data_25924 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25924 _Entry.PDB_ID 2NA2 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 25924 _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 6 6 PRO HA H 6 4.233 4.233 4.440 -0.207 25924 2 1 1 . 1 1 6 6 PRO C C 6 174.849 174.849 178.151 -3.302 25924 3 1 1 . 1 1 6 6 PRO CA C 6 62.494 62.494 62.436 0.058 25924 4 1 1 . 1 1 6 6 PRO CB C 6 30.061 30.061 32.453 -2.392 25924 5 1 1 . 1 1 7 7 ILE N N 7 118.341 118.341 122.886 -4.545 25924 6 1 1 . 1 1 7 7 ILE HA H 7 3.556 3.556 3.747 -0.191 25924 7 1 1 . 1 1 7 7 ILE C C 7 177.294 177.294 177.283 0.011 25924 8 1 1 . 1 1 7 7 ILE CA C 7 62.546 62.546 63.231 -0.685 25924 9 1 1 . 1 1 7 7 ILE CB C 7 34.984 34.984 37.721 -2.737 25924 10 1 1 . 1 1 7 7 ILE H H 7 7.420 7.420 8.742 -1.322 25924 11 1 1 . 1 1 8 8 SER N N 8 118.043 118.043 114.302 3.741 25924 12 1 1 . 1 1 8 8 SER HA H 8 4.140 4.140 3.912 0.228 25924 13 1 1 . 1 1 8 8 SER C C 8 174.216 174.216 175.839 -1.623 25924 14 1 1 . 1 1 8 8 SER CA C 8 58.686 58.686 60.831 -2.145 25924 15 1 1 . 1 1 8 8 SER CB C 8 59.913 59.913 62.523 -2.610 25924 16 1 1 . 1 1 8 8 SER H H 8 7.867 7.867 8.114 -0.247 25924 17 1 1 . 1 1 9 9 GLN N N 9 121.528 121.528 121.943 -0.415 25924 18 1 1 . 1 1 9 9 GLN HA H 9 3.894 3.894 4.009 -0.115 25924 19 1 1 . 1 1 9 9 GLN C C 9 175.750 175.750 178.058 -2.308 25924 20 1 1 . 1 1 9 9 GLN CA C 9 56.418 56.418 58.648 -2.230 25924 21 1 1 . 1 1 9 9 GLN CB C 9 26.763 26.763 28.655 -1.892 25924 22 1 1 . 1 1 9 9 GLN H H 9 8.384 8.384 7.547 0.837 25924 23 1 1 . 1 1 10 10 LEU N N 10 120.026 120.026 119.886 0.140 25924 24 1 1 . 1 1 10 10 LEU HA H 10 3.903 3.903 4.066 -0.163 25924 25 1 1 . 1 1 10 10 LEU C C 10 174.336 174.336 179.169 -4.833 25924 26 1 1 . 1 1 10 10 LEU CA C 10 55.816 55.816 57.443 -1.627 25924 27 1 1 . 1 1 10 10 LEU CB C 10 38.168 38.168 41.667 -3.499 25924 28 1 1 . 1 1 10 10 LEU H H 10 8.357 8.357 7.489 0.868 25924 29 1 1 . 1 1 11 11 GLN N N 11 116.550 116.550 116.871 -0.321 25924 30 1 1 . 1 1 11 11 GLN HA H 11 3.591 3.591 3.854 -0.263 25924 31 1 1 . 1 1 11 11 GLN C C 11 175.196 175.196 178.318 -3.122 25924 32 1 1 . 1 1 11 11 GLN CA C 11 57.729 57.729 58.185 -0.456 25924 33 1 1 . 1 1 11 11 GLN CB C 11 20.954 20.954 27.571 -6.617 25924 34 1 1 . 1 1 11 11 GLN H H 11 7.445 7.445 8.184 -0.739 25924 35 1 1 . 1 1 12 12 GLN N N 12 116.948 116.948 119.947 -2.999 25924 36 1 1 . 1 1 12 12 GLN HA H 12 3.940 3.940 4.012 -0.072 25924 37 1 1 . 1 1 12 12 GLN C C 12 176.463 176.463 178.289 -1.826 25924 38 1 1 . 1 1 12 12 GLN CA C 12 56.111 56.111 58.919 -2.808 25924 39 1 1 . 1 1 12 12 GLN CB C 12 25.406 25.406 28.428 -3.022 25924 40 1 1 . 1 1 12 12 GLN H H 12 8.159 8.159 7.763 0.396 25924 41 1 1 . 1 1 13 13 CYS N N 13 119.104 119.104 117.328 1.776 25924 42 1 1 . 1 1 13 13 CYS HA H 13 4.246 4.246 4.091 0.155 25924 43 1 1 . 1 1 13 13 CYS C C 13 174.884 174.884 176.812 -1.928 25924 44 1 1 . 1 1 13 13 CYS CA C 13 55.688 55.688 63.316 -7.628 25924 45 1 1 . 1 1 13 13 CYS CB C 13 36.819 36.819 27.325 9.494 25924 46 1 1 . 1 1 13 13 CYS H H 13 8.255 8.255 7.870 0.385 25924 47 1 1 . 1 1 14 14 CYS N N 14 119.738 119.738 119.283 0.455 25924 48 1 1 . 1 1 14 14 CYS HA H 14 3.872 3.872 4.048 -0.176 25924 49 1 1 . 1 1 14 14 CYS C C 14 174.825 174.825 176.599 -1.774 25924 50 1 1 . 1 1 14 14 CYS CA C 14 59.649 59.649 62.622 -2.973 25924 51 1 1 . 1 1 14 14 CYS CB C 14 30.799 30.799 27.013 3.786 25924 52 1 1 . 1 1 14 14 CYS H H 14 8.472 8.472 7.619 0.853 25924 53 1 1 . 1 1 15 15 LEU N N 15 120.206 120.206 119.787 0.419 25924 54 1 1 . 1 1 15 15 LEU HA H 15 4.164 4.164 3.758 0.406 25924 55 1 1 . 1 1 15 15 LEU C C 15 176.334 176.334 178.299 -1.965 25924 56 1 1 . 1 1 15 15 LEU CA C 15 55.008 55.008 58.215 -3.207 25924 57 1 1 . 1 1 15 15 LEU CB C 15 39.276 39.276 41.620 -2.344 25924 58 1 1 . 1 1 15 15 LEU H H 15 7.875 7.875 8.004 -0.129 25924 59 1 1 . 1 1 16 16 THR N N 16 111.015 111.015 109.760 1.255 25924 60 1 1 . 1 1 16 16 THR HA H 16 4.188 4.188 4.162 0.026 25924 61 1 1 . 1 1 16 16 THR C C 16 172.543 172.543 175.077 -2.534 25924 62 1 1 . 1 1 16 16 THR CA C 16 61.556 61.556 63.979 -2.423 25924 63 1 1 . 1 1 16 16 THR CB C 16 67.074 67.074 69.635 -2.561 25924 64 1 1 . 1 1 16 16 THR H H 16 7.636 7.636 7.399 0.237 25924 65 1 1 . 1 1 17 17 LEU N N 17 121.097 121.097 121.235 -0.138 25924 66 1 1 . 1 1 17 17 LEU HA H 17 4.366 4.366 3.876 0.490 25924 67 1 1 . 1 1 17 17 LEU C C 17 174.215 174.215 175.095 -0.880 25924 68 1 1 . 1 1 17 17 LEU CA C 17 52.269 52.269 55.523 -3.254 25924 69 1 1 . 1 1 17 17 LEU CB C 17 39.018 39.018 40.715 -1.697 25924 70 1 1 . 1 1 17 17 LEU H H 17 7.364 7.364 7.766 -0.402 25924 71 1 1 . 1 1 18 18 ARG N N 18 120.709 120.709 123.944 -3.235 25924 72 1 1 . 1 1 18 18 ARG HA H 18 4.371 4.371 4.285 0.086 25924 73 1 1 . 1 1 18 18 ARG C C 18 173.362 173.362 175.692 -2.330 25924 74 1 1 . 1 1 18 18 ARG CA C 18 53.709 53.709 56.660 -2.950 25924 75 1 1 . 1 1 18 18 ARG CB C 18 28.038 28.038 29.927 -1.889 25924 76 1 1 . 1 1 18 18 ARG H H 18 7.555 7.555 8.415 -0.860 25924 77 1 1 . 1 1 19 19 THR N N 19 118.668 118.668 120.253 -1.585 25924 78 1 1 . 1 1 19 19 THR HA H 19 4.387 4.387 4.499 -0.112 25924 79 1 1 . 1 1 19 19 THR C C 19 171.580 171.580 173.831 -2.251 25924 80 1 1 . 1 1 19 19 THR CA C 19 58.936 58.936 61.637 -2.701 25924 81 1 1 . 1 1 19 19 THR CB C 19 67.672 67.672 71.237 -3.565 25924 82 1 1 . 1 1 19 19 THR H H 19 8.540 8.540 8.138 0.402 25924 83 1 1 . 1 1 20 20 GLU N N 20 124.039 124.039 125.877 -1.838 25924 84 1 1 . 1 1 20 20 GLU HA H 20 4.075 4.075 4.192 -0.117 25924 85 1 1 . 1 1 20 20 GLU C C 20 174.446 174.446 177.529 -3.083 25924 86 1 1 . 1 1 20 20 GLU CA C 20 54.949 54.949 57.818 -2.869 25924 87 1 1 . 1 1 20 20 GLU CB C 20 26.872 26.872 29.538 -2.666 25924 88 1 1 . 1 1 20 20 GLU H H 20 8.586 8.586 8.752 -0.166 25924 89 1 1 . 1 1 21 21 GLY N N 21 111.169 111.169 111.291 -0.122 25924 90 1 1 . 1 1 21 21 GLY C C 21 171.105 171.105 174.143 -3.038 25924 91 1 1 . 1 1 21 21 GLY CA C 21 42.662 42.662 44.830 -2.168 25924 92 1 1 . 1 1 21 21 GLY H H 21 8.552 8.552 8.705 -0.153 25924 93 1 1 . 1 1 22 22 LYS N N 22 119.376 119.376 122.573 -3.197 25924 94 1 1 . 1 1 22 22 LYS HA H 22 4.453 4.453 4.448 0.005 25924 95 1 1 . 1 1 22 22 LYS C C 22 173.525 173.525 176.246 -2.721 25924 96 1 1 . 1 1 22 22 LYS CA C 22 52.416 52.416 55.864 -3.448 25924 97 1 1 . 1 1 22 22 LYS CB C 22 31.336 31.336 33.638 -2.302 25924 98 1 1 . 1 1 22 22 LYS H H 22 7.798 7.798 7.689 0.109 25924 99 1 1 . 1 1 23 23 GLU N N 23 122.631 122.631 124.463 -1.832 25924 100 1 1 . 1 1 23 23 GLU C C 23 172.069 172.069 175.204 -3.135 25924 101 1 1 . 1 1 23 23 GLU CA C 23 51.739 51.739 54.572 -2.833 25924 102 1 1 . 1 1 23 23 GLU CB C 23 26.486 26.486 29.005 -2.519 25924 103 1 1 . 1 1 24 24 PRO HA H 24 4.402 4.402 4.463 -0.061 25924 104 1 1 . 1 1 24 24 PRO C C 24 173.547 173.547 175.916 -2.369 25924 105 1 1 . 1 1 24 24 PRO CA C 24 60.521 60.521 63.305 -2.784 25924 106 1 1 . 1 1 24 24 PRO CB C 24 29.522 29.522 32.321 -2.799 25924 107 1 1 . 1 1 25 25 ASP N N 25 121.674 121.674 120.046 1.628 25924 108 1 1 . 1 1 25 25 ASP HA H 25 4.657 4.657 4.755 -0.098 25924 109 1 1 . 1 1 25 25 ASP C C 25 171.891 171.891 174.937 -3.046 25924 110 1 1 . 1 1 25 25 ASP CA C 25 53.718 53.718 53.655 0.063 25924 111 1 1 . 1 1 25 25 ASP CB C 25 40.677 40.677 43.644 -2.966 25924 112 1 1 . 1 1 25 25 ASP H H 25 8.232 8.232 8.496 -0.264 25924 113 1 1 . 1 1 26 26 ILE N N 26 116.402 116.402 122.761 -6.359 25924 114 1 1 . 1 1 26 26 ILE C C 26 171.291 171.291 173.830 -2.539 25924 115 1 1 . 1 1 26 26 ILE CA C 26 55.315 55.315 58.368 -3.053 25924 116 1 1 . 1 1 26 26 ILE CB C 26 37.365 37.365 40.372 -3.007 25924 117 1 1 . 1 1 26 26 ILE H H 26 8.108 8.108 8.251 -0.143 25924 118 1 1 . 1 1 27 27 PRO HA H 27 4.723 4.723 4.687 0.036 25924 119 1 1 . 1 1 27 27 PRO C C 27 172.234 172.234 175.276 -3.042 25924 120 1 1 . 1 1 27 27 PRO CA C 27 60.676 60.676 62.353 -1.677 25924 121 1 1 . 1 1 27 27 PRO CB C 27 29.510 29.510 32.379 -2.869 25924 122 1 1 . 1 1 28 28 LEU N N 28 124.504 124.504 121.934 2.570 25924 123 1 1 . 1 1 28 28 LEU HA H 28 4.712 4.712 4.540 0.172 25924 124 1 1 . 1 1 28 28 LEU C C 28 172.463 172.463 175.125 -2.662 25924 125 1 1 . 1 1 28 28 LEU CA C 28 50.999 50.999 53.999 -3.000 25924 126 1 1 . 1 1 28 28 LEU CB C 28 42.433 42.433 45.238 -2.805 25924 127 1 1 . 1 1 28 28 LEU H H 28 8.477 8.477 7.655 0.822 25924 128 1 1 . 1 1 29 29 TYR N N 29 123.137 123.137 122.695 0.442 25924 129 1 1 . 1 1 29 29 TYR HA H 29 5.285 5.285 4.770 0.515 25924 130 1 1 . 1 1 29 29 TYR C C 29 173.614 173.614 174.464 -0.850 25924 131 1 1 . 1 1 29 29 TYR CA C 29 54.959 54.959 56.538 -1.579 25924 132 1 1 . 1 1 29 29 TYR CB C 29 37.328 37.328 39.135 -1.807 25924 133 1 1 . 1 1 29 29 TYR H H 29 8.907 8.907 7.973 0.934 25924 134 1 1 . 1 1 30 30 LYS N N 30 122.426 122.426 124.689 -2.263 25924 135 1 1 . 1 1 30 30 LYS C C 30 172.500 172.500 175.432 -2.932 25924 136 1 1 . 1 1 30 30 LYS CA C 30 52.399 52.399 54.952 -2.553 25924 137 1 1 . 1 1 30 30 LYS CB C 30 34.086 34.086 36.163 -2.078 25924 138 1 1 . 1 1 30 30 LYS H H 30 9.344 9.344 8.588 0.756 25924 139 1 1 . 1 1 31 31 THR HA H 31 4.510 4.510 4.240 0.270 25924 140 1 1 . 1 1 31 31 THR CA C 31 60.787 60.787 63.286 -2.499 25924 141 1 1 . 1 1 32 32 LEU N N 32 129.198 129.198 127.723 1.475 25924 142 1 1 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.438 0.002 25924 143 1 1 . 1 1 32 32 LEU C C 32 174.368 174.368 176.793 -2.425 25924 144 1 1 . 1 1 32 32 LEU CA C 32 52.683 52.683 56.317 -3.634 25924 145 1 1 . 1 1 32 32 LEU CB C 32 40.207 40.207 43.316 -3.109 25924 146 1 1 . 1 1 32 32 LEU H H 32 9.019 9.019 9.198 -0.179 25924 147 1 1 . 1 1 33 33 GLN N N 33 115.992 115.992 113.636 2.356 25924 148 1 1 . 1 1 33 33 GLN C C 33 171.615 171.615 173.729 -2.114 25924 149 1 1 . 1 1 33 33 GLN CA C 33 53.264 53.264 55.224 -1.960 25924 150 1 1 . 1 1 33 33 GLN CB C 33 28.844 28.844 31.910 -3.066 25924 151 1 1 . 1 1 33 33 GLN H H 33 7.689 7.689 7.907 -0.218 25924 152 1 1 . 1 1 34 34 THR N N 34 119.608 119.608 114.834 4.774 25924 153 1 1 . 1 1 34 34 THR HA H 34 4.489 4.489 5.243 -0.754 25924 154 1 1 . 1 1 34 34 THR C C 34 170.622 170.622 173.903 -3.281 25924 155 1 1 . 1 1 34 34 THR CA C 34 59.144 59.144 59.687 -0.543 25924 156 1 1 . 1 1 34 34 THR CB C 34 67.805 67.805 70.491 -2.686 25924 157 1 1 . 1 1 34 34 THR H H 34 8.345 8.345 8.355 -0.010 25924 158 1 1 . 1 1 35 35 VAL N N 35 120.795 120.795 116.304 4.491 25924 159 1 1 . 1 1 35 35 VAL HA H 35 4.492 4.492 4.470 0.022 25924 160 1 1 . 1 1 35 35 VAL C C 35 172.242 172.242 175.343 -3.101 25924 161 1 1 . 1 1 35 35 VAL CA C 35 57.697 57.697 59.785 -2.088 25924 162 1 1 . 1 1 35 35 VAL CB C 35 32.804 32.804 34.606 -1.802 25924 163 1 1 . 1 1 35 35 VAL H H 35 8.134 8.134 8.252 -0.118 25924 164 1 1 . 1 1 36 36 GLY N N 36 110.608 110.608 107.515 3.093 25924 165 1 1 . 1 1 36 36 GLY C C 36 169.453 169.453 173.611 -4.158 25924 166 1 1 . 1 1 36 36 GLY CA C 36 41.094 41.094 45.387 -4.293 25924 167 1 1 . 1 1 36 36 GLY H H 36 8.229 8.229 8.710 -0.481 25924 168 1 1 . 1 1 39 39 HIS HA H 39 4.631 4.631 4.668 -0.037 25924 169 1 1 . 1 1 39 39 HIS C C 39 172.140 172.140 174.364 -2.224 25924 170 1 1 . 1 1 39 39 HIS CA C 39 53.584 53.584 55.516 -1.932 25924 171 1 1 . 1 1 39 39 HIS CB C 39 27.736 27.736 30.881 -3.145 25924 172 1 1 . 1 1 40 40 ALA N N 40 128.155 128.155 124.810 3.345 25924 173 1 1 . 1 1 40 40 ALA HA H 40 4.422 4.422 4.483 -0.061 25924 174 1 1 . 1 1 40 40 ALA C C 40 171.693 171.693 177.006 -5.313 25924 175 1 1 . 1 1 40 40 ALA CA C 40 48.979 48.979 51.931 -2.952 25924 176 1 1 . 1 1 40 40 ALA CB C 40 15.335 15.335 19.651 -4.316 25924 177 1 1 . 1 1 40 40 ALA H H 40 7.582 7.582 8.400 -0.818 25924 178 1 1 . 1 1 41 41 ARG N N 41 122.997 122.997 122.580 0.417 25924 179 1 1 . 1 1 41 41 ARG HA H 41 4.467 4.467 4.231 0.236 25924 180 1 1 . 1 1 41 41 ARG C C 41 174.236 174.236 176.075 -1.839 25924 181 1 1 . 1 1 41 41 ARG CA C 41 52.715 52.715 55.926 -3.211 25924 182 1 1 . 1 1 41 41 ARG CB C 41 29.506 29.506 30.980 -1.474 25924 183 1 1 . 1 1 41 41 ARG H H 41 8.090 8.090 8.596 -0.506 25924 184 1 1 . 1 1 42 42 THR N N 42 116.202 116.202 113.425 2.777 25924 185 1 1 . 1 1 42 42 THR HA H 42 4.448 4.448 4.944 -0.496 25924 186 1 1 . 1 1 42 42 THR C C 42 171.192 171.192 173.406 -2.214 25924 187 1 1 . 1 1 42 42 THR CA C 42 59.750 59.750 60.087 -0.337 25924 188 1 1 . 1 1 42 42 THR CB C 42 67.917 67.917 71.558 -3.641 25924 189 1 1 . 1 1 42 42 THR H H 42 8.572 8.572 8.080 0.492 25924 190 1 1 . 1 1 43 43 TYR N N 43 127.687 127.687 121.974 5.713 25924 191 1 1 . 1 1 43 43 TYR HA H 43 4.719 4.719 4.777 -0.058 25924 192 1 1 . 1 1 43 43 TYR C C 43 172.160 172.160 175.097 -2.937 25924 193 1 1 . 1 1 43 43 TYR CA C 43 54.921 54.921 57.063 -2.142 25924 194 1 1 . 1 1 43 43 TYR CB C 43 38.220 38.220 41.451 -3.231 25924 195 1 1 . 1 1 43 43 TYR H H 43 9.255 9.255 9.411 -0.156 25924 196 1 1 . 1 1 44 44 THR N N 44 117.178 117.178 120.161 -2.983 25924 197 1 1 . 1 1 44 44 THR HA H 44 5.162 5.162 4.805 0.357 25924 198 1 1 . 1 1 44 44 THR C C 44 171.330 171.330 172.758 -1.428 25924 199 1 1 . 1 1 44 44 THR CA C 44 59.299 59.299 61.830 -2.531 25924 200 1 1 . 1 1 44 44 THR CB C 44 67.619 67.619 70.460 -2.841 25924 201 1 1 . 1 1 44 44 THR H H 44 8.699 8.699 8.961 -0.262 25924 202 1 1 . 1 1 45 45 VAL N N 45 128.199 128.199 126.658 1.541 25924 203 1 1 . 1 1 45 45 VAL HA H 45 4.177 4.177 4.632 -0.455 25924 204 1 1 . 1 1 45 45 VAL C C 45 169.635 169.635 172.742 -3.107 25924 205 1 1 . 1 1 45 45 VAL CA C 45 57.558 57.558 59.358 -1.800 25924 206 1 1 . 1 1 45 45 VAL CB C 45 32.829 32.829 35.288 -2.459 25924 207 1 1 . 1 1 45 45 VAL H H 45 9.331 9.331 8.353 0.978 25924 208 1 1 . 1 1 46 46 ALA N N 46 126.929 126.929 129.067 -2.138 25924 209 1 1 . 1 1 46 46 ALA HA H 46 5.260 5.260 5.048 0.212 25924 210 1 1 . 1 1 46 46 ALA C C 46 171.973 171.973 175.883 -3.910 25924 211 1 1 . 1 1 46 46 ALA CA C 46 46.865 46.865 50.890 -4.025 25924 212 1 1 . 1 1 46 46 ALA CB C 46 21.198 21.198 21.765 -0.567 25924 213 1 1 . 1 1 46 46 ALA H H 46 8.961 8.961 8.522 0.439 25924 214 1 1 . 1 1 47 47 VAL N N 47 118.914 118.914 124.948 -6.034 25924 215 1 1 . 1 1 47 47 VAL HA H 47 4.961 4.961 4.242 0.719 25924 216 1 1 . 1 1 47 47 VAL C C 47 170.285 170.285 174.947 -4.662 25924 217 1 1 . 1 1 47 47 VAL CA C 47 55.384 55.384 61.925 -6.541 25924 218 1 1 . 1 1 47 47 VAL CB C 47 32.098 32.098 32.955 -0.857 25924 219 1 1 . 1 1 47 47 VAL H H 47 8.248 8.248 9.058 -0.810 25924 220 1 1 . 1 1 48 48 TYR N N 48 126.815 126.815 124.691 2.124 25924 221 1 1 . 1 1 48 48 TYR HA H 48 5.217 5.217 5.206 0.011 25924 222 1 1 . 1 1 48 48 TYR C C 48 172.504 172.504 174.312 -1.808 25924 223 1 1 . 1 1 48 48 TYR CA C 48 53.610 53.610 54.969 -1.359 25924 224 1 1 . 1 1 48 48 TYR CB C 48 40.339 40.339 40.786 -0.447 25924 225 1 1 . 1 1 48 48 TYR H H 48 9.274 9.274 7.865 1.409 25924 226 1 1 . 1 1 49 49 PHE N N 49 119.234 119.234 123.829 -4.595 25924 227 1 1 . 1 1 49 49 PHE HA H 49 4.766 4.766 4.849 -0.083 25924 228 1 1 . 1 1 49 49 PHE C C 49 172.390 172.390 175.263 -2.873 25924 229 1 1 . 1 1 49 49 PHE CA C 49 54.128 54.128 57.416 -3.288 25924 230 1 1 . 1 1 49 49 PHE CB C 49 40.240 40.240 42.978 -2.738 25924 231 1 1 . 1 1 49 49 PHE H H 49 9.024 9.024 9.166 -0.142 25924 232 1 1 . 1 1 50 50 LYS N N 50 128.064 128.064 127.369 0.695 25924 233 1 1 . 1 1 50 50 LYS HA H 50 3.502 3.502 3.608 -0.106 25924 234 1 1 . 1 1 50 50 LYS C C 50 173.659 173.659 175.994 -2.335 25924 235 1 1 . 1 1 50 50 LYS CA C 50 54.906 54.906 57.222 -2.316 25924 236 1 1 . 1 1 50 50 LYS CB C 50 26.726 26.726 31.072 -4.346 25924 237 1 1 . 1 1 50 50 LYS H H 50 9.035 9.035 8.664 0.371 25924 238 1 1 . 1 1 51 51 GLY N N 51 104.286 104.286 102.940 1.346 25924 239 1 1 . 1 1 51 51 GLY C C 51 170.970 170.970 174.110 -3.140 25924 240 1 1 . 1 1 51 51 GLY CA C 51 42.553 42.553 44.937 -2.384 25924 241 1 1 . 1 1 51 51 GLY H H 51 8.893 8.893 8.555 0.338 25924 242 1 1 . 1 1 52 52 GLU N N 52 121.087 121.087 120.330 0.757 25924 243 1 1 . 1 1 52 52 GLU HA H 52 4.617 4.617 4.758 -0.141 25924 244 1 1 . 1 1 52 52 GLU C C 52 172.477 172.477 175.623 -3.146 25924 245 1 1 . 1 1 52 52 GLU CA C 52 51.709 51.709 54.528 -2.819 25924 246 1 1 . 1 1 52 52 GLU CB C 52 29.248 29.248 32.797 -3.549 25924 247 1 1 . 1 1 52 52 GLU H H 52 7.710 7.710 8.237 -0.527 25924 248 1 1 . 1 1 53 53 ARG N N 53 126.720 126.720 123.279 3.441 25924 249 1 1 . 1 1 53 53 ARG C C 53 173.977 173.977 176.089 -2.112 25924 250 1 1 . 1 1 53 53 ARG CA C 53 54.250 54.250 57.086 -2.836 25924 251 1 1 . 1 1 53 53 ARG CB C 53 27.373 27.373 30.135 -2.762 25924 252 1 1 . 1 1 53 53 ARG H H 53 8.919 8.919 8.956 -0.037 25924 253 1 1 . 1 1 54 54 ILE N N 54 122.215 122.215 122.749 -0.534 25924 254 1 1 . 1 1 54 54 ILE HA H 54 4.549 4.549 4.375 0.174 25924 255 1 1 . 1 1 54 54 ILE C C 54 172.161 172.161 173.829 -1.668 25924 256 1 1 . 1 1 54 54 ILE CA C 54 58.807 58.807 60.798 -1.991 25924 257 1 1 . 1 1 54 54 ILE CB C 54 37.207 37.207 40.045 -2.838 25924 258 1 1 . 1 1 54 54 ILE H H 54 8.920 8.920 8.765 0.155 25924 259 1 1 . 1 1 55 55 GLY N N 55 107.034 107.034 104.056 2.978 25924 260 1 1 . 1 1 55 55 GLY C C 55 169.649 169.649 171.323 -1.674 25924 261 1 1 . 1 1 55 55 GLY CA C 55 42.712 42.712 45.151 -2.439 25924 262 1 1 . 1 1 55 55 GLY H H 55 7.233 7.233 7.606 -0.373 25924 263 1 1 . 1 1 56 56 CYS N N 56 121.361 121.361 120.879 0.482 25924 264 1 1 . 1 1 56 56 CYS HA H 56 5.264 5.264 5.309 -0.045 25924 265 1 1 . 1 1 56 56 CYS C C 56 169.550 169.550 173.718 -4.168 25924 266 1 1 . 1 1 56 56 CYS CA C 56 53.638 53.638 57.798 -4.160 25924 267 1 1 . 1 1 56 56 CYS CB C 56 40.291 40.291 30.605 9.686 25924 268 1 1 . 1 1 56 56 CYS H H 56 9.739 9.739 8.077 1.662 25924 269 1 1 . 1 1 57 57 GLY N N 57 113.662 113.662 112.766 0.896 25924 270 1 1 . 1 1 57 57 GLY C C 57 168.036 168.036 171.397 -3.361 25924 271 1 1 . 1 1 57 57 GLY CA C 57 41.978 41.978 44.511 -2.534 25924 272 1 1 . 1 1 57 57 GLY H H 57 9.408 9.408 8.521 0.887 25924 273 1 1 . 1 1 58 58 LYS N N 58 117.565 117.565 120.187 -2.622 25924 274 1 1 . 1 1 58 58 LYS HA H 58 5.981 5.981 5.454 0.527 25924 275 1 1 . 1 1 58 58 LYS C C 58 174.185 174.185 175.290 -1.105 25924 276 1 1 . 1 1 58 58 LYS CA C 58 51.418 51.418 54.690 -3.272 25924 277 1 1 . 1 1 58 58 LYS CB C 58 34.533 34.533 35.916 -1.383 25924 278 1 1 . 1 1 58 58 LYS H H 58 8.427 8.427 8.357 0.070 25924 279 1 1 . 1 1 59 59 GLY N N 59 106.060 106.060 109.381 -3.321 25924 280 1 1 . 1 1 59 59 GLY C C 59 168.361 168.361 171.995 -3.634 25924 281 1 1 . 1 1 59 59 GLY CA C 59 43.281 43.281 45.195 -1.914 25924 282 1 1 . 1 1 59 59 GLY H H 59 8.534 8.534 8.223 0.311 25924 283 1 1 . 1 1 60 60 PRO HA H 60 5.242 5.242 4.861 0.381 25924 284 1 1 . 1 1 60 60 PRO C C 60 172.019 172.019 175.995 -3.976 25924 285 1 1 . 1 1 60 60 PRO CA C 60 61.161 61.161 63.367 -2.206 25924 286 1 1 . 1 1 60 60 PRO CB C 60 29.185 29.185 32.432 -3.247 25924 287 1 1 . 1 1 61 61 SER N N 61 110.749 110.749 110.351 0.398 25924 288 1 1 . 1 1 61 61 SER C C 61 170.857 170.857 174.751 -3.894 25924 289 1 1 . 1 1 61 61 SER CA C 61 53.387 53.387 56.640 -3.253 25924 290 1 1 . 1 1 61 61 SER CB C 61 63.795 63.795 66.333 -2.538 25924 291 1 1 . 1 1 61 61 SER H H 61 7.289 7.289 7.377 -0.088 25924 292 1 1 . 1 1 62 62 LYS HA H 62 3.155 3.155 3.981 -0.826 25924 293 1 1 . 1 1 62 62 LYS C C 62 175.308 175.308 178.017 -2.709 25924 294 1 1 . 1 1 62 62 LYS CA C 62 57.915 57.915 59.902 -1.987 25924 295 1 1 . 1 1 62 62 LYS CB C 62 28.989 28.989 32.043 -3.054 25924 296 1 1 . 1 1 63 63 LYS N N 63 118.188 118.188 118.417 -0.229 25924 297 1 1 . 1 1 63 63 LYS HA H 63 3.709 3.709 3.952 -0.243 25924 298 1 1 . 1 1 63 63 LYS C C 63 175.856 175.856 179.256 -3.400 25924 299 1 1 . 1 1 63 63 LYS CA C 63 57.097 57.097 59.809 -2.712 25924 300 1 1 . 1 1 63 63 LYS CB C 63 29.746 29.746 32.120 -2.374 25924 301 1 1 . 1 1 63 63 LYS H H 63 8.246 8.246 8.298 -0.052 25924 302 1 1 . 1 1 64 64 GLN N N 64 116.733 116.733 118.578 -1.845 25924 303 1 1 . 1 1 64 64 GLN HA H 64 3.927 3.927 4.087 -0.160 25924 304 1 1 . 1 1 64 64 GLN C C 64 176.277 176.277 178.441 -2.164 25924 305 1 1 . 1 1 64 64 GLN CA C 64 56.240 56.240 58.530 -2.290 25924 306 1 1 . 1 1 64 64 GLN CB C 64 26.506 26.506 28.800 -2.294 25924 307 1 1 . 1 1 64 64 GLN H H 64 7.701 7.701 7.628 0.073 25924 308 1 1 . 1 1 65 65 ALA N N 65 123.381 123.381 122.853 0.528 25924 309 1 1 . 1 1 65 65 ALA HA H 65 3.726 3.726 4.054 -0.328 25924 310 1 1 . 1 1 65 65 ALA C C 65 175.750 175.750 179.127 -3.377 25924 311 1 1 . 1 1 65 65 ALA CA C 65 53.009 53.009 55.254 -2.245 25924 312 1 1 . 1 1 65 65 ALA CB C 65 16.089 16.089 18.423 -2.334 25924 313 1 1 . 1 1 65 65 ALA H H 65 7.933 7.933 8.402 -0.469 25924 314 1 1 . 1 1 66 66 LYS N N 66 118.715 118.715 119.223 -0.508 25924 315 1 1 . 1 1 66 66 LYS HA H 66 3.626 3.626 3.962 -0.336 25924 316 1 1 . 1 1 66 66 LYS C C 66 175.275 175.275 178.426 -3.151 25924 317 1 1 . 1 1 66 66 LYS CA C 66 57.658 57.658 59.129 -1.471 25924 318 1 1 . 1 1 66 66 LYS CB C 66 30.268 30.268 32.106 -1.838 25924 319 1 1 . 1 1 66 66 LYS H H 66 8.353 8.353 8.449 -0.096 25924 320 1 1 . 1 1 67 67 MET N N 67 117.211 117.211 120.174 -2.963 25924 321 1 1 . 1 1 67 67 MET HA H 67 3.821 3.821 4.151 -0.330 25924 322 1 1 . 1 1 67 67 MET C C 67 175.660 175.660 178.324 -2.664 25924 323 1 1 . 1 1 67 67 MET CA C 67 56.845 56.845 58.084 -1.239 25924 324 1 1 . 1 1 67 67 MET CB C 67 29.950 29.950 31.908 -1.958 25924 325 1 1 . 1 1 67 67 MET H H 67 8.011 8.011 7.771 0.240 25924 326 1 1 . 1 1 68 68 GLY N N 68 105.985 105.985 106.290 -0.305 25924 327 1 1 . 1 1 68 68 GLY C C 68 173.545 173.545 175.451 -1.906 25924 328 1 1 . 1 1 68 68 GLY CA C 68 44.643 44.643 46.861 -2.218 25924 329 1 1 . 1 1 68 68 GLY H H 68 8.094 8.094 8.008 0.086 25924 330 1 1 . 1 1 69 69 ALA N N 69 127.579 127.579 124.925 2.654 25924 331 1 1 . 1 1 69 69 ALA HA H 69 3.841 3.841 4.070 -0.229 25924 332 1 1 . 1 1 69 69 ALA C C 69 175.840 175.840 179.070 -3.230 25924 333 1 1 . 1 1 69 69 ALA CA C 69 52.512 52.512 54.985 -2.473 25924 334 1 1 . 1 1 69 69 ALA CB C 69 15.069 15.069 18.416 -3.347 25924 335 1 1 . 1 1 69 69 ALA H H 69 8.437 8.437 7.950 0.486 25924 336 1 1 . 1 1 70 70 ALA N N 70 119.968 119.968 121.233 -1.265 25924 337 1 1 . 1 1 70 70 ALA HA H 70 4.003 4.003 3.907 0.096 25924 338 1 1 . 1 1 70 70 ALA C C 70 176.847 176.847 179.137 -2.290 25924 339 1 1 . 1 1 70 70 ALA CA C 70 52.759 52.759 54.884 -2.125 25924 340 1 1 . 1 1 70 70 ALA CB C 70 15.297 15.297 18.312 -3.015 25924 341 1 1 . 1 1 70 70 ALA H H 70 8.219 8.219 8.218 0.001 25924 342 1 1 . 1 1 71 71 MET N N 71 115.754 115.754 118.062 -2.308 25924 343 1 1 . 1 1 71 71 MET HA H 71 4.010 4.010 4.033 -0.023 25924 344 1 1 . 1 1 71 71 MET C C 71 175.596 175.596 177.547 -1.951 25924 345 1 1 . 1 1 71 71 MET CA C 71 56.613 56.613 58.871 -2.258 25924 346 1 1 . 1 1 71 71 MET CB C 71 30.407 30.407 32.582 -2.175 25924 347 1 1 . 1 1 71 71 MET H H 71 8.294 8.294 7.981 0.313 25924 348 1 1 . 1 1 72 72 ASP N N 72 120.287 120.287 120.270 0.017 25924 349 1 1 . 1 1 72 72 ASP HA H 72 4.389 4.389 4.365 0.024 25924 350 1 1 . 1 1 72 72 ASP C C 72 175.052 175.052 178.117 -3.065 25924 351 1 1 . 1 1 72 72 ASP CA C 72 54.995 54.995 57.123 -2.128 25924 352 1 1 . 1 1 72 72 ASP CB C 72 40.461 40.461 40.750 -0.289 25924 353 1 1 . 1 1 72 72 ASP H H 72 8.045 8.045 8.199 -0.154 25924 354 1 1 . 1 1 73 73 ALA N N 73 119.640 119.640 122.589 -2.949 25924 355 1 1 . 1 1 73 73 ALA HA H 73 4.188 4.188 4.254 -0.066 25924 356 1 1 . 1 1 73 73 ALA C C 73 177.251 177.251 179.687 -2.436 25924 357 1 1 . 1 1 73 73 ALA CA C 73 52.041 52.041 54.840 -2.799 25924 358 1 1 . 1 1 73 73 ALA CB C 73 16.473 16.473 18.602 -2.129 25924 359 1 1 . 1 1 73 73 ALA H H 73 8.028 8.028 7.563 0.465 25924 360 1 1 . 1 1 74 74 LEU N N 74 117.010 117.010 119.563 -2.553 25924 361 1 1 . 1 1 74 74 LEU HA H 74 3.992 3.992 3.870 0.122 25924 362 1 1 . 1 1 74 74 LEU C C 74 176.643 176.643 179.009 -2.366 25924 363 1 1 . 1 1 74 74 LEU CA C 74 55.519 55.519 57.916 -2.397 25924 364 1 1 . 1 1 74 74 LEU CB C 74 39.698 39.698 42.085 -2.387 25924 365 1 1 . 1 1 74 74 LEU H H 74 8.397 8.397 7.688 0.709 25924 366 1 1 . 1 1 75 75 GLU N N 75 117.709 117.709 118.595 -0.886 25924 367 1 1 . 1 1 75 75 GLU HA H 75 4.109 4.109 4.066 0.043 25924 368 1 1 . 1 1 75 75 GLU C C 75 175.976 175.976 178.660 -2.684 25924 369 1 1 . 1 1 75 75 GLU CA C 75 55.916 55.916 58.973 -3.057 25924 370 1 1 . 1 1 75 75 GLU CB C 75 27.425 27.425 29.681 -2.256 25924 371 1 1 . 1 1 75 75 GLU H H 75 7.812 7.812 8.172 -0.360 25924 372 1 1 . 1 1 76 76 LYS N N 76 117.440 117.440 116.173 1.267 25924 373 1 1 . 1 1 76 76 LYS HA H 76 4.140 4.140 4.240 -0.100 25924 374 1 1 . 1 1 76 76 LYS C C 76 174.882 174.882 176.305 -1.423 25924 375 1 1 . 1 1 76 76 LYS CA C 76 55.187 55.187 56.743 -1.556 25924 376 1 1 . 1 1 76 76 LYS CB C 76 31.270 31.270 33.269 -1.999 25924 377 1 1 . 1 1 76 76 LYS H H 76 7.892 7.892 7.569 0.323 25924 378 1 1 . 1 1 77 77 TYR N N 77 120.225 120.225 118.215 2.010 25924 379 1 1 . 1 1 77 77 TYR HA H 77 4.044 4.044 4.147 -0.103 25924 380 1 1 . 1 1 77 77 TYR C C 77 172.041 172.041 174.021 -1.980 25924 381 1 1 . 1 1 77 77 TYR CA C 77 56.878 56.878 58.842 -1.964 25924 382 1 1 . 1 1 77 77 TYR CB C 77 35.852 35.852 37.831 -1.980 25924 383 1 1 . 1 1 77 77 TYR H H 77 8.149 8.149 7.567 0.582 25924 384 1 1 . 1 1 78 78 ASN N N 78 121.088 121.088 123.679 -2.591 25924 385 1 1 . 1 1 78 78 ASN HA H 78 4.537 4.537 4.622 -0.085 25924 386 1 1 . 1 1 78 78 ASN C C 78 171.116 171.116 174.839 -3.723 25924 387 1 1 . 1 1 78 78 ASN CA C 78 49.866 49.866 52.725 -2.859 25924 388 1 1 . 1 1 78 78 ASN CB C 78 35.302 35.302 38.836 -3.534 25924 389 1 1 . 1 1 78 78 ASN H H 78 7.436 7.436 7.838 -0.402 25924 390 1 1 . 1 1 79 79 PHE N N 79 122.211 122.211 118.989 3.222 25924 391 1 1 . 1 1 79 79 PHE C C 79 171.220 171.220 173.654 -2.434 25924 392 1 1 . 1 1 79 79 PHE CA C 79 54.195 54.195 57.176 -2.981 25924 393 1 1 . 1 1 79 79 PHE CB C 79 35.969 35.969 38.116 -2.147 25924 394 1 1 . 1 1 79 79 PHE H H 79 7.901 7.901 8.540 -0.639 25924 395 1 1 . 1 1 80 80 PRO HA H 80 4.367 4.367 4.479 -0.112 25924 396 1 1 . 1 1 80 80 PRO C C 80 173.721 173.721 175.487 -1.766 25924 397 1 1 . 1 1 80 80 PRO CA C 80 60.634 60.634 63.544 -2.910 25924 398 1 1 . 1 1 80 80 PRO CB C 80 29.356 29.356 32.376 -3.020 25924 399 1 1 . 1 1 81 81 GLN N N 81 120.432 120.432 121.881 -1.449 25924 400 1 1 . 1 1 81 81 GLN HA H 81 4.232 4.232 4.329 -0.097 25924 401 1 1 . 1 1 81 81 GLN C C 81 172.475 172.475 174.364 -1.889 25924 402 1 1 . 1 1 81 81 GLN CA C 81 53.216 53.216 55.434 -2.219 25924 403 1 1 . 1 1 81 81 GLN CB C 81 26.823 26.823 30.158 -3.335 25924 404 1 1 . 1 1 81 81 GLN H H 81 8.347 8.347 8.137 0.210 25924 405 1 2 . 1 1 6 6 PRO HA H 6 4.233 4.233 4.581 -0.348 25924 406 1 2 . 1 1 6 6 PRO C C 6 174.849 174.849 177.642 -2.793 25924 407 1 2 . 1 1 6 6 PRO CA C 6 62.494 62.494 62.303 0.191 25924 408 1 2 . 1 1 6 6 PRO CB C 6 30.061 30.061 32.813 -2.752 25924 409 1 2 . 1 1 7 7 ILE N N 7 118.341 118.341 123.737 -5.396 25924 410 1 2 . 1 1 7 7 ILE HA H 7 3.556 3.556 3.797 -0.241 25924 411 1 2 . 1 1 7 7 ILE C C 7 177.294 177.294 177.496 -0.202 25924 412 1 2 . 1 1 7 7 ILE CA C 7 62.546 62.546 63.324 -0.778 25924 413 1 2 . 1 1 7 7 ILE CB C 7 34.984 34.984 37.632 -2.648 25924 414 1 2 . 1 1 7 7 ILE H H 7 7.420 7.420 8.716 -1.296 25924 415 1 2 . 1 1 8 8 SER N N 8 118.043 118.043 114.737 3.306 25924 416 1 2 . 1 1 8 8 SER HA H 8 4.140 4.140 3.967 0.173 25924 417 1 2 . 1 1 8 8 SER C C 8 174.216 174.216 176.458 -2.242 25924 418 1 2 . 1 1 8 8 SER CA C 8 58.686 58.686 61.608 -2.921 25924 419 1 2 . 1 1 8 8 SER CB C 8 59.913 59.913 62.652 -2.739 25924 420 1 2 . 1 1 8 8 SER H H 8 7.867 7.867 8.370 -0.503 25924 421 1 2 . 1 1 9 9 GLN N N 9 121.528 121.528 119.567 1.961 25924 422 1 2 . 1 1 9 9 GLN HA H 9 3.894 3.894 4.027 -0.133 25924 423 1 2 . 1 1 9 9 GLN C C 9 175.750 175.750 178.350 -2.600 25924 424 1 2 . 1 1 9 9 GLN CA C 9 56.418 56.418 58.325 -1.907 25924 425 1 2 . 1 1 9 9 GLN CB C 9 26.763 26.763 28.428 -1.665 25924 426 1 2 . 1 1 9 9 GLN H H 9 8.384 8.384 7.605 0.779 25924 427 1 2 . 1 1 10 10 LEU N N 10 120.026 120.026 119.936 0.090 25924 428 1 2 . 1 1 10 10 LEU HA H 10 3.903 3.903 4.142 -0.239 25924 429 1 2 . 1 1 10 10 LEU C C 10 174.336 174.336 178.994 -4.658 25924 430 1 2 . 1 1 10 10 LEU CA C 10 55.816 55.816 56.498 -0.682 25924 431 1 2 . 1 1 10 10 LEU CB C 10 38.168 38.168 42.056 -3.888 25924 432 1 2 . 1 1 10 10 LEU H H 10 8.357 8.357 7.833 0.524 25924 433 1 2 . 1 1 11 11 GLN N N 11 116.550 116.550 119.154 -2.604 25924 434 1 2 . 1 1 11 11 GLN HA H 11 3.591 3.591 3.768 -0.177 25924 435 1 2 . 1 1 11 11 GLN C C 11 175.196 175.196 178.069 -2.873 25924 436 1 2 . 1 1 11 11 GLN CA C 11 57.729 57.729 58.869 -1.140 25924 437 1 2 . 1 1 11 11 GLN CB C 11 20.954 20.954 28.495 -7.541 25924 438 1 2 . 1 1 11 11 GLN H H 11 7.445 7.445 8.544 -1.099 25924 439 1 2 . 1 1 12 12 GLN N N 12 116.948 116.948 119.021 -2.073 25924 440 1 2 . 1 1 12 12 GLN HA H 12 3.940 3.940 4.012 -0.072 25924 441 1 2 . 1 1 12 12 GLN C C 12 176.463 176.463 177.957 -1.494 25924 442 1 2 . 1 1 12 12 GLN CA C 12 56.111 56.111 58.914 -2.803 25924 443 1 2 . 1 1 12 12 GLN CB C 12 25.406 25.406 27.918 -2.512 25924 444 1 2 . 1 1 12 12 GLN H H 12 8.159 8.159 7.812 0.347 25924 445 1 2 . 1 1 13 13 CYS N N 13 119.104 119.104 118.677 0.427 25924 446 1 2 . 1 1 13 13 CYS HA H 13 4.246 4.246 4.172 0.074 25924 447 1 2 . 1 1 13 13 CYS C C 13 174.884 174.884 177.086 -2.202 25924 448 1 2 . 1 1 13 13 CYS CA C 13 55.688 55.688 62.823 -7.135 25924 449 1 2 . 1 1 13 13 CYS CB C 13 36.819 36.819 26.774 10.045 25924 450 1 2 . 1 1 13 13 CYS H H 13 8.255 8.255 8.053 0.202 25924 451 1 2 . 1 1 14 14 CYS N N 14 119.738 119.738 118.905 0.833 25924 452 1 2 . 1 1 14 14 CYS HA H 14 3.872 3.872 4.078 -0.206 25924 453 1 2 . 1 1 14 14 CYS C C 14 174.825 174.825 177.196 -2.371 25924 454 1 2 . 1 1 14 14 CYS CA C 14 59.649 59.649 62.272 -2.623 25924 455 1 2 . 1 1 14 14 CYS CB C 14 30.799 30.799 27.021 3.778 25924 456 1 2 . 1 1 14 14 CYS H H 14 8.472 8.472 7.490 0.982 25924 457 1 2 . 1 1 15 15 LEU N N 15 120.206 120.206 119.529 0.677 25924 458 1 2 . 1 1 15 15 LEU HA H 15 4.164 4.164 4.285 -0.121 25924 459 1 2 . 1 1 15 15 LEU C C 15 176.334 176.334 178.543 -2.209 25924 460 1 2 . 1 1 15 15 LEU CA C 15 55.008 55.008 57.645 -2.637 25924 461 1 2 . 1 1 15 15 LEU CB C 15 39.276 39.276 41.842 -2.566 25924 462 1 2 . 1 1 15 15 LEU H H 15 7.875 7.875 7.918 -0.043 25924 463 1 2 . 1 1 16 16 THR N N 16 111.015 111.015 111.717 -0.702 25924 464 1 2 . 1 1 16 16 THR HA H 16 4.188 4.188 4.247 -0.059 25924 465 1 2 . 1 1 16 16 THR C C 16 172.543 172.543 174.366 -1.823 25924 466 1 2 . 1 1 16 16 THR CA C 16 61.556 61.556 62.420 -0.865 25924 467 1 2 . 1 1 16 16 THR CB C 16 67.074 67.074 69.454 -2.380 25924 468 1 2 . 1 1 16 16 THR H H 16 7.636 7.636 7.671 -0.035 25924 469 1 2 . 1 1 17 17 LEU N N 17 121.097 121.097 124.763 -3.666 25924 470 1 2 . 1 1 17 17 LEU HA H 17 4.366 4.366 4.312 0.054 25924 471 1 2 . 1 1 17 17 LEU C C 17 174.215 174.215 175.944 -1.729 25924 472 1 2 . 1 1 17 17 LEU CA C 17 52.269 52.269 54.754 -2.485 25924 473 1 2 . 1 1 17 17 LEU CB C 17 39.018 39.018 41.482 -2.464 25924 474 1 2 . 1 1 17 17 LEU H H 17 7.364 7.364 7.142 0.222 25924 475 1 2 . 1 1 18 18 ARG N N 18 120.709 120.709 124.672 -3.963 25924 476 1 2 . 1 1 18 18 ARG HA H 18 4.371 4.371 4.436 -0.065 25924 477 1 2 . 1 1 18 18 ARG C C 18 173.362 173.362 175.842 -2.480 25924 478 1 2 . 1 1 18 18 ARG CA C 18 53.709 53.709 55.685 -1.976 25924 479 1 2 . 1 1 18 18 ARG CB C 18 28.038 28.038 30.951 -2.913 25924 480 1 2 . 1 1 18 18 ARG H H 18 7.555 7.555 7.667 -0.112 25924 481 1 2 . 1 1 19 19 THR N N 19 118.668 118.668 118.130 0.538 25924 482 1 2 . 1 1 19 19 THR HA H 19 4.387 4.387 4.415 -0.028 25924 483 1 2 . 1 1 19 19 THR C C 19 171.580 171.580 174.237 -2.657 25924 484 1 2 . 1 1 19 19 THR CA C 19 58.936 58.936 62.074 -3.138 25924 485 1 2 . 1 1 19 19 THR CB C 19 67.672 67.672 69.513 -1.841 25924 486 1 2 . 1 1 19 19 THR H H 19 8.540 8.540 8.420 0.120 25924 487 1 2 . 1 1 20 20 GLU N N 20 124.039 124.039 128.046 -4.007 25924 488 1 2 . 1 1 20 20 GLU HA H 20 4.075 4.075 4.145 -0.070 25924 489 1 2 . 1 1 20 20 GLU C C 20 174.446 174.446 177.633 -3.187 25924 490 1 2 . 1 1 20 20 GLU CA C 20 54.949 54.949 57.514 -2.565 25924 491 1 2 . 1 1 20 20 GLU CB C 20 26.872 26.872 30.147 -3.275 25924 492 1 2 . 1 1 20 20 GLU H H 20 8.586 8.586 8.825 -0.239 25924 493 1 2 . 1 1 21 21 GLY N N 21 111.169 111.169 111.629 -0.460 25924 494 1 2 . 1 1 21 21 GLY C C 21 171.105 171.105 174.066 -2.961 25924 495 1 2 . 1 1 21 21 GLY CA C 21 42.662 42.662 45.005 -2.343 25924 496 1 2 . 1 1 21 21 GLY H H 21 8.552 8.552 8.627 -0.075 25924 497 1 2 . 1 1 22 22 LYS N N 22 119.376 119.376 119.677 -0.301 25924 498 1 2 . 1 1 22 22 LYS HA H 22 4.453 4.453 4.497 -0.044 25924 499 1 2 . 1 1 22 22 LYS C C 22 173.525 173.525 175.040 -1.515 25924 500 1 2 . 1 1 22 22 LYS CA C 22 52.416 52.416 54.586 -2.170 25924 501 1 2 . 1 1 22 22 LYS CB C 22 31.336 31.336 35.215 -3.879 25924 502 1 2 . 1 1 22 22 LYS H H 22 7.798 7.798 7.580 0.218 25924 503 1 2 . 1 1 23 23 GLU N N 23 122.631 122.631 122.443 0.188 25924 504 1 2 . 1 1 23 23 GLU C C 23 172.069 172.069 175.955 -3.886 25924 505 1 2 . 1 1 23 23 GLU CA C 23 51.739 51.739 54.937 -3.198 25924 506 1 2 . 1 1 23 23 GLU CB C 23 26.486 26.486 29.146 -2.660 25924 507 1 2 . 1 1 24 24 PRO HA H 24 4.402 4.402 4.465 -0.063 25924 508 1 2 . 1 1 24 24 PRO C C 24 173.547 173.547 175.791 -2.244 25924 509 1 2 . 1 1 24 24 PRO CA C 24 60.521 60.521 63.265 -2.744 25924 510 1 2 . 1 1 24 24 PRO CB C 24 29.522 29.522 32.252 -2.730 25924 511 1 2 . 1 1 25 25 ASP N N 25 121.674 121.674 119.302 2.372 25924 512 1 2 . 1 1 25 25 ASP HA H 25 4.657 4.657 4.721 -0.064 25924 513 1 2 . 1 1 25 25 ASP C C 25 171.891 171.891 174.699 -2.808 25924 514 1 2 . 1 1 25 25 ASP CA C 25 53.718 53.718 53.373 0.345 25924 515 1 2 . 1 1 25 25 ASP CB C 25 40.677 40.677 42.471 -1.794 25924 516 1 2 . 1 1 25 25 ASP H H 25 8.232 8.232 8.232 0.000 25924 517 1 2 . 1 1 26 26 ILE N N 26 116.402 116.402 122.522 -6.120 25924 518 1 2 . 1 1 26 26 ILE C C 26 171.291 171.291 173.927 -2.636 25924 519 1 2 . 1 1 26 26 ILE CA C 26 55.315 55.315 57.762 -2.447 25924 520 1 2 . 1 1 26 26 ILE CB C 26 37.365 37.365 39.531 -2.166 25924 521 1 2 . 1 1 26 26 ILE H H 26 8.108 8.108 8.268 -0.160 25924 522 1 2 . 1 1 27 27 PRO HA H 27 4.723 4.723 4.664 0.059 25924 523 1 2 . 1 1 27 27 PRO C C 27 172.234 172.234 175.491 -3.257 25924 524 1 2 . 1 1 27 27 PRO CA C 27 60.676 60.676 62.637 -1.961 25924 525 1 2 . 1 1 27 27 PRO CB C 27 29.510 29.510 32.453 -2.943 25924 526 1 2 . 1 1 28 28 LEU N N 28 124.504 124.504 123.146 1.358 25924 527 1 2 . 1 1 28 28 LEU HA H 28 4.712 4.712 4.777 -0.065 25924 528 1 2 . 1 1 28 28 LEU C C 28 172.463 172.463 175.390 -2.927 25924 529 1 2 . 1 1 28 28 LEU CA C 28 50.999 50.999 53.982 -2.983 25924 530 1 2 . 1 1 28 28 LEU CB C 28 42.433 42.433 45.974 -3.541 25924 531 1 2 . 1 1 28 28 LEU H H 28 8.477 8.477 8.308 0.169 25924 532 1 2 . 1 1 29 29 TYR N N 29 123.137 123.137 121.833 1.304 25924 533 1 2 . 1 1 29 29 TYR HA H 29 5.285 5.285 5.104 0.181 25924 534 1 2 . 1 1 29 29 TYR C C 29 173.614 173.614 175.146 -1.532 25924 535 1 2 . 1 1 29 29 TYR CA C 29 54.959 54.959 56.189 -1.230 25924 536 1 2 . 1 1 29 29 TYR CB C 29 37.328 37.328 39.283 -1.955 25924 537 1 2 . 1 1 29 29 TYR H H 29 8.907 8.907 8.011 0.896 25924 538 1 2 . 1 1 30 30 LYS N N 30 122.426 122.426 123.910 -1.484 25924 539 1 2 . 1 1 30 30 LYS C C 30 172.500 172.500 175.502 -3.002 25924 540 1 2 . 1 1 30 30 LYS CA C 30 52.399 52.399 55.178 -2.779 25924 541 1 2 . 1 1 30 30 LYS CB C 30 34.086 34.086 36.925 -2.840 25924 542 1 2 . 1 1 30 30 LYS H H 30 9.344 9.344 8.474 0.870 25924 543 1 2 . 1 1 31 31 THR HA H 31 4.510 4.510 4.914 -0.404 25924 544 1 2 . 1 1 31 31 THR CA C 31 60.787 60.787 61.383 -0.596 25924 545 1 2 . 1 1 32 32 LEU N N 32 129.198 129.198 126.558 2.640 25924 546 1 2 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.619 -0.179 25924 547 1 2 . 1 1 32 32 LEU C C 32 174.368 174.368 177.339 -2.971 25924 548 1 2 . 1 1 32 32 LEU CA C 32 52.683 52.683 55.276 -2.593 25924 549 1 2 . 1 1 32 32 LEU CB C 32 40.207 40.207 42.691 -2.484 25924 550 1 2 . 1 1 32 32 LEU H H 32 9.019 9.019 8.736 0.283 25924 551 1 2 . 1 1 33 33 GLN N N 33 115.992 115.992 118.367 -2.375 25924 552 1 2 . 1 1 33 33 GLN C C 33 171.615 171.615 175.264 -3.649 25924 553 1 2 . 1 1 33 33 GLN CA C 33 53.264 53.264 55.345 -2.081 25924 554 1 2 . 1 1 33 33 GLN CB C 33 28.844 28.844 29.910 -1.066 25924 555 1 2 . 1 1 33 33 GLN H H 33 7.689 7.689 8.016 -0.327 25924 556 1 2 . 1 1 34 34 THR N N 34 119.608 119.608 115.806 3.802 25924 557 1 2 . 1 1 34 34 THR HA H 34 4.489 4.489 4.488 0.001 25924 558 1 2 . 1 1 34 34 THR C C 34 170.622 170.622 173.126 -2.504 25924 559 1 2 . 1 1 34 34 THR CA C 34 59.144 59.144 60.215 -1.071 25924 560 1 2 . 1 1 34 34 THR CB C 34 67.805 67.805 70.029 -2.224 25924 561 1 2 . 1 1 34 34 THR H H 34 8.345 8.345 8.349 -0.004 25924 562 1 2 . 1 1 35 35 VAL N N 35 120.795 120.795 125.271 -4.476 25924 563 1 2 . 1 1 35 35 VAL HA H 35 4.492 4.492 4.380 0.112 25924 564 1 2 . 1 1 35 35 VAL C C 35 172.242 172.242 174.267 -2.025 25924 565 1 2 . 1 1 35 35 VAL CA C 35 57.697 57.697 60.698 -3.001 25924 566 1 2 . 1 1 35 35 VAL CB C 35 32.804 32.804 35.403 -2.599 25924 567 1 2 . 