data_17929 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17929 _Entry.PDB_ID 2LJC 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 17929 _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 7 7 ASP N N 24 125.566 125.566 122.414 3.152 17929 2 1 1 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.645 -1.315 17929 3 1 1 . 1 1 7 7 ASP H H 24 8.429 8.429 8.529 -0.100 17929 4 1 1 . 1 1 9 9 LEU N N 26 119.147 119.147 118.592 0.555 17929 5 1 1 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.797 0.691 17929 6 1 1 . 1 1 9 9 LEU H H 26 8.190 8.190 8.035 0.155 17929 7 1 1 . 1 1 10 10 VAL N N 27 121.008 121.008 118.305 2.703 17929 8 1 1 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.427 -0.940 17929 9 1 1 . 1 1 10 10 VAL H H 27 7.255 7.255 7.577 -0.322 17929 10 1 1 . 1 1 11 11 VAL N N 28 123.961 123.961 119.333 4.628 17929 11 1 1 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.306 2.280 17929 12 1 1 . 1 1 11 11 VAL H H 28 8.171 8.171 7.478 0.693 17929 13 1 1 . 1 1 12 12 ALA N N 29 121.779 121.779 122.381 -0.602 17929 14 1 1 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.495 0.401 17929 15 1 1 . 1 1 12 12 ALA H H 29 8.418 8.418 8.087 0.331 17929 16 1 1 . 1 1 13 13 ALA N N 30 118.633 118.633 120.500 -1.867 17929 17 1 1 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.046 0.435 17929 18 1 1 . 1 1 13 13 ALA H H 30 8.636 8.636 7.609 1.027 17929 19 1 1 . 1 1 14 14 SER N N 31 119.981 119.981 115.092 4.889 17929 20 1 1 . 1 1 14 14 SER CA C 31 63.672 63.672 61.615 2.057 17929 21 1 1 . 1 1 14 14 SER H H 31 8.267 8.267 7.500 0.767 17929 22 1 1 . 1 1 15 15 ILE N N 32 122.292 122.292 120.804 1.488 17929 23 1 1 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.147 0.469 17929 24 1 1 . 1 1 15 15 ILE H H 32 7.797 7.797 8.264 -0.467 17929 25 1 1 . 1 1 16 16 ILE N N 33 121.008 121.008 118.942 2.066 17929 26 1 1 . 1 1 16 16 ILE CA C 33 65.538 65.538 64.682 0.856 17929 27 1 1 . 1 1 16 16 ILE H H 33 7.996 7.996 7.399 0.597 17929 28 1 1 . 1 1 17 17 GLY N N 34 123.769 123.769 108.715 15.054 17929 29 1 1 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.431 -0.167 17929 30 1 1 . 1 1 17 17 GLY H H 34 8.061 8.061 7.967 0.094 17929 31 1 1 . 1 1 19 19 LEU N N 36 120.377 120.377 120.834 -0.457 17929 32 1 1 . 1 1 19 19 LEU H H 36 8.113 8.113 7.386 0.727 17929 33 1 1 . 1 1 20 20 HIS N N 37 118.796 118.796 117.680 1.116 17929 34 1 1 . 1 1 20 20 HIS H H 37 9.052 9.052 7.856 1.196 17929 35 1 1 . 1 1 22 22 ILE N N 39 121.245 121.245 118.654 2.591 17929 36 1 1 . 1 1 22 22 ILE H H 39 8.200 8.200 7.661 0.539 17929 37 1 1 . 1 1 23 23 ALA N N 40 121.330 121.330 120.379 0.951 17929 38 1 1 . 1 1 23 23 ALA H H 40 8.835 8.835 8.071 0.764 17929 39 1 1 . 1 1 24 24 TRP N N 41 119.054 119.054 121.200 -2.146 17929 40 1 1 . 1 1 24 24 TRP H H 41 8.520 8.520 7.915 0.605 17929 41 1 1 . 1 1 25 25 THR N N 42 117.474 117.474 113.719 3.755 17929 42 1 1 . 1 1 25 25 THR H H 42 8.068 8.068 7.560 0.508 17929 43 1 1 . 1 1 26 26 ILE N N 43 120.749 120.749 115.445 5.304 17929 44 1 1 . 1 1 26 26 ILE H H 43 8.020 8.020 7.413 0.607 17929 45 1 1 . 1 1 27 27 GLY N N 44 107.156 107.156 108.298 -1.142 17929 46 1 1 . 1 1 27 27 GLY H H 44 8.067 8.067 7.487 0.580 17929 47 1 1 . 1 1 28 28 HIS N N 45 121.329 121.329 122.713 -1.384 17929 48 1 1 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.172 1.294 17929 49 1 1 . 1 1 28 28 HIS H H 45 7.815 7.815 8.025 -0.210 17929 50 1 1 . 1 1 29 29 LEU N N 46 119.724 119.724 118.776 0.948 17929 51 1 1 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.609 -0.352 17929 52 1 1 . 1 1 29 29 LEU H H 46 8.075 8.075 7.633 0.442 17929 53 1 1 . 1 1 30 30 ASN N N 47 117.028 117.028 118.311 -1.283 17929 54 1 1 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.313 -1.402 17929 55 1 1 . 1 1 30 30 ASN H H 47 7.995 7.995 7.783 0.212 17929 56 1 1 . 1 1 31 31 GLN N N 48 118.954 118.954 119.784 -0.830 17929 57 1 1 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.534 -1.549 17929 58 1 1 . 1 1 31 31 GLN H H 48 7.672 7.672 7.640 0.032 17929 59 1 1 . 1 1 32 32 ILE N N 49 119.836 119.836 119.024 0.812 17929 60 1 1 . 1 1 32 32 ILE H H 49 7.679 7.679 7.261 0.418 17929 61 1 1 . 1 1 33 33 LYS N N 50 124.429 124.429 119.178 5.251 17929 62 1 1 . 1 1 33 33 LYS H H 50 8.018 8.018 7.751 0.267 17929 63 1 2 . 1 1 7 7 ASP N N 24 125.566 125.566 121.563 4.003 17929 64 1 2 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.431 -1.101 17929 65 1 2 . 1 1 7 7 ASP H H 24 8.429 8.429 8.398 0.031 17929 66 1 2 . 1 1 9 9 LEU N N 26 119.147 119.147 118.442 0.705 17929 67 1 2 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.777 0.711 17929 68 1 2 . 1 1 9 9 LEU H H 26 8.190 8.190 7.898 0.292 17929 69 1 2 . 1 1 10 10 VAL N N 27 121.008 121.008 118.166 2.842 17929 70 1 2 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.650 -1.163 17929 71 1 2 . 1 1 10 10 VAL H H 27 7.255 7.255 8.148 -0.893 17929 72 1 2 . 1 1 11 11 VAL N N 28 123.961 123.961 119.391 4.570 17929 73 1 2 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.305 2.281 17929 74 1 2 . 1 1 11 11 VAL H H 28 8.171 8.171 7.703 0.468 17929 75 1 2 . 1 1 12 12 ALA N N 29 121.779 121.779 122.381 -0.602 17929 76 1 2 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.565 0.331 17929 77 1 2 . 1 1 12 12 ALA H H 29 8.418 8.418 8.197 0.221 17929 78 1 2 . 1 1 13 13 ALA N N 30 118.633 118.633 120.425 -1.792 17929 79 1 2 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.107 0.374 17929 80 1 2 . 1 1 13 13 ALA H H 30 8.636 8.636 7.615 1.021 17929 81 1 2 . 1 1 14 14 SER N N 31 119.981 119.981 115.058 4.923 17929 82 1 2 . 1 1 14 14 SER CA C 31 63.672 63.672 61.579 2.093 17929 83 1 2 . 1 1 14 14 SER H H 31 8.267 8.267 7.482 0.785 17929 84 1 2 . 1 1 15 15 ILE N N 32 122.292 122.292 121.598 0.694 17929 85 1 2 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.247 0.369 17929 86 1 2 . 1 1 15 15 ILE H H 32 7.797 7.797 8.260 -0.463 17929 87 1 2 . 1 1 16 16 ILE N N 33 121.008 121.008 118.813 2.195 17929 88 1 2 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.221 0.317 17929 89 1 2 . 1 1 16 16 ILE H H 33 7.996 7.996 7.604 0.392 17929 90 1 2 . 1 1 17 17 GLY N N 34 123.769 123.769 108.264 15.505 17929 91 1 2 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.302 -0.038 17929 92 1 2 . 1 1 17 17 GLY H H 34 8.061 8.061 7.872 0.189 17929 93 1 2 . 1 1 19 19 LEU N N 36 120.377 120.377 120.666 -0.289 17929 94 1 2 . 1 1 19 19 LEU H H 36 8.113 8.113 7.483 0.630 17929 95 1 2 . 1 1 20 20 HIS N N 37 118.796 118.796 116.483 2.313 17929 96 1 2 . 1 1 20 20 HIS H H 37 9.052 9.052 7.859 1.193 17929 97 1 2 . 1 1 22 22 ILE N N 39 121.245 121.245 117.597 3.648 17929 98 1 2 . 1 1 22 22 ILE H H 39 8.200 8.200 7.846 0.354 17929 99 1 2 . 1 1 23 23 ALA N N 40 121.330 121.330 121.693 -0.363 17929 100 1 2 . 1 1 23 23 ALA H H 40 8.835 8.835 7.556 1.279 17929 101 1 2 . 1 1 24 24 TRP N N 41 119.054 119.054 121.114 -2.060 17929 102 1 2 . 1 1 24 24 TRP H H 41 8.520 8.520 7.922 0.598 17929 103 1 2 . 1 1 25 25 THR N N 42 117.474 117.474 114.404 3.070 17929 104 1 2 . 1 1 25 25 THR H H 42 8.068 8.068 7.477 0.591 17929 105 1 2 . 1 1 26 26 ILE N N 43 120.749 120.749 117.080 3.669 17929 106 1 2 . 1 1 26 26 ILE H H 43 8.020 8.020 7.388 0.632 17929 107 1 2 . 1 1 27 27 GLY N N 44 107.156 107.156 108.451 -1.295 17929 108 1 2 . 1 1 27 27 GLY H H 44 8.067 8.067 7.756 0.311 17929 109 1 2 . 1 1 28 28 HIS N N 45 121.329 121.329 123.085 -1.756 17929 110 1 2 . 1 1 28 28 HIS CA C 45 59.466 59.466 59.534 -0.068 17929 111 1 2 . 1 1 28 28 HIS H H 45 7.815 7.815 8.214 -0.399 17929 112 1 2 . 1 1 29 29 LEU N N 46 119.724 119.724 118.064 1.660 17929 113 1 2 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.941 -0.683 17929 114 1 2 . 1 1 29 29 LEU H H 46 8.075 8.075 7.684 0.391 17929 115 1 2 . 1 1 30 30 ASN N N 47 117.028 117.028 118.229 -1.201 17929 116 1 2 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.107 -1.196 17929 117 1 2 . 1 1 30 30 ASN H H 47 7.995 7.995 8.178 -0.183 17929 118 1 2 . 1 1 31 31 GLN N N 48 118.954 118.954 119.998 -1.044 17929 119 1 2 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.442 -1.457 17929 120 1 2 . 1 1 31 31 GLN H H 48 7.672 7.672 7.488 0.184 17929 121 1 2 . 1 1 32 32 ILE N N 49 119.836 119.836 118.084 1.752 17929 122 1 2 . 1 1 32 32 ILE H H 49 7.679 7.679 7.521 0.158 17929 123 1 2 . 1 1 33 33 LYS N N 50 124.429 124.429 119.209 5.220 17929 124 1 2 . 1 1 33 33 LYS H H 50 8.018 8.018 8.056 -0.038 17929 125 1 3 . 1 1 7 7 ASP N N 24 125.566 125.566 121.890 3.676 17929 126 1 3 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.477 -1.147 17929 127 1 3 . 1 1 7 7 ASP H H 24 8.429 8.429 8.432 -0.003 17929 128 1 3 . 1 1 9 9 LEU N N 26 119.147 119.147 120.259 -1.112 17929 129 1 3 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.842 0.646 17929 130 1 3 . 1 1 9 9 LEU H H 26 8.190 8.190 7.938 0.252 17929 131 1 3 . 1 1 10 10 VAL N N 27 121.008 121.008 118.276 2.732 17929 132 1 3 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.145 -0.658 17929 133 1 3 . 1 1 10 10 VAL H H 27 7.255 7.255 7.399 -0.144 17929 134 1 3 . 