data_18358 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18358 _Entry.PDB_ID 2LRE 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 18358 _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 8 8 LEU N N 8 117.542 117.542 116.556 0.986 18358 2 1 1 . 1 1 8 8 LEU HA H 8 4.121 4.121 3.893 0.228 18358 3 1 1 . 1 1 8 8 LEU H H 8 7.735 7.735 8.594 -0.859 18358 4 1 1 . 1 1 9 9 LYS N N 9 123.335 123.335 118.921 4.414 18358 5 1 1 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.350 -0.272 18358 6 1 1 . 1 1 9 9 LYS H H 9 7.831 7.831 8.380 -0.549 18358 7 1 1 . 1 1 10 10 LYS N N 10 121.522 121.522 118.619 2.903 18358 8 1 1 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.245 -0.588 18358 9 1 1 . 1 1 10 10 LYS H H 10 8.627 8.627 8.179 0.448 18358 10 1 1 . 1 1 11 11 VAL N N 11 117.576 117.576 119.777 -2.201 18358 11 1 1 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.955 -0.222 18358 12 1 1 . 1 1 11 11 VAL H H 11 7.491 7.491 7.418 0.073 18358 13 1 1 . 1 1 12 12 ALA N N 12 123.018 123.018 122.378 0.640 18358 14 1 1 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.340 -0.209 18358 15 1 1 . 1 1 12 12 ALA H H 12 7.898 7.898 7.558 0.340 18358 16 1 1 . 1 1 13 13 CYS N N 13 113.951 113.951 114.898 -0.947 18358 17 1 1 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.531 0.056 18358 18 1 1 . 1 1 13 13 CYS H H 13 8.394 8.394 7.466 0.928 18358 19 1 1 . 1 1 14 14 ALA N N 14 124.346 124.346 122.056 2.290 18358 20 1 1 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.213 -0.186 18358 21 1 1 . 1 1 14 14 ALA H H 14 7.549 7.549 7.926 -0.377 18358 22 1 1 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.407 -0.204 18358 23 1 1 . 1 1 16 16 ALA N N 16 124.554 124.554 122.346 2.208 18358 24 1 1 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.199 -0.124 18358 25 1 1 . 1 1 16 16 ALA H H 16 8.570 8.570 7.657 0.913 18358 26 1 1 . 1 1 17 17 ILE N N 17 119.462 119.462 119.848 -0.386 18358 27 1 1 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.588 -0.172 18358 28 1 1 . 1 1 17 17 ILE H H 17 8.475 8.475 7.568 0.907 18358 29 1 1 . 1 1 18 18 ALA N N 18 121.295 121.295 121.660 -0.365 18358 30 1 1 . 1 1 18 18 ALA HA H 18 4.069 4.069 3.956 0.113 18358 31 1 1 . 1 1 18 18 ALA H H 18 8.288 8.288 7.737 0.551 18358 32 1 1 . 1 1 19 19 GLY N N 19 105.669 105.669 105.420 0.249 18358 33 1 1 . 1 1 19 19 GLY H H 19 8.399 8.399 7.612 0.787 18358 34 1 1 . 1 1 20 20 ALA N N 20 127.175 127.175 123.099 4.076 18358 35 1 1 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.345 -0.264 18358 36 1 1 . 1 1 20 20 ALA H H 20 7.972 7.972 7.686 0.286 18358 37 1 1 . 1 1 21 21 VAL N N 21 118.978 118.978 119.855 -0.877 18358 38 1 1 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.759 -0.394 18358 39 1 1 . 1 1 21 21 VAL H H 21 8.435 8.435 8.381 0.054 18358 40 1 1 . 1 1 22 22 ALA N N 22 121.005 121.005 120.407 0.598 18358 41 1 1 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.166 -0.092 18358 42 1 1 . 1 1 22 22 ALA H H 22 7.835 7.835 7.669 0.166 18358 43 1 1 . 1 1 23 23 ALA N N 23 121.200 121.200 119.638 1.562 18358 44 1 1 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.342 -0.279 18358 45 1 1 . 1 1 23 23 ALA H H 23 8.062 8.062 7.476 0.586 18358 46 1 1 . 1 1 24 24 CYS N N 24 114.529 114.529 118.875 -4.346 18358 47 1 1 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.674 -0.186 18358 48 1 1 . 1 1 24 24 CYS H H 24 8.045 8.045 7.526 0.519 18358 49 1 1 . 1 1 25 25 GLY N N 25 109.695 109.695 112.321 -2.626 18358 50 1 1 . 1 1 25 25 GLY H H 25 7.916 7.916 8.733 -0.817 18358 51 1 1 . 1 1 26 26 GLY N N 26 107.481 107.481 108.812 -1.331 18358 52 1 1 . 1 1 26 26 GLY H H 26 8.056 8.056 7.940 0.116 18358 53 1 1 . 1 1 27 27 ILE N N 27 117.952 117.952 118.436 -0.484 18358 54 1 1 . 1 1 27 27 ILE HA H 27 3.745 3.745 3.827 -0.082 18358 55 1 1 . 1 1 27 27 ILE H H 27 8.342 8.342 8.365 -0.023 18358 56 1 1 . 1 1 28 28 ASP N N 28 128.285 128.285 121.704 6.581 18358 57 1 1 . 1 1 28 28 ASP H H 28 7.060 7.060 8.175 -1.115 18358 58 1 1 . 1 1 29 29 LEU N N 29 124.546 124.546 121.495 3.051 18358 59 1 1 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.620 -0.618 18358 60 1 1 . 1 1 29 29 LEU H H 29 8.907 8.907 8.186 0.721 18358 61 1 1 . 1 1 31 31 CYS N N 31 117.630 117.630 116.356 1.274 18358 62 1 1 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.439 -0.272 18358 63 1 1 . 1 1 31 31 CYS H H 31 7.340 7.340 7.931 -0.591 18358 64 1 1 . 1 1 32 32 VAL N N 32 124.340 124.340 120.845 3.495 18358 65 1 1 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.881 -0.703 18358 66 1 1 . 1 1 32 32 VAL H H 32 8.718 8.718 7.698 1.020 18358 67 1 1 . 1 1 33 33 LEU N N 33 117.743 117.743 121.889 -4.146 18358 68 1 1 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.984 -0.292 18358 69 1 1 . 1 1 33 33 LEU H H 33 8.512 8.512 8.201 0.311 18358 70 1 1 . 1 1 34 34 ALA N N 34 120.707 120.707 121.226 -0.519 18358 71 1 1 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.039 0.028 18358 72 1 1 . 1 1 34 34 ALA H H 34 7.508 7.508 7.578 -0.070 18358 73 1 1 . 1 1 35 35 ALA N N 35 121.539 121.539 118.040 3.499 18358 74 1 1 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.540 -0.366 18358 75 1 1 . 1 1 35 35 ALA H H 35 7.765 7.765 7.654 0.111 18358 76 1 1 . 1 1 36 36 LEU N N 36 116.961 116.961 120.018 -3.057 18358 77 1 1 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.395 -0.188 18358 78 1 1 . 1 1 36 36 LEU H H 36 8.322 8.322 7.479 0.843 18358 79 1 1 . 1 1 37 37 LYS N N 37 121.909 121.909 118.447 3.462 18358 80 1 1 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.325 -0.337 18358 81 1 1 . 1 1 37 37 LYS H H 37 7.335 7.335 7.611 -0.276 18358 82 1 1 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.890 -0.100 18358 83 1 1 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.019 -0.034 18358 84 1 1 . 1 1 45 45 CYS N N 45 118.951 118.951 120.756 -1.805 18358 85 1 1 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.650 -0.309 18358 86 1 1 . 1 1 45 45 CYS H H 45 7.104 7.104 8.313 -1.209 18358 87 1 1 . 1 1 46 46 PHE N N 46 120.196 120.196 120.871 -0.675 18358 88 1 1 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.736 -0.137 18358 89 1 1 . 1 1 46 46 PHE H H 46 7.984 7.984 7.727 0.257 18358 90 1 1 . 1 1 47 47 CYS N N 47 115.827 115.827 118.928 -3.101 18358 91 1 1 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.559 -0.240 18358 92 1 1 . 1 1 47 47 CYS H H 47 8.773 8.773 8.184 0.589 18358 93 1 1 . 1 1 48 48 GLU N N 48 117.841 117.841 120.835 -2.994 18358 94 1 1 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.075 -0.146 18358 95 1 1 . 1 1 48 48 GLU H H 48 7.775 7.775 8.080 -0.305 18358 96 1 1 . 1 1 49 49 ASP N N 49 116.149 116.149 116.240 -0.091 18358 97 1 1 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.477 0.013 18358 98 1 1 . 1 1 49 49 ASP H H 49 6.791 6.791 8.424 -1.633 18358 99 1 1 . 1 1 50 50 HIS N N 50 121.887 121.887 119.320 2.567 18358 100 1 1 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.697 -0.214 18358 101 1 1 . 1 1 50 50 HIS H H 50 7.016 7.016 7.953 -0.937 18358 102 1 1 . 1 1 51 51 CYS N N 51 118.443 118.443 120.906 -2.463 18358 103 1 1 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.717 -0.227 18358 104 1 1 . 1 1 51 51 CYS H H 51 8.059 8.059 8.321 -0.262 18358 105 1 1 . 1 1 52 52 HIS N N 52 123.835 123.835 121.432 2.403 18358 106 1 1 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.532 0.049 18358 107 1 1 . 1 1 52 52 HIS H H 52 8.294 8.294 8.480 -0.186 18358 108 1 1 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.545 0.468 18358 109 1 1 . 1 1 55 55 CYS N N 55 116.926 116.926 117.850 -0.924 18358 110 1 1 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.177 0.052 18358 111 1 1 . 1 1 55 55 CYS H H 55 7.314 7.314 8.293 -0.979 18358 112 1 1 . 1 1 56 56 LYS N N 56 117.865 117.865 121.272 -3.407 18358 113 1 1 . 1 1 56 56 LYS HA H 56 4.115 4.115 3.957 0.158 18358 114 1 1 . 1 1 56 56 LYS H H 56 6.427 6.427 8.157 -1.730 18358 115 1 1 . 1 1 57 57 ASP N N 57 122.411 122.411 119.210 3.201 18358 116 1 1 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.475 -0.369 18358 117 1 1 . 1 1 57 57 ASP H H 57 8.415 8.415 8.055 0.360 18358 118 1 1 . 1 1 58 58 LEU N N 58 115.608 115.608 116.626 -1.018 18358 119 1 1 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.457 -0.245 18358 120 1 1 . 1 1 58 58 LEU H H 58 7.593 7.593 7.345 0.248 18358 121 1 1 . 1 1 59 59 HIS N N 59 113.919 113.919 118.284 -4.365 18358 122 1 1 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.338 -0.022 18358 123 1 1 . 1 1 59 59 HIS H H 59 7.866 7.866 7.524 0.342 18358 124 1 1 . 1 1 60 60 LEU N N 60 116.798 116.798 124.041 -7.243 18358 125 1 1 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.627 -0.336 18358 126 1 1 . 1 1 60 60 LEU H H 60 7.762 7.762 8.139 -0.377 18358 127 1 2 . 1 1 8 8 LEU N N 8 117.542 117.542 118.322 -0.780 18358 128 1 2 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.134 -0.013 18358 129 1 2 . 1 1 8 8 LEU H H 8 7.735 7.735 8.268 -0.533 18358 130 1 2 . 1 1 9 9 LYS N N 9 123.335 123.335 117.556 5.779 18358 131 1 2 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.265 -0.187 18358 132 1 2 . 1 1 9 9 LYS H H 9 7.831 7.831 7.613 0.218 18358 133 1 2 . 1 1 10 10 LYS N N 10 121.522 121.522 119.669 1.853 18358 134 1 2 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.563 -0.906 18358 135 1 2 . 1 1 10 10 LYS H H 10 8.627 8.627 7.562 1.065 18358 136 1 2 . 1 1 11 11 VAL N N 11 117.576 117.576 118.276 -0.700 18358 137 1 2 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.658 0.075 18358 138 1 2 . 1 1 11 11 VAL H H 11 7.491 7.491 8.422 -0.931 18358 139 1 2 . 1 1 12 12 ALA N N 12 123.018 123.018 120.144 2.874 18358 140 1 2 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.019 0.112 18358 141 1 2 . 1 1 12 12 ALA H H 12 7.898 7.898 8.155 -0.257 18358 142 1 2 . 1 1 13 13 CYS N N 13 113.951 113.951 108.442 5.509 18358 143 1 2 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.040 0.547 18358 144 1 2 . 1 1 13 13 CYS H H 13 8.394 8.394 8.048 0.346 18358 145 1 2 . 1 1 14 14 ALA N N 14 124.346 124.346 124.410 -0.064 18358 146 1 2 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.439 -0.412 18358 147 1 2 . 1 1 14 14 ALA H H 14 7.549 7.549 7.498 0.051 18358 148 1 2 . 1 1 15 15 ALA HA H 15 4.203 4.203 3.929 0.274 18358 149 1 2 . 1 1 16 16 ALA N N 16 124.554 124.554 121.633 2.921 18358 150 1 2 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.115 -0.040 18358 151 1 2 . 1 1 16 16 ALA H H 16 8.570 8.570 8.221 0.349 18358 152 1 2 . 1 1 17 17 ILE N N 17 119.462 119.462 118.509 0.953 18358 153 1 2 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.692 -0.276 18358 154 1 2 . 1 1 17 17 ILE H H 17 8.475 8.475 7.489 0.986 18358 155 1 2 . 1 1 18 18 ALA N N 18 121.295 121.295 120.967 0.328 18358 156 1 2 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.005 0.064 18358 157 1 2 . 1 1 18 18 ALA H H 18 8.288 8.288 8.380 -0.092 18358 158 1 2 . 1 1 19 19 GLY N N 19 105.669 105.669 104.422 1.247 18358 159 1 2 . 1 1 19 19 GLY H H 19 8.399 8.399 7.801 0.598 18358 160 1 2 . 1 1 20 20 ALA N N 20 127.175 127.175 123.977 3.198 18358 161 1 2 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.316 -0.235 18358 162 1 2 . 1 1 20 20 ALA H H 20 7.972 7.972 7.273 0.699 18358 163 1 2 . 1 1 21 21 VAL N N 21 118.978 118.978 119.404 -0.426 18358 164 1 2 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.609 -0.244 18358 165 1 2 . 1 1 21 21 VAL H H 21 8.435 8.435 7.484 0.951 18358 166 1 2 . 1 1 22 22 ALA N N 22 121.005 121.005 120.895 0.110 18358 167 1 2 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.168 -0.094 18358 168 1 2 . 1 1 22 22 ALA H H 22 7.835 7.835 7.756 0.079 18358 169 1 2 . 1 1 23 23 ALA N N 23 121.200 121.200 119.962 1.238 18358 170 1 2 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.182 -0.119 18358 171 1 2 . 1 1 23 23 ALA H H 23 8.062 8.062 7.667 0.395 18358 172 1 2 . 1 1 24 24 CYS N N 24 114.529 114.529 116.078 -1.549 18358 173 1 2 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.573 -0.085 18358 174 1 2 . 1 1 24 24 CYS H H 24 8.045 8.045 7.689 0.356 18358 175 1 2 . 1 1 25 25 GLY N N 25 109.695 109.695 109.336 0.359 18358 176 1 2 . 1 1 25 25 GLY H H 25 7.916 7.916 8.116 -0.200 18358 177 1 2 . 1 1 26 26 GLY N N 26 107.481 107.481 111.053 -3.572 18358 178 1 2 . 1 1 26 26 GLY H H 26 8.056 8.056 7.766 0.290 18358 179 1 2 . 1 1 27 27 ILE N N 27 117.952 117.952 122.062 -4.110 18358 180 1 2 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.562 -0.817 18358 181 1 2 . 1 1 27 27 ILE H H 27 8.342 8.342 8.400 -0.058 18358 182 1 2 . 1 1 28 28 ASP N N 28 128.285 128.285 129.243 -0.958 18358 183 1 2 . 1 1 28 28 ASP H H 28 7.060 7.060 8.575 -1.515 18358 184 1 2 . 1 1 29 29 LEU N N 29 124.546 124.546 116.907 7.639 18358 185 1 2 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.738 -0.736 18358 186 1 2 . 1 1 29 29 LEU H H 29 8.907 8.907 7.941 0.966 18358 187 1 2 . 1 1 31 31 CYS N N 31 117.630 117.630 116.493 1.137 18358 188 1 2 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.458 -0.291 18358 189 1 2 . 1 1 31 31 CYS H H 31 7.340 7.340 8.432 -1.092 18358 190 1 2 . 1 1 32 32 VAL N N 32 124.340 124.340 121.956 2.384 18358 191 1 2 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.864 -0.686 18358 192 1 2 . 1 1 32 32 VAL H H 32 8.718 8.718 8.136 0.582 18358 193 1 2 . 1 1 33 33 LEU N N 33 117.743 117.743 123.049 -5.306 18358 194 1 2 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.937 -0.245 18358 195 1 2 . 1 1 33 33 LEU H H 33 8.512 8.512 8.077 0.435 18358 196 1 2 . 1 1 34 34 ALA N N 34 120.707 120.707 116.596 4.111 18358 197 1 2 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.046 0.021 18358 198 1 2 . 1 1 34 34 ALA H H 34 7.508 7.508 8.597 -1.089 18358 199 1 2 . 1 1 35 35 ALA N N 35 121.539 121.539 120.437 1.102 18358 200 1 2 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.542 -0.368 18358 201 1 2 . 1 1 35 35 ALA H H 35 7.765 7.765 7.670 0.095 18358 202 1 2 . 1 1 36 36 LEU N N 36 116.961 116.961 115.490 1.471 18358 203 1 2 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.678 -0.471 18358 204 1 2 . 1 1 36 36 LEU H H 36 8.322 8.322 7.372 0.950 18358 205 1 2 . 1 1 37 37 LYS N N 37 121.909 121.909 118.607 3.302 18358 206 1 2 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.955 0.033 18358 207 1 2 . 1 1 37 37 LYS H H 37 7.335 7.335 7.668 -0.333 18358 208 1 2 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.708 0.082 18358 209 1 2 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.585 -0.600 18358 210 1 2 . 1 1 45 45 CYS N N 45 118.951 118.951 116.912 2.039 18358 211 1 2 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.761 -0.420 18358 212 1 2 . 1 1 45 45 CYS H H 45 7.104 7.104 7.975 -0.871 18358 213 1 2 . 1 1 46 46 PHE N N 46 120.196 120.196 122.629 -2.433 18358 214 1 2 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.319 0.280 18358 215 1 2 . 1 1 46 46 PHE H H 46 7.984 7.984 8.090 -0.106 18358 216 1 2 . 1 1 47 47 CYS N N 47 115.827 115.827 118.015 -2.188 18358 217 1 2 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.425 -0.106 18358 218 1 2 . 1 1 47 47 CYS H H 47 8.773 8.773 7.885 0.888 18358 219 1 2 . 1 1 48 48 GLU N N 48 117.841 117.841 120.574 -2.733 18358 220 1 2 . 1 1 48 48 GLU HA H 48 3.929 3.929 3.880 0.049 18358 221 1 2 . 1 1 48 48 GLU H H 48 7.775 7.775 7.428 0.347 18358 222 1 2 . 1 1 49 49 ASP N N 49 116.149 116.149 115.500 0.649 18358 223 1 2 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.484 0.006 18358 224 1 2 . 1 1 49 49 ASP H H 49 6.791 6.791 7.942 -1.151 18358 225 1 2 . 1 1 50 50 HIS N N 50 121.887 121.887 117.693 4.194 18358 226 1 2 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.438 0.045 18358 227 1 2 . 1 1 50 50 HIS H H 50 7.016 7.016 7.285 -0.269 18358 228 1 2 . 1 1 51 51 CYS N N 51 118.443 118.443 120.270 -1.827 18358 229 1 2 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.512 -0.022 18358 230 1 2 . 1 1 51 51 CYS H H 51 8.059 8.059 7.663 0.396 18358 231 1 2 . 1 1 52 52 HIS N N 52 123.835 123.835 116.742 7.093 18358 232 1 2 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.722 -0.141 18358 233 1 2 . 1 1 52 52 HIS H H 52 8.294 8.294 7.606 0.688 18358 234 1 2 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.884 0.129 18358 235 1 2 . 1 1 55 55 CYS N N 55 116.926 116.926 118.425 -1.499 18358 236 1 2 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.381 -0.152 18358 237 1 2 . 1 1 55 55 CYS H H 55 7.314 7.314 8.209 -0.895 18358 238 1 2 . 1 1 56 56 LYS N N 56 117.865 117.865 120.353 -2.488 18358 239 1 2 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.170 -0.055 18358 240 1 2 . 1 1 56 56 LYS H H 56 6.427 6.427 7.834 -1.407 18358 241 1 2 . 1 1 57 57 ASP N N 57 122.411 122.411 119.622 2.789 18358 242 1 2 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.512 -0.406 18358 243 1 2 . 1 1 57 57 ASP H H 57 8.415 8.415 7.944 0.471 18358 244 1 2 . 1 1 58 58 LEU N N 58 115.608 115.608 116.629 -1.021 18358 245 1 2 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.432 -0.220 18358 246 1 2 . 1 1 58 58 LEU H H 58 7.593 7.593 7.217 0.376 18358 247 1 2 . 1 1 59 59 HIS N N 59 113.919 113.919 117.791 -3.872 18358 248 1 2 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.299 0.017 18358 249 1 2 . 1 1 59 59 HIS H H 59 7.866 7.866 7.772 0.094 18358 250 1 2 . 1 1 60 60 LEU N N 60 116.798 116.798 121.541 -4.743 18358 251 1 2 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.631 -0.340 18358 252 1 2 . 1 1 60 60 LEU H H 60 7.762 7.762 8.477 -0.715 18358 253 1 3 . 1 1 8 8 LEU N N 8 117.542 117.542 117.582 -0.040 18358 254 1 3 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.075 0.046 18358 255 1 3 . 1 1 8 8 LEU H H 8 7.735 7.735 8.081 -0.346 18358 256 1 3 . 1 1 9 9 LYS N N 9 123.335 123.335 115.321 8.014 18358 257 1 3 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.239 -0.161 18358 258 1 3 . 1 1 9 9 LYS H H 9 7.831 7.831 8.019 -0.188 18358 259 1 3 . 1 1 10 10 LYS N N 10 121.522 121.522 121.089 0.433 18358 260 1 3 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.432 -0.775 18358 261 1 3 . 1 1 10 10 LYS H H 10 8.627 8.627 7.382 1.245 18358 262 1 3 . 1 1 11 11 VAL N N 11 117.576 117.576 116.459 1.117 18358 263 1 3 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.647 0.086 18358 264 1 3 . 1 1 11 11 VAL H H 11 7.491 7.491 8.302 -0.811 18358 265 1 3 . 1 1 12 12 ALA N N 12 123.018 123.018 120.407 2.611 18358 266 1 3 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.930 0.201 18358 267 1 3 . 1 1 12 12 ALA H H 12 7.898 7.898 7.891 0.007 18358 268 1 3 . 1 1 13 13 CYS N N 13 113.951 113.951 109.478 4.473 18358 269 1 3 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.891 0.696 18358 270 1 3 . 1 1 13 13 CYS H H 13 8.394 8.394 8.332 0.062 18358 271 1 3 . 1 1 14 14 ALA N N 14 124.346 124.346 123.205 1.141 18358 272 1 3 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.138 -0.111 18358 273 1 3 . 1 1 14 14 ALA H H 14 7.549 7.549 7.803 -0.254 18358 274 1 3 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.305 -0.102 18358 275 1 3 . 1 1 16 16 ALA N N 16 124.554 124.554 119.863 4.691 18358 276 1 3 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.363 -0.288 18358 277 1 3 . 1 1 16 16 ALA H H 16 8.570 8.570 7.557 1.013 18358 278 1 3 . 1 1 17 17 ILE N N 17 119.462 119.462 121.052 -1.590 18358 279 1 3 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.779 -0.363 18358 280 1 3 . 