1 1 35 35 VAL H H 35 8.134 8.134 8.085 0.049 25924 568 1 2 . 1 1 36 36 GLY N N 36 110.608 110.608 109.275 1.333 25924 569 1 2 . 1 1 36 36 GLY C C 36 169.453 169.453 173.184 -3.731 25924 570 1 2 . 1 1 36 36 GLY CA C 36 41.094 41.094 44.355 -3.260 25924 571 1 2 . 1 1 36 36 GLY H H 36 8.229 8.229 8.495 -0.266 25924 572 1 2 . 1 1 39 39 HIS HA H 39 4.631 4.631 4.326 0.305 25924 573 1 2 . 1 1 39 39 HIS C C 39 172.140 172.140 175.187 -3.047 25924 574 1 2 . 1 1 39 39 HIS CA C 39 53.584 53.584 57.486 -3.902 25924 575 1 2 . 1 1 39 39 HIS CB C 39 27.736 27.736 29.788 -2.051 25924 576 1 2 . 1 1 40 40 ALA N N 40 128.155 128.155 123.985 4.170 25924 577 1 2 . 1 1 40 40 ALA HA H 40 4.422 4.422 4.382 0.040 25924 578 1 2 . 1 1 40 40 ALA C C 40 171.693 171.693 176.762 -5.069 25924 579 1 2 . 1 1 40 40 ALA CA C 40 48.979 48.979 51.982 -3.003 25924 580 1 2 . 1 1 40 40 ALA CB C 40 15.335 15.335 19.935 -4.600 25924 581 1 2 . 1 1 40 40 ALA H H 40 7.582 7.582 8.239 -0.657 25924 582 1 2 . 1 1 41 41 ARG N N 41 122.997 122.997 123.228 -0.231 25924 583 1 2 . 1 1 41 41 ARG HA H 41 4.467 4.467 4.495 -0.028 25924 584 1 2 . 1 1 41 41 ARG C C 41 174.236 174.236 175.873 -1.637 25924 585 1 2 . 1 1 41 41 ARG CA C 41 52.715 52.715 55.662 -2.947 25924 586 1 2 . 1 1 41 41 ARG CB C 41 29.506 29.506 30.790 -1.284 25924 587 1 2 . 1 1 41 41 ARG H H 41 8.090 8.090 8.621 -0.531 25924 588 1 2 . 1 1 42 42 THR N N 42 116.202 116.202 115.355 0.847 25924 589 1 2 . 1 1 42 42 THR HA H 42 4.448 4.448 5.062 -0.614 25924 590 1 2 . 1 1 42 42 THR C C 42 171.192 171.192 172.801 -1.609 25924 591 1 2 . 1 1 42 42 THR CA C 42 59.750 59.750 59.717 0.034 25924 592 1 2 . 1 1 42 42 THR CB C 42 67.917 67.917 71.881 -3.964 25924 593 1 2 . 1 1 42 42 THR H H 42 8.572 8.572 7.961 0.611 25924 594 1 2 . 1 1 43 43 TYR N N 43 127.687 127.687 120.177 7.510 25924 595 1 2 . 1 1 43 43 TYR HA H 43 4.719 4.719 4.756 -0.037 25924 596 1 2 . 1 1 43 43 TYR C C 43 172.160 172.160 174.711 -2.551 25924 597 1 2 . 1 1 43 43 TYR CA C 43 54.921 54.921 57.224 -2.303 25924 598 1 2 . 1 1 43 43 TYR CB C 43 38.220 38.220 42.977 -4.757 25924 599 1 2 . 1 1 43 43 TYR H H 43 9.255 9.255 8.652 0.603 25924 600 1 2 . 1 1 44 44 THR N N 44 117.178 117.178 118.453 -1.275 25924 601 1 2 . 1 1 44 44 THR HA H 44 5.162 5.162 5.032 0.130 25924 602 1 2 . 1 1 44 44 THR C C 44 171.330 171.330 173.459 -2.129 25924 603 1 2 . 1 1 44 44 THR CA C 44 59.299 59.299 61.715 -2.416 25924 604 1 2 . 1 1 44 44 THR CB C 44 67.619 67.619 70.347 -2.728 25924 605 1 2 . 1 1 44 44 THR H H 44 8.699 8.699 8.481 0.218 25924 606 1 2 . 1 1 45 45 VAL N N 45 128.199 128.199 127.096 1.103 25924 607 1 2 . 1 1 45 45 VAL HA H 45 4.177 4.177 4.250 -0.073 25924 608 1 2 . 1 1 45 45 VAL C C 45 169.635 169.635 173.858 -4.223 25924 609 1 2 . 1 1 45 45 VAL CA C 45 57.558 57.558 61.129 -3.571 25924 610 1 2 . 1 1 45 45 VAL CB C 45 32.829 32.829 33.436 -0.607 25924 611 1 2 . 1 1 45 45 VAL H H 45 9.331 9.331 9.193 0.138 25924 612 1 2 . 1 1 46 46 ALA N N 46 126.929 126.929 131.328 -4.399 25924 613 1 2 . 1 1 46 46 ALA HA H 46 5.260 5.260 4.781 0.479 25924 614 1 2 . 1 1 46 46 ALA C C 46 171.973 171.973 176.260 -4.287 25924 615 1 2 . 1 1 46 46 ALA CA C 46 46.865 46.865 50.090 -3.225 25924 616 1 2 . 1 1 46 46 ALA CB C 46 21.198 21.198 20.933 0.265 25924 617 1 2 . 1 1 46 46 ALA H H 46 8.961 8.961 9.132 -0.171 25924 618 1 2 . 1 1 47 47 VAL N N 47 118.914 118.914 125.276 -6.362 25924 619 1 2 . 1 1 47 47 VAL HA H 47 4.961 4.961 4.235 0.726 25924 620 1 2 . 1 1 47 47 VAL C C 47 170.285 170.285 174.646 -4.361 25924 621 1 2 . 1 1 47 47 VAL CA C 47 55.384 55.384 61.788 -6.404 25924 622 1 2 . 1 1 47 47 VAL CB C 47 32.098 32.098 31.972 0.126 25924 623 1 2 . 1 1 47 47 VAL H H 47 8.248 8.248 8.657 -0.409 25924 624 1 2 . 1 1 48 48 TYR N N 48 126.815 126.815 127.911 -1.096 25924 625 1 2 . 1 1 48 48 TYR HA H 48 5.217 5.217 4.775 0.442 25924 626 1 2 . 1 1 48 48 TYR C C 48 172.504 172.504 175.303 -2.799 25924 627 1 2 . 1 1 48 48 TYR CA C 48 53.610 53.610 57.457 -3.847 25924 628 1 2 . 1 1 48 48 TYR CB C 48 40.339 40.339 40.421 -0.082 25924 629 1 2 . 1 1 48 48 TYR H H 48 9.274 9.274 8.108 1.166 25924 630 1 2 . 1 1 49 49 PHE N N 49 119.234 119.234 124.251 -5.017 25924 631 1 2 . 1 1 49 49 PHE HA H 49 4.766 4.766 4.819 -0.053 25924 632 1 2 . 1 1 49 49 PHE C C 49 172.390 172.390 175.172 -2.782 25924 633 1 2 . 1 1 49 49 PHE CA C 49 54.128 54.128 57.803 -3.675 25924 634 1 2 . 1 1 49 49 PHE CB C 49 40.240 40.240 42.656 -2.416 25924 635 1 2 . 1 1 49 49 PHE H H 49 9.024 9.024 9.376 -0.352 25924 636 1 2 . 1 1 50 50 LYS N N 50 128.064 128.064 127.881 0.183 25924 637 1 2 . 1 1 50 50 LYS HA H 50 3.502 3.502 3.760 -0.258 25924 638 1 2 . 1 1 50 50 LYS C C 50 173.659 173.659 176.329 -2.670 25924 639 1 2 . 1 1 50 50 LYS CA C 50 54.906 54.906 56.878 -1.972 25924 640 1 2 . 1 1 50 50 LYS CB C 50 26.726 26.726 31.467 -4.741 25924 641 1 2 . 1 1 50 50 LYS H H 50 9.035 9.035 9.011 0.024 25924 642 1 2 . 1 1 51 51 GLY N N 51 104.286 104.286 102.808 1.478 25924 643 1 2 . 1 1 51 51 GLY C C 51 170.970 170.970 174.051 -3.081 25924 644 1 2 . 1 1 51 51 GLY CA C 51 42.553 42.553 45.027 -2.474 25924 645 1 2 . 1 1 51 51 GLY H H 51 8.893 8.893 8.672 0.221 25924 646 1 2 . 1 1 52 52 GLU N N 52 121.087 121.087 119.854 1.233 25924 647 1 2 . 1 1 52 52 GLU HA H 52 4.617 4.617 4.687 -0.070 25924 648 1 2 . 1 1 52 52 GLU C C 52 172.477 172.477 175.712 -3.235 25924 649 1 2 . 1 1 52 52 GLU CA C 52 51.709 51.709 54.714 -3.005 25924 650 1 2 . 1 1 52 52 GLU CB C 52 29.248 29.248 33.066 -3.818 25924 651 1 2 . 1 1 52 52 GLU H H 52 7.710 7.710 7.882 -0.172 25924 652 1 2 . 1 1 53 53 ARG N N 53 126.720 126.720 123.002 3.718 25924 653 1 2 . 1 1 53 53 ARG C C 53 173.977 173.977 176.366 -2.389 25924 654 1 2 . 1 1 53 53 ARG CA C 53 54.250 54.250 57.834 -3.584 25924 655 1 2 . 1 1 53 53 ARG CB C 53 27.373 27.373 30.730 -3.357 25924 656 1 2 . 1 1 53 53 ARG H H 53 8.919 8.919 8.885 0.034 25924 657 1 2 . 1 1 54 54 ILE N N 54 122.215 122.215 121.571 0.644 25924 658 1 2 . 1 1 54 54 ILE HA H 54 4.549 4.549 4.416 0.133 25924 659 1 2 . 1 1 54 54 ILE C C 54 172.161 172.161 173.816 -1.655 25924 660 1 2 . 1 1 54 54 ILE CA C 54 58.807 58.807 60.257 -1.450 25924 661 1 2 . 1 1 54 54 ILE CB C 54 37.207 37.207 40.110 -2.903 25924 662 1 2 . 1 1 54 54 ILE H H 54 8.920 8.920 8.259 0.661 25924 663 1 2 . 1 1 55 55 GLY N N 55 107.034 107.034 105.508 1.526 25924 664 1 2 . 1 1 55 55 GLY C C 55 169.649 169.649 171.366 -1.717 25924 665 1 2 . 1 1 55 55 GLY CA C 55 42.712 42.712 45.398 -2.686 25924 666 1 2 . 1 1 55 55 GLY H H 55 7.233 7.233 7.444 -0.211 25924 667 1 2 . 1 1 56 56 CYS N N 56 121.361 121.361 121.198 0.163 25924 668 1 2 . 1 1 56 56 CYS HA H 56 5.264 5.264 5.693 -0.429 25924 669 1 2 . 1 1 56 56 CYS C C 56 169.550 169.550 174.229 -4.679 25924 670 1 2 . 1 1 56 56 CYS CA C 56 53.638 53.638 57.240 -3.602 25924 671 1 2 . 1 1 56 56 CYS CB C 56 40.291 40.291 30.652 9.639 25924 672 1 2 . 1 1 56 56 CYS H H 56 9.739 9.739 8.227 1.512 25924 673 1 2 . 1 1 57 57 GLY N N 57 113.662 113.662 113.425 0.237 25924 674 1 2 . 1 1 57 57 GLY C C 57 168.036 168.036 171.141 -3.105 25924 675 1 2 . 1 1 57 57 GLY CA C 57 41.978 41.978 44.919 -2.941 25924 676 1 2 . 1 1 57 57 GLY H H 57 9.408 9.408 8.818 0.590 25924 677 1 2 . 1 1 58 58 LYS N N 58 117.565 117.565 118.940 -1.375 25924 678 1 2 . 1 1 58 58 LYS HA H 58 5.981 5.981 5.508 0.473 25924 679 1 2 . 1 1 58 58 LYS C C 58 174.185 174.185 175.510 -1.325 25924 680 1 2 . 1 1 58 58 LYS CA C 58 51.418 51.418 54.294 -2.876 25924 681 1 2 . 1 1 58 58 LYS CB C 58 34.533 34.533 36.318 -1.784 25924 682 1 2 . 1 1 58 58 LYS H H 58 8.427 8.427 8.207 0.220 25924 683 1 2 . 1 1 59 59 GLY N N 59 106.060 106.060 107.595 -1.535 25924 684 1 2 . 1 1 59 59 GLY C C 59 168.361 168.361 172.250 -3.889 25924 685 1 2 . 1 1 59 59 GLY CA C 59 43.281 43.281 45.731 -2.450 25924 686 1 2 . 1 1 59 59 GLY H H 59 8.534 8.534 8.093 0.441 25924 687 1 2 . 1 1 60 60 PRO HA H 60 5.242 5.242 4.874 0.368 25924 688 1 2 . 1 1 60 60 PRO C C 60 172.019 172.019 176.631 -4.612 25924 689 1 2 . 1 1 60 60 PRO CA C 60 61.161 61.161 63.731 -2.570 25924 690 1 2 . 1 1 60 60 PRO CB C 60 29.185 29.185 32.338 -3.153 25924 691 1 2 . 1 1 61 61 SER N N 61 110.749 110.749 111.204 -0.455 25924 692 1 2 . 1 1 61 61 SER C C 61 170.857 170.857 174.816 -3.959 25924 693 1 2 . 1 1 61 61 SER CA C 61 53.387 53.387 56.605 -3.217 25924 694 1 2 . 1 1 61 61 SER CB C 61 63.795 63.795 65.030 -1.235 25924 695 1 2 . 1 1 61 61 SER H H 61 7.289 7.289 7.257 0.032 25924 696 1 2 . 1 1 62 62 LYS HA H 62 3.155 3.155 3.955 -0.800 25924 697 1 2 . 1 1 62 62 LYS C C 62 175.308 175.308 178.125 -2.817 25924 698 1 2 . 1 1 62 62 LYS CA C 62 57.915 57.915 59.784 -1.869 25924 699 1 2 . 1 1 62 62 LYS CB C 62 28.989 28.989 32.420 -3.431 25924 700 1 2 . 1 1 63 63 LYS N N 63 118.188 118.188 120.032 -1.844 25924 701 1 2 . 1 1 63 63 LYS HA H 63 3.709 3.709 3.937 -0.228 25924 702 1 2 . 1 1 63 63 LYS C C 63 175.856 175.856 178.856 -3.000 25924 703 1 2 . 1 1 63 63 LYS CA C 63 57.097 57.097 60.025 -2.928 25924 704 1 2 . 1 1 63 63 LYS CB C 63 29.746 29.746 32.065 -2.319 25924 705 1 2 . 1 1 63 63 LYS H H 63 8.246 8.246 7.676 0.570 25924 706 1 2 . 1 1 64 64 GLN N N 64 116.733 116.733 116.968 -0.235 25924 707 1 2 . 1 1 64 64 GLN HA H 64 3.927 3.927 4.086 -0.159 25924 708 1 2 . 1 1 64 64 GLN C C 64 176.277 176.277 178.344 -2.067 25924 709 1 2 . 1 1 64 64 GLN CA C 64 56.240 56.240 58.763 -2.523 25924 710 1 2 . 1 1 64 64 GLN CB C 64 26.506 26.506 28.164 -1.658 25924 711 1 2 . 1 1 64 64 GLN H H 64 7.701 7.701 8.400 -0.699 25924 712 1 2 . 1 1 65 65 ALA N N 65 123.381 123.381 122.762 0.619 25924 713 1 2 . 1 1 65 65 ALA HA H 65 3.726 3.726 4.088 -0.362 25924 714 1 2 . 1 1 65 65 ALA C C 65 175.750 175.750 179.531 -3.781 25924 715 1 2 . 1 1 65 65 ALA CA C 65 53.009 53.009 55.106 -2.097 25924 716 1 2 . 1 1 65 65 ALA CB C 65 16.089 16.089 18.273 -2.184 25924 717 1 2 . 1 1 65 65 ALA H H 65 7.933 7.933 7.915 0.018 25924 718 1 2 . 1 1 66 66 LYS N N 66 118.715 118.715 119.018 -0.303 25924 719 1 2 . 1 1 66 66 LYS HA H 66 3.626 3.626 3.859 -0.233 25924 720 1 2 . 1 1 66 66 LYS C C 66 175.275 175.275 178.765 -3.490 25924 721 1 2 . 1 1 66 66 LYS CA C 66 57.658 57.658 59.536 -1.878 25924 722 1 2 . 1 1 66 66 LYS CB C 66 30.268 30.268 32.206 -1.938 25924 723 1 2 . 1 1 66 66 LYS H H 66 8.353 8.353 8.391 -0.038 25924 724 1 2 . 1 1 67 67 MET N N 67 117.211 117.211 119.695 -2.484 25924 725 1 2 . 1 1 67 67 MET HA H 67 3.821 3.821 4.056 -0.235 25924 726 1 2 . 1 1 67 67 MET C C 67 175.660 175.660 178.352 -2.692 25924 727 1 2 . 1 1 67 67 MET CA C 67 56.845 56.845 59.090 -2.245 25924 728 1 2 . 1 1 67 67 MET CB C 67 29.950 29.950 32.523 -2.573 25924 729 1 2 . 1 1 67 67 MET H H 67 8.011 8.011 8.058 -0.047 25924 730 1 2 . 1 1 68 68 GLY N N 68 105.985 105.985 106.102 -0.117 25924 731 1 2 . 1 1 68 68 GLY C C 68 173.545 173.545 175.563 -2.018 25924 732 1 2 . 1 1 68 68 GLY CA C 68 44.643 44.643 46.637 -1.994 25924 733 1 2 . 1 1 68 68 GLY H H 68 8.094 8.094 7.872 0.222 25924 734 1 2 . 1 1 69 69 ALA N N 69 127.579 127.579 125.133 2.446 25924 735 1 2 . 1 1 69 69 ALA HA H 69 3.841 3.841 4.161 -0.320 25924 736 1 2 . 1 1 69 69 ALA C C 69 175.840 175.840 179.287 -3.447 25924 737 1 2 . 1 1 69 69 ALA CA C 69 52.512 52.512 54.835 -2.323 25924 738 1 2 . 1 1 69 69 ALA CB C 69 15.069 15.069 18.431 -3.362 25924 739 1 2 . 1 1 69 69 ALA H H 69 8.437 8.437 8.474 -0.037 25924 740 1 2 . 1 1 70 70 ALA N N 70 119.968 119.968 121.580 -1.612 25924 741 1 2 . 1 1 70 70 ALA HA H 70 4.003 4.003 4.275 -0.272 25924 742 1 2 . 1 1 70 70 ALA C C 70 176.847 176.847 179.415 -2.568 25924 743 1 2 . 1 1 70 70 ALA CA C 70 52.759 52.759 54.644 -1.885 25924 744 1 2 . 1 1 70 70 ALA CB C 70 15.297 15.297 18.405 -3.108 25924 745 1 2 . 1 1 70 70 ALA H H 70 8.219 8.219 8.524 -0.305 25924 746 1 2 . 1 1 71 71 MET N N 71 115.754 115.754 117.962 -2.208 25924 747 1 2 . 1 1 71 71 MET HA H 71 4.010 4.010 4.034 -0.024 25924 748 1 2 . 1 1 71 71 MET C C 71 175.596 175.596 177.532 -1.936 25924 749 1 2 . 1 1 71 71 MET CA C 71 56.613 56.613 58.837 -2.224 25924 750 1 2 . 1 1 71 71 MET CB C 71 30.407 30.407 32.555 -2.148 25924 751 1 2 . 1 1 71 71 MET H H 71 8.294 8.294 7.877 0.417 25924 752 1 2 . 1 1 72 72 ASP N N 72 120.287 120.287 120.084 0.203 25924 753 1 2 . 1 1 72 72 ASP HA H 72 4.389 4.389 4.293 0.096 25924 754 1 2 . 1 1 72 72 ASP C C 72 175.052 175.052 178.155 -3.103 25924 755 1 2 . 1 1 72 72 ASP CA C 72 54.995 54.995 57.363 -2.368 25924 756 1 2 . 1 1 72 72 ASP CB C 72 40.461 40.461 40.609 -0.148 25924 757 1 2 . 1 1 72 72 ASP H H 72 8.045 8.045 8.133 -0.088 25924 758 1 2 . 1 1 73 73 ALA N N 73 119.640 119.640 122.483 -2.843 25924 759 1 2 . 1 1 73 73 ALA HA H 73 4.188 4.188 4.317 -0.129 25924 760 1 2 . 1 1 73 73 ALA C C 73 177.251 177.251 179.712 -2.461 25924 761 1 2 . 1 1 73 73 ALA CA C 73 52.041 52.041 54.788 -2.747 25924 762 1 2 . 1 1 73 73 ALA CB C 73 16.473 16.473 18.589 -2.116 25924 763 1 2 . 1 1 73 73 ALA H H 73 8.028 8.028 7.555 0.473 25924 764 1 2 . 1 1 74 74 LEU N N 74 117.010 117.010 119.510 -2.500 25924 765 1 2 . 1 1 74 74 LEU HA H 74 3.992 3.992 3.853 0.139 25924 766 1 2 . 1 1 74 74 LEU C C 74 176.643 176.643 178.873 -2.230 25924 767 1 2 . 1 1 74 74 LEU CA C 74 55.519 55.519 57.941 -2.422 25924 768 1 2 . 1 1 74 74 LEU CB C 74 39.698 39.698 42.060 -2.362 25924 769 1 2 . 1 1 74 74 LEU H H 74 8.397 8.397 7.747 0.650 25924 770 1 2 . 1 1 75 75 GLU N N 75 117.709 117.709 118.816 -1.107 25924 771 1 2 . 1 1 75 75 GLU HA H 75 4.109 4.109 4.083 0.026 25924 772 1 2 . 1 1 75 75 GLU C C 75 175.976 175.976 178.371 -2.395 25924 773 1 2 . 1 1 75 75 GLU CA C 75 55.916 55.916 58.724 -2.808 25924 774 1 2 . 1 1 75 75 GLU CB C 75 27.425 27.425 29.463 -2.038 25924 775 1 2 . 1 1 75 75 GLU H H 75 7.812 7.812 8.136 -0.324 25924 776 1 2 . 1 1 76 76 LYS N N 76 117.440 117.440 118.062 -0.622 25924 777 1 2 . 1 1 76 76 LYS HA H 76 4.140 4.140 4.115 0.025 25924 778 1 2 . 1 1 76 76 LYS C C 76 174.882 174.882 176.376 -1.494 25924 779 1 2 . 1 1 76 76 LYS CA C 76 55.187 55.187 57.422 -2.236 25924 780 1 2 . 1 1 76 76 LYS CB C 76 31.270 31.270 33.277 -2.007 25924 781 1 2 . 1 1 76 76 LYS H H 76 7.892 7.892 7.516 0.376 25924 782 1 2 . 1 1 77 77 TYR N N 77 120.225 120.225 116.348 3.877 25924 783 1 2 . 1 1 77 77 TYR HA H 77 4.044 4.044 4.266 -0.222 25924 784 1 2 . 1 1 77 77 TYR C C 77 172.041 172.041 173.729 -1.688 25924 785 1 2 . 1 1 77 77 TYR CA C 77 56.878 56.878 58.593 -1.715 25924 786 1 2 . 1 1 77 77 TYR CB C 77 35.852 35.852 38.602 -2.750 25924 787 1 2 . 1 1 77 77 TYR H H 77 8.149 8.149 7.768 0.381 25924 788 1 2 . 1 1 78 78 ASN N N 78 121.088 121.088 121.148 -0.060 25924 789 1 2 . 1 1 78 78 ASN HA H 78 4.537 4.537 4.678 -0.141 25924 790 1 2 . 1 1 78 78 ASN C C 78 171.116 171.116 174.746 -3.630 25924 791 1 2 . 1 1 78 78 ASN CA C 78 49.866 49.866 52.781 -2.915 25924 792 1 2 . 1 1 78 78 ASN CB C 78 35.302 35.302 38.613 -3.311 25924 793 1 2 . 1 1 78 78 ASN H H 78 7.436 7.436 7.927 -0.491 25924 794 1 2 . 1 1 79 79 PHE N N 79 122.211 122.211 123.201 -0.990 25924 795 1 2 . 1 1 79 79 PHE C C 79 171.220 171.220 174.202 -2.982 25924 796 1 2 . 1 1 79 79 PHE CA C 79 54.195 54.195 57.628 -3.433 25924 797 1 2 . 1 1 79 79 PHE CB C 79 35.969 35.969 37.973 -2.004 25924 798 1 2 . 1 1 79 79 PHE H H 79 7.901 7.901 8.903 -1.002 25924 799 1 2 . 1 1 80 80 PRO HA H 80 4.367 4.367 4.181 0.186 25924 800 1 2 . 1 1 80 80 PRO C C 80 173.721 173.721 176.574 -2.853 25924 801 1 2 . 1 1 80 80 PRO CA C 80 60.634 60.634 64.098 -3.464 25924 802 1 2 . 1 1 80 80 PRO CB C 80 29.356 29.356 32.105 -2.749 25924 803 1 2 . 1 1 81 81 GLN N N 81 120.432 120.432 117.759 2.673 25924 804 1 2 . 1 1 81 81 GLN HA H 81 4.232 4.232 3.762 0.470 25924 805 1 2 . 1 1 81 81 GLN C C 81 172.475 172.475 174.427 -1.952 25924 806 1 2 . 1 1 81 81 GLN CA C 81 53.216 53.216 56.049 -2.833 25924 807 1 2 . 1 1 81 81 GLN CB C 81 26.823 26.823 26.842 -0.019 25924 808 1 2 . 1 1 81 81 GLN H H 81 8.347 8.347 8.163 0.184 25924 809 1 3 . 1 1 6 6 PRO HA H 6 4.233 4.233 4.323 -0.090 25924 810 1 3 . 1 1 6 6 PRO C C 6 174.849 174.849 177.842 -2.993 25924 811 1 3 . 1 1 6 6 PRO CA C 6 62.494 62.494 62.944 -0.450 25924 812 1 3 . 1 1 6 6 PRO CB C 6 30.061 30.061 32.465 -2.404 25924 813 1 3 . 1 1 7 7 ILE N N 7 118.341 118.341 122.760 -4.419 25924 814 1 3 . 1 1 7 7 ILE HA H 7 3.556 3.556 3.789 -0.233 25924 815 1 3 . 1 1 7 7 ILE C C 7 177.294 177.294 177.446 -0.152 25924 816 1 3 . 1 1 7 7 ILE CA C 7 62.546 62.546 62.957 -0.411 25924 817 1 3 . 1 1 7 7 ILE CB C 7 34.984 34.984 37.592 -2.607 25924 818 1 3 . 1 1 7 7 ILE H H 7 7.420 7.420 8.632 -1.212 25924 819 1 3 . 1 1 8 8 SER N N 8 118.043 118.043 115.416 2.627 25924 820 1 3 . 1 1 8 8 SER HA H 8 4.140 4.140 4.004 0.136 25924 821 1 3 . 1 1 8 8 SER C C 8 174.216 174.216 176.074 -1.858 25924 822 1 3 . 1 1 8 8 SER CA C 8 58.686 58.686 61.019 -2.333 25924 823 1 3 . 1 1 8 8 SER CB C 8 59.913 59.913 62.384 -2.471 25924 824 1 3 . 1 1 8 8 SER H H 8 7.867 7.867 8.262 -0.395 25924 825 1 3 . 1 1 9 9 GLN N N 9 121.528 121.528 122.673 -1.145 25924 826 1 3 . 1 1 9 9 GLN HA H 9 3.894 3.894 4.037 -0.143 25924 827 1 3 . 1 1 9 9 GLN C C 9 175.750 175.750 177.997 -2.247 25924 828 1 3 . 1 1 9 9 GLN CA C 9 56.418 56.418 58.847 -2.429 25924 829 1 3 . 1 1 9 9 GLN CB C 9 26.763 26.763 28.577 -1.814 25924 830 1 3 . 1 1 9 9 GLN H H 9 8.384 8.384 7.534 0.850 25924 831 1 3 . 1 1 10 10 LEU N N 10 120.026 120.026 119.927 0.099 25924 832 1 3 . 1 1 10 10 LEU HA H 10 3.903 3.903 3.952 -0.049 25924 833 1 3 . 1 1 10 10 LEU C C 10 174.336 174.336 178.955 -4.619 25924 834 1 3 . 1 1 10 10 LEU CA C 10 55.816 55.816 57.582 -1.766 25924 835 1 3 . 1 1 10 10 LEU CB C 10 38.168 38.168 41.616 -3.448 25924 836 1 3 . 1 1 10 10 LEU H H 10 8.357 8.357 7.753 0.604 25924 837 1 3 . 1 1 11 11 GLN N N 11 116.550 116.550 119.190 -2.640 25924 838 1 3 . 1 1 11 11 GLN HA H 11 3.591 3.591 3.807 -0.216 25924 839 1 3 . 1 1 11 11 GLN C C 11 175.196 175.196 178.185 -2.989 25924 840 1 3 . 1 1 11 11 GLN CA C 11 57.729 57.729 59.030 -1.301 25924 841 1 3 . 1 1 11 11 GLN CB C 11 20.954 20.954 28.605 -7.651 25924 842 1 3 . 1 1 11 11 GLN H H 11 7.445 7.445 8.080 -0.635 25924 843 1 3 . 1 1 12 12 GLN N N 12 116.948 116.948 119.665 -2.717 25924 844 1 3 . 1 1 12 12 GLN HA H 12 3.940 3.940 4.031 -0.091 25924 845 1 3 . 1 1 12 12 GLN C C 12 176.463 176.463 178.459 -1.996 25924 846 1 3 . 1 1 12 12 GLN CA C 12 56.111 56.111 58.893 -2.782 25924 847 1 3 . 1 1 12 12 GLN CB C 12 25.406 25.406 28.589 -3.183 25924 848 1 3 . 1 1 12 12 GLN H H 12 8.159 8.159 8.419 -0.260 25924 849 1 3 . 1 1 13 13 CYS N N 13 119.104 119.104 118.635 0.469 25924 850 1 3 . 1 1 13 13 CYS HA H 13 4.246 4.246 4.030 0.216 25924 851 1 3 . 1 1 13 13 CYS C C 13 174.884 174.884 177.093 -2.209 25924 852 1 3 . 1 1 13 13 CYS CA C 13 55.688 55.688 63.687 -7.999 25924 853 1 3 . 1 1 13 13 CYS CB C 13 36.819 36.819 27.459 9.360 25924 854 1 3 . 1 1 13 13 CYS H H 13 8.255 8.255 8.001 0.254 25924 855 1 3 . 1 1 14 14 CYS N N 14 119.738 119.738 120.280 -0.542 25924 856 1 3 . 1 1 14 14 CYS HA H 14 3.872 3.872 3.984 -0.112 25924 857 1 3 . 1 1 14 14 CYS C C 14 174.825 174.825 175.830 -1.005 25924 858 1 3 . 1 1 14 14 CYS CA C 14 59.649 59.649 63.313 -3.664 25924 859 1 3 . 1 1 14 14 CYS CB C 14 30.799 30.799 27.404 3.395 25924 860 1 3 . 1 1 14 14 CYS H H 14 8.472 8.472 7.564 0.908 25924 861 1 3 . 1 1 15 15 LEU N N 15 120.206 120.206 117.523 2.683 25924 862 1 3 . 1 1 15 15 LEU HA H 15 4.164 4.164 4.121 0.043 25924 863 1 3 . 1 1 15 15 LEU C C 15 176.334 176.334 178.642 -2.308 25924 864 1 3 . 1 1 15 15 LEU CA C 15 55.008 55.008 57.718 -2.710 25924 865 1 3 . 1 1 15 15 LEU CB C 15 39.276 39.276 42.030 -2.754 25924 866 1 3 . 1 1 15 15 LEU H H 15 7.875 7.875 7.553 0.322 25924 867 1 3 . 1 1 16 16 THR N N 16 111.015 111.015 112.376 -1.361 25924 868 1 3 . 1 1 16 16 THR HA H 16 4.188 4.188 4.148 0.040 25924 869 1 3 . 1 1 16 16 THR C C 16 172.543 172.543 174.925 -2.382 25924 870 1 3 . 1 1 16 16 THR CA C 16 61.556 61.556 64.824 -3.268 25924 871 1 3 . 1 1 16 16 THR CB C 16 67.074 67.074 69.258 -2.184 25924 872 1 3 . 1 1 16 16 THR H H 16 7.636 7.636 7.778 -0.142 25924 873 1 3 . 1 1 17 17 LEU N N 17 121.097 121.097 123.453 -2.356 25924 874 1 3 . 1 1 17 17 LEU HA H 17 4.366 4.366 4.307 0.059 25924 875 1 3 . 1 1 17 17 LEU C C 17 174.215 174.215 175.641 -1.426 25924 876 1 3 . 1 1 17 17 LEU CA C 17 52.269 52.269 54.751 -2.482 25924 877 1 3 . 1 1 17 17 LEU CB C 17 39.018 39.018 42.955 -3.937 25924 878 1 3 . 1 1 17 17 LEU H H 17 7.364 7.364 7.602 -0.238 25924 879 1 3 . 1 1 18 18 ARG N N 18 120.709 120.709 124.889 -4.180 25924 880 1 3 . 1 1 18 18 ARG HA H 18 4.371 4.371 4.362 0.009 25924 881 1 3 . 1 1 18 18 ARG C C 18 173.362 173.362 175.900 -2.538 25924 882 1 3 . 1 1 18 18 ARG CA C 18 53.709 53.709 56.254 -2.545 25924 883 1 3 . 1 1 18 18 ARG CB C 18 28.038 28.038 30.797 -2.759 25924 884 1 3 . 1 1 18 18 ARG H H 18 7.555 7.555 8.309 -0.754 25924 885 1 3 . 1 1 19 19 THR N N 19 118.668 118.668 118.417 0.251 25924 886 1 3 . 1 1 19 19 THR HA H 19 4.387 4.387 4.249 0.138 25924 887 1 3 . 1 1 19 19 THR C C 19 171.580 171.580 174.288 -2.708 25924 888 1 3 . 1 1 19 19 THR CA C 19 58.936 58.936 61.772 -2.836 25924 889 1 3 . 1 1 19 19 THR CB C 19 67.672 67.672 69.782 -2.110 25924 890 1 3 . 1 1 19 19 THR H H 19 8.540 8.540 8.478 0.062 25924 891 1 3 . 1 1 20 20 GLU N N 20 124.039 124.039 127.450 -3.411 25924 892 1 3 . 1 1 20 20 GLU HA H 20 4.075 4.075 4.141 -0.066 25924 893 1 3 . 1 1 20 20 GLU C C 20 174.446 174.446 177.445 -2.999 25924 894 1 3 . 1 1 20 20 GLU CA C 20 54.949 54.949 57.525 -2.576 25924 895 1 3 . 1 1 20 20 GLU CB C 20 26.872 26.872 29.975 -3.103 25924 896 1 3 . 1 1 20 20 GLU H H 20 8.586 8.586 8.827 -0.241 25924 897 1 3 . 1 1 21 21 GLY N N 21 111.169 111.169 113.965 -2.796 25924 898 1 3 . 1 1 21 21 GLY C C 21 171.105 171.105 174.112 -3.007 25924 899 1 3 . 1 1 21 21 GLY CA C 21 42.662 42.662 45.188 -2.526 25924 900 1 3 . 1 1 21 21 GLY H H 21 8.552 8.552 8.604 -0.052 25924 901 1 3 . 1 1 22 22 LYS N N 22 119.376 119.376 121.190 -1.814 25924 902 1 3 . 1 1 22 22 LYS HA H 22 4.453 4.453 4.627 -0.174 25924 903 1 3 . 1 1 22 22 LYS C C 22 173.525 173.525 175.294 -1.769 25924 904 1 3 . 1 1 22 22 LYS CA C 22 52.416 52.416 54.597 -2.181 25924 905 1 3 . 1 1 22 22 LYS CB C 22 31.336 31.336 34.840 -3.504 25924 906 1 3 . 1 1 22 22 LYS H H 22 7.798 7.798 7.761 0.037 25924 907 1 3 . 1 1 23 23 GLU N N 23 122.631 122.631 122.935 -0.304 25924 908 1 3 . 1 1 23 23 GLU C C 23 172.069 172.069 175.344 -3.275 25924 909 1 3 . 1 1 23 23 GLU CA C 23 51.739 51.739 55.021 -3.282 25924 910 1 3 . 1 1 23 23 GLU CB C 23 26.486 26.486 29.694 -3.208 25924 911 1 3 . 1 1 24 24 PRO HA H 24 4.402 4.402 4.407 -0.005 25924 912 1 3 . 1 1 24 24 PRO C C 24 173.547 173.547 176.022 -2.475 25924 913 1 3 . 1 1 24 24 PRO CA C 24 60.521 60.521 63.184 -2.663 25924 914 1 3 . 1 1 24 24 PRO CB C 24 29.522 29.522 32.012 -2.490 25924 915 1 3 . 1 1 25 25 ASP N N 25 121.674 121.674 123.741 -2.067 25924 916 1 3 . 1 1 25 25 ASP HA H 25 4.657 4.657 4.714 -0.057 25924 917 1 3 . 1 1 25 25 ASP C C 25 171.891 171.891 176.045 -4.154 25924 918 1 3 . 1 1 25 25 ASP CA C 25 53.718 53.718 54.107 -0.389 25924 919 1 3 . 1 1 25 25 ASP CB C 25 40.677 40.677 42.266 -1.589 25924 920 1 3 . 1 1 25 25 ASP H H 25 8.232 8.232 8.618 -0.386 25924 921 1 3 . 1 1 26 26 ILE N N 26 116.402 116.402 121.433 -5.031 25924 922 1 3 . 1 1 26 26 ILE C C 26 171.291 171.291 174.749 -3.458 25924 923 1 3 . 1 1 26 26 ILE CA C 26 55.315 55.315 58.405 -3.090 25924 924 1 3 . 1 1 26 26 ILE CB C 26 37.365 37.365 39.285 -1.920 25924 925 1 3 . 1 1 26 26 ILE H H 26 8.108 8.108 8.150 -0.042 25924 926 1 3 . 1 1 27 27 PRO HA H 27 4.723 4.723 4.639 0.084 25924 927 1 3 . 1 1 27 27 PRO C C 27 172.234 172.234 176.268 -4.034 25924 928 1 3 . 1 1 27 27 PRO CA C 27 60.676 60.676 62.676 -2.000 25924 929 1 3 . 1 1 27 27 PRO CB C 27 29.510 29.510 31.982 -2.472 25924 930 1 3 . 1 1 28 28 LEU N N 28 124.504 124.504 121.026 3.478 25924 931 1 3 . 1 1 28 28 LEU HA H 28 4.712 4.712 4.798 -0.086 25924 932 1 3 . 1 1 28 28 LEU C C 28 172.463 172.463 175.597 -3.134 25924 933 1 3 . 1 1 28 28 LEU CA C 28 50.999 50.999 54.527 -3.528 25924 934 1 3 . 1 1 28 28 LEU CB C 28 42.433 42.433 44.633 -2.200 25924 935 1 3 . 1 1 28 28 LEU H H 28 8.477 8.477 7.994 0.483 25924 936 1 3 . 1 1 29 29 TYR N N 29 123.137 123.137 120.690 2.447 25924 937 1 3 . 1 1 29 29 TYR HA H 29 5.285 5.285 4.856 0.429 25924 938 1 3 . 1 1 29 29 TYR C C 29 173.614 173.614 174.919 -1.305 25924 939 1 3 . 1 1 29 29 TYR CA C 29 54.959 54.959 56.866 -1.907 25924 940 1 3 . 1 1 29 29 TYR CB C 29 37.328 37.328 38.783 -1.455 25924 941 1 3 . 1 1 29 29 TYR H H 29 8.907 8.907 7.767 1.140 25924 942 1 3 . 1 1 30 30 LYS N N 30 122.426 122.426 125.609 -3.183 25924 943 1 3 . 1 1 30 30 LYS C C 30 172.500 172.500 175.636 -3.136 25924 944 1 3 . 1 1 30 30 LYS CA C 30 52.399 52.399 55.238 -2.839 25924 945 1 3 . 1 1 30 30 LYS CB C 30 34.086 34.086 36.638 -2.552 25924 946 1 3 . 1 1 30 30 LYS H H 30 9.344 9.344 8.759 0.585 25924 947 1 3 . 1 1 31 31 THR HA H 31 4.510 4.510 5.056 -0.546 25924 948 1 3 . 1 1 31 31 THR CA C 31 60.787 60.787 61.183 -0.396 25924 949 1 3 . 1 1 32 32 LEU N N 32 129.198 129.198 123.746 5.452 25924 950 1 3 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.652 -0.212 25924 951 1 3 . 1 1 32 32 LEU C C 32 174.368 174.368 177.327 -2.959 25924 952 1 3 . 1 1 32 32 LEU CA C 32 52.683 52.683 55.613 -2.930 25924 953 1 3 . 1 1 32 32 LEU CB C 32 40.207 40.207 42.675 -2.467 25924 954 1 3 . 1 1 32 32 LEU H H 32 9.019 9.019 8.420 0.599 25924 955 1 3 . 1 1 33 33 GLN N N 33 115.992 115.992 119.005 -3.013 25924 956 1 3 . 1 1 33 33 GLN C C 33 171.615 171.615 175.002 -3.387 25924 957 1 3 . 1 1 33 33 GLN CA C 33 53.264 53.264 55.737 -2.473 25924 958 1 3 . 1 1 33 33 GLN CB C 33 28.844 28.844 29.509 -0.665 25924 959 1 3 . 1 1 33 33 GLN H H 33 7.689 7.689 8.145 -0.456 25924 960 1 3 . 1 1 34 34 THR N N 34 119.608 119.608 112.720 6.888 25924 961 1 3 . 1 1 34 34 THR HA H 34 4.489 4.489 4.580 -0.091 25924 962 1 3 . 1 1 34 34 THR C C 34 170.622 170.622 173.613 -2.991 25924 963 1 3 . 1 1 34 34 THR CA C 34 59.144 59.144 60.646 -1.502 25924 964 1 3 . 1 1 34 34 THR CB C 34 67.805 67.805 70.189 -2.384 25924 965 1 3 . 1 1 34 34 THR H H 34 8.345 8.345 8.192 0.153 25924 966 1 3 . 1 1 35 35 VAL N N 35 120.795 120.795 118.852 1.943 25924 967 1 3 . 1 1 35 35 VAL HA H 35 4.492 4.492 4.710 -0.218 25924 968 1 3 . 1 1 35 35 VAL C C 35 172.242 172.242 174.068 -1.826 25924 969 1 3 . 1 1 35 35 VAL CA C 35 57.697 57.697 59.107 -1.410 25924 970 1 3 . 1 1 35 35 VAL CB C 35 32.804 32.804 35.385 -2.581 25924 971 1 3 . 1 1 35 35 VAL H H 35 8.134 8.134 8.248 -0.114 25924 972 1 3 . 1 1 36 36 GLY N N 36 110.608 110.608 107.990 2.618 25924 973 1 3 . 1 1 36 36 GLY C C 36 169.453 169.453 172.412 -2.959 25924 974 1 3 . 1 1 36 36 GLY CA C 36 41.094 41.094 43.961 -2.867 25924 975 1 3 . 1 1 36 36 GLY H H 36 8.229 8.229 8.502 -0.273 25924 976 1 3 . 1 1 39 39 HIS HA H 39 4.631 4.631 4.477 0.154 25924 977 1 3 . 1 1 39 39 HIS C C 39 172.140 172.140 173.703 -1.563 25924 978 1 3 . 1 1 39 39 HIS CA C 39 53.584 53.584 56.716 -3.132 25924 979 1 3 . 1 1 39 39 HIS CB C 39 27.736 27.736 31.235 -3.499 25924 980 1 3 . 1 1 40 40 ALA N N 40 128.155 128.155 124.319 3.836 25924 981 1 3 . 1 1 40 40 ALA HA H 40 4.422 4.422 4.404 0.018 25924 982 1 3 . 1 1 40 40 ALA C C 40 171.693 171.693 176.964 -5.271 25924 983 1 3 . 1 1 40 40 ALA CA C 40 48.979 48.979 51.933 -2.954 25924 984 1 3 . 1 1 40 40 ALA CB C 40 15.335 15.335 19.855 -4.521 25924 985 1 3 . 1 1 40 40 ALA H H 40 7.582 7.582 8.213 -0.631 25924 986 1 3 . 1 1 41 41 ARG N N 41 122.997 122.997 121.643 1.354 25924 987 1 3 . 1 1 41 41 ARG HA H 41 4.467 4.467 4.226 0.241 25924 988 1 3 . 1 1 41 41 ARG C C 41 174.236 174.236 175.850 -1.614 25924 989 1 3 . 1 1 41 41 ARG CA C 41 52.715 52.715 55.577 -2.862 25924 990 1 3 . 1 1 41 41 ARG CB C 41 29.506 29.506 30.851 -1.345 25924 991 1 3 . 1 1 41 41 ARG H H 41 8.090 8.090 8.527 -0.437 25924 992 1 3 . 1 1 42 42 THR N N 42 116.202 116.202 113.645 2.557 25924 993 1 3 . 1 1 42 42 THR HA H 42 4.448 4.448 5.270 -0.822 25924 994 1 3 . 1 1 42 42 THR C C 42 171.192 171.192 172.842 -1.650 25924 995 1 3 . 1 1 42 42 THR CA C 42 59.750 59.750 59.974 -0.224 25924 996 1 3 . 1 1 42 42 THR CB C 42 67.917 67.917 72.048 -4.131 25924 997 1 3 . 1 1 42 42 THR H H 42 8.572 8.572 8.510 0.062 25924 998 1 3 . 1 1 43 43 TYR N N 43 127.687 127.687 119.963 7.724 25924 999 1 3 . 1 1 43 43 TYR HA H 43 4.719 4.719 4.771 -0.052 25924 1000 1 3 . 1 1 43 43 TYR C C 43 172.160 172.160 174.953 -2.793 25924 1001 1 3 . 1 1 43 43 TYR CA C 43 54.921 54.921 57.025 -2.104 25924 1002 1 3 . 1 1 43 43 TYR CB C 43 38.220 38.220 42.845 -4.625 25924 1003 1 3 . 1 1 43 43 TYR H H 43 9.255 9.255 8.932 0.323 25924 1004 1 3 . 1 1 44 44 THR N N 44 117.178 117.178 118.588 -1.410 25924 1005 1 3 . 1 1 44 44 THR HA H 44 5.162 5.162 5.007 0.155 25924 1006 1 3 . 1 1 44 44 THR C C 44 171.330 171.330 172.776 -1.446 25924 1007 1 3 . 1 1 44 44 THR CA C 44 59.299 59.299 61.999 -2.700 25924 1008 1 3 . 1 1 44 44 THR CB C 44 67.619 67.619 70.484 -2.865 25924 1009 1 3 . 1 1 44 44 THR H H 44 8.699 8.699 8.496 0.203 25924 1010 1 3 . 1 1 45 45 VAL N N 45 128.199 128.199 126.384 1.815 25924 1011 1 3 . 1 1 45 45 VAL HA H 45 4.177 4.177 4.616 -0.439 25924 1012 1 3 . 1 1 45 45 VAL C C 45 169.635 169.635 172.947 -3.312 25924 1013 1 3 . 1 1 45 45 VAL CA C 45 57.558 57.558 59.001 -1.442 25924 1014 1 3 . 1 1 45 45 VAL CB C 45 32.829 32.829 35.689 -2.860 25924 1015 1 3 . 1 1 45 45 VAL H H 45 9.331 9.331 9.107 0.224 25924 1016 1 3 . 1 1 46 46 ALA N N 46 126.929 126.929 129.421 -2.492 25924 1017 1 3 . 1 1 46 46 ALA HA H 46 5.260 5.260 4.983 0.277 25924 1018 1 3 . 1 1 46 46 ALA C C 46 171.973 171.973 175.612 -3.639 25924 1019 1 3 . 1 1 46 46 ALA CA C 46 46.865 46.865 50.719 -3.854 25924 1020 1 3 . 1 1 46 46 ALA CB C 46 21.198 21.198 21.776 -0.578 25924 1021 1 3 . 1 1 46 46 ALA H H 46 8.961 8.961 7.844 1.117 25924 1022 1 3 . 1 1 47 47 VAL N N 47 118.914 118.914 123.621 -4.707 25924 1023 1 3 . 1 1 47 47 VAL HA H 47 4.961 4.961 4.201 0.760 25924 1024 1 3 . 1 1 47 47 VAL C C 47 170.285 170.285 175.128 -4.843 25924 1025 1 3 . 1 1 47 47 VAL CA C 47 55.384 55.384 61.677 -6.293 25924 1026 1 3 . 1 1 47 47 VAL CB C 47 32.098 32.098 32.673 -0.575 25924 1027 1 3 . 1 1 47 47 VAL H H 47 8.248 8.248 7.983 0.265 25924 1028 1 3 . 1 1 48 48 TYR N N 48 126.815 126.815 126.458 0.357 25924 1029 1 3 . 1 1 48 48 TYR HA H 48 5.217 5.217 4.573 0.644 25924 1030 1 3 . 1 1 48 48 TYR C C 48 172.504 172.504 175.057 -2.553 25924 1031 1 3 . 1 1 48 48 TYR CA C 48 53.610 53.610 57.376 -3.766 25924 1032 1 3 . 1 1 48 48 TYR CB C 48 40.339 40.339 40.467 -0.128 25924 1033 1 3 . 1 1 48 48 TYR H H 48 9.274 9.274 8.589 0.685 25924 1034 1 3 . 1 1 49 49 PHE N N 49 119.234 119.234 123.023 -3.789 25924 1035 1 3 . 1 1 49 49 PHE HA H 49 4.766 4.766 4.822 -0.056 25924 1036 1 3 . 1 1 49 49 PHE C C 49 172.390 172.390 174.964 -2.574 25924 1037 1 3 . 1 1 49 49 PHE CA C 49 54.128 54.128 57.566 -3.438 25924 1038 1 3 . 1 1 49 49 PHE CB C 49 40.240 40.240 42.395 -2.155 25924 1039 1 3 . 1 1 49 49 PHE H H 49 9.024 9.024 9.277 -0.253 25924 1040 1 3 . 1 1 50 50 LYS N N 50 128.064 128.064 125.812 2.252 25924 1041 1 3 . 1 1 50 50 LYS HA H 50 3.502 3.502 3.707 -0.205 25924 1042 1 3 . 1 1 50 50 LYS C C 50 173.659 173.659 176.330 -2.671 25924 1043 1 3 . 1 1 50 50 LYS CA C 50 54.906 54.906 57.085 -2.179 25924 1044 1 3 . 1 1 50 50 LYS CB C 50 26.726 26.726 30.506 -3.780 25924 1045 1 3 . 1 1 50 50 LYS H H 50 9.035 9.035 8.632 0.403 25924 1046 1 3 . 1 1 51 51 GLY N N 51 104.286 104.286 102.761 1.525 25924 1047 1 3 . 1 1 51 51 GLY C C 51 170.970 170.970 173.890 -2.920 25924 1048 1 3 . 1 1 51 51 GLY CA C 51 42.553 42.553 44.998 -2.445 25924 1049 1 3 . 1 1 51 51 GLY H H 51 8.893 8.893 8.151 0.742 25924 1050 1 3 . 1 1 52 52 GLU N N 52 121.087 121.087 120.640 0.447 25924 1051 1 3 . 1 1 52 52 GLU HA H 52 4.617 4.617 4.787 -0.170 25924 1052 1 3 . 1 1 52 52 GLU C C 52 172.477 172.477 175.704 -3.227 25924 1053 1 3 . 1 1 52 52 GLU CA C 52 51.709 51.709 54.662 -2.953 25924 1054 1 3 . 1 1 52 52 GLU CB C 52 29.248 29.248 32.572 -3.324 25924 1055 1 3 . 1 1 52 52 GLU H H 52 7.710 7.710 8.327 -0.617 25924 1056 1 3 . 1 1 53 53 ARG N N 53 126.720 126.720 123.613 3.107 25924 1057 1 3 . 1 1 53 53 ARG C C 53 173.977 173.977 176.436 -2.459 25924 1058 1 3 . 1 1 53 53 ARG CA C 53 54.250 54.250 56.971 -2.721 25924 1059 1 3 . 1 1 53 53 ARG CB C 53 27.373 27.373 30.701 -3.328 25924 1060 1 3 . 1 1 53 53 ARG H H 53 8.919 8.919 8.875 0.044 25924 1061 1 3 . 1 1 54 54 ILE N N 54 122.215 122.215 114.569 7.646 25924 1062 1 3 . 1 1 54 54 ILE HA H 54 4.549 4.549 4.643 -0.094 25924 1063 1 3 . 1 1 54 54 ILE C C 54 172.161 172.161 174.926 -2.765 25924 1064 1 3 . 1 1 54 54 ILE CA C 54 58.807 58.807 60.471 -1.663 25924 1065 1 3 . 1 1 54 54 ILE CB C 54 37.207 37.207 39.405 -2.198 25924 1066 1 3 . 1 1 54 54 ILE H H 54 8.920 8.920 8.172 0.748 25924 1067 1 3 . 1 1 55 55 GLY N N 55 107.034 107.034 107.276 -0.242 25924 1068 1 3 . 1 1 55 55 GLY C C 55 169.649 169.649 171.727 -2.078 25924 1069 1 3 . 1 1 55 55 GLY CA C 55 42.712 42.712 45.473 -2.761 25924 1070 1 3 . 1 1 55 55 GLY H H 55 7.233 7.233 7.520 -0.287 25924 1071 1 3 . 1 1 56 56 CYS N N 56 121.361 121.361 117.774 3.587 25924 1072 1 3 . 1 1 56 56 CYS HA H 56 5.264 5.264 5.506 -0.242 25924 1073 1 3 . 1 1 56 56 CYS C C 56 169.550 169.550 174.217 -4.667 25924 1074 1 3 . 1 1 56 56 CYS CA C 56 53.638 53.638 56.557 -2.919 25924 1075 1 3 . 1 1 56 56 CYS CB C 56 40.291 40.291 31.822 8.469 25924 1076 1 3 . 1 1 56 56 CYS H H 56 9.739 9.739 8.287 1.452 25924 1077 1 3 . 1 1 57 57 GLY N N 57 113.662 113.662 110.055 3.607 25924 1078 1 3 . 1 1 57 57 GLY C C 57 168.036 168.036 171.666 -3.630 25924 1079 1 3 . 1 1 57 57 GLY CA C 57 41.978 41.978 44.929 -2.951 25924 1080 1 3 . 1 1 57 57 GLY H H 57 9.408 9.408 8.982 0.425 25924 1081 1 3 . 1 1 58 58 LYS N N 58 117.565 117.565 119.114 -1.549 25924 1082 1 3 . 1 1 58 58 LYS HA H 58 5.981 5.981 5.430 0.551 25924 1083 1 3 . 1 1 58 58 LYS C C 58 174.185 174.185 175.530 -1.345 25924 1084 1 3 . 1 1 58 58 LYS CA C 58 51.418 51.418 54.061 -2.643 25924 1085 1 3 . 1 1 58 58 LYS CB C 58 34.533 34.533 35.949 -1.416 25924 1086 1 3 . 1 1 58 58 LYS H H 58 8.427 8.427 8.149 0.278 25924 1087 1 3 . 1 1 59 59 GLY N N 59 106.060 106.060 107.380 -1.320 25924 1088 1 3 . 1 1 59 59 GLY C C 59 168.361 168.361 172.241 -3.880 25924 1089 1 3 . 1 1 59 59 GLY CA C 59 43.281 43.281 45.792 -2.511 25924 1090 1 3 . 1 1 59 59 GLY H H 59 8.534 8.534 8.015 0.519 25924 1091 1 3 . 1 1 60 60 PRO HA H 60 5.242 5.242 4.727 0.515 25924 1092 1 3 . 1 1 60 60 PRO C C 60 172.019 172.019 176.241 -4.222 25924 1093 1 3 . 1 1 60 60 PRO CA C 60 61.161 61.161 63.644 -2.483 25924 1094 1 3 . 1 1 60 60 PRO CB C 60 29.185 29.185 32.429 -3.244 25924 1095 1 3 . 1 1 61 61 SER N N 61 110.749 110.749 109.649 1.100 25924 1096 1 3 . 1 1 61 61 SER C C 61 170.857 170.857 174.336 -3.479 25924 1097 1 3 . 1 1 61 61 SER CA C 61 53.387 53.387 56.904 -3.517 25924 1098 1 3 . 1 1 61 61 SER CB C 61 63.795 63.795 66.514 -2.719 25924 1099 1 3 . 1 1 61 61 SER H H 61 7.289 7.289 7.731 -0.442 25924 1100 1 3 . 1 1 62 62 LYS HA H 62 3.155 3.155 3.993 -0.838 25924 1101 1 3 . 1 1 62 62 LYS C C 62 175.308 175.308 178.563 -3.255 25924 1102 1 3 . 1 1 62 62 LYS CA C 62 57.915 57.915 60.161 -2.246 25924 1103 1 3 . 1 1 62 62 LYS CB C 62 28.989 28.989 32.334 -3.345 25924 1104 1 3 . 1 1 63 63 LYS N N 63 118.188 118.188 119.526 -1.338 25924 1105 1 3 . 1 1 63 63 LYS HA H 63 3.709 3.709 4.019 -0.310 25924 1106 1 3 . 1 1 63 63 LYS C C 63 175.856 175.856 178.905 -3.049 25924 1107 1 3 . 1 1 63 63 LYS CA C 63 57.097 57.097 59.330 -2.233 25924 1108 1 3 . 1 1 63 63 LYS CB C 63 29.746 29.746 32.141 -2.394 25924 1109 1 3 . 1 1 63 63 LYS H H 63 8.246 8.246 8.260 -0.014 25924 1110 1 3 . 1 1 64 64 GLN N N 64 116.733 116.733 117.226 -0.493 25924 1111 1 3 . 1 1 64 64 GLN HA H 64 3.927 3.927 4.077 -0.150 25924 1112 1 3 . 1 1 64 64 GLN C C 64 176.277 176.277 178.800 -2.523 25924 1113 1 3 . 1 1 64 64 GLN CA C 64 56.240 56.240 58.493 -2.253 25924 1114 1 3 . 1 1 64 64 GLN CB C 64 26.506 26.506 28.101 -1.595 25924 1115 1 3 . 1 1 64 64 GLN H H 64 7.701 7.701 8.409 -0.708 25924 1116 1 3 . 1 1 65 65 ALA N N 65 123.381 123.381 123.279 0.102 25924 1117 1 3 . 1 1 65 65 ALA HA H 65 3.726 3.726 4.065 -0.339 25924 1118 1 3 . 1 1 65 65 ALA C C 65 175.750 175.750 178.949 -3.199 25924 1119 1 3 . 1 1 65 65 ALA CA C 65 53.009 53.009 54.978 -1.969 25924 1120 1 3 . 1 1 65 65 ALA CB C 65 16.089 16.089 18.144 -2.055 25924 1121 1 3 . 1 1 65 65 ALA H H 65 7.933 7.933 8.092 -0.159 25924 1122 1 3 . 1 1 66 66 LYS N N 66 118.715 118.715 117.686 1.029 25924 1123 1 3 . 1 1 66 66 LYS HA H 66 3.626 3.626 3.933 -0.307 25924 1124 1 3 . 1 1 66 66 LYS C C 66 175.275 175.275 178.947 -3.672 25924 1125 1 3 . 1 1 66 66 LYS CA C 66 57.658 57.658 59.389 -1.731 25924 1126 1 3 . 1 1 66 66 LYS CB C 66 30.268 30.268 32.114 -1.846 25924 1127 1 3 . 1 1 66 66 LYS H H 66 8.353 8.353 7.679 0.674 25924 1128 1 3 . 1 1 67 67 MET N N 67 117.211 117.211 118.290 -1.079 25924 1129 1 3 . 1 1 67 67 MET HA H 67 3.821 3.821 4.107 -0.286 25924 1130 1 3 . 1 1 67 67 MET C C 67 175.660 175.660 178.507 -2.847 25924 1131 1 3 . 1 1 67 67 MET CA C 67 56.845 56.845 59.187 -2.342 25924 1132 1 3 . 1 1 67 67 MET CB C 67 29.950 29.950 32.175 -2.225 25924 1133 1 3 . 