1 1 11 11 VAL N N 28 123.961 123.961 118.958 5.003 17929 135 1 3 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.131 2.455 17929 136 1 3 . 1 1 11 11 VAL H H 28 8.171 8.171 7.463 0.708 17929 137 1 3 . 1 1 12 12 ALA N N 29 121.779 121.779 122.536 -0.757 17929 138 1 3 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.371 0.525 17929 139 1 3 . 1 1 12 12 ALA H H 29 8.418 8.418 7.701 0.717 17929 140 1 3 . 1 1 13 13 ALA N N 30 118.633 118.633 120.579 -1.946 17929 141 1 3 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.112 0.369 17929 142 1 3 . 1 1 13 13 ALA H H 30 8.636 8.636 7.633 1.003 17929 143 1 3 . 1 1 14 14 SER N N 31 119.981 119.981 115.001 4.980 17929 144 1 3 . 1 1 14 14 SER CA C 31 63.672 63.672 61.477 2.195 17929 145 1 3 . 1 1 14 14 SER H H 31 8.267 8.267 7.528 0.739 17929 146 1 3 . 1 1 15 15 ILE N N 32 122.292 122.292 121.666 0.626 17929 147 1 3 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.226 0.390 17929 148 1 3 . 1 1 15 15 ILE H H 32 7.797 7.797 8.005 -0.208 17929 149 1 3 . 1 1 16 16 ILE N N 33 121.008 121.008 118.939 2.069 17929 150 1 3 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.264 0.274 17929 151 1 3 . 1 1 16 16 ILE H H 33 7.996 7.996 7.557 0.439 17929 152 1 3 . 1 1 17 17 GLY N N 34 123.769 123.769 108.164 15.605 17929 153 1 3 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.360 -0.096 17929 154 1 3 . 1 1 17 17 GLY H H 34 8.061 8.061 8.093 -0.032 17929 155 1 3 . 1 1 19 19 LEU N N 36 120.377 120.377 120.407 -0.030 17929 156 1 3 . 1 1 19 19 LEU H H 36 8.113 8.113 7.366 0.747 17929 157 1 3 . 1 1 20 20 HIS N N 37 118.796 118.796 117.364 1.432 17929 158 1 3 . 1 1 20 20 HIS H H 37 9.052 9.052 7.770 1.282 17929 159 1 3 . 1 1 22 22 ILE N N 39 121.245 121.245 116.531 4.714 17929 160 1 3 . 1 1 22 22 ILE H H 39 8.200 8.200 7.972 0.228 17929 161 1 3 . 1 1 23 23 ALA N N 40 121.330 121.330 122.703 -1.373 17929 162 1 3 . 1 1 23 23 ALA H H 40 8.835 8.835 7.479 1.356 17929 163 1 3 . 1 1 24 24 TRP N N 41 119.054 119.054 120.825 -1.771 17929 164 1 3 . 1 1 24 24 TRP H H 41 8.520 8.520 8.467 0.053 17929 165 1 3 . 1 1 25 25 THR N N 42 117.474 117.474 114.154 3.320 17929 166 1 3 . 1 1 25 25 THR H H 42 8.068 8.068 7.557 0.511 17929 167 1 3 . 1 1 26 26 ILE N N 43 120.749 120.749 117.803 2.946 17929 168 1 3 . 1 1 26 26 ILE H H 43 8.020 8.020 7.458 0.562 17929 169 1 3 . 1 1 27 27 GLY N N 44 107.156 107.156 108.501 -1.345 17929 170 1 3 . 1 1 27 27 GLY H H 44 8.067 8.067 7.747 0.320 17929 171 1 3 . 1 1 28 28 HIS N N 45 121.329 121.329 123.070 -1.741 17929 172 1 3 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.379 1.087 17929 173 1 3 . 1 1 28 28 HIS H H 45 7.815 7.815 7.960 -0.145 17929 174 1 3 . 1 1 29 29 LEU N N 46 119.724 119.724 118.860 0.864 17929 175 1 3 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.749 -0.491 17929 176 1 3 . 1 1 29 29 LEU H H 46 8.075 8.075 7.687 0.388 17929 177 1 3 . 1 1 30 30 ASN N N 47 117.028 117.028 118.081 -1.053 17929 178 1 3 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.972 -1.061 17929 179 1 3 . 1 1 30 30 ASN H H 47 7.995 7.995 8.235 -0.240 17929 180 1 3 . 1 1 31 31 GLN N N 48 118.954 118.954 120.324 -1.370 17929 181 1 3 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.601 -1.616 17929 182 1 3 . 1 1 31 31 GLN H H 48 7.672 7.672 7.529 0.143 17929 183 1 3 . 1 1 32 32 ILE N N 49 119.836 119.836 117.923 1.913 17929 184 1 3 . 1 1 32 32 ILE H H 49 7.679 7.679 7.220 0.459 17929 185 1 3 . 1 1 33 33 LYS N N 50 124.429 124.429 119.932 4.497 17929 186 1 3 . 1 1 33 33 LYS H H 50 8.018 8.018 7.929 0.089 17929 187 1 4 . 1 1 7 7 ASP N N 24 125.566 125.566 122.722 2.844 17929 188 1 4 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.411 -1.081 17929 189 1 4 . 1 1 7 7 ASP H H 24 8.429 8.429 8.551 -0.122 17929 190 1 4 . 1 1 9 9 LEU N N 26 119.147 119.147 117.922 1.225 17929 191 1 4 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.596 0.892 17929 192 1 4 . 1 1 9 9 LEU H H 26 8.190 8.190 7.816 0.374 17929 193 1 4 . 1 1 10 10 VAL N N 27 121.008 121.008 118.133 2.875 17929 194 1 4 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.370 -0.883 17929 195 1 4 . 1 1 10 10 VAL H H 27 7.255 7.255 7.730 -0.475 17929 196 1 4 . 1 1 11 11 VAL N N 28 123.961 123.961 119.303 4.658 17929 197 1 4 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.984 2.602 17929 198 1 4 . 1 1 11 11 VAL H H 28 8.171 8.171 7.241 0.930 17929 199 1 4 . 1 1 12 12 ALA N N 29 121.779 121.779 122.491 -0.712 17929 200 1 4 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.479 0.417 17929 201 1 4 . 1 1 12 12 ALA H H 29 8.418 8.418 7.816 0.602 17929 202 1 4 . 1 1 13 13 ALA N N 30 118.633 118.633 120.322 -1.689 17929 203 1 4 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.023 0.459 17929 204 1 4 . 1 1 13 13 ALA H H 30 8.636 8.636 7.641 0.995 17929 205 1 4 . 1 1 14 14 SER N N 31 119.981 119.981 114.633 5.348 17929 206 1 4 . 1 1 14 14 SER CA C 31 63.672 63.672 61.181 2.490 17929 207 1 4 . 1 1 14 14 SER H H 31 8.267 8.267 7.504 0.763 17929 208 1 4 . 1 1 15 15 ILE N N 32 122.292 122.292 121.672 0.620 17929 209 1 4 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.465 0.151 17929 210 1 4 . 1 1 15 15 ILE H H 32 7.797 7.797 8.123 -0.326 17929 211 1 4 . 1 1 16 16 ILE N N 33 121.008 121.008 119.217 1.791 17929 212 1 4 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.605 -0.066 17929 213 1 4 . 1 1 16 16 ILE H H 33 7.996 7.996 7.598 0.398 17929 214 1 4 . 1 1 17 17 GLY N N 34 123.769 123.769 108.340 15.429 17929 215 1 4 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.300 -0.036 17929 216 1 4 . 1 1 17 17 GLY H H 34 8.061 8.061 7.821 0.240 17929 217 1 4 . 1 1 19 19 LEU N N 36 120.377 120.377 120.870 -0.493 17929 218 1 4 . 1 1 19 19 LEU H H 36 8.113 8.113 8.091 0.022 17929 219 1 4 . 1 1 20 20 HIS N N 37 118.796 118.796 117.925 0.871 17929 220 1 4 . 1 1 20 20 HIS H H 37 9.052 9.052 8.856 0.196 17929 221 1 4 . 1 1 22 22 ILE N N 39 121.245 121.245 118.087 3.158 17929 222 1 4 . 1 1 22 22 ILE H H 39 8.200 8.200 7.777 0.423 17929 223 1 4 . 1 1 23 23 ALA N N 40 121.330 121.330 121.422 -0.092 17929 224 1 4 . 1 1 23 23 ALA H H 40 8.835 8.835 7.351 1.484 17929 225 1 4 . 1 1 24 24 TRP N N 41 119.054 119.054 120.929 -1.875 17929 226 1 4 . 1 1 24 24 TRP H H 41 8.520 8.520 7.703 0.817 17929 227 1 4 . 1 1 25 25 THR N N 42 117.474 117.474 114.679 2.795 17929 228 1 4 . 1 1 25 25 THR H H 42 8.068 8.068 7.351 0.717 17929 229 1 4 . 1 1 26 26 ILE N N 43 120.749 120.749 116.377 4.372 17929 230 1 4 . 1 1 26 26 ILE H H 43 8.020 8.020 7.370 0.650 17929 231 1 4 . 1 1 27 27 GLY N N 44 107.156 107.156 108.527 -1.371 17929 232 1 4 . 1 1 27 27 GLY H H 44 8.067 8.067 7.663 0.404 17929 233 1 4 . 1 1 28 28 HIS N N 45 121.329 121.329 123.057 -1.728 17929 234 1 4 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.383 1.083 17929 235 1 4 . 1 1 28 28 HIS H H 45 7.815 7.815 7.948 -0.133 17929 236 1 4 . 1 1 29 29 LEU N N 46 119.724 119.724 118.737 0.987 17929 237 1 4 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.675 -0.417 17929 238 1 4 . 1 1 29 29 LEU H H 46 8.075 8.075 7.657 0.418 17929 239 1 4 . 1 1 30 30 ASN N N 47 117.028 117.028 117.877 -0.849 17929 240 1 4 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.179 -1.268 17929 241 1 4 . 1 1 30 30 ASN H H 47 7.995 7.995 8.150 -0.155 17929 242 1 4 . 1 1 31 31 GLN N N 48 118.954 118.954 120.069 -1.115 17929 243 1 4 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.495 -1.510 17929 244 1 4 . 1 1 31 31 GLN H H 48 7.672 7.672 7.675 -0.003 17929 245 1 4 . 1 1 32 32 ILE N N 49 119.836 119.836 117.566 2.270 17929 246 1 4 . 1 1 32 32 ILE H H 49 7.679 7.679 7.300 0.379 17929 247 1 4 . 1 1 33 33 LYS N N 50 124.429 124.429 119.199 5.230 17929 248 1 4 . 1 1 33 33 LYS H H 50 8.018 8.018 7.914 0.104 17929 249 1 5 . 1 1 7 7 ASP N N 24 125.566 125.566 122.793 2.773 17929 250 1 5 . 1 1 7 7 ASP CA C 24 53.330 53.330 53.710 -0.380 17929 251 1 5 . 1 1 7 7 ASP H H 24 8.429 8.429 8.311 0.118 17929 252 1 5 . 1 1 9 9 LEU N N 26 119.147 119.147 118.911 0.236 17929 253 1 5 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.218 1.270 17929 254 1 5 . 1 1 9 9 LEU H H 26 8.190 8.190 7.965 0.225 17929 255 1 5 . 1 1 10 10 VAL N N 27 121.008 121.008 118.471 2.537 17929 256 1 5 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.038 -0.551 17929 257 1 5 . 1 1 10 10 VAL H H 27 7.255 7.255 7.285 -0.030 17929 258 1 5 . 1 1 11 11 VAL N N 28 123.961 123.961 119.340 4.621 17929 259 1 5 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.812 2.774 17929 260 1 5 . 1 1 11 11 VAL H H 28 8.171 8.171 7.940 0.231 17929 261 1 5 . 1 1 12 12 ALA N N 29 121.779 121.779 120.796 0.983 17929 262 1 5 . 1 1 12 12 ALA CA C 29 55.896 55.896 54.972 0.924 17929 263 1 5 . 1 1 12 12 ALA H H 29 8.418 8.418 8.043 0.375 17929 264 1 5 . 1 1 13 13 ALA N N 30 118.633 118.633 120.029 -1.396 17929 265 1 5 . 1 1 13 13 ALA CA C 30 55.481 55.481 54.984 0.497 17929 266 1 5 . 1 1 13 13 ALA H H 30 8.636 8.636 7.647 0.989 17929 267 1 5 . 1 1 14 14 SER N N 31 119.981 119.981 115.019 4.962 17929 268 1 5 . 