1 1 17 17 ILE H H 17 8.475 8.475 8.347 0.128 18358 281 1 3 . 1 1 18 18 ALA N N 18 121.295 121.295 121.584 -0.289 18358 282 1 3 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.057 0.012 18358 283 1 3 . 1 1 18 18 ALA H H 18 8.288 8.288 7.625 0.663 18358 284 1 3 . 1 1 19 19 GLY N N 19 105.669 105.669 104.978 0.691 18358 285 1 3 . 1 1 19 19 GLY H H 19 8.399 8.399 8.099 0.300 18358 286 1 3 . 1 1 20 20 ALA N N 20 127.175 127.175 124.077 3.098 18358 287 1 3 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.257 -0.176 18358 288 1 3 . 1 1 20 20 ALA H H 20 7.972 7.972 7.381 0.591 18358 289 1 3 . 1 1 21 21 VAL N N 21 118.978 118.978 119.084 -0.106 18358 290 1 3 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.645 -0.280 18358 291 1 3 . 1 1 21 21 VAL H H 21 8.435 8.435 7.358 1.077 18358 292 1 3 . 1 1 22 22 ALA N N 22 121.005 121.005 120.269 0.736 18358 293 1 3 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.056 0.018 18358 294 1 3 . 1 1 22 22 ALA H H 22 7.835 7.835 7.651 0.184 18358 295 1 3 . 1 1 23 23 ALA N N 23 121.200 121.200 120.144 1.056 18358 296 1 3 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.114 -0.051 18358 297 1 3 . 1 1 23 23 ALA H H 23 8.062 8.062 7.902 0.160 18358 298 1 3 . 1 1 24 24 CYS N N 24 114.529 114.529 115.291 -0.762 18358 299 1 3 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.591 -0.103 18358 300 1 3 . 1 1 24 24 CYS H H 24 8.045 8.045 7.864 0.181 18358 301 1 3 . 1 1 25 25 GLY N N 25 109.695 109.695 109.910 -0.215 18358 302 1 3 . 1 1 25 25 GLY H H 25 7.916 7.916 8.260 -0.344 18358 303 1 3 . 1 1 26 26 GLY N N 26 107.481 107.481 108.645 -1.164 18358 304 1 3 . 1 1 26 26 GLY H H 26 8.056 8.056 7.672 0.384 18358 305 1 3 . 1 1 27 27 ILE N N 27 117.952 117.952 120.851 -2.899 18358 306 1 3 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.439 -0.694 18358 307 1 3 . 1 1 27 27 ILE H H 27 8.342 8.342 8.404 -0.062 18358 308 1 3 . 1 1 28 28 ASP N N 28 128.285 128.285 128.324 -0.039 18358 309 1 3 . 1 1 28 28 ASP H H 28 7.060 7.060 8.790 -1.730 18358 310 1 3 . 1 1 29 29 LEU N N 29 124.546 124.546 117.596 6.950 18358 311 1 3 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.593 -0.591 18358 312 1 3 . 1 1 29 29 LEU H H 29 8.907 8.907 7.876 1.031 18358 313 1 3 . 1 1 31 31 CYS N N 31 117.630 117.630 114.145 3.485 18358 314 1 3 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.684 -0.517 18358 315 1 3 . 1 1 31 31 CYS H H 31 7.340 7.340 7.951 -0.611 18358 316 1 3 . 1 1 32 32 VAL N N 32 124.340 124.340 122.301 2.039 18358 317 1 3 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.920 -0.742 18358 318 1 3 . 1 1 32 32 VAL H H 32 8.718 8.718 8.024 0.694 18358 319 1 3 . 1 1 33 33 LEU N N 33 117.743 117.743 118.232 -0.489 18358 320 1 3 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.108 -0.416 18358 321 1 3 . 1 1 33 33 LEU H H 33 8.512 8.512 7.641 0.871 18358 322 1 3 . 1 1 34 34 ALA N N 34 120.707 120.707 124.627 -3.920 18358 323 1 3 . 1 1 34 34 ALA HA H 34 4.067 4.067 3.999 0.068 18358 324 1 3 . 1 1 34 34 ALA H H 34 7.508 7.508 7.566 -0.058 18358 325 1 3 . 1 1 35 35 ALA N N 35 121.539 121.539 117.237 4.302 18358 326 1 3 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.437 -0.263 18358 327 1 3 . 1 1 35 35 ALA H H 35 7.765 7.765 7.981 -0.216 18358 328 1 3 . 1 1 36 36 LEU N N 36 116.961 116.961 119.865 -2.904 18358 329 1 3 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.577 -0.370 18358 330 1 3 . 1 1 36 36 LEU H H 36 8.322 8.322 7.476 0.846 18358 331 1 3 . 1 1 37 37 LYS N N 37 121.909 121.909 121.004 0.905 18358 332 1 3 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.089 -0.101 18358 333 1 3 . 1 1 37 37 LYS H H 37 7.335 7.335 8.127 -0.792 18358 334 1 3 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.602 0.188 18358 335 1 3 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.709 -0.724 18358 336 1 3 . 1 1 45 45 CYS N N 45 118.951 118.951 118.403 0.548 18358 337 1 3 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.391 -0.050 18358 338 1 3 . 1 1 45 45 CYS H H 45 7.104 7.104 8.510 -1.406 18358 339 1 3 . 1 1 46 46 PHE N N 46 120.196 120.196 120.846 -0.650 18358 340 1 3 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.556 0.043 18358 341 1 3 . 1 1 46 46 PHE H H 46 7.984 7.984 7.847 0.137 18358 342 1 3 . 1 1 47 47 CYS N N 47 115.827 115.827 117.211 -1.384 18358 343 1 3 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.529 -0.210 18358 344 1 3 . 1 1 47 47 CYS H H 47 8.773 8.773 7.883 0.890 18358 345 1 3 . 1 1 48 48 GLU N N 48 117.841 117.841 122.918 -5.077 18358 346 1 3 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.158 -0.229 18358 347 1 3 . 1 1 48 48 GLU H H 48 7.775 7.775 7.958 -0.183 18358 348 1 3 . 1 1 49 49 ASP N N 49 116.149 116.149 116.165 -0.016 18358 349 1 3 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.601 -0.111 18358 350 1 3 . 1 1 49 49 ASP H H 49 6.791 6.791 8.287 -1.496 18358 351 1 3 . 1 1 50 50 HIS N N 50 121.887 121.887 118.797 3.090 18358 352 1 3 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.887 -0.404 18358 353 1 3 . 1 1 50 50 HIS H H 50 7.016 7.016 7.924 -0.908 18358 354 1 3 . 1 1 51 51 CYS N N 51 118.443 118.443 120.707 -2.264 18358 355 1 3 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.852 -0.362 18358 356 1 3 . 1 1 51 51 CYS H H 51 8.059 8.059 8.088 -0.029 18358 357 1 3 . 1 1 52 52 HIS N N 52 123.835 123.835 117.528 6.307 18358 358 1 3 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.863 -0.282 18358 359 1 3 . 1 1 52 52 HIS H H 52 8.294 8.294 8.109 0.185 18358 360 1 3 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.832 0.181 18358 361 1 3 . 1 1 55 55 CYS N N 55 116.926 116.926 118.140 -1.214 18358 362 1 3 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.151 0.078 18358 363 1 3 . 1 1 55 55 CYS H H 55 7.314 7.314 8.277 -0.963 18358 364 1 3 . 1 1 56 56 LYS N N 56 117.865 117.865 118.786 -0.921 18358 365 1 3 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.485 -0.370 18358 366 1 3 . 1 1 56 56 LYS H H 56 6.427 6.427 7.955 -1.528 18358 367 1 3 . 1 1 57 57 ASP N N 57 122.411 122.411 120.900 1.511 18358 368 1 3 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.571 -0.465 18358 369 1 3 . 1 1 57 57 ASP H H 57 8.415 8.415 7.720 0.695 18358 370 1 3 . 1 1 58 58 LEU N N 58 115.608 115.608 117.945 -2.337 18358 371 1 3 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.401 -0.189 18358 372 1 3 . 1 1 58 58 LEU H H 58 7.593 7.593 7.499 0.094 18358 373 1 3 . 1 1 59 59 HIS N N 59 113.919 113.919 119.326 -5.407 18358 374 1 3 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.310 0.006 18358 375 1 3 . 1 1 59 59 HIS H H 59 7.866 7.866 7.842 0.024 18358 376 1 3 . 1 1 60 60 LEU N N 60 116.798 116.798 119.067 -2.269 18358 377 1 3 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.742 -0.451 18358 378 1 3 . 1 1 60 60 LEU H H 60 7.762 7.762 8.330 -0.568 18358 379 1 4 . 1 1 8 8 LEU N N 8 117.542 117.542 115.250 2.292 18358 380 1 4 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.516 -0.395 18358 381 1 4 . 1 1 8 8 LEU H H 8 7.735 7.735 7.813 -0.078 18358 382 1 4 . 1 1 9 9 LYS N N 9 123.335 123.335 119.267 4.068 18358 383 1 4 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.391 -0.313 18358 384 1 4 . 1 1 9 9 LYS H H 9 7.831 7.831 8.339 -0.508 18358 385 1 4 . 1 1 10 10 LYS N N 10 121.522 121.522 117.854 3.668 18358 386 1 4 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.249 -0.592 18358 387 1 4 . 1 1 10 10 LYS H H 10 8.627 8.627 7.499 1.128 18358 388 1 4 . 1 1 11 11 VAL N N 11 117.576 117.576 118.262 -0.686 18358 389 1 4 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.670 0.063 18358 390 1 4 . 1 1 11 11 VAL H H 11 7.491 7.491 8.111 -0.620 18358 391 1 4 . 1 1 12 12 ALA N N 12 123.018 123.018 118.649 4.369 18358 392 1 4 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.868 0.263 18358 393 1 4 . 1 1 12 12 ALA H H 12 7.898 7.898 8.663 -0.765 18358 394 1 4 . 1 1 13 13 CYS N N 13 113.951 113.951 110.353 3.598 18358 395 1 4 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.014 0.573 18358 396 1 4 . 1 1 13 13 CYS H H 13 8.394 8.394 7.896 0.498 18358 397 1 4 . 1 1 14 14 ALA N N 14 124.346 124.346 122.796 1.550 18358 398 1 4 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.216 -0.189 18358 399 1 4 . 1 1 14 14 ALA H H 14 7.549 7.549 7.964 -0.415 18358 400 1 4 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.533 -0.330 18358 401 1 4 . 1 1 16 16 ALA N N 16 124.554 124.554 119.293 5.261 18358 402 1 4 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.733 -0.658 18358 403 1 4 . 1 1 16 16 ALA H H 16 8.570 8.570 7.276 1.294 18358 404 1 4 . 1 1 17 17 ILE N N 17 119.462 119.462 121.697 -2.235 18358 405 1 4 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.666 -0.250 18358 406 1 4 . 1 1 17 17 ILE H H 17 8.475 8.475 7.785 0.690 18358 407 1 4 . 1 1 18 18 ALA N N 18 121.295 121.295 121.809 -0.514 18358 408 1 4 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.000 0.069 18358 409 1 4 . 1 1 18 18 ALA H H 18 8.288 8.288 7.722 0.566 18358 410 1 4 . 1 1 19 19 GLY N N 19 105.669 105.669 105.450 0.219 18358 411 1 4 . 1 1 19 19 GLY H H 19 8.399 8.399 8.094 0.305 18358 412 1 4 . 1 1 20 20 ALA N N 20 127.175 127.175 124.429 2.746 18358 413 1 4 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.056 0.025 18358 414 1 4 . 1 1 20 20 ALA H H 20 7.972 7.972 7.550 0.422 18358 415 1 4 . 1 1 21 21 VAL N N 21 118.978 118.978 118.980 -0.002 18358 416 1 4 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.898 -0.533 18358 417 1 4 . 1 1 21 21 VAL H H 21 8.435 8.435 8.114 0.321 18358 418 1 4 . 1 1 22 22 ALA N N 22 121.005 121.005 121.666 -0.661 18358 419 1 4 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.088 -0.014 18358 420 1 4 . 1 1 22 22 ALA H H 22 7.835 7.835 7.670 0.165 18358 421 1 4 . 1 1 23 23 ALA N N 23 121.200 121.200 120.158 1.042 18358 422 1 4 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.172 -0.109 18358 423 1 4 . 1 1 23 23 ALA H H 23 8.062 8.062 7.505 0.557 18358 424 1 4 . 1 1 24 24 CYS N N 24 114.529 114.529 114.695 -0.166 18358 425 1 4 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.709 -0.221 18358 426 1 4 . 1 1 24 24 CYS H H 24 8.045 8.045 7.920 0.125 18358 427 1 4 . 1 1 25 25 GLY N N 25 109.695 109.695 108.951 0.744 18358 428 1 4 . 1 1 25 25 GLY H H 25 7.916 7.916 7.906 0.010 18358 429 1 4 . 1 1 26 26 GLY N N 26 107.481 107.481 107.781 -0.300 18358 430 1 4 . 1 1 26 26 GLY H H 26 8.056 8.056 8.161 -0.105 18358 431 1 4 . 1 1 27 27 ILE N N 27 117.952 117.952 116.682 1.270 18358 432 1 4 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.229 -0.484 18358 433 1 4 . 1 1 27 27 ILE H H 27 8.342 8.342 8.208 0.134 18358 434 1 4 . 1 1 28 28 ASP N N 28 128.285 128.285 125.074 3.211 18358 435 1 4 . 1 1 28 28 ASP H H 28 7.060 7.060 8.089 -1.029 18358 436 1 4 . 1 1 29 29 LEU N N 29 124.546 124.546 116.954 7.592 18358 437 1 4 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.714 -0.712 18358 438 1 4 . 1 1 29 29 LEU H H 29 8.907 8.907 8.371 0.536 18358 439 1 4 . 1 1 31 31 CYS N N 31 117.630 117.630 110.816 6.814 18358 440 1 4 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.745 -0.578 18358 441 1 4 . 1 1 31 31 CYS H H 31 7.340 7.340 7.866 -0.526 18358 442 1 4 . 1 1 32 32 VAL N N 32 124.340 124.340 123.511 0.829 18358 443 1 4 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.882 -0.704 18358 444 1 4 . 1 1 32 32 VAL H H 32 8.718 8.718 7.835 0.883 18358 445 1 4 . 1 1 33 33 LEU N N 33 117.743 117.743 118.437 -0.694 18358 446 1 4 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.078 -0.386 18358 447 1 4 . 1 1 33 33 LEU H H 33 8.512 8.512 8.201 0.311 18358 448 1 4 . 1 1 34 34 ALA N N 34 120.707 120.707 122.732 -2.025 18358 449 1 4 . 1 1 34 34 ALA HA H 34 4.067 4.067 3.994 0.073 18358 450 1 4 . 1 1 34 34 ALA H H 34 7.508 7.508 7.618 -0.110 18358 451 1 4 . 1 1 35 35 ALA N N 35 121.539 121.539 119.681 1.858 18358 452 1 4 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.128 0.046 18358 453 1 4 . 1 1 35 35 ALA H H 35 7.765 7.765 7.966 -0.201 18358 454 1 4 . 1 1 36 36 LEU N N 36 116.961 116.961 119.126 -2.165 18358 455 1 4 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.263 -0.056 18358 456 1 4 . 1 1 36 36 LEU H H 36 8.322 8.322 7.989 0.333 18358 457 1 4 . 1 1 37 37 LYS N N 37 121.909 121.909 117.002 4.907 18358 458 1 4 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.282 -0.294 18358 459 1 4 . 1 1 37 37 LYS H H 37 7.335 7.335 7.732 -0.397 18358 460 1 4 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.194 0.596 18358 461 1 4 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.363 -0.378 18358 462 1 4 . 1 1 45 45 CYS N N 45 118.951 118.951 118.722 0.229 18358 463 1 4 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.317 0.024 18358 464 1 4 . 1 1 45 45 CYS H H 45 7.104 7.104 8.324 -1.220 18358 465 1 4 . 1 1 46 46 PHE N N 46 120.196 120.196 117.494 2.702 18358 466 1 4 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.803 -0.204 18358 467 1 4 . 1 1 46 46 PHE H H 46 7.984 7.984 7.536 0.448 18358 468 1 4 . 1 1 47 47 CYS N N 47 115.827 115.827 120.755 -4.928 18358 469 1 4 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.193 0.126 18358 470 1 4 . 1 1 47 47 CYS H H 47 8.773 8.773 7.388 1.385 18358 471 1 4 . 1 1 48 48 GLU N N 48 117.841 117.841 120.658 -2.817 18358 472 1 4 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.013 -0.084 18358 473 1 4 . 1 1 48 48 GLU H H 48 7.775 7.775 7.777 -0.002 18358 474 1 4 . 1 1 49 49 ASP N N 49 116.149 116.149 118.637 -2.488 18358 475 1 4 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.502 -0.012 18358 476 1 4 . 1 1 49 49 ASP H H 49 6.791 6.791 8.508 -1.717 18358 477 1 4 . 1 1 50 50 HIS N N 50 121.887 121.887 114.178 7.709 18358 478 1 4 . 1 1 50 50 HIS HA H 50 4.483 4.483 5.023 -0.540 18358 479 1 4 . 1 1 50 50 HIS H H 50 7.016 7.016 8.125 -1.109 18358 480 1 4 . 1 1 51 51 CYS N N 51 118.443 118.443 121.889 -3.446 18358 481 1 4 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.748 -0.258 18358 482 1 4 . 1 1 51 51 CYS H H 51 8.059 8.059 8.947 -0.888 18358 483 1 4 . 1 1 52 52 HIS N N 52 123.835 123.835 120.168 3.667 18358 484 1 4 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.424 0.157 18358 485 1 4 . 1 1 52 52 HIS H H 52 8.294 8.294 8.131 0.163 18358 486 1 4 . 1 1 54 54 VAL HA H 54 4.013 4.013 4.145 -0.132 18358 487 1 4 . 1 1 55 55 CYS N N 55 116.926 116.926 118.868 -1.942 18358 488 1 4 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.332 -0.103 18358 489 1 4 . 1 1 55 55 CYS H H 55 7.314 7.314 7.883 -0.569 18358 490 1 4 . 1 1 56 56 LYS N N 56 117.865 117.865 119.812 -1.947 18358 491 1 4 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.202 -0.087 18358 492 1 4 . 1 1 56 56 LYS H H 56 6.427 6.427 7.852 -1.425 18358 493 1 4 . 1 1 57 57 ASP N N 57 122.411 122.411 119.273 3.138 18358 494 1 4 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.426 -0.320 18358 495 1 4 . 1 1 57 57 ASP H H 57 8.415 8.415 7.829 0.586 18358 496 1 4 . 1 1 58 58 LEU N N 58 115.608 115.608 117.819 -2.211 18358 497 1 4 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.411 -0.199 18358 498 1 4 . 1 1 58 58 LEU H H 58 7.593 7.593 7.664 -0.071 18358 499 1 4 . 1 1 59 59 HIS N N 59 113.919 113.919 118.485 -4.566 18358 500 1 4 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.708 -0.392 18358 501 1 4 . 1 1 59 59 HIS H H 59 7.866 7.866 8.018 -0.152 18358 502 1 4 . 1 1 60 60 LEU N N 60 116.798 116.798 126.180 -9.382 18358 503 1 4 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.482 -0.191 18358 504 1 4 . 1 1 60 60 LEU H H 60 7.762 7.762 8.111 -0.349 18358 505 1 5 . 1 1 8 8 LEU N N 8 117.542 117.542 121.344 -3.802 18358 506 1 5 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.122 -0.001 18358 507 1 5 . 1 1 8 8 LEU H H 8 7.735 7.735 8.089 -0.354 18358 508 1 5 . 1 1 9 9 LYS N N 9 123.335 123.335 116.696 6.639 18358 509 1 5 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.173 -0.095 18358 510 1 5 . 1 1 9 9 LYS H H 9 7.831 7.831 7.799 0.032 18358 511 1 5 . 1 1 10 10 LYS N N 10 121.522 121.522 118.163 3.359 18358 512 1 5 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.320 -0.663 18358 513 1 5 . 1 1 10 10 LYS H H 10 8.627 8.627 7.515 1.112 18358 514 1 5 . 1 1 11 11 VAL N N 11 117.576 117.576 117.096 0.480 18358 515 1 5 . 1 1 11 11 VAL HA H 11 3.733 3.733 4.184 -0.451 18358 516 1 5 . 1 1 11 11 VAL H H 11 7.491 7.491 7.575 -0.084 18358 517 1 5 . 1 1 12 12 ALA N N 12 123.018 123.018 123.018 0.000 18358 518 1 5 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.429 -0.298 18358 519 1 5 . 1 1 12 12 ALA H H 12 7.898 7.898 8.066 -0.168 18358 520 1 5 . 1 1 13 13 CYS N N 13 113.951 113.951 113.900 0.051 18358 521 1 5 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.461 0.126 18358 522 1 5 . 1 1 13 13 CYS H H 13 8.394 8.394 8.142 0.252 18358 523 1 5 . 1 1 14 14 ALA N N 14 124.346 124.346 122.561 1.785 18358 524 1 5 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.260 -0.233 18358 525 1 5 . 1 1 14 14 ALA H H 14 7.549 7.549 7.852 -0.303 18358 526 1 5 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.325 -0.122 18358 527 1 5 . 1 1 16 16 ALA N N 16 124.554 124.554 121.952 2.602 18358 528 1 5 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.207 -0.132 18358 529 1 5 . 1 1 16 16 ALA H H 16 8.570 8.570 7.767 0.803 18358 530 1 5 . 1 1 17 17 ILE N N 17 119.462 119.462 119.367 0.095 18358 531 1 5 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.778 -0.362 18358 532 1 5 . 1 1 17 17 ILE H H 17 8.475 8.475 7.462 1.013 18358 533 1 5 . 1 1 18 18 ALA N N 18 121.295 121.295 120.926 0.369 18358 534 1 5 . 1 1 18 18 ALA HA H 18 4.069 4.069 3.960 0.109 18358 535 1 5 . 1 1 18 18 ALA H H 18 8.288 8.288 8.498 -0.210 18358 536 1 5 . 1 1 19 19 GLY N N 19 105.669 105.669 104.618 1.051 18358 537 1 5 . 1 1 19 19 GLY H H 19 8.399 8.399 7.630 0.769 18358 538 1 5 . 1 1 20 20 ALA N N 20 127.175 127.175 124.699 2.476 18358 539 1 5 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.259 -0.178 18358 540 1 5 . 1 1 20 20 ALA H H 20 7.972 7.972 7.590 0.382 18358 541 1 5 . 1 1 21 21 VAL N N 21 118.978 118.978 120.001 -1.023 18358 542 1 5 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.770 -0.405 18358 543 1 5 . 1 1 21 21 VAL H H 21 8.435 8.435 7.591 0.844 18358 544 1 5 . 1 1 22 22 ALA N N 22 121.005 121.005 121.024 -0.019 18358 545 1 5 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.072 0.002 18358 546 1 5 . 1 1 22 22 ALA H H 22 7.835 7.835 7.524 0.311 18358 547 1 5 . 1 1 23 23 ALA N N 23 121.200 121.200 120.348 0.852 18358 548 1 5 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.071 -0.008 18358 549 1 5 . 1 1 23 23 ALA H H 23 8.062 8.062 7.730 0.332 18358 550 1 5 . 1 1 24 24 CYS N N 24 114.529 114.529 115.474 -0.945 18358 551 1 5 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.588 -0.100 18358 552 1 5 . 1 1 24 24 CYS H H 24 8.045 8.045 7.980 0.065 18358 553 1 5 . 1 1 25 25 GLY N N 25 109.695 109.695 108.802 0.893 18358 554 1 5 . 1 1 25 25 GLY H H 25 7.916 7.916 8.012 -0.096 18358 555 1 5 . 1 1 26 26 GLY N N 26 107.481 107.481 107.628 -0.147 18358 556 1 5 . 1 1 26 26 GLY H H 26 8.056 8.056 8.037 0.019 18358 557 1 5 . 1 1 27 27 ILE N N 27 117.952 117.952 120.295 -2.343 18358 558 1 5 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.608 -0.863 18358 559 1 5 . 1 1 27 27 ILE H H 27 8.342 8.342 8.335 0.007 18358 560 1 5 . 