1 1 67 67 MET H H 67 8.011 8.011 7.787 0.224 25924 1134 1 3 . 1 1 68 68 GLY N N 68 105.985 105.985 106.945 -0.960 25924 1135 1 3 . 1 1 68 68 GLY C C 68 173.545 173.545 175.429 -1.884 25924 1136 1 3 . 1 1 68 68 GLY CA C 68 44.643 44.643 46.623 -1.980 25924 1137 1 3 . 1 1 68 68 GLY H H 68 8.094 8.094 7.807 0.287 25924 1138 1 3 . 1 1 69 69 ALA N N 69 127.579 127.579 124.632 2.947 25924 1139 1 3 . 1 1 69 69 ALA HA H 69 3.841 3.841 3.991 -0.150 25924 1140 1 3 . 1 1 69 69 ALA C C 69 175.840 175.840 179.252 -3.412 25924 1141 1 3 . 1 1 69 69 ALA CA C 69 52.512 52.512 54.873 -2.361 25924 1142 1 3 . 1 1 69 69 ALA CB C 69 15.069 15.069 18.446 -3.377 25924 1143 1 3 . 1 1 69 69 ALA H H 69 8.437 8.437 7.960 0.477 25924 1144 1 3 . 1 1 70 70 ALA N N 70 119.968 119.968 120.899 -0.931 25924 1145 1 3 . 1 1 70 70 ALA HA H 70 4.003 4.003 4.083 -0.080 25924 1146 1 3 . 1 1 70 70 ALA C C 70 176.847 176.847 179.353 -2.506 25924 1147 1 3 . 1 1 70 70 ALA CA C 70 52.759 52.759 54.975 -2.216 25924 1148 1 3 . 1 1 70 70 ALA CB C 70 15.297 15.297 18.206 -2.909 25924 1149 1 3 . 1 1 70 70 ALA H H 70 8.219 8.219 8.580 -0.361 25924 1150 1 3 . 1 1 71 71 MET N N 71 115.754 115.754 118.364 -2.610 25924 1151 1 3 . 1 1 71 71 MET HA H 71 4.010 4.010 3.987 0.023 25924 1152 1 3 . 1 1 71 71 MET C C 71 175.596 175.596 177.635 -2.039 25924 1153 1 3 . 1 1 71 71 MET CA C 71 56.613 56.613 58.907 -2.294 25924 1154 1 3 . 1 1 71 71 MET CB C 71 30.407 30.407 32.529 -2.122 25924 1155 1 3 . 1 1 71 71 MET H H 71 8.294 8.294 7.914 0.380 25924 1156 1 3 . 1 1 72 72 ASP N N 72 120.287 120.287 120.087 0.200 25924 1157 1 3 . 1 1 72 72 ASP HA H 72 4.389 4.389 4.448 -0.059 25924 1158 1 3 . 1 1 72 72 ASP C C 72 175.052 175.052 178.024 -2.972 25924 1159 1 3 . 1 1 72 72 ASP CA C 72 54.995 54.995 57.905 -2.910 25924 1160 1 3 . 1 1 72 72 ASP CB C 72 40.461 40.461 40.982 -0.521 25924 1161 1 3 . 1 1 72 72 ASP H H 72 8.045 8.045 8.101 -0.056 25924 1162 1 3 . 1 1 73 73 ALA N N 73 119.640 119.640 122.491 -2.851 25924 1163 1 3 . 1 1 73 73 ALA HA H 73 4.188 4.188 4.232 -0.044 25924 1164 1 3 . 1 1 73 73 ALA C C 73 177.251 177.251 179.648 -2.397 25924 1165 1 3 . 1 1 73 73 ALA CA C 73 52.041 52.041 54.880 -2.839 25924 1166 1 3 . 1 1 73 73 ALA CB C 73 16.473 16.473 18.617 -2.144 25924 1167 1 3 . 1 1 73 73 ALA H H 73 8.028 8.028 7.554 0.474 25924 1168 1 3 . 1 1 74 74 LEU N N 74 117.010 117.010 118.166 -1.156 25924 1169 1 3 . 1 1 74 74 LEU HA H 74 3.992 3.992 3.778 0.214 25924 1170 1 3 . 1 1 74 74 LEU C C 74 176.643 176.643 179.291 -2.648 25924 1171 1 3 . 1 1 74 74 LEU CA C 74 55.519 55.519 57.776 -2.257 25924 1172 1 3 . 1 1 74 74 LEU CB C 74 39.698 39.698 40.856 -1.158 25924 1173 1 3 . 1 1 74 74 LEU H H 74 8.397 8.397 7.695 0.702 25924 1174 1 3 . 1 1 75 75 GLU N N 75 117.709 117.709 118.330 -0.621 25924 1175 1 3 . 1 1 75 75 GLU HA H 75 4.109 4.109 3.730 0.379 25924 1176 1 3 . 1 1 75 75 GLU C C 75 175.976 175.976 178.163 -2.187 25924 1177 1 3 . 1 1 75 75 GLU CA C 75 55.916 55.916 58.745 -2.829 25924 1178 1 3 . 1 1 75 75 GLU CB C 75 27.425 27.425 29.485 -2.060 25924 1179 1 3 . 1 1 75 75 GLU H H 75 7.812 7.812 8.164 -0.352 25924 1180 1 3 . 1 1 76 76 LYS N N 76 117.440 117.440 114.430 3.010 25924 1181 1 3 . 1 1 76 76 LYS HA H 76 4.140 4.140 4.277 -0.137 25924 1182 1 3 . 1 1 76 76 LYS C C 76 174.882 174.882 176.368 -1.486 25924 1183 1 3 . 1 1 76 76 LYS CA C 76 55.187 55.187 56.330 -1.143 25924 1184 1 3 . 1 1 76 76 LYS CB C 76 31.270 31.270 32.992 -1.722 25924 1185 1 3 . 1 1 76 76 LYS H H 76 7.892 7.892 7.605 0.287 25924 1186 1 3 . 1 1 77 77 TYR N N 77 120.225 120.225 116.813 3.412 25924 1187 1 3 . 1 1 77 77 TYR HA H 77 4.044 4.044 4.256 -0.212 25924 1188 1 3 . 1 1 77 77 TYR C C 77 172.041 172.041 174.460 -2.419 25924 1189 1 3 . 1 1 77 77 TYR CA C 77 56.878 56.878 58.168 -1.290 25924 1190 1 3 . 1 1 77 77 TYR CB C 77 35.852 35.852 36.718 -0.866 25924 1191 1 3 . 1 1 77 77 TYR H H 77 8.149 8.149 7.103 1.046 25924 1192 1 3 . 1 1 78 78 ASN N N 78 121.088 121.088 120.003 1.085 25924 1193 1 3 . 1 1 78 78 ASN HA H 78 4.537 4.537 4.739 -0.202 25924 1194 1 3 . 1 1 78 78 ASN C C 78 171.116 171.116 175.470 -4.354 25924 1195 1 3 . 1 1 78 78 ASN CA C 78 49.866 49.866 52.785 -2.919 25924 1196 1 3 . 1 1 78 78 ASN CB C 78 35.302 35.302 38.837 -3.535 25924 1197 1 3 . 1 1 78 78 ASN H H 78 7.436 7.436 8.270 -0.834 25924 1198 1 3 . 1 1 79 79 PHE N N 79 122.211 122.211 118.947 3.264 25924 1199 1 3 . 1 1 79 79 PHE C C 79 171.220 171.220 173.682 -2.462 25924 1200 1 3 . 1 1 79 79 PHE CA C 79 54.195 54.195 57.281 -3.086 25924 1201 1 3 . 1 1 79 79 PHE CB C 79 35.969 35.969 38.010 -2.041 25924 1202 1 3 . 1 1 79 79 PHE H H 79 7.901 7.901 8.584 -0.683 25924 1203 1 3 . 1 1 80 80 PRO HA H 80 4.367 4.367 4.435 -0.068 25924 1204 1 3 . 1 1 80 80 PRO C C 80 173.721 173.721 175.463 -1.742 25924 1205 1 3 . 1 1 80 80 PRO CA C 80 60.634 60.634 63.377 -2.743 25924 1206 1 3 . 1 1 80 80 PRO CB C 80 29.356 29.356 32.353 -2.998 25924 1207 1 3 . 1 1 81 81 GLN N N 81 120.432 120.432 119.105 1.327 25924 1208 1 3 . 1 1 81 81 GLN HA H 81 4.232 4.232 4.839 -0.607 25924 1209 1 3 . 1 1 81 81 GLN C C 81 172.475 172.475 174.060 -1.585 25924 1210 1 3 . 1 1 81 81 GLN CA C 81 53.216 53.216 54.729 -1.513 25924 1211 1 3 . 1 1 81 81 GLN CB C 81 26.823 26.823 31.292 -4.469 25924 1212 1 3 . 1 1 81 81 GLN H H 81 8.347 8.347 8.450 -0.103 25924 1213 1 4 . 1 1 6 6 PRO HA H 6 4.233 4.233 4.509 -0.276 25924 1214 1 4 . 1 1 6 6 PRO C C 6 174.849 174.849 178.079 -3.230 25924 1215 1 4 . 1 1 6 6 PRO CA C 6 62.494 62.494 62.025 0.469 25924 1216 1 4 . 1 1 6 6 PRO CB C 6 30.061 30.061 32.667 -2.606 25924 1217 1 4 . 1 1 7 7 ILE N N 7 118.341 118.341 120.607 -2.266 25924 1218 1 4 . 1 1 7 7 ILE HA H 7 3.556 3.556 3.835 -0.279 25924 1219 1 4 . 1 1 7 7 ILE C C 7 177.294 177.294 177.318 -0.024 25924 1220 1 4 . 1 1 7 7 ILE CA C 7 62.546 62.546 62.387 0.159 25924 1221 1 4 . 1 1 7 7 ILE CB C 7 34.984 34.984 37.819 -2.835 25924 1222 1 4 . 1 1 7 7 ILE H H 7 7.420 7.420 8.332 -0.912 25924 1223 1 4 . 1 1 8 8 SER N N 8 118.043 118.043 115.239 2.804 25924 1224 1 4 . 1 1 8 8 SER HA H 8 4.140 4.140 3.997 0.143 25924 1225 1 4 . 1 1 8 8 SER C C 8 174.216 174.216 176.180 -1.964 25924 1226 1 4 . 1 1 8 8 SER CA C 8 58.686 58.686 61.072 -2.386 25924 1227 1 4 . 1 1 8 8 SER CB C 8 59.913 59.913 62.429 -2.516 25924 1228 1 4 . 1 1 8 8 SER H H 8 7.867 7.867 8.320 -0.453 25924 1229 1 4 . 1 1 9 9 GLN N N 9 121.528 121.528 122.030 -0.502 25924 1230 1 4 . 1 1 9 9 GLN HA H 9 3.894 3.894 3.997 -0.103 25924 1231 1 4 . 1 1 9 9 GLN C C 9 175.750 175.750 177.983 -2.233 25924 1232 1 4 . 1 1 9 9 GLN CA C 9 56.418 56.418 59.047 -2.629 25924 1233 1 4 . 1 1 9 9 GLN CB C 9 26.763 26.763 28.557 -1.794 25924 1234 1 4 . 1 1 9 9 GLN H H 9 8.384 8.384 7.651 0.733 25924 1235 1 4 . 1 1 10 10 LEU N N 10 120.026 120.026 119.856 0.170 25924 1236 1 4 . 1 1 10 10 LEU HA H 10 3.903 3.903 3.871 0.032 25924 1237 1 4 . 1 1 10 10 LEU C C 10 174.336 174.336 179.199 -4.863 25924 1238 1 4 . 1 1 10 10 LEU CA C 10 55.816 55.816 57.527 -1.711 25924 1239 1 4 . 1 1 10 10 LEU CB C 10 38.168 38.168 41.556 -3.388 25924 1240 1 4 . 1 1 10 10 LEU H H 10 8.357 8.357 7.840 0.517 25924 1241 1 4 . 1 1 11 11 GLN N N 11 116.550 116.550 119.056 -2.506 25924 1242 1 4 . 1 1 11 11 GLN HA H 11 3.591 3.591 3.881 -0.290 25924 1243 1 4 . 1 1 11 11 GLN C C 11 175.196 175.196 178.267 -3.071 25924 1244 1 4 . 1 1 11 11 GLN CA C 11 57.729 57.729 59.032 -1.303 25924 1245 1 4 . 1 1 11 11 GLN CB C 11 20.954 20.954 28.209 -7.255 25924 1246 1 4 . 1 1 11 11 GLN H H 11 7.445 7.445 7.901 -0.456 25924 1247 1 4 . 1 1 12 12 GLN N N 12 116.948 116.948 119.638 -2.690 25924 1248 1 4 . 1 1 12 12 GLN HA H 12 3.940 3.940 3.964 -0.024 25924 1249 1 4 . 1 1 12 12 GLN C C 12 176.463 176.463 178.524 -2.061 25924 1250 1 4 . 1 1 12 12 GLN CA C 12 56.111 56.111 59.130 -3.019 25924 1251 1 4 . 1 1 12 12 GLN CB C 12 25.406 25.406 28.748 -3.342 25924 1252 1 4 . 1 1 12 12 GLN H H 12 8.159 8.159 8.473 -0.314 25924 1253 1 4 . 1 1 13 13 CYS N N 13 119.104 119.104 119.140 -0.036 25924 1254 1 4 . 1 1 13 13 CYS HA H 13 4.246 4.246 4.013 0.233 25924 1255 1 4 . 1 1 13 13 CYS C C 13 174.884 174.884 176.696 -1.812 25924 1256 1 4 . 1 1 13 13 CYS CA C 13 55.688 55.688 62.606 -6.918 25924 1257 1 4 . 1 1 13 13 CYS CB C 13 36.819 36.819 27.783 9.036 25924 1258 1 4 . 1 1 13 13 CYS H H 13 8.255 8.255 8.605 -0.350 25924 1259 1 4 . 1 1 14 14 CYS N N 14 119.738 119.738 119.311 0.427 25924 1260 1 4 . 1 1 14 14 CYS HA H 14 3.872 3.872 3.982 -0.110 25924 1261 1 4 . 1 1 14 14 CYS C C 14 174.825 174.825 176.730 -1.905 25924 1262 1 4 . 1 1 14 14 CYS CA C 14 59.649 59.649 63.461 -3.812 25924 1263 1 4 . 1 1 14 14 CYS CB C 14 30.799 30.799 27.312 3.487 25924 1264 1 4 . 1 1 14 14 CYS H H 14 8.472 8.472 8.485 -0.013 25924 1265 1 4 . 1 1 15 15 LEU N N 15 120.206 120.206 120.204 0.002 25924 1266 1 4 . 1 1 15 15 LEU HA H 15 4.164 4.164 4.053 0.112 25924 1267 1 4 . 1 1 15 15 LEU C C 15 176.334 176.334 178.406 -2.072 25924 1268 1 4 . 1 1 15 15 LEU CA C 15 55.008 55.008 58.076 -3.068 25924 1269 1 4 . 1 1 15 15 LEU CB C 15 39.276 39.276 42.221 -2.945 25924 1270 1 4 . 1 1 15 15 LEU H H 15 7.875 7.875 8.142 -0.267 25924 1271 1 4 . 1 1 16 16 THR N N 16 111.015 111.015 112.674 -1.659 25924 1272 1 4 . 1 1 16 16 THR HA H 16 4.188 4.188 4.284 -0.096 25924 1273 1 4 . 1 1 16 16 THR C C 16 172.543 172.543 174.762 -2.219 25924 1274 1 4 . 1 1 16 16 THR CA C 16 61.556 61.556 64.779 -3.223 25924 1275 1 4 . 1 1 16 16 THR CB C 16 67.074 67.074 69.877 -2.803 25924 1276 1 4 . 1 1 16 16 THR H H 16 7.636 7.636 7.821 -0.185 25924 1277 1 4 . 1 1 17 17 LEU N N 17 121.097 121.097 121.195 -0.098 25924 1278 1 4 . 1 1 17 17 LEU HA H 17 4.366 4.366 3.836 0.530 25924 1279 1 4 . 1 1 17 17 LEU C C 17 174.215 174.215 175.118 -0.903 25924 1280 1 4 . 1 1 17 17 LEU CA C 17 52.269 52.269 55.608 -3.339 25924 1281 1 4 . 1 1 17 17 LEU CB C 17 39.018 39.018 41.385 -2.367 25924 1282 1 4 . 1 1 17 17 LEU H H 17 7.364 7.364 7.887 -0.523 25924 1283 1 4 . 1 1 18 18 ARG N N 18 120.709 120.709 123.881 -3.172 25924 1284 1 4 . 1 1 18 18 ARG HA H 18 4.371 4.371 4.295 0.076 25924 1285 1 4 . 1 1 18 18 ARG C C 18 173.362 173.362 176.088 -2.726 25924 1286 1 4 . 1 1 18 18 ARG CA C 18 53.709 53.709 56.256 -2.547 25924 1287 1 4 . 1 1 18 18 ARG CB C 18 28.038 28.038 29.576 -1.538 25924 1288 1 4 . 1 1 18 18 ARG H H 18 7.555 7.555 8.476 -0.921 25924 1289 1 4 . 1 1 19 19 THR N N 19 118.668 118.668 119.707 -1.039 25924 1290 1 4 . 1 1 19 19 THR HA H 19 4.387 4.387 4.549 -0.162 25924 1291 1 4 . 1 1 19 19 THR C C 19 171.580 171.580 173.422 -1.842 25924 1292 1 4 . 1 1 19 19 THR CA C 19 58.936 58.936 61.527 -2.591 25924 1293 1 4 . 1 1 19 19 THR CB C 19 67.672 67.672 71.660 -3.988 25924 1294 1 4 . 1 1 19 19 THR H H 19 8.540 8.540 8.391 0.149 25924 1295 1 4 . 1 1 20 20 GLU N N 20 124.039 124.039 126.439 -2.400 25924 1296 1 4 . 1 1 20 20 GLU HA H 20 4.075 4.075 4.079 -0.004 25924 1297 1 4 . 1 1 20 20 GLU C C 20 174.446 174.446 177.024 -2.578 25924 1298 1 4 . 1 1 20 20 GLU CA C 20 54.949 54.949 57.154 -2.205 25924 1299 1 4 . 1 1 20 20 GLU CB C 20 26.872 26.872 29.537 -2.665 25924 1300 1 4 . 1 1 20 20 GLU H H 20 8.586 8.586 8.850 -0.264 25924 1301 1 4 . 1 1 21 21 GLY N N 21 111.169 111.169 111.732 -0.563 25924 1302 1 4 . 1 1 21 21 GLY C C 21 171.105 171.105 173.884 -2.779 25924 1303 1 4 . 1 1 21 21 GLY CA C 21 42.662 42.662 44.942 -2.280 25924 1304 1 4 . 1 1 21 21 GLY H H 21 8.552 8.552 8.759 -0.207 25924 1305 1 4 . 1 1 22 22 LYS N N 22 119.376 119.376 121.625 -2.249 25924 1306 1 4 . 1 1 22 22 LYS HA H 22 4.453 4.453 4.558 -0.105 25924 1307 1 4 . 1 1 22 22 LYS C C 22 173.525 173.525 175.597 -2.072 25924 1308 1 4 . 1 1 22 22 LYS CA C 22 52.416 52.416 55.293 -2.877 25924 1309 1 4 . 1 1 22 22 LYS CB C 22 31.336 31.336 34.342 -3.006 25924 1310 1 4 . 1 1 22 22 LYS H H 22 7.798 7.798 7.608 0.190 25924 1311 1 4 . 1 1 23 23 GLU N N 23 122.631 122.631 124.493 -1.862 25924 1312 1 4 . 1 1 23 23 GLU C C 23 172.069 172.069 175.176 -3.107 25924 1313 1 4 . 1 1 23 23 GLU CA C 23 51.739 51.739 54.916 -3.176 25924 1314 1 4 . 1 1 23 23 GLU CB C 23 26.486 26.486 29.324 -2.838 25924 1315 1 4 . 1 1 24 24 PRO HA H 24 4.402 4.402 4.289 0.113 25924 1316 1 4 . 1 1 24 24 PRO C C 24 173.547 173.547 176.597 -3.050 25924 1317 1 4 . 1 1 24 24 PRO CA C 24 60.521 60.521 63.338 -2.817 25924 1318 1 4 . 1 1 24 24 PRO CB C 24 29.522 29.522 31.977 -2.455 25924 1319 1 4 . 1 1 25 25 ASP N N 25 121.674 121.674 123.819 -2.145 25924 1320 1 4 . 1 1 25 25 ASP HA H 25 4.657 4.657 4.631 0.026 25924 1321 1 4 . 1 1 25 25 ASP C C 25 171.891 171.891 175.770 -3.879 25924 1322 1 4 . 1 1 25 25 ASP CA C 25 53.718 53.718 53.525 0.193 25924 1323 1 4 . 1 1 25 25 ASP CB C 25 40.677 40.677 41.912 -1.235 25924 1324 1 4 . 1 1 25 25 ASP H H 25 8.232 8.232 8.570 -0.338 25924 1325 1 4 . 1 1 26 26 ILE N N 26 116.402 116.402 115.262 1.140 25924 1326 1 4 . 1 1 26 26 ILE C C 26 171.291 171.291 173.853 -2.562 25924 1327 1 4 . 1 1 26 26 ILE CA C 26 55.315 55.315 58.725 -3.410 25924 1328 1 4 . 1 1 26 26 ILE CB C 26 37.365 37.365 37.092 0.273 25924 1329 1 4 . 1 1 26 26 ILE H H 26 8.108 8.108 7.970 0.138 25924 1330 1 4 . 1 1 27 27 PRO HA H 27 4.723 4.723 4.475 0.248 25924 1331 1 4 . 1 1 27 27 PRO C C 27 172.234 172.234 176.055 -3.821 25924 1332 1 4 . 1 1 27 27 PRO CA C 27 60.676 60.676 63.001 -2.325 25924 1333 1 4 . 1 1 27 27 PRO CB C 27 29.510 29.510 32.373 -2.863 25924 1334 1 4 . 1 1 28 28 LEU N N 28 124.504 124.504 126.899 -2.395 25924 1335 1 4 . 1 1 28 28 LEU HA H 28 4.712 4.712 4.771 -0.059 25924 1336 1 4 . 1 1 28 28 LEU C C 28 172.463 172.463 174.782 -2.319 25924 1337 1 4 . 1 1 28 28 LEU CA C 28 50.999 50.999 54.958 -3.959 25924 1338 1 4 . 1 1 28 28 LEU CB C 28 42.433 42.433 44.428 -1.995 25924 1339 1 4 . 1 1 28 28 LEU H H 28 8.477 8.477 8.150 0.327 25924 1340 1 4 . 1 1 29 29 TYR N N 29 123.137 123.137 121.734 1.403 25924 1341 1 4 . 1 1 29 29 TYR HA H 29 5.285 5.285 4.984 0.301 25924 1342 1 4 . 1 1 29 29 TYR C C 29 173.614 173.614 174.499 -0.885 25924 1343 1 4 . 1 1 29 29 TYR CA C 29 54.959 54.959 56.266 -1.307 25924 1344 1 4 . 1 1 29 29 TYR CB C 29 37.328 37.328 39.207 -1.879 25924 1345 1 4 . 1 1 29 29 TYR H H 29 8.907 8.907 8.077 0.830 25924 1346 1 4 . 1 1 30 30 LYS N N 30 122.426 122.426 126.499 -4.073 25924 1347 1 4 . 1 1 30 30 LYS C C 30 172.500 172.500 175.119 -2.619 25924 1348 1 4 . 1 1 30 30 LYS CA C 30 52.399 52.399 55.296 -2.897 25924 1349 1 4 . 1 1 30 30 LYS CB C 30 34.086 34.086 34.953 -0.867 25924 1350 1 4 . 1 1 30 30 LYS H H 30 9.344 9.344 8.457 0.887 25924 1351 1 4 . 1 1 31 31 THR HA H 31 4.510 4.510 4.473 0.037 25924 1352 1 4 . 1 1 31 31 THR CA C 31 60.787 60.787 62.625 -1.838 25924 1353 1 4 . 1 1 32 32 LEU N N 32 129.198 129.198 123.051 6.147 25924 1354 1 4 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.583 -0.143 25924 1355 1 4 . 1 1 32 32 LEU C C 32 174.368 174.368 177.383 -3.015 25924 1356 1 4 . 1 1 32 32 LEU CA C 32 52.683 52.683 56.160 -3.477 25924 1357 1 4 . 1 1 32 32 LEU CB C 32 40.207 40.207 42.954 -2.747 25924 1358 1 4 . 1 1 32 32 LEU H H 32 9.019 9.019 8.982 0.037 25924 1359 1 4 . 1 1 33 33 GLN N N 33 115.992 115.992 116.672 -0.680 25924 1360 1 4 . 1 1 33 33 GLN C C 33 171.615 171.615 174.179 -2.564 25924 1361 1 4 . 1 1 33 33 GLN CA C 33 53.264 53.264 55.454 -2.190 25924 1362 1 4 . 1 1 33 33 GLN CB C 33 28.844 28.844 32.148 -3.304 25924 1363 1 4 . 1 1 33 33 GLN H H 33 7.689 7.689 7.921 -0.232 25924 1364 1 4 . 1 1 34 34 THR N N 34 119.608 119.608 119.409 0.199 25924 1365 1 4 . 1 1 34 34 THR HA H 34 4.489 4.489 4.921 -0.432 25924 1366 1 4 . 1 1 34 34 THR C C 34 170.622 170.622 173.558 -2.936 25924 1367 1 4 . 1 1 34 34 THR CA C 34 59.144 59.144 61.230 -2.086 25924 1368 1 4 . 1 1 34 34 THR CB C 34 67.805 67.805 69.759 -1.954 25924 1369 1 4 . 1 1 34 34 THR H H 34 8.345 8.345 8.268 0.077 25924 1370 1 4 . 1 1 35 35 VAL N N 35 120.795 120.795 121.844 -1.049 25924 1371 1 4 . 1 1 35 35 VAL HA H 35 4.492 4.492 4.677 -0.185 25924 1372 1 4 . 1 1 35 35 VAL C C 35 172.242 172.242 174.136 -1.894 25924 1373 1 4 . 1 1 35 35 VAL CA C 35 57.697 57.697 58.976 -1.279 25924 1374 1 4 . 1 1 35 35 VAL CB C 35 32.804 32.804 35.358 -2.554 25924 1375 1 4 . 1 1 35 35 VAL H H 35 8.134 8.134 8.785 -0.651 25924 1376 1 4 . 1 1 36 36 GLY N N 36 110.608 110.608 109.205 1.403 25924 1377 1 4 . 1 1 36 36 GLY C C 36 169.453 169.453 172.366 -2.913 25924 1378 1 4 . 1 1 36 36 GLY CA C 36 41.094 41.094 43.762 -2.668 25924 1379 1 4 . 1 1 36 36 GLY H H 36 8.229 8.229 8.553 -0.324 25924 1380 1 4 . 1 1 39 39 HIS HA H 39 4.631 4.631 4.648 -0.017 25924 1381 1 4 . 1 1 39 39 HIS C C 39 172.140 172.140 174.094 -1.954 25924 1382 1 4 . 1 1 39 39 HIS CA C 39 53.584 53.584 55.109 -1.525 25924 1383 1 4 . 1 1 39 39 HIS CB C 39 27.736 27.736 30.883 -3.147 25924 1384 1 4 . 1 1 40 40 ALA N N 40 128.155 128.155 123.749 4.406 25924 1385 1 4 . 1 1 40 40 ALA HA H 40 4.422 4.422 4.562 -0.140 25924 1386 1 4 . 1 1 40 40 ALA C C 40 171.693 171.693 177.296 -5.603 25924 1387 1 4 . 1 1 40 40 ALA CA C 40 48.979 48.979 51.580 -2.601 25924 1388 1 4 . 1 1 40 40 ALA CB C 40 15.335 15.335 19.875 -4.540 25924 1389 1 4 . 1 1 40 40 ALA H H 40 7.582 7.582 8.312 -0.730 25924 1390 1 4 . 1 1 41 41 ARG N N 41 122.997 122.997 121.147 1.850 25924 1391 1 4 . 1 1 41 41 ARG HA H 41 4.467 4.467 4.512 -0.045 25924 1392 1 4 . 1 1 41 41 ARG C C 41 174.236 174.236 175.778 -1.542 25924 1393 1 4 . 1 1 41 41 ARG CA C 41 52.715 52.715 55.969 -3.254 25924 1394 1 4 . 1 1 41 41 ARG CB C 41 29.506 29.506 30.805 -1.299 25924 1395 1 4 . 1 1 41 41 ARG H H 41 8.090 8.090 8.442 -0.352 25924 1396 1 4 . 1 1 42 42 THR N N 42 116.202 116.202 118.591 -2.389 25924 1397 1 4 . 1 1 42 42 THR HA H 42 4.448 4.448 5.033 -0.585 25924 1398 1 4 . 1 1 42 42 THR C C 42 171.192 171.192 173.049 -1.857 25924 1399 1 4 . 1 1 42 42 THR CA C 42 59.750 59.750 61.605 -1.855 25924 1400 1 4 . 1 1 42 42 THR CB C 42 67.917 67.917 71.371 -3.454 25924 1401 1 4 . 1 1 42 42 THR H H 42 8.572 8.572 8.853 -0.281 25924 1402 1 4 . 1 1 43 43 TYR N N 43 127.687 127.687 125.945 1.742 25924 1403 1 4 . 1 1 43 43 TYR HA H 43 4.719 4.719 4.611 0.108 25924 1404 1 4 . 1 1 43 43 TYR C C 43 172.160 172.160 174.894 -2.734 25924 1405 1 4 . 1 1 43 43 TYR CA C 43 54.921 54.921 57.550 -2.629 25924 1406 1 4 . 1 1 43 43 TYR CB C 43 38.220 38.220 40.528 -2.308 25924 1407 1 4 . 1 1 43 43 TYR H H 43 9.255 9.255 9.312 -0.057 25924 1408 1 4 . 1 1 44 44 THR N N 44 117.178 117.178 118.837 -1.659 25924 1409 1 4 . 1 1 44 44 THR HA H 44 5.162 5.162 4.980 0.182 25924 1410 1 4 . 1 1 44 44 THR C C 44 171.330 171.330 172.552 -1.222 25924 1411 1 4 . 1 1 44 44 THR CA C 44 59.299 59.299 61.849 -2.550 25924 1412 1 4 . 1 1 44 44 THR CB C 44 67.619 67.619 70.845 -3.226 25924 1413 1 4 . 1 1 44 44 THR H H 44 8.699 8.699 8.683 0.016 25924 1414 1 4 . 1 1 45 45 VAL N N 45 128.199 128.199 125.759 2.440 25924 1415 1 4 . 1 1 45 45 VAL HA H 45 4.177 4.177 4.546 -0.369 25924 1416 1 4 . 1 1 45 45 VAL C C 45 169.635 169.635 172.593 -2.958 25924 1417 1 4 . 1 1 45 45 VAL CA C 45 57.558 57.558 59.719 -2.161 25924 1418 1 4 . 1 1 45 45 VAL CB C 45 32.829 32.829 35.111 -2.282 25924 1419 1 4 . 1 1 45 45 VAL H H 45 9.331 9.331 8.741 0.590 25924 1420 1 4 . 1 1 46 46 ALA N N 46 126.929 126.929 129.715 -2.786 25924 1421 1 4 . 1 1 46 46 ALA HA H 46 5.260 5.260 4.918 0.342 25924 1422 1 4 . 1 1 46 46 ALA C C 46 171.973 171.973 175.554 -3.581 25924 1423 1 4 . 1 1 46 46 ALA CA C 46 46.865 46.865 50.825 -3.959 25924 1424 1 4 . 1 1 46 46 ALA CB C 46 21.198 21.198 21.598 -0.400 25924 1425 1 4 . 1 1 46 46 ALA H H 46 8.961 8.961 8.319 0.642 25924 1426 1 4 . 1 1 47 47 VAL N N 47 118.914 118.914 123.655 -4.741 25924 1427 1 4 . 1 1 47 47 VAL HA H 47 4.961 4.961 4.139 0.822 25924 1428 1 4 . 1 1 47 47 VAL C C 47 170.285 170.285 174.811 -4.526 25924 1429 1 4 . 1 1 47 47 VAL CA C 47 55.384 55.384 61.758 -6.375 25924 1430 1 4 . 1 1 47 47 VAL CB C 47 32.098 32.098 33.358 -1.260 25924 1431 1 4 . 1 1 47 47 VAL H H 47 8.248 8.248 8.459 -0.211 25924 1432 1 4 . 1 1 48 48 TYR N N 48 126.815 126.815 125.469 1.346 25924 1433 1 4 . 1 1 48 48 TYR HA H 48 5.217 5.217 4.888 0.329 25924 1434 1 4 . 1 1 48 48 TYR C C 48 172.504 172.504 175.194 -2.690 25924 1435 1 4 . 1 1 48 48 TYR CA C 48 53.610 53.610 56.751 -3.141 25924 1436 1 4 . 1 1 48 48 TYR CB C 48 40.339 40.339 39.474 0.865 25924 1437 1 4 . 1 1 48 48 TYR H H 48 9.274 9.274 8.558 0.716 25924 1438 1 4 . 1 1 49 49 PHE N N 49 119.234 119.234 125.346 -6.112 25924 1439 1 4 . 1 1 49 49 PHE HA H 49 4.766 4.766 4.838 -0.072 25924 1440 1 4 . 1 1 49 49 PHE C C 49 172.390 172.390 175.872 -3.482 25924 1441 1 4 . 1 1 49 49 PHE CA C 49 54.128 54.128 56.854 -2.726 25924 1442 1 4 . 1 1 49 49 PHE CB C 49 40.240 40.240 40.863 -0.623 25924 1443 1 4 . 1 1 49 49 PHE H H 49 9.024 9.024 9.553 -0.529 25924 1444 1 4 . 1 1 50 50 LYS N N 50 128.064 128.064 127.358 0.706 25924 1445 1 4 . 1 1 50 50 LYS HA H 50 3.502 3.502 3.715 -0.213 25924 1446 1 4 . 1 1 50 50 LYS C C 50 173.659 173.659 176.147 -2.488 25924 1447 1 4 . 1 1 50 50 LYS CA C 50 54.906 54.906 56.521 -1.615 25924 1448 1 4 . 1 1 50 50 LYS CB C 50 26.726 26.726 29.954 -3.228 25924 1449 1 4 . 1 1 50 50 LYS H H 50 9.035 9.035 9.017 0.018 25924 1450 1 4 . 1 1 51 51 GLY N N 51 104.286 104.286 103.982 0.304 25924 1451 1 4 . 1 1 51 51 GLY C C 51 170.970 170.970 173.904 -2.934 25924 1452 1 4 . 1 1 51 51 GLY CA C 51 42.553 42.553 45.182 -2.629 25924 1453 1 4 . 1 1 51 51 GLY H H 51 8.893 8.893 8.539 0.354 25924 1454 1 4 . 1 1 52 52 GLU N N 52 121.087 121.087 119.557 1.530 25924 1455 1 4 . 1 1 52 52 GLU HA H 52 4.617 4.617 4.670 -0.053 25924 1456 1 4 . 1 1 52 52 GLU C C 52 172.477 172.477 174.850 -2.373 25924 1457 1 4 . 1 1 52 52 GLU CA C 52 51.709 51.709 54.312 -2.603 25924 1458 1 4 . 1 1 52 52 GLU CB C 52 29.248 29.248 33.018 -3.770 25924 1459 1 4 . 1 1 52 52 GLU H H 52 7.710 7.710 7.912 -0.202 25924 1460 1 4 . 1 1 53 53 ARG N N 53 126.720 126.720 127.599 -0.879 25924 1461 1 4 . 1 1 53 53 ARG C C 53 173.977 173.977 175.976 -1.999 25924 1462 1 4 . 1 1 53 53 ARG CA C 53 54.250 54.250 57.718 -3.468 25924 1463 1 4 . 1 1 53 53 ARG CB C 53 27.373 27.373 30.381 -3.008 25924 1464 1 4 . 1 1 53 53 ARG H H 53 8.919 8.919 8.967 -0.048 25924 1465 1 4 . 1 1 54 54 ILE N N 54 122.215 122.215 125.946 -3.731 25924 1466 1 4 . 1 1 54 54 ILE HA H 54 4.549 4.549 4.361 0.188 25924 1467 1 4 . 1 1 54 54 ILE C C 54 172.161 172.161 173.682 -1.521 25924 1468 1 4 . 1 1 54 54 ILE CA C 54 58.807 58.807 60.493 -1.686 25924 1469 1 4 . 1 1 54 54 ILE CB C 54 37.207 37.207 40.473 -3.266 25924 1470 1 4 . 1 1 54 54 ILE H H 54 8.920 8.920 8.156 0.764 25924 1471 1 4 . 1 1 55 55 GLY N N 55 107.034 107.034 104.330 2.704 25924 1472 1 4 . 1 1 55 55 GLY C C 55 169.649 169.649 171.461 -1.812 25924 1473 1 4 . 1 1 55 55 GLY CA C 55 42.712 42.712 45.373 -2.661 25924 1474 1 4 . 1 1 55 55 GLY H H 55 7.233 7.233 7.385 -0.152 25924 1475 1 4 . 1 1 56 56 CYS N N 56 121.361 121.361 117.450 3.911 25924 1476 1 4 . 1 1 56 56 CYS HA H 56 5.264 5.264 5.406 -0.142 25924 1477 1 4 . 1 1 56 56 CYS C C 56 169.550 169.550 173.565 -4.015 25924 1478 1 4 . 1 1 56 56 CYS CA C 56 53.638 53.638 56.221 -2.583 25924 1479 1 4 . 1 1 56 56 CYS CB C 56 40.291 40.291 31.620 8.671 25924 1480 1 4 . 1 1 56 56 CYS H H 56 9.739 9.739 8.422 1.317 25924 1481 1 4 . 1 1 57 57 GLY N N 57 113.662 113.662 108.613 5.049 25924 1482 1 4 . 1 1 57 57 GLY C C 57 168.036 168.036 171.395 -3.359 25924 1483 1 4 . 1 1 57 57 GLY CA C 57 41.978 41.978 45.144 -3.166 25924 1484 1 4 . 1 1 57 57 GLY H H 57 9.408 9.408 8.897 0.511 25924 1485 1 4 . 1 1 58 58 LYS N N 58 117.565 117.565 118.604 -1.039 25924 1486 1 4 . 1 1 58 58 LYS HA H 58 5.981 5.981 5.538 0.443 25924 1487 1 4 . 1 1 58 58 LYS C C 58 174.185 174.185 174.859 -0.674 25924 1488 1 4 . 1 1 58 58 LYS CA C 58 51.418 51.418 54.374 -2.956 25924 1489 1 4 . 1 1 58 58 LYS CB C 58 34.533 34.533 36.292 -1.759 25924 1490 1 4 . 1 1 58 58 LYS H H 58 8.427 8.427 8.310 0.117 25924 1491 1 4 . 1 1 59 59 GLY N N 59 106.060 106.060 107.253 -1.193 25924 1492 1 4 . 1 1 59 59 GLY C C 59 168.361 168.361 172.178 -3.817 25924 1493 1 4 . 1 1 59 59 GLY CA C 59 43.281 43.281 45.515 -2.234 25924 1494 1 4 . 1 1 59 59 GLY H H 59 8.534 8.534 8.246 0.288 25924 1495 1 4 . 1 1 60 60 PRO HA H 60 5.242 5.242 4.918 0.324 25924 1496 1 4 . 1 1 60 60 PRO C C 60 172.019 172.019 176.175 -4.156 25924 1497 1 4 . 1 1 60 60 PRO CA C 60 61.161 61.161 63.367 -2.206 25924 1498 1 4 . 1 1 60 60 PRO CB C 60 29.185 29.185 32.303 -3.118 25924 1499 1 4 . 1 1 61 61 SER N N 61 110.749 110.749 111.337 -0.588 25924 1500 1 4 . 1 1 61 61 SER C C 61 170.857 170.857 174.633 -3.776 25924 1501 1 4 . 1 1 61 61 SER CA C 61 53.387 53.387 56.725 -3.338 25924 1502 1 4 . 1 1 61 61 SER CB C 61 63.795 63.795 65.799 -2.004 25924 1503 1 4 . 1 1 61 61 SER H H 61 7.289 7.289 7.408 -0.119 25924 1504 1 4 . 1 1 62 62 LYS HA H 62 3.155 3.155 3.943 -0.788 25924 1505 1 4 . 1 1 62 62 LYS C C 62 175.308 175.308 178.376 -3.068 25924 1506 1 4 . 1 1 62 62 LYS CA C 62 57.915 57.915 59.844 -1.929 25924 1507 1 4 . 1 1 62 62 LYS CB C 62 28.989 28.989 32.371 -3.382 25924 1508 1 4 . 1 1 63 63 LYS N N 63 118.188 118.188 119.099 -0.911 25924 1509 1 4 . 1 1 63 63 LYS HA H 63 3.709 3.709 3.919 -0.210 25924 1510 1 4 . 1 1 63 63 LYS C C 63 175.856 175.856 178.880 -3.024 25924 1511 1 4 . 1 1 63 63 LYS CA C 63 57.097 57.097 59.754 -2.657 25924 1512 1 4 . 1 1 63 63 LYS CB C 63 29.746 29.746 32.129 -2.383 25924 1513 1 4 . 1 1 63 63 LYS H H 63 8.246 8.246 7.615 0.631 25924 1514 1 4 . 1 1 64 64 GLN N N 64 116.733 116.733 118.977 -2.244 25924 1515 1 4 . 1 1 64 64 GLN HA H 64 3.927 3.927 4.095 -0.168 25924 1516 1 4 . 1 1 64 64 GLN C C 64 176.277 176.277 177.978 -1.701 25924 1517 1 4 . 1 1 64 64 GLN CA C 64 56.240 56.240 58.663 -2.423 25924 1518 1 4 . 1 1 64 64 GLN CB C 64 26.506 26.506 28.480 -1.974 25924 1519 1 4 . 1 1 64 64 GLN H H 64 7.701 7.701 7.710 -0.009 25924 1520 1 4 . 1 1 65 65 ALA N N 65 123.381 123.381 122.432 0.949 25924 1521 1 4 . 1 1 65 65 ALA HA H 65 3.726 3.726 4.018 -0.292 25924 1522 1 4 . 1 1 65 65 ALA C C 65 175.750 175.750 179.583 -3.833 25924 1523 1 4 . 1 1 65 65 ALA CA C 65 53.009 53.009 55.331 -2.322 25924 1524 1 4 . 1 1 65 65 ALA CB C 65 16.089 16.089 18.311 -2.222 25924 1525 1 4 . 1 1 65 65 ALA H H 65 7.933 7.933 7.716 0.217 25924 1526 1 4 . 1 1 66 66 LYS N N 66 118.715 118.715 118.972 -0.257 25924 1527 1 4 . 1 1 66 66 LYS HA H 66 3.626 3.626 3.942 -0.316 25924 1528 1 4 . 1 1 66 66 LYS C C 66 175.275 175.275 178.794 -3.519 25924 1529 1 4 . 1 1 66 66 LYS CA C 66 57.658 57.658 59.392 -1.734 25924 1530 1 4 . 1 1 66 66 LYS CB C 66 30.268 30.268 32.288 -2.021 25924 1531 1 4 . 1 1 66 66 LYS H H 66 8.353 8.353 8.205 0.148 25924 1532 1 4 . 1 1 67 67 MET N N 67 117.211 117.211 119.543 -2.332 25924 1533 1 4 . 1 1 67 67 MET HA H 67 3.821 3.821 4.132 -0.311 25924 1534 1 4 . 1 1 67 67 MET C C 67 175.660 175.660 178.316 -2.656 25924 1535 1 4 . 1 1 67 67 MET CA C 67 56.845 56.845 58.006 -1.161 25924 1536 1 4 . 1 1 67 67 MET CB C 67 29.950 29.950 32.129 -2.179 25924 1537 1 4 . 1 1 67 67 MET H H 67 8.011 8.011 7.814 0.197 25924 1538 1 4 . 1 1 68 68 GLY N N 68 105.985 105.985 106.206 -0.221 25924 1539 1 4 . 1 1 68 68 GLY C C 68 173.545 173.545 175.612 -2.067 25924 1540 1 4 . 1 1 68 68 GLY CA C 68 44.643 44.643 46.686 -2.043 25924 1541 1 4 . 1 1 68 68 GLY H H 68 8.094 8.094 8.063 0.031 25924 1542 1 4 . 1 1 69 69 ALA N N 69 127.579 127.579 125.151 2.428 25924 1543 1 4 . 1 1 69 69 ALA HA H 69 3.841 3.841 4.128 -0.287 25924 1544 1 4 . 1 1 69 69 ALA C C 69 175.840 175.840 179.260 -3.420 25924 1545 1 4 . 1 1 69 69 ALA CA C 69 52.512 52.512 55.009 -2.497 25924 1546 1 4 . 1 1 69 69 ALA CB C 69 15.069 15.069 18.393 -3.324 25924 1547 1 4 . 1 1 69 69 ALA H H 69 8.437 8.437 8.392 0.045 25924 1548 1 4 . 1 1 70 70 ALA N N 70 119.968 119.968 121.084 -1.116 25924 1549 1 4 . 1 1 70 70 ALA HA H 70 4.003 4.003 3.928 0.075 25924 1550 1 4 . 1 1 70 70 ALA C C 70 176.847 176.847 179.133 -2.286 25924 1551 1 4 . 1 1 70 70 ALA CA C 70 52.759 52.759 54.947 -2.188 25924 1552 1 4 . 1 1 70 70 ALA CB C 70 15.297 15.297 18.378 -3.081 25924 1553 1 4 . 1 1 70 70 ALA H H 70 8.219 8.219 8.152 0.067 25924 1554 1 4 . 1 1 71 71 MET N N 71 115.754 115.754 118.153 -2.399 25924 1555 1 4 . 1 1 71 71 MET HA H 71 4.010 4.010 4.027 -0.017 25924 1556 1 4 . 1 1 71 71 MET C C 71 175.596 175.596 177.535 -1.939 25924 1557 1 4 . 1 1 71 71 MET CA C 71 56.613 56.613 58.827 -2.214 25924 1558 1 4 . 1 1 71 71 MET CB C 71 30.407 30.407 32.550 -2.143 25924 1559 1 4 . 1 1 71 71 MET H H 71 8.294 8.294 8.089 0.205 25924 1560 1 4 . 1 1 72 72 ASP N N 72 120.287 120.287 120.457 -0.170 25924 1561 1 4 . 1 1 72 72 ASP HA H 72 4.389 4.389 4.301 0.088 25924 1562 1 4 . 1 1 72 72 ASP C C 72 175.052 175.052 178.146 -3.094 25924 1563 1 4 . 1 1 72 72 ASP CA C 72 54.995 54.995 57.661 -2.666 25924 1564 1 4 . 1 1 72 72 ASP CB C 72 40.461 40.461 40.969 -0.508 25924 1565 1 4 . 1 1 72 72 ASP H H 72 8.045 8.045 8.394 -0.349 25924 1566 1 4 . 1 1 73 73 ALA N N 73 119.640 119.640 122.827 -3.187 25924 1567 1 4 . 1 1 73 73 ALA HA H 73 4.188 4.188 4.230 -0.042 25924 1568 1 4 . 1 1 73 73 ALA C C 73 177.251 177.251 179.747 -2.496 25924 1569 1 4 . 1 1 73 73 ALA CA C 73 52.041 52.041 54.787 -2.746 25924 1570 1 4 . 1 1 73 73 ALA CB C 73 16.473 16.473 18.519 -2.046 25924 1571 1 4 . 1 1 73 73 ALA H H 73 8.028 8.028 7.586 0.442 25924 1572 1 4 . 1 1 74 74 LEU N N 74 117.010 117.010 119.649 -2.639 25924 1573 1 4 . 1 1 74 74 LEU HA H 74 3.992 3.992 3.766 0.226 25924 1574 1 4 . 1 1 74 74 LEU C C 74 176.643 176.643 178.434 -1.791 25924 1575 1 4 . 1 1 74 74 LEU CA C 74 55.519 55.519 57.974 -2.455 25924 1576 1 4 . 1 1 74 74 LEU CB C 74 39.698 39.698 41.558 -1.860 25924 1577 1 4 . 1 1 74 74 LEU H H 74 8.397 8.397 7.931 0.466 25924 1578 1 4 . 1 1 75 75 GLU N N 75 117.709 117.709 117.680 0.029 25924 1579 1 4 . 1 1 75 75 GLU HA H 75 4.109 4.109 4.119 -0.010 25924 1580 1 4 . 1 1 75 75 GLU C C 75 175.976 175.976 178.330 -2.354 25924 1581 1 4 . 1 1 75 75 GLU CA C 75 55.916 55.916 58.666 -2.750 25924 1582 1 4 . 1 1 75 75 GLU CB C 75 27.425 27.425 29.875 -2.450 25924 1583 1 4 . 1 1 75 75 GLU H H 75 7.812 7.812 8.122 -0.310 25924 1584 1 4 . 1 1 76 76 LYS N N 76 117.440 117.440 117.886 -0.446 25924 1585 1 4 . 1 1 76 76 LYS HA H 76 4.140 4.140 4.181 -0.041 25924 1586 1 4 . 1 1 76 76 LYS C C 76 174.882 174.882 176.333 -1.451 25924 1587 1 4 . 1 1 76 76 LYS CA C 76 55.187 55.187 56.560 -1.373 25924 1588 1 4 . 1 1 76 76 LYS CB C 76 31.270 31.270 33.231 -1.961 25924 1589 1 4 . 1 1 76 76 LYS H H 76 7.892 7.892 7.532 0.360 25924 1590 1 4 . 1 1 77 77 TYR N N 77 120.225 120.225 117.157 3.068 25924 1591 1 4 . 1 1 77 77 TYR HA H 77 4.044 4.044 4.094 -0.050 25924 1592 1 4 . 1 1 77 77 TYR C C 77 172.041 172.041 174.051 -2.010 25924 1593 1 4 . 1 1 77 77 TYR CA C 77 56.878 56.878 58.509 -1.631 25924 1594 1 4 . 1 1 77 77 TYR CB C 77 35.852 35.852 38.566 -2.714 25924 1595 1 4 . 1 1 77 77 TYR H H 77 8.149 8.149 8.094 0.055 25924 1596 1 4 . 1 1 78 78 ASN N N 78 121.088 121.088 121.367 -0.279 25924 1597 1 4 . 1 1 78 78 ASN HA H 78 4.537 4.537 4.839 -0.302 25924 1598 1 4 . 1 1 78 78 ASN C C 78 171.116 171.116 174.145 -3.029 25924 1599 1 4 . 1 1 78 78 ASN CA C 78 49.866 49.866 53.411 -3.545 25924 1600 1 4 . 1 1 78 78 ASN CB C 78 35.302 35.302 38.933 -3.631 25924 1601 1 4 . 1 1 78 78 ASN H H 78 7.436 7.436 8.302 -0.866 25924 1602 1 4 . 1 1 79 79 PHE N N 79 122.211 122.211 121.606 0.605 25924 1603 1 4 . 1 1 79 79 PHE C C 79 171.220 171.220 174.214 -2.994 25924 1604 1 4 . 1 1 79 79 PHE CA C 79 54.195 54.195 56.662 -2.467 25924 1605 1 4 . 1 1 79 79 PHE CB C 79 35.969 35.969 39.539 -3.570 25924 1606 1 4 . 1 1 79 79 PHE H H 79 7.901 7.901 8.451 -0.550 25924 1607 1 4 . 1 1 80 80 PRO HA H 80 4.367 4.367 4.339 0.028 25924 1608 1 4 . 1 1 80 80 PRO C C 80 173.721 173.721 176.728 -3.007 25924 1609 1 4 . 1 1 80 80 PRO CA C 80 60.634 60.634 64.663 -4.029 25924 1610 1 4 . 1 1 80 80 PRO CB C 80 29.356 29.356 31.967 -2.611 25924 1611 1 4 . 1 1 81 81 GLN N N 81 120.432 120.432 116.319 4.113 25924 1612 1 4 . 1 1 81 81 GLN HA H 81 4.232 4.232 4.195 0.037 25924 1613 1 4 . 1 1 81 81 GLN C C 81 172.475 172.475 175.475 -3.000 25924 1614 1 4 . 1 1 81 81 GLN CA C 81 53.216 53.216 57.309 -4.093 25924 1615 1 4 . 1 1 81 81 GLN CB C 81 26.823 26.823 26.615 0.208 25924 1616 1 4 . 1 1 81 81 GLN H H 81 8.347 8.347 8.684 -0.337 25924 1617 1 5 . 1 1 6 6 PRO HA H 6 4.233 4.233 4.495 -0.262 25924 1618 1 5 . 1 1 6 6 PRO C C 6 174.849 174.849 177.841 -2.992 25924 1619 1 5 . 1 1 6 6 PRO CA C 6 62.494 62.494 62.236 0.258 25924 1620 1 5 . 1 1 6 6 PRO CB C 6 30.061 30.061 32.638 -2.577 25924 1621 1 5 . 1 1 7 7 ILE N N 7 118.341 118.341 120.438 -2.097 25924 1622 1 5 . 1 1 7 7 ILE HA H 7 3.556 3.556 3.782 -0.226 25924 1623 1 5 . 1 1 7 7 ILE C C 7 177.294 177.294 177.348 -0.054 25924 1624 1 5 . 1 1 7 7 ILE CA C 7 62.546 62.546 62.589 -0.043 25924 1625 1 5 . 1 1 7 7 ILE CB C 7 34.984 34.984 37.314 -2.330 25924 1626 1 5 . 1 1 7 7 ILE H H 7 7.420 7.420 8.747 -1.327 25924 1627 1 5 . 1 1 8 8 SER N N 8 118.043 118.043 115.179 2.864 25924 1628 1 5 . 1 1 8 8 SER HA H 8 4.140 4.140 4.001 0.139 25924 1629 1 5 . 1 1 8 8 SER C C 8 174.216 174.216 176.202 -1.986 25924 1630 1 5 . 1 1 8 8 SER CA C 8 58.686 58.686 61.161 -2.475 25924 1631 1 5 . 1 1 8 8 SER CB C 8 59.913 59.913 62.338 -2.425 25924 1632 1 5 . 1 1 8 8 SER H H 8 7.867 7.867 8.343 -0.476 25924 1633 1 5 . 1 1 9 9 GLN N N 9 121.528 121.528 121.839 -0.311 25924 1634 1 5 . 1 1 9 9 GLN HA H 9 3.894 3.894 4.004 -0.110 25924 1635 1 5 . 1 1 9 9 GLN C C 9 175.750 175.750 177.943 -2.193 25924 1636 1 5 . 1 1 9 9 GLN CA C 9 56.418 56.418 58.801 -2.383 25924 1637 1 5 . 1 1 9 9 GLN CB C 9 26.763 26.763 28.731 -1.968 25924 1638 1 5 . 1 1 9 9 GLN H H 9 8.384 8.384 7.656 0.728 25924 1639 1 5 . 1 1 10 10 LEU N N 10 120.026 120.026 119.799 0.227 25924 1640 1 5 . 1 1 10 10 LEU HA H 10 3.903 3.903 4.070 -0.167 25924 1641 1 5 . 1 1 10 10 LEU C C 10 174.336 174.336 178.928 -4.592 25924 1642 1 5 . 1 1 10 10 LEU CA C 10 55.816 55.816 57.499 -1.683 25924 1643 1 5 . 1 1 10 10 LEU CB C 10 38.168 38.168 41.562 -3.394 25924 1644 1 5 . 1 1 10 10 LEU H H 10 8.357 8.357 7.619 0.738 25924 1645 1 5 . 1 1 11 11 GLN N N 11 116.550 116.550 116.588 -0.038 25924 1646 1 5 . 1 1 11 11 GLN HA H 11 3.591 3.591 3.816 -0.225 25924 1647 1 5 . 1 1 11 11 GLN C C 11 175.196 175.196 178.443 -3.247 25924 1648 1 5 . 1 1 11 11 GLN CA C 11 57.729 57.729 58.374 -0.645 25924 1649 1 5 . 1 1 11 11 GLN CB C 11 20.954 20.954 27.603 -6.649 25924 1650 1 5 . 1 1 11 11 GLN H H 11 7.445 7.445 8.174 -0.729 25924 1651 1 5 . 1 1 12 12 GLN N N 12 116.948 116.948 119.825 -2.877 25924 1652 1 5 . 1 1 12 12 GLN HA H 12 3.940 3.940 4.044 -0.104 25924 1653 1 5 . 1 1 12 12 GLN C C 12 176.463 176.463 178.314 -1.851 25924 1654 1 5 . 1 1 12 12 GLN CA C 12 56.111 56.111 59.027 -2.916 25924 1655 1 5 . 1 1 12 12 GLN CB C 12 25.406 25.406 28.189 -2.783 25924 1656 1 5 . 1 1 12 12 GLN H H 12 8.159 8.159 7.842 0.317 25924 1657 1 5 . 1 1 13 13 CYS N N 13 119.104 119.104 118.154 0.950 25924 1658 1 5 . 1 1 13 13 CYS HA H 13 4.246 4.246 4.223 0.023 25924 1659 1 5 . 1 1 13 13 CYS C C 13 174.884 174.884 177.451 -2.567 25924 1660 1 5 . 1 1 13 13 CYS CA C 13 55.688 55.688 63.289 -7.601 25924 1661 1 5 . 1 1 13 13 CYS CB C 13 36.819 36.819 26.858 9.961 25924 1662 1 5 . 1 1 13 13 CYS H H 13 8.255 8.255 7.893 0.362 25924 1663 1 5 . 1 1 14 14 CYS N N 14 119.738 119.738 119.718 0.020 25924 1664 1 5 . 1 1 14 14 CYS HA H 14 3.872 3.872 3.957 -0.085 25924 1665 1 5 . 1 1 14 14 CYS C C 14 174.825 174.825 176.603 -1.778 25924 1666 1 5 . 1 1 14 14 CYS CA C 14 59.649 59.649 63.057 -3.408 25924 1667 1 5 . 1 1 14 14 CYS CB C 14 30.799 30.799 27.588 3.211 25924 1668 1 5 . 1 1 14 14 CYS H H 14 8.472 8.472 7.398 1.074 25924 1669 1 5 . 1 1 15 15 LEU N N 15 120.206 120.206 119.271 0.935 25924 1670 1 5 . 1 1 15 15 LEU HA H 15 4.164 4.164 3.764 0.400 25924 1671 1 5 . 1 1 15 15 LEU C C 15 176.334 176.334 178.238 -1.904 25924 1672 1 5 . 1 1 15 15 LEU CA C 15 55.008 55.008 57.718 -2.710 25924 1673 1 5 . 1 1 15 15 LEU CB C 15 39.276 39.276 42.106 -2.830 25924 1674 1 5 . 1 1 15 15 LEU H H 15 7.875 7.875 8.291 -0.416 25924 1675 1 5 . 1 1 16 16 THR N N 16 111.015 111.015 107.869 3.146 25924 1676 1 5 . 1 1 16 16 THR HA H 16 4.188 4.188 4.103 0.085 25924 1677 1 5 . 1 1 16 16 THR C C 16 172.543 172.543 175.510 -2.967 25924 1678 1 5 . 1 1 16 16 THR CA C 16 61.556 61.556 62.977 -1.421 25924 1679 1 5 . 1 1 16 16 THR CB C 16 67.074 67.074 69.993 -2.919 25924 1680 1 5 . 1 1 16 16 THR H H 16 7.636 7.636 7.415 0.221 25924 1681 1 5 . 1 1 17 17 LEU N N 17 121.097 121.097 122.688 -1.591 25924 1682 1 5 . 1 1 17 17 LEU HA H 17 4.366 4.366 3.958 0.408 25924 1683 1 5 . 1 1 17 17 LEU C C 17 174.215 174.215 175.693 -1.478 25924 1684 1 5 . 1 1 17 17 LEU CA C 17 52.269 52.269 55.222 -2.953 25924 1685 1 5 . 1 1 17 17 LEU CB C 17 39.018 39.018 41.298 -2.280 25924 1686 1 5 . 1 1 17 17 LEU H H 17 7.364 7.364 7.675 -0.311 25924 1687 1 5 . 1 1 18 18 ARG N N 18 120.709 120.709 122.965 -2.256 25924 1688 1 5 . 1 1 18 18 ARG HA H 18 4.371 4.371 4.313 0.058 25924 1689 1 5 . 1 1 18 18 ARG C C 18 173.362 173.362 175.727 -2.365 25924 1690 1 5 . 1 1 18 18 ARG CA C 18 53.709 53.709 57.011 -3.303 25924 1691 1 5 . 1 1 18 18 ARG CB C 18 28.038 28.038 30.634 -2.595 25924 1692 1 5 . 