1 1 14 14 SER CA C 31 63.672 63.672 61.460 2.212 17929 269 1 5 . 1 1 14 14 SER H H 31 8.267 8.267 7.688 0.579 17929 270 1 5 . 1 1 15 15 ILE N N 32 122.292 122.292 120.731 1.561 17929 271 1 5 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.316 0.300 17929 272 1 5 . 1 1 15 15 ILE H H 32 7.797 7.797 7.623 0.174 17929 273 1 5 . 1 1 16 16 ILE N N 33 121.008 121.008 118.832 2.176 17929 274 1 5 . 1 1 16 16 ILE CA C 33 65.538 65.538 64.507 1.031 17929 275 1 5 . 1 1 16 16 ILE H H 33 7.996 7.996 7.544 0.452 17929 276 1 5 . 1 1 17 17 GLY N N 34 123.769 123.769 108.764 15.005 17929 277 1 5 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.500 -0.236 17929 278 1 5 . 1 1 17 17 GLY H H 34 8.061 8.061 7.996 0.065 17929 279 1 5 . 1 1 19 19 LEU N N 36 120.377 120.377 121.699 -1.322 17929 280 1 5 . 1 1 19 19 LEU H H 36 8.113 8.113 7.309 0.804 17929 281 1 5 . 1 1 20 20 HIS N N 37 118.796 118.796 117.083 1.713 17929 282 1 5 . 1 1 20 20 HIS H H 37 9.052 9.052 7.901 1.151 17929 283 1 5 . 1 1 22 22 ILE N N 39 121.245 121.245 117.838 3.407 17929 284 1 5 . 1 1 22 22 ILE H H 39 8.200 8.200 7.949 0.251 17929 285 1 5 . 1 1 23 23 ALA N N 40 121.330 121.330 122.431 -1.101 17929 286 1 5 . 1 1 23 23 ALA H H 40 8.835 8.835 7.520 1.315 17929 287 1 5 . 1 1 24 24 TRP N N 41 119.054 119.054 121.005 -1.951 17929 288 1 5 . 1 1 24 24 TRP H H 41 8.520 8.520 8.158 0.362 17929 289 1 5 . 1 1 25 25 THR N N 42 117.474 117.474 114.558 2.916 17929 290 1 5 . 1 1 25 25 THR H H 42 8.068 8.068 7.561 0.507 17929 291 1 5 . 1 1 26 26 ILE N N 43 120.749 120.749 116.572 4.177 17929 292 1 5 . 1 1 26 26 ILE H H 43 8.020 8.020 7.455 0.565 17929 293 1 5 . 1 1 27 27 GLY N N 44 107.156 107.156 108.808 -1.652 17929 294 1 5 . 1 1 27 27 GLY H H 44 8.067 8.067 7.672 0.395 17929 295 1 5 . 1 1 28 28 HIS N N 45 121.329 121.329 123.021 -1.692 17929 296 1 5 . 1 1 28 28 HIS CA C 45 59.466 59.466 59.093 0.374 17929 297 1 5 . 1 1 28 28 HIS H H 45 7.815 7.815 8.083 -0.268 17929 298 1 5 . 1 1 29 29 LEU N N 46 119.724 119.724 118.874 0.850 17929 299 1 5 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.752 -0.494 17929 300 1 5 . 1 1 29 29 LEU H H 46 8.075 8.075 7.648 0.427 17929 301 1 5 . 1 1 30 30 ASN N N 47 117.028 117.028 118.100 -1.072 17929 302 1 5 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.856 -0.945 17929 303 1 5 . 1 1 30 30 ASN H H 47 7.995 7.995 8.114 -0.119 17929 304 1 5 . 1 1 31 31 GLN N N 48 118.954 118.954 120.261 -1.307 17929 305 1 5 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.492 -1.507 17929 306 1 5 . 1 1 31 31 GLN H H 48 7.672 7.672 7.563 0.109 17929 307 1 5 . 1 1 32 32 ILE N N 49 119.836 119.836 118.264 1.572 17929 308 1 5 . 1 1 32 32 ILE H H 49 7.679 7.679 7.367 0.312 17929 309 1 5 . 1 1 33 33 LYS N N 50 124.429 124.429 119.265 5.164 17929 310 1 5 . 1 1 33 33 LYS H H 50 8.018 8.018 7.737 0.281 17929 311 1 6 . 1 1 7 7 ASP N N 24 125.566 125.566 122.248 3.318 17929 312 1 6 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.074 -0.744 17929 313 1 6 . 1 1 7 7 ASP H H 24 8.429 8.429 8.322 0.107 17929 314 1 6 . 1 1 9 9 LEU N N 26 119.147 119.147 119.020 0.127 17929 315 1 6 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.635 0.854 17929 316 1 6 . 1 1 9 9 LEU H H 26 8.190 8.190 7.860 0.330 17929 317 1 6 . 1 1 10 10 VAL N N 27 121.008 121.008 117.952 3.056 17929 318 1 6 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.013 -0.526 17929 319 1 6 . 1 1 10 10 VAL H H 27 7.255 7.255 7.303 -0.048 17929 320 1 6 . 1 1 11 11 VAL N N 28 123.961 123.961 119.147 4.814 17929 321 1 6 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.534 3.053 17929 322 1 6 . 1 1 11 11 VAL H H 28 8.171 8.171 7.910 0.261 17929 323 1 6 . 1 1 12 12 ALA N N 29 121.779 121.779 120.756 1.023 17929 324 1 6 . 1 1 12 12 ALA CA C 29 55.896 55.896 54.893 1.003 17929 325 1 6 . 1 1 12 12 ALA H H 29 8.418 8.418 8.419 -0.001 17929 326 1 6 . 1 1 13 13 ALA N N 30 118.633 118.633 120.232 -1.599 17929 327 1 6 . 1 1 13 13 ALA CA C 30 55.481 55.481 54.756 0.725 17929 328 1 6 . 1 1 13 13 ALA H H 30 8.636 8.636 7.550 1.086 17929 329 1 6 . 1 1 14 14 SER N N 31 119.981 119.981 114.655 5.326 17929 330 1 6 . 1 1 14 14 SER CA C 31 63.672 63.672 61.437 2.235 17929 331 1 6 . 1 1 14 14 SER H H 31 8.267 8.267 7.808 0.459 17929 332 1 6 . 1 1 15 15 ILE N N 32 122.292 122.292 120.704 1.588 17929 333 1 6 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.266 0.350 17929 334 1 6 . 1 1 15 15 ILE H H 32 7.797 7.797 7.462 0.335 17929 335 1 6 . 1 1 16 16 ILE N N 33 121.008 121.008 118.761 2.247 17929 336 1 6 . 1 1 16 16 ILE CA C 33 65.538 65.538 64.497 1.041 17929 337 1 6 . 1 1 16 16 ILE H H 33 7.996 7.996 7.564 0.432 17929 338 1 6 . 1 1 17 17 GLY N N 34 123.769 123.769 108.935 14.834 17929 339 1 6 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.372 -0.108 17929 340 1 6 . 1 1 17 17 GLY H H 34 8.061 8.061 7.813 0.248 17929 341 1 6 . 1 1 19 19 LEU N N 36 120.377 120.377 120.624 -0.247 17929 342 1 6 . 1 1 19 19 LEU H H 36 8.113 8.113 7.301 0.812 17929 343 1 6 . 1 1 20 20 HIS N N 37 118.796 118.796 116.981 1.815 17929 344 1 6 . 1 1 20 20 HIS H H 37 9.052 9.052 7.815 1.237 17929 345 1 6 . 1 1 22 22 ILE N N 39 121.245 121.245 117.842 3.403 17929 346 1 6 . 1 1 22 22 ILE H H 39 8.200 8.200 7.981 0.219 17929 347 1 6 . 1 1 23 23 ALA N N 40 121.330 121.330 121.769 -0.439 17929 348 1 6 . 1 1 23 23 ALA H H 40 8.835 8.835 7.493 1.342 17929 349 1 6 . 1 1 24 24 TRP N N 41 119.054 119.054 121.059 -2.005 17929 350 1 6 . 1 1 24 24 TRP H H 41 8.520 8.520 7.857 0.663 17929 351 1 6 . 1 1 25 25 THR N N 42 117.474 117.474 114.368 3.106 17929 352 1 6 . 1 1 25 25 THR H H 42 8.068 8.068 7.496 0.572 17929 353 1 6 . 1 1 26 26 ILE N N 43 120.749 120.749 116.569 4.180 17929 354 1 6 . 1 1 26 26 ILE H H 43 8.020 8.020 7.407 0.613 17929 355 1 6 . 1 1 27 27 GLY N N 44 107.156 107.156 108.682 -1.526 17929 356 1 6 . 1 1 27 27 GLY H H 44 8.067 8.067 7.705 0.362 17929 357 1 6 . 1 1 28 28 HIS N N 45 121.329 121.329 123.088 -1.759 17929 358 1 6 . 1 1 28 28 HIS CA C 45 59.466 59.466 59.286 0.180 17929 359 1 6 . 1 1 28 28 HIS H H 45 7.815 7.815 7.928 -0.113 17929 360 1 6 . 1 1 29 29 LEU N N 46 119.724 119.724 117.882 1.842 17929 361 1 6 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.848 -0.590 17929 362 1 6 . 1 1 29 29 LEU H H 46 8.075 8.075 7.587 0.488 17929 363 1 6 . 1 1 30 30 ASN N N 47 117.028 117.028 117.776 -0.748 17929 364 1 6 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.359 -1.448 17929 365 1 6 . 1 1 30 30 ASN H H 47 7.995 7.995 8.191 -0.196 17929 366 1 6 . 1 1 31 31 GLN N N 48 118.954 118.954 119.997 -1.043 17929 367 1 6 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.462 -1.477 17929 368 1 6 . 1 1 31 31 GLN H H 48 7.672 7.672 7.538 0.134 17929 369 1 6 . 1 1 32 32 ILE N N 49 119.836 119.836 117.552 2.284 17929 370 1 6 . 1 1 32 32 ILE H H 49 7.679 7.679 7.469 0.210 17929 371 1 6 . 1 1 33 33 LYS N N 50 124.429 124.429 119.420 5.009 17929 372 1 6 . 1 1 33 33 LYS H H 50 8.018 8.018 7.446 0.572 17929 373 1 7 . 1 1 7 7 ASP N N 24 125.566 125.566 122.324 3.242 17929 374 1 7 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.076 -0.746 17929 375 1 7 . 1 1 7 7 ASP H H 24 8.429 8.429 8.328 0.101 17929 376 1 7 . 1 1 9 9 LEU N N 26 119.147 119.147 119.083 0.064 17929 377 1 7 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.501 0.987 17929 378 1 7 . 1 1 9 9 LEU H H 26 8.190 8.190 7.854 0.336 17929 379 1 7 . 1 1 10 10 VAL N N 27 121.008 121.008 118.024 2.984 17929 380 1 7 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.038 -0.551 17929 381 1 7 . 1 1 10 10 VAL H H 27 7.255 7.255 7.282 -0.027 17929 382 1 7 . 1 1 11 11 VAL N N 28 123.961 123.961 119.175 4.786 17929 383 1 7 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.591 2.995 17929 384 1 7 . 1 1 11 11 VAL H H 28 8.171 8.171 7.920 0.251 17929 385 1 7 . 1 1 12 12 ALA N N 29 121.779 121.779 120.706 1.073 17929 386 1 7 . 1 1 12 12 ALA CA C 29 55.896 55.896 54.824 1.072 17929 387 1 7 . 1 1 12 12 ALA H H 29 8.418 8.418 8.103 0.315 17929 388 1 7 . 1 1 13 13 ALA N N 30 118.633 118.633 120.645 -2.012 17929 389 1 7 . 1 1 13 13 ALA CA C 30 55.481 55.481 54.835 0.646 17929 390 1 7 . 1 1 13 13 ALA H H 30 8.636 8.636 7.437 1.199 17929 391 1 7 . 1 1 14 14 SER N N 31 119.981 119.981 115.108 4.873 17929 392 1 7 . 1 1 14 14 SER CA C 31 63.672 63.672 61.395 2.277 17929 393 1 7 . 1 1 14 14 SER H H 31 8.267 8.267 7.673 0.594 17929 394 1 7 . 1 1 15 15 ILE N N 32 122.292 122.292 121.062 1.230 17929 395 1 7 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.050 0.566 17929 396 1 7 . 1 1 15 15 ILE H H 32 7.797 7.797 7.342 0.455 17929 397 1 7 . 1 1 16 16 ILE N N 33 121.008 121.008 119.007 2.001 17929 398 1 7 . 1 1 16 16 ILE CA C 33 65.538 65.538 64.998 0.540 17929 399 1 7 . 1 1 16 16 ILE H H 33 7.996 7.996 7.617 0.379 17929 400 1 7 . 1 1 17 17 GLY N N 34 123.769 123.769 108.779 14.990 17929 401 1 7 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.322 -0.058 17929 402 1 7 . 1 1 17 17 GLY H H 34 8.061 8.061 7.546 0.515 17929 403 1 7 . 1 1 19 19 LEU N N 36 120.377 120.377 121.389 -1.012 17929 404 1 7 . 