1 1 28 28 ASP N N 28 128.285 128.285 127.576 0.709 18358 561 1 5 . 1 1 28 28 ASP H H 28 7.060 7.060 8.874 -1.814 18358 562 1 5 . 1 1 29 29 LEU N N 29 124.546 124.546 117.656 6.890 18358 563 1 5 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.719 -0.717 18358 564 1 5 . 1 1 29 29 LEU H H 29 8.907 8.907 8.319 0.588 18358 565 1 5 . 1 1 31 31 CYS N N 31 117.630 117.630 113.004 4.626 18358 566 1 5 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.470 -0.303 18358 567 1 5 . 1 1 31 31 CYS H H 31 7.340 7.340 8.597 -1.257 18358 568 1 5 . 1 1 32 32 VAL N N 32 124.340 124.340 122.041 2.299 18358 569 1 5 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.881 -0.703 18358 570 1 5 . 1 1 32 32 VAL H H 32 8.718 8.718 7.470 1.248 18358 571 1 5 . 1 1 33 33 LEU N N 33 117.743 117.743 121.258 -3.515 18358 572 1 5 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.002 -0.310 18358 573 1 5 . 1 1 33 33 LEU H H 33 8.512 8.512 8.440 0.072 18358 574 1 5 . 1 1 34 34 ALA N N 34 120.707 120.707 121.250 -0.543 18358 575 1 5 . 1 1 34 34 ALA HA H 34 4.067 4.067 3.918 0.149 18358 576 1 5 . 1 1 34 34 ALA H H 34 7.508 7.508 7.609 -0.101 18358 577 1 5 . 1 1 35 35 ALA N N 35 121.539 121.539 118.282 3.257 18358 578 1 5 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.155 0.019 18358 579 1 5 . 1 1 35 35 ALA H H 35 7.765 7.765 7.646 0.119 18358 580 1 5 . 1 1 36 36 LEU N N 36 116.961 116.961 117.242 -0.281 18358 581 1 5 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.478 -0.271 18358 582 1 5 . 1 1 36 36 LEU H H 36 8.322 8.322 7.418 0.904 18358 583 1 5 . 1 1 37 37 LYS N N 37 121.909 121.909 120.625 1.284 18358 584 1 5 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.245 -0.257 18358 585 1 5 . 1 1 37 37 LYS H H 37 7.335 7.335 8.020 -0.685 18358 586 1 5 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.512 0.278 18358 587 1 5 . 1 1 43 43 ALA HA H 43 3.985 3.985 3.915 0.070 18358 588 1 5 . 1 1 45 45 CYS N N 45 118.951 118.951 120.270 -1.319 18358 589 1 5 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.560 -0.219 18358 590 1 5 . 1 1 45 45 CYS H H 45 7.104 7.104 7.602 -0.498 18358 591 1 5 . 1 1 46 46 PHE N N 46 120.196 120.196 122.015 -1.819 18358 592 1 5 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.402 0.197 18358 593 1 5 . 1 1 46 46 PHE H H 46 7.984 7.984 7.737 0.247 18358 594 1 5 . 1 1 47 47 CYS N N 47 115.827 115.827 121.107 -5.280 18358 595 1 5 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.839 -0.520 18358 596 1 5 . 1 1 47 47 CYS H H 47 8.773 8.773 8.344 0.429 18358 597 1 5 . 1 1 48 48 GLU N N 48 117.841 117.841 123.972 -6.131 18358 598 1 5 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.375 -0.446 18358 599 1 5 . 1 1 48 48 GLU H H 48 7.775 7.775 7.754 0.021 18358 600 1 5 . 1 1 49 49 ASP N N 49 116.149 116.149 118.592 -2.443 18358 601 1 5 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.543 -0.053 18358 602 1 5 . 1 1 49 49 ASP H H 49 6.791 6.791 8.614 -1.823 18358 603 1 5 . 1 1 50 50 HIS N N 50 121.887 121.887 117.394 4.493 18358 604 1 5 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.650 -0.167 18358 605 1 5 . 1 1 50 50 HIS H H 50 7.016 7.016 7.876 -0.860 18358 606 1 5 . 1 1 51 51 CYS N N 51 118.443 118.443 125.686 -7.243 18358 607 1 5 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.236 0.254 18358 608 1 5 . 1 1 51 51 CYS H H 51 8.059 8.059 8.589 -0.530 18358 609 1 5 . 1 1 52 52 HIS N N 52 123.835 123.835 118.920 4.915 18358 610 1 5 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.699 -0.118 18358 611 1 5 . 1 1 52 52 HIS H H 52 8.294 8.294 7.941 0.353 18358 612 1 5 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.709 0.304 18358 613 1 5 . 1 1 55 55 CYS N N 55 116.926 116.926 118.480 -1.554 18358 614 1 5 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.184 0.045 18358 615 1 5 . 1 1 55 55 CYS H H 55 7.314 7.314 8.109 -0.795 18358 616 1 5 . 1 1 56 56 LYS N N 56 117.865 117.865 121.607 -3.742 18358 617 1 5 . 1 1 56 56 LYS HA H 56 4.115 4.115 3.964 0.151 18358 618 1 5 . 1 1 56 56 LYS H H 56 6.427 6.427 7.676 -1.249 18358 619 1 5 . 1 1 57 57 ASP N N 57 122.411 122.411 118.671 3.740 18358 620 1 5 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.310 -0.204 18358 621 1 5 . 1 1 57 57 ASP H H 57 8.415 8.415 7.482 0.933 18358 622 1 5 . 1 1 58 58 LEU N N 58 115.608 115.608 118.205 -2.597 18358 623 1 5 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.315 -0.103 18358 624 1 5 . 1 1 58 58 LEU H H 58 7.593 7.593 7.425 0.168 18358 625 1 5 . 1 1 59 59 HIS N N 59 113.919 113.919 116.590 -2.671 18358 626 1 5 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.289 0.027 18358 627 1 5 . 1 1 59 59 HIS H H 59 7.866 7.866 7.545 0.321 18358 628 1 5 . 1 1 60 60 LEU N N 60 116.798 116.798 115.466 1.332 18358 629 1 5 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.835 -0.544 18358 630 1 5 . 1 1 60 60 LEU H H 60 7.762 7.762 8.211 -0.449 18358 631 1 6 . 1 1 8 8 LEU N N 8 117.542 117.542 120.844 -3.302 18358 632 1 6 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.179 -0.058 18358 633 1 6 . 1 1 8 8 LEU H H 8 7.735 7.735 8.299 -0.564 18358 634 1 6 . 1 1 9 9 LYS N N 9 123.335 123.335 115.284 8.051 18358 635 1 6 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.338 -0.260 18358 636 1 6 . 1 1 9 9 LYS H H 9 7.831 7.831 8.257 -0.426 18358 637 1 6 . 1 1 10 10 LYS N N 10 121.522 121.522 118.530 2.992 18358 638 1 6 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.427 -0.770 18358 639 1 6 . 1 1 10 10 LYS H H 10 8.627 8.627 7.428 1.199 18358 640 1 6 . 1 1 11 11 VAL N N 11 117.576 117.576 121.017 -3.441 18358 641 1 6 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.757 -0.024 18358 642 1 6 . 1 1 11 11 VAL H H 11 7.491 7.491 7.365 0.126 18358 643 1 6 . 1 1 12 12 ALA N N 12 123.018 123.018 119.712 3.306 18358 644 1 6 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.359 -0.228 18358 645 1 6 . 1 1 12 12 ALA H H 12 7.898 7.898 7.812 0.086 18358 646 1 6 . 1 1 13 13 CYS N N 13 113.951 113.951 114.683 -0.732 18358 647 1 6 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.176 0.411 18358 648 1 6 . 1 1 13 13 CYS H H 13 8.394 8.394 8.367 0.027 18358 649 1 6 . 1 1 14 14 ALA N N 14 124.346 124.346 123.006 1.340 18358 650 1 6 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.303 -0.276 18358 651 1 6 . 1 1 14 14 ALA H H 14 7.549 7.549 8.121 -0.572 18358 652 1 6 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.619 -0.416 18358 653 1 6 . 1 1 16 16 ALA N N 16 124.554 124.554 121.309 3.245 18358 654 1 6 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.327 -0.252 18358 655 1 6 . 1 1 16 16 ALA H H 16 8.570 8.570 8.050 0.520 18358 656 1 6 . 1 1 17 17 ILE N N 17 119.462 119.462 116.500 2.962 18358 657 1 6 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.982 -0.566 18358 658 1 6 . 1 1 17 17 ILE H H 17 8.475 8.475 7.943 0.532 18358 659 1 6 . 1 1 18 18 ALA N N 18 121.295 121.295 120.340 0.955 18358 660 1 6 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.515 -0.446 18358 661 1 6 . 1 1 18 18 ALA H H 18 8.288 8.288 7.286 1.002 18358 662 1 6 . 1 1 19 19 GLY N N 19 105.669 105.669 107.279 -1.610 18358 663 1 6 . 1 1 19 19 GLY H H 19 8.399 8.399 7.723 0.676 18358 664 1 6 . 1 1 20 20 ALA N N 20 127.175 127.175 124.636 2.539 18358 665 1 6 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.313 -0.232 18358 666 1 6 . 1 1 20 20 ALA H H 20 7.972 7.972 7.912 0.060 18358 667 1 6 . 1 1 21 21 VAL N N 21 118.978 118.978 119.064 -0.086 18358 668 1 6 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.736 -0.371 18358 669 1 6 . 1 1 21 21 VAL H H 21 8.435 8.435 7.664 0.771 18358 670 1 6 . 1 1 22 22 ALA N N 22 121.005 121.005 121.545 -0.540 18358 671 1 6 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.130 -0.056 18358 672 1 6 . 1 1 22 22 ALA H H 22 7.835 7.835 7.641 0.194 18358 673 1 6 . 1 1 23 23 ALA N N 23 121.200 121.200 119.827 1.373 18358 674 1 6 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.092 -0.029 18358 675 1 6 . 1 1 23 23 ALA H H 23 8.062 8.062 7.800 0.262 18358 676 1 6 . 1 1 24 24 CYS N N 24 114.529 114.529 115.893 -1.364 18358 677 1 6 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.594 -0.106 18358 678 1 6 . 1 1 24 24 CYS H H 24 8.045 8.045 7.756 0.289 18358 679 1 6 . 1 1 25 25 GLY N N 25 109.695 109.695 108.772 0.923 18358 680 1 6 . 1 1 25 25 GLY H H 25 7.916 7.916 7.650 0.266 18358 681 1 6 . 1 1 26 26 GLY N N 26 107.481 107.481 107.455 0.026 18358 682 1 6 . 1 1 26 26 GLY H H 26 8.056 8.056 7.776 0.280 18358 683 1 6 . 1 1 27 27 ILE N N 27 117.952 117.952 120.235 -2.283 18358 684 1 6 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.207 -0.462 18358 685 1 6 . 1 1 27 27 ILE H H 27 8.342 8.342 8.277 0.065 18358 686 1 6 . 1 1 28 28 ASP N N 28 128.285 128.285 127.804 0.481 18358 687 1 6 . 1 1 28 28 ASP H H 28 7.060 7.060 8.524 -1.464 18358 688 1 6 . 1 1 29 29 LEU N N 29 124.546 124.546 117.466 7.080 18358 689 1 6 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.397 -0.395 18358 690 1 6 . 1 1 29 29 LEU H H 29 8.907 8.907 8.238 0.669 18358 691 1 6 . 1 1 31 31 CYS N N 31 117.630 117.630 113.477 4.153 18358 692 1 6 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.539 -0.372 18358 693 1 6 . 1 1 31 31 CYS H H 31 7.340 7.340 8.599 -1.259 18358 694 1 6 . 1 1 32 32 VAL N N 32 124.340 124.340 122.853 1.487 18358 695 1 6 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.889 -0.711 18358 696 1 6 . 1 1 32 32 VAL H H 32 8.718 8.718 7.842 0.876 18358 697 1 6 . 1 1 33 33 LEU N N 33 117.743 117.743 121.916 -4.173 18358 698 1 6 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.892 -0.200 18358 699 1 6 . 1 1 33 33 LEU H H 33 8.512 8.512 8.473 0.039 18358 700 1 6 . 1 1 34 34 ALA N N 34 120.707 120.707 123.181 -2.474 18358 701 1 6 . 1 1 34 34 ALA HA H 34 4.067 4.067 3.980 0.087 18358 702 1 6 . 1 1 34 34 ALA H H 34 7.508 7.508 7.650 -0.142 18358 703 1 6 . 1 1 35 35 ALA N N 35 121.539 121.539 116.921 4.618 18358 704 1 6 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.452 -0.278 18358 705 1 6 . 1 1 35 35 ALA H H 35 7.765 7.765 7.669 0.096 18358 706 1 6 . 1 1 36 36 LEU N N 36 116.961 116.961 119.468 -2.507 18358 707 1 6 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.577 -0.370 18358 708 1 6 . 1 1 36 36 LEU H H 36 8.322 8.322 7.768 0.554 18358 709 1 6 . 1 1 37 37 LYS N N 37 121.909 121.909 120.497 1.412 18358 710 1 6 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.156 -0.168 18358 711 1 6 . 1 1 37 37 LYS H H 37 7.335 7.335 7.777 -0.442 18358 712 1 6 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.555 0.235 18358 713 1 6 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.429 -0.444 18358 714 1 6 . 1 1 45 45 CYS N N 45 118.951 118.951 119.447 -0.496 18358 715 1 6 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.710 -0.369 18358 716 1 6 . 1 1 45 45 CYS H H 45 7.104 7.104 7.897 -0.793 18358 717 1 6 . 1 1 46 46 PHE N N 46 120.196 120.196 121.651 -1.455 18358 718 1 6 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.645 -0.046 18358 719 1 6 . 1 1 46 46 PHE H H 46 7.984 7.984 8.575 -0.591 18358 720 1 6 . 1 1 47 47 CYS N N 47 115.827 115.827 119.920 -4.093 18358 721 1 6 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.891 -0.572 18358 722 1 6 . 1 1 47 47 CYS H H 47 8.773 8.773 8.173 0.600 18358 723 1 6 . 1 1 48 48 GLU N N 48 117.841 117.841 123.243 -5.402 18358 724 1 6 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.268 -0.339 18358 725 1 6 . 1 1 48 48 GLU H H 48 7.775 7.775 7.936 -0.161 18358 726 1 6 . 1 1 49 49 ASP N N 49 116.149 116.149 115.313 0.836 18358 727 1 6 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.669 -0.179 18358 728 1 6 . 1 1 49 49 ASP H H 49 6.791 6.791 8.319 -1.528 18358 729 1 6 . 1 1 50 50 HIS N N 50 121.887 121.887 119.667 2.220 18358 730 1 6 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.879 -0.396 18358 731 1 6 . 1 1 50 50 HIS H H 50 7.016 7.016 8.046 -1.030 18358 732 1 6 . 1 1 51 51 CYS N N 51 118.443 118.443 119.917 -1.474 18358 733 1 6 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.618 -0.128 18358 734 1 6 . 1 1 51 51 CYS H H 51 8.059 8.059 8.444 -0.385 18358 735 1 6 . 1 1 52 52 HIS N N 52 123.835 123.835 121.808 2.027 18358 736 1 6 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.255 0.326 18358 737 1 6 . 1 1 52 52 HIS H H 52 8.294 8.294 8.638 -0.344 18358 738 1 6 . 1 1 54 54 VAL HA H 54 4.013 4.013 4.049 -0.036 18358 739 1 6 . 1 1 55 55 CYS N N 55 116.926 116.926 117.711 -0.785 18358 740 1 6 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.302 -0.073 18358 741 1 6 . 1 1 55 55 CYS H H 55 7.314 7.314 8.244 -0.930 18358 742 1 6 . 1 1 56 56 LYS N N 56 117.865 117.865 119.998 -2.133 18358 743 1 6 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.130 -0.015 18358 744 1 6 . 1 1 56 56 LYS H H 56 6.427 6.427 8.106 -1.679 18358 745 1 6 . 1 1 57 57 ASP N N 57 122.411 122.411 119.248 3.163 18358 746 1 6 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.427 -0.321 18358 747 1 6 . 1 1 57 57 ASP H H 57 8.415 8.415 8.016 0.399 18358 748 1 6 . 1 1 58 58 LEU N N 58 115.608 115.608 117.432 -1.824 18358 749 1 6 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.268 -0.056 18358 750 1 6 . 1 1 58 58 LEU H H 58 7.593 7.593 7.532 0.061 18358 751 1 6 . 1 1 59 59 HIS N N 59 113.919 113.919 116.479 -2.560 18358 752 1 6 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.233 0.083 18358 753 1 6 . 1 1 59 59 HIS H H 59 7.866 7.866 7.814 0.052 18358 754 1 6 . 1 1 60 60 LEU N N 60 116.798 116.798 118.437 -1.639 18358 755 1 6 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.551 -0.260 18358 756 1 6 . 1 1 60 60 LEU H H 60 7.762 7.762 7.780 -0.018 18358 757 1 7 . 1 1 8 8 LEU N N 8 117.542 117.542 119.982 -2.440 18358 758 1 7 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.180 -0.059 18358 759 1 7 . 1 1 8 8 LEU H H 8 7.735 7.735 7.760 -0.025 18358 760 1 7 . 1 1 9 9 LYS N N 9 123.335 123.335 115.472 7.863 18358 761 1 7 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.269 -0.191 18358 762 1 7 . 1 1 9 9 LYS H H 9 7.831 7.831 8.315 -0.484 18358 763 1 7 . 1 1 10 10 LYS N N 10 121.522 121.522 120.967 0.555 18358 764 1 7 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.303 -0.646 18358 765 1 7 . 1 1 10 10 LYS H H 10 8.627 8.627 7.378 1.249 18358 766 1 7 . 1 1 11 11 VAL N N 11 117.576 117.576 118.466 -0.890 18358 767 1 7 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.783 -0.050 18358 768 1 7 . 1 1 11 11 VAL H H 11 7.491 7.491 7.716 -0.225 18358 769 1 7 . 1 1 12 12 ALA N N 12 123.018 123.018 118.913 4.105 18358 770 1 7 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.945 0.186 18358 771 1 7 . 1 1 12 12 ALA H H 12 7.898 7.898 7.764 0.134 18358 772 1 7 . 1 1 13 13 CYS N N 13 113.951 113.951 111.093 2.858 18358 773 1 7 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.986 0.601 18358 774 1 7 . 1 1 13 13 CYS H H 13 8.394 8.394 8.709 -0.315 18358 775 1 7 . 1 1 14 14 ALA N N 14 124.346 124.346 126.081 -1.735 18358 776 1 7 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.860 0.167 18358 777 1 7 . 1 1 14 14 ALA H H 14 7.549 7.549 7.934 -0.385 18358 778 1 7 . 1 1 15 15 ALA HA H 15 4.203 4.203 3.939 0.264 18358 779 1 7 . 1 1 16 16 ALA N N 16 124.554 124.554 119.656 4.898 18358 780 1 7 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.166 -0.091 18358 781 1 7 . 1 1 16 16 ALA H H 16 8.570 8.570 7.913 0.657 18358 782 1 7 . 1 1 17 17 ILE N N 17 119.462 119.462 118.852 0.610 18358 783 1 7 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.739 -0.323 18358 784 1 7 . 1 1 17 17 ILE H H 17 8.475 8.475 7.854 0.621 18358 785 1 7 . 1 1 18 18 ALA N N 18 121.295 121.295 121.524 -0.229 18358 786 1 7 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.065 0.004 18358 787 1 7 . 1 1 18 18 ALA H H 18 8.288 8.288 8.655 -0.367 18358 788 1 7 . 1 1 19 19 GLY N N 19 105.669 105.669 103.744 1.925 18358 789 1 7 . 1 1 19 19 GLY H H 19 8.399 8.399 7.793 0.606 18358 790 1 7 . 1 1 20 20 ALA N N 20 127.175 127.175 123.959 3.216 18358 791 1 7 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.376 -0.295 18358 792 1 7 . 1 1 20 20 ALA H H 20 7.972 7.972 7.347 0.625 18358 793 1 7 . 1 1 21 21 VAL N N 21 118.978 118.978 120.116 -1.138 18358 794 1 7 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.773 -0.408 18358 795 1 7 . 1 1 21 21 VAL H H 21 8.435 8.435 7.393 1.042 18358 796 1 7 . 1 1 22 22 ALA N N 22 121.005 121.005 121.468 -0.463 18358 797 1 7 . 1 1 22 22 ALA HA H 22 4.074 4.074 3.997 0.077 18358 798 1 7 . 1 1 22 22 ALA H H 22 7.835 7.835 7.678 0.157 18358 799 1 7 . 1 1 23 23 ALA N N 23 121.200 121.200 119.691 1.509 18358 800 1 7 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.073 -0.010 18358 801 1 7 . 1 1 23 23 ALA H H 23 8.062 8.062 7.780 0.282 18358 802 1 7 . 1 1 24 24 CYS N N 24 114.529 114.529 116.611 -2.082 18358 803 1 7 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.520 -0.032 18358 804 1 7 . 1 1 24 24 CYS H H 24 8.045 8.045 7.800 0.245 18358 805 1 7 . 1 1 25 25 GLY N N 25 109.695 109.695 108.712 0.983 18358 806 1 7 . 1 1 25 25 GLY H H 25 7.916 7.916 7.540 0.376 18358 807 1 7 . 1 1 26 26 GLY N N 26 107.481 107.481 107.443 0.038 18358 808 1 7 . 1 1 26 26 GLY H H 26 8.056 8.056 8.054 0.002 18358 809 1 7 . 1 1 27 27 ILE N N 27 117.952 117.952 119.712 -1.760 18358 810 1 7 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.380 -0.635 18358 811 1 7 . 1 1 27 27 ILE H H 27 8.342 8.342 8.351 -0.009 18358 812 1 7 . 1 1 28 28 ASP N N 28 128.285 128.285 124.132 4.153 18358 813 1 7 . 1 1 28 28 ASP H H 28 7.060 7.060 8.452 -1.392 18358 814 1 7 . 1 1 29 29 LEU N N 29 124.546 124.546 118.084 6.462 18358 815 1 7 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.925 -0.923 18358 816 1 7 . 1 1 29 29 LEU H H 29 8.907 8.907 8.382 0.525 18358 817 1 7 . 1 1 31 31 CYS N N 31 117.630 117.630 116.359 1.271 18358 818 1 7 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.438 -0.271 18358 819 1 7 . 1 1 31 31 CYS H H 31 7.340 7.340 8.172 -0.832 18358 820 1 7 . 1 1 32 32 VAL N N 32 124.340 124.340 120.116 4.224 18358 821 1 7 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.744 -0.566 18358 822 1 7 . 1 1 32 32 VAL H H 32 8.718 8.718 7.581 1.137 18358 823 1 7 . 1 1 33 33 LEU N N 33 117.743 117.743 121.347 -3.604 18358 824 1 7 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.883 -0.191 18358 825 1 7 . 1 1 33 33 LEU H H 33 8.512 8.512 8.797 -0.285 18358 826 1 7 . 1 1 34 34 ALA N N 34 120.707 120.707 121.007 -0.300 18358 827 1 7 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.010 0.057 18358 828 1 7 . 1 1 34 34 ALA H H 34 7.508 7.508 8.163 -0.655 18358 829 1 7 . 1 1 35 35 ALA N N 35 121.539 121.539 120.892 0.647 18358 830 1 7 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.158 0.016 18358 831 1 7 . 1 1 35 35 ALA H H 35 7.765 7.765 7.523 0.242 18358 832 1 7 . 1 1 36 36 LEU N N 36 116.961 116.961 117.817 -0.856 18358 833 1 7 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.389 -0.182 18358 834 1 7 . 1 1 36 36 LEU H H 36 8.322 8.322 7.568 0.754 18358 835 1 7 . 1 1 37 37 LYS N N 37 121.909 121.909 119.436 2.473 18358 836 1 7 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.134 -0.146 18358 837 1 7 . 1 1 37 37 LYS H H 37 7.335 7.335 7.144 0.191 18358 838 1 7 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.822 -0.032 18358 839 1 7 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.463 -0.478 18358 840 1 7 . 