1 1 18 18 ARG H H 18 7.555 7.555 8.264 -0.709 25924 1693 1 5 . 1 1 19 19 THR N N 19 118.668 118.668 120.436 -1.768 25924 1694 1 5 . 1 1 19 19 THR HA H 19 4.387 4.387 4.545 -0.158 25924 1695 1 5 . 1 1 19 19 THR C C 19 171.580 171.580 173.467 -1.887 25924 1696 1 5 . 1 1 19 19 THR CA C 19 58.936 58.936 61.753 -2.817 25924 1697 1 5 . 1 1 19 19 THR CB C 19 67.672 67.672 71.176 -3.504 25924 1698 1 5 . 1 1 19 19 THR H H 19 8.540 8.540 8.452 0.088 25924 1699 1 5 . 1 1 20 20 GLU N N 20 124.039 124.039 126.345 -2.306 25924 1700 1 5 . 1 1 20 20 GLU HA H 20 4.075 4.075 4.093 -0.018 25924 1701 1 5 . 1 1 20 20 GLU C C 20 174.446 174.446 177.598 -3.152 25924 1702 1 5 . 1 1 20 20 GLU CA C 20 54.949 54.949 57.610 -2.661 25924 1703 1 5 . 1 1 20 20 GLU CB C 20 26.872 26.872 29.887 -3.015 25924 1704 1 5 . 1 1 20 20 GLU H H 20 8.586 8.586 8.869 -0.283 25924 1705 1 5 . 1 1 21 21 GLY N N 21 111.169 111.169 112.246 -1.077 25924 1706 1 5 . 1 1 21 21 GLY C C 21 171.105 171.105 173.720 -2.615 25924 1707 1 5 . 1 1 21 21 GLY CA C 21 42.662 42.662 45.011 -2.349 25924 1708 1 5 . 1 1 21 21 GLY H H 21 8.552 8.552 8.751 -0.199 25924 1709 1 5 . 1 1 22 22 LYS N N 22 119.376 119.376 121.382 -2.006 25924 1710 1 5 . 1 1 22 22 LYS HA H 22 4.453 4.453 4.554 -0.101 25924 1711 1 5 . 1 1 22 22 LYS C C 22 173.525 173.525 174.749 -1.224 25924 1712 1 5 . 1 1 22 22 LYS CA C 22 52.416 52.416 55.482 -3.066 25924 1713 1 5 . 1 1 22 22 LYS CB C 22 31.336 31.336 34.708 -3.372 25924 1714 1 5 . 1 1 22 22 LYS H H 22 7.798 7.798 7.633 0.165 25924 1715 1 5 . 1 1 23 23 GLU N N 23 122.631 122.631 126.493 -3.862 25924 1716 1 5 . 1 1 23 23 GLU C C 23 172.069 172.069 175.322 -3.253 25924 1717 1 5 . 1 1 23 23 GLU CA C 23 51.739 51.739 54.188 -2.449 25924 1718 1 5 . 1 1 23 23 GLU CB C 23 26.486 26.486 30.110 -3.624 25924 1719 1 5 . 1 1 24 24 PRO HA H 24 4.402 4.402 4.545 -0.143 25924 1720 1 5 . 1 1 24 24 PRO C C 24 173.547 173.547 176.099 -2.552 25924 1721 1 5 . 1 1 24 24 PRO CA C 24 60.521 60.521 62.718 -2.197 25924 1722 1 5 . 1 1 24 24 PRO CB C 24 29.522 29.522 32.502 -2.980 25924 1723 1 5 . 1 1 25 25 ASP N N 25 121.674 121.674 121.865 -0.191 25924 1724 1 5 . 1 1 25 25 ASP HA H 25 4.657 4.657 4.685 -0.028 25924 1725 1 5 . 1 1 25 25 ASP C C 25 171.891 171.891 175.782 -3.891 25924 1726 1 5 . 1 1 25 25 ASP CA C 25 53.718 53.718 53.874 -0.156 25924 1727 1 5 . 1 1 25 25 ASP CB C 25 40.677 40.677 41.878 -1.201 25924 1728 1 5 . 1 1 25 25 ASP H H 25 8.232 8.232 8.361 -0.129 25924 1729 1 5 . 1 1 26 26 ILE N N 26 116.402 116.402 121.536 -5.134 25924 1730 1 5 . 1 1 26 26 ILE C C 26 171.291 171.291 174.319 -3.028 25924 1731 1 5 . 1 1 26 26 ILE CA C 26 55.315 55.315 57.145 -1.830 25924 1732 1 5 . 1 1 26 26 ILE CB C 26 37.365 37.365 37.546 -0.181 25924 1733 1 5 . 1 1 26 26 ILE H H 26 8.108 8.108 8.231 -0.123 25924 1734 1 5 . 1 1 27 27 PRO HA H 27 4.723 4.723 4.198 0.525 25924 1735 1 5 . 1 1 27 27 PRO C C 27 172.234 172.234 175.617 -3.383 25924 1736 1 5 . 1 1 27 27 PRO CA C 27 60.676 60.676 62.030 -1.354 25924 1737 1 5 . 1 1 27 27 PRO CB C 27 29.510 29.510 32.159 -2.649 25924 1738 1 5 . 1 1 28 28 LEU N N 28 124.504 124.504 123.988 0.516 25924 1739 1 5 . 1 1 28 28 LEU HA H 28 4.712 4.712 4.653 0.059 25924 1740 1 5 . 1 1 28 28 LEU C C 28 172.463 172.463 175.133 -2.670 25924 1741 1 5 . 1 1 28 28 LEU CA C 28 50.999 50.999 54.383 -3.384 25924 1742 1 5 . 1 1 28 28 LEU CB C 28 42.433 42.433 46.050 -3.617 25924 1743 1 5 . 1 1 28 28 LEU H H 28 8.477 8.477 7.773 0.704 25924 1744 1 5 . 1 1 29 29 TYR N N 29 123.137 123.137 121.148 1.989 25924 1745 1 5 . 1 1 29 29 TYR HA H 29 5.285 5.285 4.748 0.537 25924 1746 1 5 . 1 1 29 29 TYR C C 29 173.614 173.614 174.975 -1.361 25924 1747 1 5 . 1 1 29 29 TYR CA C 29 54.959 54.959 56.080 -1.121 25924 1748 1 5 . 1 1 29 29 TYR CB C 29 37.328 37.328 39.060 -1.732 25924 1749 1 5 . 1 1 29 29 TYR H H 29 8.907 8.907 8.223 0.684 25924 1750 1 5 . 1 1 30 30 LYS N N 30 122.426 122.426 125.445 -3.019 25924 1751 1 5 . 1 1 30 30 LYS C C 30 172.500 172.500 175.502 -3.002 25924 1752 1 5 . 1 1 30 30 LYS CA C 30 52.399 52.399 55.106 -2.707 25924 1753 1 5 . 1 1 30 30 LYS CB C 30 34.086 34.086 35.178 -1.092 25924 1754 1 5 . 1 1 30 30 LYS H H 30 9.344 9.344 8.979 0.365 25924 1755 1 5 . 1 1 31 31 THR HA H 31 4.510 4.510 4.943 -0.433 25924 1756 1 5 . 1 1 31 31 THR CA C 31 60.787 60.787 62.954 -2.167 25924 1757 1 5 . 1 1 32 32 LEU N N 32 129.198 129.198 122.787 6.411 25924 1758 1 5 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.713 -0.273 25924 1759 1 5 . 1 1 32 32 LEU C C 32 174.368 174.368 176.638 -2.270 25924 1760 1 5 . 1 1 32 32 LEU CA C 32 52.683 52.683 56.049 -3.366 25924 1761 1 5 . 1 1 32 32 LEU CB C 32 40.207 40.207 43.359 -3.152 25924 1762 1 5 . 1 1 32 32 LEU H H 32 9.019 9.019 8.508 0.511 25924 1763 1 5 . 1 1 33 33 GLN N N 33 115.992 115.992 113.714 2.278 25924 1764 1 5 . 1 1 33 33 GLN C C 33 171.615 171.615 173.797 -2.182 25924 1765 1 5 . 1 1 33 33 GLN CA C 33 53.264 53.264 54.635 -1.371 25924 1766 1 5 . 1 1 33 33 GLN CB C 33 28.844 28.844 30.995 -2.151 25924 1767 1 5 . 1 1 33 33 GLN H H 33 7.689 7.689 8.176 -0.487 25924 1768 1 5 . 1 1 34 34 THR N N 34 119.608 119.608 113.546 6.062 25924 1769 1 5 . 1 1 34 34 THR HA H 34 4.489 4.489 4.948 -0.459 25924 1770 1 5 . 1 1 34 34 THR C C 34 170.622 170.622 173.758 -3.136 25924 1771 1 5 . 1 1 34 34 THR CA C 34 59.144 59.144 60.857 -1.713 25924 1772 1 5 . 1 1 34 34 THR CB C 34 67.805 67.805 69.983 -2.178 25924 1773 1 5 . 1 1 34 34 THR H H 34 8.345 8.345 8.421 -0.076 25924 1774 1 5 . 1 1 35 35 VAL N N 35 120.795 120.795 123.414 -2.619 25924 1775 1 5 . 1 1 35 35 VAL HA H 35 4.492 4.492 4.420 0.072 25924 1776 1 5 . 1 1 35 35 VAL C C 35 172.242 172.242 174.415 -2.173 25924 1777 1 5 . 1 1 35 35 VAL CA C 35 57.697 57.697 60.827 -3.130 25924 1778 1 5 . 1 1 35 35 VAL CB C 35 32.804 32.804 34.892 -2.088 25924 1779 1 5 . 1 1 35 35 VAL H H 35 8.134 8.134 8.436 -0.302 25924 1780 1 5 . 1 1 36 36 GLY N N 36 110.608 110.608 112.110 -1.502 25924 1781 1 5 . 1 1 36 36 GLY C C 36 169.453 169.453 173.567 -4.114 25924 1782 1 5 . 1 1 36 36 GLY CA C 36 41.094 41.094 45.089 -3.995 25924 1783 1 5 . 1 1 36 36 GLY H H 36 8.229 8.229 8.624 -0.395 25924 1784 1 5 . 1 1 39 39 HIS HA H 39 4.631 4.631 4.197 0.434 25924 1785 1 5 . 1 1 39 39 HIS C C 39 172.140 172.140 174.509 -2.369 25924 1786 1 5 . 1 1 39 39 HIS CA C 39 53.584 53.584 57.714 -4.130 25924 1787 1 5 . 1 1 39 39 HIS CB C 39 27.736 27.736 29.410 -1.673 25924 1788 1 5 . 1 1 40 40 ALA N N 40 128.155 128.155 126.986 1.169 25924 1789 1 5 . 1 1 40 40 ALA HA H 40 4.422 4.422 4.382 0.040 25924 1790 1 5 . 1 1 40 40 ALA C C 40 171.693 171.693 177.440 -5.747 25924 1791 1 5 . 1 1 40 40 ALA CA C 40 48.979 48.979 52.012 -3.033 25924 1792 1 5 . 1 1 40 40 ALA CB C 40 15.335 15.335 19.788 -4.453 25924 1793 1 5 . 1 1 40 40 ALA H H 40 7.582 7.582 8.311 -0.729 25924 1794 1 5 . 1 1 41 41 ARG N N 41 122.997 122.997 121.701 1.296 25924 1795 1 5 . 1 1 41 41 ARG HA H 41 4.467 4.467 4.801 -0.334 25924 1796 1 5 . 1 1 41 41 ARG C C 41 174.236 174.236 176.496 -2.260 25924 1797 1 5 . 1 1 41 41 ARG CA C 41 52.715 52.715 55.707 -2.992 25924 1798 1 5 . 1 1 41 41 ARG CB C 41 29.506 29.506 31.513 -2.007 25924 1799 1 5 . 1 1 41 41 ARG H H 41 8.090 8.090 8.324 -0.234 25924 1800 1 5 . 1 1 42 42 THR N N 42 116.202 116.202 111.582 4.620 25924 1801 1 5 . 1 1 42 42 THR HA H 42 4.448 4.448 5.155 -0.707 25924 1802 1 5 . 1 1 42 42 THR C C 42 171.192 171.192 173.389 -2.197 25924 1803 1 5 . 1 1 42 42 THR CA C 42 59.750 59.750 59.947 -0.197 25924 1804 1 5 . 1 1 42 42 THR CB C 42 67.917 67.917 71.721 -3.804 25924 1805 1 5 . 1 1 42 42 THR H H 42 8.572 8.572 8.250 0.322 25924 1806 1 5 . 1 1 43 43 TYR N N 43 127.687 127.687 121.641 6.046 25924 1807 1 5 . 1 1 43 43 TYR HA H 43 4.719 4.719 4.777 -0.058 25924 1808 1 5 . 1 1 43 43 TYR C C 43 172.160 172.160 175.699 -3.539 25924 1809 1 5 . 1 1 43 43 TYR CA C 43 54.921 54.921 57.183 -2.262 25924 1810 1 5 . 1 1 43 43 TYR CB C 43 38.220 38.220 41.022 -2.802 25924 1811 1 5 . 1 1 43 43 TYR H H 43 9.255 9.255 8.898 0.357 25924 1812 1 5 . 1 1 44 44 THR N N 44 117.178 117.178 114.418 2.760 25924 1813 1 5 . 1 1 44 44 THR HA H 44 5.162 5.162 4.628 0.534 25924 1814 1 5 . 1 1 44 44 THR C C 44 171.330 171.330 173.823 -2.493 25924 1815 1 5 . 1 1 44 44 THR CA C 44 59.299 59.299 61.299 -2.000 25924 1816 1 5 . 1 1 44 44 THR CB C 44 67.619 67.619 69.841 -2.221 25924 1817 1 5 . 1 1 44 44 THR H H 44 8.699 8.699 8.525 0.174 25924 1818 1 5 . 1 1 45 45 VAL N N 45 128.199 128.199 125.604 2.595 25924 1819 1 5 . 1 1 45 45 VAL HA H 45 4.177 4.177 4.463 -0.286 25924 1820 1 5 . 1 1 45 45 VAL C C 45 169.635 169.635 173.762 -4.127 25924 1821 1 5 . 1 1 45 45 VAL CA C 45 57.558 57.558 61.555 -3.997 25924 1822 1 5 . 1 1 45 45 VAL CB C 45 32.829 32.829 35.521 -2.692 25924 1823 1 5 . 1 1 45 45 VAL H H 45 9.331 9.331 8.302 1.029 25924 1824 1 5 . 1 1 46 46 ALA N N 46 126.929 126.929 129.495 -2.566 25924 1825 1 5 . 1 1 46 46 ALA HA H 46 5.260 5.260 5.092 0.168 25924 1826 1 5 . 1 1 46 46 ALA C C 46 171.973 171.973 175.869 -3.896 25924 1827 1 5 . 1 1 46 46 ALA CA C 46 46.865 46.865 50.984 -4.119 25924 1828 1 5 . 1 1 46 46 ALA CB C 46 21.198 21.198 21.632 -0.434 25924 1829 1 5 . 1 1 46 46 ALA H H 46 8.961 8.961 8.238 0.723 25924 1830 1 5 . 1 1 47 47 VAL N N 47 118.914 118.914 125.413 -6.499 25924 1831 1 5 . 1 1 47 47 VAL HA H 47 4.961 4.961 4.385 0.576 25924 1832 1 5 . 1 1 47 47 VAL C C 47 170.285 170.285 175.231 -4.946 25924 1833 1 5 . 1 1 47 47 VAL CA C 47 55.384 55.384 61.922 -6.538 25924 1834 1 5 . 1 1 47 47 VAL CB C 47 32.098 32.098 33.327 -1.229 25924 1835 1 5 . 1 1 47 47 VAL H H 47 8.248 8.248 8.656 -0.408 25924 1836 1 5 . 1 1 48 48 TYR N N 48 126.815 126.815 124.357 2.458 25924 1837 1 5 . 1 1 48 48 TYR HA H 48 5.217 5.217 5.271 -0.054 25924 1838 1 5 . 1 1 48 48 TYR C C 48 172.504 172.504 173.632 -1.128 25924 1839 1 5 . 1 1 48 48 TYR CA C 48 53.610 53.610 55.023 -1.413 25924 1840 1 5 . 1 1 48 48 TYR CB C 48 40.339 40.339 41.551 -1.212 25924 1841 1 5 . 1 1 48 48 TYR H H 48 9.274 9.274 8.072 1.202 25924 1842 1 5 . 1 1 49 49 PHE N N 49 119.234 119.234 122.484 -3.250 25924 1843 1 5 . 1 1 49 49 PHE HA H 49 4.766 4.766 4.779 -0.013 25924 1844 1 5 . 1 1 49 49 PHE C C 49 172.390 172.390 175.349 -2.959 25924 1845 1 5 . 1 1 49 49 PHE CA C 49 54.128 54.128 57.629 -3.501 25924 1846 1 5 . 1 1 49 49 PHE CB C 49 40.240 40.240 42.764 -2.524 25924 1847 1 5 . 1 1 49 49 PHE H H 49 9.024 9.024 9.297 -0.273 25924 1848 1 5 . 1 1 50 50 LYS N N 50 128.064 128.064 126.767 1.297 25924 1849 1 5 . 1 1 50 50 LYS HA H 50 3.502 3.502 3.738 -0.236 25924 1850 1 5 . 1 1 50 50 LYS C C 50 173.659 173.659 176.078 -2.419 25924 1851 1 5 . 1 1 50 50 LYS CA C 50 54.906 54.906 56.894 -1.988 25924 1852 1 5 . 1 1 50 50 LYS CB C 50 26.726 26.726 31.200 -4.473 25924 1853 1 5 . 1 1 50 50 LYS H H 50 9.035 9.035 8.706 0.329 25924 1854 1 5 . 1 1 51 51 GLY N N 51 104.286 104.286 102.749 1.537 25924 1855 1 5 . 1 1 51 51 GLY C C 51 170.970 170.970 173.236 -2.266 25924 1856 1 5 . 1 1 51 51 GLY CA C 51 42.553 42.553 44.930 -2.377 25924 1857 1 5 . 1 1 51 51 GLY H H 51 8.893 8.893 8.287 0.606 25924 1858 1 5 . 1 1 52 52 GLU N N 52 121.087 121.087 119.436 1.651 25924 1859 1 5 . 1 1 52 52 GLU HA H 52 4.617 4.617 4.625 -0.008 25924 1860 1 5 . 1 1 52 52 GLU C C 52 172.477 172.477 175.598 -3.121 25924 1861 1 5 . 1 1 52 52 GLU CA C 52 51.709 51.709 54.639 -2.930 25924 1862 1 5 . 1 1 52 52 GLU CB C 52 29.248 29.248 33.078 -3.830 25924 1863 1 5 . 1 1 52 52 GLU H H 52 7.710 7.710 7.694 0.016 25924 1864 1 5 . 1 1 53 53 ARG N N 53 126.720 126.720 124.094 2.626 25924 1865 1 5 . 1 1 53 53 ARG C C 53 173.977 173.977 176.320 -2.343 25924 1866 1 5 . 1 1 53 53 ARG CA C 53 54.250 54.250 57.295 -3.046 25924 1867 1 5 . 1 1 53 53 ARG CB C 53 27.373 27.373 30.239 -2.866 25924 1868 1 5 . 1 1 53 53 ARG H H 53 8.919 8.919 8.941 -0.022 25924 1869 1 5 . 1 1 54 54 ILE N N 54 122.215 122.215 124.050 -1.835 25924 1870 1 5 . 1 1 54 54 ILE HA H 54 4.549 4.549 4.307 0.242 25924 1871 1 5 . 1 1 54 54 ILE C C 54 172.161 172.161 174.150 -1.989 25924 1872 1 5 . 1 1 54 54 ILE CA C 54 58.807 58.807 60.664 -1.857 25924 1873 1 5 . 1 1 54 54 ILE CB C 54 37.207 37.207 39.607 -2.400 25924 1874 1 5 . 1 1 54 54 ILE H H 54 8.920 8.920 8.586 0.334 25924 1875 1 5 . 1 1 55 55 GLY N N 55 107.034 107.034 103.851 3.183 25924 1876 1 5 . 1 1 55 55 GLY C C 55 169.649 169.649 171.305 -1.656 25924 1877 1 5 . 1 1 55 55 GLY CA C 55 42.712 42.712 45.319 -2.607 25924 1878 1 5 . 1 1 55 55 GLY H H 55 7.233 7.233 7.535 -0.302 25924 1879 1 5 . 1 1 56 56 CYS N N 56 121.361 121.361 121.090 0.271 25924 1880 1 5 . 1 1 56 56 CYS HA H 56 5.264 5.264 5.365 -0.101 25924 1881 1 5 . 1 1 56 56 CYS C C 56 169.550 169.550 173.050 -3.500 25924 1882 1 5 . 1 1 56 56 CYS CA C 56 53.638 53.638 57.461 -3.823 25924 1883 1 5 . 1 1 56 56 CYS CB C 56 40.291 40.291 29.912 10.379 25924 1884 1 5 . 1 1 56 56 CYS H H 56 9.739 9.739 8.267 1.472 25924 1885 1 5 . 1 1 57 57 GLY N N 57 113.662 113.662 112.369 1.293 25924 1886 1 5 . 1 1 57 57 GLY C C 57 168.036 168.036 171.227 -3.191 25924 1887 1 5 . 1 1 57 57 GLY CA C 57 41.978 41.978 44.804 -2.826 25924 1888 1 5 . 1 1 57 57 GLY H H 57 9.408 9.408 8.826 0.582 25924 1889 1 5 . 1 1 58 58 LYS N N 58 117.565 117.565 118.153 -0.588 25924 1890 1 5 . 1 1 58 58 LYS HA H 58 5.981 5.981 5.410 0.571 25924 1891 1 5 . 1 1 58 58 LYS C C 58 174.185 174.185 174.930 -0.745 25924 1892 1 5 . 1 1 58 58 LYS CA C 58 51.418 51.418 54.292 -2.874 25924 1893 1 5 . 1 1 58 58 LYS CB C 58 34.533 34.533 36.213 -1.680 25924 1894 1 5 . 1 1 58 58 LYS H H 58 8.427 8.427 8.199 0.228 25924 1895 1 5 . 1 1 59 59 GLY N N 59 106.060 106.060 106.913 -0.853 25924 1896 1 5 . 1 1 59 59 GLY C C 59 168.361 168.361 172.137 -3.776 25924 1897 1 5 . 1 1 59 59 GLY CA C 59 43.281 43.281 45.538 -2.257 25924 1898 1 5 . 1 1 59 59 GLY H H 59 8.534 8.534 7.782 0.752 25924 1899 1 5 . 1 1 60 60 PRO HA H 60 5.242 5.242 4.797 0.445 25924 1900 1 5 . 1 1 60 60 PRO C C 60 172.019 172.019 176.825 -4.806 25924 1901 1 5 . 1 1 60 60 PRO CA C 60 61.161 61.161 63.965 -2.804 25924 1902 1 5 . 1 1 60 60 PRO CB C 60 29.185 29.185 32.530 -3.345 25924 1903 1 5 . 1 1 61 61 SER N N 61 110.749 110.749 112.772 -2.023 25924 1904 1 5 . 1 1 61 61 SER C C 61 170.857 170.857 175.312 -4.455 25924 1905 1 5 . 1 1 61 61 SER CA C 61 53.387 53.387 56.485 -3.098 25924 1906 1 5 . 1 1 61 61 SER CB C 61 63.795 63.795 65.704 -1.909 25924 1907 1 5 . 1 1 61 61 SER H H 61 7.289 7.289 7.892 -0.603 25924 1908 1 5 . 1 1 62 62 LYS HA H 62 3.155 3.155 3.944 -0.789 25924 1909 1 5 . 1 1 62 62 LYS C C 62 175.308 175.308 178.268 -2.960 25924 1910 1 5 . 1 1 62 62 LYS CA C 62 57.915 57.915 60.559 -2.644 25924 1911 1 5 . 1 1 62 62 LYS CB C 62 28.989 28.989 32.054 -3.065 25924 1912 1 5 . 1 1 63 63 LYS N N 63 118.188 118.188 118.748 -0.560 25924 1913 1 5 . 1 1 63 63 LYS HA H 63 3.709 3.709 3.960 -0.251 25924 1914 1 5 . 1 1 63 63 LYS C C 63 175.856 175.856 178.813 -2.957 25924 1915 1 5 . 1 1 63 63 LYS CA C 63 57.097 57.097 59.056 -1.959 25924 1916 1 5 . 1 1 63 63 LYS CB C 63 29.746 29.746 31.913 -2.167 25924 1917 1 5 . 1 1 63 63 LYS H H 63 8.246 8.246 8.214 0.032 25924 1918 1 5 . 1 1 64 64 GLN N N 64 116.733 116.733 119.674 -2.941 25924 1919 1 5 . 1 1 64 64 GLN HA H 64 3.927 3.927 4.110 -0.183 25924 1920 1 5 . 1 1 64 64 GLN C C 64 176.277 176.277 177.934 -1.657 25924 1921 1 5 . 1 1 64 64 GLN CA C 64 56.240 56.240 58.169 -1.929 25924 1922 1 5 . 1 1 64 64 GLN CB C 64 26.506 26.506 27.914 -1.408 25924 1923 1 5 . 1 1 64 64 GLN H H 64 7.701 7.701 8.145 -0.444 25924 1924 1 5 . 1 1 65 65 ALA N N 65 123.381 123.381 122.528 0.853 25924 1925 1 5 . 1 1 65 65 ALA HA H 65 3.726 3.726 3.952 -0.226 25924 1926 1 5 . 1 1 65 65 ALA C C 65 175.750 175.750 179.046 -3.296 25924 1927 1 5 . 1 1 65 65 ALA CA C 65 53.009 53.009 55.424 -2.415 25924 1928 1 5 . 1 1 65 65 ALA CB C 65 16.089 16.089 18.416 -2.328 25924 1929 1 5 . 1 1 65 65 ALA H H 65 7.933 7.933 7.836 0.097 25924 1930 1 5 . 1 1 66 66 LYS N N 66 118.715 118.715 118.980 -0.265 25924 1931 1 5 . 1 1 66 66 LYS HA H 66 3.626 3.626 3.912 -0.286 25924 1932 1 5 . 1 1 66 66 LYS C C 66 175.275 175.275 178.292 -3.017 25924 1933 1 5 . 1 1 66 66 LYS CA C 66 57.658 57.658 59.206 -1.548 25924 1934 1 5 . 1 1 66 66 LYS CB C 66 30.268 30.268 31.981 -1.713 25924 1935 1 5 . 1 1 66 66 LYS H H 66 8.353 8.353 7.947 0.406 25924 1936 1 5 . 1 1 67 67 MET N N 67 117.211 117.211 119.825 -2.614 25924 1937 1 5 . 1 1 67 67 MET HA H 67 3.821 3.821 4.162 -0.341 25924 1938 1 5 . 1 1 67 67 MET C C 67 175.660 175.660 178.322 -2.662 25924 1939 1 5 . 1 1 67 67 MET CA C 67 56.845 56.845 57.913 -1.068 25924 1940 1 5 . 1 1 67 67 MET CB C 67 29.950 29.950 31.903 -1.953 25924 1941 1 5 . 1 1 67 67 MET H H 67 8.011 8.011 7.784 0.227 25924 1942 1 5 . 1 1 68 68 GLY N N 68 105.985 105.985 106.421 -0.436 25924 1943 1 5 . 1 1 68 68 GLY C C 68 173.545 173.545 175.432 -1.887 25924 1944 1 5 . 1 1 68 68 GLY CA C 68 44.643 44.643 46.969 -2.326 25924 1945 1 5 . 1 1 68 68 GLY H H 68 8.094 8.094 8.071 0.023 25924 1946 1 5 . 1 1 69 69 ALA N N 69 127.579 127.579 124.778 2.801 25924 1947 1 5 . 1 1 69 69 ALA HA H 69 3.841 3.841 4.126 -0.285 25924 1948 1 5 . 1 1 69 69 ALA C C 69 175.840 175.840 179.182 -3.342 25924 1949 1 5 . 1 1 69 69 ALA CA C 69 52.512 52.512 54.882 -2.370 25924 1950 1 5 . 1 1 69 69 ALA CB C 69 15.069 15.069 18.362 -3.293 25924 1951 1 5 . 1 1 69 69 ALA H H 69 8.437 8.437 7.895 0.542 25924 1952 1 5 . 1 1 70 70 ALA N N 70 119.968 119.968 121.493 -1.525 25924 1953 1 5 . 1 1 70 70 ALA HA H 70 4.003 4.003 3.904 0.099 25924 1954 1 5 . 1 1 70 70 ALA C C 70 176.847 176.847 179.101 -2.254 25924 1955 1 5 . 1 1 70 70 ALA CA C 70 52.759 52.759 54.935 -2.176 25924 1956 1 5 . 1 1 70 70 ALA CB C 70 15.297 15.297 18.298 -3.001 25924 1957 1 5 . 1 1 70 70 ALA H H 70 8.219 8.219 7.995 0.224 25924 1958 1 5 . 1 1 71 71 MET N N 71 115.754 115.754 118.125 -2.371 25924 1959 1 5 . 1 1 71 71 MET HA H 71 4.010 4.010 4.023 -0.013 25924 1960 1 5 . 1 1 71 71 MET C C 71 175.596 175.596 177.496 -1.900 25924 1961 1 5 . 1 1 71 71 MET CA C 71 56.613 56.613 58.945 -2.332 25924 1962 1 5 . 1 1 71 71 MET CB C 71 30.407 30.407 32.581 -2.174 25924 1963 1 5 . 1 1 71 71 MET H H 71 8.294 8.294 8.023 0.271 25924 1964 1 5 . 1 1 72 72 ASP N N 72 120.287 120.287 120.373 -0.086 25924 1965 1 5 . 1 1 72 72 ASP HA H 72 4.389 4.389 4.335 0.054 25924 1966 1 5 . 1 1 72 72 ASP C C 72 175.052 175.052 178.073 -3.021 25924 1967 1 5 . 1 1 72 72 ASP CA C 72 54.995 54.995 57.231 -2.236 25924 1968 1 5 . 1 1 72 72 ASP CB C 72 40.461 40.461 40.732 -0.271 25924 1969 1 5 . 1 1 72 72 ASP H H 72 8.045 8.045 8.138 -0.093 25924 1970 1 5 . 1 1 73 73 ALA N N 73 119.640 119.640 122.960 -3.320 25924 1971 1 5 . 1 1 73 73 ALA HA H 73 4.188 4.188 4.217 -0.029 25924 1972 1 5 . 1 1 73 73 ALA C C 73 177.251 177.251 179.812 -2.561 25924 1973 1 5 . 1 1 73 73 ALA CA C 73 52.041 52.041 54.895 -2.854 25924 1974 1 5 . 1 1 73 73 ALA CB C 73 16.473 16.473 18.535 -2.062 25924 1975 1 5 . 1 1 73 73 ALA H H 73 8.028 8.028 7.678 0.350 25924 1976 1 5 . 1 1 74 74 LEU N N 74 117.010 117.010 119.727 -2.717 25924 1977 1 5 . 1 1 74 74 LEU HA H 74 3.992 3.992 3.929 0.063 25924 1978 1 5 . 1 1 74 74 LEU C C 74 176.643 176.643 178.755 -2.112 25924 1979 1 5 . 1 1 74 74 LEU CA C 74 55.519 55.519 57.916 -2.397 25924 1980 1 5 . 1 1 74 74 LEU CB C 74 39.698 39.698 42.036 -2.338 25924 1981 1 5 . 1 1 74 74 LEU H H 74 8.397 8.397 7.883 0.514 25924 1982 1 5 . 1 1 75 75 GLU N N 75 117.709 117.709 119.208 -1.499 25924 1983 1 5 . 1 1 75 75 GLU HA H 75 4.109 4.109 4.077 0.032 25924 1984 1 5 . 1 1 75 75 GLU C C 75 175.976 175.976 178.333 -2.357 25924 1985 1 5 . 1 1 75 75 GLU CA C 75 55.916 55.916 58.829 -2.913 25924 1986 1 5 . 1 1 75 75 GLU CB C 75 27.425 27.425 29.997 -2.572 25924 1987 1 5 . 1 1 75 75 GLU H H 75 7.812 7.812 8.295 -0.483 25924 1988 1 5 . 1 1 76 76 LYS N N 76 117.440 117.440 116.038 1.402 25924 1989 1 5 . 1 1 76 76 LYS HA H 76 4.140 4.140 4.186 -0.046 25924 1990 1 5 . 1 1 76 76 LYS C C 76 174.882 174.882 176.622 -1.740 25924 1991 1 5 . 1 1 76 76 LYS CA C 76 55.187 55.187 56.648 -1.461 25924 1992 1 5 . 1 1 76 76 LYS CB C 76 31.270 31.270 33.259 -1.989 25924 1993 1 5 . 1 1 76 76 LYS H H 76 7.892 7.892 7.808 0.084 25924 1994 1 5 . 1 1 77 77 TYR N N 77 120.225 120.225 119.401 0.824 25924 1995 1 5 . 1 1 77 77 TYR HA H 77 4.044 4.044 3.967 0.077 25924 1996 1 5 . 1 1 77 77 TYR C C 77 172.041 172.041 173.834 -1.793 25924 1997 1 5 . 1 1 77 77 TYR CA C 77 56.878 56.878 58.249 -1.371 25924 1998 1 5 . 1 1 77 77 TYR CB C 77 35.852 35.852 36.709 -0.857 25924 1999 1 5 . 1 1 77 77 TYR H H 77 8.149 8.149 8.057 0.092 25924 2000 1 5 . 1 1 78 78 ASN N N 78 121.088 121.088 121.073 0.015 25924 2001 1 5 . 1 1 78 78 ASN HA H 78 4.537 4.537 4.661 -0.124 25924 2002 1 5 . 1 1 78 78 ASN C C 78 171.116 171.116 174.786 -3.670 25924 2003 1 5 . 1 1 78 78 ASN CA C 78 49.866 49.866 52.809 -2.943 25924 2004 1 5 . 1 1 78 78 ASN CB C 78 35.302 35.302 38.743 -3.441 25924 2005 1 5 . 1 1 78 78 ASN H H 78 7.436 7.436 7.967 -0.531 25924 2006 1 5 . 1 1 79 79 PHE N N 79 122.211 122.211 125.071 -2.860 25924 2007 1 5 . 1 1 79 79 PHE C C 79 171.220 171.220 175.386 -4.166 25924 2008 1 5 . 1 1 79 79 PHE CA C 79 54.195 54.195 56.217 -2.022 25924 2009 1 5 . 1 1 79 79 PHE CB C 79 35.969 35.969 38.808 -2.839 25924 2010 1 5 . 1 1 79 79 PHE H H 79 7.901 7.901 8.517 -0.616 25924 2011 1 5 . 1 1 80 80 PRO HA H 80 4.367 4.367 4.459 -0.092 25924 2012 1 5 . 1 1 80 80 PRO C C 80 173.721 173.721 176.074 -2.353 25924 2013 1 5 . 1 1 80 80 PRO CA C 80 60.634 60.634 64.057 -3.423 25924 2014 1 5 . 1 1 80 80 PRO CB C 80 29.356 29.356 31.919 -2.563 25924 2015 1 5 . 1 1 81 81 GLN N N 81 120.432 120.432 115.209 5.223 25924 2016 1 5 . 1 1 81 81 GLN HA H 81 4.232 4.232 4.514 -0.282 25924 2017 1 5 . 1 1 81 81 GLN C C 81 172.475 172.475 174.002 -1.527 25924 2018 1 5 . 1 1 81 81 GLN CA C 81 53.216 53.216 54.618 -1.402 25924 2019 1 5 . 1 1 81 81 GLN CB C 81 26.823 26.823 30.113 -3.290 25924 2020 1 5 . 1 1 81 81 GLN H H 81 8.347 8.347 7.806 0.541 25924 2021 1 6 . 1 1 6 6 PRO HA H 6 4.233 4.233 4.486 -0.253 25924 2022 1 6 . 1 1 6 6 PRO C C 6 174.849 174.849 178.162 -3.313 25924 2023 1 6 . 1 1 6 6 PRO CA C 6 62.494 62.494 62.092 0.402 25924 2024 1 6 . 1 1 6 6 PRO CB C 6 30.061 30.061 32.845 -2.784 25924 2025 1 6 . 1 1 7 7 ILE N N 7 118.341 118.341 119.962 -1.621 25924 2026 1 6 . 1 1 7 7 ILE HA H 7 3.556 3.556 3.762 -0.206 25924 2027 1 6 . 1 1 7 7 ILE C C 7 177.294 177.294 177.695 -0.401 25924 2028 1 6 . 1 1 7 7 ILE CA C 7 62.546 62.546 62.719 -0.173 25924 2029 1 6 . 1 1 7 7 ILE CB C 7 34.984 34.984 37.436 -2.452 25924 2030 1 6 . 1 1 7 7 ILE H H 7 7.420 7.420 8.603 -1.183 25924 2031 1 6 . 1 1 8 8 SER N N 8 118.043 118.043 115.456 2.587 25924 2032 1 6 . 1 1 8 8 SER HA H 8 4.140 4.140 3.970 0.170 25924 2033 1 6 . 1 1 8 8 SER C C 8 174.216 174.216 176.428 -2.212 25924 2034 1 6 . 1 1 8 8 SER CA C 8 58.686 58.686 61.122 -2.436 25924 2035 1 6 . 1 1 8 8 SER CB C 8 59.913 59.913 62.349 -2.436 25924 2036 1 6 . 1 1 8 8 SER H H 8 7.867 7.867 8.416 -0.549 25924 2037 1 6 . 1 1 9 9 GLN N N 9 121.528 121.528 121.976 -0.448 25924 2038 1 6 . 1 1 9 9 GLN HA H 9 3.894 3.894 4.023 -0.129 25924 2039 1 6 . 1 1 9 9 GLN C C 9 175.750 175.750 178.051 -2.301 25924 2040 1 6 . 1 1 9 9 GLN CA C 9 56.418 56.418 58.904 -2.486 25924 2041 1 6 . 1 1 9 9 GLN CB C 9 26.763 26.763 28.632 -1.869 25924 2042 1 6 . 1 1 9 9 GLN H H 9 8.384 8.384 7.520 0.864 25924 2043 1 6 . 1 1 10 10 LEU N N 10 120.026 120.026 120.010 0.016 25924 2044 1 6 . 1 1 10 10 LEU HA H 10 3.903 3.903 4.075 -0.172 25924 2045 1 6 . 1 1 10 10 LEU C C 10 174.336 174.336 179.080 -4.744 25924 2046 1 6 . 1 1 10 10 LEU CA C 10 55.816 55.816 57.624 -1.808 25924 2047 1 6 . 1 1 10 10 LEU CB C 10 38.168 38.168 40.849 -2.681 25924 2048 1 6 . 1 1 10 10 LEU H H 10 8.357 8.357 7.465 0.892 25924 2049 1 6 . 1 1 11 11 GLN N N 11 116.550 116.550 118.456 -1.906 25924 2050 1 6 . 1 1 11 11 GLN HA H 11 3.591 3.591 3.889 -0.298 25924 2051 1 6 . 1 1 11 11 GLN C C 11 175.196 175.196 178.490 -3.294 25924 2052 1 6 . 1 1 11 11 GLN CA C 11 57.729 57.729 58.732 -1.003 25924 2053 1 6 . 1 1 11 11 GLN CB C 11 20.954 20.954 28.333 -7.379 25924 2054 1 6 . 1 1 11 11 GLN H H 11 7.445 7.445 8.460 -1.015 25924 2055 1 6 . 1 1 12 12 GLN N N 12 116.948 116.948 118.661 -1.713 25924 2056 1 6 . 1 1 12 12 GLN HA H 12 3.940 3.940 4.027 -0.087 25924 2057 1 6 . 1 1 12 12 GLN C C 12 176.463 176.463 178.589 -2.126 25924 2058 1 6 . 1 1 12 12 GLN CA C 12 56.111 56.111 58.977 -2.866 25924 2059 1 6 . 1 1 12 12 GLN CB C 12 25.406 25.406 28.282 -2.876 25924 2060 1 6 . 1 1 12 12 GLN H H 12 8.159 8.159 8.297 -0.138 25924 2061 1 6 . 1 1 13 13 CYS N N 13 119.104 119.104 118.200 0.904 25924 2062 1 6 . 1 1 13 13 CYS HA H 13 4.246 4.246 4.179 0.067 25924 2063 1 6 . 1 1 13 13 CYS C C 13 174.884 174.884 177.182 -2.298 25924 2064 1 6 . 1 1 13 13 CYS CA C 13 55.688 55.688 63.532 -7.845 25924 2065 1 6 . 1 1 13 13 CYS CB C 13 36.819 36.819 27.253 9.566 25924 2066 1 6 . 1 1 13 13 CYS H H 13 8.255 8.255 7.849 0.406 25924 2067 1 6 . 1 1 14 14 CYS N N 14 119.738 119.738 119.312 0.426 25924 2068 1 6 . 1 1 14 14 CYS HA H 14 3.872 3.872 4.039 -0.167 25924 2069 1 6 . 1 1 14 14 CYS C C 14 174.825 174.825 176.952 -2.127 25924 2070 1 6 . 1 1 14 14 CYS CA C 14 59.649 59.649 62.725 -3.076 25924 2071 1 6 . 1 1 14 14 CYS CB C 14 30.799 30.799 26.657 4.142 25924 2072 1 6 . 1 1 14 14 CYS H H 14 8.472 8.472 7.530 0.942 25924 2073 1 6 . 1 1 15 15 LEU N N 15 120.206 120.206 119.270 0.936 25924 2074 1 6 . 1 1 15 15 LEU HA H 15 4.164 4.164 4.039 0.125 25924 2075 1 6 . 1 1 15 15 LEU C C 15 176.334 176.334 178.453 -2.119 25924 2076 1 6 . 1 1 15 15 LEU CA C 15 55.008 55.008 57.917 -2.909 25924 2077 1 6 . 1 1 15 15 LEU CB C 15 39.276 39.276 41.938 -2.662 25924 2078 1 6 . 1 1 15 15 LEU H H 15 7.875 7.875 7.676 0.199 25924 2079 1 6 . 1 1 16 16 THR N N 16 111.015 111.015 108.092 2.923 25924 2080 1 6 . 1 1 16 16 THR HA H 16 4.188 4.188 4.185 0.003 25924 2081 1 6 . 1 1 16 16 THR C C 16 172.543 172.543 174.510 -1.967 25924 2082 1 6 . 1 1 16 16 THR CA C 16 61.556 61.556 62.160 -0.604 25924 2083 1 6 . 1 1 16 16 THR CB C 16 67.074 67.074 69.479 -2.405 25924 2084 1 6 . 1 1 16 16 THR H H 16 7.636 7.636 7.534 0.102 25924 2085 1 6 . 1 1 17 17 LEU N N 17 121.097 121.097 123.365 -2.268 25924 2086 1 6 . 1 1 17 17 LEU HA H 17 4.366 4.366 4.304 0.062 25924 2087 1 6 . 1 1 17 17 LEU C C 17 174.215 174.215 176.085 -1.870 25924 2088 1 6 . 1 1 17 17 LEU CA C 17 52.269 52.269 55.016 -2.747 25924 2089 1 6 . 1 1 17 17 LEU CB C 17 39.018 39.018 42.848 -3.830 25924 2090 1 6 . 1 1 17 17 LEU H H 17 7.364 7.364 7.095 0.269 25924 2091 1 6 . 1 1 18 18 ARG N N 18 120.709 120.709 126.520 -5.811 25924 2092 1 6 . 1 1 18 18 ARG HA H 18 4.371 4.371 4.358 0.013 25924 2093 1 6 . 1 1 18 18 ARG C C 18 173.362 173.362 175.672 -2.310 25924 2094 1 6 . 1 1 18 18 ARG CA C 18 53.709 53.709 56.552 -2.843 25924 2095 1 6 . 1 1 18 18 ARG CB C 18 28.038 28.038 31.151 -3.113 25924 2096 1 6 . 1 1 18 18 ARG H H 18 7.555 7.555 8.458 -0.903 25924 2097 1 6 . 1 1 19 19 THR N N 19 118.668 118.668 120.016 -1.348 25924 2098 1 6 . 1 1 19 19 THR HA H 19 4.387 4.387 4.509 -0.122 25924 2099 1 6 . 1 1 19 19 THR C C 19 171.580 171.580 174.375 -2.795 25924 2100 1 6 . 1 1 19 19 THR CA C 19 58.936 58.936 62.017 -3.081 25924 2101 1 6 . 1 1 19 19 THR CB C 19 67.672 67.672 69.157 -1.485 25924 2102 1 6 . 1 1 19 19 THR H H 19 8.540 8.540 8.458 0.082 25924 2103 1 6 . 1 1 20 20 GLU N N 20 124.039 124.039 127.941 -3.902 25924 2104 1 6 . 1 1 20 20 GLU HA H 20 4.075 4.075 4.182 -0.107 25924 2105 1 6 . 1 1 20 20 GLU C C 20 174.446 174.446 177.187 -2.741 25924 2106 1 6 . 1 1 20 20 GLU CA C 20 54.949 54.949 57.605 -2.656 25924 2107 1 6 . 1 1 20 20 GLU CB C 20 26.872 26.872 29.477 -2.605 25924 2108 1 6 . 1 1 20 20 GLU H H 20 8.586 8.586 8.823 -0.237 25924 2109 1 6 . 1 1 21 21 GLY N N 21 111.169 111.169 111.634 -0.465 25924 2110 1 6 . 1 1 21 21 GLY C C 21 171.105 171.105 174.007 -2.902 25924 2111 1 6 . 1 1 21 21 GLY CA C 21 42.662 42.662 44.874 -2.212 25924 2112 1 6 . 1 1 21 21 GLY H H 21 8.552 8.552 8.823 -0.271 25924 2113 1 6 . 1 1 22 22 LYS N N 22 119.376 119.376 119.780 -0.404 25924 2114 1 6 . 1 1 22 22 LYS HA H 22 4.453 4.453 4.505 -0.052 25924 2115 1 6 . 1 1 22 22 LYS C C 22 173.525 173.525 174.575 -1.050 25924 2116 1 6 . 1 1 22 22 LYS CA C 22 52.416 52.416 54.697 -2.281 25924 2117 1 6 . 1 1 22 22 LYS CB C 22 31.336 31.336 36.244 -4.908 25924 2118 1 6 . 1 1 22 22 LYS H H 22 7.798 7.798 7.665 0.133 25924 2119 1 6 . 1 1 23 23 GLU N N 23 122.631 122.631 121.182 1.449 25924 2120 1 6 . 1 1 23 23 GLU C C 23 172.069 172.069 175.104 -3.035 25924 2121 1 6 . 1 1 23 23 GLU CA C 23 51.739 51.739 54.915 -3.176 25924 2122 1 6 . 1 1 23 23 GLU CB C 23 26.486 26.486 29.478 -2.992 25924 2123 1 6 . 1 1 24 24 PRO HA H 24 4.402 4.402 4.496 -0.094 25924 2124 1 6 . 1 1 24 24 PRO C C 24 173.547 173.547 175.940 -2.393 25924 2125 1 6 . 1 1 24 24 PRO CA C 24 60.521 60.521 63.082 -2.561 25924 2126 1 6 . 1 1 24 24 PRO CB C 24 29.522 29.522 32.171 -2.649 25924 2127 1 6 . 1 1 25 25 ASP N N 25 121.674 121.674 123.335 -1.661 25924 2128 1 6 . 1 1 25 25 ASP HA H 25 4.657 4.657 4.746 -0.089 25924 2129 1 6 . 1 1 25 25 ASP C C 25 171.891 171.891 175.825 -3.934 25924 2130 1 6 . 1 1 25 25 ASP CA C 25 53.718 53.718 53.735 -0.017 25924 2131 1 6 . 1 1 25 25 ASP CB C 25 40.677 40.677 42.323 -1.646 25924 2132 1 6 . 1 1 25 25 ASP H H 25 8.232 8.232 8.408 -0.176 25924 2133 1 6 . 1 1 26 26 ILE N N 26 116.402 116.402 121.492 -5.090 25924 2134 1 6 . 1 1 26 26 ILE C C 26 171.291 171.291 174.224 -2.933 25924 2135 1 6 . 1 1 26 26 ILE CA C 26 55.315 55.315 57.230 -1.915 25924 2136 1 6 . 1 1 26 26 ILE CB C 26 37.365 37.365 37.101 0.264 25924 2137 1 6 . 1 1 26 26 ILE H H 26 8.108 8.108 8.296 -0.188 25924 2138 1 6 . 1 1 27 27 PRO HA H 27 4.723 4.723 4.461 0.262 25924 2139 1 6 . 1 1 27 27 PRO C C 27 172.234 172.234 175.751 -3.517 25924 2140 1 6 . 1 1 27 27 PRO CA C 27 60.676 60.676 62.233 -1.557 25924 2141 1 6 . 1 1 27 27 PRO CB C 27 29.510 29.510 32.475 -2.965 25924 2142 1 6 . 1 1 28 28 LEU N N 28 124.504 124.504 124.322 0.182 25924 2143 1 6 . 1 1 28 28 LEU HA H 28 4.712 4.712 4.573 0.139 25924 2144 1 6 . 1 1 28 28 LEU C C 28 172.463 172.463 175.114 -2.651 25924 2145 1 6 . 1 1 28 28 LEU CA C 28 50.999 50.999 54.473 -3.474 25924 2146 1 6 . 1 1 28 28 LEU CB C 28 42.433 42.433 45.231 -2.798 25924 2147 1 6 . 1 1 28 28 LEU H H 28 8.477 8.477 7.831 0.646 25924 2148 1 6 . 1 1 29 29 TYR N N 29 123.137 123.137 123.357 -0.220 25924 2149 1 6 . 1 1 29 29 TYR HA H 29 5.285 5.285 4.751 0.534 25924 2150 1 6 . 1 1 29 29 TYR C C 29 173.614 173.614 174.816 -1.202 25924 2151 1 6 . 1 1 29 29 TYR CA C 29 54.959 54.959 56.680 -1.721 25924 2152 1 6 . 1 1 29 29 TYR CB C 29 37.328 37.328 39.443 -2.115 25924 2153 1 6 . 1 1 29 29 TYR H H 29 8.907 8.907 8.043 0.864 25924 2154 1 6 . 1 1 30 30 LYS N N 30 122.426 122.426 125.522 -3.096 25924 2155 1 6 . 1 1 30 30 LYS C C 30 172.500 172.500 175.604 -3.104 25924 2156 1 6 . 1 1 30 30 LYS CA C 30 52.399 52.399 55.366 -2.967 25924 2157 1 6 . 1 1 30 30 LYS CB C 30 34.086 34.086 35.721 -1.635 25924 2158 1 6 . 1 1 30 30 LYS H H 30 9.344 9.344 8.610 0.734 25924 2159 1 6 . 1 1 31 31 THR HA H 31 4.510 4.510 4.535 -0.025 25924 2160 1 6 . 1 1 31 31 THR CA C 31 60.787 60.787 63.076 -2.289 25924 2161 1 6 . 1 1 32 32 LEU N N 32 129.198 129.198 127.624 1.574 25924 2162 1 6 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.455 -0.015 25924 2163 1 6 . 1 1 32 32 LEU C C 32 174.368 174.368 176.671 -2.303 25924 2164 1 6 . 1 1 32 32 LEU CA C 32 52.683 52.683 56.057 -3.374 25924 2165 1 6 . 1 1 32 32 LEU CB C 32 40.207 40.207 42.941 -2.734 25924 2166 1 6 . 1 1 32 32 LEU H H 32 9.019 9.019 9.024 -0.005 25924 2167 1 6 . 1 1 33 33 GLN N N 33 115.992 115.992 113.260 2.732 25924 2168 1 6 . 1 1 33 33 GLN C C 33 171.615 171.615 174.015 -2.400 25924 2169 1 6 . 1 1 33 33 GLN CA C 33 53.264 53.264 54.444 -1.180 25924 2170 1 6 . 1 1 33 33 GLN CB C 33 28.844 28.844 30.998 -2.154 25924 2171 1 6 . 1 1 33 33 GLN H H 33 7.689 7.689 7.803 -0.114 25924 2172 1 6 . 1 1 34 34 THR N N 34 119.608 119.608 115.669 3.939 25924 2173 1 6 . 1 1 34 34 THR HA H 34 4.489 4.489 5.047 -0.558 25924 2174 1 6 . 1 1 34 34 THR C C 34 170.622 170.622 174.474 -3.852 25924 2175 1 6 . 1 1 34 34 THR CA C 34 59.144 59.144 60.927 -1.783 25924 2176 1 6 . 1 1 34 34 THR CB C 34 67.805 67.805 69.444 -1.639 25924 2177 1 6 . 1 1 34 34 THR H H 34 8.345 8.345 8.327 0.018 25924 2178 1 6 . 1 1 35 35 VAL N N 35 120.795 120.795 124.351 -3.556 25924 2179 1 6 . 1 1 35 35 VAL HA H 35 4.492 4.492 4.309 0.183 25924 2180 1 6 . 1 1 35 35 VAL C C 35 172.242 172.242 175.054 -2.812 25924 2181 1 6 . 1 1 35 35 VAL CA C 35 57.697 57.697 60.940 -3.243 25924 2182 1 6 . 1 1 35 35 VAL CB C 35 32.804 32.804 34.863 -2.059 25924 2183 1 6 . 1 1 35 35 VAL H H 35 8.134 8.134 8.744 -0.610 25924 2184 1 6 . 1 1 36 36 GLY N N 36 110.608 110.608 110.592 0.016 25924 2185 1 6 . 1 1 36 36 GLY C C 36 169.453 169.453 173.748 -4.295 25924 2186 1 6 . 1 1 36 36 GLY CA C 36 41.094 41.094 44.747 -3.653 25924 2187 1 6 . 1 1 36 36 GLY H H 36 8.229 8.229 8.812 -0.583 25924 2188 1 6 . 1 1 39 39 HIS HA H 39 4.631 4.631 4.706 -0.075 25924 2189 1 6 . 1 1 39 39 HIS C C 39 172.140 172.140 174.127 -1.987 25924 2190 1 6 . 1 1 39 39 HIS CA C 39 53.584 53.584 54.971 -1.387 25924 2191 1 6 . 1 1 39 39 HIS CB C 39 27.736 27.736 30.007 -2.271 25924 2192 1 6 . 1 1 40 40 ALA N N 40 128.155 128.155 123.570 4.585 25924 2193 1 6 . 1 1 40 40 ALA HA H 40 4.422 4.422 4.299 0.123 25924 2194 1 6 . 1 1 40 40 ALA C C 40 171.693 171.693 177.342 -5.649 25924 2195 1 6 . 1 1 40 40 ALA CA C 40 48.979 48.979 51.721 -2.742 25924 2196 1 6 . 1 1 40 40 ALA CB C 40 15.335 15.335 19.816 -4.481 25924 2197 1 6 . 1 1 40 40 ALA H H 40 7.582 7.582 8.322 -0.740 25924 2198 1 6 . 1 1 41 41 ARG N N 41 122.997 122.997 121.380 1.617 25924 2199 1 6 . 1 1 41 41 ARG HA H 41 4.467 4.467 4.171 0.296 25924 2200 1 6 . 1 1 41 41 ARG C C 41 174.236 174.236 176.133 -1.897 25924 2201 1 6 . 1 1 41 41 ARG CA C 41 52.715 52.715 55.324 -2.609 25924 2202 1 6 . 1 1 41 41 ARG CB C 41 29.506 29.506 30.154 -0.648 25924 2203 1 6 . 1 1 41 41 ARG H H 41 8.090 8.090 8.276 -0.186 25924 2204 1 6 . 1 1 42 42 THR N N 42 116.202 116.202 114.263 1.939 25924 2205 1 6 . 1 1 42 42 THR HA H 42 4.448 4.448 4.958 -0.510 25924 2206 1 6 . 1 1 42 42 THR C C 42 171.192 171.192 173.180 -1.988 25924 2207 1 6 . 1 1 42 42 THR CA C 42 59.750 59.750 59.914 -0.165 25924 2208 1 6 . 1 1 42 42 THR CB C 42 67.917 67.917 71.757 -3.840 25924 2209 1 6 . 1 1 42 42 THR H H 42 8.572 8.572 8.060 0.512 25924 2210 1 6 . 1 1 43 43 TYR N N 43 127.687 127.687 121.849 5.838 25924 2211 1 6 . 1 1 43 43 TYR HA H 43 4.719 4.719 4.796 -0.077 25924 2212 1 6 . 1 1 43 43 TYR C C 43 172.160 172.160 175.677 -3.517 25924 2213 1 6 . 1 1 43 43 TYR CA C 43 54.921 54.921 57.044 -2.123 25924 2214 1 6 . 1 1 43 43 TYR CB C 43 38.220 38.220 41.449 -3.229 25924 2215 1 6 . 1 1 43 43 TYR H H 43 9.255 9.255 9.296 -0.041 25924 2216 1 6 . 1 1 44 44 THR N N 44 117.178 117.178 119.955 -2.777 25924 2217 1 6 . 1 1 44 44 THR HA H 44 5.162 5.162 4.786 0.376 25924 2218 1 6 . 1 1 44 44 THR C C 44 171.330 171.330 173.334 -2.004 25924 2219 1 6 . 1 1 44 44 THR CA C 44 59.299 59.299 62.284 -2.985 25924 2220 1 6 . 1 1 44 44 THR CB C 44 67.619 67.619 69.480 -1.861 25924 2221 1 6 . 1 1 44 44 THR H H 44 8.699 8.699 8.552 0.147 25924 2222 1 6 . 1 1 45 45 VAL N N 45 128.199 128.199 127.083 1.116 25924 2223 1 6 . 1 1 45 45 VAL HA H 45 4.177 4.177 4.363 -0.186 25924 2224 1 6 . 1 1 45 45 VAL C C 45 169.635 169.635 173.618 -3.983 25924 2225 1 6 . 1 1 45 45 VAL CA C 45 57.558 57.558 60.887 -3.329 25924 2226 1 6 . 1 1 45 45 VAL CB C 45 32.829 32.829 34.003 -1.174 25924 2227 1 6 . 1 1 45 45 VAL H H 45 9.331 9.331 8.978 0.353 25924 2228 1 6 . 1 1 46 46 ALA N N 46 126.929 126.929 130.366 -3.437 25924 2229 1 6 . 1 1 46 46 ALA HA H 46 5.260 5.260 5.133 0.127 25924 2230 1 6 . 1 1 46 46 ALA C C 46 171.973 171.973 176.204 -4.231 25924 2231 1 6 . 1 1 46 46 ALA CA C 46 46.865 46.865 50.621 -3.756 25924 2232 1 6 . 1 1 46 46 ALA CB C 46 21.198 21.198 21.697 -0.499 25924 2233 1 6 . 1 1 46 46 ALA H H 46 8.961 8.961 8.676 0.285 25924 2234 1 6 . 1 1 47 47 VAL N N 47 118.914 118.914 124.928 -6.014 25924 2235 1 6 . 1 1 47 47 VAL HA H 47 4.961 4.961 4.214 0.747 25924 2236 1 6 . 1 1 47 47 VAL C C 47 170.285 170.285 174.914 -4.629 25924 2237 1 6 . 1 1 47 47 VAL CA C 47 55.384 55.384 61.831 -6.447 25924 2238 1 6 . 1 1 47 47 VAL CB C 47 32.098 32.098 33.101 -1.003 25924 2239 1 6 . 1 1 47 47 VAL H H 47 8.248 8.248 8.086 0.162 25924 2240 1 6 . 1 1 48 48 TYR N N 48 126.815 126.815 124.106 2.709 25924 2241 1 6 . 1 1 48 48 TYR HA H 48 5.217 5.217 4.940 0.277 25924 2242 1 6 . 1 1 48 48 TYR C C 48 172.504 172.504 173.602 -1.098 25924 2243 1 6 . 1 1 48 48 TYR CA C 48 53.610 53.610 55.015 -1.405 25924 2244 1 6 . 1 1 48 48 TYR CB C 48 40.339 40.339 40.228 0.111 25924 2245 1 6 . 1 1 48 48 TYR H H 48 9.274 9.274 7.927 1.347 25924 2246 1 6 . 1 1 49 49 PHE N N 49 119.234 119.234 122.197 -2.963 25924 2247 1 6 . 1 1 49 49 PHE HA H 49 4.766 4.766 4.829 -0.063 25924 2248 1 6 . 1 1 49 49 PHE C C 49 172.390 172.390 175.124 -2.734 25924 2249 1 6 . 1 1 49 49 PHE CA C 49 54.128 54.128 57.351 -3.223 25924 2250 1 6 . 