1 1 19 19 LEU H H 36 8.113 8.113 7.501 0.612 17929 405 1 7 . 1 1 20 20 HIS N N 37 118.796 118.796 118.107 0.689 17929 406 1 7 . 1 1 20 20 HIS H H 37 9.052 9.052 8.758 0.294 17929 407 1 7 . 1 1 22 22 ILE N N 39 121.245 121.245 117.973 3.272 17929 408 1 7 . 1 1 22 22 ILE H H 39 8.200 8.200 7.971 0.229 17929 409 1 7 . 1 1 23 23 ALA N N 40 121.330 121.330 121.579 -0.249 17929 410 1 7 . 1 1 23 23 ALA H H 40 8.835 8.835 7.469 1.366 17929 411 1 7 . 1 1 24 24 TRP N N 41 119.054 119.054 120.931 -1.877 17929 412 1 7 . 1 1 24 24 TRP H H 41 8.520 8.520 7.722 0.798 17929 413 1 7 . 1 1 25 25 THR N N 42 117.474 117.474 114.575 2.899 17929 414 1 7 . 1 1 25 25 THR H H 42 8.068 8.068 7.423 0.645 17929 415 1 7 . 1 1 26 26 ILE N N 43 120.749 120.749 116.410 4.339 17929 416 1 7 . 1 1 26 26 ILE H H 43 8.020 8.020 7.394 0.626 17929 417 1 7 . 1 1 27 27 GLY N N 44 107.156 107.156 108.552 -1.396 17929 418 1 7 . 1 1 27 27 GLY H H 44 8.067 8.067 7.706 0.361 17929 419 1 7 . 1 1 28 28 HIS N N 45 121.329 121.329 123.030 -1.701 17929 420 1 7 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.786 0.680 17929 421 1 7 . 1 1 28 28 HIS H H 45 7.815 7.815 7.775 0.040 17929 422 1 7 . 1 1 29 29 LEU N N 46 119.724 119.724 117.884 1.840 17929 423 1 7 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.640 -0.382 17929 424 1 7 . 1 1 29 29 LEU H H 46 8.075 8.075 7.540 0.535 17929 425 1 7 . 1 1 30 30 ASN N N 47 117.028 117.028 116.643 0.385 17929 426 1 7 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.387 -0.476 17929 427 1 7 . 1 1 30 30 ASN H H 47 7.995 7.995 7.843 0.152 17929 428 1 7 . 1 1 31 31 GLN N N 48 118.954 118.954 119.994 -1.040 17929 429 1 7 . 1 1 31 31 GLN CA C 48 56.985 56.985 56.618 0.367 17929 430 1 7 . 1 1 31 31 GLN H H 48 7.672 7.672 7.694 -0.022 17929 431 1 7 . 1 1 32 32 ILE N N 49 119.836 119.836 124.017 -4.181 17929 432 1 7 . 1 1 32 32 ILE H H 49 7.679 7.679 8.374 -0.695 17929 433 1 7 . 1 1 33 33 LYS N N 50 124.429 124.429 120.923 3.506 17929 434 1 7 . 1 1 33 33 LYS H H 50 8.018 8.018 8.154 -0.136 17929 435 1 8 . 1 1 7 7 ASP N N 24 125.566 125.566 122.059 3.507 17929 436 1 8 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.188 -0.858 17929 437 1 8 . 1 1 7 7 ASP H H 24 8.429 8.429 8.211 0.218 17929 438 1 8 . 1 1 9 9 LEU N N 26 119.147 119.147 116.780 2.367 17929 439 1 8 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.720 0.768 17929 440 1 8 . 1 1 9 9 LEU H H 26 8.190 8.190 7.930 0.260 17929 441 1 8 . 1 1 10 10 VAL N N 27 121.008 121.008 118.948 2.060 17929 442 1 8 . 1 1 10 10 VAL CA C 27 65.487 65.487 65.285 0.202 17929 443 1 8 . 1 1 10 10 VAL H H 27 7.255 7.255 7.755 -0.500 17929 444 1 8 . 1 1 11 11 VAL N N 28 123.961 123.961 119.119 4.842 17929 445 1 8 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.251 3.334 17929 446 1 8 . 1 1 11 11 VAL H H 28 8.171 8.171 7.775 0.396 17929 447 1 8 . 1 1 12 12 ALA N N 29 121.779 121.779 121.066 0.713 17929 448 1 8 . 1 1 12 12 ALA CA C 29 55.896 55.896 54.959 0.937 17929 449 1 8 . 1 1 12 12 ALA H H 29 8.418 8.418 8.560 -0.142 17929 450 1 8 . 1 1 13 13 ALA N N 30 118.633 118.633 120.701 -2.068 17929 451 1 8 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.071 0.410 17929 452 1 8 . 1 1 13 13 ALA H H 30 8.636 8.636 7.573 1.063 17929 453 1 8 . 1 1 14 14 SER N N 31 119.981 119.981 114.485 5.496 17929 454 1 8 . 1 1 14 14 SER CA C 31 63.672 63.672 61.681 1.991 17929 455 1 8 . 1 1 14 14 SER H H 31 8.267 8.267 7.827 0.440 17929 456 1 8 . 1 1 15 15 ILE N N 32 122.292 122.292 120.785 1.507 17929 457 1 8 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.114 0.502 17929 458 1 8 . 1 1 15 15 ILE H H 32 7.797 7.797 7.495 0.302 17929 459 1 8 . 1 1 16 16 ILE N N 33 121.008 121.008 118.691 2.317 17929 460 1 8 . 1 1 16 16 ILE CA C 33 65.538 65.538 64.454 1.083 17929 461 1 8 . 1 1 16 16 ILE H H 33 7.996 7.996 7.555 0.441 17929 462 1 8 . 1 1 17 17 GLY N N 34 123.769 123.769 108.943 14.826 17929 463 1 8 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.443 -0.179 17929 464 1 8 . 1 1 17 17 GLY H H 34 8.061 8.061 7.914 0.147 17929 465 1 8 . 1 1 19 19 LEU N N 36 120.377 120.377 121.968 -1.591 17929 466 1 8 . 1 1 19 19 LEU H H 36 8.113 8.113 7.304 0.809 17929 467 1 8 . 1 1 20 20 HIS N N 37 118.796 118.796 117.204 1.592 17929 468 1 8 . 1 1 20 20 HIS H H 37 9.052 9.052 8.055 0.997 17929 469 1 8 . 1 1 22 22 ILE N N 39 121.245 121.245 117.335 3.910 17929 470 1 8 . 1 1 22 22 ILE H H 39 8.200 8.200 7.777 0.423 17929 471 1 8 . 1 1 23 23 ALA N N 40 121.330 121.330 122.550 -1.220 17929 472 1 8 . 1 1 23 23 ALA H H 40 8.835 8.835 7.358 1.477 17929 473 1 8 . 1 1 24 24 TRP N N 41 119.054 119.054 120.953 -1.899 17929 474 1 8 . 1 1 24 24 TRP H H 41 8.520 8.520 7.960 0.560 17929 475 1 8 . 1 1 25 25 THR N N 42 117.474 117.474 113.567 3.907 17929 476 1 8 . 1 1 25 25 THR H H 42 8.068 8.068 7.658 0.410 17929 477 1 8 . 1 1 26 26 ILE N N 43 120.749 120.749 115.325 5.424 17929 478 1 8 . 1 1 26 26 ILE H H 43 8.020 8.020 7.278 0.742 17929 479 1 8 . 1 1 27 27 GLY N N 44 107.156 107.156 108.723 -1.567 17929 480 1 8 . 1 1 27 27 GLY H H 44 8.067 8.067 7.782 0.285 17929 481 1 8 . 1 1 28 28 HIS N N 45 121.329 121.329 122.835 -1.506 17929 482 1 8 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.190 1.276 17929 483 1 8 . 1 1 28 28 HIS H H 45 7.815 7.815 7.733 0.082 17929 484 1 8 . 1 1 29 29 LEU N N 46 119.724 119.724 118.928 0.796 17929 485 1 8 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.661 -0.403 17929 486 1 8 . 1 1 29 29 LEU H H 46 8.075 8.075 7.797 0.278 17929 487 1 8 . 1 1 30 30 ASN N N 47 117.028 117.028 118.408 -1.380 17929 488 1 8 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.501 -1.590 17929 489 1 8 . 1 1 30 30 ASN H H 47 7.995 7.995 7.857 0.138 17929 490 1 8 . 1 1 31 31 GLN N N 48 118.954 118.954 119.951 -0.997 17929 491 1 8 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.554 -1.569 17929 492 1 8 . 1 1 31 31 GLN H H 48 7.672 7.672 7.590 0.082 17929 493 1 8 . 1 1 32 32 ILE N N 49 119.836 119.836 117.988 1.848 17929 494 1 8 . 1 1 32 32 ILE H H 49 7.679 7.679 7.289 0.390 17929 495 1 8 . 1 1 33 33 LYS N N 50 124.429 124.429 119.190 5.239 17929 496 1 8 . 1 1 33 33 LYS H H 50 8.018 8.018 7.817 0.201 17929 497 1 9 . 1 1 7 7 ASP N N 24 125.566 125.566 121.208 4.358 17929 498 1 9 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.381 -1.051 17929 499 1 9 . 1 1 7 7 ASP H H 24 8.429 8.429 8.452 -0.023 17929 500 1 9 . 1 1 9 9 LEU N N 26 119.147 119.147 120.201 -1.054 17929 501 1 9 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.939 0.549 17929 502 1 9 . 1 1 9 9 LEU H H 26 8.190 8.190 7.787 0.403 17929 503 1 9 . 1 1 10 10 VAL N N 27 121.008 121.008 118.125 2.883 17929 504 1 9 . 1 1 10 10 VAL CA C 27 65.487 65.487 65.863 -0.376 17929 505 1 9 . 1 1 10 10 VAL H H 27 7.255 7.255 7.693 -0.438 17929 506 1 9 . 1 1 11 11 VAL N N 28 123.961 123.961 119.109 4.852 17929 507 1 9 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.446 2.140 17929 508 1 9 . 1 1 11 11 VAL H H 28 8.171 8.171 7.480 0.691 17929 509 1 9 . 1 1 12 12 ALA N N 29 121.779 121.779 122.309 -0.530 17929 510 1 9 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.459 0.437 17929 511 1 9 . 1 1 12 12 ALA H H 29 8.418 8.418 7.732 0.686 17929 512 1 9 . 1 1 13 13 ALA N N 30 118.633 118.633 120.462 -1.829 17929 513 1 9 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.102 0.379 17929 514 1 9 . 1 1 13 13 ALA H H 30 8.636 8.636 7.636 1.000 17929 515 1 9 . 1 1 14 14 SER N N 31 119.981 119.981 115.019 4.962 17929 516 1 9 . 1 1 14 14 SER CA C 31 63.672 63.672 61.369 2.303 17929 517 1 9 . 1 1 14 14 SER H H 31 8.267 8.267 7.530 0.737 17929 518 1 9 . 1 1 15 15 ILE N N 32 122.292 122.292 121.723 0.569 17929 519 1 9 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.441 0.175 17929 520 1 9 . 1 1 15 15 ILE H H 32 7.797 7.797 8.273 -0.476 17929 521 1 9 . 1 1 16 16 ILE N N 33 121.008 121.008 118.983 2.025 17929 522 1 9 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.286 0.252 17929 523 1 9 . 1 1 16 16 ILE H H 33 7.996 7.996 7.640 0.356 17929 524 1 9 . 1 1 17 17 GLY N N 34 123.769 123.769 108.484 15.285 17929 525 1 9 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.496 -0.232 17929 526 1 9 . 1 1 17 17 GLY H H 34 8.061 8.061 8.141 -0.080 17929 527 1 9 . 1 1 19 19 LEU N N 36 120.377 120.377 120.630 -0.253 17929 528 1 9 . 1 1 19 19 LEU H H 36 8.113 8.113 7.506 0.607 17929 529 1 9 . 1 1 20 20 HIS N N 37 118.796 118.796 117.470 1.326 17929 530 1 9 . 1 1 20 20 HIS H H 37 9.052 9.052 8.019 1.033 17929 531 1 9 . 1 1 22 22 ILE N N 39 121.245 121.245 117.849 3.396 17929 532 1 9 . 1 1 22 22 ILE H H 39 8.200 8.200 7.796 0.404 17929 533 1 9 . 1 1 23 23 ALA N N 40 121.330 121.330 121.526 -0.196 17929 534 1 9 . 1 1 23 23 ALA H H 40 8.835 8.835 7.392 1.443 17929 535 1 9 . 1 1 24 24 TRP N N 41 119.054 119.054 121.179 -2.125 17929 536 1 9 . 1 1 24 24 TRP H H 41 8.520 8.520 8.084 0.436 17929 537 1 9 . 1 1 25 25 THR N N 42 117.474 117.474 114.441 3.033 17929 538 1 9 . 1 1 25 25 THR H H 42 8.068 8.068 7.439 0.629 17929 539 1 9 . 1 1 26 26 ILE N N 43 120.749 120.749 117.067 3.682 17929 540 1 9 . 