1 1 45 45 CYS N N 45 118.951 118.951 119.963 -1.012 18358 841 1 7 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.251 0.090 18358 842 1 7 . 1 1 45 45 CYS H H 45 7.104 7.104 8.125 -1.021 18358 843 1 7 . 1 1 46 46 PHE N N 46 120.196 120.196 122.528 -2.332 18358 844 1 7 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.392 0.207 18358 845 1 7 . 1 1 46 46 PHE H H 46 7.984 7.984 7.716 0.268 18358 846 1 7 . 1 1 47 47 CYS N N 47 115.827 115.827 115.274 0.553 18358 847 1 7 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.624 -0.305 18358 848 1 7 . 1 1 47 47 CYS H H 47 8.773 8.773 8.100 0.673 18358 849 1 7 . 1 1 48 48 GLU N N 48 117.841 117.841 123.906 -6.065 18358 850 1 7 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.036 -0.107 18358 851 1 7 . 1 1 48 48 GLU H H 48 7.775 7.775 7.927 -0.152 18358 852 1 7 . 1 1 49 49 ASP N N 49 116.149 116.149 116.754 -0.605 18358 853 1 7 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.506 -0.016 18358 854 1 7 . 1 1 49 49 ASP H H 49 6.791 6.791 8.311 -1.520 18358 855 1 7 . 1 1 50 50 HIS N N 50 121.887 121.887 118.784 3.103 18358 856 1 7 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.671 -0.188 18358 857 1 7 . 1 1 50 50 HIS H H 50 7.016 7.016 7.436 -0.420 18358 858 1 7 . 1 1 51 51 CYS N N 51 118.443 118.443 122.958 -4.515 18358 859 1 7 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.652 -0.162 18358 860 1 7 . 1 1 51 51 CYS H H 51 8.059 8.059 8.656 -0.597 18358 861 1 7 . 1 1 52 52 HIS N N 52 123.835 123.835 121.298 2.537 18358 862 1 7 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.715 -0.134 18358 863 1 7 . 1 1 52 52 HIS H H 52 8.294 8.294 7.639 0.655 18358 864 1 7 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.800 0.213 18358 865 1 7 . 1 1 55 55 CYS N N 55 116.926 116.926 118.698 -1.772 18358 866 1 7 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.248 -0.019 18358 867 1 7 . 1 1 55 55 CYS H H 55 7.314 7.314 8.647 -1.333 18358 868 1 7 . 1 1 56 56 LYS N N 56 117.865 117.865 118.750 -0.885 18358 869 1 7 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.012 0.103 18358 870 1 7 . 1 1 56 56 LYS H H 56 6.427 6.427 8.053 -1.626 18358 871 1 7 . 1 1 57 57 ASP N N 57 122.411 122.411 120.076 2.335 18358 872 1 7 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.450 -0.344 18358 873 1 7 . 1 1 57 57 ASP H H 57 8.415 8.415 7.671 0.744 18358 874 1 7 . 1 1 58 58 LEU N N 58 115.608 115.608 117.598 -1.990 18358 875 1 7 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.393 -0.181 18358 876 1 7 . 1 1 58 58 LEU H H 58 7.593 7.593 7.417 0.176 18358 877 1 7 . 1 1 59 59 HIS N N 59 113.919 113.919 116.328 -2.409 18358 878 1 7 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.318 -0.002 18358 879 1 7 . 1 1 59 59 HIS H H 59 7.866 7.866 7.788 0.078 18358 880 1 7 . 1 1 60 60 LEU N N 60 116.798 116.798 117.287 -0.489 18358 881 1 7 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.406 -0.115 18358 882 1 7 . 1 1 60 60 LEU H H 60 7.762 7.762 7.966 -0.204 18358 883 1 8 . 1 1 8 8 LEU N N 8 117.542 117.542 119.936 -2.394 18358 884 1 8 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.369 -0.248 18358 885 1 8 . 1 1 8 8 LEU H H 8 7.735 7.735 8.083 -0.348 18358 886 1 8 . 1 1 9 9 LYS N N 9 123.335 123.335 117.922 5.413 18358 887 1 8 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.294 -0.216 18358 888 1 8 . 1 1 9 9 LYS H H 9 7.831 7.831 7.474 0.357 18358 889 1 8 . 1 1 10 10 LYS N N 10 121.522 121.522 120.494 1.028 18358 890 1 8 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.143 -0.486 18358 891 1 8 . 1 1 10 10 LYS H H 10 8.627 8.627 7.466 1.161 18358 892 1 8 . 1 1 11 11 VAL N N 11 117.576 117.576 119.371 -1.795 18358 893 1 8 . 1 1 11 11 VAL HA H 11 3.733 3.733 4.170 -0.437 18358 894 1 8 . 1 1 11 11 VAL H H 11 7.491 7.491 7.566 -0.075 18358 895 1 8 . 1 1 12 12 ALA N N 12 123.018 123.018 122.482 0.536 18358 896 1 8 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.994 0.137 18358 897 1 8 . 1 1 12 12 ALA H H 12 7.898 7.898 7.957 -0.059 18358 898 1 8 . 1 1 13 13 CYS N N 13 113.951 113.951 108.412 5.539 18358 899 1 8 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.984 0.603 18358 900 1 8 . 1 1 13 13 CYS H H 13 8.394 8.394 8.150 0.244 18358 901 1 8 . 1 1 14 14 ALA N N 14 124.346 124.346 124.327 0.019 18358 902 1 8 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.050 -0.023 18358 903 1 8 . 1 1 14 14 ALA H H 14 7.549 7.549 7.699 -0.150 18358 904 1 8 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.238 -0.035 18358 905 1 8 . 1 1 16 16 ALA N N 16 124.554 124.554 120.027 4.527 18358 906 1 8 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.361 -0.286 18358 907 1 8 . 1 1 16 16 ALA H H 16 8.570 8.570 7.291 1.279 18358 908 1 8 . 1 1 17 17 ILE N N 17 119.462 119.462 119.741 -0.279 18358 909 1 8 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.885 -0.469 18358 910 1 8 . 1 1 17 17 ILE H H 17 8.475 8.475 8.453 0.022 18358 911 1 8 . 1 1 18 18 ALA N N 18 121.295 121.295 122.116 -0.821 18358 912 1 8 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.115 -0.046 18358 913 1 8 . 1 1 18 18 ALA H H 18 8.288 8.288 7.721 0.567 18358 914 1 8 . 1 1 19 19 GLY N N 19 105.669 105.669 104.731 0.938 18358 915 1 8 . 1 1 19 19 GLY H H 19 8.399 8.399 7.948 0.451 18358 916 1 8 . 1 1 20 20 ALA N N 20 127.175 127.175 124.193 2.982 18358 917 1 8 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.322 -0.241 18358 918 1 8 . 1 1 20 20 ALA H H 20 7.972 7.972 7.209 0.763 18358 919 1 8 . 1 1 21 21 VAL N N 21 118.978 118.978 120.113 -1.135 18358 920 1 8 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.844 -0.479 18358 921 1 8 . 1 1 21 21 VAL H H 21 8.435 8.435 7.551 0.884 18358 922 1 8 . 1 1 22 22 ALA N N 22 121.005 121.005 121.022 -0.017 18358 923 1 8 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.020 0.054 18358 924 1 8 . 1 1 22 22 ALA H H 22 7.835 7.835 7.516 0.319 18358 925 1 8 . 1 1 23 23 ALA N N 23 121.200 121.200 120.859 0.341 18358 926 1 8 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.076 -0.013 18358 927 1 8 . 1 1 23 23 ALA H H 23 8.062 8.062 7.630 0.432 18358 928 1 8 . 1 1 24 24 CYS N N 24 114.529 114.529 115.850 -1.321 18358 929 1 8 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.407 0.081 18358 930 1 8 . 1 1 24 24 CYS H H 24 8.045 8.045 8.012 0.033 18358 931 1 8 . 1 1 25 25 GLY N N 25 109.695 109.695 108.834 0.861 18358 932 1 8 . 1 1 25 25 GLY H H 25 7.916 7.916 8.259 -0.343 18358 933 1 8 . 1 1 26 26 GLY N N 26 107.481 107.481 107.718 -0.237 18358 934 1 8 . 1 1 26 26 GLY H H 26 8.056 8.056 7.851 0.205 18358 935 1 8 . 1 1 27 27 ILE N N 27 117.952 117.952 119.061 -1.109 18358 936 1 8 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.511 -0.766 18358 937 1 8 . 1 1 27 27 ILE H H 27 8.342 8.342 8.408 -0.066 18358 938 1 8 . 1 1 28 28 ASP N N 28 128.285 128.285 126.098 2.187 18358 939 1 8 . 1 1 28 28 ASP H H 28 7.060 7.060 8.889 -1.829 18358 940 1 8 . 1 1 29 29 LEU N N 29 124.546 124.546 117.235 7.311 18358 941 1 8 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.638 -0.636 18358 942 1 8 . 1 1 29 29 LEU H H 29 8.907 8.907 8.249 0.658 18358 943 1 8 . 1 1 31 31 CYS N N 31 117.630 117.630 115.122 2.508 18358 944 1 8 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.494 -0.327 18358 945 1 8 . 1 1 31 31 CYS H H 31 7.340 7.340 8.387 -1.047 18358 946 1 8 . 1 1 32 32 VAL N N 32 124.340 124.340 120.582 3.758 18358 947 1 8 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.736 -0.558 18358 948 1 8 . 1 1 32 32 VAL H H 32 8.718 8.718 7.868 0.850 18358 949 1 8 . 1 1 33 33 LEU N N 33 117.743 117.743 120.444 -2.701 18358 950 1 8 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.889 -0.197 18358 951 1 8 . 1 1 33 33 LEU H H 33 8.512 8.512 8.599 -0.087 18358 952 1 8 . 1 1 34 34 ALA N N 34 120.707 120.707 121.649 -0.942 18358 953 1 8 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.019 0.048 18358 954 1 8 . 1 1 34 34 ALA H H 34 7.508 7.508 7.411 0.097 18358 955 1 8 . 1 1 35 35 ALA N N 35 121.539 121.539 119.209 2.330 18358 956 1 8 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.206 -0.032 18358 957 1 8 . 1 1 35 35 ALA H H 35 7.765 7.765 7.674 0.091 18358 958 1 8 . 1 1 36 36 LEU N N 36 116.961 116.961 117.637 -0.676 18358 959 1 8 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.267 -0.060 18358 960 1 8 . 1 1 36 36 LEU H H 36 8.322 8.322 7.080 1.242 18358 961 1 8 . 1 1 37 37 LYS N N 37 121.909 121.909 113.548 8.361 18358 962 1 8 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.263 -0.275 18358 963 1 8 . 1 1 37 37 LYS H H 37 7.335 7.335 7.841 -0.506 18358 964 1 8 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.103 0.687 18358 965 1 8 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.328 -0.343 18358 966 1 8 . 1 1 45 45 CYS N N 45 118.951 118.951 119.653 -0.702 18358 967 1 8 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.495 -0.154 18358 968 1 8 . 1 1 45 45 CYS H H 45 7.104 7.104 8.125 -1.021 18358 969 1 8 . 1 1 46 46 PHE N N 46 120.196 120.196 119.007 1.189 18358 970 1 8 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.630 -0.031 18358 971 1 8 . 1 1 46 46 PHE H H 46 7.984 7.984 7.613 0.371 18358 972 1 8 . 1 1 47 47 CYS N N 47 115.827 115.827 119.679 -3.852 18358 973 1 8 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.466 -0.147 18358 974 1 8 . 1 1 47 47 CYS H H 47 8.773 8.773 8.143 0.630 18358 975 1 8 . 1 1 48 48 GLU N N 48 117.841 117.841 120.224 -2.383 18358 976 1 8 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.098 -0.169 18358 977 1 8 . 1 1 48 48 GLU H H 48 7.775 7.775 7.950 -0.175 18358 978 1 8 . 1 1 49 49 ASP N N 49 116.149 116.149 117.231 -1.082 18358 979 1 8 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.446 0.044 18358 980 1 8 . 1 1 49 49 ASP H H 49 6.791 6.791 8.248 -1.457 18358 981 1 8 . 1 1 50 50 HIS N N 50 121.887 121.887 114.103 7.784 18358 982 1 8 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.811 -0.328 18358 983 1 8 . 1 1 50 50 HIS H H 50 7.016 7.016 7.938 -0.922 18358 984 1 8 . 1 1 51 51 CYS N N 51 118.443 118.443 125.654 -7.211 18358 985 1 8 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.774 -0.284 18358 986 1 8 . 1 1 51 51 CYS H H 51 8.059 8.059 9.002 -0.943 18358 987 1 8 . 1 1 52 52 HIS N N 52 123.835 123.835 122.490 1.345 18358 988 1 8 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.663 -0.082 18358 989 1 8 . 1 1 52 52 HIS H H 52 8.294 8.294 8.450 -0.156 18358 990 1 8 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.769 0.244 18358 991 1 8 . 1 1 55 55 CYS N N 55 116.926 116.926 116.318 0.608 18358 992 1 8 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.333 -0.104 18358 993 1 8 . 1 1 55 55 CYS H H 55 7.314 7.314 8.278 -0.964 18358 994 1 8 . 1 1 56 56 LYS N N 56 117.865 117.865 117.530 0.335 18358 995 1 8 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.236 -0.121 18358 996 1 8 . 1 1 56 56 LYS H H 56 6.427 6.427 7.613 -1.186 18358 997 1 8 . 1 1 57 57 ASP N N 57 122.411 122.411 121.937 0.474 18358 998 1 8 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.422 -0.316 18358 999 1 8 . 1 1 57 57 ASP H H 57 8.415 8.415 7.538 0.877 18358 1000 1 8 . 1 1 58 58 LEU N N 58 115.608 115.608 126.005 -10.397 18358 1001 1 8 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.063 0.149 18358 1002 1 8 . 1 1 58 58 LEU H H 58 7.593 7.593 8.651 -1.058 18358 1003 1 8 . 1 1 59 59 HIS N N 59 113.919 113.919 116.863 -2.944 18358 1004 1 8 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.525 -0.209 18358 1005 1 8 . 1 1 59 59 HIS H H 59 7.866 7.866 7.761 0.105 18358 1006 1 8 . 1 1 60 60 LEU N N 60 116.798 116.798 125.190 -8.392 18358 1007 1 8 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.589 -0.298 18358 1008 1 8 . 1 1 60 60 LEU H H 60 7.762 7.762 8.233 -0.471 18358 1009 1 9 . 1 1 8 8 LEU N N 8 117.542 117.542 120.062 -2.520 18358 1010 1 9 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.511 -0.391 18358 1011 1 9 . 1 1 8 8 LEU H H 8 7.735 7.735 7.719 0.016 18358 1012 1 9 . 1 1 9 9 LYS N N 9 123.335 123.335 119.685 3.650 18358 1013 1 9 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.332 -0.254 18358 1014 1 9 . 1 1 9 9 LYS H H 9 7.831 7.831 7.716 0.115 18358 1015 1 9 . 1 1 10 10 LYS N N 10 121.522 121.522 118.692 2.830 18358 1016 1 9 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.088 -0.431 18358 1017 1 9 . 1 1 10 10 LYS H H 10 8.627 8.627 8.265 0.362 18358 1018 1 9 . 1 1 11 11 VAL N N 11 117.576 117.576 119.239 -1.663 18358 1019 1 9 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.970 -0.237 18358 1020 1 9 . 1 1 11 11 VAL H H 11 7.491 7.491 7.647 -0.156 18358 1021 1 9 . 1 1 12 12 ALA N N 12 123.018 123.018 121.074 1.944 18358 1022 1 9 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.920 0.211 18358 1023 1 9 . 1 1 12 12 ALA H H 12 7.898 7.898 7.781 0.117 18358 1024 1 9 . 1 1 13 13 CYS N N 13 113.951 113.951 109.779 4.172 18358 1025 1 9 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.861 0.726 18358 1026 1 9 . 1 1 13 13 CYS H H 13 8.394 8.394 8.384 0.010 18358 1027 1 9 . 1 1 14 14 ALA N N 14 124.346 124.346 122.261 2.085 18358 1028 1 9 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.190 -0.163 18358 1029 1 9 . 1 1 14 14 ALA H H 14 7.549 7.549 7.687 -0.138 18358 1030 1 9 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.226 -0.023 18358 1031 1 9 . 1 1 16 16 ALA N N 16 124.554 124.554 121.591 2.963 18358 1032 1 9 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.546 -0.471 18358 1033 1 9 . 1 1 16 16 ALA H H 16 8.570 8.570 7.525 1.045 18358 1034 1 9 . 1 1 17 17 ILE N N 17 119.462 119.462 119.890 -0.428 18358 1035 1 9 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.593 -0.177 18358 1036 1 9 . 1 1 17 17 ILE H H 17 8.475 8.475 7.546 0.929 18358 1037 1 9 . 1 1 18 18 ALA N N 18 121.295 121.295 118.215 3.080 18358 1038 1 9 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.510 -0.441 18358 1039 1 9 . 1 1 18 18 ALA H H 18 8.288 8.288 7.395 0.893 18358 1040 1 9 . 1 1 19 19 GLY N N 19 105.669 105.669 106.859 -1.190 18358 1041 1 9 . 1 1 19 19 GLY H H 19 8.399 8.399 7.359 1.040 18358 1042 1 9 . 1 1 20 20 ALA N N 20 127.175 127.175 124.178 2.997 18358 1043 1 9 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.664 -0.583 18358 1044 1 9 . 1 1 20 20 ALA H H 20 7.972 7.972 7.876 0.096 18358 1045 1 9 . 1 1 21 21 VAL N N 21 118.978 118.978 120.629 -1.651 18358 1046 1 9 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.816 -0.451 18358 1047 1 9 . 1 1 21 21 VAL H H 21 8.435 8.435 7.932 0.503 18358 1048 1 9 . 1 1 22 22 ALA N N 22 121.005 121.005 121.705 -0.700 18358 1049 1 9 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.066 0.008 18358 1050 1 9 . 1 1 22 22 ALA H H 22 7.835 7.835 8.125 -0.290 18358 1051 1 9 . 1 1 23 23 ALA N N 23 121.200 121.200 119.545 1.655 18358 1052 1 9 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.120 -0.057 18358 1053 1 9 . 1 1 23 23 ALA H H 23 8.062 8.062 7.990 0.072 18358 1054 1 9 . 1 1 24 24 CYS N N 24 114.529 114.529 116.435 -1.906 18358 1055 1 9 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.575 -0.087 18358 1056 1 9 . 1 1 24 24 CYS H H 24 8.045 8.045 7.846 0.199 18358 1057 1 9 . 1 1 25 25 GLY N N 25 109.695 109.695 110.159 -0.464 18358 1058 1 9 . 1 1 25 25 GLY H H 25 7.916 7.916 7.255 0.661 18358 1059 1 9 . 1 1 26 26 GLY N N 26 107.481 107.481 107.579 -0.098 18358 1060 1 9 . 1 1 26 26 GLY H H 26 8.056 8.056 8.013 0.043 18358 1061 1 9 . 1 1 27 27 ILE N N 27 117.952 117.952 121.156 -3.204 18358 1062 1 9 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.444 -0.699 18358 1063 1 9 . 1 1 27 27 ILE H H 27 8.342 8.342 8.458 -0.116 18358 1064 1 9 . 1 1 28 28 ASP N N 28 128.285 128.285 125.905 2.380 18358 1065 1 9 . 1 1 28 28 ASP H H 28 7.060 7.060 8.733 -1.673 18358 1066 1 9 . 1 1 29 29 LEU N N 29 124.546 124.546 118.116 6.430 18358 1067 1 9 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.459 -0.457 18358 1068 1 9 . 1 1 29 29 LEU H H 29 8.907 8.907 8.067 0.840 18358 1069 1 9 . 1 1 31 31 CYS N N 31 117.630 117.630 116.014 1.616 18358 1070 1 9 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.600 -0.433 18358 1071 1 9 . 1 1 31 31 CYS H H 31 7.340 7.340 8.143 -0.803 18358 1072 1 9 . 1 1 32 32 VAL N N 32 124.340 124.340 122.067 2.273 18358 1073 1 9 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.900 -0.722 18358 1074 1 9 . 1 1 32 32 VAL H H 32 8.718 8.718 8.138 0.580 18358 1075 1 9 . 1 1 33 33 LEU N N 33 117.743 117.743 122.329 -4.586 18358 1076 1 9 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.981 -0.289 18358 1077 1 9 . 1 1 33 33 LEU H H 33 8.512 8.512 7.966 0.546 18358 1078 1 9 . 1 1 34 34 ALA N N 34 120.707 120.707 121.793 -1.086 18358 1079 1 9 . 1 1 34 34 ALA HA H 34 4.067 4.067 3.965 0.102 18358 1080 1 9 . 1 1 34 34 ALA H H 34 7.508 7.508 7.564 -0.056 18358 1081 1 9 . 1 1 35 35 ALA N N 35 121.539 121.539 117.672 3.867 18358 1082 1 9 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.629 -0.455 18358 1083 1 9 . 1 1 35 35 ALA H H 35 7.765 7.765 7.622 0.143 18358 1084 1 9 . 1 1 36 36 LEU N N 36 116.961 116.961 119.594 -2.633 18358 1085 1 9 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.542 -0.335 18358 1086 1 9 . 1 1 36 36 LEU H H 36 8.322 8.322 8.075 0.247 18358 1087 1 9 . 1 1 37 37 LYS N N 37 121.909 121.909 120.448 1.461 18358 1088 1 9 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.008 -0.020 18358 1089 1 9 . 1 1 37 37 LYS H H 37 7.335 7.335 8.549 -1.214 18358 1090 1 9 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.304 0.486 18358 1091 1 9 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.460 -0.475 18358 1092 1 9 . 1 1 45 45 CYS N N 45 118.951 118.951 120.662 -1.711 18358 1093 1 9 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.547 -0.206 18358 1094 1 9 . 1 1 45 45 CYS H H 45 7.104 7.104 7.822 -0.718 18358 1095 1 9 . 1 1 46 46 PHE N N 46 120.196 120.196 118.758 1.438 18358 1096 1 9 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.621 -0.022 18358 1097 1 9 . 1 1 46 46 PHE H H 46 7.984 7.984 8.027 -0.043 18358 1098 1 9 . 1 1 47 47 CYS N N 47 115.827 115.827 116.796 -0.969 18358 1099 1 9 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.460 -0.141 18358 1100 1 9 . 1 1 47 47 CYS H H 47 8.773 8.773 8.867 -0.094 18358 1101 1 9 . 1 1 48 48 GLU N N 48 117.841 117.841 120.435 -2.594 18358 1102 1 9 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.026 -0.097 18358 1103 1 9 . 1 1 48 48 GLU H H 48 7.775 7.775 8.082 -0.307 18358 1104 1 9 . 1 1 49 49 ASP N N 49 116.149 116.149 117.961 -1.812 18358 1105 1 9 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.407 0.083 18358 1106 1 9 . 1 1 49 49 ASP H H 49 6.791 6.791 8.287 -1.496 18358 1107 1 9 . 1 1 50 50 HIS N N 50 121.887 121.887 114.427 7.460 18358 1108 1 9 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.691 -0.208 18358 1109 1 9 . 1 1 50 50 HIS H H 50 7.016 7.016 7.254 -0.238 18358 1110 1 9 . 1 1 51 51 CYS N N 51 118.443 118.443 123.216 -4.773 18358 1111 1 9 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.695 -0.205 18358 1112 1 9 . 1 1 51 51 CYS H H 51 8.059 8.059 7.788 0.271 18358 1113 1 9 . 1 1 52 52 HIS N N 52 123.835 123.835 121.871 1.964 18358 1114 1 9 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.591 -0.010 18358 1115 1 9 . 1 1 52 52 HIS H H 52 8.294 8.294 7.950 0.344 18358 1116 1 9 . 1 1 54 54 VAL HA H 54 4.013 4.013 4.052 -0.039 18358 1117 1 9 . 