1 1 49 49 PHE CB C 49 40.240 40.240 42.811 -2.571 25924 2251 1 6 . 1 1 49 49 PHE H H 49 9.024 9.024 9.115 -0.091 25924 2252 1 6 . 1 1 50 50 LYS N N 50 128.064 128.064 124.769 3.295 25924 2253 1 6 . 1 1 50 50 LYS HA H 50 3.502 3.502 3.790 -0.288 25924 2254 1 6 . 1 1 50 50 LYS C C 50 173.659 173.659 176.332 -2.673 25924 2255 1 6 . 1 1 50 50 LYS CA C 50 54.906 54.906 57.128 -2.222 25924 2256 1 6 . 1 1 50 50 LYS CB C 50 26.726 26.726 31.090 -4.364 25924 2257 1 6 . 1 1 50 50 LYS H H 50 9.035 9.035 8.649 0.386 25924 2258 1 6 . 1 1 51 51 GLY N N 51 104.286 104.286 102.976 1.310 25924 2259 1 6 . 1 1 51 51 GLY C C 51 170.970 170.970 173.687 -2.717 25924 2260 1 6 . 1 1 51 51 GLY CA C 51 42.553 42.553 44.988 -2.435 25924 2261 1 6 . 1 1 51 51 GLY H H 51 8.893 8.893 8.196 0.697 25924 2262 1 6 . 1 1 52 52 GLU N N 52 121.087 121.087 120.005 1.082 25924 2263 1 6 . 1 1 52 52 GLU HA H 52 4.617 4.617 4.584 0.033 25924 2264 1 6 . 1 1 52 52 GLU C C 52 172.477 172.477 175.728 -3.251 25924 2265 1 6 . 1 1 52 52 GLU CA C 52 51.709 51.709 54.707 -2.998 25924 2266 1 6 . 1 1 52 52 GLU CB C 52 29.248 29.248 32.780 -3.532 25924 2267 1 6 . 1 1 52 52 GLU H H 52 7.710 7.710 8.269 -0.559 25924 2268 1 6 . 1 1 53 53 ARG N N 53 126.720 126.720 124.642 2.078 25924 2269 1 6 . 1 1 53 53 ARG C C 53 173.977 173.977 176.815 -2.838 25924 2270 1 6 . 1 1 53 53 ARG CA C 53 54.250 54.250 57.660 -3.410 25924 2271 1 6 . 1 1 53 53 ARG CB C 53 27.373 27.373 30.585 -3.212 25924 2272 1 6 . 1 1 53 53 ARG H H 53 8.919 8.919 8.919 -0.000 25924 2273 1 6 . 1 1 54 54 ILE N N 54 122.215 122.215 117.695 4.520 25924 2274 1 6 . 1 1 54 54 ILE HA H 54 4.549 4.549 4.413 0.136 25924 2275 1 6 . 1 1 54 54 ILE C C 54 172.161 172.161 174.292 -2.131 25924 2276 1 6 . 1 1 54 54 ILE CA C 54 58.807 58.807 60.440 -1.633 25924 2277 1 6 . 1 1 54 54 ILE CB C 54 37.207 37.207 38.893 -1.686 25924 2278 1 6 . 1 1 54 54 ILE H H 54 8.920 8.920 8.386 0.534 25924 2279 1 6 . 1 1 55 55 GLY N N 55 107.034 107.034 106.139 0.895 25924 2280 1 6 . 1 1 55 55 GLY C C 55 169.649 169.649 171.419 -1.770 25924 2281 1 6 . 1 1 55 55 GLY CA C 55 42.712 42.712 45.296 -2.584 25924 2282 1 6 . 1 1 55 55 GLY H H 55 7.233 7.233 7.457 -0.224 25924 2283 1 6 . 1 1 56 56 CYS N N 56 121.361 121.361 120.654 0.707 25924 2284 1 6 . 1 1 56 56 CYS HA H 56 5.264 5.264 5.378 -0.114 25924 2285 1 6 . 1 1 56 56 CYS C C 56 169.550 169.550 174.303 -4.753 25924 2286 1 6 . 1 1 56 56 CYS CA C 56 53.638 53.638 57.695 -4.057 25924 2287 1 6 . 1 1 56 56 CYS CB C 56 40.291 40.291 30.278 10.013 25924 2288 1 6 . 1 1 56 56 CYS H H 56 9.739 9.739 8.169 1.570 25924 2289 1 6 . 1 1 57 57 GLY N N 57 113.662 113.662 114.852 -1.190 25924 2290 1 6 . 1 1 57 57 GLY C C 57 168.036 168.036 171.158 -3.122 25924 2291 1 6 . 1 1 57 57 GLY CA C 57 41.978 41.978 44.865 -2.887 25924 2292 1 6 . 1 1 57 57 GLY H H 57 9.408 9.408 9.072 0.336 25924 2293 1 6 . 1 1 58 58 LYS N N 58 117.565 117.565 119.012 -1.447 25924 2294 1 6 . 1 1 58 58 LYS HA H 58 5.981 5.981 5.481 0.500 25924 2295 1 6 . 1 1 58 58 LYS C C 58 174.185 174.185 175.446 -1.261 25924 2296 1 6 . 1 1 58 58 LYS CA C 58 51.418 51.418 54.441 -3.023 25924 2297 1 6 . 1 1 58 58 LYS CB C 58 34.533 34.533 36.295 -1.762 25924 2298 1 6 . 1 1 58 58 LYS H H 58 8.427 8.427 8.186 0.241 25924 2299 1 6 . 1 1 59 59 GLY N N 59 106.060 106.060 106.934 -0.874 25924 2300 1 6 . 1 1 59 59 GLY C C 59 168.361 168.361 172.254 -3.893 25924 2301 1 6 . 1 1 59 59 GLY CA C 59 43.281 43.281 45.681 -2.400 25924 2302 1 6 . 1 1 59 59 GLY H H 59 8.534 8.534 8.116 0.418 25924 2303 1 6 . 1 1 60 60 PRO HA H 60 5.242 5.242 4.791 0.451 25924 2304 1 6 . 1 1 60 60 PRO C C 60 172.019 172.019 176.144 -4.125 25924 2305 1 6 . 1 1 60 60 PRO CA C 60 61.161 61.161 63.532 -2.371 25924 2306 1 6 . 1 1 60 60 PRO CB C 60 29.185 29.185 32.310 -3.125 25924 2307 1 6 . 1 1 61 61 SER N N 61 110.749 110.749 111.689 -0.940 25924 2308 1 6 . 1 1 61 61 SER C C 61 170.857 170.857 174.298 -3.441 25924 2309 1 6 . 1 1 61 61 SER CA C 61 53.387 53.387 57.029 -3.643 25924 2310 1 6 . 1 1 61 61 SER CB C 61 63.795 63.795 66.805 -3.010 25924 2311 1 6 . 1 1 61 61 SER H H 61 7.289 7.289 7.486 -0.197 25924 2312 1 6 . 1 1 62 62 LYS HA H 62 3.155 3.155 3.956 -0.801 25924 2313 1 6 . 1 1 62 62 LYS C C 62 175.308 175.308 178.401 -3.093 25924 2314 1 6 . 1 1 62 62 LYS CA C 62 57.915 57.915 60.206 -2.291 25924 2315 1 6 . 1 1 62 62 LYS CB C 62 28.989 28.989 32.320 -3.331 25924 2316 1 6 . 1 1 63 63 LYS N N 63 118.188 118.188 120.009 -1.821 25924 2317 1 6 . 1 1 63 63 LYS HA H 63 3.709 3.709 3.941 -0.232 25924 2318 1 6 . 1 1 63 63 LYS C C 63 175.856 175.856 178.709 -2.853 25924 2319 1 6 . 1 1 63 63 LYS CA C 63 57.097 57.097 59.382 -2.284 25924 2320 1 6 . 1 1 63 63 LYS CB C 63 29.746 29.746 32.079 -2.333 25924 2321 1 6 . 1 1 63 63 LYS H H 63 8.246 8.246 8.227 0.019 25924 2322 1 6 . 1 1 64 64 GLN N N 64 116.733 116.733 117.910 -1.177 25924 2323 1 6 . 1 1 64 64 GLN HA H 64 3.927 3.927 4.068 -0.141 25924 2324 1 6 . 1 1 64 64 GLN C C 64 176.277 176.277 177.914 -1.637 25924 2325 1 6 . 1 1 64 64 GLN CA C 64 56.240 56.240 58.910 -2.670 25924 2326 1 6 . 1 1 64 64 GLN CB C 64 26.506 26.506 28.453 -1.947 25924 2327 1 6 . 1 1 64 64 GLN H H 64 7.701 7.701 8.417 -0.716 25924 2328 1 6 . 1 1 65 65 ALA N N 65 123.381 123.381 121.940 1.441 25924 2329 1 6 . 1 1 65 65 ALA HA H 65 3.726 3.726 4.027 -0.301 25924 2330 1 6 . 1 1 65 65 ALA C C 65 175.750 175.750 179.115 -3.365 25924 2331 1 6 . 1 1 65 65 ALA CA C 65 53.009 53.009 55.104 -2.095 25924 2332 1 6 . 1 1 65 65 ALA CB C 65 16.089 16.089 18.404 -2.315 25924 2333 1 6 . 1 1 65 65 ALA H H 65 7.933 7.933 8.014 -0.081 25924 2334 1 6 . 1 1 66 66 LYS N N 66 118.715 118.715 118.992 -0.277 25924 2335 1 6 . 1 1 66 66 LYS HA H 66 3.626 3.626 3.900 -0.274 25924 2336 1 6 . 1 1 66 66 LYS C C 66 175.275 175.275 178.641 -3.366 25924 2337 1 6 . 1 1 66 66 LYS CA C 66 57.658 57.658 59.269 -1.611 25924 2338 1 6 . 1 1 66 66 LYS CB C 66 30.268 30.268 31.879 -1.611 25924 2339 1 6 . 1 1 66 66 LYS H H 66 8.353 8.353 8.230 0.123 25924 2340 1 6 . 1 1 67 67 MET N N 67 117.211 117.211 118.822 -1.611 25924 2341 1 6 . 1 1 67 67 MET HA H 67 3.821 3.821 4.046 -0.225 25924 2342 1 6 . 1 1 67 67 MET C C 67 175.660 175.660 178.763 -3.103 25924 2343 1 6 . 1 1 67 67 MET CA C 67 56.845 56.845 58.995 -2.150 25924 2344 1 6 . 1 1 67 67 MET CB C 67 29.950 29.950 32.314 -2.364 25924 2345 1 6 . 1 1 67 67 MET H H 67 8.011 8.011 7.730 0.281 25924 2346 1 6 . 1 1 68 68 GLY N N 68 105.985 105.985 106.567 -0.582 25924 2347 1 6 . 1 1 68 68 GLY C C 68 173.545 173.545 175.461 -1.916 25924 2348 1 6 . 1 1 68 68 GLY CA C 68 44.643 44.643 46.772 -2.129 25924 2349 1 6 . 1 1 68 68 GLY H H 68 8.094 8.094 7.902 0.192 25924 2350 1 6 . 1 1 69 69 ALA N N 69 127.579 127.579 124.943 2.636 25924 2351 1 6 . 1 1 69 69 ALA HA H 69 3.841 3.841 4.073 -0.232 25924 2352 1 6 . 1 1 69 69 ALA C C 69 175.840 175.840 179.211 -3.371 25924 2353 1 6 . 1 1 69 69 ALA CA C 69 52.512 52.512 54.761 -2.249 25924 2354 1 6 . 1 1 69 69 ALA CB C 69 15.069 15.069 18.431 -3.362 25924 2355 1 6 . 1 1 69 69 ALA H H 69 8.437 8.437 8.248 0.189 25924 2356 1 6 . 1 1 70 70 ALA N N 70 119.968 119.968 121.288 -1.320 25924 2357 1 6 . 1 1 70 70 ALA HA H 70 4.003 4.003 3.951 0.052 25924 2358 1 6 . 1 1 70 70 ALA C C 70 176.847 176.847 179.386 -2.539 25924 2359 1 6 . 1 1 70 70 ALA CA C 70 52.759 52.759 55.043 -2.284 25924 2360 1 6 . 1 1 70 70 ALA CB C 70 15.297 15.297 18.192 -2.896 25924 2361 1 6 . 1 1 70 70 ALA H H 70 8.219 8.219 8.524 -0.305 25924 2362 1 6 . 1 1 71 71 MET N N 71 115.754 115.754 117.903 -2.149 25924 2363 1 6 . 1 1 71 71 MET HA H 71 4.010 4.010 3.971 0.039 25924 2364 1 6 . 1 1 71 71 MET C C 71 175.596 175.596 177.492 -1.896 25924 2365 1 6 . 1 1 71 71 MET CA C 71 56.613 56.613 59.217 -2.604 25924 2366 1 6 . 1 1 71 71 MET CB C 71 30.407 30.407 32.481 -2.074 25924 2367 1 6 . 1 1 71 71 MET H H 71 8.294 8.294 7.887 0.407 25924 2368 1 6 . 1 1 72 72 ASP N N 72 120.287 120.287 120.371 -0.084 25924 2369 1 6 . 1 1 72 72 ASP HA H 72 4.389 4.389 4.299 0.090 25924 2370 1 6 . 1 1 72 72 ASP C C 72 175.052 175.052 177.992 -2.940 25924 2371 1 6 . 1 1 72 72 ASP CA C 72 54.995 54.995 57.148 -2.153 25924 2372 1 6 . 1 1 72 72 ASP CB C 72 40.461 40.461 40.697 -0.235 25924 2373 1 6 . 1 1 72 72 ASP H H 72 8.045 8.045 8.071 -0.026 25924 2374 1 6 . 1 1 73 73 ALA N N 73 119.640 119.640 122.433 -2.793 25924 2375 1 6 . 1 1 73 73 ALA HA H 73 4.188 4.188 4.163 0.025 25924 2376 1 6 . 1 1 73 73 ALA C C 73 177.251 177.251 179.771 -2.520 25924 2377 1 6 . 1 1 73 73 ALA CA C 73 52.041 52.041 54.794 -2.753 25924 2378 1 6 . 1 1 73 73 ALA CB C 73 16.473 16.473 18.570 -2.097 25924 2379 1 6 . 1 1 73 73 ALA H H 73 8.028 8.028 7.632 0.396 25924 2380 1 6 . 1 1 74 74 LEU N N 74 117.010 117.010 119.581 -2.571 25924 2381 1 6 . 1 1 74 74 LEU HA H 74 3.992 3.992 3.742 0.250 25924 2382 1 6 . 1 1 74 74 LEU C C 74 176.643 176.643 178.320 -1.677 25924 2383 1 6 . 1 1 74 74 LEU CA C 74 55.519 55.519 57.636 -2.117 25924 2384 1 6 . 1 1 74 74 LEU CB C 74 39.698 39.698 41.706 -2.008 25924 2385 1 6 . 1 1 74 74 LEU H H 74 8.397 8.397 7.809 0.588 25924 2386 1 6 . 1 1 75 75 GLU N N 75 117.709 117.709 117.148 0.561 25924 2387 1 6 . 1 1 75 75 GLU HA H 75 4.109 4.109 3.847 0.262 25924 2388 1 6 . 1 1 75 75 GLU C C 75 175.976 175.976 177.593 -1.617 25924 2389 1 6 . 1 1 75 75 GLU CA C 75 55.916 55.916 58.497 -2.581 25924 2390 1 6 . 1 1 75 75 GLU CB C 75 27.425 27.425 29.905 -2.480 25924 2391 1 6 . 1 1 75 75 GLU H H 75 7.812 7.812 8.126 -0.314 25924 2392 1 6 . 1 1 76 76 LYS N N 76 117.440 117.440 114.780 2.660 25924 2393 1 6 . 1 1 76 76 LYS HA H 76 4.140 4.140 4.282 -0.142 25924 2394 1 6 . 1 1 76 76 LYS C C 76 174.882 174.882 176.998 -2.116 25924 2395 1 6 . 1 1 76 76 LYS CA C 76 55.187 55.187 56.257 -1.070 25924 2396 1 6 . 1 1 76 76 LYS CB C 76 31.270 31.270 32.992 -1.722 25924 2397 1 6 . 1 1 76 76 LYS H H 76 7.892 7.892 7.788 0.104 25924 2398 1 6 . 1 1 77 77 TYR N N 77 120.225 120.225 115.342 4.883 25924 2399 1 6 . 1 1 77 77 TYR HA H 77 4.044 4.044 4.215 -0.171 25924 2400 1 6 . 1 1 77 77 TYR C C 77 172.041 172.041 174.708 -2.667 25924 2401 1 6 . 1 1 77 77 TYR CA C 77 56.878 56.878 58.797 -1.919 25924 2402 1 6 . 1 1 77 77 TYR CB C 77 35.852 35.852 35.223 0.629 25924 2403 1 6 . 1 1 77 77 TYR H H 77 8.149 8.149 7.618 0.531 25924 2404 1 6 . 1 1 78 78 ASN N N 78 121.088 121.088 117.572 3.516 25924 2405 1 6 . 1 1 78 78 ASN HA H 78 4.537 4.537 4.783 -0.246 25924 2406 1 6 . 1 1 78 78 ASN C C 78 171.116 171.116 174.426 -3.310 25924 2407 1 6 . 1 1 78 78 ASN CA C 78 49.866 49.866 53.977 -4.111 25924 2408 1 6 . 1 1 78 78 ASN CB C 78 35.302 35.302 38.262 -2.960 25924 2409 1 6 . 1 1 78 78 ASN H H 78 7.436 7.436 7.656 -0.220 25924 2410 1 6 . 1 1 79 79 PHE N N 79 122.211 122.211 122.206 0.005 25924 2411 1 6 . 1 1 79 79 PHE C C 79 171.220 171.220 173.890 -2.670 25924 2412 1 6 . 1 1 79 79 PHE CA C 79 54.195 54.195 59.872 -5.677 25924 2413 1 6 . 1 1 79 79 PHE CB C 79 35.969 35.969 39.205 -3.236 25924 2414 1 6 . 1 1 79 79 PHE H H 79 7.901 7.901 8.372 -0.471 25924 2415 1 6 . 1 1 80 80 PRO HA H 80 4.367 4.367 4.525 -0.158 25924 2416 1 6 . 1 1 80 80 PRO C C 80 173.721 173.721 176.030 -2.309 25924 2417 1 6 . 1 1 80 80 PRO CA C 80 60.634 60.634 63.744 -3.110 25924 2418 1 6 . 1 1 80 80 PRO CB C 80 29.356 29.356 32.222 -2.866 25924 2419 1 6 . 1 1 81 81 GLN N N 81 120.432 120.432 116.616 3.816 25924 2420 1 6 . 1 1 81 81 GLN HA H 81 4.232 4.232 4.506 -0.274 25924 2421 1 6 . 1 1 81 81 GLN C C 81 172.475 172.475 174.518 -2.043 25924 2422 1 6 . 1 1 81 81 GLN CA C 81 53.216 53.216 56.014 -2.797 25924 2423 1 6 . 1 1 81 81 GLN CB C 81 26.823 26.823 28.739 -1.916 25924 2424 1 6 . 1 1 81 81 GLN H H 81 8.347 8.347 8.388 -0.041 25924 2425 1 7 . 1 1 6 6 PRO HA H 6 4.233 4.233 4.379 -0.146 25924 2426 1 7 . 1 1 6 6 PRO C C 6 174.849 174.849 178.006 -3.157 25924 2427 1 7 . 1 1 6 6 PRO CA C 6 62.494 62.494 63.141 -0.647 25924 2428 1 7 . 1 1 6 6 PRO CB C 6 30.061 30.061 32.311 -2.250 25924 2429 1 7 . 1 1 7 7 ILE N N 7 118.341 118.341 122.415 -4.074 25924 2430 1 7 . 1 1 7 7 ILE HA H 7 3.556 3.556 3.792 -0.236 25924 2431 1 7 . 1 1 7 7 ILE C C 7 177.294 177.294 177.794 -0.500 25924 2432 1 7 . 1 1 7 7 ILE CA C 7 62.546 62.546 63.504 -0.958 25924 2433 1 7 . 1 1 7 7 ILE CB C 7 34.984 34.984 37.589 -2.605 25924 2434 1 7 . 1 1 7 7 ILE H H 7 7.420 7.420 8.675 -1.255 25924 2435 1 7 . 1 1 8 8 SER N N 8 118.043 118.043 115.206 2.837 25924 2436 1 7 . 1 1 8 8 SER HA H 8 4.140 4.140 3.910 0.230 25924 2437 1 7 . 1 1 8 8 SER C C 8 174.216 174.216 176.160 -1.944 25924 2438 1 7 . 1 1 8 8 SER CA C 8 58.686 58.686 61.541 -2.854 25924 2439 1 7 . 1 1 8 8 SER CB C 8 59.913 59.913 62.512 -2.599 25924 2440 1 7 . 1 1 8 8 SER H H 8 7.867 7.867 8.261 -0.394 25924 2441 1 7 . 1 1 9 9 GLN N N 9 121.528 121.528 121.671 -0.143 25924 2442 1 7 . 1 1 9 9 GLN HA H 9 3.894 3.894 4.031 -0.137 25924 2443 1 7 . 1 1 9 9 GLN C C 9 175.750 175.750 178.096 -2.346 25924 2444 1 7 . 1 1 9 9 GLN CA C 9 56.418 56.418 58.861 -2.443 25924 2445 1 7 . 1 1 9 9 GLN CB C 9 26.763 26.763 28.535 -1.772 25924 2446 1 7 . 1 1 9 9 GLN H H 9 8.384 8.384 7.705 0.679 25924 2447 1 7 . 1 1 10 10 LEU N N 10 120.026 120.026 121.030 -1.004 25924 2448 1 7 . 1 1 10 10 LEU HA H 10 3.903 3.903 4.106 -0.203 25924 2449 1 7 . 1 1 10 10 LEU C C 10 174.336 174.336 178.951 -4.615 25924 2450 1 7 . 1 1 10 10 LEU CA C 10 55.816 55.816 57.704 -1.888 25924 2451 1 7 . 1 1 10 10 LEU CB C 10 38.168 38.168 41.020 -2.852 25924 2452 1 7 . 1 1 10 10 LEU H H 10 8.357 8.357 7.773 0.584 25924 2453 1 7 . 1 1 11 11 GLN N N 11 116.550 116.550 118.676 -2.126 25924 2454 1 7 . 1 1 11 11 GLN HA H 11 3.591 3.591 3.978 -0.387 25924 2455 1 7 . 1 1 11 11 GLN C C 11 175.196 175.196 178.620 -3.424 25924 2456 1 7 . 1 1 11 11 GLN CA C 11 57.729 57.729 58.929 -1.200 25924 2457 1 7 . 1 1 11 11 GLN CB C 11 20.954 20.954 28.358 -7.404 25924 2458 1 7 . 1 1 11 11 GLN H H 11 7.445 7.445 8.289 -0.844 25924 2459 1 7 . 1 1 12 12 GLN N N 12 116.948 116.948 119.146 -2.198 25924 2460 1 7 . 1 1 12 12 GLN HA H 12 3.940 3.940 4.048 -0.108 25924 2461 1 7 . 1 1 12 12 GLN C C 12 176.463 176.463 178.967 -2.504 25924 2462 1 7 . 1 1 12 12 GLN CA C 12 56.111 56.111 58.892 -2.781 25924 2463 1 7 . 1 1 12 12 GLN CB C 12 25.406 25.406 28.494 -3.087 25924 2464 1 7 . 1 1 12 12 GLN H H 12 8.159 8.159 8.622 -0.463 25924 2465 1 7 . 1 1 13 13 CYS N N 13 119.104 119.104 119.444 -0.340 25924 2466 1 7 . 1 1 13 13 CYS HA H 13 4.246 4.246 4.140 0.106 25924 2467 1 7 . 1 1 13 13 CYS C C 13 174.884 174.884 177.314 -2.430 25924 2468 1 7 . 1 1 13 13 CYS CA C 13 55.688 55.688 63.386 -7.698 25924 2469 1 7 . 1 1 13 13 CYS CB C 13 36.819 36.819 27.249 9.570 25924 2470 1 7 . 1 1 13 13 CYS H H 13 8.255 8.255 7.969 0.286 25924 2471 1 7 . 1 1 14 14 CYS N N 14 119.738 119.738 119.217 0.521 25924 2472 1 7 . 1 1 14 14 CYS HA H 14 3.872 3.872 4.131 -0.259 25924 2473 1 7 . 1 1 14 14 CYS C C 14 174.825 174.825 176.552 -1.727 25924 2474 1 7 . 1 1 14 14 CYS CA C 14 59.649 59.649 64.128 -4.479 25924 2475 1 7 . 1 1 14 14 CYS CB C 14 30.799 30.799 27.236 3.563 25924 2476 1 7 . 1 1 14 14 CYS H H 14 8.472 8.472 7.914 0.558 25924 2477 1 7 . 1 1 15 15 LEU N N 15 120.206 120.206 119.029 1.177 25924 2478 1 7 . 1 1 15 15 LEU HA H 15 4.164 4.164 3.937 0.227 25924 2479 1 7 . 1 1 15 15 LEU C C 15 176.334 176.334 177.462 -1.128 25924 2480 1 7 . 1 1 15 15 LEU CA C 15 55.008 55.008 57.400 -2.392 25924 2481 1 7 . 1 1 15 15 LEU CB C 15 39.276 39.276 41.272 -1.996 25924 2482 1 7 . 1 1 15 15 LEU H H 15 7.875 7.875 7.582 0.293 25924 2483 1 7 . 1 1 16 16 THR N N 16 111.015 111.015 108.951 2.064 25924 2484 1 7 . 1 1 16 16 THR HA H 16 4.188 4.188 4.221 -0.033 25924 2485 1 7 . 1 1 16 16 THR C C 16 172.543 172.543 175.994 -3.451 25924 2486 1 7 . 1 1 16 16 THR CA C 16 61.556 61.556 62.860 -1.304 25924 2487 1 7 . 1 1 16 16 THR CB C 16 67.074 67.074 69.326 -2.252 25924 2488 1 7 . 1 1 16 16 THR H H 16 7.636 7.636 7.669 -0.033 25924 2489 1 7 . 1 1 17 17 LEU N N 17 121.097 121.097 126.106 -5.009 25924 2490 1 7 . 1 1 17 17 LEU HA H 17 4.366 4.366 4.276 0.090 25924 2491 1 7 . 1 1 17 17 LEU C C 17 174.215 174.215 174.650 -0.435 25924 2492 1 7 . 1 1 17 17 LEU CA C 17 52.269 52.269 54.231 -1.962 25924 2493 1 7 . 1 1 17 17 LEU CB C 17 39.018 39.018 40.690 -1.672 25924 2494 1 7 . 1 1 17 17 LEU H H 17 7.364 7.364 7.985 -0.621 25924 2495 1 7 . 1 1 18 18 ARG N N 18 120.709 120.709 120.917 -0.208 25924 2496 1 7 . 1 1 18 18 ARG HA H 18 4.371 4.371 4.300 0.071 25924 2497 1 7 . 1 1 18 18 ARG C C 18 173.362 173.362 175.918 -2.556 25924 2498 1 7 . 1 1 18 18 ARG CA C 18 53.709 53.709 56.296 -2.587 25924 2499 1 7 . 1 1 18 18 ARG CB C 18 28.038 28.038 29.832 -1.794 25924 2500 1 7 . 1 1 18 18 ARG H H 18 7.555 7.555 7.876 -0.321 25924 2501 1 7 . 1 1 19 19 THR N N 19 118.668 118.668 121.900 -3.232 25924 2502 1 7 . 1 1 19 19 THR HA H 19 4.387 4.387 4.542 -0.155 25924 2503 1 7 . 1 1 19 19 THR C C 19 171.580 171.580 172.953 -1.373 25924 2504 1 7 . 1 1 19 19 THR CA C 19 58.936 58.936 61.335 -2.399 25924 2505 1 7 . 1 1 19 19 THR CB C 19 67.672 67.672 71.452 -3.780 25924 2506 1 7 . 1 1 19 19 THR H H 19 8.540 8.540 8.363 0.177 25924 2507 1 7 . 1 1 20 20 GLU N N 20 124.039 124.039 127.172 -3.133 25924 2508 1 7 . 1 1 20 20 GLU HA H 20 4.075 4.075 4.144 -0.069 25924 2509 1 7 . 1 1 20 20 GLU C C 20 174.446 174.446 177.334 -2.888 25924 2510 1 7 . 1 1 20 20 GLU CA C 20 54.949 54.949 58.048 -3.099 25924 2511 1 7 . 1 1 20 20 GLU CB C 20 26.872 26.872 29.862 -2.990 25924 2512 1 7 . 1 1 20 20 GLU H H 20 8.586 8.586 8.836 -0.250 25924 2513 1 7 . 1 1 21 21 GLY N N 21 111.169 111.169 112.578 -1.409 25924 2514 1 7 . 1 1 21 21 GLY C C 21 171.105 171.105 174.351 -3.246 25924 2515 1 7 . 1 1 21 21 GLY CA C 21 42.662 42.662 44.786 -2.124 25924 2516 1 7 . 1 1 21 21 GLY H H 21 8.552 8.552 8.780 -0.228 25924 2517 1 7 . 1 1 22 22 LYS N N 22 119.376 119.376 121.471 -2.095 25924 2518 1 7 . 1 1 22 22 LYS HA H 22 4.453 4.453 4.444 0.009 25924 2519 1 7 . 1 1 22 22 LYS C C 22 173.525 173.525 176.650 -3.125 25924 2520 1 7 . 1 1 22 22 LYS CA C 22 52.416 52.416 56.006 -3.590 25924 2521 1 7 . 1 1 22 22 LYS CB C 22 31.336 31.336 33.675 -2.340 25924 2522 1 7 . 1 1 22 22 LYS H H 22 7.798 7.798 7.713 0.085 25924 2523 1 7 . 1 1 23 23 GLU N N 23 122.631 122.631 123.215 -0.584 25924 2524 1 7 . 1 1 23 23 GLU C C 23 172.069 172.069 175.562 -3.493 25924 2525 1 7 . 1 1 23 23 GLU CA C 23 51.739 51.739 55.331 -3.592 25924 2526 1 7 . 1 1 23 23 GLU CB C 23 26.486 26.486 29.315 -2.829 25924 2527 1 7 . 1 1 24 24 PRO HA H 24 4.402 4.402 4.305 0.097 25924 2528 1 7 . 1 1 24 24 PRO C C 24 173.547 173.547 176.152 -2.605 25924 2529 1 7 . 1 1 24 24 PRO CA C 24 60.521 60.521 62.934 -2.413 25924 2530 1 7 . 1 1 24 24 PRO CB C 24 29.522 29.522 32.289 -2.767 25924 2531 1 7 . 1 1 25 25 ASP N N 25 121.674 121.674 116.983 4.691 25924 2532 1 7 . 1 1 25 25 ASP HA H 25 4.657 4.657 4.371 0.286 25924 2533 1 7 . 1 1 25 25 ASP C C 25 171.891 171.891 175.182 -3.291 25924 2534 1 7 . 1 1 25 25 ASP CA C 25 53.718 53.718 55.263 -1.545 25924 2535 1 7 . 1 1 25 25 ASP CB C 25 40.677 40.677 40.687 -0.010 25924 2536 1 7 . 1 1 25 25 ASP H H 25 8.232 8.232 8.629 -0.397 25924 2537 1 7 . 1 1 26 26 ILE N N 26 116.402 116.402 115.172 1.230 25924 2538 1 7 . 1 1 26 26 ILE C C 26 171.291 171.291 173.287 -1.996 25924 2539 1 7 . 1 1 26 26 ILE CA C 26 55.315 55.315 57.529 -2.214 25924 2540 1 7 . 1 1 26 26 ILE CB C 26 37.365 37.365 39.261 -1.896 25924 2541 1 7 . 1 1 26 26 ILE H H 26 8.108 8.108 8.109 -0.001 25924 2542 1 7 . 1 1 27 27 PRO HA H 27 4.723 4.723 3.631 1.092 25924 2543 1 7 . 1 1 27 27 PRO C C 27 172.234 172.234 175.129 -2.895 25924 2544 1 7 . 1 1 27 27 PRO CA C 27 60.676 60.676 62.123 -1.447 25924 2545 1 7 . 1 1 27 27 PRO CB C 27 29.510 29.510 31.913 -2.403 25924 2546 1 7 . 1 1 28 28 LEU N N 28 124.504 124.504 122.877 1.627 25924 2547 1 7 . 1 1 28 28 LEU HA H 28 4.712 4.712 4.614 0.098 25924 2548 1 7 . 1 1 28 28 LEU C C 28 172.463 172.463 175.020 -2.557 25924 2549 1 7 . 1 1 28 28 LEU CA C 28 50.999 50.999 53.490 -2.491 25924 2550 1 7 . 1 1 28 28 LEU CB C 28 42.433 42.433 46.246 -3.813 25924 2551 1 7 . 1 1 28 28 LEU H H 28 8.477 8.477 7.356 1.121 25924 2552 1 7 . 1 1 29 29 TYR N N 29 123.137 123.137 122.348 0.789 25924 2553 1 7 . 1 1 29 29 TYR HA H 29 5.285 5.285 4.719 0.566 25924 2554 1 7 . 1 1 29 29 TYR C C 29 173.614 173.614 175.044 -1.430 25924 2555 1 7 . 1 1 29 29 TYR CA C 29 54.959 54.959 56.968 -2.009 25924 2556 1 7 . 1 1 29 29 TYR CB C 29 37.328 37.328 38.353 -1.025 25924 2557 1 7 . 1 1 29 29 TYR H H 29 8.907 8.907 8.011 0.896 25924 2558 1 7 . 1 1 30 30 LYS N N 30 122.426 122.426 123.556 -1.130 25924 2559 1 7 . 1 1 30 30 LYS C C 30 172.500 172.500 174.967 -2.467 25924 2560 1 7 . 1 1 30 30 LYS CA C 30 52.399 52.399 54.618 -2.219 25924 2561 1 7 . 1 1 30 30 LYS CB C 30 34.086 34.086 35.015 -0.929 25924 2562 1 7 . 1 1 30 30 LYS H H 30 9.344 9.344 8.383 0.961 25924 2563 1 7 . 1 1 31 31 THR HA H 31 4.510 4.510 5.098 -0.588 25924 2564 1 7 . 1 1 31 31 THR CA C 31 60.787 60.787 61.797 -1.010 25924 2565 1 7 . 1 1 32 32 LEU N N 32 129.198 129.198 126.019 3.179 25924 2566 1 7 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.517 -0.077 25924 2567 1 7 . 1 1 32 32 LEU C C 32 174.368 174.368 176.688 -2.320 25924 2568 1 7 . 1 1 32 32 LEU CA C 32 52.683 52.683 56.004 -3.321 25924 2569 1 7 . 1 1 32 32 LEU CB C 32 40.207 40.207 43.255 -3.048 25924 2570 1 7 . 1 1 32 32 LEU H H 32 9.019 9.019 8.803 0.216 25924 2571 1 7 . 1 1 33 33 GLN N N 33 115.992 115.992 115.959 0.033 25924 2572 1 7 . 1 1 33 33 GLN C C 33 171.615 171.615 174.230 -2.615 25924 2573 1 7 . 1 1 33 33 GLN CA C 33 53.264 53.264 55.139 -1.875 25924 2574 1 7 . 1 1 33 33 GLN CB C 33 28.844 28.844 32.045 -3.201 25924 2575 1 7 . 1 1 33 33 GLN H H 33 7.689 7.689 7.944 -0.255 25924 2576 1 7 . 1 1 34 34 THR N N 34 119.608 119.608 115.506 4.102 25924 2577 1 7 . 1 1 34 34 THR HA H 34 4.489 4.489 4.782 -0.293 25924 2578 1 7 . 1 1 34 34 THR C C 34 170.622 170.622 173.819 -3.197 25924 2579 1 7 . 1 1 34 34 THR CA C 34 59.144 59.144 60.489 -1.345 25924 2580 1 7 . 1 1 34 34 THR CB C 34 67.805 67.805 69.994 -2.189 25924 2581 1 7 . 1 1 34 34 THR H H 34 8.345 8.345 8.379 -0.034 25924 2582 1 7 . 1 1 35 35 VAL N N 35 120.795 120.795 120.992 -0.197 25924 2583 1 7 . 1 1 35 35 VAL HA H 35 4.492 4.492 4.406 0.086 25924 2584 1 7 . 1 1 35 35 VAL C C 35 172.242 172.242 174.489 -2.247 25924 2585 1 7 . 1 1 35 35 VAL CA C 35 57.697 57.697 60.656 -2.959 25924 2586 1 7 . 1 1 35 35 VAL CB C 35 32.804 32.804 36.103 -3.299 25924 2587 1 7 . 1 1 35 35 VAL H H 35 8.134 8.134 8.775 -0.641 25924 2588 1 7 . 1 1 36 36 GLY N N 36 110.608 110.608 110.210 0.398 25924 2589 1 7 . 1 1 36 36 GLY C C 36 169.453 169.453 173.271 -3.818 25924 2590 1 7 . 1 1 36 36 GLY CA C 36 41.094 41.094 43.649 -2.555 25924 2591 1 7 . 1 1 36 36 GLY H H 36 8.229 8.229 8.537 -0.308 25924 2592 1 7 . 1 1 39 39 HIS HA H 39 4.631 4.631 4.394 0.237 25924 2593 1 7 . 1 1 39 39 HIS C C 39 172.140 172.140 175.738 -3.598 25924 2594 1 7 . 1 1 39 39 HIS CA C 39 53.584 53.584 58.105 -4.521 25924 2595 1 7 . 1 1 39 39 HIS CB C 39 27.736 27.736 30.120 -2.384 25924 2596 1 7 . 1 1 40 40 ALA N N 40 128.155 128.155 122.099 6.056 25924 2597 1 7 . 1 1 40 40 ALA HA H 40 4.422 4.422 4.532 -0.110 25924 2598 1 7 . 1 1 40 40 ALA C C 40 171.693 171.693 176.541 -4.848 25924 2599 1 7 . 1 1 40 40 ALA CA C 40 48.979 48.979 51.516 -2.537 25924 2600 1 7 . 1 1 40 40 ALA CB C 40 15.335 15.335 20.416 -5.081 25924 2601 1 7 . 1 1 40 40 ALA H H 40 7.582 7.582 7.810 -0.228 25924 2602 1 7 . 1 1 41 41 ARG N N 41 122.997 122.997 120.177 2.820 25924 2603 1 7 . 1 1 41 41 ARG HA H 41 4.467 4.467 4.396 0.071 25924 2604 1 7 . 1 1 41 41 ARG C C 41 174.236 174.236 176.457 -2.221 25924 2605 1 7 . 1 1 41 41 ARG CA C 41 52.715 52.715 56.177 -3.462 25924 2606 1 7 . 1 1 41 41 ARG CB C 41 29.506 29.506 31.249 -1.743 25924 2607 1 7 . 1 1 41 41 ARG H H 41 8.090 8.090 8.538 -0.448 25924 2608 1 7 . 1 1 42 42 THR N N 42 116.202 116.202 111.921 4.281 25924 2609 1 7 . 1 1 42 42 THR HA H 42 4.448 4.448 5.074 -0.626 25924 2610 1 7 . 1 1 42 42 THR C C 42 171.192 171.192 173.043 -1.851 25924 2611 1 7 . 1 1 42 42 THR CA C 42 59.750 59.750 60.225 -0.475 25924 2612 1 7 . 1 1 42 42 THR CB C 42 67.917 67.917 71.776 -3.859 25924 2613 1 7 . 1 1 42 42 THR H H 42 8.572 8.572 8.751 -0.179 25924 2614 1 7 . 1 1 43 43 TYR N N 43 127.687 127.687 120.712 6.975 25924 2615 1 7 . 1 1 43 43 TYR HA H 43 4.719 4.719 4.959 -0.240 25924 2616 1 7 . 1 1 43 43 TYR C C 43 172.160 172.160 174.880 -2.720 25924 2617 1 7 . 1 1 43 43 TYR CA C 43 54.921 54.921 56.796 -1.875 25924 2618 1 7 . 1 1 43 43 TYR CB C 43 38.220 38.220 42.414 -4.194 25924 2619 1 7 . 1 1 43 43 TYR H H 43 9.255 9.255 9.082 0.173 25924 2620 1 7 . 1 1 44 44 THR N N 44 117.178 117.178 117.313 -0.135 25924 2621 1 7 . 1 1 44 44 THR HA H 44 5.162 5.162 5.124 0.038 25924 2622 1 7 . 1 1 44 44 THR C C 44 171.330 171.330 173.299 -1.969 25924 2623 1 7 . 1 1 44 44 THR CA C 44 59.299 59.299 60.237 -0.938 25924 2624 1 7 . 1 1 44 44 THR CB C 44 67.619 67.619 70.118 -2.499 25924 2625 1 7 . 1 1 44 44 THR H H 44 8.699 8.699 8.308 0.391 25924 2626 1 7 . 1 1 45 45 VAL N N 45 128.199 128.199 121.368 6.831 25924 2627 1 7 . 1 1 45 45 VAL HA H 45 4.177 4.177 5.324 -1.147 25924 2628 1 7 . 1 1 45 45 VAL C C 45 169.635 169.635 173.275 -3.640 25924 2629 1 7 . 1 1 45 45 VAL CA C 45 57.558 57.558 59.021 -1.463 25924 2630 1 7 . 1 1 45 45 VAL CB C 45 32.829 32.829 35.674 -2.845 25924 2631 1 7 . 1 1 45 45 VAL H H 45 9.331 9.331 9.042 0.289 25924 2632 1 7 . 1 1 46 46 ALA N N 46 126.929 126.929 124.471 2.458 25924 2633 1 7 . 1 1 46 46 ALA HA H 46 5.260 5.260 5.118 0.142 25924 2634 1 7 . 1 1 46 46 ALA C C 46 171.973 171.973 176.070 -4.097 25924 2635 1 7 . 1 1 46 46 ALA CA C 46 46.865 46.865 51.209 -4.344 25924 2636 1 7 . 1 1 46 46 ALA CB C 46 21.198 21.198 22.091 -0.893 25924 2637 1 7 . 1 1 46 46 ALA H H 46 8.961 8.961 8.130 0.831 25924 2638 1 7 . 1 1 47 47 VAL N N 47 118.914 118.914 124.588 -5.674 25924 2639 1 7 . 1 1 47 47 VAL HA H 47 4.961 4.961 4.250 0.711 25924 2640 1 7 . 1 1 47 47 VAL C C 47 170.285 170.285 175.118 -4.833 25924 2641 1 7 . 1 1 47 47 VAL CA C 47 55.384 55.384 61.944 -6.560 25924 2642 1 7 . 1 1 47 47 VAL CB C 47 32.098 32.098 33.137 -1.039 25924 2643 1 7 . 1 1 47 47 VAL H H 47 8.248 8.248 8.341 -0.093 25924 2644 1 7 . 1 1 48 48 TYR N N 48 126.815 126.815 124.109 2.706 25924 2645 1 7 . 1 1 48 48 TYR HA H 48 5.217 5.217 5.068 0.149 25924 2646 1 7 . 1 1 48 48 TYR C C 48 172.504 172.504 173.450 -0.946 25924 2647 1 7 . 1 1 48 48 TYR CA C 48 53.610 53.610 55.092 -1.482 25924 2648 1 7 . 1 1 48 48 TYR CB C 48 40.339 40.339 39.019 1.320 25924 2649 1 7 . 1 1 48 48 TYR H H 48 9.274 9.274 8.072 1.202 25924 2650 1 7 . 1 1 49 49 PHE N N 49 119.234 119.234 125.203 -5.969 25924 2651 1 7 . 1 1 49 49 PHE HA H 49 4.766 4.766 4.698 0.068 25924 2652 1 7 . 1 1 49 49 PHE C C 49 172.390 172.390 175.521 -3.131 25924 2653 1 7 . 1 1 49 49 PHE CA C 49 54.128 54.128 56.679 -2.551 25924 2654 1 7 . 1 1 49 49 PHE CB C 49 40.240 40.240 42.275 -2.034 25924 2655 1 7 . 1 1 49 49 PHE H H 49 9.024 9.024 9.129 -0.105 25924 2656 1 7 . 1 1 50 50 LYS N N 50 128.064 128.064 123.590 4.474 25924 2657 1 7 . 1 1 50 50 LYS HA H 50 3.502 3.502 3.951 -0.449 25924 2658 1 7 . 1 1 50 50 LYS C C 50 173.659 173.659 176.021 -2.362 25924 2659 1 7 . 1 1 50 50 LYS CA C 50 54.906 54.906 57.401 -2.495 25924 2660 1 7 . 1 1 50 50 LYS CB C 50 26.726 26.726 29.979 -3.253 25924 2661 1 7 . 1 1 50 50 LYS H H 50 9.035 9.035 8.969 0.066 25924 2662 1 7 . 1 1 51 51 GLY N N 51 104.286 104.286 104.670 -0.384 25924 2663 1 7 . 1 1 51 51 GLY C C 51 170.970 170.970 173.818 -2.848 25924 2664 1 7 . 1 1 51 51 GLY CA C 51 42.553 42.553 44.984 -2.431 25924 2665 1 7 . 1 1 51 51 GLY H H 51 8.893 8.893 8.452 0.441 25924 2666 1 7 . 1 1 52 52 GLU N N 52 121.087 121.087 120.195 0.892 25924 2667 1 7 . 1 1 52 52 GLU HA H 52 4.617 4.617 4.651 -0.034 25924 2668 1 7 . 1 1 52 52 GLU C C 52 172.477 172.477 175.237 -2.760 25924 2669 1 7 . 1 1 52 52 GLU CA C 52 51.709 51.709 54.620 -2.911 25924 2670 1 7 . 1 1 52 52 GLU CB C 52 29.248 29.248 32.642 -3.394 25924 2671 1 7 . 1 1 52 52 GLU H H 52 7.710 7.710 8.555 -0.845 25924 2672 1 7 . 1 1 53 53 ARG N N 53 126.720 126.720 128.073 -1.353 25924 2673 1 7 . 1 1 53 53 ARG C C 53 173.977 173.977 176.570 -2.593 25924 2674 1 7 . 1 1 53 53 ARG CA C 53 54.250 54.250 56.958 -2.708 25924 2675 1 7 . 1 1 53 53 ARG CB C 53 27.373 27.373 30.472 -3.099 25924 2676 1 7 . 1 1 53 53 ARG H H 53 8.919 8.919 9.003 -0.084 25924 2677 1 7 . 1 1 54 54 ILE N N 54 122.215 122.215 119.430 2.785 25924 2678 1 7 . 1 1 54 54 ILE HA H 54 4.549 4.549 4.597 -0.048 25924 2679 1 7 . 1 1 54 54 ILE C C 54 172.161 172.161 173.968 -1.807 25924 2680 1 7 . 1 1 54 54 ILE CA C 54 58.807 58.807 60.094 -1.287 25924 2681 1 7 . 1 1 54 54 ILE CB C 54 37.207 37.207 38.953 -1.746 25924 2682 1 7 . 1 1 54 54 ILE H H 54 8.920 8.920 8.183 0.737 25924 2683 1 7 . 1 1 55 55 GLY N N 55 107.034 107.034 108.484 -1.450 25924 2684 1 7 . 1 1 55 55 GLY C C 55 169.649 169.649 172.385 -2.736 25924 2685 1 7 . 1 1 55 55 GLY CA C 55 42.712 42.712 45.656 -2.944 25924 2686 1 7 . 1 1 55 55 GLY H H 55 7.233 7.233 7.722 -0.489 25924 2687 1 7 . 1 1 56 56 CYS N N 56 121.361 121.361 119.830 1.531 25924 2688 1 7 . 1 1 56 56 CYS HA H 56 5.264 5.264 5.602 -0.338 25924 2689 1 7 . 1 1 56 56 CYS C C 56 169.550 169.550 173.979 -4.429 25924 2690 1 7 . 1 1 56 56 CYS CA C 56 53.638 53.638 56.711 -3.073 25924 2691 1 7 . 1 1 56 56 CYS CB C 56 40.291 40.291 30.884 9.407 25924 2692 1 7 . 1 1 56 56 CYS H H 56 9.739 9.739 8.478 1.261 25924 2693 1 7 . 1 1 57 57 GLY N N 57 113.662 113.662 110.560 3.102 25924 2694 1 7 . 1 1 57 57 GLY C C 57 168.036 168.036 171.442 -3.406 25924 2695 1 7 . 1 1 57 57 GLY CA C 57 41.978 41.978 45.379 -3.401 25924 2696 1 7 . 1 1 57 57 GLY H H 57 9.408 9.408 8.824 0.584 25924 2697 1 7 . 1 1 58 58 LYS N N 58 117.565 117.565 118.128 -0.563 25924 2698 1 7 . 1 1 58 58 LYS HA H 58 5.981 5.981 5.420 0.561 25924 2699 1 7 . 1 1 58 58 LYS C C 58 174.185 174.185 175.197 -1.012 25924 2700 1 7 . 1 1 58 58 LYS CA C 58 51.418 51.418 54.821 -3.402 25924 2701 1 7 . 1 1 58 58 LYS CB C 58 34.533 34.533 36.402 -1.869 25924 2702 1 7 . 1 1 58 58 LYS H H 58 8.427 8.427 8.377 0.050 25924 2703 1 7 . 1 1 59 59 GLY N N 59 106.060 106.060 107.382 -1.322 25924 2704 1 7 . 1 1 59 59 GLY C C 59 168.361 168.361 172.315 -3.954 25924 2705 1 7 . 1 1 59 59 GLY CA C 59 43.281 43.281 45.743 -2.462 25924 2706 1 7 . 1 1 59 59 GLY H H 59 8.534 8.534 8.148 0.386 25924 2707 1 7 . 1 1 60 60 PRO HA H 60 5.242 5.242 4.806 0.436 25924 2708 1 7 . 1 1 60 60 PRO C C 60 172.019 172.019 176.392 -4.373 25924 2709 1 7 . 1 1 60 60 PRO CA C 60 61.161 61.161 63.636 -2.475 25924 2710 1 7 . 1 1 60 60 PRO CB C 60 29.185 29.185 32.361 -3.176 25924 2711 1 7 . 1 1 61 61 SER N N 61 110.749 110.749 112.639 -1.890 25924 2712 1 7 . 1 1 61 61 SER C C 61 170.857 170.857 174.226 -3.369 25924 2713 1 7 . 1 1 61 61 SER CA C 61 53.387 53.387 57.037 -3.650 25924 2714 1 7 . 1 1 61 61 SER CB C 61 63.795 63.795 66.384 -2.589 25924 2715 1 7 . 1 1 61 61 SER H H 61 7.289 7.289 7.483 -0.194 25924 2716 1 7 . 1 1 62 62 LYS HA H 62 3.155 3.155 4.023 -0.868 25924 2717 1 7 . 1 1 62 62 LYS C C 62 175.308 175.308 178.087 -2.779 25924 2718 1 7 . 1 1 62 62 LYS CA C 62 57.915 57.915 59.106 -1.191 25924 2719 1 7 . 1 1 62 62 LYS CB C 62 28.989 28.989 32.304 -3.315 25924 2720 1 7 . 1 1 63 63 LYS N N 63 118.188 118.188 120.356 -2.168 25924 2721 1 7 . 1 1 63 63 LYS HA H 63 3.709 3.709 3.942 -0.233 25924 2722 1 7 . 1 1 63 63 LYS C C 63 175.856 175.856 178.630 -2.774 25924 2723 1 7 . 1 1 63 63 LYS CA C 63 57.097 57.097 59.682 -2.585 25924 2724 1 7 . 1 1 63 63 LYS CB C 63 29.746 29.746 31.806 -2.060 25924 2725 1 7 . 1 1 63 63 LYS H H 63 8.246 8.246 8.265 -0.019 25924 2726 1 7 . 1 1 64 64 GLN N N 64 116.733 116.733 118.487 -1.754 25924 2727 1 7 . 1 1 64 64 GLN HA H 64 3.927 3.927 4.122 -0.195 25924 2728 1 7 . 1 1 64 64 GLN C C 64 176.277 176.277 178.179 -1.902 25924 2729 1 7 . 1 1 64 64 GLN CA C 64 56.240 56.240 58.652 -2.412 25924 2730 1 7 . 1 1 64 64 GLN CB C 64 26.506 26.506 28.343 -1.837 25924 2731 1 7 . 1 1 64 64 GLN H H 64 7.701 7.701 7.800 -0.099 25924 2732 1 7 . 1 1 65 65 ALA N N 65 123.381 123.381 121.876 1.505 25924 2733 1 7 . 1 1 65 65 ALA HA H 65 3.726 3.726 4.099 -0.373 25924 2734 1 7 . 1 1 65 65 ALA C C 65 175.750 175.750 179.547 -3.797 25924 2735 1 7 . 1 1 65 65 ALA CA C 65 53.009 53.009 54.937 -1.928 25924 2736 1 7 . 1 1 65 65 ALA CB C 65 16.089 16.089 18.394 -2.305 25924 2737 1 7 . 1 1 65 65 ALA H H 65 7.933 7.933 7.835 0.098 25924 2738 1 7 . 1 1 66 66 LYS N N 66 118.715 118.715 120.236 -1.521 25924 2739 1 7 . 1 1 66 66 LYS HA H 66 3.626 3.626 3.945 -0.319 25924 2740 1 7 . 1 1 66 66 LYS C C 66 175.275 175.275 178.978 -3.703 25924 2741 1 7 . 1 1 66 66 LYS CA C 66 57.658 57.658 59.806 -2.148 25924 2742 1 7 . 1 1 66 66 LYS CB C 66 30.268 30.268 32.413 -2.145 25924 2743 1 7 . 1 1 66 66 LYS H H 66 8.353 8.353 8.206 0.147 25924 2744 1 7 . 1 1 67 67 MET N N 67 117.211 117.211 117.233 -0.022 25924 2745 1 7 . 1 1 67 67 MET HA H 67 3.821 3.821 4.171 -0.350 25924 2746 1 7 . 1 1 67 67 MET C C 67 175.660 175.660 178.675 -3.015 25924 2747 1 7 . 1 1 67 67 MET CA C 67 56.845 56.845 58.587 -1.742 25924 2748 1 7 . 1 1 67 67 MET CB C 67 29.950 29.950 31.698 -1.748 25924 2749 1 7 . 1 1 67 67 MET H H 67 8.011 8.011 7.908 0.103 25924 2750 1 7 . 1 1 68 68 GLY N N 68 105.985 105.985 107.754 -1.769 25924 2751 1 7 . 1 1 68 68 GLY C C 68 173.545 173.545 175.610 -2.065 25924 2752 1 7 . 1 1 68 68 GLY CA C 68 44.643 44.643 46.382 -1.739 25924 2753 1 7 . 1 1 68 68 GLY H H 68 8.094 8.094 7.849 0.245 25924 2754 1 7 . 1 1 69 69 ALA N N 69 127.579 127.579 125.122 2.457 25924 2755 1 7 . 1 1 69 69 ALA HA H 69 3.841 3.841 4.095 -0.254 25924 2756 1 7 . 1 1 69 69 ALA C C 69 175.840 175.840 179.361 -3.521 25924 2757 1 7 . 1 1 69 69 ALA CA C 69 52.512 52.512 54.754 -2.242 25924 2758 1 7 . 1 1 69 69 ALA CB C 69 15.069 15.069 18.588 -3.519 25924 2759 1 7 . 1 1 69 69 ALA H H 69 8.437 8.437 8.593 -0.156 25924 2760 1 7 . 1 1 70 70 ALA N N 70 119.968 119.968 121.076 -1.108 25924 2761 1 7 . 1 1 70 70 ALA HA H 70 4.003 4.003 4.048 -0.045 25924 2762 1 7 . 1 1 70 70 ALA C C 70 176.847 176.847 179.345 -2.498 25924 2763 1 7 . 1 1 70 70 ALA CA C 70 52.759 52.759 55.087 -2.328 25924 2764 1 7 . 1 1 70 70 ALA CB C 70 15.297 15.297 18.209 -2.912 25924 2765 1 7 . 1 1 70 70 ALA H H 70 8.219 8.219 8.773 -0.554 25924 2766 1 7 . 1 1 71 71 MET N N 71 115.754 115.754 118.448 -2.694 25924 2767 1 7 . 1 1 71 71 MET HA H 71 4.010 4.010 4.034 -0.024 25924 2768 1 7 . 1 1 71 71 MET C C 71 175.596 175.596 177.618 -2.022 25924 2769 1 7 . 1 1 71 71 MET CA C 71 56.613 56.613 59.404 -2.791 25924 2770 1 7 . 1 1 71 71 MET CB C 71 30.407 30.407 32.407 -2.000 25924 2771 1 7 . 1 1 71 71 MET H H 71 8.294 8.294 7.966 0.328 25924 2772 1 7 . 1 1 72 72 ASP N N 72 120.287 120.287 120.093 0.194 25924 2773 1 7 . 1 1 72 72 ASP HA H 72 4.389 4.389 4.349 0.040 25924 2774 1 7 . 1 1 72 72 ASP C C 72 175.052 175.052 178.250 -3.198 25924 2775 1 7 . 1 1 72 72 ASP CA C 72 54.995 54.995 57.389 -2.394 25924 2776 1 7 . 1 1 72 72 ASP CB C 72 40.461 40.461 40.695 -0.234 25924 2777 1 7 . 1 1 72 72 ASP H H 72 8.045 8.045 7.854 0.191 25924 2778 1 7 . 1 1 73 73 ALA N N 73 119.640 119.640 122.998 -3.358 25924 2779 1 7 . 1 1 73 73 ALA HA H 73 4.188 4.188 4.372 -0.184 25924 2780 1 7 . 1 1 73 73 ALA C C 73 177.251 177.251 179.937 -2.686 25924 2781 1 7 . 1 1 73 73 ALA CA C 73 52.041 52.041 54.968 -2.927 25924 2782 1 7 . 1 1 73 73 ALA CB C 73 16.473 16.473 18.731 -2.258 25924 2783 1 7 . 1 1 73 73 ALA H H 73 8.028 8.028 7.725 0.303 25924 2784 1 7 . 1 1 74 74 LEU N N 74 117.010 117.010 121.010 -4.000 25924 2785 1 7 . 1 1 74 74 LEU HA H 74 3.992 3.992 4.136 -0.144 25924 2786 1 7 . 1 1 74 74 LEU C C 74 176.643 176.643 178.904 -2.261 25924 2787 1 7 . 1 1 74 74 LEU CA C 74 55.519 55.519 57.708 -2.188 25924 2788 1 7 . 1 1 74 74 LEU CB C 74 39.698 39.698 41.862 -2.164 25924 2789 1 7 . 1 1 74 74 LEU H H 74 8.397 8.397 8.521 -0.124 25924 2790 1 7 . 1 1 75 75 GLU N N 75 117.709 117.709 118.329 -0.620 25924 2791 1 7 . 1 1 75 75 GLU HA H 75 4.109 4.109 4.104 0.005 25924 2792 1 7 . 1 1 75 75 GLU C C 75 175.976 175.976 178.660 -2.684 25924 2793 1 7 . 1 1 75 75 GLU CA C 75 55.916 55.916 58.364 -2.448 25924 2794 1 7 . 1 1 75 75 GLU CB C 75 27.425 27.425 29.776 -2.351 25924 2795 1 7 . 1 1 75 75 GLU H H 75 7.812 7.812 8.305 -0.493 25924 2796 1 7 . 1 1 76 76 LYS N N 76 117.440 117.440 118.544 -1.104 25924 2797 1 7 . 1 1 76 76 LYS HA H 76 4.140 4.140 4.128 0.012 25924 2798 1 7 . 1 1 76 76 LYS C C 76 174.882 174.882 176.830 -1.948 25924 2799 1 7 . 1 1 76 76 LYS CA C 76 55.187 55.187 58.236 -3.050 25924 2800 1 7 . 1 1 76 76 LYS CB C 76 31.270 31.270 33.789 -2.519 25924 2801 1 7 . 1 1 76 76 LYS H H 76 7.892 7.892 7.920 -0.028 25924 2802 1 7 . 1 1 77 77 TYR N N 77 120.225 120.225 117.884 2.341 25924 2803 1 7 . 1 1 77 77 TYR HA H 77 4.044 4.044 4.508 -0.464 25924 2804 1 7 . 1 1 77 77 TYR C C 77 172.041 172.041 173.030 -0.989 25924 2805 1 7 . 1 1 77 77 TYR CA C 77 56.878 56.878 57.424 -0.546 25924 2806 1 7 . 1 1 77 77 TYR CB C 77 35.852 35.852 40.401 -4.550 25924 2807 1 7 . 1 1 77 77 TYR H H 77 8.149 8.149 8.024 0.125 25924 2808 1 7 . 1 1 78 78 ASN N N 78 121.088 121.088 124.072 -2.984 25924 2809 1 7 . 