1 1 26 26 ILE H H 43 8.020 8.020 7.451 0.569 17929 541 1 9 . 1 1 27 27 GLY N N 44 107.156 107.156 108.410 -1.254 17929 542 1 9 . 1 1 27 27 GLY H H 44 8.067 8.067 7.740 0.327 17929 543 1 9 . 1 1 28 28 HIS N N 45 121.329 121.329 123.077 -1.748 17929 544 1 9 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.865 0.601 17929 545 1 9 . 1 1 28 28 HIS H H 45 7.815 7.815 8.234 -0.419 17929 546 1 9 . 1 1 29 29 LEU N N 46 119.724 119.724 118.755 0.969 17929 547 1 9 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.710 -0.452 17929 548 1 9 . 1 1 29 29 LEU H H 46 8.075 8.075 7.679 0.396 17929 549 1 9 . 1 1 30 30 ASN N N 47 117.028 117.028 117.998 -0.970 17929 550 1 9 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.860 -0.949 17929 551 1 9 . 1 1 30 30 ASN H H 47 7.995 7.995 8.159 -0.164 17929 552 1 9 . 1 1 31 31 GLN N N 48 118.954 118.954 120.342 -1.388 17929 553 1 9 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.514 -1.529 17929 554 1 9 . 1 1 31 31 GLN H H 48 7.672 7.672 7.639 0.033 17929 555 1 9 . 1 1 32 32 ILE N N 49 119.836 119.836 118.204 1.632 17929 556 1 9 . 1 1 32 32 ILE H H 49 7.679 7.679 7.247 0.432 17929 557 1 9 . 1 1 33 33 LYS N N 50 124.429 124.429 120.167 4.262 17929 558 1 9 . 1 1 33 33 LYS H H 50 8.018 8.018 7.669 0.349 17929 559 1 10 . 1 1 7 7 ASP N N 24 125.566 125.566 122.252 3.314 17929 560 1 10 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.153 -0.823 17929 561 1 10 . 1 1 7 7 ASP H H 24 8.429 8.429 8.259 0.170 17929 562 1 10 . 1 1 9 9 LEU N N 26 119.147 119.147 116.752 2.395 17929 563 1 10 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.570 0.918 17929 564 1 10 . 1 1 9 9 LEU H H 26 8.190 8.190 7.833 0.357 17929 565 1 10 . 1 1 10 10 VAL N N 27 121.008 121.008 118.404 2.604 17929 566 1 10 . 1 1 10 10 VAL CA C 27 65.487 65.487 65.777 -0.290 17929 567 1 10 . 1 1 10 10 VAL H H 27 7.255 7.255 7.668 -0.413 17929 568 1 10 . 1 1 11 11 VAL N N 28 123.961 123.961 119.503 4.458 17929 569 1 10 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.989 2.597 17929 570 1 10 . 1 1 11 11 VAL H H 28 8.171 8.171 7.464 0.707 17929 571 1 10 . 1 1 12 12 ALA N N 29 121.779 121.779 122.836 -1.057 17929 572 1 10 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.260 0.636 17929 573 1 10 . 1 1 12 12 ALA H H 29 8.418 8.418 7.367 1.050 17929 574 1 10 . 1 1 13 13 ALA N N 30 118.633 118.633 120.626 -1.993 17929 575 1 10 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.182 0.299 17929 576 1 10 . 1 1 13 13 ALA H H 30 8.636 8.636 7.647 0.989 17929 577 1 10 . 1 1 14 14 SER N N 31 119.981 119.981 114.871 5.110 17929 578 1 10 . 1 1 14 14 SER CA C 31 63.672 63.672 61.371 2.300 17929 579 1 10 . 1 1 14 14 SER H H 31 8.267 8.267 7.504 0.763 17929 580 1 10 . 1 1 15 15 ILE N N 32 122.292 122.292 121.868 0.424 17929 581 1 10 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.379 0.237 17929 582 1 10 . 1 1 15 15 ILE H H 32 7.797 7.797 8.237 -0.440 17929 583 1 10 . 1 1 16 16 ILE N N 33 121.008 121.008 119.164 1.844 17929 584 1 10 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.498 0.040 17929 585 1 10 . 1 1 16 16 ILE H H 33 7.996 7.996 7.670 0.326 17929 586 1 10 . 1 1 17 17 GLY N N 34 123.769 123.769 108.018 15.751 17929 587 1 10 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.430 -0.166 17929 588 1 10 . 1 1 17 17 GLY H H 34 8.061 8.061 7.847 0.214 17929 589 1 10 . 1 1 19 19 LEU N N 36 120.377 120.377 121.329 -0.952 17929 590 1 10 . 1 1 19 19 LEU H H 36 8.113 8.113 8.037 0.075 17929 591 1 10 . 1 1 20 20 HIS N N 37 118.796 118.796 117.390 1.406 17929 592 1 10 . 1 1 20 20 HIS H H 37 9.052 9.052 7.818 1.234 17929 593 1 10 . 1 1 22 22 ILE N N 39 121.245 121.245 117.710 3.535 17929 594 1 10 . 1 1 22 22 ILE H H 39 8.200 8.200 7.970 0.230 17929 595 1 10 . 1 1 23 23 ALA N N 40 121.330 121.330 121.588 -0.258 17929 596 1 10 . 1 1 23 23 ALA H H 40 8.835 8.835 7.567 1.268 17929 597 1 10 . 1 1 24 24 TRP N N 41 119.054 119.054 121.092 -2.038 17929 598 1 10 . 1 1 24 24 TRP H H 41 8.520 8.520 7.875 0.645 17929 599 1 10 . 1 1 25 25 THR N N 42 117.474 117.474 114.548 2.926 17929 600 1 10 . 1 1 25 25 THR H H 42 8.068 8.068 7.455 0.613 17929 601 1 10 . 1 1 26 26 ILE N N 43 120.749 120.749 116.447 4.302 17929 602 1 10 . 1 1 26 26 ILE H H 43 8.020 8.020 7.458 0.562 17929 603 1 10 . 1 1 27 27 GLY N N 44 107.156 107.156 108.745 -1.589 17929 604 1 10 . 1 1 27 27 GLY H H 44 8.067 8.067 7.738 0.329 17929 605 1 10 . 1 1 28 28 HIS N N 45 121.329 121.329 123.013 -1.684 17929 606 1 10 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.626 0.840 17929 607 1 10 . 1 1 28 28 HIS H H 45 7.815 7.815 7.790 0.025 17929 608 1 10 . 1 1 29 29 LEU N N 46 119.724 119.724 117.861 1.863 17929 609 1 10 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.793 -0.535 17929 610 1 10 . 1 1 29 29 LEU H H 46 8.075 8.075 7.605 0.470 17929 611 1 10 . 1 1 30 30 ASN N N 47 117.028 117.028 117.749 -0.721 17929 612 1 10 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.990 -1.079 17929 613 1 10 . 1 1 30 30 ASN H H 47 7.995 7.995 8.115 -0.120 17929 614 1 10 . 1 1 31 31 GLN N N 48 118.954 118.954 119.962 -1.008 17929 615 1 10 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.429 -1.444 17929 616 1 10 . 1 1 31 31 GLN H H 48 7.672 7.672 7.573 0.099 17929 617 1 10 . 1 1 32 32 ILE N N 49 119.836 119.836 117.678 2.158 17929 618 1 10 . 1 1 32 32 ILE H H 49 7.679 7.679 7.335 0.344 17929 619 1 10 . 1 1 33 33 LYS N N 50 124.429 124.429 119.253 5.176 17929 620 1 10 . 1 1 33 33 LYS H H 50 8.018 8.018 7.472 0.546 17929 621 1 11 . 1 1 7 7 ASP N N 24 125.566 125.566 122.425 3.141 17929 622 1 11 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.126 -0.796 17929 623 1 11 . 1 1 7 7 ASP H H 24 8.429 8.429 8.322 0.107 17929 624 1 11 . 1 1 9 9 LEU N N 26 119.147 119.147 118.818 0.329 17929 625 1 11 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.489 0.999 17929 626 1 11 . 1 1 9 9 LEU H H 26 8.190 8.190 7.861 0.329 17929 627 1 11 . 1 1 10 10 VAL N N 27 121.008 121.008 118.040 2.968 17929 628 1 11 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.461 -0.974 17929 629 1 11 . 1 1 10 10 VAL H H 27 7.255 7.255 7.470 -0.215 17929 630 1 11 . 1 1 11 11 VAL N N 28 123.961 123.961 119.555 4.406 17929 631 1 11 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.065 2.521 17929 632 1 11 . 1 1 11 11 VAL H H 28 8.171 8.171 7.421 0.750 17929 633 1 11 . 1 1 12 12 ALA N N 29 121.779 121.779 122.447 -0.668 17929 634 1 11 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.462 0.434 17929 635 1 11 . 1 1 12 12 ALA H H 29 8.418 8.418 7.659 0.759 17929 636 1 11 . 1 1 13 13 ALA N N 30 118.633 118.633 120.242 -1.609 17929 637 1 11 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.120 0.361 17929 638 1 11 . 1 1 13 13 ALA H H 30 8.636 8.636 7.680 0.956 17929 639 1 11 . 1 1 14 14 SER N N 31 119.981 119.981 114.801 5.180 17929 640 1 11 . 1 1 14 14 SER CA C 31 63.672 63.672 61.469 2.203 17929 641 1 11 . 1 1 14 14 SER H H 31 8.267 8.267 7.495 0.772 17929 642 1 11 . 1 1 15 15 ILE N N 32 122.292 122.292 121.961 0.331 17929 643 1 11 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.351 0.265 17929 644 1 11 . 1 1 15 15 ILE H H 32 7.797 7.797 8.161 -0.364 17929 645 1 11 . 1 1 16 16 ILE N N 33 121.008 121.008 119.135 1.873 17929 646 1 11 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.436 0.102 17929 647 1 11 . 1 1 16 16 ILE H H 33 7.996 7.996 7.723 0.273 17929 648 1 11 . 1 1 17 17 GLY N N 34 123.769 123.769 108.027 15.742 17929 649 1 11 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.444 -0.180 17929 650 1 11 . 1 1 17 17 GLY H H 34 8.061 8.061 8.133 -0.072 17929 651 1 11 . 1 1 19 19 LEU N N 36 120.377 120.377 120.216 0.161 17929 652 1 11 . 1 1 19 19 LEU H H 36 8.113 8.113 7.271 0.842 17929 653 1 11 . 1 1 20 20 HIS N N 37 118.796 118.796 117.439 1.357 17929 654 1 11 . 1 1 20 20 HIS H H 37 9.052 9.052 7.942 1.110 17929 655 1 11 . 1 1 22 22 ILE N N 39 121.245 121.245 117.184 4.061 17929 656 1 11 . 1 1 22 22 ILE H H 39 8.200 8.200 7.975 0.225 17929 657 1 11 . 1 1 23 23 ALA N N 40 121.330 121.330 122.421 -1.091 17929 658 1 11 . 1 1 23 23 ALA H H 40 8.835 8.835 7.426 1.409 17929 659 1 11 . 1 1 24 24 TRP N N 41 119.054 119.054 120.968 -1.914 17929 660 1 11 . 1 1 24 24 TRP H H 41 8.520 8.520 8.221 0.299 17929 661 1 11 . 1 1 25 25 THR N N 42 117.474 117.474 114.838 2.636 17929 662 1 11 . 1 1 25 25 THR H H 42 8.068 8.068 7.510 0.558 17929 663 1 11 . 1 1 26 26 ILE N N 43 120.749 120.749 116.503 4.246 17929 664 1 11 . 1 1 26 26 ILE H H 43 8.020 8.020 7.363 0.657 17929 665 1 11 . 1 1 27 27 GLY N N 44 107.156 107.156 108.742 -1.586 17929 666 1 11 . 1 1 27 27 GLY H H 44 8.067 8.067 7.754 0.313 17929 667 1 11 . 1 1 28 28 HIS N N 45 121.329 121.329 123.102 -1.773 17929 668 1 11 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.372 1.094 17929 669 1 11 . 1 1 28 28 HIS H H 45 7.815 7.815 7.832 -0.017 17929 670 1 11 . 1 1 29 29 LEU N N 46 119.724 119.724 117.973 1.751 17929 671 1 11 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.781 -0.523 17929 672 1 11 . 