1 1 55 55 CYS N N 55 116.926 116.926 116.033 0.893 18358 1118 1 9 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.235 -0.006 18358 1119 1 9 . 1 1 55 55 CYS H H 55 7.314 7.314 8.050 -0.736 18358 1120 1 9 . 1 1 56 56 LYS N N 56 117.865 117.865 120.579 -2.714 18358 1121 1 9 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.020 0.095 18358 1122 1 9 . 1 1 56 56 LYS H H 56 6.427 6.427 7.719 -1.292 18358 1123 1 9 . 1 1 57 57 ASP N N 57 122.411 122.411 119.153 3.258 18358 1124 1 9 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.477 -0.371 18358 1125 1 9 . 1 1 57 57 ASP H H 57 8.415 8.415 8.045 0.370 18358 1126 1 9 . 1 1 58 58 LEU N N 58 115.608 115.608 117.839 -2.231 18358 1127 1 9 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.357 -0.145 18358 1128 1 9 . 1 1 58 58 LEU H H 58 7.593 7.593 7.466 0.127 18358 1129 1 9 . 1 1 59 59 HIS N N 59 113.919 113.919 117.736 -3.817 18358 1130 1 9 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.402 -0.086 18358 1131 1 9 . 1 1 59 59 HIS H H 59 7.866 7.866 7.637 0.229 18358 1132 1 9 . 1 1 60 60 LEU N N 60 116.798 116.798 123.347 -6.549 18358 1133 1 9 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.704 -0.413 18358 1134 1 9 . 1 1 60 60 LEU H H 60 7.762 7.762 8.416 -0.654 18358 1135 1 10 . 1 1 8 8 LEU N N 8 117.542 117.542 118.885 -1.343 18358 1136 1 10 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.339 -0.218 18358 1137 1 10 . 1 1 8 8 LEU H H 8 7.735 7.735 7.906 -0.171 18358 1138 1 10 . 1 1 9 9 LYS N N 9 123.335 123.335 119.959 3.376 18358 1139 1 10 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.278 -0.200 18358 1140 1 10 . 1 1 9 9 LYS H H 9 7.831 7.831 8.435 -0.604 18358 1141 1 10 . 1 1 10 10 LYS N N 10 121.522 121.522 119.915 1.607 18358 1142 1 10 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.369 -0.712 18358 1143 1 10 . 1 1 10 10 LYS H H 10 8.627 8.627 7.831 0.796 18358 1144 1 10 . 1 1 11 11 VAL N N 11 117.576 117.576 117.825 -0.249 18358 1145 1 10 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.667 0.066 18358 1146 1 10 . 1 1 11 11 VAL H H 11 7.491 7.491 8.276 -0.785 18358 1147 1 10 . 1 1 12 12 ALA N N 12 123.018 123.018 119.648 3.370 18358 1148 1 10 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.038 0.093 18358 1149 1 10 . 1 1 12 12 ALA H H 12 7.898 7.898 8.284 -0.386 18358 1150 1 10 . 1 1 13 13 CYS N N 13 113.951 113.951 110.251 3.700 18358 1151 1 10 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.963 0.624 18358 1152 1 10 . 1 1 13 13 CYS H H 13 8.394 8.394 8.062 0.332 18358 1153 1 10 . 1 1 14 14 ALA N N 14 124.346 124.346 121.205 3.141 18358 1154 1 10 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.485 -0.458 18358 1155 1 10 . 1 1 14 14 ALA H H 14 7.549 7.549 7.964 -0.415 18358 1156 1 10 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.363 -0.160 18358 1157 1 10 . 1 1 16 16 ALA N N 16 124.554 124.554 119.300 5.254 18358 1158 1 10 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.340 -0.265 18358 1159 1 10 . 1 1 16 16 ALA H H 16 8.570 8.570 8.394 0.176 18358 1160 1 10 . 1 1 17 17 ILE N N 17 119.462 119.462 117.430 2.032 18358 1161 1 10 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.923 -0.507 18358 1162 1 10 . 1 1 17 17 ILE H H 17 8.475 8.475 7.519 0.956 18358 1163 1 10 . 1 1 18 18 ALA N N 18 121.295 121.295 122.148 -0.853 18358 1164 1 10 . 1 1 18 18 ALA HA H 18 4.069 4.069 3.968 0.101 18358 1165 1 10 . 1 1 18 18 ALA H H 18 8.288 8.288 7.680 0.608 18358 1166 1 10 . 1 1 19 19 GLY N N 19 105.669 105.669 105.361 0.308 18358 1167 1 10 . 1 1 19 19 GLY H H 19 8.399 8.399 7.856 0.543 18358 1168 1 10 . 1 1 20 20 ALA N N 20 127.175 127.175 123.828 3.347 18358 1169 1 10 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.287 -0.206 18358 1170 1 10 . 1 1 20 20 ALA H H 20 7.972 7.972 7.845 0.127 18358 1171 1 10 . 1 1 21 21 VAL N N 21 118.978 118.978 118.945 0.033 18358 1172 1 10 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.648 -0.283 18358 1173 1 10 . 1 1 21 21 VAL H H 21 8.435 8.435 8.326 0.109 18358 1174 1 10 . 1 1 22 22 ALA N N 22 121.005 121.005 120.895 0.110 18358 1175 1 10 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.105 -0.031 18358 1176 1 10 . 1 1 22 22 ALA H H 22 7.835 7.835 7.526 0.309 18358 1177 1 10 . 1 1 23 23 ALA N N 23 121.200 121.200 119.360 1.840 18358 1178 1 10 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.118 -0.055 18358 1179 1 10 . 1 1 23 23 ALA H H 23 8.062 8.062 7.784 0.278 18358 1180 1 10 . 1 1 24 24 CYS N N 24 114.529 114.529 116.725 -2.196 18358 1181 1 10 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.457 0.031 18358 1182 1 10 . 1 1 24 24 CYS H H 24 8.045 8.045 7.557 0.488 18358 1183 1 10 . 1 1 25 25 GLY N N 25 109.695 109.695 107.592 2.103 18358 1184 1 10 . 1 1 25 25 GLY H H 25 7.916 7.916 7.615 0.301 18358 1185 1 10 . 1 1 26 26 GLY N N 26 107.481 107.481 109.012 -1.531 18358 1186 1 10 . 1 1 26 26 GLY H H 26 8.056 8.056 7.742 0.314 18358 1187 1 10 . 1 1 27 27 ILE N N 27 117.952 117.952 122.809 -4.857 18358 1188 1 10 . 1 1 27 27 ILE HA H 27 3.745 3.745 3.774 -0.029 18358 1189 1 10 . 1 1 27 27 ILE H H 27 8.342 8.342 8.381 -0.039 18358 1190 1 10 . 1 1 28 28 ASP N N 28 128.285 128.285 127.128 1.157 18358 1191 1 10 . 1 1 28 28 ASP H H 28 7.060 7.060 8.099 -1.039 18358 1192 1 10 . 1 1 29 29 LEU N N 29 124.546 124.546 124.437 0.109 18358 1193 1 10 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.698 -0.696 18358 1194 1 10 . 1 1 29 29 LEU H H 29 8.907 8.907 8.405 0.502 18358 1195 1 10 . 1 1 31 31 CYS N N 31 117.630 117.630 115.566 2.064 18358 1196 1 10 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.486 -0.319 18358 1197 1 10 . 1 1 31 31 CYS H H 31 7.340 7.340 8.632 -1.292 18358 1198 1 10 . 1 1 32 32 VAL N N 32 124.340 124.340 120.407 3.933 18358 1199 1 10 . 1 1 32 32 VAL HA H 32 3.178 3.178 4.016 -0.838 18358 1200 1 10 . 1 1 32 32 VAL H H 32 8.718 8.718 7.943 0.775 18358 1201 1 10 . 1 1 33 33 LEU N N 33 117.743 117.743 121.886 -4.143 18358 1202 1 10 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.902 -0.210 18358 1203 1 10 . 1 1 33 33 LEU H H 33 8.512 8.512 8.050 0.462 18358 1204 1 10 . 1 1 34 34 ALA N N 34 120.707 120.707 120.460 0.247 18358 1205 1 10 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.036 0.031 18358 1206 1 10 . 1 1 34 34 ALA H H 34 7.508 7.508 8.083 -0.575 18358 1207 1 10 . 1 1 35 35 ALA N N 35 121.539 121.539 117.731 3.808 18358 1208 1 10 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.385 -0.211 18358 1209 1 10 . 1 1 35 35 ALA H H 35 7.765 7.765 7.432 0.333 18358 1210 1 10 . 1 1 36 36 LEU N N 36 116.961 116.961 118.676 -1.715 18358 1211 1 10 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.478 -0.271 18358 1212 1 10 . 1 1 36 36 LEU H H 36 8.322 8.322 7.531 0.791 18358 1213 1 10 . 1 1 37 37 LYS N N 37 121.909 121.909 119.673 2.236 18358 1214 1 10 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.181 -0.193 18358 1215 1 10 . 1 1 37 37 LYS H H 37 7.335 7.335 7.750 -0.415 18358 1216 1 10 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.870 -0.080 18358 1217 1 10 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.247 -0.262 18358 1218 1 10 . 1 1 45 45 CYS N N 45 118.951 118.951 117.761 1.190 18358 1219 1 10 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.730 -0.389 18358 1220 1 10 . 1 1 45 45 CYS H H 45 7.104 7.104 7.295 -0.191 18358 1221 1 10 . 1 1 46 46 PHE N N 46 120.196 120.196 120.733 -0.537 18358 1222 1 10 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.720 -0.121 18358 1223 1 10 . 1 1 46 46 PHE H H 46 7.984 7.984 7.796 0.188 18358 1224 1 10 . 1 1 47 47 CYS N N 47 115.827 115.827 120.738 -4.911 18358 1225 1 10 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.717 -0.398 18358 1226 1 10 . 1 1 47 47 CYS H H 47 8.773 8.773 8.074 0.699 18358 1227 1 10 . 1 1 48 48 GLU N N 48 117.841 117.841 120.877 -3.036 18358 1228 1 10 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.060 -0.131 18358 1229 1 10 . 1 1 48 48 GLU H H 48 7.775 7.775 7.958 -0.183 18358 1230 1 10 . 1 1 49 49 ASP N N 49 116.149 116.149 116.669 -0.520 18358 1231 1 10 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.615 -0.125 18358 1232 1 10 . 1 1 49 49 ASP H H 49 6.791 6.791 8.521 -1.730 18358 1233 1 10 . 1 1 50 50 HIS N N 50 121.887 121.887 119.637 2.250 18358 1234 1 10 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.746 -0.263 18358 1235 1 10 . 1 1 50 50 HIS H H 50 7.016 7.016 7.999 -0.983 18358 1236 1 10 . 1 1 51 51 CYS N N 51 118.443 118.443 120.730 -2.287 18358 1237 1 10 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.789 -0.299 18358 1238 1 10 . 1 1 51 51 CYS H H 51 8.059 8.059 7.993 0.066 18358 1239 1 10 . 1 1 52 52 HIS N N 52 123.835 123.835 118.867 4.968 18358 1240 1 10 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.737 -0.156 18358 1241 1 10 . 1 1 52 52 HIS H H 52 8.294 8.294 8.161 0.133 18358 1242 1 10 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.371 0.642 18358 1243 1 10 . 1 1 55 55 CYS N N 55 116.926 116.926 119.605 -2.679 18358 1244 1 10 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.180 0.049 18358 1245 1 10 . 1 1 55 55 CYS H H 55 7.314 7.314 8.038 -0.724 18358 1246 1 10 . 1 1 56 56 LYS N N 56 117.865 117.865 118.213 -0.348 18358 1247 1 10 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.276 -0.161 18358 1248 1 10 . 1 1 56 56 LYS H H 56 6.427 6.427 7.573 -1.146 18358 1249 1 10 . 1 1 57 57 ASP N N 57 122.411 122.411 120.595 1.816 18358 1250 1 10 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.260 -0.154 18358 1251 1 10 . 1 1 57 57 ASP H H 57 8.415 8.415 7.443 0.972 18358 1252 1 10 . 1 1 58 58 LEU N N 58 115.608 115.608 117.903 -2.295 18358 1253 1 10 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.340 -0.128 18358 1254 1 10 . 1 1 58 58 LEU H H 58 7.593 7.593 7.148 0.445 18358 1255 1 10 . 1 1 59 59 HIS N N 59 113.919 113.919 114.651 -0.732 18358 1256 1 10 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.415 -0.099 18358 1257 1 10 . 1 1 59 59 HIS H H 59 7.866 7.866 7.553 0.313 18358 1258 1 10 . 1 1 60 60 LEU N N 60 116.798 116.798 118.444 -1.646 18358 1259 1 10 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.530 -0.239 18358 1260 1 10 . 1 1 60 60 LEU H H 60 7.762 7.762 8.136 -0.374 18358 1261 1 11 . 1 1 8 8 LEU N N 8 117.542 117.542 114.634 2.908 18358 1262 1 11 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.515 -0.394 18358 1263 1 11 . 1 1 8 8 LEU H H 8 7.735 7.735 7.155 0.580 18358 1264 1 11 . 1 1 9 9 LYS N N 9 123.335 123.335 120.172 3.163 18358 1265 1 11 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.297 -0.219 18358 1266 1 11 . 1 1 9 9 LYS H H 9 7.831 7.831 7.668 0.163 18358 1267 1 11 . 1 1 10 10 LYS N N 10 121.522 121.522 117.990 3.532 18358 1268 1 11 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.182 -0.525 18358 1269 1 11 . 1 1 10 10 LYS H H 10 8.627 8.627 7.913 0.714 18358 1270 1 11 . 1 1 11 11 VAL N N 11 117.576 117.576 119.604 -2.028 18358 1271 1 11 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.758 -0.025 18358 1272 1 11 . 1 1 11 11 VAL H H 11 7.491 7.491 7.507 -0.016 18358 1273 1 11 . 1 1 12 12 ALA N N 12 123.018 123.018 120.491 2.527 18358 1274 1 11 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.317 -0.186 18358 1275 1 11 . 1 1 12 12 ALA H H 12 7.898 7.898 7.721 0.177 18358 1276 1 11 . 1 1 13 13 CYS N N 13 113.951 113.951 113.458 0.493 18358 1277 1 11 . 1 1 13 13 CYS HA H 13 4.587 4.587 5.071 -0.484 18358 1278 1 11 . 1 1 13 13 CYS H H 13 8.394 8.394 7.471 0.923 18358 1279 1 11 . 1 1 14 14 ALA N N 14 124.346 124.346 123.803 0.543 18358 1280 1 11 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.011 0.016 18358 1281 1 11 . 1 1 14 14 ALA H H 14 7.549 7.549 7.872 -0.323 18358 1282 1 11 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.275 -0.072 18358 1283 1 11 . 1 1 16 16 ALA N N 16 124.554 124.554 120.325 4.229 18358 1284 1 11 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.434 -0.359 18358 1285 1 11 . 1 1 16 16 ALA H H 16 8.570 8.570 7.198 1.372 18358 1286 1 11 . 1 1 17 17 ILE N N 17 119.462 119.462 120.050 -0.588 18358 1287 1 11 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.874 -0.458 18358 1288 1 11 . 1 1 17 17 ILE H H 17 8.475 8.475 8.373 0.102 18358 1289 1 11 . 1 1 18 18 ALA N N 18 121.295 121.295 121.624 -0.329 18358 1290 1 11 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.038 0.031 18358 1291 1 11 . 1 1 18 18 ALA H H 18 8.288 8.288 7.653 0.635 18358 1292 1 11 . 1 1 19 19 GLY N N 19 105.669 105.669 104.565 1.104 18358 1293 1 11 . 1 1 19 19 GLY H H 19 8.399 8.399 7.587 0.812 18358 1294 1 11 . 1 1 20 20 ALA N N 20 127.175 127.175 123.677 3.498 18358 1295 1 11 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.395 -0.314 18358 1296 1 11 . 1 1 20 20 ALA H H 20 7.972 7.972 7.536 0.436 18358 1297 1 11 . 1 1 21 21 VAL N N 21 118.978 118.978 119.884 -0.906 18358 1298 1 11 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.728 -0.363 18358 1299 1 11 . 1 1 21 21 VAL H H 21 8.435 8.435 7.343 1.092 18358 1300 1 11 . 1 1 22 22 ALA N N 22 121.005 121.005 120.599 0.406 18358 1301 1 11 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.156 -0.082 18358 1302 1 11 . 1 1 22 22 ALA H H 22 7.835 7.835 7.908 -0.073 18358 1303 1 11 . 1 1 23 23 ALA N N 23 121.200 121.200 119.443 1.757 18358 1304 1 11 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.232 -0.169 18358 1305 1 11 . 1 1 23 23 ALA H H 23 8.062 8.062 7.908 0.154 18358 1306 1 11 . 1 1 24 24 CYS N N 24 114.529 114.529 117.035 -2.506 18358 1307 1 11 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.587 -0.099 18358 1308 1 11 . 1 1 24 24 CYS H H 24 8.045 8.045 8.000 0.045 18358 1309 1 11 . 1 1 25 25 GLY N N 25 109.695 109.695 109.986 -0.291 18358 1310 1 11 . 1 1 25 25 GLY H H 25 7.916 7.916 7.979 -0.063 18358 1311 1 11 . 1 1 26 26 GLY N N 26 107.481 107.481 107.377 0.104 18358 1312 1 11 . 1 1 26 26 GLY H H 26 8.056 8.056 7.877 0.179 18358 1313 1 11 . 1 1 27 27 ILE N N 27 117.952 117.952 119.436 -1.484 18358 1314 1 11 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.643 -0.898 18358 1315 1 11 . 1 1 27 27 ILE H H 27 8.342 8.342 8.287 0.055 18358 1316 1 11 . 1 1 28 28 ASP N N 28 128.285 128.285 128.441 -0.156 18358 1317 1 11 . 1 1 28 28 ASP H H 28 7.060 7.060 8.891 -1.831 18358 1318 1 11 . 1 1 29 29 LEU N N 29 124.546 124.546 116.476 8.070 18358 1319 1 11 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.564 -0.562 18358 1320 1 11 . 1 1 29 29 LEU H H 29 8.907 8.907 8.297 0.610 18358 1321 1 11 . 1 1 31 31 CYS N N 31 117.630 117.630 113.839 3.791 18358 1322 1 11 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.450 -0.283 18358 1323 1 11 . 1 1 31 31 CYS H H 31 7.340 7.340 8.724 -1.384 18358 1324 1 11 . 1 1 32 32 VAL N N 32 124.340 124.340 122.046 2.294 18358 1325 1 11 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.910 -0.732 18358 1326 1 11 . 1 1 32 32 VAL H H 32 8.718 8.718 7.708 1.010 18358 1327 1 11 . 1 1 33 33 LEU N N 33 117.743 117.743 122.032 -4.289 18358 1328 1 11 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.138 -0.446 18358 1329 1 11 . 1 1 33 33 LEU H H 33 8.512 8.512 7.973 0.539 18358 1330 1 11 . 1 1 34 34 ALA N N 34 120.707 120.707 122.322 -1.615 18358 1331 1 11 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.113 -0.046 18358 1332 1 11 . 1 1 34 34 ALA H H 34 7.508 7.508 7.569 -0.061 18358 1333 1 11 . 1 1 35 35 ALA N N 35 121.539 121.539 119.247 2.292 18358 1334 1 11 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.697 -0.523 18358 1335 1 11 . 1 1 35 35 ALA H H 35 7.765 7.765 7.552 0.213 18358 1336 1 11 . 1 1 36 36 LEU N N 36 116.961 116.961 119.709 -2.748 18358 1337 1 11 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.622 -0.415 18358 1338 1 11 . 1 1 36 36 LEU H H 36 8.322 8.322 7.824 0.498 18358 1339 1 11 . 1 1 37 37 LYS N N 37 121.909 121.909 121.295 0.614 18358 1340 1 11 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.267 -0.279 18358 1341 1 11 . 1 1 37 37 LYS H H 37 7.335 7.335 8.213 -0.878 18358 1342 1 11 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.139 0.651 18358 1343 1 11 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.131 -0.146 18358 1344 1 11 . 1 1 45 45 CYS N N 45 118.951 118.951 120.144 -1.193 18358 1345 1 11 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.561 -0.220 18358 1346 1 11 . 1 1 45 45 CYS H H 45 7.104 7.104 7.650 -0.546 18358 1347 1 11 . 1 1 46 46 PHE N N 46 120.196 120.196 121.361 -1.165 18358 1348 1 11 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.515 0.084 18358 1349 1 11 . 1 1 46 46 PHE H H 46 7.984 7.984 7.659 0.325 18358 1350 1 11 . 1 1 47 47 CYS N N 47 115.827 115.827 117.144 -1.317 18358 1351 1 11 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.539 -0.220 18358 1352 1 11 . 1 1 47 47 CYS H H 47 8.773 8.773 7.909 0.864 18358 1353 1 11 . 1 1 48 48 GLU N N 48 117.841 117.841 122.534 -4.693 18358 1354 1 11 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.082 -0.153 18358 1355 1 11 . 1 1 48 48 GLU H H 48 7.775 7.775 8.108 -0.333 18358 1356 1 11 . 1 1 49 49 ASP N N 49 116.149 116.149 116.176 -0.027 18358 1357 1 11 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.484 0.006 18358 1358 1 11 . 1 1 49 49 ASP H H 49 6.791 6.791 8.530 -1.739 18358 1359 1 11 . 1 1 50 50 HIS N N 50 121.887 121.887 118.378 3.509 18358 1360 1 11 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.650 -0.167 18358 1361 1 11 . 1 1 50 50 HIS H H 50 7.016 7.016 7.593 -0.577 18358 1362 1 11 . 1 1 51 51 CYS N N 51 118.443 118.443 124.086 -5.643 18358 1363 1 11 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.738 -0.248 18358 1364 1 11 . 1 1 51 51 CYS H H 51 8.059 8.059 8.706 -0.647 18358 1365 1 11 . 1 1 52 52 HIS N N 52 123.835 123.835 120.867 2.968 18358 1366 1 11 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.784 -0.203 18358 1367 1 11 . 1 1 52 52 HIS H H 52 8.294 8.294 8.408 -0.114 18358 1368 1 11 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.457 0.556 18358 1369 1 11 . 1 1 55 55 CYS N N 55 116.926 116.926 120.794 -3.868 18358 1370 1 11 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.140 0.089 18358 1371 1 11 . 1 1 55 55 CYS H H 55 7.314 7.314 8.285 -0.971 18358 1372 1 11 . 1 1 56 56 LYS N N 56 117.865 117.865 119.045 -1.180 18358 1373 1 11 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.109 0.006 18358 1374 1 11 . 1 1 56 56 LYS H H 56 6.427 6.427 7.561 -1.134 18358 1375 1 11 . 1 1 57 57 ASP N N 57 122.411 122.411 120.685 1.726 18358 1376 1 11 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.464 -0.358 18358 1377 1 11 . 1 1 57 57 ASP H H 57 8.415 8.415 7.460 0.955 18358 1378 1 11 . 1 1 58 58 LEU N N 58 115.608 115.608 116.412 -0.804 18358 1379 1 11 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.297 -0.085 18358 1380 1 11 . 1 1 58 58 LEU H H 58 7.593 7.593 7.422 0.171 18358 1381 1 11 . 1 1 59 59 HIS N N 59 113.919 113.919 115.573 -1.654 18358 1382 1 11 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.246 0.070 18358 1383 1 11 . 1 1 59 59 HIS H H 59 7.866 7.866 7.723 0.143 18358 1384 1 11 . 1 1 60 60 LEU N N 60 116.798 116.798 116.018 0.780 18358 1385 1 11 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.645 -0.354 18358 1386 1 11 . 1 1 60 60 LEU H H 60 7.762 7.762 7.859 -0.097 18358 1387 1 12 . 1 1 8 8 LEU N N 8 117.542 117.542 116.528 1.014 18358 1388 1 12 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.578 -0.457 18358 1389 1 12 . 