1 1 78 78 ASN HA H 78 4.537 4.537 4.587 -0.050 25924 2810 1 7 . 1 1 78 78 ASN C C 78 171.116 171.116 173.542 -2.426 25924 2811 1 7 . 1 1 78 78 ASN CA C 78 49.866 49.866 51.912 -2.046 25924 2812 1 7 . 1 1 78 78 ASN CB C 78 35.302 35.302 38.301 -2.999 25924 2813 1 7 . 1 1 78 78 ASN H H 78 7.436 7.436 7.865 -0.429 25924 2814 1 7 . 1 1 79 79 PHE N N 79 122.211 122.211 123.001 -0.790 25924 2815 1 7 . 1 1 79 79 PHE C C 79 171.220 171.220 174.443 -3.223 25924 2816 1 7 . 1 1 79 79 PHE CA C 79 54.195 54.195 59.919 -5.724 25924 2817 1 7 . 1 1 79 79 PHE CB C 79 35.969 35.969 37.850 -1.881 25924 2818 1 7 . 1 1 79 79 PHE H H 79 7.901 7.901 8.459 -0.558 25924 2819 1 7 . 1 1 80 80 PRO HA H 80 4.367 4.367 4.475 -0.108 25924 2820 1 7 . 1 1 80 80 PRO C C 80 173.721 173.721 175.941 -2.220 25924 2821 1 7 . 1 1 80 80 PRO CA C 80 60.634 60.634 63.110 -2.476 25924 2822 1 7 . 1 1 80 80 PRO CB C 80 29.356 29.356 32.236 -2.880 25924 2823 1 7 . 1 1 81 81 GLN N N 81 120.432 120.432 120.698 -0.266 25924 2824 1 7 . 1 1 81 81 GLN HA H 81 4.232 4.232 4.170 0.062 25924 2825 1 7 . 1 1 81 81 GLN C C 81 172.475 172.475 176.477 -4.002 25924 2826 1 7 . 1 1 81 81 GLN CA C 81 53.216 53.216 57.669 -4.453 25924 2827 1 7 . 1 1 81 81 GLN CB C 81 26.823 26.823 28.543 -1.720 25924 2828 1 7 . 1 1 81 81 GLN H H 81 8.347 8.347 8.620 -0.273 25924 2829 1 8 . 1 1 6 6 PRO HA H 6 4.233 4.233 4.444 -0.211 25924 2830 1 8 . 1 1 6 6 PRO C C 6 174.849 174.849 178.172 -3.323 25924 2831 1 8 . 1 1 6 6 PRO CA C 6 62.494 62.494 62.562 -0.068 25924 2832 1 8 . 1 1 6 6 PRO CB C 6 30.061 30.061 32.426 -2.365 25924 2833 1 8 . 1 1 7 7 ILE N N 7 118.341 118.341 122.267 -3.926 25924 2834 1 8 . 1 1 7 7 ILE HA H 7 3.556 3.556 3.751 -0.195 25924 2835 1 8 . 1 1 7 7 ILE C C 7 177.294 177.294 177.534 -0.240 25924 2836 1 8 . 1 1 7 7 ILE CA C 7 62.546 62.546 63.051 -0.505 25924 2837 1 8 . 1 1 7 7 ILE CB C 7 34.984 34.984 37.683 -2.699 25924 2838 1 8 . 1 1 7 7 ILE H H 7 7.420 7.420 8.725 -1.305 25924 2839 1 8 . 1 1 8 8 SER N N 8 118.043 118.043 115.296 2.747 25924 2840 1 8 . 1 1 8 8 SER HA H 8 4.140 4.140 3.929 0.211 25924 2841 1 8 . 1 1 8 8 SER C C 8 174.216 174.216 176.447 -2.231 25924 2842 1 8 . 1 1 8 8 SER CA C 8 58.686 58.686 62.068 -3.382 25924 2843 1 8 . 1 1 8 8 SER CB C 8 59.913 59.913 62.600 -2.687 25924 2844 1 8 . 1 1 8 8 SER H H 8 7.867 7.867 8.174 -0.307 25924 2845 1 8 . 1 1 9 9 GLN N N 9 121.528 121.528 121.874 -0.346 25924 2846 1 8 . 1 1 9 9 GLN HA H 9 3.894 3.894 4.082 -0.188 25924 2847 1 8 . 1 1 9 9 GLN C C 9 175.750 175.750 178.109 -2.359 25924 2848 1 8 . 1 1 9 9 GLN CA C 9 56.418 56.418 58.615 -2.197 25924 2849 1 8 . 1 1 9 9 GLN CB C 9 26.763 26.763 28.228 -1.465 25924 2850 1 8 . 1 1 9 9 GLN H H 9 8.384 8.384 7.538 0.846 25924 2851 1 8 . 1 1 10 10 LEU N N 10 120.026 120.026 119.910 0.116 25924 2852 1 8 . 1 1 10 10 LEU HA H 10 3.903 3.903 3.943 -0.040 25924 2853 1 8 . 1 1 10 10 LEU C C 10 174.336 174.336 179.049 -4.713 25924 2854 1 8 . 1 1 10 10 LEU CA C 10 55.816 55.816 57.849 -2.033 25924 2855 1 8 . 1 1 10 10 LEU CB C 10 38.168 38.168 41.607 -3.439 25924 2856 1 8 . 1 1 10 10 LEU H H 10 8.357 8.357 8.043 0.314 25924 2857 1 8 . 1 1 11 11 GLN N N 11 116.550 116.550 118.314 -1.764 25924 2858 1 8 . 1 1 11 11 GLN HA H 11 3.591 3.591 3.781 -0.190 25924 2859 1 8 . 1 1 11 11 GLN C C 11 175.196 175.196 177.835 -2.639 25924 2860 1 8 . 1 1 11 11 GLN CA C 11 57.729 57.729 58.649 -0.920 25924 2861 1 8 . 1 1 11 11 GLN CB C 11 20.954 20.954 28.211 -7.257 25924 2862 1 8 . 1 1 11 11 GLN H H 11 7.445 7.445 8.668 -1.223 25924 2863 1 8 . 1 1 12 12 GLN N N 12 116.948 116.948 120.417 -3.469 25924 2864 1 8 . 1 1 12 12 GLN HA H 12 3.940 3.940 4.050 -0.110 25924 2865 1 8 . 1 1 12 12 GLN C C 12 176.463 176.463 178.440 -1.977 25924 2866 1 8 . 1 1 12 12 GLN CA C 12 56.111 56.111 59.114 -3.003 25924 2867 1 8 . 1 1 12 12 GLN CB C 12 25.406 25.406 28.517 -3.111 25924 2868 1 8 . 1 1 12 12 GLN H H 12 8.159 8.159 8.298 -0.139 25924 2869 1 8 . 1 1 13 13 CYS N N 13 119.104 119.104 118.179 0.925 25924 2870 1 8 . 1 1 13 13 CYS HA H 13 4.246 4.246 4.137 0.109 25924 2871 1 8 . 1 1 13 13 CYS C C 13 174.884 174.884 177.713 -2.829 25924 2872 1 8 . 1 1 13 13 CYS CA C 13 55.688 55.688 63.786 -8.098 25924 2873 1 8 . 1 1 13 13 CYS CB C 13 36.819 36.819 27.418 9.401 25924 2874 1 8 . 1 1 13 13 CYS H H 13 8.255 8.255 7.852 0.403 25924 2875 1 8 . 1 1 14 14 CYS N N 14 119.738 119.738 119.505 0.233 25924 2876 1 8 . 1 1 14 14 CYS HA H 14 3.872 3.872 4.089 -0.217 25924 2877 1 8 . 1 1 14 14 CYS C C 14 174.825 174.825 175.977 -1.152 25924 2878 1 8 . 1 1 14 14 CYS CA C 14 59.649 59.649 62.193 -2.544 25924 2879 1 8 . 1 1 14 14 CYS CB C 14 30.799 30.799 26.621 4.178 25924 2880 1 8 . 1 1 14 14 CYS H H 14 8.472 8.472 7.619 0.853 25924 2881 1 8 . 1 1 15 15 LEU N N 15 120.206 120.206 117.991 2.215 25924 2882 1 8 . 1 1 15 15 LEU HA H 15 4.164 4.164 3.944 0.220 25924 2883 1 8 . 1 1 15 15 LEU C C 15 176.334 176.334 178.516 -2.182 25924 2884 1 8 . 1 1 15 15 LEU CA C 15 55.008 55.008 57.470 -2.462 25924 2885 1 8 . 1 1 15 15 LEU CB C 15 39.276 39.276 42.544 -3.268 25924 2886 1 8 . 1 1 15 15 LEU H H 15 7.875 7.875 8.013 -0.138 25924 2887 1 8 . 1 1 16 16 THR N N 16 111.015 111.015 109.496 1.519 25924 2888 1 8 . 1 1 16 16 THR HA H 16 4.188 4.188 4.296 -0.108 25924 2889 1 8 . 1 1 16 16 THR C C 16 172.543 172.543 175.149 -2.606 25924 2890 1 8 . 1 1 16 16 THR CA C 16 61.556 61.556 63.419 -1.863 25924 2891 1 8 . 1 1 16 16 THR CB C 16 67.074 67.074 69.793 -2.719 25924 2892 1 8 . 1 1 16 16 THR H H 16 7.636 7.636 7.733 -0.097 25924 2893 1 8 . 1 1 17 17 LEU N N 17 121.097 121.097 121.065 0.032 25924 2894 1 8 . 1 1 17 17 LEU HA H 17 4.366 4.366 3.923 0.443 25924 2895 1 8 . 1 1 17 17 LEU C C 17 174.215 174.215 175.074 -0.859 25924 2896 1 8 . 1 1 17 17 LEU CA C 17 52.269 52.269 55.030 -2.761 25924 2897 1 8 . 1 1 17 17 LEU CB C 17 39.018 39.018 41.469 -2.451 25924 2898 1 8 . 1 1 17 17 LEU H H 17 7.364 7.364 7.401 -0.037 25924 2899 1 8 . 1 1 18 18 ARG N N 18 120.709 120.709 122.711 -2.002 25924 2900 1 8 . 1 1 18 18 ARG HA H 18 4.371 4.371 4.264 0.107 25924 2901 1 8 . 1 1 18 18 ARG C C 18 173.362 173.362 175.535 -2.173 25924 2902 1 8 . 1 1 18 18 ARG CA C 18 53.709 53.709 56.871 -3.162 25924 2903 1 8 . 1 1 18 18 ARG CB C 18 28.038 28.038 29.994 -1.956 25924 2904 1 8 . 1 1 18 18 ARG H H 18 7.555 7.555 8.371 -0.816 25924 2905 1 8 . 1 1 19 19 THR N N 19 118.668 118.668 120.024 -1.356 25924 2906 1 8 . 1 1 19 19 THR HA H 19 4.387 4.387 4.544 -0.157 25924 2907 1 8 . 1 1 19 19 THR C C 19 171.580 171.580 173.616 -2.036 25924 2908 1 8 . 1 1 19 19 THR CA C 19 58.936 58.936 61.666 -2.730 25924 2909 1 8 . 1 1 19 19 THR CB C 19 67.672 67.672 71.359 -3.687 25924 2910 1 8 . 1 1 19 19 THR H H 19 8.540 8.540 8.117 0.423 25924 2911 1 8 . 1 1 20 20 GLU N N 20 124.039 124.039 126.342 -2.303 25924 2912 1 8 . 1 1 20 20 GLU HA H 20 4.075 4.075 4.177 -0.102 25924 2913 1 8 . 1 1 20 20 GLU C C 20 174.446 174.446 177.451 -3.005 25924 2914 1 8 . 1 1 20 20 GLU CA C 20 54.949 54.949 58.207 -3.258 25924 2915 1 8 . 1 1 20 20 GLU CB C 20 26.872 26.872 29.797 -2.925 25924 2916 1 8 . 1 1 20 20 GLU H H 20 8.586 8.586 8.737 -0.151 25924 2917 1 8 . 1 1 21 21 GLY N N 21 111.169 111.169 111.212 -0.043 25924 2918 1 8 . 1 1 21 21 GLY C C 21 171.105 171.105 173.854 -2.749 25924 2919 1 8 . 1 1 21 21 GLY CA C 21 42.662 42.662 44.999 -2.337 25924 2920 1 8 . 1 1 21 21 GLY H H 21 8.552 8.552 8.809 -0.257 25924 2921 1 8 . 1 1 22 22 LYS N N 22 119.376 119.376 121.449 -2.073 25924 2922 1 8 . 1 1 22 22 LYS HA H 22 4.453 4.453 4.576 -0.123 25924 2923 1 8 . 1 1 22 22 LYS C C 22 173.525 173.525 174.836 -1.311 25924 2924 1 8 . 1 1 22 22 LYS CA C 22 52.416 52.416 55.694 -3.278 25924 2925 1 8 . 1 1 22 22 LYS CB C 22 31.336 31.336 34.518 -3.182 25924 2926 1 8 . 1 1 22 22 LYS H H 22 7.798 7.798 7.661 0.137 25924 2927 1 8 . 1 1 23 23 GLU N N 23 122.631 122.631 126.163 -3.532 25924 2928 1 8 . 1 1 23 23 GLU C C 23 172.069 172.069 175.382 -3.313 25924 2929 1 8 . 1 1 23 23 GLU CA C 23 51.739 51.739 54.783 -3.044 25924 2930 1 8 . 1 1 23 23 GLU CB C 23 26.486 26.486 29.282 -2.796 25924 2931 1 8 . 1 1 24 24 PRO HA H 24 4.402 4.402 4.529 -0.127 25924 2932 1 8 . 1 1 24 24 PRO C C 24 173.547 173.547 176.206 -2.659 25924 2933 1 8 . 1 1 24 24 PRO CA C 24 60.521 60.521 62.626 -2.105 25924 2934 1 8 . 1 1 24 24 PRO CB C 24 29.522 29.522 32.569 -3.046 25924 2935 1 8 . 1 1 25 25 ASP N N 25 121.674 121.674 121.452 0.222 25924 2936 1 8 . 1 1 25 25 ASP HA H 25 4.657 4.657 4.569 0.088 25924 2937 1 8 . 1 1 25 25 ASP C C 25 171.891 171.891 175.890 -3.999 25924 2938 1 8 . 1 1 25 25 ASP CA C 25 53.718 53.718 53.308 0.410 25924 2939 1 8 . 1 1 25 25 ASP CB C 25 40.677 40.677 41.442 -0.765 25924 2940 1 8 . 1 1 25 25 ASP H H 25 8.232 8.232 8.118 0.114 25924 2941 1 8 . 1 1 26 26 ILE N N 26 116.402 116.402 112.980 3.422 25924 2942 1 8 . 1 1 26 26 ILE C C 26 171.291 171.291 174.022 -2.731 25924 2943 1 8 . 1 1 26 26 ILE CA C 26 55.315 55.315 58.573 -3.258 25924 2944 1 8 . 1 1 26 26 ILE CB C 26 37.365 37.365 38.348 -0.983 25924 2945 1 8 . 1 1 26 26 ILE H H 26 8.108 8.108 8.079 0.029 25924 2946 1 8 . 1 1 27 27 PRO HA H 27 4.723 4.723 4.528 0.195 25924 2947 1 8 . 1 1 27 27 PRO C C 27 172.234 172.234 175.718 -3.484 25924 2948 1 8 . 1 1 27 27 PRO CA C 27 60.676 60.676 62.557 -1.881 25924 2949 1 8 . 1 1 27 27 PRO CB C 27 29.510 29.510 32.934 -3.424 25924 2950 1 8 . 1 1 28 28 LEU N N 28 124.504 124.504 117.663 6.841 25924 2951 1 8 . 1 1 28 28 LEU HA H 28 4.712 4.712 4.357 0.355 25924 2952 1 8 . 1 1 28 28 LEU C C 28 172.463 172.463 174.830 -2.367 25924 2953 1 8 . 1 1 28 28 LEU CA C 28 50.999 50.999 54.208 -3.209 25924 2954 1 8 . 1 1 28 28 LEU CB C 28 42.433 42.433 44.494 -2.061 25924 2955 1 8 . 1 1 28 28 LEU H H 28 8.477 8.477 8.069 0.408 25924 2956 1 8 . 1 1 29 29 TYR N N 29 123.137 123.137 118.887 4.250 25924 2957 1 8 . 1 1 29 29 TYR HA H 29 5.285 5.285 4.972 0.313 25924 2958 1 8 . 1 1 29 29 TYR C C 29 173.614 173.614 175.303 -1.689 25924 2959 1 8 . 1 1 29 29 TYR CA C 29 54.959 54.959 56.981 -2.022 25924 2960 1 8 . 1 1 29 29 TYR CB C 29 37.328 37.328 39.527 -2.199 25924 2961 1 8 . 1 1 29 29 TYR H H 29 8.907 8.907 8.150 0.757 25924 2962 1 8 . 1 1 30 30 LYS N N 30 122.426 122.426 125.410 -2.984 25924 2963 1 8 . 1 1 30 30 LYS C C 30 172.500 172.500 175.701 -3.201 25924 2964 1 8 . 1 1 30 30 LYS CA C 30 52.399 52.399 55.666 -3.267 25924 2965 1 8 . 1 1 30 30 LYS CB C 30 34.086 34.086 35.621 -1.535 25924 2966 1 8 . 1 1 30 30 LYS H H 30 9.344 9.344 8.603 0.741 25924 2967 1 8 . 1 1 31 31 THR HA H 31 4.510 4.510 4.351 0.159 25924 2968 1 8 . 1 1 31 31 THR CA C 31 60.787 60.787 62.777 -1.990 25924 2969 1 8 . 1 1 32 32 LEU N N 32 129.198 129.198 125.702 3.496 25924 2970 1 8 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.460 -0.020 25924 2971 1 8 . 1 1 32 32 LEU C C 32 174.368 174.368 176.959 -2.591 25924 2972 1 8 . 1 1 32 32 LEU CA C 32 52.683 52.683 56.183 -3.500 25924 2973 1 8 . 1 1 32 32 LEU CB C 32 40.207 40.207 42.809 -2.603 25924 2974 1 8 . 1 1 32 32 LEU H H 32 9.019 9.019 8.958 0.061 25924 2975 1 8 . 1 1 33 33 GLN N N 33 115.992 115.992 114.558 1.434 25924 2976 1 8 . 1 1 33 33 GLN C C 33 171.615 171.615 173.663 -2.048 25924 2977 1 8 . 1 1 33 33 GLN CA C 33 53.264 53.264 54.953 -1.689 25924 2978 1 8 . 1 1 33 33 GLN CB C 33 28.844 28.844 33.441 -4.597 25924 2979 1 8 . 1 1 33 33 GLN H H 33 7.689 7.689 7.622 0.067 25924 2980 1 8 . 1 1 34 34 THR N N 34 119.608 119.608 117.914 1.694 25924 2981 1 8 . 1 1 34 34 THR HA H 34 4.489 4.489 4.642 -0.153 25924 2982 1 8 . 1 1 34 34 THR C C 34 170.622 170.622 173.833 -3.211 25924 2983 1 8 . 1 1 34 34 THR CA C 34 59.144 59.144 61.497 -2.353 25924 2984 1 8 . 1 1 34 34 THR CB C 34 67.805 67.805 69.351 -1.546 25924 2985 1 8 . 1 1 34 34 THR H H 34 8.345 8.345 8.348 -0.003 25924 2986 1 8 . 1 1 35 35 VAL N N 35 120.795 120.795 126.572 -5.777 25924 2987 1 8 . 1 1 35 35 VAL HA H 35 4.492 4.492 4.283 0.209 25924 2988 1 8 . 1 1 35 35 VAL C C 35 172.242 172.242 174.811 -2.569 25924 2989 1 8 . 1 1 35 35 VAL CA C 35 57.697 57.697 61.217 -3.520 25924 2990 1 8 . 1 1 35 35 VAL CB C 35 32.804 32.804 34.166 -1.363 25924 2991 1 8 . 1 1 35 35 VAL H H 35 8.134 8.134 8.478 -0.344 25924 2992 1 8 . 1 1 36 36 GLY N N 36 110.608 110.608 112.857 -2.249 25924 2993 1 8 . 1 1 36 36 GLY C C 36 169.453 169.453 173.189 -3.736 25924 2994 1 8 . 1 1 36 36 GLY CA C 36 41.094 41.094 43.902 -2.808 25924 2995 1 8 . 1 1 36 36 GLY H H 36 8.229 8.229 8.543 -0.314 25924 2996 1 8 . 1 1 39 39 HIS HA H 39 4.631 4.631 4.306 0.325 25924 2997 1 8 . 1 1 39 39 HIS C C 39 172.140 172.140 175.019 -2.879 25924 2998 1 8 . 1 1 39 39 HIS CA C 39 53.584 53.584 57.326 -3.742 25924 2999 1 8 . 1 1 39 39 HIS CB C 39 27.736 27.736 29.285 -1.548 25924 3000 1 8 . 1 1 40 40 ALA N N 40 128.155 128.155 122.869 5.286 25924 3001 1 8 . 1 1 40 40 ALA HA H 40 4.422 4.422 4.441 -0.019 25924 3002 1 8 . 1 1 40 40 ALA C C 40 171.693 171.693 176.548 -4.855 25924 3003 1 8 . 1 1 40 40 ALA CA C 40 48.979 48.979 51.471 -2.492 25924 3004 1 8 . 1 1 40 40 ALA CB C 40 15.335 15.335 19.853 -4.518 25924 3005 1 8 . 1 1 40 40 ALA H H 40 7.582 7.582 6.741 0.841 25924 3006 1 8 . 1 1 41 41 ARG N N 41 122.997 122.997 121.577 1.420 25924 3007 1 8 . 1 1 41 41 ARG HA H 41 4.467 4.467 4.390 0.077 25924 3008 1 8 . 1 1 41 41 ARG C C 41 174.236 174.236 176.351 -2.115 25924 3009 1 8 . 1 1 41 41 ARG CA C 41 52.715 52.715 55.314 -2.599 25924 3010 1 8 . 1 1 41 41 ARG CB C 41 29.506 29.506 31.222 -1.716 25924 3011 1 8 . 1 1 41 41 ARG H H 41 8.090 8.090 8.559 -0.469 25924 3012 1 8 . 1 1 42 42 THR N N 42 116.202 116.202 112.686 3.516 25924 3013 1 8 . 1 1 42 42 THR HA H 42 4.448 4.448 5.036 -0.588 25924 3014 1 8 . 1 1 42 42 THR C C 42 171.192 171.192 173.119 -1.927 25924 3015 1 8 . 1 1 42 42 THR CA C 42 59.750 59.750 60.279 -0.529 25924 3016 1 8 . 1 1 42 42 THR CB C 42 67.917 67.917 71.776 -3.859 25924 3017 1 8 . 1 1 42 42 THR H H 42 8.572 8.572 8.512 0.060 25924 3018 1 8 . 1 1 43 43 TYR N N 43 127.687 127.687 121.415 6.272 25924 3019 1 8 . 1 1 43 43 TYR HA H 43 4.719 4.719 4.851 -0.132 25924 3020 1 8 . 1 1 43 43 TYR C C 43 172.160 172.160 175.494 -3.334 25924 3021 1 8 . 1 1 43 43 TYR CA C 43 54.921 54.921 56.715 -1.794 25924 3022 1 8 . 1 1 43 43 TYR CB C 43 38.220 38.220 42.176 -3.956 25924 3023 1 8 . 1 1 43 43 TYR H H 43 9.255 9.255 9.404 -0.149 25924 3024 1 8 . 1 1 44 44 THR N N 44 117.178 117.178 118.842 -1.664 25924 3025 1 8 . 1 1 44 44 THR HA H 44 5.162 5.162 4.968 0.194 25924 3026 1 8 . 1 1 44 44 THR C C 44 171.330 171.330 172.652 -1.322 25924 3027 1 8 . 1 1 44 44 THR CA C 44 59.299 59.299 61.810 -2.511 25924 3028 1 8 . 1 1 44 44 THR CB C 44 67.619 67.619 70.557 -2.938 25924 3029 1 8 . 1 1 44 44 THR H H 44 8.699 8.699 8.550 0.149 25924 3030 1 8 . 1 1 45 45 VAL N N 45 128.199 128.199 125.664 2.535 25924 3031 1 8 . 1 1 45 45 VAL HA H 45 4.177 4.177 4.544 -0.367 25924 3032 1 8 . 1 1 45 45 VAL C C 45 169.635 169.635 172.553 -2.918 25924 3033 1 8 . 1 1 45 45 VAL CA C 45 57.558 57.558 59.643 -2.085 25924 3034 1 8 . 1 1 45 45 VAL CB C 45 32.829 32.829 35.356 -2.527 25924 3035 1 8 . 1 1 45 45 VAL H H 45 9.331 9.331 8.374 0.957 25924 3036 1 8 . 1 1 46 46 ALA N N 46 126.929 126.929 127.527 -0.598 25924 3037 1 8 . 1 1 46 46 ALA HA H 46 5.260 5.260 5.037 0.223 25924 3038 1 8 . 1 1 46 46 ALA C C 46 171.973 171.973 175.660 -3.687 25924 3039 1 8 . 1 1 46 46 ALA CA C 46 46.865 46.865 50.390 -3.525 25924 3040 1 8 . 1 1 46 46 ALA CB C 46 21.198 21.198 21.969 -0.771 25924 3041 1 8 . 1 1 46 46 ALA H H 46 8.961 8.961 8.466 0.495 25924 3042 1 8 . 1 1 47 47 VAL N N 47 118.914 118.914 122.969 -4.055 25924 3043 1 8 . 1 1 47 47 VAL HA H 47 4.961 4.961 4.182 0.779 25924 3044 1 8 . 1 1 47 47 VAL C C 47 170.285 170.285 174.821 -4.536 25924 3045 1 8 . 1 1 47 47 VAL CA C 47 55.384 55.384 62.281 -6.897 25924 3046 1 8 . 1 1 47 47 VAL CB C 47 32.098 32.098 33.063 -0.965 25924 3047 1 8 . 1 1 47 47 VAL H H 47 8.248 8.248 8.341 -0.093 25924 3048 1 8 . 1 1 48 48 TYR N N 48 126.815 126.815 127.063 -0.248 25924 3049 1 8 . 1 1 48 48 TYR HA H 48 5.217 5.217 4.638 0.579 25924 3050 1 8 . 1 1 48 48 TYR C C 48 172.504 172.504 173.897 -1.393 25924 3051 1 8 . 1 1 48 48 TYR CA C 48 53.610 53.610 57.980 -4.370 25924 3052 1 8 . 1 1 48 48 TYR CB C 48 40.339 40.339 40.488 -0.149 25924 3053 1 8 . 1 1 48 48 TYR H H 48 9.274 9.274 8.761 0.513 25924 3054 1 8 . 1 1 49 49 PHE N N 49 119.234 119.234 121.734 -2.500 25924 3055 1 8 . 1 1 49 49 PHE HA H 49 4.766 4.766 4.949 -0.183 25924 3056 1 8 . 1 1 49 49 PHE C C 49 172.390 172.390 175.431 -3.041 25924 3057 1 8 . 1 1 49 49 PHE CA C 49 54.128 54.128 57.468 -3.340 25924 3058 1 8 . 1 1 49 49 PHE CB C 49 40.240 40.240 43.121 -2.881 25924 3059 1 8 . 1 1 49 49 PHE H H 49 9.024 9.024 8.748 0.276 25924 3060 1 8 . 1 1 50 50 LYS N N 50 128.064 128.064 126.872 1.192 25924 3061 1 8 . 1 1 50 50 LYS HA H 50 3.502 3.502 3.592 -0.090 25924 3062 1 8 . 1 1 50 50 LYS C C 50 173.659 173.659 176.301 -2.642 25924 3063 1 8 . 1 1 50 50 LYS CA C 50 54.906 54.906 56.639 -1.733 25924 3064 1 8 . 1 1 50 50 LYS CB C 50 26.726 26.726 31.036 -4.310 25924 3065 1 8 . 1 1 50 50 LYS H H 50 9.035 9.035 8.582 0.453 25924 3066 1 8 . 1 1 51 51 GLY N N 51 104.286 104.286 102.057 2.229 25924 3067 1 8 . 1 1 51 51 GLY C C 51 170.970 170.970 173.845 -2.875 25924 3068 1 8 . 1 1 51 51 GLY CA C 51 42.553 42.553 44.872 -2.319 25924 3069 1 8 . 1 1 51 51 GLY H H 51 8.893 8.893 7.987 0.906 25924 3070 1 8 . 1 1 52 52 GLU N N 52 121.087 121.087 120.543 0.544 25924 3071 1 8 . 1 1 52 52 GLU HA H 52 4.617 4.617 4.703 -0.086 25924 3072 1 8 . 1 1 52 52 GLU C C 52 172.477 172.477 175.617 -3.140 25924 3073 1 8 . 1 1 52 52 GLU CA C 52 51.709 51.709 54.294 -2.585 25924 3074 1 8 . 1 1 52 52 GLU CB C 52 29.248 29.248 32.325 -3.078 25924 3075 1 8 . 1 1 52 52 GLU H H 52 7.710 7.710 8.278 -0.568 25924 3076 1 8 . 1 1 53 53 ARG N N 53 126.720 126.720 126.385 0.335 25924 3077 1 8 . 1 1 53 53 ARG C C 53 173.977 173.977 176.835 -2.858 25924 3078 1 8 . 1 1 53 53 ARG CA C 53 54.250 54.250 57.463 -3.213 25924 3079 1 8 . 1 1 53 53 ARG CB C 53 27.373 27.373 30.517 -3.144 25924 3080 1 8 . 1 1 53 53 ARG H H 53 8.919 8.919 8.886 0.033 25924 3081 1 8 . 1 1 54 54 ILE N N 54 122.215 122.215 116.347 5.868 25924 3082 1 8 . 1 1 54 54 ILE HA H 54 4.549 4.549 4.574 -0.025 25924 3083 1 8 . 1 1 54 54 ILE C C 54 172.161 172.161 174.755 -2.594 25924 3084 1 8 . 1 1 54 54 ILE CA C 54 58.807 58.807 60.410 -1.603 25924 3085 1 8 . 1 1 54 54 ILE CB C 54 37.207 37.207 39.472 -2.265 25924 3086 1 8 . 1 1 54 54 ILE H H 54 8.920 8.920 8.189 0.731 25924 3087 1 8 . 1 1 55 55 GLY N N 55 107.034 107.034 106.743 0.291 25924 3088 1 8 . 1 1 55 55 GLY C C 55 169.649 169.649 172.000 -2.351 25924 3089 1 8 . 1 1 55 55 GLY CA C 55 42.712 42.712 45.603 -2.892 25924 3090 1 8 . 1 1 55 55 GLY H H 55 7.233 7.233 7.438 -0.205 25924 3091 1 8 . 1 1 56 56 CYS N N 56 121.361 121.361 120.856 0.505 25924 3092 1 8 . 1 1 56 56 CYS HA H 56 5.264 5.264 5.280 -0.016 25924 3093 1 8 . 1 1 56 56 CYS C C 56 169.550 169.550 174.526 -4.976 25924 3094 1 8 . 1 1 56 56 CYS CA C 56 53.638 53.638 58.008 -4.370 25924 3095 1 8 . 1 1 56 56 CYS CB C 56 40.291 40.291 31.479 8.812 25924 3096 1 8 . 1 1 56 56 CYS H H 56 9.739 9.739 8.702 1.037 25924 3097 1 8 . 1 1 57 57 GLY N N 57 113.662 113.662 111.673 1.989 25924 3098 1 8 . 1 1 57 57 GLY C C 57 168.036 168.036 171.395 -3.359 25924 3099 1 8 . 1 1 57 57 GLY CA C 57 41.978 41.978 45.593 -3.615 25924 3100 1 8 . 1 1 57 57 GLY H H 57 9.408 9.408 8.752 0.656 25924 3101 1 8 . 1 1 58 58 LYS N N 58 117.565 117.565 117.769 -0.204 25924 3102 1 8 . 1 1 58 58 LYS HA H 58 5.981 5.981 5.481 0.500 25924 3103 1 8 . 1 1 58 58 LYS C C 58 174.185 174.185 175.806 -1.621 25924 3104 1 8 . 1 1 58 58 LYS CA C 58 51.418 51.418 54.269 -2.851 25924 3105 1 8 . 1 1 58 58 LYS CB C 58 34.533 34.533 35.560 -1.027 25924 3106 1 8 . 1 1 58 58 LYS H H 58 8.427 8.427 8.366 0.061 25924 3107 1 8 . 1 1 59 59 GLY N N 59 106.060 106.060 107.497 -1.437 25924 3108 1 8 . 1 1 59 59 GLY C C 59 168.361 168.361 172.316 -3.955 25924 3109 1 8 . 1 1 59 59 GLY CA C 59 43.281 43.281 45.977 -2.696 25924 3110 1 8 . 1 1 59 59 GLY H H 59 8.534 8.534 8.085 0.449 25924 3111 1 8 . 1 1 60 60 PRO HA H 60 5.242 5.242 4.577 0.665 25924 3112 1 8 . 1 1 60 60 PRO C C 60 172.019 172.019 176.173 -4.154 25924 3113 1 8 . 1 1 60 60 PRO CA C 60 61.161 61.161 64.524 -3.363 25924 3114 1 8 . 1 1 60 60 PRO CB C 60 29.185 29.185 32.163 -2.978 25924 3115 1 8 . 1 1 61 61 SER N N 61 110.749 110.749 107.953 2.796 25924 3116 1 8 . 1 1 61 61 SER C C 61 170.857 170.857 174.466 -3.609 25924 3117 1 8 . 1 1 61 61 SER CA C 61 53.387 53.387 56.811 -3.424 25924 3118 1 8 . 1 1 61 61 SER CB C 61 63.795 63.795 65.842 -2.047 25924 3119 1 8 . 1 1 61 61 SER H H 61 7.289 7.289 7.406 -0.117 25924 3120 1 8 . 1 1 62 62 LYS HA H 62 3.155 3.155 4.021 -0.866 25924 3121 1 8 . 1 1 62 62 LYS C C 62 175.308 175.308 177.960 -2.652 25924 3122 1 8 . 1 1 62 62 LYS CA C 62 57.915 57.915 59.035 -1.120 25924 3123 1 8 . 1 1 62 62 LYS CB C 62 28.989 28.989 31.957 -2.968 25924 3124 1 8 . 1 1 63 63 LYS N N 63 118.188 118.188 120.605 -2.417 25924 3125 1 8 . 1 1 63 63 LYS HA H 63 3.709 3.709 3.940 -0.231 25924 3126 1 8 . 1 1 63 63 LYS C C 63 175.856 175.856 178.678 -2.822 25924 3127 1 8 . 1 1 63 63 LYS CA C 63 57.097 57.097 59.173 -2.076 25924 3128 1 8 . 1 1 63 63 LYS CB C 63 29.746 29.746 31.626 -1.880 25924 3129 1 8 . 1 1 63 63 LYS H H 63 8.246 8.246 8.098 0.148 25924 3130 1 8 . 1 1 64 64 GLN N N 64 116.733 116.733 118.052 -1.319 25924 3131 1 8 . 1 1 64 64 GLN HA H 64 3.927 3.927 4.061 -0.134 25924 3132 1 8 . 1 1 64 64 GLN C C 64 176.277 176.277 178.035 -1.758 25924 3133 1 8 . 1 1 64 64 GLN CA C 64 56.240 56.240 58.861 -2.621 25924 3134 1 8 . 1 1 64 64 GLN CB C 64 26.506 26.506 28.537 -2.031 25924 3135 1 8 . 1 1 64 64 GLN H H 64 7.701 7.701 7.730 -0.029 25924 3136 1 8 . 1 1 65 65 ALA N N 65 123.381 123.381 122.387 0.994 25924 3137 1 8 . 1 1 65 65 ALA HA H 65 3.726 3.726 4.004 -0.278 25924 3138 1 8 . 1 1 65 65 ALA C C 65 175.750 175.750 179.504 -3.754 25924 3139 1 8 . 1 1 65 65 ALA CA C 65 53.009 53.009 55.188 -2.179 25924 3140 1 8 . 1 1 65 65 ALA CB C 65 16.089 16.089 18.333 -2.244 25924 3141 1 8 . 1 1 65 65 ALA H H 65 7.933 7.933 7.727 0.206 25924 3142 1 8 . 1 1 66 66 LYS N N 66 118.715 118.715 119.130 -0.415 25924 3143 1 8 . 1 1 66 66 LYS HA H 66 3.626 3.626 3.880 -0.254 25924 3144 1 8 . 1 1 66 66 LYS C C 66 175.275 175.275 178.694 -3.419 25924 3145 1 8 . 1 1 66 66 LYS CA C 66 57.658 57.658 59.594 -1.936 25924 3146 1 8 . 1 1 66 66 LYS CB C 66 30.268 30.268 32.216 -1.948 25924 3147 1 8 . 1 1 66 66 LYS H H 66 8.353 8.353 8.402 -0.049 25924 3148 1 8 . 1 1 67 67 MET N N 67 117.211 117.211 120.166 -2.955 25924 3149 1 8 . 1 1 67 67 MET HA H 67 3.821 3.821 4.053 -0.232 25924 3150 1 8 . 1 1 67 67 MET C C 67 175.660 175.660 178.224 -2.564 25924 3151 1 8 . 1 1 67 67 MET CA C 67 56.845 56.845 59.258 -2.413 25924 3152 1 8 . 1 1 67 67 MET CB C 67 29.950 29.950 32.493 -2.543 25924 3153 1 8 . 1 1 67 67 MET H H 67 8.011 8.011 7.807 0.204 25924 3154 1 8 . 1 1 68 68 GLY N N 68 105.985 105.985 106.236 -0.251 25924 3155 1 8 . 1 1 68 68 GLY C C 68 173.545 173.545 175.543 -1.998 25924 3156 1 8 . 1 1 68 68 GLY CA C 68 44.643 44.643 46.739 -2.096 25924 3157 1 8 . 1 1 68 68 GLY H H 68 8.094 8.094 7.967 0.127 25924 3158 1 8 . 1 1 69 69 ALA N N 69 127.579 127.579 125.463 2.116 25924 3159 1 8 . 1 1 69 69 ALA HA H 69 3.841 3.841 4.071 -0.230 25924 3160 1 8 . 1 1 69 69 ALA C C 69 175.840 175.840 179.334 -3.494 25924 3161 1 8 . 1 1 69 69 ALA CA C 69 52.512 52.512 54.774 -2.262 25924 3162 1 8 . 1 1 69 69 ALA CB C 69 15.069 15.069 18.471 -3.402 25924 3163 1 8 . 1 1 69 69 ALA H H 69 8.437 8.437 8.516 -0.079 25924 3164 1 8 . 1 1 70 70 ALA N N 70 119.968 119.968 120.992 -1.024 25924 3165 1 8 . 1 1 70 70 ALA HA H 70 4.003 4.003 3.954 0.049 25924 3166 1 8 . 1 1 70 70 ALA C C 70 176.847 176.847 179.397 -2.550 25924 3167 1 8 . 1 1 70 70 ALA CA C 70 52.759 52.759 54.967 -2.208 25924 3168 1 8 . 1 1 70 70 ALA CB C 70 15.297 15.297 18.188 -2.891 25924 3169 1 8 . 1 1 70 70 ALA H H 70 8.219 8.219 8.501 -0.282 25924 3170 1 8 . 1 1 71 71 MET N N 71 115.754 115.754 117.971 -2.217 25924 3171 1 8 . 1 1 71 71 MET HA H 71 4.010 4.010 4.016 -0.006 25924 3172 1 8 . 1 1 71 71 MET C C 71 175.596 175.596 177.648 -2.052 25924 3173 1 8 . 1 1 71 71 MET CA C 71 56.613 56.613 58.958 -2.345 25924 3174 1 8 . 1 1 71 71 MET CB C 71 30.407 30.407 32.565 -2.158 25924 3175 1 8 . 1 1 71 71 MET H H 71 8.294 8.294 8.038 0.256 25924 3176 1 8 . 1 1 72 72 ASP N N 72 120.287 120.287 119.933 0.354 25924 3177 1 8 . 1 1 72 72 ASP HA H 72 4.389 4.389 4.297 0.092 25924 3178 1 8 . 1 1 72 72 ASP C C 72 175.052 175.052 178.505 -3.453 25924 3179 1 8 . 1 1 72 72 ASP CA C 72 54.995 54.995 57.473 -2.478 25924 3180 1 8 . 1 1 72 72 ASP CB C 72 40.461 40.461 40.186 0.275 25924 3181 1 8 . 1 1 72 72 ASP H H 72 8.045 8.045 8.265 -0.220 25924 3182 1 8 . 1 1 73 73 ALA N N 73 119.640 119.640 122.722 -3.082 25924 3183 1 8 . 1 1 73 73 ALA HA H 73 4.188 4.188 4.177 0.011 25924 3184 1 8 . 1 1 73 73 ALA C C 73 177.251 177.251 179.578 -2.327 25924 3185 1 8 . 1 1 73 73 ALA CA C 73 52.041 52.041 54.775 -2.734 25924 3186 1 8 . 1 1 73 73 ALA CB C 73 16.473 16.473 18.761 -2.288 25924 3187 1 8 . 1 1 73 73 ALA H H 73 8.028 8.028 7.570 0.458 25924 3188 1 8 . 1 1 74 74 LEU N N 74 117.010 117.010 119.212 -2.202 25924 3189 1 8 . 1 1 74 74 LEU HA H 74 3.992 3.992 3.877 0.115 25924 3190 1 8 . 1 1 74 74 LEU C C 74 176.643 176.643 178.830 -2.187 25924 3191 1 8 . 1 1 74 74 LEU CA C 74 55.519 55.519 57.797 -2.279 25924 3192 1 8 . 1 1 74 74 LEU CB C 74 39.698 39.698 41.790 -2.092 25924 3193 1 8 . 1 1 74 74 LEU H H 74 8.397 8.397 7.787 0.610 25924 3194 1 8 . 1 1 75 75 GLU N N 75 117.709 117.709 117.924 -0.215 25924 3195 1 8 . 1 1 75 75 GLU HA H 75 4.109 4.109 4.127 -0.018 25924 3196 1 8 . 1 1 75 75 GLU C C 75 175.976 175.976 178.623 -2.647 25924 3197 1 8 . 1 1 75 75 GLU CA C 75 55.916 55.916 58.678 -2.762 25924 3198 1 8 . 1 1 75 75 GLU CB C 75 27.425 27.425 29.551 -2.126 25924 3199 1 8 . 1 1 75 75 GLU H H 75 7.812 7.812 8.184 -0.372 25924 3200 1 8 . 1 1 76 76 LYS N N 76 117.440 117.440 116.631 0.809 25924 3201 1 8 . 1 1 76 76 LYS HA H 76 4.140 4.140 4.204 -0.064 25924 3202 1 8 . 1 1 76 76 LYS C C 76 174.882 174.882 176.677 -1.795 25924 3203 1 8 . 1 1 76 76 LYS CA C 76 55.187 55.187 56.672 -1.485 25924 3204 1 8 . 1 1 76 76 LYS CB C 76 31.270 31.270 33.309 -2.039 25924 3205 1 8 . 1 1 76 76 LYS H H 76 7.892 7.892 7.597 0.295 25924 3206 1 8 . 1 1 77 77 TYR N N 77 120.225 120.225 118.997 1.228 25924 3207 1 8 . 1 1 77 77 TYR HA H 77 4.044 4.044 4.129 -0.085 25924 3208 1 8 . 1 1 77 77 TYR C C 77 172.041 172.041 173.937 -1.896 25924 3209 1 8 . 1 1 77 77 TYR CA C 77 56.878 56.878 58.357 -1.479 25924 3210 1 8 . 1 1 77 77 TYR CB C 77 35.852 35.852 37.271 -1.419 25924 3211 1 8 . 1 1 77 77 TYR H H 77 8.149 8.149 7.914 0.235 25924 3212 1 8 . 1 1 78 78 ASN N N 78 121.088 121.088 122.678 -1.590 25924 3213 1 8 . 1 1 78 78 ASN HA H 78 4.537 4.537 4.646 -0.109 25924 3214 1 8 . 1 1 78 78 ASN C C 78 171.116 171.116 175.593 -4.477 25924 3215 1 8 . 1 1 78 78 ASN CA C 78 49.866 49.866 52.381 -2.515 25924 3216 1 8 . 1 1 78 78 ASN CB C 78 35.302 35.302 38.996 -3.694 25924 3217 1 8 . 1 1 78 78 ASN H H 78 7.436 7.436 7.992 -0.556 25924 3218 1 8 . 1 1 79 79 PHE N N 79 122.211 122.211 117.807 4.404 25924 3219 1 8 . 1 1 79 79 PHE C C 79 171.220 171.220 174.686 -3.466 25924 3220 1 8 . 1 1 79 79 PHE CA C 79 54.195 54.195 57.539 -3.344 25924 3221 1 8 . 1 1 79 79 PHE CB C 79 35.969 35.969 38.639 -2.670 25924 3222 1 8 . 1 1 79 79 PHE H H 79 7.901 7.901 8.712 -0.811 25924 3223 1 8 . 1 1 80 80 PRO HA H 80 4.367 4.367 4.595 -0.228 25924 3224 1 8 . 1 1 80 80 PRO C C 80 173.721 173.721 177.456 -3.735 25924 3225 1 8 . 1 1 80 80 PRO CA C 80 60.634 60.634 63.320 -2.686 25924 3226 1 8 . 1 1 80 80 PRO CB C 80 29.356 29.356 30.148 -0.792 25924 3227 1 8 . 1 1 81 81 GLN N N 81 120.432 120.432 116.549 3.883 25924 3228 1 8 . 1 1 81 81 GLN HA H 81 4.232 4.232 3.625 0.607 25924 3229 1 8 . 1 1 81 81 GLN C C 81 172.475 172.475 175.460 -2.985 25924 3230 1 8 . 1 1 81 81 GLN CA C 81 53.216 53.216 57.467 -4.251 25924 3231 1 8 . 1 1 81 81 GLN CB C 81 26.823 26.823 28.250 -1.427 25924 3232 1 8 . 1 1 81 81 GLN H H 81 8.347 8.347 8.467 -0.120 25924 3233 1 9 . 1 1 6 6 PRO HA H 6 4.233 4.233 4.553 -0.320 25924 3234 1 9 . 1 1 6 6 PRO C C 6 174.849 174.849 178.033 -3.184 25924 3235 1 9 . 1 1 6 6 PRO CA C 6 62.494 62.494 61.859 0.635 25924 3236 1 9 . 1 1 6 6 PRO CB C 6 30.061 30.061 32.921 -2.860 25924 3237 1 9 . 1 1 7 7 ILE N N 7 118.341 118.341 117.059 1.282 25924 3238 1 9 . 1 1 7 7 ILE HA H 7 3.556 3.556 3.869 -0.313 25924 3239 1 9 . 1 1 7 7 ILE C C 7 177.294 177.294 177.463 -0.169 25924 3240 1 9 . 1 1 7 7 ILE CA C 7 62.546 62.546 62.481 0.065 25924 3241 1 9 . 1 1 7 7 ILE CB C 7 34.984 34.984 37.129 -2.145 25924 3242 1 9 . 1 1 7 7 ILE H H 7 7.420 7.420 8.616 -1.196 25924 3243 1 9 . 1 1 8 8 SER N N 8 118.043 118.043 116.643 1.400 25924 3244 1 9 . 1 1 8 8 SER HA H 8 4.140 4.140 4.167 -0.027 25924 3245 1 9 . 1 1 8 8 SER C C 8 174.216 174.216 176.903 -2.687 25924 3246 1 9 . 1 1 8 8 SER CA C 8 58.686 58.686 61.270 -2.584 25924 3247 1 9 . 1 1 8 8 SER CB C 8 59.913 59.913 62.078 -2.165 25924 3248 1 9 . 1 1 8 8 SER H H 8 7.867 7.867 8.354 -0.487 25924 3249 1 9 . 1 1 9 9 GLN N N 9 121.528 121.528 122.248 -0.720 25924 3250 1 9 . 1 1 9 9 GLN HA H 9 3.894 3.894 4.055 -0.161 25924 3251 1 9 . 1 1 9 9 GLN C C 9 175.750 175.750 178.260 -2.510 25924 3252 1 9 . 1 1 9 9 GLN CA C 9 56.418 56.418 59.099 -2.681 25924 3253 1 9 . 1 1 9 9 GLN CB C 9 26.763 26.763 28.504 -1.741 25924 3254 1 9 . 1 1 9 9 GLN H H 9 8.384 8.384 7.728 0.656 25924 3255 1 9 . 1 1 10 10 LEU N N 10 120.026 120.026 119.517 0.509 25924 3256 1 9 . 1 1 10 10 LEU HA H 10 3.903 3.903 3.950 -0.047 25924 3257 1 9 . 1 1 10 10 LEU C C 10 174.336 174.336 178.923 -4.587 25924 3258 1 9 . 1 1 10 10 LEU CA C 10 55.816 55.816 57.386 -1.570 25924 3259 1 9 . 1 1 10 10 LEU CB C 10 38.168 38.168 41.462 -3.294 25924 3260 1 9 . 1 1 10 10 LEU H H 10 8.357 8.357 7.534 0.823 25924 3261 1 9 . 1 1 11 11 GLN N N 11 116.550 116.550 119.232 -2.682 25924 3262 1 9 . 1 1 11 11 GLN HA H 11 3.591 3.591 3.756 -0.165 25924 3263 1 9 . 1 1 11 11 GLN C C 11 175.196 175.196 178.377 -3.181 25924 3264 1 9 . 1 1 11 11 GLN CA C 11 57.729 57.729 59.639 -1.910 25924 3265 1 9 . 1 1 11 11 GLN CB C 11 20.954 20.954 28.660 -7.706 25924 3266 1 9 . 1 1 11 11 GLN H H 11 7.445 7.445 8.639 -1.194 25924 3267 1 9 . 1 1 12 12 GLN N N 12 116.948 116.948 118.494 -1.546 25924 3268 1 9 . 1 1 12 12 GLN HA H 12 3.940 3.940 4.033 -0.093 25924 3269 1 9 . 1 1 12 12 GLN C C 12 176.463 176.463 178.364 -1.901 25924 3270 1 9 . 1 1 12 12 GLN CA C 12 56.111 56.111 58.733 -2.622 25924 3271 1 9 . 1 1 12 12 GLN CB C 12 25.406 25.406 28.196 -2.790 25924 3272 1 9 . 1 1 12 12 GLN H H 12 8.159 8.159 8.087 0.072 25924 3273 1 9 . 1 1 13 13 CYS N N 13 119.104 119.104 120.403 -1.299 25924 3274 1 9 . 1 1 13 13 CYS HA H 13 4.246 4.246 4.128 0.118 25924 3275 1 9 . 1 1 13 13 CYS C C 13 174.884 174.884 177.332 -2.448 25924 3276 1 9 . 1 1 13 13 CYS CA C 13 55.688 55.688 62.563 -6.875 25924 3277 1 9 . 1 1 13 13 CYS CB C 13 36.819 36.819 27.603 9.216 25924 3278 1 9 . 1 1 13 13 CYS H H 13 8.255 8.255 7.901 0.354 25924 3279 1 9 . 1 1 14 14 CYS N N 14 119.738 119.738 119.677 0.061 25924 3280 1 9 . 1 1 14 14 CYS HA H 14 3.872 3.872 3.932 -0.060 25924 3281 1 9 . 1 1 14 14 CYS C C 14 174.825 174.825 176.457 -1.632 25924 3282 1 9 . 1 1 14 14 CYS CA C 14 59.649 59.649 63.979 -4.330 25924 3283 1 9 . 1 1 14 14 CYS CB C 14 30.799 30.799 27.819 2.980 25924 3284 1 9 . 1 1 14 14 CYS H H 14 8.472 8.472 8.588 -0.116 25924 3285 1 9 . 1 1 15 15 LEU N N 15 120.206 120.206 119.741 0.465 25924 3286 1 9 . 1 1 15 15 LEU HA H 15 4.164 4.164 4.006 0.158 25924 3287 1 9 . 1 1 15 15 LEU C C 15 176.334 176.334 178.594 -2.260 25924 3288 1 9 . 1 1 15 15 LEU CA C 15 55.008 55.008 58.369 -3.361 25924 3289 1 9 . 1 1 15 15 LEU CB C 15 39.276 39.276 41.907 -2.631 25924 3290 1 9 . 1 1 15 15 LEU H H 15 7.875 7.875 8.206 -0.331 25924 3291 1 9 . 1 1 16 16 THR N N 16 111.015 111.015 109.362 1.653 25924 3292 1 9 . 1 1 16 16 THR HA H 16 4.188 4.188 4.095 0.093 25924 3293 1 9 . 1 1 16 16 THR C C 16 172.543 172.543 175.168 -2.625 25924 3294 1 9 . 1 1 16 16 THR CA C 16 61.556 61.556 63.124 -1.568 25924 3295 1 9 . 1 1 16 16 THR CB C 16 67.074 67.074 70.207 -3.133 25924 3296 1 9 . 1 1 16 16 THR H H 16 7.636 7.636 7.853 -0.217 25924 3297 1 9 . 1 1 17 17 LEU N N 17 121.097 121.097 122.281 -1.184 25924 3298 1 9 . 1 1 17 17 LEU HA H 17 4.366 4.366 3.762 0.604 25924 3299 1 9 . 1 1 17 17 LEU C C 17 174.215 174.215 175.216 -1.001 25924 3300 1 9 . 1 1 17 17 LEU CA C 17 52.269 52.269 55.557 -3.288 25924 3301 1 9 . 1 1 17 17 LEU CB C 17 39.018 39.018 40.369 -1.351 25924 3302 1 9 . 1 1 17 17 LEU H H 17 7.364 7.364 8.124 -0.760 25924 3303 1 9 . 1 1 18 18 ARG N N 18 120.709 120.709 121.114 -0.405 25924 3304 1 9 . 1 1 18 18 ARG HA H 18 4.371 4.371 4.260 0.111 25924 3305 1 9 . 1 1 18 18 ARG C C 18 173.362 173.362 175.996 -2.634 25924 3306 1 9 . 1 1 18 18 ARG CA C 18 53.709 53.709 57.422 -3.713 25924 3307 1 9 . 1 1 18 18 ARG CB C 18 28.038 28.038 30.891 -2.853 25924 3308 1 9 . 1 1 18 18 ARG H H 18 7.555 7.555 8.151 -0.596 25924 3309 1 9 . 1 1 19 19 THR N N 19 118.668 118.668 120.297 -1.629 25924 3310 1 9 . 1 1 19 19 THR HA H 19 4.387 4.387 4.566 -0.179 25924 3311 1 9 . 1 1 19 19 THR C C 19 171.580 171.580 173.254 -1.674 25924 3312 1 9 . 1 1 19 19 THR CA C 19 58.936 58.936 61.576 -2.640 25924 3313 1 9 . 1 1 19 19 THR CB C 19 67.672 67.672 71.625 -3.953 25924 3314 1 9 . 1 1 19 19 THR H H 19 8.540 8.540 8.466 0.074 25924 3315 1 9 . 1 1 20 20 GLU N N 20 124.039 124.039 126.548 -2.509 25924 3316 1 9 . 1 1 20 20 GLU HA H 20 4.075 4.075 4.143 -0.068 25924 3317 1 9 . 1 1 20 20 GLU C C 20 174.446 174.446 177.118 -2.672 25924 3318 1 9 . 1 1 20 20 GLU CA C 20 54.949 54.949 57.639 -2.690 25924 3319 1 9 . 1 1 20 20 GLU CB C 20 26.872 26.872 30.027 -3.155 25924 3320 1 9 . 1 1 20 20 GLU H H 20 8.586 8.586 8.924 -0.338 25924 3321 1 9 . 1 1 21 21 GLY N N 21 111.169 111.169 114.226 -3.057 25924 3322 1 9 . 1 1 21 21 GLY C C 21 171.105 171.105 174.135 -3.030 25924 3323 1 9 . 1 1 21 21 GLY CA C 21 42.662 42.662 44.956 -2.294 25924 3324 1 9 . 1 1 21 21 GLY H H 21 8.552 8.552 8.796 -0.244 25924 3325 1 9 . 1 1 22 22 LYS N N 22 119.376 119.376 122.183 -2.807 25924 3326 1 9 . 1 1 22 22 LYS HA H 22 4.453 4.453 4.730 -0.277 25924 3327 1 9 . 1 1 22 22 LYS C C 22 173.525 173.525 175.056 -1.531 25924 3328 1 9 . 1 1 22 22 LYS CA C 22 52.416 52.416 54.909 -2.493 25924 3329 1 9 . 1 1 22 22 LYS CB C 22 31.336 31.336 34.358 -3.022 25924 3330 1 9 . 1 1 22 22 LYS H H 22 7.798 7.798 7.787 0.011 25924 3331 1 9 . 1 1 23 23 GLU N N 23 122.631 122.631 124.172 -1.541 25924 3332 1 9 . 1 1 23 23 GLU C C 23 172.069 172.069 175.214 -3.145 25924 3333 1 9 . 1 1 23 23 GLU CA C 23 51.739 51.739 54.658 -2.919 25924 3334 1 9 . 1 1 23 23 GLU CB C 23 26.486 26.486 29.048 -2.562 25924 3335 1 9 . 1 1 24 24 PRO HA H 24 4.402 4.402 4.504 -0.102 25924 3336 1 9 . 1 1 24 24 PRO C C 24 173.547 173.547 176.255 -2.708 25924 3337 1 9 . 1 1 24 24 PRO CA C 24 60.521 60.521 63.090 -2.569 25924 3338 1 9 . 1 1 24 24 PRO CB C 24 29.522 29.522 32.715 -3.193 25924 3339 1 9 . 1 1 25 25 ASP N N 25 121.674 121.674 123.092 -1.418 25924 3340 1 9 . 1 1 25 25 ASP HA H 25 4.657 4.657 4.574 0.083 25924 3341 1 9 . 1 1 25 25 ASP C C 25 171.891 171.891 176.003 -4.112 25924 3342 1 9 . 1 1 25 25 ASP CA C 25 53.718 53.718 53.298 0.420 25924 3343 1 9 . 1 1 25 25 ASP CB C 25 40.677 40.677 41.102 -0.425 25924 3344 1 9 . 1 1 25 25 ASP H H 25 8.232 8.232 8.774 -0.542 25924 3345 1 9 . 1 1 26 26 ILE N N 26 116.402 116.402 119.332 -2.930 25924 3346 1 9 . 1 1 26 26 ILE C C 26 171.291 171.291 174.053 -2.762 25924 3347 1 9 . 1 1 26 26 ILE CA C 26 55.315 55.315 58.769 -3.454 25924 3348 1 9 . 1 1 26 26 ILE CB C 26 37.365 37.365 38.808 -1.443 25924 3349 1 9 . 1 1 26 26 ILE H H 26 8.108 8.108 8.109 -0.001 25924 3350 1 9 . 1 1 27 27 PRO HA H 27 4.723 4.723 4.351 0.372 25924 3351 1 9 . 1 1 27 27 PRO C C 27 172.234 172.234 175.556 -3.322 25924 3352 1 9 . 1 1 27 27 PRO CA C 27 60.676 60.676 62.519 -1.843 25924 3353 1 9 . 1 1 27 27 PRO CB C 27 29.510 29.510 32.340 -2.830 25924 3354 1 9 . 1 1 28 28 LEU N N 28 124.504 124.504 120.185 4.319 25924 3355 1 9 . 1 1 28 28 LEU HA H 28 4.712 4.712 4.746 -0.034 25924 3356 1 9 . 1 1 28 28 LEU C C 28 172.463 172.463 175.345 -2.882 25924 3357 1 9 . 1 1 28 28 LEU CA C 28 50.999 50.999 53.177 -2.178 25924 3358 1 9 . 1 1 28 28 LEU CB C 28 42.433 42.433 44.499 -2.066 25924 3359 1 9 . 1 1 28 28 LEU H H 28 8.477 8.477 7.582 0.895 25924 3360 1 9 . 1 1 29 29 TYR N N 29 123.137 123.137 119.015 4.122 25924 3361 1 9 . 1 1 29 29 TYR HA H 29 5.285 5.285 4.922 0.363 25924 3362 1 9 . 1 1 29 29 TYR C C 29 173.614 173.614 175.150 -1.536 25924 3363 1 9 . 1 1 29 29 TYR CA C 29 54.959 54.959 56.860 -1.901 25924 3364 1 9 . 1 1 29 29 TYR CB C 29 37.328 37.328 39.074 -1.746 25924 3365 1 9 . 1 1 29 29 TYR H H 29 8.907 8.907 7.790 1.117 25924 3366 1 9 . 1 1 30 30 LYS N N 30 122.426 122.426 123.618 -1.192 25924 3367 1 9 . 1 1 30 30 LYS C C 30 172.500 172.500 175.608 -3.108 25924 3368 1 9 . 1 1 30 30 LYS CA C 30 52.399 52.399 55.092 -2.693 25924 3369 1 9 . 