1 1 29 29 LEU H H 46 8.075 8.075 7.596 0.479 17929 673 1 11 . 1 1 30 30 ASN N N 47 117.028 117.028 117.314 -0.286 17929 674 1 11 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.532 -1.621 17929 675 1 11 . 1 1 30 30 ASN H H 47 7.995 7.995 8.216 -0.221 17929 676 1 11 . 1 1 31 31 GLN N N 48 118.954 118.954 120.129 -1.175 17929 677 1 11 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.460 -1.475 17929 678 1 11 . 1 1 31 31 GLN H H 48 7.672 7.672 7.666 0.006 17929 679 1 11 . 1 1 32 32 ILE N N 49 119.836 119.836 117.675 2.161 17929 680 1 11 . 1 1 32 32 ILE H H 49 7.679 7.679 7.323 0.356 17929 681 1 11 . 1 1 33 33 LYS N N 50 124.429 124.429 119.241 5.188 17929 682 1 11 . 1 1 33 33 LYS H H 50 8.018 8.018 7.562 0.456 17929 683 1 12 . 1 1 7 7 ASP N N 24 125.566 125.566 121.814 3.752 17929 684 1 12 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.078 -0.748 17929 685 1 12 . 1 1 7 7 ASP H H 24 8.429 8.429 8.301 0.128 17929 686 1 12 . 1 1 9 9 LEU N N 26 119.147 119.147 118.323 0.824 17929 687 1 12 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.450 1.038 17929 688 1 12 . 1 1 9 9 LEU H H 26 8.190 8.190 7.799 0.391 17929 689 1 12 . 1 1 10 10 VAL N N 27 121.008 121.008 118.445 2.563 17929 690 1 12 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.736 -1.249 17929 691 1 12 . 1 1 10 10 VAL H H 27 7.255 7.255 7.575 -0.320 17929 692 1 12 . 1 1 11 11 VAL N N 28 123.961 123.961 119.454 4.507 17929 693 1 12 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.054 2.532 17929 694 1 12 . 1 1 11 11 VAL H H 28 8.171 8.171 7.330 0.841 17929 695 1 12 . 1 1 12 12 ALA N N 29 121.779 121.779 122.430 -0.651 17929 696 1 12 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.499 0.397 17929 697 1 12 . 1 1 12 12 ALA H H 29 8.418 8.418 7.655 0.763 17929 698 1 12 . 1 1 13 13 ALA N N 30 118.633 118.633 120.324 -1.691 17929 699 1 12 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.132 0.349 17929 700 1 12 . 1 1 13 13 ALA H H 30 8.636 8.636 7.638 0.998 17929 701 1 12 . 1 1 14 14 SER N N 31 119.981 119.981 114.951 5.030 17929 702 1 12 . 1 1 14 14 SER CA C 31 63.672 63.672 61.678 1.994 17929 703 1 12 . 1 1 14 14 SER H H 31 8.267 8.267 7.474 0.793 17929 704 1 12 . 1 1 15 15 ILE N N 32 122.292 122.292 122.138 0.154 17929 705 1 12 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.319 0.297 17929 706 1 12 . 1 1 15 15 ILE H H 32 7.797 7.797 8.323 -0.526 17929 707 1 12 . 1 1 16 16 ILE N N 33 121.008 121.008 118.995 2.013 17929 708 1 12 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.400 0.138 17929 709 1 12 . 1 1 16 16 ILE H H 33 7.996 7.996 7.680 0.316 17929 710 1 12 . 1 1 17 17 GLY N N 34 123.769 123.769 108.197 15.572 17929 711 1 12 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.448 -0.184 17929 712 1 12 . 1 1 17 17 GLY H H 34 8.061 8.061 7.917 0.144 17929 713 1 12 . 1 1 19 19 LEU N N 36 120.377 120.377 120.799 -0.422 17929 714 1 12 . 1 1 19 19 LEU H H 36 8.113 8.113 7.662 0.451 17929 715 1 12 . 1 1 20 20 HIS N N 37 118.796 118.796 117.443 1.353 17929 716 1 12 . 1 1 20 20 HIS H H 37 9.052 9.052 7.957 1.095 17929 717 1 12 . 1 1 22 22 ILE N N 39 121.245 121.245 118.026 3.219 17929 718 1 12 . 1 1 22 22 ILE H H 39 8.200 8.200 7.803 0.397 17929 719 1 12 . 1 1 23 23 ALA N N 40 121.330 121.330 121.390 -0.060 17929 720 1 12 . 1 1 23 23 ALA H H 40 8.835 8.835 7.412 1.423 17929 721 1 12 . 1 1 24 24 TRP N N 41 119.054 119.054 121.124 -2.070 17929 722 1 12 . 1 1 24 24 TRP H H 41 8.520 8.520 7.891 0.629 17929 723 1 12 . 1 1 25 25 THR N N 42 117.474 117.474 113.517 3.957 17929 724 1 12 . 1 1 25 25 THR H H 42 8.068 8.068 7.548 0.520 17929 725 1 12 . 1 1 26 26 ILE N N 43 120.749 120.749 115.547 5.202 17929 726 1 12 . 1 1 26 26 ILE H H 43 8.020 8.020 7.275 0.745 17929 727 1 12 . 1 1 27 27 GLY N N 44 107.156 107.156 108.421 -1.265 17929 728 1 12 . 1 1 27 27 GLY H H 44 8.067 8.067 7.788 0.279 17929 729 1 12 . 1 1 28 28 HIS N N 45 121.329 121.329 123.061 -1.732 17929 730 1 12 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.662 0.804 17929 731 1 12 . 1 1 28 28 HIS H H 45 7.815 7.815 7.793 0.022 17929 732 1 12 . 1 1 29 29 LEU N N 46 119.724 119.724 117.937 1.787 17929 733 1 12 . 1 1 29 29 LEU CA C 46 57.258 57.258 58.069 -0.811 17929 734 1 12 . 1 1 29 29 LEU H H 46 8.075 8.075 7.693 0.382 17929 735 1 12 . 1 1 30 30 ASN N N 47 117.028 117.028 117.961 -0.933 17929 736 1 12 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.806 -0.895 17929 737 1 12 . 1 1 30 30 ASN H H 47 7.995 7.995 8.055 -0.060 17929 738 1 12 . 1 1 31 31 GLN N N 48 118.954 118.954 120.019 -1.065 17929 739 1 12 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.407 -1.423 17929 740 1 12 . 1 1 31 31 GLN H H 48 7.672 7.672 7.574 0.098 17929 741 1 12 . 1 1 32 32 ILE N N 49 119.836 119.836 118.036 1.800 17929 742 1 12 . 1 1 32 32 ILE H H 49 7.679 7.679 7.205 0.474 17929 743 1 12 . 1 1 33 33 LYS N N 50 124.429 124.429 119.852 4.577 17929 744 1 12 . 1 1 33 33 LYS H H 50 8.018 8.018 7.857 0.161 17929 745 1 13 . 1 1 7 7 ASP N N 24 125.566 125.566 122.051 3.515 17929 746 1 13 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.373 -1.043 17929 747 1 13 . 1 1 7 7 ASP H H 24 8.429 8.429 8.303 0.126 17929 748 1 13 . 1 1 9 9 LEU N N 26 119.147 119.147 117.486 1.661 17929 749 1 13 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.414 1.074 17929 750 1 13 . 1 1 9 9 LEU H H 26 8.190 8.190 7.740 0.450 17929 751 1 13 . 1 1 10 10 VAL N N 27 121.008 121.008 119.109 1.899 17929 752 1 13 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.880 -1.393 17929 753 1 13 . 1 1 10 10 VAL H H 27 7.255 7.255 8.092 -0.837 17929 754 1 13 . 1 1 11 11 VAL N N 28 123.961 123.961 119.178 4.783 17929 755 1 13 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.926 2.660 17929 756 1 13 . 1 1 11 11 VAL H H 28 8.171 8.171 7.401 0.770 17929 757 1 13 . 1 1 12 12 ALA N N 29 121.779 121.779 122.370 -0.591 17929 758 1 13 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.483 0.413 17929 759 1 13 . 1 1 12 12 ALA H H 29 8.418 8.418 7.633 0.785 17929 760 1 13 . 1 1 13 13 ALA N N 30 118.633 118.633 120.424 -1.791 17929 761 1 13 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.157 0.324 17929 762 1 13 . 1 1 13 13 ALA H H 30 8.636 8.636 7.616 1.020 17929 763 1 13 . 1 1 14 14 SER N N 31 119.981 119.981 115.008 4.973 17929 764 1 13 . 1 1 14 14 SER CA C 31 63.672 63.672 61.506 2.166 17929 765 1 13 . 1 1 14 14 SER H H 31 8.267 8.267 7.486 0.781 17929 766 1 13 . 1 1 15 15 ILE N N 32 122.292 122.292 121.718 0.574 17929 767 1 13 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.268 0.348 17929 768 1 13 . 1 1 15 15 ILE H H 32 7.797 7.797 8.268 -0.471 17929 769 1 13 . 1 1 16 16 ILE N N 33 121.008 121.008 118.740 2.268 17929 770 1 13 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.180 0.358 17929 771 1 13 . 1 1 16 16 ILE H H 33 7.996 7.996 7.593 0.403 17929 772 1 13 . 1 1 17 17 GLY N N 34 123.769 123.769 108.344 15.425 17929 773 1 13 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.342 -0.078 17929 774 1 13 . 1 1 17 17 GLY H H 34 8.061 8.061 7.843 0.218 17929 775 1 13 . 1 1 19 19 LEU N N 36 120.377 120.377 120.795 -0.418 17929 776 1 13 . 1 1 19 19 LEU H H 36 8.113 8.113 7.461 0.652 17929 777 1 13 . 1 1 20 20 HIS N N 37 118.796 118.796 117.006 1.790 17929 778 1 13 . 1 1 20 20 HIS H H 37 9.052 9.052 7.892 1.160 17929 779 1 13 . 1 1 22 22 ILE N N 39 121.245 121.245 117.600 3.645 17929 780 1 13 . 1 1 22 22 ILE H H 39 8.200 8.200 7.955 0.245 17929 781 1 13 . 1 1 23 23 ALA N N 40 121.330 121.330 121.511 -0.181 17929 782 1 13 . 1 1 23 23 ALA H H 40 8.835 8.835 7.550 1.285 17929 783 1 13 . 1 1 24 24 TRP N N 41 119.054 119.054 120.997 -1.943 17929 784 1 13 . 1 1 24 24 TRP H H 41 8.520 8.520 7.755 0.765 17929 785 1 13 . 1 1 25 25 THR N N 42 117.474 117.474 114.549 2.925 17929 786 1 13 . 1 1 25 25 THR H H 42 8.068 8.068 7.506 0.562 17929 787 1 13 . 1 1 26 26 ILE N N 43 120.749 120.749 116.540 4.209 17929 788 1 13 . 1 1 26 26 ILE H H 43 8.020 8.020 7.378 0.642 17929 789 1 13 . 1 1 27 27 GLY N N 44 107.156 107.156 108.365 -1.209 17929 790 1 13 . 1 1 27 27 GLY H H 44 8.067 8.067 7.751 0.316 17929 791 1 13 . 1 1 28 28 HIS N N 45 121.329 121.329 123.132 -1.803 17929 792 1 13 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.974 0.492 17929 793 1 13 . 1 1 28 28 HIS H H 45 7.815 7.815 7.792 0.023 17929 794 1 13 . 1 1 29 29 LEU N N 46 119.724 119.724 117.680 2.044 17929 795 1 13 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.858 -0.600 17929 796 1 13 . 1 1 29 29 LEU H H 46 8.075 8.075 7.600 0.475 17929 797 1 13 . 1 1 30 30 ASN N N 47 117.028 117.028 117.716 -0.688 17929 798 1 13 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.841 -0.930 17929 799 1 13 . 1 1 30 30 ASN H H 47 7.995 7.995 8.200 -0.205 17929 800 1 13 . 1 1 31 31 GLN N N 48 118.954 118.954 119.934 -0.980 17929 801 1 13 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.308 -1.323 17929 802 1 13 . 1 1 31 31 GLN H H 48 7.672 7.672 7.488 0.184 17929 803 1 13 . 1 1 32 32 ILE N N 49 119.836 119.836 118.229 1.607 17929 804 1 13 . 