1 1 8 8 LEU H H 8 7.735 7.735 7.390 0.345 18358 1390 1 12 . 1 1 9 9 LYS N N 9 123.335 123.335 120.108 3.227 18358 1391 1 12 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.332 -0.254 18358 1392 1 12 . 1 1 9 9 LYS H H 9 7.831 7.831 8.195 -0.364 18358 1393 1 12 . 1 1 10 10 LYS N N 10 121.522 121.522 119.799 1.723 18358 1394 1 12 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.196 -0.539 18358 1395 1 12 . 1 1 10 10 LYS H H 10 8.627 8.627 7.845 0.782 18358 1396 1 12 . 1 1 11 11 VAL N N 11 117.576 117.576 119.265 -1.689 18358 1397 1 12 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.971 -0.238 18358 1398 1 12 . 1 1 11 11 VAL H H 11 7.491 7.491 7.756 -0.265 18358 1399 1 12 . 1 1 12 12 ALA N N 12 123.018 123.018 121.097 1.921 18358 1400 1 12 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.971 0.160 18358 1401 1 12 . 1 1 12 12 ALA H H 12 7.898 7.898 8.064 -0.166 18358 1402 1 12 . 1 1 13 13 CYS N N 13 113.951 113.951 110.491 3.460 18358 1403 1 12 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.992 0.595 18358 1404 1 12 . 1 1 13 13 CYS H H 13 8.394 8.394 8.757 -0.363 18358 1405 1 12 . 1 1 14 14 ALA N N 14 124.346 124.346 124.371 -0.025 18358 1406 1 12 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.095 -0.068 18358 1407 1 12 . 1 1 14 14 ALA H H 14 7.549 7.549 7.683 -0.134 18358 1408 1 12 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.260 -0.057 18358 1409 1 12 . 1 1 16 16 ALA N N 16 124.554 124.554 120.855 3.699 18358 1410 1 12 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.316 -0.241 18358 1411 1 12 . 1 1 16 16 ALA H H 16 8.570 8.570 7.910 0.660 18358 1412 1 12 . 1 1 17 17 ILE N N 17 119.462 119.462 121.058 -1.596 18358 1413 1 12 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.853 -0.437 18358 1414 1 12 . 1 1 17 17 ILE H H 17 8.475 8.475 8.081 0.394 18358 1415 1 12 . 1 1 18 18 ALA N N 18 121.295 121.295 121.342 -0.047 18358 1416 1 12 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.163 -0.094 18358 1417 1 12 . 1 1 18 18 ALA H H 18 8.288 8.288 7.658 0.630 18358 1418 1 12 . 1 1 19 19 GLY N N 19 105.669 105.669 105.525 0.144 18358 1419 1 12 . 1 1 19 19 GLY H H 19 8.399 8.399 7.760 0.639 18358 1420 1 12 . 1 1 20 20 ALA N N 20 127.175 127.175 124.542 2.633 18358 1421 1 12 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.167 -0.086 18358 1422 1 12 . 1 1 20 20 ALA H H 20 7.972 7.972 7.536 0.436 18358 1423 1 12 . 1 1 21 21 VAL N N 21 118.978 118.978 118.755 0.223 18358 1424 1 12 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.663 -0.298 18358 1425 1 12 . 1 1 21 21 VAL H H 21 8.435 8.435 7.589 0.846 18358 1426 1 12 . 1 1 22 22 ALA N N 22 121.005 121.005 120.201 0.804 18358 1427 1 12 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.131 -0.057 18358 1428 1 12 . 1 1 22 22 ALA H H 22 7.835 7.835 7.660 0.175 18358 1429 1 12 . 1 1 23 23 ALA N N 23 121.200 121.200 121.124 0.076 18358 1430 1 12 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.183 -0.120 18358 1431 1 12 . 1 1 23 23 ALA H H 23 8.062 8.062 7.591 0.471 18358 1432 1 12 . 1 1 24 24 CYS N N 24 114.529 114.529 115.619 -1.090 18358 1433 1 12 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.666 -0.178 18358 1434 1 12 . 1 1 24 24 CYS H H 24 8.045 8.045 8.041 0.004 18358 1435 1 12 . 1 1 25 25 GLY N N 25 109.695 109.695 109.818 -0.123 18358 1436 1 12 . 1 1 25 25 GLY H H 25 7.916 7.916 8.324 -0.408 18358 1437 1 12 . 1 1 26 26 GLY N N 26 107.481 107.481 108.943 -1.462 18358 1438 1 12 . 1 1 26 26 GLY H H 26 8.056 8.056 7.652 0.404 18358 1439 1 12 . 1 1 27 27 ILE N N 27 117.952 117.952 121.179 -3.227 18358 1440 1 12 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.344 -0.599 18358 1441 1 12 . 1 1 27 27 ILE H H 27 8.342 8.342 8.420 -0.078 18358 1442 1 12 . 1 1 28 28 ASP N N 28 128.285 128.285 126.679 1.606 18358 1443 1 12 . 1 1 28 28 ASP H H 28 7.060 7.060 8.614 -1.554 18358 1444 1 12 . 1 1 29 29 LEU N N 29 124.546 124.546 118.173 6.373 18358 1445 1 12 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.499 -0.497 18358 1446 1 12 . 1 1 29 29 LEU H H 29 8.907 8.907 7.996 0.911 18358 1447 1 12 . 1 1 31 31 CYS N N 31 117.630 117.630 113.533 4.097 18358 1448 1 12 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.438 -0.271 18358 1449 1 12 . 1 1 31 31 CYS H H 31 7.340 7.340 8.543 -1.203 18358 1450 1 12 . 1 1 32 32 VAL N N 32 124.340 124.340 122.343 1.997 18358 1451 1 12 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.821 -0.643 18358 1452 1 12 . 1 1 32 32 VAL H H 32 8.718 8.718 7.442 1.276 18358 1453 1 12 . 1 1 33 33 LEU N N 33 117.743 117.743 121.625 -3.882 18358 1454 1 12 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.886 -0.194 18358 1455 1 12 . 1 1 33 33 LEU H H 33 8.512 8.512 8.244 0.268 18358 1456 1 12 . 1 1 34 34 ALA N N 34 120.707 120.707 121.655 -0.948 18358 1457 1 12 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.061 0.006 18358 1458 1 12 . 1 1 34 34 ALA H H 34 7.508 7.508 7.696 -0.188 18358 1459 1 12 . 1 1 35 35 ALA N N 35 121.539 121.539 117.379 4.160 18358 1460 1 12 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.353 -0.179 18358 1461 1 12 . 1 1 35 35 ALA H H 35 7.765 7.765 7.795 -0.030 18358 1462 1 12 . 1 1 36 36 LEU N N 36 116.961 116.961 119.063 -2.102 18358 1463 1 12 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.560 -0.353 18358 1464 1 12 . 1 1 36 36 LEU H H 36 8.322 8.322 7.569 0.753 18358 1465 1 12 . 1 1 37 37 LYS N N 37 121.909 121.909 117.552 4.357 18358 1466 1 12 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.625 -0.637 18358 1467 1 12 . 1 1 37 37 LYS H H 37 7.335 7.335 7.754 -0.419 18358 1468 1 12 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.677 0.113 18358 1469 1 12 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.515 -0.530 18358 1470 1 12 . 1 1 45 45 CYS N N 45 118.951 118.951 115.191 3.760 18358 1471 1 12 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.683 -0.342 18358 1472 1 12 . 1 1 45 45 CYS H H 45 7.104 7.104 7.654 -0.550 18358 1473 1 12 . 1 1 46 46 PHE N N 46 120.196 120.196 121.680 -1.484 18358 1474 1 12 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.647 -0.048 18358 1475 1 12 . 1 1 46 46 PHE H H 46 7.984 7.984 7.770 0.214 18358 1476 1 12 . 1 1 47 47 CYS N N 47 115.827 115.827 118.025 -2.198 18358 1477 1 12 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.740 -0.421 18358 1478 1 12 . 1 1 47 47 CYS H H 47 8.773 8.773 7.753 1.020 18358 1479 1 12 . 1 1 48 48 GLU N N 48 117.841 117.841 120.411 -2.570 18358 1480 1 12 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.088 -0.159 18358 1481 1 12 . 1 1 48 48 GLU H H 48 7.775 7.775 8.052 -0.277 18358 1482 1 12 . 1 1 49 49 ASP N N 49 116.149 116.149 117.000 -0.851 18358 1483 1 12 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.545 -0.055 18358 1484 1 12 . 1 1 49 49 ASP H H 49 6.791 6.791 8.544 -1.753 18358 1485 1 12 . 1 1 50 50 HIS N N 50 121.887 121.887 119.745 2.142 18358 1486 1 12 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.976 -0.493 18358 1487 1 12 . 1 1 50 50 HIS H H 50 7.016 7.016 7.894 -0.878 18358 1488 1 12 . 1 1 51 51 CYS N N 51 118.443 118.443 119.618 -1.175 18358 1489 1 12 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.744 -0.254 18358 1490 1 12 . 1 1 51 51 CYS H H 51 8.059 8.059 7.916 0.143 18358 1491 1 12 . 1 1 52 52 HIS N N 52 123.835 123.835 116.905 6.930 18358 1492 1 12 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.741 -0.160 18358 1493 1 12 . 1 1 52 52 HIS H H 52 8.294 8.294 8.279 0.015 18358 1494 1 12 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.914 0.099 18358 1495 1 12 . 1 1 55 55 CYS N N 55 116.926 116.926 116.352 0.574 18358 1496 1 12 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.205 0.024 18358 1497 1 12 . 1 1 55 55 CYS H H 55 7.314 7.314 8.382 -1.068 18358 1498 1 12 . 1 1 56 56 LYS N N 56 117.865 117.865 120.952 -3.087 18358 1499 1 12 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.191 -0.076 18358 1500 1 12 . 1 1 56 56 LYS H H 56 6.427 6.427 7.692 -1.265 18358 1501 1 12 . 1 1 57 57 ASP N N 57 122.411 122.411 119.623 2.788 18358 1502 1 12 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.381 -0.275 18358 1503 1 12 . 1 1 57 57 ASP H H 57 8.415 8.415 7.593 0.822 18358 1504 1 12 . 1 1 58 58 LEU N N 58 115.608 115.608 117.665 -2.057 18358 1505 1 12 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.309 -0.097 18358 1506 1 12 . 1 1 58 58 LEU H H 58 7.593 7.593 7.694 -0.101 18358 1507 1 12 . 1 1 59 59 HIS N N 59 113.919 113.919 116.978 -3.059 18358 1508 1 12 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.333 -0.017 18358 1509 1 12 . 1 1 59 59 HIS H H 59 7.866 7.866 7.824 0.042 18358 1510 1 12 . 1 1 60 60 LEU N N 60 116.798 116.798 114.894 1.904 18358 1511 1 12 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.732 -0.441 18358 1512 1 12 . 1 1 60 60 LEU H H 60 7.762 7.762 7.833 -0.071 18358 1513 1 13 . 1 1 8 8 LEU N N 8 117.542 117.542 120.134 -2.592 18358 1514 1 13 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.137 -0.016 18358 1515 1 13 . 1 1 8 8 LEU H H 8 7.735 7.735 7.866 -0.131 18358 1516 1 13 . 1 1 9 9 LYS N N 9 123.335 123.335 118.164 5.171 18358 1517 1 13 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.142 -0.064 18358 1518 1 13 . 1 1 9 9 LYS H H 9 7.831 7.831 8.367 -0.536 18358 1519 1 13 . 1 1 10 10 LYS N N 10 121.522 121.522 120.220 1.302 18358 1520 1 13 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.430 -0.773 18358 1521 1 13 . 1 1 10 10 LYS H H 10 8.627 8.627 7.401 1.226 18358 1522 1 13 . 1 1 11 11 VAL N N 11 117.576 117.576 118.001 -0.425 18358 1523 1 13 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.601 0.132 18358 1524 1 13 . 1 1 11 11 VAL H H 11 7.491 7.491 8.186 -0.695 18358 1525 1 13 . 1 1 12 12 ALA N N 12 123.018 123.018 119.610 3.408 18358 1526 1 13 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.053 0.078 18358 1527 1 13 . 1 1 12 12 ALA H H 12 7.898 7.898 7.946 -0.048 18358 1528 1 13 . 1 1 13 13 CYS N N 13 113.951 113.951 111.078 2.873 18358 1529 1 13 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.112 0.475 18358 1530 1 13 . 1 1 13 13 CYS H H 13 8.394 8.394 7.987 0.407 18358 1531 1 13 . 1 1 14 14 ALA N N 14 124.346 124.346 121.629 2.717 18358 1532 1 13 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.378 -0.351 18358 1533 1 13 . 1 1 14 14 ALA H H 14 7.549 7.549 7.738 -0.189 18358 1534 1 13 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.255 -0.052 18358 1535 1 13 . 1 1 16 16 ALA N N 16 124.554 124.554 121.160 3.394 18358 1536 1 13 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.115 -0.040 18358 1537 1 13 . 1 1 16 16 ALA H H 16 8.570 8.570 8.424 0.146 18358 1538 1 13 . 1 1 17 17 ILE N N 17 119.462 119.462 117.389 2.073 18358 1539 1 13 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.690 -0.274 18358 1540 1 13 . 1 1 17 17 ILE H H 17 8.475 8.475 8.016 0.459 18358 1541 1 13 . 1 1 18 18 ALA N N 18 121.295 121.295 119.902 1.393 18358 1542 1 13 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.194 -0.125 18358 1543 1 13 . 1 1 18 18 ALA H H 18 8.288 8.288 8.002 0.286 18358 1544 1 13 . 1 1 19 19 GLY N N 19 105.669 105.669 105.924 -0.255 18358 1545 1 13 . 1 1 19 19 GLY H H 19 8.399 8.399 7.704 0.695 18358 1546 1 13 . 1 1 20 20 ALA N N 20 127.175 127.175 123.707 3.468 18358 1547 1 13 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.146 -0.065 18358 1548 1 13 . 1 1 20 20 ALA H H 20 7.972 7.972 7.637 0.335 18358 1549 1 13 . 1 1 21 21 VAL N N 21 118.978 118.978 119.121 -0.143 18358 1550 1 13 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.676 -0.311 18358 1551 1 13 . 1 1 21 21 VAL H H 21 8.435 8.435 7.786 0.649 18358 1552 1 13 . 1 1 22 22 ALA N N 22 121.005 121.005 121.258 -0.253 18358 1553 1 13 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.122 -0.048 18358 1554 1 13 . 1 1 22 22 ALA H H 22 7.835 7.835 7.606 0.229 18358 1555 1 13 . 1 1 23 23 ALA N N 23 121.200 121.200 120.505 0.695 18358 1556 1 13 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.118 -0.055 18358 1557 1 13 . 1 1 23 23 ALA H H 23 8.062 8.062 7.809 0.253 18358 1558 1 13 . 1 1 24 24 CYS N N 24 114.529 114.529 115.670 -1.141 18358 1559 1 13 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.479 0.009 18358 1560 1 13 . 1 1 24 24 CYS H H 24 8.045 8.045 7.949 0.096 18358 1561 1 13 . 1 1 25 25 GLY N N 25 109.695 109.695 108.980 0.715 18358 1562 1 13 . 1 1 25 25 GLY H H 25 7.916 7.916 7.733 0.183 18358 1563 1 13 . 1 1 26 26 GLY N N 26 107.481 107.481 109.268 -1.787 18358 1564 1 13 . 1 1 26 26 GLY H H 26 8.056 8.056 8.147 -0.091 18358 1565 1 13 . 1 1 27 27 ILE N N 27 117.952 117.952 120.356 -2.404 18358 1566 1 13 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.498 -0.753 18358 1567 1 13 . 1 1 27 27 ILE H H 27 8.342 8.342 8.406 -0.064 18358 1568 1 13 . 1 1 28 28 ASP N N 28 128.285 128.285 126.918 1.367 18358 1569 1 13 . 1 1 28 28 ASP H H 28 7.060 7.060 8.489 -1.429 18358 1570 1 13 . 1 1 29 29 LEU N N 29 124.546 124.546 117.817 6.729 18358 1571 1 13 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.530 -0.528 18358 1572 1 13 . 1 1 29 29 LEU H H 29 8.907 8.907 7.898 1.009 18358 1573 1 13 . 1 1 31 31 CYS N N 31 117.630 117.630 116.341 1.289 18358 1574 1 13 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.707 -0.540 18358 1575 1 13 . 1 1 31 31 CYS H H 31 7.340 7.340 7.697 -0.357 18358 1576 1 13 . 1 1 32 32 VAL N N 32 124.340 124.340 122.018 2.322 18358 1577 1 13 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.966 -0.788 18358 1578 1 13 . 1 1 32 32 VAL H H 32 8.718 8.718 7.985 0.733 18358 1579 1 13 . 1 1 33 33 LEU N N 33 117.743 117.743 116.616 1.127 18358 1580 1 13 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.329 -0.637 18358 1581 1 13 . 1 1 33 33 LEU H H 33 8.512 8.512 7.638 0.874 18358 1582 1 13 . 1 1 34 34 ALA N N 34 120.707 120.707 124.071 -3.364 18358 1583 1 13 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.037 0.030 18358 1584 1 13 . 1 1 34 34 ALA H H 34 7.508 7.508 7.710 -0.202 18358 1585 1 13 . 1 1 35 35 ALA N N 35 121.539 121.539 117.886 3.653 18358 1586 1 13 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.342 -0.168 18358 1587 1 13 . 1 1 35 35 ALA H H 35 7.765 7.765 8.324 -0.559 18358 1588 1 13 . 1 1 36 36 LEU N N 36 116.961 116.961 118.000 -1.039 18358 1589 1 13 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.603 -0.396 18358 1590 1 13 . 1 1 36 36 LEU H H 36 8.322 8.322 7.414 0.908 18358 1591 1 13 . 1 1 37 37 LYS N N 37 121.909 121.909 120.839 1.070 18358 1592 1 13 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.362 -0.374 18358 1593 1 13 . 1 1 37 37 LYS H H 37 7.335 7.335 7.323 0.012 18358 1594 1 13 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.073 0.717 18358 1595 1 13 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.291 -0.306 18358 1596 1 13 . 1 1 45 45 CYS N N 45 118.951 118.951 115.965 2.986 18358 1597 1 13 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.453 -0.112 18358 1598 1 13 . 1 1 45 45 CYS H H 45 7.104 7.104 8.334 -1.230 18358 1599 1 13 . 1 1 46 46 PHE N N 46 120.196 120.196 123.411 -3.215 18358 1600 1 13 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.535 0.064 18358 1601 1 13 . 1 1 46 46 PHE H H 46 7.984 7.984 7.855 0.129 18358 1602 1 13 . 1 1 47 47 CYS N N 47 115.827 115.827 118.132 -2.305 18358 1603 1 13 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.513 -0.194 18358 1604 1 13 . 1 1 47 47 CYS H H 47 8.773 8.773 8.020 0.753 18358 1605 1 13 . 1 1 48 48 GLU N N 48 117.841 117.841 122.161 -4.320 18358 1606 1 13 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.195 -0.266 18358 1607 1 13 . 1 1 48 48 GLU H H 48 7.775 7.775 8.002 -0.227 18358 1608 1 13 . 1 1 49 49 ASP N N 49 116.149 116.149 116.689 -0.540 18358 1609 1 13 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.526 -0.036 18358 1610 1 13 . 1 1 49 49 ASP H H 49 6.791 6.791 8.371 -1.580 18358 1611 1 13 . 1 1 50 50 HIS N N 50 121.887 121.887 119.146 2.741 18358 1612 1 13 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.750 -0.267 18358 1613 1 13 . 1 1 50 50 HIS H H 50 7.016 7.016 7.715 -0.699 18358 1614 1 13 . 1 1 51 51 CYS N N 51 118.443 118.443 121.740 -3.297 18358 1615 1 13 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.827 -0.337 18358 1616 1 13 . 1 1 51 51 CYS H H 51 8.059 8.059 8.354 -0.295 18358 1617 1 13 . 1 1 52 52 HIS N N 52 123.835 123.835 121.806 2.029 18358 1618 1 13 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.682 -0.101 18358 1619 1 13 . 1 1 52 52 HIS H H 52 8.294 8.294 8.480 -0.186 18358 1620 1 13 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.489 0.524 18358 1621 1 13 . 1 1 55 55 CYS N N 55 116.926 116.926 121.607 -4.681 18358 1622 1 13 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.179 0.050 18358 1623 1 13 . 1 1 55 55 CYS H H 55 7.314 7.314 8.233 -0.919 18358 1624 1 13 . 1 1 56 56 LYS N N 56 117.865 117.865 119.374 -1.509 18358 1625 1 13 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.190 -0.075 18358 1626 1 13 . 1 1 56 56 LYS H H 56 6.427 6.427 7.651 -1.224 18358 1627 1 13 . 1 1 57 57 ASP N N 57 122.411 122.411 119.907 2.504 18358 1628 1 13 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.301 -0.195 18358 1629 1 13 . 1 1 57 57 ASP H H 57 8.415 8.415 7.556 0.859 18358 1630 1 13 . 1 1 58 58 LEU N N 58 115.608 115.608 116.621 -1.013 18358 1631 1 13 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.332 -0.120 18358 1632 1 13 . 1 1 58 58 LEU H H 58 7.593 7.593 7.252 0.341 18358 1633 1 13 . 1 1 59 59 HIS N N 59 113.919 113.919 115.425 -1.506 18358 1634 1 13 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.335 -0.019 18358 1635 1 13 . 1 1 59 59 HIS H H 59 7.866 7.866 7.471 0.395 18358 1636 1 13 . 1 1 60 60 LEU N N 60 116.798 116.798 119.773 -2.975 18358 1637 1 13 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.616 -0.325 18358 1638 1 13 . 1 1 60 60 LEU H H 60 7.762 7.762 8.251 -0.489 18358 1639 1 14 . 1 1 8 8 LEU N N 8 117.542 117.542 119.461 -1.919 18358 1640 1 14 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.610 -0.489 18358 1641 1 14 . 1 1 8 8 LEU H H 8 7.735 7.735 7.718 0.017 18358 1642 1 14 . 1 1 9 9 LYS N N 9 123.335 123.335 118.725 4.610 18358 1643 1 14 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.369 -0.291 18358 1644 1 14 . 1 1 9 9 LYS H H 9 7.831 7.831 8.330 -0.499 18358 1645 1 14 . 1 1 10 10 LYS N N 10 121.522 121.522 116.642 4.880 18358 1646 1 14 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.233 -0.576 18358 1647 1 14 . 1 1 10 10 LYS H H 10 8.627 8.627 7.811 0.816 18358 1648 1 14 . 1 1 11 11 VAL N N 11 117.576 117.576 118.348 -0.772 18358 1649 1 14 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.999 -0.266 18358 1650 1 14 . 1 1 11 11 VAL H H 11 7.491 7.491 7.797 -0.306 18358 1651 1 14 . 1 1 12 12 ALA N N 12 123.018 123.018 120.205 2.813 18358 1652 1 14 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.885 0.246 18358 1653 1 14 . 1 1 12 12 ALA H H 12 7.898 7.898 8.061 -0.163 18358 1654 1 14 . 1 1 13 13 CYS N N 13 113.951 113.951 109.325 4.626 18358 1655 1 14 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.373 0.214 18358 1656 1 14 . 1 1 13 13 CYS H H 13 8.394 8.394 7.792 0.602 18358 1657 1 14 . 1 1 14 14 ALA N N 14 124.346 124.346 125.834 -1.488 18358 1658 1 14 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.973 0.054 18358 1659 1 14 . 