1 1 30 30 LYS CB C 30 34.086 34.086 34.840 -0.754 25924 3370 1 9 . 1 1 30 30 LYS H H 30 9.344 9.344 8.478 0.866 25924 3371 1 9 . 1 1 31 31 THR HA H 31 4.510 4.510 4.388 0.122 25924 3372 1 9 . 1 1 31 31 THR CA C 31 60.787 60.787 62.220 -1.433 25924 3373 1 9 . 1 1 32 32 LEU N N 32 129.198 129.198 128.191 1.007 25924 3374 1 9 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.432 0.008 25924 3375 1 9 . 1 1 32 32 LEU C C 32 174.368 174.368 176.703 -2.335 25924 3376 1 9 . 1 1 32 32 LEU CA C 32 52.683 52.683 56.265 -3.582 25924 3377 1 9 . 1 1 32 32 LEU CB C 32 40.207 40.207 43.306 -3.099 25924 3378 1 9 . 1 1 32 32 LEU H H 32 9.019 9.019 8.864 0.155 25924 3379 1 9 . 1 1 33 33 GLN N N 33 115.992 115.992 115.479 0.513 25924 3380 1 9 . 1 1 33 33 GLN C C 33 171.615 171.615 174.006 -2.391 25924 3381 1 9 . 1 1 33 33 GLN CA C 33 53.264 53.264 55.042 -1.778 25924 3382 1 9 . 1 1 33 33 GLN CB C 33 28.844 28.844 32.221 -3.377 25924 3383 1 9 . 1 1 33 33 GLN H H 33 7.689 7.689 7.854 -0.165 25924 3384 1 9 . 1 1 34 34 THR N N 34 119.608 119.608 115.664 3.944 25924 3385 1 9 . 1 1 34 34 THR HA H 34 4.489 4.489 4.678 -0.189 25924 3386 1 9 . 1 1 34 34 THR C C 34 170.622 170.622 173.961 -3.339 25924 3387 1 9 . 1 1 34 34 THR CA C 34 59.144 59.144 60.524 -1.380 25924 3388 1 9 . 1 1 34 34 THR CB C 34 67.805 67.805 69.850 -2.045 25924 3389 1 9 . 1 1 34 34 THR H H 34 8.345 8.345 8.329 0.016 25924 3390 1 9 . 1 1 35 35 VAL N N 35 120.795 120.795 119.312 1.483 25924 3391 1 9 . 1 1 35 35 VAL HA H 35 4.492 4.492 4.623 -0.131 25924 3392 1 9 . 1 1 35 35 VAL C C 35 172.242 172.242 174.223 -1.981 25924 3393 1 9 . 1 1 35 35 VAL CA C 35 57.697 57.697 59.712 -2.015 25924 3394 1 9 . 1 1 35 35 VAL CB C 35 32.804 32.804 35.235 -2.431 25924 3395 1 9 . 1 1 35 35 VAL H H 35 8.134 8.134 8.377 -0.243 25924 3396 1 9 . 1 1 36 36 GLY N N 36 110.608 110.608 109.115 1.493 25924 3397 1 9 . 1 1 36 36 GLY C C 36 169.453 169.453 173.180 -3.727 25924 3398 1 9 . 1 1 36 36 GLY CA C 36 41.094 41.094 44.557 -3.463 25924 3399 1 9 . 1 1 36 36 GLY H H 36 8.229 8.229 8.466 -0.237 25924 3400 1 9 . 1 1 39 39 HIS HA H 39 4.631 4.631 4.303 0.328 25924 3401 1 9 . 1 1 39 39 HIS C C 39 172.140 172.140 175.143 -3.003 25924 3402 1 9 . 1 1 39 39 HIS CA C 39 53.584 53.584 58.312 -4.728 25924 3403 1 9 . 1 1 39 39 HIS CB C 39 27.736 27.736 29.995 -2.259 25924 3404 1 9 . 1 1 40 40 ALA N N 40 128.155 128.155 119.929 8.226 25924 3405 1 9 . 1 1 40 40 ALA HA H 40 4.422 4.422 4.305 0.117 25924 3406 1 9 . 1 1 40 40 ALA C C 40 171.693 171.693 177.054 -5.361 25924 3407 1 9 . 1 1 40 40 ALA CA C 40 48.979 48.979 51.765 -2.786 25924 3408 1 9 . 1 1 40 40 ALA CB C 40 15.335 15.335 19.816 -4.481 25924 3409 1 9 . 1 1 40 40 ALA H H 40 7.582 7.582 7.780 -0.198 25924 3410 1 9 . 1 1 41 41 ARG N N 41 122.997 122.997 120.332 2.665 25924 3411 1 9 . 1 1 41 41 ARG HA H 41 4.467 4.467 4.248 0.219 25924 3412 1 9 . 1 1 41 41 ARG C C 41 174.236 174.236 176.198 -1.962 25924 3413 1 9 . 1 1 41 41 ARG CA C 41 52.715 52.715 55.634 -2.919 25924 3414 1 9 . 1 1 41 41 ARG CB C 41 29.506 29.506 30.701 -1.195 25924 3415 1 9 . 1 1 41 41 ARG H H 41 8.090 8.090 8.434 -0.344 25924 3416 1 9 . 1 1 42 42 THR N N 42 116.202 116.202 113.439 2.763 25924 3417 1 9 . 1 1 42 42 THR HA H 42 4.448 4.448 4.873 -0.425 25924 3418 1 9 . 1 1 42 42 THR C C 42 171.192 171.192 172.666 -1.474 25924 3419 1 9 . 1 1 42 42 THR CA C 42 59.750 59.750 60.335 -0.585 25924 3420 1 9 . 1 1 42 42 THR CB C 42 67.917 67.917 71.753 -3.836 25924 3421 1 9 . 1 1 42 42 THR H H 42 8.572 8.572 8.469 0.103 25924 3422 1 9 . 1 1 43 43 TYR N N 43 127.687 127.687 120.749 6.938 25924 3423 1 9 . 1 1 43 43 TYR HA H 43 4.719 4.719 4.701 0.018 25924 3424 1 9 . 1 1 43 43 TYR C C 43 172.160 172.160 175.397 -3.237 25924 3425 1 9 . 1 1 43 43 TYR CA C 43 54.921 54.921 57.085 -2.164 25924 3426 1 9 . 1 1 43 43 TYR CB C 43 38.220 38.220 41.602 -3.382 25924 3427 1 9 . 1 1 43 43 TYR H H 43 9.255 9.255 9.104 0.151 25924 3428 1 9 . 1 1 44 44 THR N N 44 117.178 117.178 118.465 -1.287 25924 3429 1 9 . 1 1 44 44 THR HA H 44 5.162 5.162 4.735 0.427 25924 3430 1 9 . 1 1 44 44 THR C C 44 171.330 171.330 173.328 -1.998 25924 3431 1 9 . 1 1 44 44 THR CA C 44 59.299 59.299 61.898 -2.599 25924 3432 1 9 . 1 1 44 44 THR CB C 44 67.619 67.619 69.525 -1.906 25924 3433 1 9 . 1 1 44 44 THR H H 44 8.699 8.699 8.721 -0.022 25924 3434 1 9 . 1 1 45 45 VAL N N 45 128.199 128.199 121.000 7.199 25924 3435 1 9 . 1 1 45 45 VAL HA H 45 4.177 4.177 4.869 -0.692 25924 3436 1 9 . 1 1 45 45 VAL C C 45 169.635 169.635 173.215 -3.580 25924 3437 1 9 . 1 1 45 45 VAL CA C 45 57.558 57.558 59.135 -1.577 25924 3438 1 9 . 1 1 45 45 VAL CB C 45 32.829 32.829 35.781 -2.952 25924 3439 1 9 . 1 1 45 45 VAL H H 45 9.331 9.331 8.389 0.942 25924 3440 1 9 . 1 1 46 46 ALA N N 46 126.929 126.929 124.957 1.972 25924 3441 1 9 . 1 1 46 46 ALA HA H 46 5.260 5.260 5.110 0.150 25924 3442 1 9 . 1 1 46 46 ALA C C 46 171.973 171.973 175.753 -3.780 25924 3443 1 9 . 1 1 46 46 ALA CA C 46 46.865 46.865 51.329 -4.464 25924 3444 1 9 . 1 1 46 46 ALA CB C 46 21.198 21.198 21.441 -0.243 25924 3445 1 9 . 1 1 46 46 ALA H H 46 8.961 8.961 8.575 0.386 25924 3446 1 9 . 1 1 47 47 VAL N N 47 118.914 118.914 119.422 -0.508 25924 3447 1 9 . 1 1 47 47 VAL HA H 47 4.961 4.961 4.587 0.374 25924 3448 1 9 . 1 1 47 47 VAL C C 47 170.285 170.285 174.817 -4.532 25924 3449 1 9 . 1 1 47 47 VAL CA C 47 55.384 55.384 61.115 -5.731 25924 3450 1 9 . 1 1 47 47 VAL CB C 47 32.098 32.098 33.280 -1.182 25924 3451 1 9 . 1 1 47 47 VAL H H 47 8.248 8.248 7.940 0.308 25924 3452 1 9 . 1 1 48 48 TYR N N 48 126.815 126.815 119.583 7.232 25924 3453 1 9 . 1 1 48 48 TYR HA H 48 5.217 5.217 5.444 -0.227 25924 3454 1 9 . 1 1 48 48 TYR C C 48 172.504 172.504 173.421 -0.917 25924 3455 1 9 . 1 1 48 48 TYR CA C 48 53.610 53.610 55.165 -1.555 25924 3456 1 9 . 1 1 48 48 TYR CB C 48 40.339 40.339 41.934 -1.595 25924 3457 1 9 . 1 1 48 48 TYR H H 48 9.274 9.274 7.805 1.469 25924 3458 1 9 . 1 1 49 49 PHE N N 49 119.234 119.234 121.998 -2.764 25924 3459 1 9 . 1 1 49 49 PHE HA H 49 4.766 4.766 4.802 -0.036 25924 3460 1 9 . 1 1 49 49 PHE C C 49 172.390 172.390 175.369 -2.979 25924 3461 1 9 . 1 1 49 49 PHE CA C 49 54.128 54.128 57.586 -3.458 25924 3462 1 9 . 1 1 49 49 PHE CB C 49 40.240 40.240 42.566 -2.326 25924 3463 1 9 . 1 1 49 49 PHE H H 49 9.024 9.024 9.230 -0.206 25924 3464 1 9 . 1 1 50 50 LYS N N 50 128.064 128.064 127.715 0.349 25924 3465 1 9 . 1 1 50 50 LYS HA H 50 3.502 3.502 3.781 -0.279 25924 3466 1 9 . 1 1 50 50 LYS C C 50 173.659 173.659 176.072 -2.413 25924 3467 1 9 . 1 1 50 50 LYS CA C 50 54.906 54.906 56.565 -1.659 25924 3468 1 9 . 1 1 50 50 LYS CB C 50 26.726 26.726 31.391 -4.665 25924 3469 1 9 . 1 1 50 50 LYS H H 50 9.035 9.035 9.001 0.034 25924 3470 1 9 . 1 1 51 51 GLY N N 51 104.286 104.286 103.298 0.988 25924 3471 1 9 . 1 1 51 51 GLY C C 51 170.970 170.970 173.571 -2.601 25924 3472 1 9 . 1 1 51 51 GLY CA C 51 42.553 42.553 45.062 -2.509 25924 3473 1 9 . 1 1 51 51 GLY H H 51 8.893 8.893 8.696 0.197 25924 3474 1 9 . 1 1 52 52 GLU N N 52 121.087 121.087 119.779 1.308 25924 3475 1 9 . 1 1 52 52 GLU HA H 52 4.617 4.617 4.608 0.009 25924 3476 1 9 . 1 1 52 52 GLU C C 52 172.477 172.477 175.262 -2.785 25924 3477 1 9 . 1 1 52 52 GLU CA C 52 51.709 51.709 54.409 -2.700 25924 3478 1 9 . 1 1 52 52 GLU CB C 52 29.248 29.248 32.500 -3.252 25924 3479 1 9 . 1 1 52 52 GLU H H 52 7.710 7.710 7.546 0.164 25924 3480 1 9 . 1 1 53 53 ARG N N 53 126.720 126.720 125.493 1.227 25924 3481 1 9 . 1 1 53 53 ARG C C 53 173.977 173.977 176.201 -2.224 25924 3482 1 9 . 1 1 53 53 ARG CA C 53 54.250 54.250 58.118 -3.868 25924 3483 1 9 . 1 1 53 53 ARG CB C 53 27.373 27.373 30.416 -3.043 25924 3484 1 9 . 1 1 53 53 ARG H H 53 8.919 8.919 8.986 -0.067 25924 3485 1 9 . 1 1 54 54 ILE N N 54 122.215 122.215 123.397 -1.182 25924 3486 1 9 . 1 1 54 54 ILE HA H 54 4.549 4.549 4.353 0.196 25924 3487 1 9 . 1 1 54 54 ILE C C 54 172.161 172.161 173.976 -1.815 25924 3488 1 9 . 1 1 54 54 ILE CA C 54 58.807 58.807 60.453 -1.645 25924 3489 1 9 . 1 1 54 54 ILE CB C 54 37.207 37.207 39.900 -2.693 25924 3490 1 9 . 1 1 54 54 ILE H H 54 8.920 8.920 8.615 0.305 25924 3491 1 9 . 1 1 55 55 GLY N N 55 107.034 107.034 105.309 1.725 25924 3492 1 9 . 1 1 55 55 GLY C C 55 169.649 169.649 171.616 -1.967 25924 3493 1 9 . 1 1 55 55 GLY CA C 55 42.712 42.712 45.261 -2.549 25924 3494 1 9 . 1 1 55 55 GLY H H 55 7.233 7.233 7.676 -0.443 25924 3495 1 9 . 1 1 56 56 CYS N N 56 121.361 121.361 121.304 0.057 25924 3496 1 9 . 1 1 56 56 CYS HA H 56 5.264 5.264 5.235 0.029 25924 3497 1 9 . 1 1 56 56 CYS C C 56 169.550 169.550 174.022 -4.472 25924 3498 1 9 . 1 1 56 56 CYS CA C 56 53.638 53.638 57.862 -4.224 25924 3499 1 9 . 1 1 56 56 CYS CB C 56 40.291 40.291 29.739 10.552 25924 3500 1 9 . 1 1 56 56 CYS H H 56 9.739 9.739 8.280 1.459 25924 3501 1 9 . 1 1 57 57 GLY N N 57 113.662 113.662 115.441 -1.779 25924 3502 1 9 . 1 1 57 57 GLY C C 57 168.036 168.036 171.192 -3.156 25924 3503 1 9 . 1 1 57 57 GLY CA C 57 41.978 41.978 45.491 -3.513 25924 3504 1 9 . 1 1 57 57 GLY H H 57 9.408 9.408 8.770 0.638 25924 3505 1 9 . 1 1 58 58 LYS N N 58 117.565 117.565 118.192 -0.627 25924 3506 1 9 . 1 1 58 58 LYS HA H 58 5.981 5.981 5.368 0.613 25924 3507 1 9 . 1 1 58 58 LYS C C 58 174.185 174.185 175.189 -1.004 25924 3508 1 9 . 1 1 58 58 LYS CA C 58 51.418 51.418 54.813 -3.395 25924 3509 1 9 . 1 1 58 58 LYS CB C 58 34.533 34.533 36.317 -1.784 25924 3510 1 9 . 1 1 58 58 LYS H H 58 8.427 8.427 8.327 0.100 25924 3511 1 9 . 1 1 59 59 GLY N N 59 106.060 106.060 107.649 -1.589 25924 3512 1 9 . 1 1 59 59 GLY C C 59 168.361 168.361 172.177 -3.816 25924 3513 1 9 . 1 1 59 59 GLY CA C 59 43.281 43.281 45.961 -2.679 25924 3514 1 9 . 1 1 59 59 GLY H H 59 8.534 8.534 8.111 0.423 25924 3515 1 9 . 1 1 60 60 PRO HA H 60 5.242 5.242 4.568 0.674 25924 3516 1 9 . 1 1 60 60 PRO C C 60 172.019 172.019 176.851 -4.832 25924 3517 1 9 . 1 1 60 60 PRO CA C 60 61.161 61.161 64.478 -3.317 25924 3518 1 9 . 1 1 60 60 PRO CB C 60 29.185 29.185 32.344 -3.159 25924 3519 1 9 . 1 1 61 61 SER N N 61 110.749 110.749 107.496 3.253 25924 3520 1 9 . 1 1 61 61 SER C C 61 170.857 170.857 174.300 -3.443 25924 3521 1 9 . 1 1 61 61 SER CA C 61 53.387 53.387 56.440 -3.053 25924 3522 1 9 . 1 1 61 61 SER CB C 61 63.795 63.795 64.880 -1.085 25924 3523 1 9 . 1 1 61 61 SER H H 61 7.289 7.289 7.303 -0.014 25924 3524 1 9 . 1 1 62 62 LYS HA H 62 3.155 3.155 3.987 -0.832 25924 3525 1 9 . 1 1 62 62 LYS C C 62 175.308 175.308 178.011 -2.703 25924 3526 1 9 . 1 1 62 62 LYS CA C 62 57.915 57.915 59.922 -2.007 25924 3527 1 9 . 1 1 62 62 LYS CB C 62 28.989 28.989 32.474 -3.485 25924 3528 1 9 . 1 1 63 63 LYS N N 63 118.188 118.188 117.872 0.316 25924 3529 1 9 . 1 1 63 63 LYS HA H 63 3.709 3.709 3.870 -0.161 25924 3530 1 9 . 1 1 63 63 LYS C C 63 175.856 175.856 178.727 -2.871 25924 3531 1 9 . 1 1 63 63 LYS CA C 63 57.097 57.097 59.402 -2.305 25924 3532 1 9 . 1 1 63 63 LYS CB C 63 29.746 29.746 31.596 -1.850 25924 3533 1 9 . 1 1 63 63 LYS H H 63 8.246 8.246 7.644 0.602 25924 3534 1 9 . 1 1 64 64 GLN N N 64 116.733 116.733 120.260 -3.527 25924 3535 1 9 . 1 1 64 64 GLN HA H 64 3.927 3.927 4.164 -0.237 25924 3536 1 9 . 1 1 64 64 GLN C C 64 176.277 176.277 178.478 -2.201 25924 3537 1 9 . 1 1 64 64 GLN CA C 64 56.240 56.240 58.000 -1.760 25924 3538 1 9 . 1 1 64 64 GLN CB C 64 26.506 26.506 28.022 -1.516 25924 3539 1 9 . 1 1 64 64 GLN H H 64 7.701 7.701 7.551 0.150 25924 3540 1 9 . 1 1 65 65 ALA N N 65 123.381 123.381 121.977 1.404 25924 3541 1 9 . 1 1 65 65 ALA HA H 65 3.726 3.726 4.139 -0.413 25924 3542 1 9 . 1 1 65 65 ALA C C 65 175.750 175.750 178.565 -2.815 25924 3543 1 9 . 1 1 65 65 ALA CA C 65 53.009 53.009 54.321 -1.312 25924 3544 1 9 . 1 1 65 65 ALA CB C 65 16.089 16.089 18.388 -2.299 25924 3545 1 9 . 1 1 65 65 ALA H H 65 7.933 7.933 8.412 -0.479 25924 3546 1 9 . 1 1 66 66 LYS N N 66 118.715 118.715 118.949 -0.234 25924 3547 1 9 . 1 1 66 66 LYS HA H 66 3.626 3.626 3.923 -0.297 25924 3548 1 9 . 1 1 66 66 LYS C C 66 175.275 175.275 178.571 -3.296 25924 3549 1 9 . 1 1 66 66 LYS CA C 66 57.658 57.658 59.364 -1.706 25924 3550 1 9 . 1 1 66 66 LYS CB C 66 30.268 30.268 31.719 -1.451 25924 3551 1 9 . 1 1 66 66 LYS H H 66 8.353 8.353 8.375 -0.022 25924 3552 1 9 . 1 1 67 67 MET N N 67 117.211 117.211 119.057 -1.846 25924 3553 1 9 . 1 1 67 67 MET HA H 67 3.821 3.821 4.173 -0.352 25924 3554 1 9 . 1 1 67 67 MET C C 67 175.660 175.660 178.566 -2.906 25924 3555 1 9 . 1 1 67 67 MET CA C 67 56.845 56.845 59.052 -2.207 25924 3556 1 9 . 1 1 67 67 MET CB C 67 29.950 29.950 32.379 -2.429 25924 3557 1 9 . 1 1 67 67 MET H H 67 8.011 8.011 7.627 0.384 25924 3558 1 9 . 1 1 68 68 GLY N N 68 105.985 105.985 106.805 -0.820 25924 3559 1 9 . 1 1 68 68 GLY C C 68 173.545 173.545 175.606 -2.061 25924 3560 1 9 . 1 1 68 68 GLY CA C 68 44.643 44.643 46.723 -2.080 25924 3561 1 9 . 1 1 68 68 GLY H H 68 8.094 8.094 7.922 0.172 25924 3562 1 9 . 1 1 69 69 ALA N N 69 127.579 127.579 125.295 2.284 25924 3563 1 9 . 1 1 69 69 ALA HA H 69 3.841 3.841 4.203 -0.362 25924 3564 1 9 . 1 1 69 69 ALA C C 69 175.840 175.840 179.454 -3.614 25924 3565 1 9 . 1 1 69 69 ALA CA C 69 52.512 52.512 54.692 -2.180 25924 3566 1 9 . 1 1 69 69 ALA CB C 69 15.069 15.069 18.513 -3.444 25924 3567 1 9 . 1 1 69 69 ALA H H 69 8.437 8.437 8.432 0.005 25924 3568 1 9 . 1 1 70 70 ALA N N 70 119.968 119.968 121.427 -1.459 25924 3569 1 9 . 1 1 70 70 ALA HA H 70 4.003 4.003 3.939 0.064 25924 3570 1 9 . 1 1 70 70 ALA C C 70 176.847 176.847 179.094 -2.247 25924 3571 1 9 . 1 1 70 70 ALA CA C 70 52.759 52.759 54.966 -2.207 25924 3572 1 9 . 1 1 70 70 ALA CB C 70 15.297 15.297 18.413 -3.116 25924 3573 1 9 . 1 1 70 70 ALA H H 70 8.219 8.219 8.337 -0.118 25924 3574 1 9 . 1 1 71 71 MET N N 71 115.754 115.754 118.086 -2.332 25924 3575 1 9 . 1 1 71 71 MET HA H 71 4.010 4.010 4.043 -0.033 25924 3576 1 9 . 1 1 71 71 MET C C 71 175.596 175.596 177.701 -2.105 25924 3577 1 9 . 1 1 71 71 MET CA C 71 56.613 56.613 58.892 -2.280 25924 3578 1 9 . 1 1 71 71 MET CB C 71 30.407 30.407 32.594 -2.187 25924 3579 1 9 . 1 1 71 71 MET H H 71 8.294 8.294 8.183 0.111 25924 3580 1 9 . 1 1 72 72 ASP N N 72 120.287 120.287 119.988 0.299 25924 3581 1 9 . 1 1 72 72 ASP HA H 72 4.389 4.389 4.518 -0.129 25924 3582 1 9 . 1 1 72 72 ASP C C 72 175.052 175.052 177.962 -2.910 25924 3583 1 9 . 1 1 72 72 ASP CA C 72 54.995 54.995 57.694 -2.699 25924 3584 1 9 . 1 1 72 72 ASP CB C 72 40.461 40.461 40.888 -0.427 25924 3585 1 9 . 1 1 72 72 ASP H H 72 8.045 8.045 8.155 -0.110 25924 3586 1 9 . 1 1 73 73 ALA N N 73 119.640 119.640 123.157 -3.517 25924 3587 1 9 . 1 1 73 73 ALA HA H 73 4.188 4.188 4.189 -0.001 25924 3588 1 9 . 1 1 73 73 ALA C C 73 177.251 177.251 179.735 -2.484 25924 3589 1 9 . 1 1 73 73 ALA CA C 73 52.041 52.041 55.073 -3.032 25924 3590 1 9 . 1 1 73 73 ALA CB C 73 16.473 16.473 18.509 -2.036 25924 3591 1 9 . 1 1 73 73 ALA H H 73 8.028 8.028 7.615 0.413 25924 3592 1 9 . 1 1 74 74 LEU N N 74 117.010 117.010 118.619 -1.609 25924 3593 1 9 . 1 1 74 74 LEU HA H 74 3.992 3.992 4.012 -0.020 25924 3594 1 9 . 1 1 74 74 LEU C C 74 176.643 176.643 179.440 -2.797 25924 3595 1 9 . 1 1 74 74 LEU CA C 74 55.519 55.519 57.782 -2.264 25924 3596 1 9 . 1 1 74 74 LEU CB C 74 39.698 39.698 40.908 -1.210 25924 3597 1 9 . 1 1 74 74 LEU H H 74 8.397 8.397 7.869 0.528 25924 3598 1 9 . 1 1 75 75 GLU N N 75 117.709 117.709 118.916 -1.207 25924 3599 1 9 . 1 1 75 75 GLU HA H 75 4.109 4.109 4.103 0.006 25924 3600 1 9 . 1 1 75 75 GLU C C 75 175.976 175.976 178.255 -2.279 25924 3601 1 9 . 1 1 75 75 GLU CA C 75 55.916 55.916 58.749 -2.833 25924 3602 1 9 . 1 1 75 75 GLU CB C 75 27.425 27.425 29.999 -2.574 25924 3603 1 9 . 1 1 75 75 GLU H H 75 7.812 7.812 8.130 -0.318 25924 3604 1 9 . 1 1 76 76 LYS N N 76 117.440 117.440 116.506 0.934 25924 3605 1 9 . 1 1 76 76 LYS HA H 76 4.140 4.140 4.237 -0.097 25924 3606 1 9 . 1 1 76 76 LYS C C 76 174.882 174.882 177.130 -2.248 25924 3607 1 9 . 1 1 76 76 LYS CA C 76 55.187 55.187 56.336 -1.149 25924 3608 1 9 . 1 1 76 76 LYS CB C 76 31.270 31.270 33.251 -1.981 25924 3609 1 9 . 1 1 76 76 LYS H H 76 7.892 7.892 8.054 -0.162 25924 3610 1 9 . 1 1 77 77 TYR N N 77 120.225 120.225 119.293 0.932 25924 3611 1 9 . 1 1 77 77 TYR HA H 77 4.044 4.044 4.007 0.037 25924 3612 1 9 . 1 1 77 77 TYR C C 77 172.041 172.041 173.877 -1.836 25924 3613 1 9 . 1 1 77 77 TYR CA C 77 56.878 56.878 58.738 -1.860 25924 3614 1 9 . 1 1 77 77 TYR CB C 77 35.852 35.852 36.214 -0.362 25924 3615 1 9 . 1 1 77 77 TYR H H 77 8.149 8.149 8.277 -0.128 25924 3616 1 9 . 1 1 78 78 ASN N N 78 121.088 121.088 118.139 2.949 25924 3617 1 9 . 1 1 78 78 ASN HA H 78 4.537 4.537 4.671 -0.134 25924 3618 1 9 . 1 1 78 78 ASN C C 78 171.116 171.116 175.321 -4.205 25924 3619 1 9 . 1 1 78 78 ASN CA C 78 49.866 49.866 52.986 -3.120 25924 3620 1 9 . 1 1 78 78 ASN CB C 78 35.302 35.302 39.028 -3.726 25924 3621 1 9 . 1 1 78 78 ASN H H 78 7.436 7.436 8.115 -0.679 25924 3622 1 9 . 1 1 79 79 PHE N N 79 122.211 122.211 123.711 -1.500 25924 3623 1 9 . 1 1 79 79 PHE C C 79 171.220 171.220 175.845 -4.625 25924 3624 1 9 . 1 1 79 79 PHE CA C 79 54.195 54.195 56.217 -2.022 25924 3625 1 9 . 1 1 79 79 PHE CB C 79 35.969 35.969 38.791 -2.822 25924 3626 1 9 . 1 1 79 79 PHE H H 79 7.901 7.901 8.532 -0.631 25924 3627 1 9 . 1 1 80 80 PRO HA H 80 4.367 4.367 4.477 -0.110 25924 3628 1 9 . 1 1 80 80 PRO C C 80 173.721 173.721 176.780 -3.059 25924 3629 1 9 . 1 1 80 80 PRO CA C 80 60.634 60.634 63.837 -3.203 25924 3630 1 9 . 1 1 80 80 PRO CB C 80 29.356 29.356 32.360 -3.004 25924 3631 1 9 . 1 1 81 81 GLN N N 81 120.432 120.432 118.276 2.156 25924 3632 1 9 . 1 1 81 81 GLN HA H 81 4.232 4.232 4.369 -0.137 25924 3633 1 9 . 1 1 81 81 GLN C C 81 172.475 172.475 175.056 -2.581 25924 3634 1 9 . 1 1 81 81 GLN CA C 81 53.216 53.216 56.011 -2.796 25924 3635 1 9 . 1 1 81 81 GLN CB C 81 26.823 26.823 29.447 -2.624 25924 3636 1 9 . 1 1 81 81 GLN H H 81 8.347 8.347 8.142 0.205 25924 3637 1 10 . 1 1 6 6 PRO HA H 6 4.233 4.233 4.421 -0.188 25924 3638 1 10 . 1 1 6 6 PRO C C 6 174.849 174.849 178.197 -3.348 25924 3639 1 10 . 1 1 6 6 PRO CA C 6 62.494 62.494 62.038 0.456 25924 3640 1 10 . 1 1 6 6 PRO CB C 6 30.061 30.061 32.708 -2.647 25924 3641 1 10 . 1 1 7 7 ILE N N 7 118.341 118.341 119.560 -1.219 25924 3642 1 10 . 1 1 7 7 ILE HA H 7 3.556 3.556 3.815 -0.259 25924 3643 1 10 . 1 1 7 7 ILE C C 7 177.294 177.294 177.833 -0.539 25924 3644 1 10 . 1 1 7 7 ILE CA C 7 62.546 62.546 62.689 -0.143 25924 3645 1 10 . 1 1 7 7 ILE CB C 7 34.984 34.984 36.987 -2.003 25924 3646 1 10 . 1 1 7 7 ILE H H 7 7.420 7.420 8.539 -1.119 25924 3647 1 10 . 1 1 8 8 SER N N 8 118.043 118.043 115.547 2.496 25924 3648 1 10 . 1 1 8 8 SER HA H 8 4.140 4.140 4.137 0.003 25924 3649 1 10 . 1 1 8 8 SER C C 8 174.216 174.216 176.377 -2.161 25924 3650 1 10 . 1 1 8 8 SER CA C 8 58.686 58.686 61.268 -2.582 25924 3651 1 10 . 1 1 8 8 SER CB C 8 59.913 59.913 62.529 -2.616 25924 3652 1 10 . 1 1 8 8 SER H H 8 7.867 7.867 8.457 -0.590 25924 3653 1 10 . 1 1 9 9 GLN N N 9 121.528 121.528 121.503 0.025 25924 3654 1 10 . 1 1 9 9 GLN HA H 9 3.894 3.894 4.090 -0.196 25924 3655 1 10 . 1 1 9 9 GLN C C 9 175.750 175.750 178.035 -2.285 25924 3656 1 10 . 1 1 9 9 GLN CA C 9 56.418 56.418 58.665 -2.247 25924 3657 1 10 . 1 1 9 9 GLN CB C 9 26.763 26.763 28.225 -1.462 25924 3658 1 10 . 1 1 9 9 GLN H H 9 8.384 8.384 7.657 0.727 25924 3659 1 10 . 1 1 10 10 LEU N N 10 120.026 120.026 120.768 -0.742 25924 3660 1 10 . 1 1 10 10 LEU HA H 10 3.903 3.903 4.001 -0.098 25924 3661 1 10 . 1 1 10 10 LEU C C 10 174.336 174.336 178.729 -4.393 25924 3662 1 10 . 1 1 10 10 LEU CA C 10 55.816 55.816 57.965 -2.149 25924 3663 1 10 . 1 1 10 10 LEU CB C 10 38.168 38.168 41.065 -2.897 25924 3664 1 10 . 1 1 10 10 LEU H H 10 8.357 8.357 7.936 0.421 25924 3665 1 10 . 1 1 11 11 GLN N N 11 116.550 116.550 118.375 -1.825 25924 3666 1 10 . 1 1 11 11 GLN HA H 11 3.591 3.591 3.788 -0.197 25924 3667 1 10 . 1 1 11 11 GLN C C 11 175.196 175.196 178.162 -2.966 25924 3668 1 10 . 1 1 11 11 GLN CA C 11 57.729 57.729 59.318 -1.589 25924 3669 1 10 . 1 1 11 11 GLN CB C 11 20.954 20.954 28.530 -7.576 25924 3670 1 10 . 1 1 11 11 GLN H H 11 7.445 7.445 7.775 -0.330 25924 3671 1 10 . 1 1 12 12 GLN N N 12 116.948 116.948 120.204 -3.256 25924 3672 1 10 . 1 1 12 12 GLN HA H 12 3.940 3.940 3.991 -0.051 25924 3673 1 10 . 1 1 12 12 GLN C C 12 176.463 176.463 178.071 -1.608 25924 3674 1 10 . 1 1 12 12 GLN CA C 12 56.111 56.111 59.290 -3.179 25924 3675 1 10 . 1 1 12 12 GLN CB C 12 25.406 25.406 28.655 -3.249 25924 3676 1 10 . 1 1 12 12 GLN H H 12 8.159 8.159 8.711 -0.552 25924 3677 1 10 . 1 1 13 13 CYS N N 13 119.104 119.104 119.007 0.097 25924 3678 1 10 . 1 1 13 13 CYS HA H 13 4.246 4.246 4.030 0.216 25924 3679 1 10 . 1 1 13 13 CYS C C 13 174.884 174.884 177.047 -2.163 25924 3680 1 10 . 1 1 13 13 CYS CA C 13 55.688 55.688 63.659 -7.971 25924 3681 1 10 . 1 1 13 13 CYS CB C 13 36.819 36.819 27.744 9.075 25924 3682 1 10 . 1 1 13 13 CYS H H 13 8.255 8.255 8.109 0.146 25924 3683 1 10 . 1 1 14 14 CYS N N 14 119.738 119.738 117.410 2.328 25924 3684 1 10 . 1 1 14 14 CYS HA H 14 3.872 3.872 4.092 -0.220 25924 3685 1 10 . 1 1 14 14 CYS C C 14 174.825 174.825 176.319 -1.494 25924 3686 1 10 . 1 1 14 14 CYS CA C 14 59.649 59.649 64.073 -4.424 25924 3687 1 10 . 1 1 14 14 CYS CB C 14 30.799 30.799 27.494 3.305 25924 3688 1 10 . 1 1 14 14 CYS H H 14 8.472 8.472 7.703 0.769 25924 3689 1 10 . 1 1 15 15 LEU N N 15 120.206 120.206 118.541 1.665 25924 3690 1 10 . 1 1 15 15 LEU HA H 15 4.164 4.164 4.251 -0.087 25924 3691 1 10 . 1 1 15 15 LEU C C 15 176.334 176.334 178.593 -2.259 25924 3692 1 10 . 1 1 15 15 LEU CA C 15 55.008 55.008 57.591 -2.583 25924 3693 1 10 . 1 1 15 15 LEU CB C 15 39.276 39.276 42.053 -2.777 25924 3694 1 10 . 1 1 15 15 LEU H H 15 7.875 7.875 7.803 0.072 25924 3695 1 10 . 1 1 16 16 THR N N 16 111.015 111.015 112.314 -1.299 25924 3696 1 10 . 1 1 16 16 THR HA H 16 4.188 4.188 4.230 -0.042 25924 3697 1 10 . 1 1 16 16 THR C C 16 172.543 172.543 174.871 -2.328 25924 3698 1 10 . 1 1 16 16 THR CA C 16 61.556 61.556 64.230 -2.674 25924 3699 1 10 . 1 1 16 16 THR CB C 16 67.074 67.074 69.291 -2.217 25924 3700 1 10 . 1 1 16 16 THR H H 16 7.636 7.636 7.818 -0.182 25924 3701 1 10 . 1 1 17 17 LEU N N 17 121.097 121.097 124.337 -3.240 25924 3702 1 10 . 1 1 17 17 LEU HA H 17 4.366 4.366 4.260 0.106 25924 3703 1 10 . 1 1 17 17 LEU C C 17 174.215 174.215 176.103 -1.888 25924 3704 1 10 . 1 1 17 17 LEU CA C 17 52.269 52.269 54.690 -2.421 25924 3705 1 10 . 1 1 17 17 LEU CB C 17 39.018 39.018 42.412 -3.394 25924 3706 1 10 . 1 1 17 17 LEU H H 17 7.364 7.364 7.509 -0.145 25924 3707 1 10 . 1 1 18 18 ARG N N 18 120.709 120.709 127.128 -6.419 25924 3708 1 10 . 1 1 18 18 ARG HA H 18 4.371 4.371 4.332 0.039 25924 3709 1 10 . 1 1 18 18 ARG C C 18 173.362 173.362 175.795 -2.433 25924 3710 1 10 . 1 1 18 18 ARG CA C 18 53.709 53.709 56.897 -3.188 25924 3711 1 10 . 1 1 18 18 ARG CB C 18 28.038 28.038 30.513 -2.475 25924 3712 1 10 . 1 1 18 18 ARG H H 18 7.555 7.555 8.497 -0.942 25924 3713 1 10 . 1 1 19 19 THR N N 19 118.668 118.668 120.173 -1.505 25924 3714 1 10 . 1 1 19 19 THR HA H 19 4.387 4.387 4.527 -0.140 25924 3715 1 10 . 1 1 19 19 THR C C 19 171.580 171.580 174.747 -3.167 25924 3716 1 10 . 1 1 19 19 THR CA C 19 58.936 58.936 61.883 -2.947 25924 3717 1 10 . 1 1 19 19 THR CB C 19 67.672 67.672 69.711 -2.039 25924 3718 1 10 . 1 1 19 19 THR H H 19 8.540 8.540 8.464 0.076 25924 3719 1 10 . 1 1 20 20 GLU N N 20 124.039 124.039 127.716 -3.677 25924 3720 1 10 . 1 1 20 20 GLU HA H 20 4.075 4.075 4.212 -0.137 25924 3721 1 10 . 1 1 20 20 GLU C C 20 174.446 174.446 177.400 -2.954 25924 3722 1 10 . 1 1 20 20 GLU CA C 20 54.949 54.949 57.567 -2.618 25924 3723 1 10 . 1 1 20 20 GLU CB C 20 26.872 26.872 29.801 -2.929 25924 3724 1 10 . 1 1 20 20 GLU H H 20 8.586 8.586 8.913 -0.327 25924 3725 1 10 . 1 1 21 21 GLY N N 21 111.169 111.169 112.545 -1.376 25924 3726 1 10 . 1 1 21 21 GLY C C 21 171.105 171.105 174.232 -3.127 25924 3727 1 10 . 1 1 21 21 GLY CA C 21 42.662 42.662 45.161 -2.499 25924 3728 1 10 . 1 1 21 21 GLY H H 21 8.552 8.552 8.771 -0.219 25924 3729 1 10 . 1 1 22 22 LYS N N 22 119.376 119.376 121.376 -2.000 25924 3730 1 10 . 1 1 22 22 LYS HA H 22 4.453 4.453 4.646 -0.193 25924 3731 1 10 . 1 1 22 22 LYS C C 22 173.525 173.525 174.884 -1.359 25924 3732 1 10 . 1 1 22 22 LYS CA C 22 52.416 52.416 54.833 -2.417 25924 3733 1 10 . 1 1 22 22 LYS CB C 22 31.336 31.336 35.271 -3.935 25924 3734 1 10 . 1 1 22 22 LYS H H 22 7.798 7.798 7.598 0.200 25924 3735 1 10 . 1 1 23 23 GLU N N 23 122.631 122.631 122.987 -0.356 25924 3736 1 10 . 1 1 23 23 GLU C C 23 172.069 172.069 175.292 -3.223 25924 3737 1 10 . 1 1 23 23 GLU CA C 23 51.739 51.739 54.766 -3.027 25924 3738 1 10 . 1 1 23 23 GLU CB C 23 26.486 26.486 28.999 -2.513 25924 3739 1 10 . 1 1 24 24 PRO HA H 24 4.402 4.402 4.229 0.173 25924 3740 1 10 . 1 1 24 24 PRO C C 24 173.547 173.547 175.835 -2.288 25924 3741 1 10 . 1 1 24 24 PRO CA C 24 60.521 60.521 63.769 -3.248 25924 3742 1 10 . 1 1 24 24 PRO CB C 24 29.522 29.522 31.937 -2.415 25924 3743 1 10 . 1 1 25 25 ASP N N 25 121.674 121.674 118.412 3.262 25924 3744 1 10 . 1 1 25 25 ASP HA H 25 4.657 4.657 4.981 -0.324 25924 3745 1 10 . 1 1 25 25 ASP C C 25 171.891 171.891 174.767 -2.876 25924 3746 1 10 . 1 1 25 25 ASP CA C 25 53.718 53.718 53.628 0.090 25924 3747 1 10 . 1 1 25 25 ASP CB C 25 40.677 40.677 44.764 -4.087 25924 3748 1 10 . 1 1 25 25 ASP H H 25 8.232 8.232 8.519 -0.287 25924 3749 1 10 . 1 1 26 26 ILE N N 26 116.402 116.402 116.708 -0.306 25924 3750 1 10 . 1 1 26 26 ILE C C 26 171.291 171.291 174.003 -2.712 25924 3751 1 10 . 1 1 26 26 ILE CA C 26 55.315 55.315 57.687 -2.372 25924 3752 1 10 . 1 1 26 26 ILE CB C 26 37.365 37.365 39.259 -1.894 25924 3753 1 10 . 1 1 26 26 ILE H H 26 8.108 8.108 8.078 0.030 25924 3754 1 10 . 1 1 27 27 PRO HA H 27 4.723 4.723 4.467 0.256 25924 3755 1 10 . 1 1 27 27 PRO C C 27 172.234 172.234 175.989 -3.755 25924 3756 1 10 . 1 1 27 27 PRO CA C 27 60.676 60.676 62.590 -1.915 25924 3757 1 10 . 1 1 27 27 PRO CB C 27 29.510 29.510 32.134 -2.624 25924 3758 1 10 . 1 1 28 28 LEU N N 28 124.504 124.504 118.693 5.811 25924 3759 1 10 . 1 1 28 28 LEU HA H 28 4.712 4.712 4.661 0.051 25924 3760 1 10 . 1 1 28 28 LEU C C 28 172.463 172.463 175.730 -3.267 25924 3761 1 10 . 1 1 28 28 LEU CA C 28 50.999 50.999 54.421 -3.422 25924 3762 1 10 . 1 1 28 28 LEU CB C 28 42.433 42.433 43.511 -1.078 25924 3763 1 10 . 1 1 28 28 LEU H H 28 8.477 8.477 7.929 0.548 25924 3764 1 10 . 1 1 29 29 TYR N N 29 123.137 123.137 125.198 -2.061 25924 3765 1 10 . 1 1 29 29 TYR HA H 29 5.285 5.285 4.641 0.644 25924 3766 1 10 . 1 1 29 29 TYR C C 29 173.614 173.614 175.519 -1.905 25924 3767 1 10 . 1 1 29 29 TYR CA C 29 54.959 54.959 57.779 -2.820 25924 3768 1 10 . 1 1 29 29 TYR CB C 29 37.328 37.328 38.616 -1.288 25924 3769 1 10 . 1 1 29 29 TYR H H 29 8.907 8.907 8.351 0.556 25924 3770 1 10 . 1 1 30 30 LYS N N 30 122.426 122.426 124.612 -2.186 25924 3771 1 10 . 1 1 30 30 LYS C C 30 172.500 172.500 175.691 -3.191 25924 3772 1 10 . 1 1 30 30 LYS CA C 30 52.399 52.399 54.476 -2.077 25924 3773 1 10 . 1 1 30 30 LYS CB C 30 34.086 34.086 35.228 -1.142 25924 3774 1 10 . 1 1 30 30 LYS H H 30 9.344 9.344 8.557 0.787 25924 3775 1 10 . 1 1 31 31 THR HA H 31 4.510 4.510 4.859 -0.349 25924 3776 1 10 . 1 1 31 31 THR CA C 31 60.787 60.787 61.194 -0.407 25924 3777 1 10 . 1 1 32 32 LEU N N 32 129.198 129.198 122.400 6.798 25924 3778 1 10 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.955 -0.515 25924 3779 1 10 . 1 1 32 32 LEU C C 32 174.368 174.368 175.820 -1.452 25924 3780 1 10 . 1 1 32 32 LEU CA C 32 52.683 52.683 54.865 -2.182 25924 3781 1 10 . 1 1 32 32 LEU CB C 32 40.207 40.207 42.837 -2.630 25924 3782 1 10 . 1 1 32 32 LEU H H 32 9.019 9.019 8.950 0.069 25924 3783 1 10 . 1 1 33 33 GLN N N 33 115.992 115.992 119.668 -3.676 25924 3784 1 10 . 1 1 33 33 GLN C C 33 171.615 171.615 173.618 -2.003 25924 3785 1 10 . 1 1 33 33 GLN CA C 33 53.264 53.264 55.912 -2.648 25924 3786 1 10 . 1 1 33 33 GLN CB C 33 28.844 28.844 32.871 -4.027 25924 3787 1 10 . 1 1 33 33 GLN H H 33 7.689 7.689 7.840 -0.151 25924 3788 1 10 . 1 1 34 34 THR N N 34 119.608 119.608 117.088 2.520 25924 3789 1 10 . 1 1 34 34 THR HA H 34 4.489 4.489 5.179 -0.690 25924 3790 1 10 . 1 1 34 34 THR C C 34 170.622 170.622 173.359 -2.737 25924 3791 1 10 . 1 1 34 34 THR CA C 34 59.144 59.144 60.220 -1.076 25924 3792 1 10 . 1 1 34 34 THR CB C 34 67.805 67.805 70.346 -2.541 25924 3793 1 10 . 1 1 34 34 THR H H 34 8.345 8.345 8.331 0.014 25924 3794 1 10 . 1 1 35 35 VAL N N 35 120.795 120.795 125.317 -4.522 25924 3795 1 10 . 1 1 35 35 VAL HA H 35 4.492 4.492 4.366 0.126 25924 3796 1 10 . 1 1 35 35 VAL C C 35 172.242 172.242 175.204 -2.962 25924 3797 1 10 . 1 1 35 35 VAL CA C 35 57.697 57.697 60.519 -2.821 25924 3798 1 10 . 1 1 35 35 VAL CB C 35 32.804 32.804 35.111 -2.307 25924 3799 1 10 . 1 1 35 35 VAL H H 35 8.134 8.134 8.797 -0.663 25924 3800 1 10 . 1 1 36 36 GLY N N 36 110.608 110.608 109.686 0.922 25924 3801 1 10 . 1 1 36 36 GLY C C 36 169.453 169.453 172.802 -3.349 25924 3802 1 10 . 1 1 36 36 GLY CA C 36 41.094 41.094 44.270 -3.175 25924 3803 1 10 . 1 1 36 36 GLY H H 36 8.229 8.229 8.531 -0.302 25924 3804 1 10 . 1 1 39 39 HIS HA H 39 4.631 4.631 4.540 0.091 25924 3805 1 10 . 1 1 39 39 HIS C C 39 172.140 172.140 175.195 -3.055 25924 3806 1 10 . 1 1 39 39 HIS CA C 39 53.584 53.584 56.119 -2.535 25924 3807 1 10 . 1 1 39 39 HIS CB C 39 27.736 27.736 30.493 -2.757 25924 3808 1 10 . 1 1 40 40 ALA N N 40 128.155 128.155 123.408 4.747 25924 3809 1 10 . 1 1 40 40 ALA HA H 40 4.422 4.422 4.358 0.064 25924 3810 1 10 . 1 1 40 40 ALA C C 40 171.693 171.693 176.166 -4.473 25924 3811 1 10 . 1 1 40 40 ALA CA C 40 48.979 48.979 51.762 -2.783 25924 3812 1 10 . 1 1 40 40 ALA CB C 40 15.335 15.335 18.662 -3.326 25924 3813 1 10 . 1 1 40 40 ALA H H 40 7.582 7.582 8.492 -0.910 25924 3814 1 10 . 1 1 41 41 ARG N N 41 122.997 122.997 126.785 -3.788 25924 3815 1 10 . 1 1 41 41 ARG HA H 41 4.467 4.467 4.699 -0.232 25924 3816 1 10 . 1 1 41 41 ARG C C 41 174.236 174.236 175.764 -1.528 25924 3817 1 10 . 1 1 41 41 ARG CA C 41 52.715 52.715 56.095 -3.380 25924 3818 1 10 . 1 1 41 41 ARG CB C 41 29.506 29.506 31.131 -1.625 25924 3819 1 10 . 1 1 41 41 ARG H H 41 8.090 8.090 8.575 -0.485 25924 3820 1 10 . 1 1 42 42 THR N N 42 116.202 116.202 117.440 -1.238 25924 3821 1 10 . 1 1 42 42 THR HA H 42 4.448 4.448 4.996 -0.548 25924 3822 1 10 . 1 1 42 42 THR C C 42 171.192 171.192 172.841 -1.649 25924 3823 1 10 . 1 1 42 42 THR CA C 42 59.750 59.750 59.893 -0.143 25924 3824 1 10 . 1 1 42 42 THR CB C 42 67.917 67.917 71.730 -3.813 25924 3825 1 10 . 1 1 42 42 THR H H 42 8.572 8.572 8.697 -0.125 25924 3826 1 10 . 1 1 43 43 TYR N N 43 127.687 127.687 121.543 6.144 25924 3827 1 10 . 1 1 43 43 TYR HA H 43 4.719 4.719 4.925 -0.206 25924 3828 1 10 . 1 1 43 43 TYR C C 43 172.160 172.160 176.247 -4.087 25924 3829 1 10 . 1 1 43 43 TYR CA C 43 54.921 54.921 56.704 -1.783 25924 3830 1 10 . 1 1 43 43 TYR CB C 43 38.220 38.220 41.612 -3.393 25924 3831 1 10 . 1 1 43 43 TYR H H 43 9.255 9.255 9.486 -0.232 25924 3832 1 10 . 1 1 44 44 THR N N 44 117.178 117.178 114.080 3.098 25924 3833 1 10 . 1 1 44 44 THR HA H 44 5.162 5.162 5.089 0.073 25924 3834 1 10 . 1 1 44 44 THR C C 44 171.330 171.330 173.187 -1.857 25924 3835 1 10 . 1 1 44 44 THR CA C 44 59.299 59.299 60.778 -1.479 25924 3836 1 10 . 1 1 44 44 THR CB C 44 67.619 67.619 70.778 -3.159 25924 3837 1 10 . 1 1 44 44 THR H H 44 8.699 8.699 8.619 0.080 25924 3838 1 10 . 1 1 45 45 VAL N N 45 128.199 128.199 123.082 5.117 25924 3839 1 10 . 1 1 45 45 VAL HA H 45 4.177 4.177 4.558 -0.381 25924 3840 1 10 . 1 1 45 45 VAL C C 45 169.635 169.635 172.969 -3.334 25924 3841 1 10 . 1 1 45 45 VAL CA C 45 57.558 57.558 59.578 -2.020 25924 3842 1 10 . 1 1 45 45 VAL CB C 45 32.829 32.829 35.626 -2.797 25924 3843 1 10 . 1 1 45 45 VAL H H 45 9.331 9.331 8.401 0.930 25924 3844 1 10 . 1 1 46 46 ALA N N 46 126.929 126.929 130.467 -3.538 25924 3845 1 10 . 1 1 46 46 ALA HA H 46 5.260 5.260 5.103 0.157 25924 3846 1 10 . 1 1 46 46 ALA C C 46 171.973 171.973 175.697 -3.724 25924 3847 1 10 . 1 1 46 46 ALA CA C 46 46.865 46.865 50.337 -3.472 25924 3848 1 10 . 1 1 46 46 ALA CB C 46 21.198 21.198 21.098 0.100 25924 3849 1 10 . 1 1 46 46 ALA H H 46 8.961 8.961 8.348 0.613 25924 3850 1 10 . 1 1 47 47 VAL N N 47 118.914 118.914 124.457 -5.543 25924 3851 1 10 . 1 1 47 47 VAL HA H 47 4.961 4.961 4.079 0.882 25924 3852 1 10 . 1 1 47 47 VAL C C 47 170.285 170.285 175.098 -4.813 25924 3853 1 10 . 1 1 47 47 VAL CA C 47 55.384 55.384 61.679 -6.295 25924 3854 1 10 . 1 1 47 47 VAL CB C 47 32.098 32.098 33.251 -1.153 25924 3855 1 10 . 1 1 47 47 VAL H H 47 8.248 8.248 8.186 0.062 25924 3856 1 10 . 1 1 48 48 TYR N N 48 126.815 126.815 125.013 1.802 25924 3857 1 10 . 1 1 48 48 TYR HA H 48 5.217 5.217 4.722 0.495 25924 3858 1 10 . 1 1 48 48 TYR C C 48 172.504 172.504 175.047 -2.543 25924 3859 1 10 . 1 1 48 48 TYR CA C 48 53.610 53.610 57.132 -3.522 25924 3860 1 10 . 1 1 48 48 TYR CB C 48 40.339 40.339 41.617 -1.278 25924 3861 1 10 . 1 1 48 48 TYR H H 48 9.274 9.274 8.408 0.866 25924 3862 1 10 . 1 1 49 49 PHE N N 49 119.234 119.234 121.989 -2.755 25924 3863 1 10 . 1 1 49 49 PHE HA H 49 4.766 4.766 4.922 -0.156 25924 3864 1 10 . 1 1 49 49 PHE C C 49 172.390 172.390 175.063 -2.673 25924 3865 1 10 . 1 1 49 49 PHE CA C 49 54.128 54.128 57.004 -2.876 25924 3866 1 10 . 1 1 49 49 PHE CB C 49 40.240 40.240 42.605 -2.365 25924 3867 1 10 . 1 1 49 49 PHE H H 49 9.024 9.024 9.177 -0.153 25924 3868 1 10 . 1 1 50 50 LYS N N 50 128.064 128.064 125.829 2.235 25924 3869 1 10 . 1 1 50 50 LYS HA H 50 3.502 3.502 3.783 -0.281 25924 3870 1 10 . 1 1 50 50 LYS C C 50 173.659 173.659 176.011 -2.352 25924 3871 1 10 . 1 1 50 50 LYS CA C 50 54.906 54.906 57.102 -2.196 25924 3872 1 10 . 1 1 50 50 LYS CB C 50 26.726 26.726 29.896 -3.170 25924 3873 1 10 . 1 1 50 50 LYS H H 50 9.035 9.035 8.733 0.302 25924 3874 1 10 . 1 1 51 51 GLY N N 51 104.286 104.286 103.035 1.251 25924 3875 1 10 . 1 1 51 51 GLY C C 51 170.970 170.970 173.813 -2.843 25924 3876 1 10 . 1 1 51 51 GLY CA C 51 42.553 42.553 44.840 -2.287 25924 3877 1 10 . 1 1 51 51 GLY H H 51 8.893 8.893 8.344 0.549 25924 3878 1 10 . 1 1 52 52 GLU N N 52 121.087 121.087 119.811 1.276 25924 3879 1 10 . 1 1 52 52 GLU HA H 52 4.617 4.617 4.584 0.033 25924 3880 1 10 . 1 1 52 52 GLU C C 52 172.477 172.477 175.659 -3.182 25924 3881 1 10 . 1 1 52 52 GLU CA C 52 51.709 51.709 54.604 -2.895 25924 3882 1 10 . 1 1 52 52 GLU CB C 52 29.248 29.248 32.589 -3.341 25924 3883 1 10 . 1 1 52 52 GLU H H 52 7.710 7.710 8.537 -0.827 25924 3884 1 10 . 1 1 53 53 ARG N N 53 126.720 126.720 124.507 2.213 25924 3885 1 10 . 1 1 53 53 ARG C C 53 173.977 173.977 177.027 -3.050 25924 3886 1 10 . 1 1 53 53 ARG CA C 53 54.250 54.250 57.060 -2.810 25924 3887 1 10 . 1 1 53 53 ARG CB C 53 27.373 27.373 30.416 -3.043 25924 3888 1 10 . 1 1 53 53 ARG H H 53 8.919 8.919 8.702 0.217 25924 3889 1 10 . 1 1 54 54 ILE N N 54 122.215 122.215 115.833 6.382 25924 3890 1 10 . 1 1 54 54 ILE HA H 54 4.549 4.549 4.657 -0.108 25924 3891 1 10 . 1 1 54 54 ILE C C 54 172.161 172.161 174.410 -2.249 25924 3892 1 10 . 1 1 54 54 ILE CA C 54 58.807 58.807 60.163 -1.356 25924 3893 1 10 . 1 1 54 54 ILE CB C 54 37.207 37.207 39.398 -2.191 25924 3894 1 10 . 1 1 54 54 ILE H H 54 8.920 8.920 8.077 0.843 25924 3895 1 10 . 1 1 55 55 GLY N N 55 107.034 107.034 107.682 -0.648 25924 3896 1 10 . 1 1 55 55 GLY C C 55 169.649 169.649 171.893 -2.244 25924 3897 1 10 . 1 1 55 55 GLY CA C 55 42.712 42.712 45.661 -2.950 25924 3898 1 10 . 1 1 55 55 GLY H H 55 7.233 7.233 7.567 -0.334 25924 3899 1 10 . 1 1 56 56 CYS N N 56 121.361 121.361 123.962 -2.601 25924 3900 1 10 . 1 1 56 56 CYS HA H 56 5.264 5.264 5.473 -0.209 25924 3901 1 10 . 1 1 56 56 CYS C C 56 169.550 169.550 173.899 -4.349 25924 3902 1 10 . 1 1 56 56 CYS CA C 56 53.638 53.638 57.782 -4.144 25924 3903 1 10 . 1 1 56 56 CYS CB C 56 40.291 40.291 29.219 11.072 25924 3904 1 10 . 1 1 56 56 CYS H H 56 9.739 9.739 8.310 1.429 25924 3905 1 10 . 1 1 57 57 GLY N N 57 113.662 113.662 115.366 -1.704 25924 3906 1 10 . 1 1 57 57 GLY C C 57 168.036 168.036 171.157 -3.121 25924 3907 1 10 . 1 1 57 57 GLY CA C 57 41.978 41.978 45.432 -3.454 25924 3908 1 10 . 1 1 57 57 GLY H H 57 9.408 9.408 8.591 0.817 25924 3909 1 10 . 1 1 58 58 LYS N N 58 117.565 117.565 117.936 -0.371 25924 3910 1 10 . 1 1 58 58 LYS HA H 58 5.981 5.981 5.559 0.422 25924 3911 1 10 . 1 1 58 58 LYS C C 58 174.185 174.185 175.304 -1.119 25924 3912 1 10 . 1 1 58 58 LYS CA C 58 51.418 51.418 54.588 -3.170 25924 3913 1 10 . 1 1 58 58 LYS CB C 58 34.533 34.533 36.295 -1.762 25924 3914 1 10 . 1 1 58 58 LYS H H 58 8.427 8.427 8.357 0.070 25924 3915 1 10 . 1 1 59 59 GLY N N 59 106.060 106.060 107.741 -1.681 25924 3916 1 10 . 1 1 59 59 GLY C C 59 168.361 168.361 172.536 -4.175 25924 3917 1 10 . 1 1 59 59 GLY CA C 59 43.281 43.281 45.722 -2.441 25924 3918 1 10 . 1 1 59 59 GLY H H 59 8.534 8.534 8.168 0.366 25924 3919 1 10 . 1 1 60 60 PRO HA H 60 5.242 5.242 4.876 0.366 25924 3920 1 10 . 1 1 60 60 PRO C C 60 172.019 172.019 176.126 -4.107 25924 3921 1 10 . 1 1 60 60 PRO CA C 60 61.161 61.161 63.730 -2.569 25924 3922 1 10 . 1 1 60 60 PRO CB C 60 29.185 29.185 32.362 -3.177 25924 3923 1 10 . 