1 1 32 32 ILE H H 49 7.679 7.679 7.334 0.345 17929 805 1 13 . 1 1 33 33 LYS N N 50 124.429 124.429 119.417 5.012 17929 806 1 13 . 1 1 33 33 LYS H H 50 8.018 8.018 7.562 0.456 17929 807 1 14 . 1 1 7 7 ASP N N 24 125.566 125.566 122.072 3.494 17929 808 1 14 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.293 -0.963 17929 809 1 14 . 1 1 7 7 ASP H H 24 8.429 8.429 8.368 0.061 17929 810 1 14 . 1 1 9 9 LEU N N 26 119.147 119.147 118.961 0.186 17929 811 1 14 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.809 0.678 17929 812 1 14 . 1 1 9 9 LEU H H 26 8.190 8.190 7.893 0.297 17929 813 1 14 . 1 1 10 10 VAL N N 27 121.008 121.008 117.890 3.118 17929 814 1 14 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.355 -0.868 17929 815 1 14 . 1 1 10 10 VAL H H 27 7.255 7.255 7.642 -0.387 17929 816 1 14 . 1 1 11 11 VAL N N 28 123.961 123.961 119.395 4.566 17929 817 1 14 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.119 2.467 17929 818 1 14 . 1 1 11 11 VAL H H 28 8.171 8.171 7.678 0.493 17929 819 1 14 . 1 1 12 12 ALA N N 29 121.779 121.779 122.577 -0.798 17929 820 1 14 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.492 0.404 17929 821 1 14 . 1 1 12 12 ALA H H 29 8.418 8.418 7.894 0.524 17929 822 1 14 . 1 1 13 13 ALA N N 30 118.633 118.633 120.582 -1.949 17929 823 1 14 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.150 0.331 17929 824 1 14 . 1 1 13 13 ALA H H 30 8.636 8.636 7.630 1.006 17929 825 1 14 . 1 1 14 14 SER N N 31 119.981 119.981 115.019 4.962 17929 826 1 14 . 1 1 14 14 SER CA C 31 63.672 63.672 61.557 2.115 17929 827 1 14 . 1 1 14 14 SER H H 31 8.267 8.267 7.497 0.770 17929 828 1 14 . 1 1 15 15 ILE N N 32 122.292 122.292 121.494 0.798 17929 829 1 14 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.233 0.383 17929 830 1 14 . 1 1 15 15 ILE H H 32 7.797 7.797 8.143 -0.346 17929 831 1 14 . 1 1 16 16 ILE N N 33 121.008 121.008 118.890 2.118 17929 832 1 14 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.225 0.312 17929 833 1 14 . 1 1 16 16 ILE H H 33 7.996 7.996 7.566 0.430 17929 834 1 14 . 1 1 17 17 GLY N N 34 123.769 123.769 108.236 15.533 17929 835 1 14 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.424 -0.160 17929 836 1 14 . 1 1 17 17 GLY H H 34 8.061 8.061 8.208 -0.147 17929 837 1 14 . 1 1 19 19 LEU N N 36 120.377 120.377 121.233 -0.856 17929 838 1 14 . 1 1 19 19 LEU H H 36 8.113 8.113 7.148 0.965 17929 839 1 14 . 1 1 20 20 HIS N N 37 118.796 118.796 117.121 1.675 17929 840 1 14 . 1 1 20 20 HIS H H 37 9.052 9.052 7.845 1.207 17929 841 1 14 . 1 1 22 22 ILE N N 39 121.245 121.245 117.480 3.765 17929 842 1 14 . 1 1 22 22 ILE H H 39 8.200 8.200 7.948 0.252 17929 843 1 14 . 1 1 23 23 ALA N N 40 121.330 121.330 122.324 -0.994 17929 844 1 14 . 1 1 23 23 ALA H H 40 8.835 8.835 7.556 1.279 17929 845 1 14 . 1 1 24 24 TRP N N 41 119.054 119.054 120.962 -1.908 17929 846 1 14 . 1 1 24 24 TRP H H 41 8.520 8.520 7.843 0.676 17929 847 1 14 . 1 1 25 25 THR N N 42 117.474 117.474 114.205 3.269 17929 848 1 14 . 1 1 25 25 THR H H 42 8.068 8.068 7.623 0.445 17929 849 1 14 . 1 1 26 26 ILE N N 43 120.749 120.749 116.761 3.988 17929 850 1 14 . 1 1 26 26 ILE H H 43 8.020 8.020 7.354 0.666 17929 851 1 14 . 1 1 27 27 GLY N N 44 107.156 107.156 108.942 -1.786 17929 852 1 14 . 1 1 27 27 GLY H H 44 8.067 8.067 7.688 0.379 17929 853 1 14 . 1 1 28 28 HIS N N 45 121.329 121.329 122.958 -1.629 17929 854 1 14 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.566 0.900 17929 855 1 14 . 1 1 28 28 HIS H H 45 7.815 7.815 7.882 -0.067 17929 856 1 14 . 1 1 29 29 LEU N N 46 119.724 119.724 118.225 1.499 17929 857 1 14 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.909 -0.651 17929 858 1 14 . 1 1 29 29 LEU H H 46 8.075 8.075 7.670 0.405 17929 859 1 14 . 1 1 30 30 ASN N N 47 117.028 117.028 117.809 -0.781 17929 860 1 14 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.082 -1.171 17929 861 1 14 . 1 1 30 30 ASN H H 47 7.995 7.995 8.166 -0.171 17929 862 1 14 . 1 1 31 31 GLN N N 48 118.954 118.954 120.004 -1.050 17929 863 1 14 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.371 -1.386 17929 864 1 14 . 1 1 31 31 GLN H H 48 7.672 7.672 7.544 0.128 17929 865 1 14 . 1 1 32 32 ILE N N 49 119.836 119.836 117.882 1.954 17929 866 1 14 . 1 1 32 32 ILE H H 49 7.679 7.679 7.352 0.327 17929 867 1 14 . 1 1 33 33 LYS N N 50 124.429 124.429 119.181 5.248 17929 868 1 14 . 1 1 33 33 LYS H H 50 8.018 8.018 7.949 0.069 17929 869 1 15 . 1 1 7 7 ASP N N 24 125.566 125.566 121.231 4.335 17929 870 1 15 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.493 -1.163 17929 871 1 15 . 1 1 7 7 ASP H H 24 8.429 8.429 8.387 0.042 17929 872 1 15 . 1 1 9 9 LEU N N 26 119.147 119.147 119.331 -0.184 17929 873 1 15 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.724 0.764 17929 874 1 15 . 1 1 9 9 LEU H H 26 8.190 8.190 8.089 0.101 17929 875 1 15 . 1 1 10 10 VAL N N 27 121.008 121.008 117.885 3.123 17929 876 1 15 . 1 1 10 10 VAL CA C 27 65.487 65.487 65.689 -0.202 17929 877 1 15 . 1 1 10 10 VAL H H 27 7.255 7.255 7.415 -0.160 17929 878 1 15 . 1 1 11 11 VAL N N 28 123.961 123.961 119.664 4.297 17929 879 1 15 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.313 2.273 17929 880 1 15 . 1 1 11 11 VAL H H 28 8.171 8.171 7.326 0.845 17929 881 1 15 . 1 1 12 12 ALA N N 29 121.779 121.779 120.832 0.947 17929 882 1 15 . 1 1 12 12 ALA CA C 29 55.896 55.896 54.670 1.226 17929 883 1 15 . 1 1 12 12 ALA H H 29 8.418 8.418 7.902 0.516 17929 884 1 15 . 1 1 13 13 ALA N N 30 118.633 118.633 120.433 -1.800 17929 885 1 15 . 1 1 13 13 ALA CA C 30 55.481 55.481 54.761 0.720 17929 886 1 15 . 1 1 13 13 ALA H H 30 8.636 8.636 7.846 0.790 17929 887 1 15 . 1 1 14 14 SER N N 31 119.981 119.981 114.352 5.629 17929 888 1 15 . 1 1 14 14 SER CA C 31 63.672 63.672 60.784 2.888 17929 889 1 15 . 1 1 14 14 SER H H 31 8.267 8.267 7.553 0.714 17929 890 1 15 . 1 1 15 15 ILE N N 32 122.292 122.292 121.679 0.613 17929 891 1 15 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.321 0.295 17929 892 1 15 . 1 1 15 15 ILE H H 32 7.797 7.797 7.343 0.454 17929 893 1 15 . 1 1 16 16 ILE N N 33 121.008 121.008 118.750 2.258 17929 894 1 15 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.008 0.530 17929 895 1 15 . 1 1 16 16 ILE H H 33 7.996 7.996 7.474 0.522 17929 896 1 15 . 1 1 17 17 GLY N N 34 123.769 123.769 108.239 15.530 17929 897 1 15 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.294 -0.030 17929 898 1 15 . 1 1 17 17 GLY H H 34 8.061 8.061 7.485 0.576 17929 899 1 15 . 1 1 19 19 LEU N N 36 120.377 120.377 120.886 -0.509 17929 900 1 15 . 1 1 19 19 LEU H H 36 8.113 8.113 7.811 0.302 17929 901 1 15 . 1 1 20 20 HIS N N 37 118.796 118.796 117.145 1.651 17929 902 1 15 . 1 1 20 20 HIS H H 37 9.052 9.052 8.001 1.051 17929 903 1 15 . 1 1 22 22 ILE N N 39 121.245 121.245 117.811 3.434 17929 904 1 15 . 1 1 22 22 ILE H H 39 8.200 8.200 7.805 0.395 17929 905 1 15 . 1 1 23 23 ALA N N 40 121.330 121.330 121.550 -0.220 17929 906 1 15 . 1 1 23 23 ALA H H 40 8.835 8.835 7.424 1.411 17929 907 1 15 . 1 1 24 24 TRP N N 41 119.054 119.054 121.108 -2.054 17929 908 1 15 . 1 1 24 24 TRP H H 41 8.520 8.520 7.849 0.671 17929 909 1 15 . 1 1 25 25 THR N N 42 117.474 117.474 113.626 3.848 17929 910 1 15 . 1 1 25 25 THR H H 42 8.068 8.068 7.564 0.504 17929 911 1 15 . 1 1 26 26 ILE N N 43 120.749 120.749 115.891 4.858 17929 912 1 15 . 1 1 26 26 ILE H H 43 8.020 8.020 7.257 0.763 17929 913 1 15 . 1 1 27 27 GLY N N 44 107.156 107.156 108.327 -1.171 17929 914 1 15 . 1 1 27 27 GLY H H 44 8.067 8.067 7.767 0.300 17929 915 1 15 . 1 1 28 28 HIS N N 45 121.329 121.329 123.077 -1.748 17929 916 1 15 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.365 1.101 17929 917 1 15 . 1 1 28 28 HIS H H 45 7.815 7.815 7.927 -0.112 17929 918 1 15 . 1 1 29 29 LEU N N 46 119.724 119.724 118.755 0.969 17929 919 1 15 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.760 -0.502 17929 920 1 15 . 1 1 29 29 LEU H H 46 8.075 8.075 7.649 0.426 17929 921 1 15 . 1 1 30 30 ASN N N 47 117.028 117.028 118.060 -1.032 17929 922 1 15 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.829 -0.918 17929 923 1 15 . 1 1 30 30 ASN H H 47 7.995 7.995 8.130 -0.135 17929 924 1 15 . 1 1 31 31 GLN N N 48 118.954 118.954 120.263 -1.309 17929 925 1 15 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.522 -1.537 17929 926 1 15 . 1 1 31 31 GLN H H 48 7.672 7.672 7.583 0.089 17929 927 1 15 . 1 1 32 32 ILE N N 49 119.836 119.836 118.699 1.137 17929 928 1 15 . 1 1 32 32 ILE H H 49 7.679 7.679 7.284 0.395 17929 929 1 15 . 1 1 33 33 LYS N N 50 124.429 124.429 118.851 5.578 17929 930 1 15 . 