1 1 14 14 ALA H H 14 7.549 7.549 7.869 -0.320 18358 1660 1 14 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.479 -0.276 18358 1661 1 14 . 1 1 16 16 ALA N N 16 124.554 124.554 120.419 4.135 18358 1662 1 14 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.343 -0.268 18358 1663 1 14 . 1 1 16 16 ALA H H 16 8.570 8.570 7.667 0.903 18358 1664 1 14 . 1 1 17 17 ILE N N 17 119.462 119.462 121.541 -2.079 18358 1665 1 14 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.596 -0.180 18358 1666 1 14 . 1 1 17 17 ILE H H 17 8.475 8.475 8.183 0.292 18358 1667 1 14 . 1 1 18 18 ALA N N 18 121.295 121.295 121.633 -0.338 18358 1668 1 14 . 1 1 18 18 ALA HA H 18 4.069 4.069 3.988 0.081 18358 1669 1 14 . 1 1 18 18 ALA H H 18 8.288 8.288 7.479 0.809 18358 1670 1 14 . 1 1 19 19 GLY N N 19 105.669 105.669 104.776 0.893 18358 1671 1 14 . 1 1 19 19 GLY H H 19 8.399 8.399 8.326 0.073 18358 1672 1 14 . 1 1 20 20 ALA N N 20 127.175 127.175 124.499 2.676 18358 1673 1 14 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.211 -0.130 18358 1674 1 14 . 1 1 20 20 ALA H H 20 7.972 7.972 7.641 0.331 18358 1675 1 14 . 1 1 21 21 VAL N N 21 118.978 118.978 119.726 -0.748 18358 1676 1 14 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.788 -0.423 18358 1677 1 14 . 1 1 21 21 VAL H H 21 8.435 8.435 7.618 0.817 18358 1678 1 14 . 1 1 22 22 ALA N N 22 121.005 121.005 120.420 0.585 18358 1679 1 14 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.160 -0.086 18358 1680 1 14 . 1 1 22 22 ALA H H 22 7.835 7.835 7.750 0.085 18358 1681 1 14 . 1 1 23 23 ALA N N 23 121.200 121.200 121.175 0.025 18358 1682 1 14 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.191 -0.128 18358 1683 1 14 . 1 1 23 23 ALA H H 23 8.062 8.062 7.615 0.447 18358 1684 1 14 . 1 1 24 24 CYS N N 24 114.529 114.529 116.344 -1.815 18358 1685 1 14 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.452 0.036 18358 1686 1 14 . 1 1 24 24 CYS H H 24 8.045 8.045 8.300 -0.255 18358 1687 1 14 . 1 1 25 25 GLY N N 25 109.695 109.695 108.325 1.370 18358 1688 1 14 . 1 1 25 25 GLY H H 25 7.916 7.916 8.193 -0.277 18358 1689 1 14 . 1 1 26 26 GLY N N 26 107.481 107.481 107.809 -0.328 18358 1690 1 14 . 1 1 26 26 GLY H H 26 8.056 8.056 8.046 0.010 18358 1691 1 14 . 1 1 27 27 ILE N N 27 117.952 117.952 121.131 -3.179 18358 1692 1 14 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.374 -0.629 18358 1693 1 14 . 1 1 27 27 ILE H H 27 8.342 8.342 8.421 -0.079 18358 1694 1 14 . 1 1 28 28 ASP N N 28 128.285 128.285 127.262 1.023 18358 1695 1 14 . 1 1 28 28 ASP H H 28 7.060 7.060 8.724 -1.664 18358 1696 1 14 . 1 1 29 29 LEU N N 29 124.546 124.546 117.233 7.313 18358 1697 1 14 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.540 -0.538 18358 1698 1 14 . 1 1 29 29 LEU H H 29 8.907 8.907 8.324 0.583 18358 1699 1 14 . 1 1 31 31 CYS N N 31 117.630 117.630 112.456 5.174 18358 1700 1 14 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.528 -0.361 18358 1701 1 14 . 1 1 31 31 CYS H H 31 7.340 7.340 8.517 -1.177 18358 1702 1 14 . 1 1 32 32 VAL N N 32 124.340 124.340 121.786 2.554 18358 1703 1 14 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.813 -0.635 18358 1704 1 14 . 1 1 32 32 VAL H H 32 8.718 8.718 7.428 1.290 18358 1705 1 14 . 1 1 33 33 LEU N N 33 117.743 117.743 119.522 -1.779 18358 1706 1 14 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.974 -0.282 18358 1707 1 14 . 1 1 33 33 LEU H H 33 8.512 8.512 8.540 -0.028 18358 1708 1 14 . 1 1 34 34 ALA N N 34 120.707 120.707 120.153 0.554 18358 1709 1 14 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.117 -0.050 18358 1710 1 14 . 1 1 34 34 ALA H H 34 7.508 7.508 7.390 0.118 18358 1711 1 14 . 1 1 35 35 ALA N N 35 121.539 121.539 120.426 1.113 18358 1712 1 14 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.358 -0.184 18358 1713 1 14 . 1 1 35 35 ALA H H 35 7.765 7.765 7.572 0.193 18358 1714 1 14 . 1 1 36 36 LEU N N 36 116.961 116.961 119.082 -2.121 18358 1715 1 14 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.237 -0.030 18358 1716 1 14 . 1 1 36 36 LEU H H 36 8.322 8.322 7.727 0.595 18358 1717 1 14 . 1 1 37 37 LYS N N 37 121.909 121.909 119.194 2.715 18358 1718 1 14 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.287 -0.299 18358 1719 1 14 . 1 1 37 37 LYS H H 37 7.335 7.335 7.420 -0.085 18358 1720 1 14 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.074 0.716 18358 1721 1 14 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.357 -0.372 18358 1722 1 14 . 1 1 45 45 CYS N N 45 118.951 118.951 118.538 0.413 18358 1723 1 14 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.697 -0.356 18358 1724 1 14 . 1 1 45 45 CYS H H 45 7.104 7.104 7.702 -0.598 18358 1725 1 14 . 1 1 46 46 PHE N N 46 120.196 120.196 121.525 -1.329 18358 1726 1 14 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.451 0.148 18358 1727 1 14 . 1 1 46 46 PHE H H 46 7.984 7.984 7.671 0.313 18358 1728 1 14 . 1 1 47 47 CYS N N 47 115.827 115.827 117.103 -1.276 18358 1729 1 14 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.584 -0.265 18358 1730 1 14 . 1 1 47 47 CYS H H 47 8.773 8.773 8.203 0.570 18358 1731 1 14 . 1 1 48 48 GLU N N 48 117.841 117.841 120.752 -2.911 18358 1732 1 14 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.131 -0.202 18358 1733 1 14 . 1 1 48 48 GLU H H 48 7.775 7.775 7.733 0.042 18358 1734 1 14 . 1 1 49 49 ASP N N 49 116.149 116.149 115.531 0.618 18358 1735 1 14 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.622 -0.132 18358 1736 1 14 . 1 1 49 49 ASP H H 49 6.791 6.791 8.287 -1.496 18358 1737 1 14 . 1 1 50 50 HIS N N 50 121.887 121.887 119.396 2.491 18358 1738 1 14 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.807 -0.324 18358 1739 1 14 . 1 1 50 50 HIS H H 50 7.016 7.016 7.898 -0.882 18358 1740 1 14 . 1 1 51 51 CYS N N 51 118.443 118.443 118.331 0.112 18358 1741 1 14 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.562 -0.072 18358 1742 1 14 . 1 1 51 51 CYS H H 51 8.059 8.059 8.171 -0.112 18358 1743 1 14 . 1 1 52 52 HIS N N 52 123.835 123.835 116.962 6.873 18358 1744 1 14 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.791 -0.210 18358 1745 1 14 . 1 1 52 52 HIS H H 52 8.294 8.294 7.524 0.770 18358 1746 1 14 . 1 1 54 54 VAL HA H 54 4.013 4.013 4.134 -0.121 18358 1747 1 14 . 1 1 55 55 CYS N N 55 116.926 116.926 118.060 -1.134 18358 1748 1 14 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.144 0.085 18358 1749 1 14 . 1 1 55 55 CYS H H 55 7.314 7.314 7.988 -0.674 18358 1750 1 14 . 1 1 56 56 LYS N N 56 117.865 117.865 117.687 0.178 18358 1751 1 14 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.179 -0.064 18358 1752 1 14 . 1 1 56 56 LYS H H 56 6.427 6.427 7.896 -1.469 18358 1753 1 14 . 1 1 57 57 ASP N N 57 122.411 122.411 120.830 1.581 18358 1754 1 14 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.461 -0.355 18358 1755 1 14 . 1 1 57 57 ASP H H 57 8.415 8.415 7.526 0.889 18358 1756 1 14 . 1 1 58 58 LEU N N 58 115.608 115.608 121.513 -5.905 18358 1757 1 14 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.523 -0.311 18358 1758 1 14 . 1 1 58 58 LEU H H 58 7.593 7.593 7.732 -0.139 18358 1759 1 14 . 1 1 59 59 HIS N N 59 113.919 113.919 122.251 -8.332 18358 1760 1 14 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.418 -0.102 18358 1761 1 14 . 1 1 59 59 HIS H H 59 7.866 7.866 8.062 -0.196 18358 1762 1 14 . 1 1 60 60 LEU N N 60 116.798 116.798 125.190 -8.392 18358 1763 1 14 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.403 -0.112 18358 1764 1 14 . 1 1 60 60 LEU H H 60 7.762 7.762 8.307 -0.545 18358 1765 1 15 . 1 1 8 8 LEU N N 8 117.542 117.542 120.672 -3.130 18358 1766 1 15 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.300 -0.179 18358 1767 1 15 . 1 1 8 8 LEU H H 8 7.735 7.735 7.807 -0.072 18358 1768 1 15 . 1 1 9 9 LYS N N 9 123.335 123.335 118.289 5.046 18358 1769 1 15 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.317 -0.239 18358 1770 1 15 . 1 1 9 9 LYS H H 9 7.831 7.831 8.444 -0.613 18358 1771 1 15 . 1 1 10 10 LYS N N 10 121.522 121.522 119.014 2.508 18358 1772 1 15 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.152 -0.495 18358 1773 1 15 . 1 1 10 10 LYS H H 10 8.627 8.627 7.472 1.155 18358 1774 1 15 . 1 1 11 11 VAL N N 11 117.576 117.576 118.979 -1.403 18358 1775 1 15 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.884 -0.151 18358 1776 1 15 . 1 1 11 11 VAL H H 11 7.491 7.491 7.765 -0.274 18358 1777 1 15 . 1 1 12 12 ALA N N 12 123.018 123.018 121.878 1.140 18358 1778 1 15 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.308 -0.177 18358 1779 1 15 . 1 1 12 12 ALA H H 12 7.898 7.898 7.673 0.225 18358 1780 1 15 . 1 1 13 13 CYS N N 13 113.951 113.951 115.902 -1.951 18358 1781 1 15 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.267 0.320 18358 1782 1 15 . 1 1 13 13 CYS H H 13 8.394 8.394 7.718 0.676 18358 1783 1 15 . 1 1 14 14 ALA N N 14 124.346 124.346 123.636 0.710 18358 1784 1 15 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.074 -0.047 18358 1785 1 15 . 1 1 14 14 ALA H H 14 7.549 7.549 7.761 -0.212 18358 1786 1 15 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.322 -0.119 18358 1787 1 15 . 1 1 16 16 ALA N N 16 124.554 124.554 119.326 5.228 18358 1788 1 15 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.550 -0.475 18358 1789 1 15 . 1 1 16 16 ALA H H 16 8.570 8.570 7.426 1.144 18358 1790 1 15 . 1 1 17 17 ILE N N 17 119.462 119.462 119.535 -0.073 18358 1791 1 15 . 1 1 17 17 ILE HA H 17 3.416 3.416 4.118 -0.702 18358 1792 1 15 . 1 1 17 17 ILE H H 17 8.475 8.475 7.725 0.750 18358 1793 1 15 . 1 1 18 18 ALA N N 18 121.295 121.295 122.336 -1.041 18358 1794 1 15 . 1 1 18 18 ALA HA H 18 4.069 4.069 3.979 0.090 18358 1795 1 15 . 1 1 18 18 ALA H H 18 8.288 8.288 7.557 0.731 18358 1796 1 15 . 1 1 19 19 GLY N N 19 105.669 105.669 104.191 1.478 18358 1797 1 15 . 1 1 19 19 GLY H H 19 8.399 8.399 8.673 -0.274 18358 1798 1 15 . 1 1 20 20 ALA N N 20 127.175 127.175 123.527 3.648 18358 1799 1 15 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.230 -0.149 18358 1800 1 15 . 1 1 20 20 ALA H H 20 7.972 7.972 7.535 0.437 18358 1801 1 15 . 1 1 21 21 VAL N N 21 118.978 118.978 120.593 -1.615 18358 1802 1 15 . 1 1 21 21 VAL HA H 21 3.365 3.365 4.001 -0.636 18358 1803 1 15 . 1 1 21 21 VAL H H 21 8.435 8.435 7.539 0.896 18358 1804 1 15 . 1 1 22 22 ALA N N 22 121.005 121.005 121.082 -0.077 18358 1805 1 15 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.144 -0.070 18358 1806 1 15 . 1 1 22 22 ALA H H 22 7.835 7.835 7.559 0.276 18358 1807 1 15 . 1 1 23 23 ALA N N 23 121.200 121.200 120.480 0.720 18358 1808 1 15 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.165 -0.102 18358 1809 1 15 . 1 1 23 23 ALA H H 23 8.062 8.062 7.734 0.328 18358 1810 1 15 . 1 1 24 24 CYS N N 24 114.529 114.529 115.707 -1.178 18358 1811 1 15 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.538 -0.050 18358 1812 1 15 . 1 1 24 24 CYS H H 24 8.045 8.045 8.310 -0.265 18358 1813 1 15 . 1 1 25 25 GLY N N 25 109.695 109.695 108.819 0.876 18358 1814 1 15 . 1 1 25 25 GLY H H 25 7.916 7.916 8.155 -0.239 18358 1815 1 15 . 1 1 26 26 GLY N N 26 107.481 107.481 107.726 -0.245 18358 1816 1 15 . 1 1 26 26 GLY H H 26 8.056 8.056 8.001 0.055 18358 1817 1 15 . 1 1 27 27 ILE N N 27 117.952 117.952 120.252 -2.300 18358 1818 1 15 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.550 -0.805 18358 1819 1 15 . 1 1 27 27 ILE H H 27 8.342 8.342 8.256 0.086 18358 1820 1 15 . 1 1 28 28 ASP N N 28 128.285 128.285 128.922 -0.637 18358 1821 1 15 . 1 1 28 28 ASP H H 28 7.060 7.060 8.925 -1.865 18358 1822 1 15 . 1 1 29 29 LEU N N 29 124.546 124.546 117.083 7.463 18358 1823 1 15 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.611 -0.609 18358 1824 1 15 . 1 1 29 29 LEU H H 29 8.907 8.907 8.350 0.557 18358 1825 1 15 . 1 1 31 31 CYS N N 31 117.630 117.630 113.374 4.256 18358 1826 1 15 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.546 -0.379 18358 1827 1 15 . 1 1 31 31 CYS H H 31 7.340 7.340 8.526 -1.186 18358 1828 1 15 . 1 1 32 32 VAL N N 32 124.340 124.340 122.350 1.990 18358 1829 1 15 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.906 -0.728 18358 1830 1 15 . 1 1 32 32 VAL H H 32 8.718 8.718 7.572 1.146 18358 1831 1 15 . 1 1 33 33 LEU N N 33 117.743 117.743 120.939 -3.196 18358 1832 1 15 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.044 -0.352 18358 1833 1 15 . 1 1 33 33 LEU H H 33 8.512 8.512 8.111 0.401 18358 1834 1 15 . 1 1 34 34 ALA N N 34 120.707 120.707 121.186 -0.479 18358 1835 1 15 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.007 0.060 18358 1836 1 15 . 1 1 34 34 ALA H H 34 7.508 7.508 7.571 -0.063 18358 1837 1 15 . 1 1 35 35 ALA N N 35 121.539 121.539 119.166 2.373 18358 1838 1 15 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.191 -0.017 18358 1839 1 15 . 1 1 35 35 ALA H H 35 7.765 7.765 8.182 -0.417 18358 1840 1 15 . 1 1 36 36 LEU N N 36 116.961 116.961 117.507 -0.546 18358 1841 1 15 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.280 -0.073 18358 1842 1 15 . 1 1 36 36 LEU H H 36 8.322 8.322 7.542 0.780 18358 1843 1 15 . 1 1 37 37 LYS N N 37 121.909 121.909 120.426 1.483 18358 1844 1 15 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.399 -0.411 18358 1845 1 15 . 1 1 37 37 LYS H H 37 7.335 7.335 7.324 0.011 18358 1846 1 15 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.140 0.650 18358 1847 1 15 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.142 -0.157 18358 1848 1 15 . 1 1 45 45 CYS N N 45 118.951 118.951 118.888 0.063 18358 1849 1 15 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.651 -0.310 18358 1850 1 15 . 1 1 45 45 CYS H H 45 7.104 7.104 7.588 -0.484 18358 1851 1 15 . 1 1 46 46 PHE N N 46 120.196 120.196 123.291 -3.095 18358 1852 1 15 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.352 0.247 18358 1853 1 15 . 1 1 46 46 PHE H H 46 7.984 7.984 8.045 -0.061 18358 1854 1 15 . 1 1 47 47 CYS N N 47 115.827 115.827 117.135 -1.308 18358 1855 1 15 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.373 -0.054 18358 1856 1 15 . 1 1 47 47 CYS H H 47 8.773 8.773 8.035 0.738 18358 1857 1 15 . 1 1 48 48 GLU N N 48 117.841 117.841 121.202 -3.361 18358 1858 1 15 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.041 -0.112 18358 1859 1 15 . 1 1 48 48 GLU H H 48 7.775 7.775 7.516 0.259 18358 1860 1 15 . 1 1 49 49 ASP N N 49 116.149 116.149 115.266 0.883 18358 1861 1 15 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.606 -0.116 18358 1862 1 15 . 1 1 49 49 ASP H H 49 6.791 6.791 8.064 -1.273 18358 1863 1 15 . 1 1 50 50 HIS N N 50 121.887 121.887 119.815 2.072 18358 1864 1 15 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.568 -0.085 18358 1865 1 15 . 1 1 50 50 HIS H H 50 7.016 7.016 7.791 -0.775 18358 1866 1 15 . 1 1 51 51 CYS N N 51 118.443 118.443 117.669 0.774 18358 1867 1 15 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.785 -0.295 18358 1868 1 15 . 1 1 51 51 CYS H H 51 8.059 8.059 7.779 0.280 18358 1869 1 15 . 1 1 52 52 HIS N N 52 123.835 123.835 115.480 8.355 18358 1870 1 15 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.656 -0.075 18358 1871 1 15 . 1 1 52 52 HIS H H 52 8.294 8.294 7.243 1.051 18358 1872 1 15 . 1 1 54 54 VAL HA H 54 4.013 4.013 4.086 -0.073 18358 1873 1 15 . 1 1 55 55 CYS N N 55 116.926 116.926 119.254 -2.328 18358 1874 1 15 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.252 -0.023 18358 1875 1 15 . 1 1 55 55 CYS H H 55 7.314 7.314 7.790 -0.476 18358 1876 1 15 . 1 1 56 56 LYS N N 56 117.865 117.865 120.079 -2.214 18358 1877 1 15 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.140 -0.025 18358 1878 1 15 . 1 1 56 56 LYS H H 56 6.427 6.427 7.574 -1.147 18358 1879 1 15 . 1 1 57 57 ASP N N 57 122.411 122.411 118.733 3.678 18358 1880 1 15 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.517 -0.411 18358 1881 1 15 . 1 1 57 57 ASP H H 57 8.415 8.415 7.796 0.619 18358 1882 1 15 . 1 1 58 58 LEU N N 58 115.608 115.608 120.162 -4.554 18358 1883 1 15 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.123 0.089 18358 1884 1 15 . 1 1 58 58 LEU H H 58 7.593 7.593 7.665 -0.072 18358 1885 1 15 . 1 1 59 59 HIS N N 59 113.919 113.919 115.214 -1.295 18358 1886 1 15 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.721 -0.405 18358 1887 1 15 . 1 1 59 59 HIS H H 59 7.866 7.866 8.128 -0.262 18358 1888 1 15 . 1 1 60 60 LEU N N 60 116.798 116.798 115.841 0.957 18358 1889 1 15 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.687 -0.396 18358 1890 1 15 . 1 1 60 60 LEU H H 60 7.762 7.762 8.462 -0.700 18358 1891 1 16 . 1 1 8 8 LEU N N 8 117.542 117.542 123.812 -6.270 18358 1892 1 16 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.277 -0.156 18358 1893 1 16 . 1 1 8 8 LEU H H 8 7.735 7.735 7.749 -0.014 18358 1894 1 16 . 1 1 9 9 LYS N N 9 123.335 123.335 118.584 4.751 18358 1895 1 16 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.342 -0.264 18358 1896 1 16 . 1 1 9 9 LYS H H 9 7.831 7.831 8.434 -0.603 18358 1897 1 16 . 1 1 10 10 LYS N N 10 121.522 121.522 120.634 0.888 18358 1898 1 16 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.078 -0.421 18358 1899 1 16 . 1 1 10 10 LYS H H 10 8.627 8.627 8.310 0.317 18358 1900 1 16 . 1 1 11 11 VAL N N 11 117.576 117.576 118.445 -0.869 18358 1901 1 16 . 1 1 11 11 VAL HA H 11 3.733 3.733 4.182 -0.449 18358 1902 1 16 . 1 1 11 11 VAL H H 11 7.491 7.491 7.671 -0.180 18358 1903 1 16 . 1 1 12 12 ALA N N 12 123.018 123.018 121.739 1.279 18358 1904 1 16 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.025 0.106 18358 1905 1 16 . 1 1 12 12 ALA H H 12 7.898 7.898 7.665 0.233 18358 1906 1 16 . 1 1 13 13 CYS N N 13 113.951 113.951 110.883 3.068 18358 1907 1 16 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.240 0.347 18358 1908 1 16 . 1 1 13 13 CYS H H 13 8.394 8.394 7.981 0.413 18358 1909 1 16 . 1 1 14 14 ALA N N 14 124.346 124.346 121.301 3.045 18358 1910 1 16 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.330 -0.303 18358 1911 1 16 . 1 1 14 14 ALA H H 14 7.549 7.549 7.741 -0.192 18358 1912 1 16 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.421 -0.218 18358 1913 1 16 . 1 1 16 16 ALA N N 16 124.554 124.554 119.934 4.620 18358 1914 1 16 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.164 -0.089 18358 1915 1 16 . 1 1 16 16 ALA H H 16 8.570 8.570 8.533 0.037 18358 1916 1 16 . 1 1 17 17 ILE N N 17 119.462 119.462 117.574 1.888 18358 1917 1 16 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.776 -0.360 18358 1918 1 16 . 1 1 17 17 ILE H H 17 8.475 8.475 7.491 0.984 18358 1919 1 16 . 1 1 18 18 ALA N N 18 121.295 121.295 121.490 -0.195 18358 1920 1 16 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.046 0.023 18358 1921 1 16 . 1 1 18 18 ALA H H 18 8.288 8.288 7.556 0.732 18358 1922 1 16 . 1 1 19 19 GLY N N 19 105.669 105.669 104.891 0.778 18358 1923 1 16 . 1 1 19 19 GLY H H 19 8.399 8.399 7.945 0.454 18358 1924 1 16 . 1 1 20 20 ALA N N 20 127.175 127.175 122.763 4.412 18358 1925 1 16 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.270 -0.189 18358 1926 1 16 . 1 1 20 20 ALA H H 20 7.972 7.972 7.140 0.832 18358 1927 1 16 . 1 1 21 21 VAL N N 21 118.978 118.978 119.153 -0.175 18358 1928 1 16 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.908 -0.543 18358 1929 1 16 . 1 1 21 21 VAL H H 21 8.435 8.435 7.248 1.187 18358 1930 1 16 . 1 1 22 22 ALA N N 22 121.005 121.005 120.653 0.352 18358 1931 1 16 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.170 -0.096 18358 1932 1 16 . 