1 1 61 61 SER N N 61 110.749 110.749 110.716 0.033 25924 3924 1 10 . 1 1 61 61 SER C C 61 170.857 170.857 174.255 -3.398 25924 3925 1 10 . 1 1 61 61 SER CA C 61 53.387 53.387 57.066 -3.679 25924 3926 1 10 . 1 1 61 61 SER CB C 61 63.795 63.795 66.988 -3.193 25924 3927 1 10 . 1 1 61 61 SER H H 61 7.289 7.289 7.454 -0.165 25924 3928 1 10 . 1 1 62 62 LYS HA H 62 3.155 3.155 4.134 -0.979 25924 3929 1 10 . 1 1 62 62 LYS C C 62 175.308 175.308 177.810 -2.502 25924 3930 1 10 . 1 1 62 62 LYS CA C 62 57.915 57.915 58.714 -0.799 25924 3931 1 10 . 1 1 62 62 LYS CB C 62 28.989 28.989 32.392 -3.403 25924 3932 1 10 . 1 1 63 63 LYS N N 63 118.188 118.188 120.181 -1.993 25924 3933 1 10 . 1 1 63 63 LYS HA H 63 3.709 3.709 3.813 -0.104 25924 3934 1 10 . 1 1 63 63 LYS C C 63 175.856 175.856 179.252 -3.396 25924 3935 1 10 . 1 1 63 63 LYS CA C 63 57.097 57.097 59.272 -2.175 25924 3936 1 10 . 1 1 63 63 LYS CB C 63 29.746 29.746 31.958 -2.212 25924 3937 1 10 . 1 1 63 63 LYS H H 63 8.246 8.246 8.271 -0.025 25924 3938 1 10 . 1 1 64 64 GLN N N 64 116.733 116.733 118.644 -1.911 25924 3939 1 10 . 1 1 64 64 GLN HA H 64 3.927 3.927 4.048 -0.121 25924 3940 1 10 . 1 1 64 64 GLN C C 64 176.277 176.277 177.812 -1.535 25924 3941 1 10 . 1 1 64 64 GLN CA C 64 56.240 56.240 58.761 -2.521 25924 3942 1 10 . 1 1 64 64 GLN CB C 64 26.506 26.506 28.364 -1.858 25924 3943 1 10 . 1 1 64 64 GLN H H 64 7.701 7.701 8.346 -0.645 25924 3944 1 10 . 1 1 65 65 ALA N N 65 123.381 123.381 121.984 1.397 25924 3945 1 10 . 1 1 65 65 ALA HA H 65 3.726 3.726 4.017 -0.291 25924 3946 1 10 . 1 1 65 65 ALA C C 65 175.750 175.750 178.693 -2.943 25924 3947 1 10 . 1 1 65 65 ALA CA C 65 53.009 53.009 54.791 -1.782 25924 3948 1 10 . 1 1 65 65 ALA CB C 65 16.089 16.089 18.270 -2.181 25924 3949 1 10 . 1 1 65 65 ALA H H 65 7.933 7.933 7.735 0.198 25924 3950 1 10 . 1 1 66 66 LYS N N 66 118.715 118.715 118.878 -0.163 25924 3951 1 10 . 1 1 66 66 LYS HA H 66 3.626 3.626 3.941 -0.315 25924 3952 1 10 . 1 1 66 66 LYS C C 66 175.275 175.275 178.655 -3.380 25924 3953 1 10 . 1 1 66 66 LYS CA C 66 57.658 57.658 59.328 -1.670 25924 3954 1 10 . 1 1 66 66 LYS CB C 66 30.268 30.268 31.594 -1.326 25924 3955 1 10 . 1 1 66 66 LYS H H 66 8.353 8.353 7.649 0.704 25924 3956 1 10 . 1 1 67 67 MET N N 67 117.211 117.211 119.459 -2.248 25924 3957 1 10 . 1 1 67 67 MET HA H 67 3.821 3.821 4.108 -0.287 25924 3958 1 10 . 1 1 67 67 MET C C 67 175.660 175.660 178.416 -2.756 25924 3959 1 10 . 1 1 67 67 MET CA C 67 56.845 56.845 59.203 -2.358 25924 3960 1 10 . 1 1 67 67 MET CB C 67 29.950 29.950 32.452 -2.502 25924 3961 1 10 . 1 1 67 67 MET H H 67 8.011 8.011 7.689 0.322 25924 3962 1 10 . 1 1 68 68 GLY N N 68 105.985 105.985 106.226 -0.241 25924 3963 1 10 . 1 1 68 68 GLY C C 68 173.545 173.545 175.521 -1.976 25924 3964 1 10 . 1 1 68 68 GLY CA C 68 44.643 44.643 46.563 -1.920 25924 3965 1 10 . 1 1 68 68 GLY H H 68 8.094 8.094 7.750 0.344 25924 3966 1 10 . 1 1 69 69 ALA N N 69 127.579 127.579 125.741 1.838 25924 3967 1 10 . 1 1 69 69 ALA HA H 69 3.841 3.841 4.240 -0.399 25924 3968 1 10 . 1 1 69 69 ALA C C 69 175.840 175.840 179.332 -3.492 25924 3969 1 10 . 1 1 69 69 ALA CA C 69 52.512 52.512 54.886 -2.374 25924 3970 1 10 . 1 1 69 69 ALA CB C 69 15.069 15.069 18.455 -3.386 25924 3971 1 10 . 1 1 69 69 ALA H H 69 8.437 8.437 8.628 -0.191 25924 3972 1 10 . 1 1 70 70 ALA N N 70 119.968 119.968 122.130 -2.162 25924 3973 1 10 . 1 1 70 70 ALA HA H 70 4.003 4.003 4.359 -0.356 25924 3974 1 10 . 1 1 70 70 ALA C C 70 176.847 176.847 179.523 -2.676 25924 3975 1 10 . 1 1 70 70 ALA CA C 70 52.759 52.759 54.820 -2.061 25924 3976 1 10 . 1 1 70 70 ALA CB C 70 15.297 15.297 18.524 -3.227 25924 3977 1 10 . 1 1 70 70 ALA H H 70 8.219 8.219 8.306 -0.087 25924 3978 1 10 . 1 1 71 71 MET N N 71 115.754 115.754 118.239 -2.485 25924 3979 1 10 . 1 1 71 71 MET HA H 71 4.010 4.010 4.038 -0.028 25924 3980 1 10 . 1 1 71 71 MET C C 71 175.596 175.596 177.832 -2.236 25924 3981 1 10 . 1 1 71 71 MET CA C 71 56.613 56.613 59.063 -2.450 25924 3982 1 10 . 1 1 71 71 MET CB C 71 30.407 30.407 32.605 -2.199 25924 3983 1 10 . 1 1 71 71 MET H H 71 8.294 8.294 7.783 0.511 25924 3984 1 10 . 1 1 72 72 ASP N N 72 120.287 120.287 120.353 -0.066 25924 3985 1 10 . 1 1 72 72 ASP HA H 72 4.389 4.389 4.364 0.025 25924 3986 1 10 . 1 1 72 72 ASP C C 72 175.052 175.052 178.259 -3.207 25924 3987 1 10 . 1 1 72 72 ASP CA C 72 54.995 54.995 57.230 -2.235 25924 3988 1 10 . 1 1 72 72 ASP CB C 72 40.461 40.461 40.828 -0.367 25924 3989 1 10 . 1 1 72 72 ASP H H 72 8.045 8.045 8.492 -0.447 25924 3990 1 10 . 1 1 73 73 ALA N N 73 119.640 119.640 122.211 -2.571 25924 3991 1 10 . 1 1 73 73 ALA HA H 73 4.188 4.188 4.161 0.027 25924 3992 1 10 . 1 1 73 73 ALA C C 73 177.251 177.251 180.054 -2.803 25924 3993 1 10 . 1 1 73 73 ALA CA C 73 52.041 52.041 55.059 -3.018 25924 3994 1 10 . 1 1 73 73 ALA CB C 73 16.473 16.473 18.606 -2.133 25924 3995 1 10 . 1 1 73 73 ALA H H 73 8.028 8.028 8.212 -0.184 25924 3996 1 10 . 1 1 74 74 LEU N N 74 117.010 117.010 120.711 -3.701 25924 3997 1 10 . 1 1 74 74 LEU HA H 74 3.992 3.992 4.248 -0.256 25924 3998 1 10 . 1 1 74 74 LEU C C 74 176.643 176.643 178.974 -2.331 25924 3999 1 10 . 1 1 74 74 LEU CA C 74 55.519 55.519 57.746 -2.227 25924 4000 1 10 . 1 1 74 74 LEU CB C 74 39.698 39.698 42.049 -2.351 25924 4001 1 10 . 1 1 74 74 LEU H H 74 8.397 8.397 8.349 0.048 25924 4002 1 10 . 1 1 75 75 GLU N N 75 117.709 117.709 118.662 -0.953 25924 4003 1 10 . 1 1 75 75 GLU HA H 75 4.109 4.109 4.083 0.026 25924 4004 1 10 . 1 1 75 75 GLU C C 75 175.976 175.976 178.522 -2.546 25924 4005 1 10 . 1 1 75 75 GLU CA C 75 55.916 55.916 58.983 -3.067 25924 4006 1 10 . 1 1 75 75 GLU CB C 75 27.425 27.425 29.986 -2.562 25924 4007 1 10 . 1 1 75 75 GLU H H 75 7.812 7.812 8.340 -0.528 25924 4008 1 10 . 1 1 76 76 LYS N N 76 117.440 117.440 116.593 0.847 25924 4009 1 10 . 1 1 76 76 LYS HA H 76 4.140 4.140 4.209 -0.069 25924 4010 1 10 . 1 1 76 76 LYS C C 76 174.882 174.882 176.891 -2.009 25924 4011 1 10 . 1 1 76 76 LYS CA C 76 55.187 55.187 57.598 -2.411 25924 4012 1 10 . 1 1 76 76 LYS CB C 76 31.270 31.270 33.606 -2.336 25924 4013 1 10 . 1 1 76 76 LYS H H 76 7.892 7.892 7.997 -0.105 25924 4014 1 10 . 1 1 77 77 TYR N N 77 120.225 120.225 120.731 -0.506 25924 4015 1 10 . 1 1 77 77 TYR HA H 77 4.044 4.044 4.710 -0.666 25924 4016 1 10 . 1 1 77 77 TYR C C 77 172.041 172.041 173.107 -1.066 25924 4017 1 10 . 1 1 77 77 TYR CA C 77 56.878 56.878 57.287 -0.409 25924 4018 1 10 . 1 1 77 77 TYR CB C 77 35.852 35.852 40.091 -4.239 25924 4019 1 10 . 1 1 77 77 TYR H H 77 8.149 8.149 8.018 0.131 25924 4020 1 10 . 1 1 78 78 ASN N N 78 121.088 121.088 123.145 -2.057 25924 4021 1 10 . 1 1 78 78 ASN HA H 78 4.537 4.537 4.647 -0.110 25924 4022 1 10 . 1 1 78 78 ASN C C 78 171.116 171.116 173.987 -2.871 25924 4023 1 10 . 1 1 78 78 ASN CA C 78 49.866 49.866 52.040 -2.174 25924 4024 1 10 . 1 1 78 78 ASN CB C 78 35.302 35.302 39.412 -4.110 25924 4025 1 10 . 1 1 78 78 ASN H H 78 7.436 7.436 8.195 -0.759 25924 4026 1 10 . 1 1 79 79 PHE N N 79 122.211 122.211 120.211 2.000 25924 4027 1 10 . 1 1 79 79 PHE C C 79 171.220 171.220 173.176 -1.956 25924 4028 1 10 . 1 1 79 79 PHE CA C 79 54.195 54.195 55.226 -1.031 25924 4029 1 10 . 1 1 79 79 PHE CB C 79 35.969 35.969 39.468 -3.499 25924 4030 1 10 . 1 1 79 79 PHE H H 79 7.901 7.901 8.284 -0.383 25924 4031 1 10 . 1 1 80 80 PRO HA H 80 4.367 4.367 4.439 -0.072 25924 4032 1 10 . 1 1 80 80 PRO C C 80 173.721 173.721 175.714 -1.993 25924 4033 1 10 . 1 1 80 80 PRO CA C 80 60.634 60.634 62.335 -1.701 25924 4034 1 10 . 1 1 80 80 PRO CB C 80 29.356 29.356 32.588 -3.232 25924 4035 1 10 . 1 1 81 81 GLN N N 81 120.432 120.432 120.183 0.249 25924 4036 1 10 . 1 1 81 81 GLN HA H 81 4.232 4.232 4.180 0.052 25924 4037 1 10 . 1 1 81 81 GLN C C 81 172.475 172.475 175.688 -3.213 25924 4038 1 10 . 1 1 81 81 GLN CA C 81 53.216 53.216 56.123 -2.907 25924 4039 1 10 . 1 1 81 81 GLN CB C 81 26.823 26.823 28.893 -2.070 25924 4040 1 10 . 1 1 81 81 GLN H H 81 8.347 8.347 8.343 0.004 25924 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 66 2.566 0.086 2.584 25924 2 1 1 "Average Difference" HA 68 0.300 0.000 0.302 25924 3 1 1 "Average Difference" C 73 2.794 2.634 0.939 25924 4 1 1 "Average Difference" CA 74 2.744 2.488 1.165 25924 5 1 1 "Average Difference" CB 66 3.205 2.124 2.418 25924 6 1 1 "Average Difference" HN 65 0.562 -0.090 0.559 25924 7 1 2 "Average Difference" N 66 2.616 0.346 2.612 25924 8 1 2 "Average Difference" HA 68 0.292 0.022 0.293 25924 9 1 2 "Average Difference" C 73 2.897 2.748 0.923 25924 10 1 2 "Average Difference" CA 74 2.745 2.494 1.155 25924 11 1 2 "Average Difference" CB 66 3.260 2.029 2.571 25924 12 1 2 "Average Difference" HN 65 0.516 -0.088 0.512 25924 13 1 3 "Average Difference" N 66 2.902 -0.268 2.912 25924 14 1 3 "Average Difference" HA 68 0.316 0.026 0.317 25924 15 1 3 "Average Difference" C 73 2.894 2.733 0.957 25924 16 1 3 "Average Difference" CA 74 2.741 2.503 1.126 25924 17 1 3 "Average Difference" CB 66 3.182 2.111 2.399 25924 18 1 3 "Average Difference" HN 65 0.549 -0.106 0.543 25924 19 1 4 "Average Difference" N 66 2.382 0.331 2.378 25924 20 1 4 "Average Difference" HA 68 0.289 0.007 0.291 25924 21 1 4 "Average Difference" C 73 2.795 2.626 0.963 25924 22 1 4 "Average Difference" CA 74 2.790 2.559 1.120 25924 23 1 4 "Average Difference" CB 66 3.097 1.999 2.384 25924 24 1 4 "Average Difference" HN 65 0.459 -0.009 0.462 25924 25 1 5 "Average Difference" N 66 2.660 0.032 2.680 25924 26 1 5 "Average Difference" HA 68 0.310 0.010 0.312 25924 27 1 5 "Average Difference" C 73 2.879 2.699 1.010 25924 28 1 5 "Average Difference" CA 74 2.758 2.481 1.214 25924 29 1 5 "Average Difference" CB 66 3.218 2.040 2.508 25924 30 1 5 "Average Difference" HN 65 0.534 -0.104 0.528 25924 31 1 6 "Average Difference" N 66 2.572 -0.021 2.591 25924 32 1 6 "Average Difference" HA 68 0.287 0.002 0.290 25924 33 1 6 "Average Difference" C 73 2.897 2.736 0.959 25924 34 1 6 "Average Difference" CA 74 2.829 2.541 1.253 25924 35 1 6 "Average Difference" CB 66 3.189 1.942 2.548 25924 36 1 6 "Average Difference" HN 65 0.528 -0.089 0.524 25924 37 1 7 "Average Difference" N 66 2.785 -0.065 2.806 25924 38 1 7 "Average Difference" HA 68 0.360 0.041 0.360 25924 39 1 7 "Average Difference" C 73 2.889 2.726 0.964 25924 40 1 7 "Average Difference" CA 74 2.826 2.543 1.240 25924 41 1 7 "Average Difference" CB 66 3.196 2.031 2.487 25924 42 1 7 "Average Difference" HN 65 0.502 -0.036 0.505 25924 43 1 8 "Average Difference" N 66 2.659 -0.265 2.666 25924 44 1 8 "Average Difference" HA 68 0.307 -0.030 0.308 25924 45 1 8 "Average Difference" C 73 2.921 2.769 0.935 25924 46 1 8 "Average Difference" CA 74 2.896 2.630 1.219 25924 47 1 8 "Average Difference" CB 66 3.144 2.011 2.435 25924 48 1 8 "Average Difference" HN 65 0.494 -0.093 0.488 25924 49 1 9 "Average Difference" N 66 2.630 -0.405 2.618 25924 50 1 9 "Average Difference" HA 68 0.301 0.009 0.303 25924 51 1 9 "Average Difference" C 73 2.905 2.743 0.963 25924 52 1 9 "Average Difference" CA 74 2.792 2.532 1.183 25924 53 1 9 "Average Difference" CB 66 3.211 2.024 2.512 25924 54 1 9 "Average Difference" HN 65 0.523 -0.057 0.524 25924 55 1 10 "Average Difference" N 66 2.857 0.273 2.866 25924 56 1 10 "Average Difference" HA 68 0.329 0.071 0.323 25924 57 1 10 "Average Difference" C 73 2.832 2.699 0.866 25924 58 1 10 "Average Difference" CA 74 2.746 2.457 1.234 25924 59 1 10 "Average Difference" CB 66 3.314 2.151 2.541 25924 60 1 10 "Average Difference" HN 65 0.512 -0.022 0.516 25924 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 25924 _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 6 6 PRO HA H 6 4.233 4.233 4.463 -0.230 25924 2 1 . 1 1 6 6 PRO C C 6 174.849 174.849 178.012 -3.163 25924 3 1 . 1 1 6 6 PRO CA C 6 62.494 62.494 62.364 0.130 25924 4 1 . 1 1 6 6 PRO CB C 6 30.061 30.061 32.625 -2.564 25924 5 1 . 1 1 7 7 ILE N N 7 118.341 118.341 121.169 -2.828 25924 6 1 . 1 1 7 7 ILE HA H 7 3.556 3.556 3.794 -0.238 25924 7 1 . 1 1 7 7 ILE C C 7 177.294 177.294 177.521 -0.227 25924 8 1 . 1 1 7 7 ILE CA C 7 62.546 62.546 62.893 -0.347 25924 9 1 . 1 1 7 7 ILE CB C 7 34.984 34.984 37.490 -2.506 25924 10 1 . 1 1 7 7 ILE H H 7 7.420 7.420 8.633 -1.213 25924 11 1 . 1 1 8 8 SER N N 8 118.043 118.043 115.302 2.741 25924 12 1 . 1 1 8 8 SER HA H 8 4.140 4.140 3.999 0.141 25924 13 1 . 1 1 8 8 SER C C 8 174.216 174.216 176.307 -2.091 25924 14 1 . 1 1 8 8 SER CA C 8 58.686 58.686 61.296 -2.610 25924 15 1 . 1 1 8 8 SER CB C 8 59.913 59.913 62.439 -2.526 25924 16 1 . 1 1 8 8 SER H H 8 7.867 7.867 8.307 -0.440 25924 17 1 . 1 1 9 9 GLN N N 9 121.528 121.528 121.732 -0.204 25924 18 1 . 1 1 9 9 GLN HA H 9 3.894 3.894 4.035 -0.142 25924 19 1 . 1 1 9 9 GLN C C 9 175.750 175.750 178.088 -2.338 25924 20 1 . 1 1 9 9 GLN CA C 9 56.418 56.418 58.781 -2.363 25924 21 1 . 1 1 9 9 GLN CB C 9 26.763 26.763 28.507 -1.744 25924 22 1 . 1 1 9 9 GLN H H 9 8.384 8.384 7.614 0.770 25924 23 1 . 1 1 10 10 LEU N N 10 120.026 120.026 120.064 -0.038 25924 24 1 . 1 1 10 10 LEU HA H 10 3.903 3.903 4.018 -0.115 25924 25 1 . 1 1 10 10 LEU C C 10 174.336 174.336 178.998 -4.662 25924 26 1 . 1 1 10 10 LEU CA C 10 55.816 55.816 57.508 -1.692 25924 27 1 . 1 1 10 10 LEU CB C 10 38.168 38.168 41.446 -3.278 25924 28 1 . 1 1 10 10 LEU H H 10 8.357 8.357 7.728 0.628 25924 29 1 . 1 1 11 11 GLN N N 11 116.550 116.550 118.391 -1.841 25924 30 1 . 1 1 11 11 GLN HA H 11 3.591 3.591 3.832 -0.241 25924 31 1 . 1 1 11 11 GLN C C 11 175.196 175.196 178.277 -3.081 25924 32 1 . 1 1 11 11 GLN CA C 11 57.729 57.729 58.876 -1.147 25924 33 1 . 1 1 11 11 GLN CB C 11 20.954 20.954 28.258 -7.303 25924 34 1 . 1 1 11 11 GLN H H 11 7.445 7.445 8.271 -0.826 25924 35 1 . 1 1 12 12 GLN N N 12 116.948 116.948 119.502 -2.554 25924 36 1 . 1 1 12 12 GLN HA H 12 3.940 3.940 4.021 -0.081 25924 37 1 . 1 1 12 12 GLN C C 12 176.463 176.463 178.397 -1.934 25924 38 1 . 1 1 12 12 GLN CA C 12 56.111 56.111 58.989 -2.878 25924 39 1 . 1 1 12 12 GLN CB C 12 25.406 25.406 28.402 -2.995 25924 40 1 . 1 1 12 12 GLN H H 12 8.159 8.159 8.232 -0.073 25924 41 1 . 1 1 13 13 CYS N N 13 119.104 119.104 118.717 0.387 25924 42 1 . 1 1 13 13 CYS HA H 13 4.246 4.246 4.114 0.132 25924 43 1 . 1 1 13 13 CYS C C 13 174.884 174.884 177.173 -2.289 25924 44 1 . 1 1 13 13 CYS CA C 13 55.688 55.688 63.265 -7.577 25924 45 1 . 1 1 13 13 CYS CB C 13 36.819 36.819 27.347 9.472 25924 46 1 . 1 1 13 13 CYS H H 13 8.255 8.255 8.010 0.245 25924 47 1 . 1 1 14 14 CYS N N 14 119.738 119.738 119.262 0.476 25924 48 1 . 1 1 14 14 CYS HA H 14 3.872 3.872 4.033 -0.161 25924 49 1 . 1 1 14 14 CYS C C 14 174.825 174.825 176.522 -1.696 25924 50 1 . 1 1 14 14 CYS CA C 14 59.649 59.649 63.182 -3.533 25924 51 1 . 1 1 14 14 CYS CB C 14 30.799 30.799 27.216 3.582 25924 52 1 . 1 1 14 14 CYS H H 14 8.472 8.472 7.791 0.681 25924 53 1 . 1 1 15 15 LEU N N 15 120.206 120.206 119.089 1.117 25924 54 1 . 1 1 15 15 LEU HA H 15 4.164 4.164 4.016 0.148 25924 55 1 . 1 1 15 15 LEU C C 15 176.334 176.334 178.375 -2.041 25924 56 1 . 1 1 15 15 LEU CA C 15 55.008 55.008 57.812 -2.804 25924 57 1 . 1 1 15 15 LEU CB C 15 39.276 39.276 41.953 -2.677 25924 58 1 . 1 1 15 15 LEU H H 15 7.875 7.875 7.919 -0.044 25924 59 1 . 1 1 16 16 THR N N 16 111.015 111.015 110.261 0.754 25924 60 1 . 1 1 16 16 THR HA H 16 4.188 4.188 4.197 -0.009 25924 61 1 . 1 1 16 16 THR C C 16 172.543 172.543 175.033 -2.490 25924 62 1 . 1 1 16 16 THR CA C 16 61.556 61.556 63.477 -1.921 25924 63 1 . 1 1 16 16 THR CB C 16 67.074 67.074 69.631 -2.557 25924 64 1 . 1 1 16 16 THR H H 16 7.636 7.636 7.669 -0.033 25924 65 1 . 1 1 17 17 LEU N N 17 121.097 121.097 123.049 -1.952 25924 66 1 . 1 1 17 17 LEU HA H 17 4.366 4.366 4.081 0.285 25924 67 1 . 1 1 17 17 LEU C C 17 174.215 174.215 175.462 -1.247 25924 68 1 . 1 1 17 17 LEU CA C 17 52.269 52.269 55.038 -2.769 25924 69 1 . 1 1 17 17 LEU CB C 17 39.018 39.018 41.562 -2.544 25924 70 1 . 1 1 17 17 LEU H H 17 7.364 7.364 7.619 -0.255 25924 71 1 . 1 1 18 18 ARG N N 18 120.709 120.709 123.874 -3.165 25924 72 1 . 1 1 18 18 ARG HA H 18 4.371 4.371 4.321 0.051 25924 73 1 . 1 1 18 18 ARG C C 18 173.362 173.362 175.817 -2.455 25924 74 1 . 1 1 18 18 ARG CA C 18 53.709 53.709 56.590 -2.881 25924 75 1 . 1 1 18 18 ARG CB C 18 28.038 28.038 30.427 -2.388 25924 76 1 . 1 1 18 18 ARG H H 18 7.555 7.555 8.248 -0.693 25924 77 1 . 1 1 19 19 THR N N 19 118.668 118.668 119.935 -1.267 25924 78 1 . 1 1 19 19 THR HA H 19 4.387 4.387 4.495 -0.108 25924 79 1 . 1 1 19 19 THR C C 19 171.580 171.580 173.819 -2.239 25924 80 1 . 1 1 19 19 THR CA C 19 58.936 58.936 61.724 -2.788 25924 81 1 . 1 1 19 19 THR CB C 19 67.672 67.672 70.667 -2.995 25924 82 1 . 1 1 19 19 THR H H 19 8.540 8.540 8.375 0.165 25924 83 1 . 1 1 20 20 GLU N N 20 124.039 124.039 126.988 -2.949 25924 84 1 . 1 1 20 20 GLU HA H 20 4.075 4.075 4.151 -0.076 25924 85 1 . 1 1 20 20 GLU C C 20 174.446 174.446 177.372 -2.926 25924 86 1 . 1 1 20 20 GLU CA C 20 54.949 54.949 57.669 -2.720 25924 87 1 . 1 1 20 20 GLU CB C 20 26.872 26.872 29.805 -2.933 25924 88 1 . 1 1 20 20 GLU H H 20 8.586 8.586 8.836 -0.250 25924 89 1 . 1 1 21 21 GLY N N 21 111.169 111.169 112.306 -1.137 25924 90 1 . 1 1 21 21 GLY C C 21 171.105 171.105 174.050 -2.945 25924 91 1 . 1 1 21 21 GLY CA C 21 42.662 42.662 44.975 -2.313 25924 92 1 . 1 1 21 21 GLY H H 21 8.552 8.552 8.742 -0.191 25924 93 1 . 1 1 22 22 LYS N N 22 119.376 119.376 121.271 -1.895 25924 94 1 . 1 1 22 22 LYS HA H 22 4.453 4.453 4.558 -0.105 25924 95 1 . 1 1 22 22 LYS C C 22 173.525 173.525 175.293 -1.768 25924 96 1 . 1 1 22 22 LYS CA C 22 52.416 52.416 55.196 -2.780 25924 97 1 . 1 1 22 22 LYS CB C 22 31.336 31.336 34.681 -3.345 25924 98 1 . 1 1 22 22 LYS H H 22 7.798 7.798 7.670 0.129 25924 99 1 . 1 1 23 23 GLU N N 23 122.631 122.631 123.855 -1.224 25924 100 1 . 1 1 23 23 GLU C C 23 172.069 172.069 175.355 -3.286 25924 101 1 . 1 1 23 23 GLU CA C 23 51.739 51.739 54.809 -3.070 25924 102 1 . 1 1 23 23 GLU CB C 23 26.486 26.486 29.340 -2.854 25924 103 1 . 1 1 24 24 PRO HA H 24 4.402 4.402 4.423 -0.021 25924 104 1 . 1 1 24 24 PRO C C 24 173.547 173.547 176.081 -2.534 25924 105 1 . 1 1 24 24 PRO CA C 24 60.521 60.521 63.131 -2.610 25924 106 1 . 1 1 24 24 PRO CB C 24 29.522 29.522 32.275 -2.752 25924 107 1 . 1 1 25 25 ASP N N 25 121.674 121.674 121.205 0.469 25924 108 1 . 1 1 25 25 ASP HA H 25 4.657 4.657 4.675 -0.018 25924 109 1 . 1 1 25 25 ASP C C 25 171.891 171.891 175.490 -3.599 25924 110 1 . 1 1 25 25 ASP CA C 25 53.718 53.718 53.777 -0.059 25924 111 1 . 1 1 25 25 ASP CB C 25 40.677 40.677 42.249 -1.572 25924 112 1 . 1 1 25 25 ASP H H 25 8.232 8.232 8.473 -0.240 25924 113 1 . 1 1 26 26 ILE N N 26 116.402 116.402 118.920 -2.518 25924 114 1 . 1 1 26 26 ILE C C 26 171.291 171.291 174.027 -2.736 25924 115 1 . 1 1 26 26 ILE CA C 26 55.315 55.315 58.019 -2.704 25924 116 1 . 1 1 26 26 ILE CB C 26 37.365 37.365 38.660 -1.295 25924 117 1 . 1 1 26 26 ILE H H 26 8.108 8.108 8.154 -0.046 25924 118 1 . 1 1 27 27 PRO HA H 27 4.723 4.723 4.410 0.313 25924 119 1 . 1 1 27 27 PRO C C 27 172.234 172.234 175.685 -3.451 25924 120 1 . 1 1 27 27 PRO CA C 27 60.676 60.676 62.472 -1.796 25924 121 1 . 1 1 27 27 PRO CB C 27 29.510 29.510 32.314 -2.804 25924 122 1 . 1 1 28 28 LEU N N 28 124.504 124.504 122.073 2.431 25924 123 1 . 1 1 28 28 LEU HA H 28 4.712 4.712 4.649 0.063 25924 124 1 . 1 1 28 28 LEU C C 28 172.463 172.463 175.207 -2.744 25924 125 1 . 1 1 28 28 LEU CA C 28 50.999 50.999 54.162 -3.163 25924 126 1 . 1 1 28 28 LEU CB C 28 42.433 42.433 45.030 -2.597 25924 127 1 . 1 1 28 28 LEU H H 28 8.477 8.477 7.865 0.612 25924 128 1 . 1 1 29 29 TYR N N 29 123.137 123.137 121.691 1.446 25924 129 1 . 1 1 29 29 TYR HA H 29 5.285 5.285 4.847 0.438 25924 130 1 . 1 1 29 29 TYR C C 29 173.614 173.614 174.984 -1.369 25924 131 1 . 1 1 29 29 TYR CA C 29 54.959 54.959 56.721 -1.762 25924 132 1 . 1 1 29 29 TYR CB C 29 37.328 37.328 39.048 -1.720 25924 133 1 . 1 1 29 29 TYR H H 29 8.907 8.907 8.040 0.867 25924 134 1 . 1 1 30 30 LYS N N 30 122.426 122.426 124.887 -2.461 25924 135 1 . 1 1 30 30 LYS C C 30 172.500 172.500 175.476 -2.976 25924 136 1 . 1 1 30 30 LYS CA C 30 52.399 52.399 55.099 -2.700 25924 137 1 . 1 1 30 30 LYS CB C 30 34.086 34.086 35.628 -1.542 25924 138 1 . 1 1 30 30 LYS H H 30 9.344 9.344 8.589 0.755 25924 139 1 . 1 1 31 31 THR HA H 31 4.510 4.510 4.686 -0.176 25924 140 1 . 1 1 31 31 THR CA C 31 60.787 60.787 62.249 -1.462 25924 141 1 . 1 1 32 32 LEU N N 32 129.198 129.198 125.380 3.818 25924 142 1 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.582 -0.142 25924 143 1 . 1 1 32 32 LEU C C 32 174.368 174.368 176.832 -2.464 25924 144 1 . 1 1 32 32 LEU CA C 32 52.683 52.683 55.879 -3.196 25924 145 1 . 1 1 32 32 LEU CB C 32 40.207 40.207 43.014 -2.807 25924 146 1 . 1 1 32 32 LEU H H 32 9.019 9.019 8.844 0.175 25924 147 1 . 1 1 33 33 GLN N N 33 115.992 115.992 116.032 -0.040 25924 148 1 . 1 1 33 33 GLN C C 33 171.615 171.615 174.150 -2.535 25924 149 1 . 1 1 33 33 GLN CA C 33 53.264 53.264 55.189 -1.925 25924 150 1 . 1 1 33 33 GLN CB C 33 28.844 28.844 31.605 -2.761 25924 151 1 . 1 1 33 33 GLN H H 33 7.689 7.689 7.923 -0.234 25924 152 1 . 1 1 34 34 THR N N 34 119.608 119.608 115.816 3.792 25924 153 1 . 1 1 34 34 THR HA H 34 4.489 4.489 4.851 -0.362 25924 154 1 . 1 1 34 34 THR C C 34 170.622 170.622 173.740 -3.118 25924 155 1 . 1 1 34 34 THR CA C 34 59.144 59.144 60.629 -1.485 25924 156 1 . 1 1 34 34 THR CB C 34 67.805 67.805 69.944 -2.139 25924 157 1 . 1 1 34 34 THR H H 34 8.345 8.345 8.330 0.015 25924 158 1 . 1 1 35 35 VAL N N 35 120.795 120.795 122.223 -1.428 25924 159 1 . 1 1 35 35 VAL HA H 35 4.492 4.492 4.464 0.028 25924 160 1 . 1 1 35 35 VAL C C 35 172.242 172.242 174.601 -2.359 25924 161 1 . 1 1 35 35 VAL CA C 35 57.697 57.697 60.244 -2.547 25924 162 1 . 1 1 35 35 VAL CB C 35 32.804 32.804 35.112 -2.308 25924 163 1 . 1 1 35 35 VAL H H 35 8.134 8.134 8.498 -0.364 25924 164 1 . 1 1 36 36 GLY N N 36 110.608 110.608 109.856 0.753 25924 165 1 . 1 1 36 36 GLY C C 36 169.453 169.453 173.133 -3.680 25924 166 1 . 1 1 36 36 GLY CA C 36 41.094 41.094 44.368 -3.274 25924 167 1 . 1 1 36 36 GLY H H 36 8.229 8.229 8.577 -0.348 25924 168 1 . 1 1 39 39 HIS HA H 39 4.631 4.631 4.456 0.174 25924 169 1 . 1 1 39 39 HIS C C 39 172.140 172.140 174.708 -2.568 25924 170 1 . 1 1 39 39 HIS CA C 39 53.584 53.584 56.737 -3.153 25924 171 1 . 1 1 39 39 HIS CB C 39 27.736 27.736 30.210 -2.473 25924 172 1 . 1 1 40 40 ALA N N 40 128.155 128.155 123.572 4.583 25924 173 1 . 1 1 40 40 ALA HA H 40 4.422 4.422 4.415 0.007 25924 174 1 . 1 1 40 40 ALA C C 40 171.693 171.693 176.912 -5.219 25924 175 1 . 1 1 40 40 ALA CA C 40 48.979 48.979 51.767 -2.788 25924 176 1 . 1 1 40 40 ALA CB C 40 15.335 15.335 19.767 -4.432 25924 177 1 . 1 1 40 40 ALA H H 40 7.582 7.582 8.062 -0.480 25924 178 1 . 1 1 41 41 ARG N N 41 122.997 122.997 122.055 0.942 25924 179 1 . 1 1 41 41 ARG HA H 41 4.467 4.467 4.417 0.050 25924 180 1 . 1 1 41 41 ARG C C 41 174.236 174.236 176.097 -1.861 25924 181 1 . 1 1 41 41 ARG CA C 41 52.715 52.715 55.739 -3.023 25924 182 1 . 1 1 41 41 ARG CB C 41 29.506 29.506 30.940 -1.434 25924 183 1 . 1 1 41 41 ARG H H 41 8.090 8.090 8.489 -0.399 25924 184 1 . 1 1 42 42 THR N N 42 116.202 116.202 114.235 1.967 25924 185 1 . 1 1 42 42 THR HA H 42 4.448 4.448 5.040 -0.592 25924 186 1 . 1 1 42 42 THR C C 42 171.192 171.192 173.034 -1.842 25924 187 1 . 1 1 42 42 THR CA C 42 59.750 59.750 60.198 -0.448 25924 188 1 . 1 1 42 42 THR CB C 42 67.917 67.917 71.737 -3.820 25924 189 1 . 1 1 42 42 THR H H 42 8.572 8.572 8.414 0.158 25924 190 1 . 1 1 43 43 TYR N N 43 127.687 127.687 121.597 6.090 25924 191 1 . 1 1 43 43 TYR HA H 43 4.719 4.719 4.792 -0.073 25924 192 1 . 1 1 43 43 TYR C C 43 172.160 172.160 175.305 -3.145 25924 193 1 . 1 1 43 43 TYR CA C 43 54.921 54.921 57.039 -2.118 25924 194 1 . 1 1 43 43 TYR CB C 43 38.220 38.220 41.808 -3.588 25924 195 1 . 1 1 43 43 TYR H H 43 9.255 9.255 9.158 0.097 25924 196 1 . 1 1 44 44 THR N N 44 117.178 117.178 117.911 -0.733 25924 197 1 . 1 1 44 44 THR HA H 44 5.162 5.162 4.915 0.247 25924 198 1 . 1 1 44 44 THR C C 44 171.330 171.330 173.117 -1.787 25924 199 1 . 1 1 44 44 THR CA C 44 59.299 59.299 61.570 -2.271 25924 200 1 . 1 1 44 44 THR CB C 44 67.619 67.619 70.243 -2.624 25924 201 1 . 1 1 44 44 THR H H 44 8.699 8.699 8.590 0.109 25924 202 1 . 1 1 45 45 VAL N N 45 128.199 128.199 124.970 3.229 25924 203 1 . 1 1 45 45 VAL HA H 45 4.177 4.177 4.617 -0.440 25924 204 1 . 1 1 45 45 VAL C C 45 169.635 169.635 173.153 -3.518 25924 205 1 . 1 1 45 45 VAL CA C 45 57.558 57.558 59.903 -2.345 25924 206 1 . 1 1 45 45 VAL CB C 45 32.829 32.829 35.148 -2.320 25924 207 1 . 1 1 45 45 VAL H H 45 9.331 9.331 8.688 0.643 25924 208 1 . 1 1 46 46 ALA N N 46 126.929 126.929 128.681 -1.752 25924 209 1 . 1 1 46 46 ALA HA H 46 5.260 5.260 5.032 0.228 25924 210 1 . 1 1 46 46 ALA C C 46 171.973 171.973 175.856 -3.883 25924 211 1 . 1 1 46 46 ALA CA C 46 46.865 46.865 50.739 -3.874 25924 212 1 . 1 1 46 46 ALA CB C 46 21.198 21.198 21.600 -0.402 25924 213 1 . 1 1 46 46 ALA H H 46 8.961 8.961 8.425 0.536 25924 214 1 . 1 1 47 47 VAL N N 47 118.914 118.914 123.928 -5.014 25924 215 1 . 1 1 47 47 VAL HA H 47 4.961 4.961 4.251 0.710 25924 216 1 . 1 1 47 47 VAL C C 47 170.285 170.285 174.953 -4.668 25924 217 1 . 1 1 47 47 VAL CA C 47 55.384 55.384 61.792 -6.408 25924 218 1 . 1 1 47 47 VAL CB C 47 32.098 32.098 33.012 -0.914 25924 219 1 . 1 1 47 47 VAL H H 47 8.248 8.248 8.371 -0.123 25924 220 1 . 1 1 48 48 TYR N N 48 126.815 126.815 124.876 1.939 25924 221 1 . 1 1 48 48 TYR HA H 48 5.217 5.217 4.952 0.265 25924 222 1 . 1 1 48 48 TYR C C 48 172.504 172.504 174.292 -1.788 25924 223 1 . 1 1 48 48 TYR CA C 48 53.610 53.610 56.196 -2.586 25924 224 1 . 1 1 48 48 TYR CB C 48 40.339 40.339 40.599 -0.259 25924 225 1 . 1 1 48 48 TYR H H 48 9.274 9.274 8.216 1.057 25924 226 1 . 1 1 49 49 PHE N N 49 119.234 119.234 123.205 -3.971 25924 227 1 . 1 1 49 49 PHE HA H 49 4.766 4.766 4.831 -0.065 25924 228 1 . 1 1 49 49 PHE C C 49 172.390 172.390 175.313 -2.923 25924 229 1 . 1 1 49 49 PHE CA C 49 54.128 54.128 57.336 -3.208 25924 230 1 . 1 1 49 49 PHE CB C 49 40.240 40.240 42.503 -2.263 25924 231 1 . 1 1 49 49 PHE H H 49 9.024 9.024 9.207 -0.183 25924 232 1 . 1 1 50 50 LYS N N 50 128.064 128.064 126.396 1.668 25924 233 1 . 1 1 50 50 LYS HA H 50 3.502 3.502 3.742 -0.241 25924 234 1 . 1 1 50 50 LYS C C 50 173.659 173.659 176.161 -2.503 25924 235 1 . 1 1 50 50 LYS CA C 50 54.906 54.906 56.944 -2.038 25924 236 1 . 1 1 50 50 LYS CB C 50 26.726 26.726 30.759 -4.033 25924 237 1 . 1 1 50 50 LYS H H 50 9.035 9.035 8.796 0.239 25924 238 1 . 1 1 51 51 GLY N N 51 104.286 104.286 103.128 1.158 25924 239 1 . 1 1 51 51 GLY C C 51 170.970 170.970 173.792 -2.822 25924 240 1 . 1 1 51 51 GLY CA C 51 42.553 42.553 44.982 -2.429 25924 241 1 . 1 1 51 51 GLY H H 51 8.893 8.893 8.388 0.505 25924 242 1 . 1 1 52 52 GLU N N 52 121.087 121.087 120.015 1.072 25924 243 1 . 1 1 52 52 GLU HA H 52 4.617 4.617 4.666 -0.049 25924 244 1 . 1 1 52 52 GLU C C 52 172.477 172.477 175.499 -3.022 25924 245 1 . 1 1 52 52 GLU CA C 52 51.709 51.709 54.549 -2.840 25924 246 1 . 1 1 52 52 GLU CB C 52 29.248 29.248 32.737 -3.489 25924 247 1 . 1 1 52 52 GLU H H 52 7.710 7.710 8.124 -0.414 25924 248 1 . 1 1 53 53 ARG N N 53 126.720 126.720 125.069 1.651 25924 249 1 . 1 1 53 53 ARG C C 53 173.977 173.977 176.464 -2.487 25924 250 1 . 1 1 53 53 ARG CA C 53 54.250 54.250 57.416 -3.166 25924 251 1 . 1 1 53 53 ARG CB C 53 27.373 27.373 30.459 -3.086 25924 252 1 . 1 1 53 53 ARG H H 53 8.919 8.919 8.912 0.007 25924 253 1 . 1 1 54 54 ILE N N 54 122.215 122.215 120.159 2.056 25924 254 1 . 1 1 54 54 ILE HA H 54 4.549 4.549 4.470 0.079 25924 255 1 . 1 1 54 54 ILE C C 54 172.161 172.161 174.180 -2.019 25924 256 1 . 1 1 54 54 ILE CA C 54 58.807 58.807 60.424 -1.617 25924 257 1 . 1 1 54 54 ILE CB C 54 37.207 37.207 39.626 -2.419 25924 258 1 . 1 1 54 54 ILE H H 54 8.920 8.920 8.339 0.581 25924 259 1 . 1 1 55 55 GLY N N 55 107.034 107.034 105.938 1.096 25924 260 1 . 1 1 55 55 GLY C C 55 169.649 169.649 171.650 -2.000 25924 261 1 . 1 1 55 55 GLY CA C 55 42.712 42.712 45.419 -2.707 25924 262 1 . 1 1 55 55 GLY H H 55 7.233 7.233 7.535 -0.302 25924 263 1 . 1 1 56 56 CYS N N 56 121.361 121.361 120.500 0.861 25924 264 1 . 1 1 56 56 CYS HA H 56 5.264 5.264 5.425 -0.161 25924 265 1 . 1 1 56 56 CYS C C 56 169.550 169.550 173.951 -4.401 25924 266 1 . 1 1 56 56 CYS CA C 56 53.638 53.638 57.334 -3.696 25924 267 1 . 1 1 56 56 CYS CB C 56 40.291 40.291 30.621 9.670 25924 268 1 . 1 1 56 56 CYS H H 56 9.739 9.739 8.322 1.417 25924 269 1 . 1 1 57 57 GLY N N 57 113.662 113.662 112.512 1.150 25924 270 1 . 1 1 57 57 GLY C C 57 168.036 168.036 171.317 -3.281 25924 271 1 . 1 1 57 57 GLY CA C 57 41.978 41.978 45.107 -3.129 25924 272 1 . 1 1 57 57 GLY H H 57 9.408 9.408 8.805 0.603 25924 273 1 . 1 1 58 58 LYS N N 58 117.565 117.565 118.603 -1.039 25924 274 1 . 1 1 58 58 LYS HA H 58 5.981 5.981 5.465 0.516 25924 275 1 . 1 1 58 58 LYS C C 58 174.185 174.185 175.306 -1.121 25924 276 1 . 1 1 58 58 LYS CA C 58 51.418 51.418 54.464 -3.046 25924 277 1 . 1 1 58 58 LYS CB C 58 34.533 34.533 36.156 -1.623 25924 278 1 . 1 1 58 58 LYS H H 58 8.427 8.427 8.284 0.144 25924 279 1 . 1 1 59 59 GLY N N 59 106.060 106.060 107.572 -1.512 25924 280 1 . 1 1 59 59 GLY C C 59 168.361 168.361 172.240 -3.879 25924 281 1 . 1 1 59 59 GLY CA C 59 43.281 43.281 45.685 -2.404 25924 282 1 . 1 1 59 59 GLY H H 59 8.534 8.534 8.099 0.435 25924 283 1 . 1 1 60 60 PRO HA H 60 5.242 5.242 4.779 0.463 25924 284 1 . 1 1 60 60 PRO C C 60 172.019 172.019 176.355 -4.336 25924 285 1 . 1 1 60 60 PRO CA C 60 61.161 61.161 63.797 -2.636 25924 286 1 . 1 1 60 60 PRO CB C 60 29.185 29.185 32.357 -3.172 25924 287 1 . 1 1 61 61 SER N N 61 110.749 110.749 110.581 0.168 25924 288 1 . 1 1 61 61 SER C C 61 170.857 170.857 174.539 -3.682 25924 289 1 . 1 1 61 61 SER CA C 61 53.387 53.387 56.774 -3.387 25924 290 1 . 1 1 61 61 SER CB C 61 63.795 63.795 66.028 -2.233 25924 291 1 . 1 1 61 61 SER H H 61 7.289 7.289 7.480 -0.191 25924 292 1 . 1 1 62 62 LYS HA H 62 3.155 3.155 3.994 -0.839 25924 293 1 . 1 1 62 62 LYS C C 62 175.308 175.308 178.162 -2.854 25924 294 1 . 1 1 62 62 LYS CA C 62 57.915 57.915 59.723 -1.808 25924 295 1 . 1 1 62 62 LYS CB C 62 28.989 28.989 32.267 -3.278 25924 296 1 . 1 1 63 63 LYS N N 63 118.188 118.188 119.484 -1.296 25924 297 1 . 1 1 63 63 LYS HA H 63 3.709 3.709 3.929 -0.220 25924 298 1 . 1 1 63 63 LYS C C 63 175.856 175.856 178.871 -3.015 25924 299 1 . 1 1 63 63 LYS CA C 63 57.097 57.097 59.489 -2.391 25924 300 1 . 1 1 63 63 LYS CB C 63 29.746 29.746 31.943 -2.197 25924 301 1 . 1 1 63 63 LYS H H 63 8.246 8.246 8.057 0.189 25924 302 1 . 1 1 64 64 GLN N N 64 116.733 116.733 118.478 -1.745 25924 303 1 . 1 1 64 64 GLN HA H 64 3.927 3.927 4.092 -0.165 25924 304 1 . 1 1 64 64 GLN C C 64 176.277 176.277 178.192 -1.914 25924 305 1 . 1 1 64 64 GLN CA C 64 56.240 56.240 58.580 -2.340 25924 306 1 . 1 1 64 64 GLN CB C 64 26.506 26.506 28.318 -1.812 25924 307 1 . 1 1 64 64 GLN H H 64 7.701 7.701 8.014 -0.313 25924 308 1 . 1 1 65 65 ALA N N 65 123.381 123.381 122.402 0.979 25924 309 1 . 1 1 65 65 ALA HA H 65 3.726 3.726 4.046 -0.320 25924 310 1 . 1 1 65 65 ALA C C 65 175.750 175.750 179.166 -3.416 25924 311 1 . 1 1 65 65 ALA CA C 65 53.009 53.009 55.043 -2.034 25924 312 1 . 1 1 65 65 ALA CB C 65 16.089 16.089 18.336 -2.247 25924 313 1 . 1 1 65 65 ALA H H 65 7.933 7.933 7.968 -0.035 25924 314 1 . 1 1 66 66 LYS N N 66 118.715 118.715 119.006 -0.291 25924 315 1 . 1 1 66 66 LYS HA H 66 3.626 3.626 3.920 -0.294 25924 316 1 . 1 1 66 66 LYS C C 66 175.275 175.275 178.676 -3.401 25924 317 1 . 1 1 66 66 LYS CA C 66 57.658 57.658 59.401 -1.743 25924 318 1 . 1 1 66 66 LYS CB C 66 30.268 30.268 32.052 -1.784 25924 319 1 . 1 1 66 66 LYS H H 66 8.353 8.353 8.153 0.200 25924 320 1 . 1 1 67 67 MET N N 67 117.211 117.211 119.226 -2.015 25924 321 1 . 1 1 67 67 MET HA H 67 3.821 3.821 4.116 -0.295 25924 322 1 . 1 1 67 67 MET C C 67 175.660 175.660 178.446 -2.787 25924 323 1 . 1 1 67 67 MET CA C 67 56.845 56.845 58.737 -1.893 25924 324 1 . 1 1 67 67 MET CB C 67 29.950 29.950 32.197 -2.247 25924 325 1 . 1 1 67 67 MET H H 67 8.011 8.011 7.797 0.214 25924 326 1 . 1 1 68 68 GLY N N 68 105.985 105.985 106.555 -0.570 25924 327 1 . 1 1 68 68 GLY C C 68 173.545 173.545 175.523 -1.978 25924 328 1 . 1 1 68 68 GLY CA C 68 44.643 44.643 46.695 -2.052 25924 329 1 . 1 1 68 68 GLY H H 68 8.094 8.094 7.921 0.173 25924 330 1 . 1 1 69 69 ALA N N 69 127.579 127.579 125.118 2.461 25924 331 1 . 1 1 69 69 ALA HA H 69 3.841 3.841 4.116 -0.275 25924 332 1 . 1 1 69 69 ALA C C 69 175.840 175.840 179.274 -3.434 25924 333 1 . 1 1 69 69 ALA CA C 69 52.512 52.512 54.845 -2.333 25924 334 1 . 1 1 69 69 ALA CB C 69 15.069 15.069 18.451 -3.382 25924 335 1 . 1 1 69 69 ALA H H 69 8.437 8.437 8.309 0.128 25924 336 1 . 1 1 70 70 ALA N N 70 119.968 119.968 121.320 -1.352 25924 337 1 . 1 1 70 70 ALA HA H 70 4.003 4.003 4.035 -0.032 25924 338 1 . 1 1 70 70 ALA C C 70 176.847 176.847 179.288 -2.441 25924 339 1 . 1 1 70 70 ALA CA C 70 52.759 52.759 54.927 -2.168 25924 340 1 . 1 1 70 70 ALA CB C 70 15.297 15.297 18.312 -3.016 25924 341 1 . 1 1 70 70 ALA H H 70 8.219 8.219 8.391 -0.172 25924 342 1 . 1 1 71 71 MET N N 71 115.754 115.754 118.131 -2.377 25924 343 1 . 1 1 71 71 MET HA H 71 4.010 4.010 4.021 -0.011 25924 344 1 . 1 1 71 71 MET C C 71 175.596 175.596 177.604 -2.008 25924 345 1 . 1 1 71 71 MET CA C 71 56.613 56.613 58.992 -2.379 25924 346 1 . 1 1 71 71 MET CB C 71 30.407 30.407 32.545 -2.138 25924 347 1 . 1 1 71 71 MET H H 71 8.294 8.294 7.974 0.320 25924 348 1 . 1 1 72 72 ASP N N 72 120.287 120.287 120.201 0.086 25924 349 1 . 1 1 72 72 ASP HA H 72 4.389 4.389 4.357 0.032 25924 350 1 . 1 1 72 72 ASP C C 72 175.052 175.052 178.148 -3.096 25924 351 1 . 1 1 72 72 ASP CA C 72 54.995 54.995 57.422 -2.427 25924 352 1 . 1 1 72 72 ASP CB C 72 40.461 40.461 40.734 -0.273 25924 353 1 . 1 1 72 72 ASP H H 72 8.045 8.045 8.180 -0.135 25924 354 1 . 1 1 73 73 ALA N N 73 119.640 119.640 122.687 -3.047 25924 355 1 . 1 1 73 73 ALA HA H 73 4.188 4.188 4.231 -0.043 25924 356 1 . 1 1 73 73 ALA C C 73 177.251 177.251 179.768 -2.517 25924 357 1 . 1 1 73 73 ALA CA C 73 52.041 52.041 54.886 -2.845 25924 358 1 . 1 1 73 73 ALA CB C 73 16.473 16.473 18.604 -2.131 25924 359 1 . 1 1 73 73 ALA H H 73 8.028 8.028 7.669 0.359 25924 360 1 . 1 1 74 74 LEU N N 74 117.010 117.010 119.575 -2.565 25924 361 1 . 1 1 74 74 LEU HA H 74 3.992 3.992 3.921 0.071 25924 362 1 . 1 1 74 74 LEU C C 74 176.643 176.643 178.883 -2.240 25924 363 1 . 1 1 74 74 LEU CA C 74 55.519 55.519 57.819 -2.300 25924 364 1 . 1 1 74 74 LEU CB C 74 39.698 39.698 41.691 -1.993 25924 365 1 . 1 1 74 74 LEU H H 74 8.397 8.397 7.928 0.469 25924 366 1 . 1 1 75 75 GLU N N 75 117.709 117.709 118.361 -0.652 25924 367 1 . 1 1 75 75 GLU HA H 75 4.109 4.109 4.034 0.075 25924 368 1 . 1 1 75 75 GLU C C 75 175.976 175.976 178.351 -2.375 25924 369 1 . 1 1 75 75 GLU CA C 75 55.916 55.916 58.721 -2.805 25924 370 1 . 1 1 75 75 GLU CB C 75 27.425 27.425 29.772 -2.347 25924 371 1 . 1 1 75 75 GLU H H 75 7.812 7.812 8.197 -0.385 25924 372 1 . 1 1 76 76 LYS N N 76 117.440 117.440 116.564 0.876 25924 373 1 . 1 1 76 76 LYS HA H 76 4.140 4.140 4.206 -0.066 25924 374 1 . 1 1 76 76 LYS C C 76 174.882 174.882 176.653 -1.771 25924 375 1 . 1 1 76 76 LYS CA C 76 55.187 55.187 56.880 -1.693 25924 376 1 . 1 1 76 76 LYS CB C 76 31.270 31.270 33.297 -2.027 25924 377 1 . 1 1 76 76 LYS H H 76 7.892 7.892 7.739 0.153 25924 378 1 . 1 1 77 77 TYR N N 77 120.225 120.225 118.018 2.207 25924 379 1 . 1 1 77 77 TYR HA H 77 4.044 4.044 4.230 -0.186 25924 380 1 . 1 1 77 77 TYR C C 77 172.041 172.041 173.875 -1.834 25924 381 1 . 1 1 77 77 TYR CA C 77 56.878 56.878 58.296 -1.418 25924 382 1 . 1 1 77 77 TYR CB C 77 35.852 35.852 37.763 -1.911 25924 383 1 . 1 1 77 77 TYR H H 77 8.149 8.149 7.844 0.305 25924 384 1 . 1 1 78 78 ASN N N 78 121.088 121.088 121.288 -0.200 25924 385 1 . 1 1 78 78 ASN HA H 78 4.537 4.537 4.687 -0.150 25924 386 1 . 1 1 78 78 ASN C C 78 171.116 171.116 174.685 -3.570 25924 387 1 . 1 1 78 78 ASN CA C 78 49.866 49.866 52.781 -2.915 25924 388 1 . 1 1 78 78 ASN CB C 78 35.302 35.302 38.796 -3.494 25924 389 1 . 1 1 78 78 ASN H H 78 7.436 7.436 8.013 -0.577 25924 390 1 . 1 1 79 79 PHE N N 79 122.211 122.211 121.475 0.736 25924 391 1 . 1 1 79 79 PHE C C 79 171.220 171.220 174.318 -3.098 25924 392 1 . 1 1 79 79 PHE CA C 79 54.195 54.195 57.374 -3.179 25924 393 1 . 1 1 79 79 PHE CB C 79 35.969 35.969 38.640 -2.671 25924 394 1 . 1 1 79 79 PHE H H 79 7.901 7.901 8.535 -0.634 25924 395 1 . 1 1 80 80 PRO HA H 80 4.367 4.367 4.440 -0.073 25924 396 1 . 1 1 80 80 PRO C C 80 173.721 173.721 176.225 -2.504 25924 397 1 . 1 1 80 80 PRO CA C 80 60.634 60.634 63.609 -2.974 25924 398 1 . 1 1 80 80 PRO CB C 80 29.356 29.356 32.027 -2.671 25924 399 1 . 1 1 81 81 GLN N N 81 120.432 120.432 118.260 2.172 25924 400 1 . 1 1 81 81 GLN HA H 81 4.232 4.232 4.249 -0.017 25924 401 1 . 1 1 81 81 GLN C C 81 172.475 172.475 174.953 -2.478 25924 402 1 . 1 1 81 81 GLN CA C 81 53.216 53.216 56.142 -2.926 25924 403 1 . 1 1 81 81 GLN CB C 81 26.823 26.823 28.889 -2.066 25924 404 1 . 1 1 81 81 GLN H H 81 8.347 8.347 8.320 0.027 25924 stop_ save_