1 1 33 33 LYS H H 50 8.018 8.018 7.936 0.082 17929 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 24 4.033 -1.898 3.635 17929 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 17929 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17929 4 1 1 "Average Difference" CA 14 1.196 -0.197 1.224 17929 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17929 6 1 1 "Average Difference" HN 24 0.565 -0.394 0.413 17929 7 1 2 "Average Difference" N 24 4.110 -1.932 3.705 17929 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 17929 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17929 10 1 2 "Average Difference" CA 14 1.107 -0.055 1.148 17929 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17929 12 1 2 "Average Difference" HN 24 0.592 -0.323 0.507 17929 13 1 3 "Average Difference" N 24 4.113 -1.745 3.805 17929 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 17929 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17929 16 1 3 "Average Difference" CA 14 1.159 -0.205 1.184 17929 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17929 18 1 3 "Average Difference" HN 24 0.582 -0.384 0.447 17929 19 1 4 "Average Difference" N 24 4.056 -1.856 3.684 17929 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 17929 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17929 22 1 4 "Average Difference" CA 14 1.235 -0.202 1.265 17929 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17929 24 1 4 "Average Difference" HN 24 0.580 -0.363 0.462 17929 25 1 5 "Average Difference" N 24 3.984 -1.798 3.632 17929 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 17929 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17929 28 1 5 "Average Difference" CA 14 1.210 -0.376 1.194 17929 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17929 30 1 5 "Average Difference" HN 24 0.536 -0.386 0.380 17929 31 1 6 "Average Difference" N 24 4.032 -2.025 3.561 17929 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 17929 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17929 34 1 6 "Average Difference" CA 14 1.290 -0.325 1.295 17929 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17929 36 1 6 "Average Difference" HN 24 0.575 -0.422 0.399 17929 37 1 7 "Average Difference" N 24 3.999 -1.613 3.738 17929 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 17929 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17929 40 1 7 "Average Difference" CA 14 1.169 -0.566 1.062 17929 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17929 42 1 7 "Average Difference" HN 24 0.558 -0.372 0.424 17929 43 1 8 "Average Difference" N 24 4.170 -2.005 3.735 17929 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 17929 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17929 46 1 8 "Average Difference" CA 14 1.356 -0.422 1.337 17929 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17929 48 1 8 "Average Difference" HN 24 0.563 -0.396 0.408 17929 49 1 9 "Average Difference" N 24 4.022 -1.745 3.701 17929 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 17929 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17929 52 1 9 "Average Difference" CA 14 1.060 -0.161 1.087 17929 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17929 54 1 9 "Average Difference" HN 24 0.598 -0.372 0.478 17929 55 1 10 "Average Difference" N 24 4.157 -1.915 3.769 17929 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 17929 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17929 58 1 10 "Average Difference" CA 14 1.148 -0.252 1.163 17929 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17929 60 1 10 "Average Difference" HN 24 0.609 -0.418 0.452 17929 61 1 11 "Average Difference" N 24 4.130 -1.893 3.750 17929 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 17929 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17929 64 1 11 "Average Difference" CA 14 1.210 -0.172 1.243 17929 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17929 66 1 11 "Average Difference" HN 24 0.597 -0.407 0.446 17929 67 1 12 "Average Difference" N 24 4.134 -1.934 3.732 17929 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 17929 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17929 70 1 12 "Average Difference" CA 14 1.138 -0.160 1.169 17929 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17929 72 1 12 "Average Difference" HN 24 0.608 -0.423 0.447 17929 73 1 13 "Average Difference" N 24 4.073 -1.947 3.654 17929 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 17929 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17929 76 1 13 "Average Difference" CA 14 1.186 -0.176 1.217 17929 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17929 78 1 13 "Average Difference" HN 24 0.637 -0.423 0.486 17929 79 1 14 "Average Difference" N 24 4.125 -1.851 3.766 17929 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 17929 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17929 82 1 14 "Average Difference" CA 14 1.127 -0.171 1.156 17929 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17929 84 1 14 "Average Difference" HN 24 0.590 -0.386 0.456 17929 85 1 15 "Average Difference" N 24 4.221 -2.008 3.792 17929 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 17929 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17929 88 1 15 "Average Difference" CA 14 1.269 -0.389 1.254 17929 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17929 90 1 15 "Average Difference" HN 24 0.580 -0.439 0.386 17929 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 17929 _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 7 7 ASP N N 24 125.566 125.566 122.071 3.495 17929 2 1 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.261 -0.931 17929 3 1 . 1 1 7 7 ASP H H 24 8.429 8.429 8.365 0.064 17929 4 1 . 1 1 9 9 LEU N N 26 119.147 119.147 118.592 0.555 17929 5 1 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.632 0.856 17929 6 1 . 1 1 9 9 LEU H H 26 8.190 8.190 7.887 0.303 17929 7 1 . 1 1 10 10 VAL N N 27 121.008 121.008 118.278 2.730 17929 8 1 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.182 -0.695 17929 9 1 . 1 1 10 10 VAL H H 27 7.255 7.255 7.602 -0.347 17929 10 1 . 1 1 11 11 VAL N N 28 123.961 123.961 119.308 4.653 17929 11 1 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.988 2.598 17929 12 1 . 1 1 11 11 VAL H H 28 8.171 8.171 7.569 0.602 17929 13 1 . 1 1 12 12 ALA N N 29 121.779 121.779 121.928 -0.149 17929 14 1 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.259 0.637 17929 15 1 . 1 1 12 12 ALA H H 29 8.418 8.418 7.918 0.500 17929 16 1 . 1 1 13 13 ALA N N 30 118.633 118.633 120.435 -1.802 17929 17 1 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.036 0.445 17929 18 1 . 1 1 13 13 ALA H H 30 8.636 8.636 7.627 1.009 17929 19 1 . 1 1 14 14 SER N N 31 119.981 119.981 114.871 5.110 17929 20 1 . 1 1 14 14 SER CA C 31 63.672 63.672 61.437 2.235 17929 21 1 . 1 1 14 14 SER H H 31 8.267 8.267 7.570 0.697 17929 22 1 . 1 1 15 15 ILE N N 32 122.292 122.292 121.440 0.852 17929 23 1 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.276 0.340 17929 24 1 . 1 1 15 15 ILE H H 32 7.797 7.797 7.955 -0.158 17929 25 1 . 1 1 16 16 ILE N N 33 121.008 121.008 118.924 2.084 17929 26 1 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.084 0.454 17929 27 1 . 1 1 16 16 ILE H H 33 7.996 7.996 7.586 0.410 17929 28 1 . 1 1 17 17 GLY N N 34 123.769 123.769 108.430 15.339 17929 29 1 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.394 -0.130 17929 30 1 . 1 1 17 17 GLY H H 34 8.061 8.061 7.906 0.155 17929 31 1 . 1 1 19 19 LEU N N 36 120.377 120.377 120.956 -0.579 17929 32 1 . 1 1 19 19 LEU H H 36 8.113 8.113 7.509 0.604 17929 33 1 . 1 1 20 20 HIS N N 37 118.796 118.796 117.323 1.473 17929 34 1 . 1 1 20 20 HIS H H 37 9.052 9.052 8.023 1.029 17929 35 1 . 1 1 22 22 ILE N N 39 121.245 121.245 117.701 3.544 17929 36 1 . 1 1 22 22 ILE H H 39 8.200 8.200 7.879 0.321 17929 37 1 . 1 1 23 23 ALA N N 40 121.330 121.330 121.789 -0.459 17929 38 1 . 1 1 23 23 ALA H H 40 8.835 8.835 7.508 1.327 17929 39 1 . 1 1 24 24 TRP N N 41 119.054 119.054 121.030 -1.976 17929 40 1 . 1 1 24 24 TRP H H 41 8.520 8.520 7.948 0.572 17929 41 1 . 1 1 25 25 THR N N 42 117.474 117.474 114.250 3.224 17929 42 1 . 1 1 25 25 THR H H 42 8.068 8.068 7.515 0.553 17929 43 1 . 1 1 26 26 ILE N N 43 120.749 120.749 116.422 4.327 17929 44 1 . 1 1 26 26 ILE H H 43 8.020 8.020 7.380 0.640 17929 45 1 . 1 1 27 27 GLY N N 44 107.156 107.156 108.566 -1.410 17929 46 1 . 1 1 27 27 GLY H H 44 8.067 8.067 7.716 0.351 17929 47 1 . 1 1 28 28 HIS N N 45 121.329 121.329 123.021 -1.692 17929 48 1 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.684 0.783 17929 49 1 . 1 1 28 28 HIS H H 45 7.815 7.815 7.928 -0.113 17929 50 1 . 1 1 29 29 LEU N N 46 119.724 119.724 118.346 1.378 17929 51 1 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.784 -0.526 17929 52 1 . 1 1 29 29 LEU H H 46 8.075 8.075 7.648 0.427 17929 53 1 . 1 1 30 30 ASN N N 47 117.028 117.028 117.869 -0.841 17929 54 1 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.041 -1.130 17929 55 1 . 1 1 30 30 ASN H H 47 7.995 7.995 8.093 -0.098 17929 56 1 . 1 1 31 31 GLN N N 48 118.954 118.954 120.069 -1.115 17929 57 1 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.347 -1.362 17929 58 1 . 1 1 31 31 GLN H H 48 7.672 7.672 7.586 0.086 17929 59 1 . 1 1 32 32 ILE N N 49 119.836 119.836 118.455 1.381 17929 60 1 . 1 1 32 32 ILE H H 49 7.679 7.679 7.392 0.287 17929 61 1 . 1 1 33 33 LYS N N 50 124.429 124.429 119.485 4.944 17929 62 1 . 1 1 33 33 LYS H H 50 8.018 8.018 7.787 0.231 17929 stop_ save_