1 1 22 22 ALA H H 22 7.835 7.835 7.808 0.027 18358 1933 1 16 . 1 1 23 23 ALA N N 23 121.200 121.200 120.946 0.254 18358 1934 1 16 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.163 -0.100 18358 1935 1 16 . 1 1 23 23 ALA H H 23 8.062 8.062 7.734 0.328 18358 1936 1 16 . 1 1 24 24 CYS N N 24 114.529 114.529 116.899 -2.370 18358 1937 1 16 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.443 0.045 18358 1938 1 16 . 1 1 24 24 CYS H H 24 8.045 8.045 7.751 0.294 18358 1939 1 16 . 1 1 25 25 GLY N N 25 109.695 109.695 108.723 0.972 18358 1940 1 16 . 1 1 25 25 GLY H H 25 7.916 7.916 8.067 -0.151 18358 1941 1 16 . 1 1 26 26 GLY N N 26 107.481 107.481 107.464 0.017 18358 1942 1 16 . 1 1 26 26 GLY H H 26 8.056 8.056 8.120 -0.064 18358 1943 1 16 . 1 1 27 27 ILE N N 27 117.952 117.952 120.641 -2.689 18358 1944 1 16 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.512 -0.767 18358 1945 1 16 . 1 1 27 27 ILE H H 27 8.342 8.342 8.389 -0.047 18358 1946 1 16 . 1 1 28 28 ASP N N 28 128.285 128.285 128.514 -0.229 18358 1947 1 16 . 1 1 28 28 ASP H H 28 7.060 7.060 8.866 -1.806 18358 1948 1 16 . 1 1 29 29 LEU N N 29 124.546 124.546 119.828 4.718 18358 1949 1 16 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.149 -0.147 18358 1950 1 16 . 1 1 29 29 LEU H H 29 8.907 8.907 8.160 0.747 18358 1951 1 16 . 1 1 31 31 CYS N N 31 117.630 117.630 115.328 2.302 18358 1952 1 16 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.551 -0.384 18358 1953 1 16 . 1 1 31 31 CYS H H 31 7.340 7.340 8.363 -1.023 18358 1954 1 16 . 1 1 32 32 VAL N N 32 124.340 124.340 122.419 1.921 18358 1955 1 16 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.835 -0.657 18358 1956 1 16 . 1 1 32 32 VAL H H 32 8.718 8.718 7.769 0.949 18358 1957 1 16 . 1 1 33 33 LEU N N 33 117.743 117.743 118.039 -0.296 18358 1958 1 16 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.987 -0.295 18358 1959 1 16 . 1 1 33 33 LEU H H 33 8.512 8.512 8.305 0.207 18358 1960 1 16 . 1 1 34 34 ALA N N 34 120.707 120.707 121.648 -0.941 18358 1961 1 16 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.146 -0.079 18358 1962 1 16 . 1 1 34 34 ALA H H 34 7.508 7.508 7.600 -0.092 18358 1963 1 16 . 1 1 35 35 ALA N N 35 121.539 121.539 119.113 2.426 18358 1964 1 16 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.331 -0.157 18358 1965 1 16 . 1 1 35 35 ALA H H 35 7.765 7.765 7.612 0.153 18358 1966 1 16 . 1 1 36 36 LEU N N 36 116.961 116.961 117.362 -0.401 18358 1967 1 16 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.610 -0.403 18358 1968 1 16 . 1 1 36 36 LEU H H 36 8.322 8.322 7.368 0.954 18358 1969 1 16 . 1 1 37 37 LYS N N 37 121.909 121.909 119.935 1.974 18358 1970 1 16 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.940 0.048 18358 1971 1 16 . 1 1 37 37 LYS H H 37 7.335 7.335 7.752 -0.417 18358 1972 1 16 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.057 0.733 18358 1973 1 16 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.428 -0.443 18358 1974 1 16 . 1 1 45 45 CYS N N 45 118.951 118.951 116.343 2.608 18358 1975 1 16 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.588 -0.247 18358 1976 1 16 . 1 1 45 45 CYS H H 45 7.104 7.104 7.950 -0.846 18358 1977 1 16 . 1 1 46 46 PHE N N 46 120.196 120.196 124.019 -3.823 18358 1978 1 16 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.342 0.257 18358 1979 1 16 . 1 1 46 46 PHE H H 46 7.984 7.984 7.933 0.051 18358 1980 1 16 . 1 1 47 47 CYS N N 47 115.827 115.827 118.056 -2.229 18358 1981 1 16 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.682 -0.363 18358 1982 1 16 . 1 1 47 47 CYS H H 47 8.773 8.773 8.139 0.634 18358 1983 1 16 . 1 1 48 48 GLU N N 48 117.841 117.841 122.128 -4.287 18358 1984 1 16 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.240 -0.311 18358 1985 1 16 . 1 1 48 48 GLU H H 48 7.775 7.775 8.062 -0.287 18358 1986 1 16 . 1 1 49 49 ASP N N 49 116.149 116.149 116.433 -0.284 18358 1987 1 16 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.666 -0.176 18358 1988 1 16 . 1 1 49 49 ASP H H 49 6.791 6.791 8.440 -1.649 18358 1989 1 16 . 1 1 50 50 HIS N N 50 121.887 121.887 119.865 2.022 18358 1990 1 16 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.906 -0.423 18358 1991 1 16 . 1 1 50 50 HIS H H 50 7.016 7.016 8.061 -1.045 18358 1992 1 16 . 1 1 51 51 CYS N N 51 118.443 118.443 119.919 -1.476 18358 1993 1 16 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.773 -0.283 18358 1994 1 16 . 1 1 51 51 CYS H H 51 8.059 8.059 8.020 0.039 18358 1995 1 16 . 1 1 52 52 HIS N N 52 123.835 123.835 115.652 8.183 18358 1996 1 16 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.679 -0.098 18358 1997 1 16 . 1 1 52 52 HIS H H 52 8.294 8.294 8.176 0.118 18358 1998 1 16 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.433 0.580 18358 1999 1 16 . 1 1 55 55 CYS N N 55 116.926 116.926 120.222 -3.296 18358 2000 1 16 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.176 0.053 18358 2001 1 16 . 1 1 55 55 CYS H H 55 7.314 7.314 8.364 -1.050 18358 2002 1 16 . 1 1 56 56 LYS N N 56 117.865 117.865 119.981 -2.116 18358 2003 1 16 . 1 1 56 56 LYS HA H 56 4.115 4.115 3.925 0.190 18358 2004 1 16 . 1 1 56 56 LYS H H 56 6.427 6.427 8.348 -1.921 18358 2005 1 16 . 1 1 57 57 ASP N N 57 122.411 122.411 118.064 4.347 18358 2006 1 16 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.367 -0.261 18358 2007 1 16 . 1 1 57 57 ASP H H 57 8.415 8.415 7.577 0.838 18358 2008 1 16 . 1 1 58 58 LEU N N 58 115.608 115.608 117.121 -1.513 18358 2009 1 16 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.380 -0.168 18358 2010 1 16 . 1 1 58 58 LEU H H 58 7.593 7.593 7.363 0.230 18358 2011 1 16 . 1 1 59 59 HIS N N 59 113.919 113.919 117.272 -3.353 18358 2012 1 16 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.318 -0.002 18358 2013 1 16 . 1 1 59 59 HIS H H 59 7.866 7.866 7.883 -0.017 18358 2014 1 16 . 1 1 60 60 LEU N N 60 116.798 116.798 121.212 -4.414 18358 2015 1 16 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.687 -0.396 18358 2016 1 16 . 1 1 60 60 LEU H H 60 7.762 7.762 8.527 -0.765 18358 2017 1 17 . 1 1 8 8 LEU N N 8 117.542 117.542 117.832 -0.290 18358 2018 1 17 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.095 0.026 18358 2019 1 17 . 1 1 8 8 LEU H H 8 7.735 7.735 7.857 -0.122 18358 2020 1 17 . 1 1 9 9 LYS N N 9 123.335 123.335 114.060 9.275 18358 2021 1 17 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.467 -0.389 18358 2022 1 17 . 1 1 9 9 LYS H H 9 7.831 7.831 7.893 -0.062 18358 2023 1 17 . 1 1 10 10 LYS N N 10 121.522 121.522 120.002 1.520 18358 2024 1 17 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.410 -0.753 18358 2025 1 17 . 1 1 10 10 LYS H H 10 8.627 8.627 7.837 0.790 18358 2026 1 17 . 1 1 11 11 VAL N N 11 117.576 117.576 118.837 -1.261 18358 2027 1 17 . 1 1 11 11 VAL HA H 11 3.733 3.733 4.247 -0.514 18358 2028 1 17 . 1 1 11 11 VAL H H 11 7.491 7.491 7.768 -0.277 18358 2029 1 17 . 1 1 12 12 ALA N N 12 123.018 123.018 124.699 -1.681 18358 2030 1 17 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.070 0.061 18358 2031 1 17 . 1 1 12 12 ALA H H 12 7.898 7.898 8.405 -0.507 18358 2032 1 17 . 1 1 13 13 CYS N N 13 113.951 113.951 113.973 -0.022 18358 2033 1 17 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.373 0.214 18358 2034 1 17 . 1 1 13 13 CYS H H 13 8.394 8.394 8.339 0.055 18358 2035 1 17 . 1 1 14 14 ALA N N 14 124.346 124.346 121.478 2.868 18358 2036 1 17 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.466 -0.439 18358 2037 1 17 . 1 1 14 14 ALA H H 14 7.549 7.549 7.901 -0.352 18358 2038 1 17 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.344 -0.141 18358 2039 1 17 . 1 1 16 16 ALA N N 16 124.554 124.554 118.550 6.004 18358 2040 1 17 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.386 -0.311 18358 2041 1 17 . 1 1 16 16 ALA H H 16 8.570 8.570 7.627 0.943 18358 2042 1 17 . 1 1 17 17 ILE N N 17 119.462 119.462 117.763 1.699 18358 2043 1 17 . 1 1 17 17 ILE HA H 17 3.416 3.416 4.008 -0.592 18358 2044 1 17 . 1 1 17 17 ILE H H 17 8.475 8.475 7.537 0.938 18358 2045 1 17 . 1 1 18 18 ALA N N 18 121.295 121.295 123.190 -1.895 18358 2046 1 17 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.125 -0.056 18358 2047 1 17 . 1 1 18 18 ALA H H 18 8.288 8.288 7.825 0.463 18358 2048 1 17 . 1 1 19 19 GLY N N 19 105.669 105.669 103.329 2.340 18358 2049 1 17 . 1 1 19 19 GLY H H 19 8.399 8.399 8.511 -0.112 18358 2050 1 17 . 1 1 20 20 ALA N N 20 127.175 127.175 122.597 4.578 18358 2051 1 17 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.677 -0.596 18358 2052 1 17 . 1 1 20 20 ALA H H 20 7.972 7.972 7.582 0.390 18358 2053 1 17 . 1 1 21 21 VAL N N 21 118.978 118.978 121.615 -2.637 18358 2054 1 17 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.606 -0.241 18358 2055 1 17 . 1 1 21 21 VAL H H 21 8.435 8.435 7.338 1.097 18358 2056 1 17 . 1 1 22 22 ALA N N 22 121.005 121.005 119.566 1.439 18358 2057 1 17 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.178 -0.104 18358 2058 1 17 . 1 1 22 22 ALA H H 22 7.835 7.835 8.610 -0.775 18358 2059 1 17 . 1 1 23 23 ALA N N 23 121.200 121.200 120.226 0.974 18358 2060 1 17 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.319 -0.256 18358 2061 1 17 . 1 1 23 23 ALA H H 23 8.062 8.062 7.593 0.469 18358 2062 1 17 . 1 1 24 24 CYS N N 24 114.529 114.529 116.907 -2.378 18358 2063 1 17 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.731 -0.243 18358 2064 1 17 . 1 1 24 24 CYS H H 24 8.045 8.045 7.701 0.344 18358 2065 1 17 . 1 1 25 25 GLY N N 25 109.695 109.695 111.473 -1.778 18358 2066 1 17 . 1 1 25 25 GLY H H 25 7.916 7.916 8.622 -0.706 18358 2067 1 17 . 1 1 26 26 GLY N N 26 107.481 107.481 107.844 -0.363 18358 2068 1 17 . 1 1 26 26 GLY H H 26 8.056 8.056 7.743 0.313 18358 2069 1 17 . 1 1 27 27 ILE N N 27 117.952 117.952 116.500 1.452 18358 2070 1 17 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.112 -0.367 18358 2071 1 17 . 1 1 27 27 ILE H H 27 8.342 8.342 8.105 0.237 18358 2072 1 17 . 1 1 28 28 ASP N N 28 128.285 128.285 126.948 1.337 18358 2073 1 17 . 1 1 28 28 ASP H H 28 7.060 7.060 8.285 -1.225 18358 2074 1 17 . 1 1 29 29 LEU N N 29 124.546 124.546 116.615 7.931 18358 2075 1 17 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.520 -0.518 18358 2076 1 17 . 1 1 29 29 LEU H H 29 8.907 8.907 8.407 0.500 18358 2077 1 17 . 1 1 31 31 CYS N N 31 117.630 117.630 112.370 5.260 18358 2078 1 17 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.634 -0.467 18358 2079 1 17 . 1 1 31 31 CYS H H 31 7.340 7.340 7.913 -0.573 18358 2080 1 17 . 1 1 32 32 VAL N N 32 124.340 124.340 122.731 1.609 18358 2081 1 17 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.850 -0.672 18358 2082 1 17 . 1 1 32 32 VAL H H 32 8.718 8.718 7.726 0.992 18358 2083 1 17 . 1 1 33 33 LEU N N 33 117.743 117.743 120.700 -2.957 18358 2084 1 17 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.995 -0.303 18358 2085 1 17 . 1 1 33 33 LEU H H 33 8.512 8.512 7.905 0.607 18358 2086 1 17 . 1 1 34 34 ALA N N 34 120.707 120.707 120.092 0.615 18358 2087 1 17 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.198 -0.131 18358 2088 1 17 . 1 1 34 34 ALA H H 34 7.508 7.508 7.531 -0.023 18358 2089 1 17 . 1 1 35 35 ALA N N 35 121.539 121.539 118.741 2.798 18358 2090 1 17 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.460 -0.286 18358 2091 1 17 . 1 1 35 35 ALA H H 35 7.765 7.765 7.609 0.156 18358 2092 1 17 . 1 1 36 36 LEU N N 36 116.961 116.961 121.545 -4.584 18358 2093 1 17 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.568 -0.361 18358 2094 1 17 . 1 1 36 36 LEU H H 36 8.322 8.322 7.496 0.826 18358 2095 1 17 . 1 1 37 37 LYS N N 37 121.909 121.909 121.914 -0.005 18358 2096 1 17 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.291 -0.303 18358 2097 1 17 . 1 1 37 37 LYS H H 37 7.335 7.335 7.719 -0.384 18358 2098 1 17 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.613 0.177 18358 2099 1 17 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.800 -0.815 18358 2100 1 17 . 1 1 45 45 CYS N N 45 118.951 118.951 116.582 2.369 18358 2101 1 17 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.567 -0.226 18358 2102 1 17 . 1 1 45 45 CYS H H 45 7.104 7.104 8.427 -1.323 18358 2103 1 17 . 1 1 46 46 PHE N N 46 120.196 120.196 123.164 -2.968 18358 2104 1 17 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.608 -0.009 18358 2105 1 17 . 1 1 46 46 PHE H H 46 7.984 7.984 7.632 0.352 18358 2106 1 17 . 1 1 47 47 CYS N N 47 115.827 115.827 118.961 -3.134 18358 2107 1 17 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.468 -0.149 18358 2108 1 17 . 1 1 47 47 CYS H H 47 8.773 8.773 8.302 0.471 18358 2109 1 17 . 1 1 48 48 GLU N N 48 117.841 117.841 122.357 -4.516 18358 2110 1 17 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.220 -0.291 18358 2111 1 17 . 1 1 48 48 GLU H H 48 7.775 7.775 7.825 -0.050 18358 2112 1 17 . 1 1 49 49 ASP N N 49 116.149 116.149 116.185 -0.036 18358 2113 1 17 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.525 -0.035 18358 2114 1 17 . 1 1 49 49 ASP H H 49 6.791 6.791 8.292 -1.501 18358 2115 1 17 . 1 1 50 50 HIS N N 50 121.887 121.887 119.081 2.806 18358 2116 1 17 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.905 -0.422 18358 2117 1 17 . 1 1 50 50 HIS H H 50 7.016 7.016 8.015 -0.999 18358 2118 1 17 . 1 1 51 51 CYS N N 51 118.443 118.443 119.042 -0.599 18358 2119 1 17 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.811 -0.321 18358 2120 1 17 . 1 1 51 51 CYS H H 51 8.059 8.059 7.807 0.252 18358 2121 1 17 . 1 1 52 52 HIS N N 52 123.835 123.835 120.949 2.886 18358 2122 1 17 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.565 0.016 18358 2123 1 17 . 1 1 52 52 HIS H H 52 8.294 8.294 8.489 -0.195 18358 2124 1 17 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.476 0.537 18358 2125 1 17 . 1 1 55 55 CYS N N 55 116.926 116.926 121.254 -4.328 18358 2126 1 17 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.152 0.077 18358 2127 1 17 . 1 1 55 55 CYS H H 55 7.314 7.314 8.285 -0.971 18358 2128 1 17 . 1 1 56 56 LYS N N 56 117.865 117.865 118.743 -0.878 18358 2129 1 17 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.204 -0.089 18358 2130 1 17 . 1 1 56 56 LYS H H 56 6.427 6.427 7.807 -1.380 18358 2131 1 17 . 1 1 57 57 ASP N N 57 122.411 122.411 120.096 2.315 18358 2132 1 17 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.478 -0.372 18358 2133 1 17 . 1 1 57 57 ASP H H 57 8.415 8.415 7.596 0.819 18358 2134 1 17 . 1 1 58 58 LEU N N 58 115.608 115.608 118.115 -2.507 18358 2135 1 17 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.376 -0.164 18358 2136 1 17 . 1 1 58 58 LEU H H 58 7.593 7.593 7.507 0.086 18358 2137 1 17 . 1 1 59 59 HIS N N 59 113.919 113.919 117.166 -3.247 18358 2138 1 17 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.279 0.037 18358 2139 1 17 . 1 1 59 59 HIS H H 59 7.866 7.866 7.910 -0.044 18358 2140 1 17 . 1 1 60 60 LEU N N 60 116.798 116.798 116.695 0.103 18358 2141 1 17 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.834 -0.543 18358 2142 1 17 . 1 1 60 60 LEU H H 60 7.762 7.762 8.108 -0.346 18358 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 42 2.874 -0.002 2.909 18358 2 1 1 "Average Difference" HA 47 0.277 0.139 0.242 18358 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18358 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18358 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18358 6 1 1 "Average Difference" HN 42 0.697 0.019 0.705 18358 7 1 2 "Average Difference" N 42 3.110 -0.572 3.094 18358 8 1 2 "Average Difference" HA 47 0.339 0.128 0.317 18358 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18358 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18358 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18358 12 1 2 "Average Difference" HN 42 0.696 -0.028 0.703 18358 13 1 3 "Average Difference" N 42 2.991 -0.506 2.984 18358 14 1 3 "Average Difference" HA 47 0.351 0.178 0.306 18358 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18358 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18358 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18358 18 1 3 "Average Difference" HN 42 0.739 0.024 0.748 18358 19 1 4 "Average Difference" N 42 3.546 -0.722 3.514 18358 20 1 4 "Average Difference" HA 47 0.349 0.138 0.324 18358 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18358 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18358 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18358 24 1 4 "Average Difference" HN 42 0.697 0.033 0.705 18358 25 1 5 "Average Difference" N 42 3.145 -0.161 3.179 18358 26 1 5 "Average Difference" HA 47 0.325 0.133 0.299 18358 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18358 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18358 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18358 30 1 5 "Average Difference" HN 42 0.714 -0.002 0.722 18358 31 1 6 "Average Difference" N 42 2.928 -0.258 2.952 18358 32 1 6 "Average Difference" HA 47 0.328 0.179 0.279 18358 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18358 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18358 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18358 36 1 6 "Average Difference" HN 42 0.683 0.063 0.688 18358 37 1 7 "Average Difference" N 42 2.871 -0.446 2.870 18358 38 1 7 "Average Difference" HA 47 0.302 0.086 0.293 18358 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18358 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18358 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18358 42 1 7 "Average Difference" HN 42 0.699 0.010 0.707 18358 43 1 8 "Average Difference" N 42 3.764 -0.238 3.802 18358 44 1 8 "Average Difference" HA 47 0.322 0.139 0.294 18358 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18358 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18358 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18358 48 1 8 "Average Difference" HN 42 0.741 0.029 0.749 18358 49 1 9 "Average Difference" N 42 3.029 -0.217 3.058 18358 50 1 9 "Average Difference" HA 47 0.343 0.156 0.309 18358 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18358 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18358 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18358 54 1 9 "Average Difference" HN 42 0.639 0.005 0.647 18358 55 1 10 "Average Difference" N 42 2.597 -0.431 2.592 18358 56 1 10 "Average Difference" HA 47 0.321 0.133 0.296 18358 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18358 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18358 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18358 60 1 10 "Average Difference" HN 42 0.639 0.001 0.647 18358 61 1 11 "Average Difference" N 42 2.709 -0.282 2.727 18358 62 1 11 "Average Difference" HA 47 0.346 0.161 0.310 18358 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18358 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18358 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18358 66 1 11 "Average Difference" HN 42 0.733 -0.047 0.740 18358 67 1 12 "Average Difference" N 42 2.710 -0.641 2.665 18358 68 1 12 "Average Difference" HA 47 0.324 0.193 0.264 18358 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18358 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18358 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18358 72 1 12 "Average Difference" HN 42 0.689 -0.003 0.697 18358 73 1 13 "Average Difference" N 42 2.649 -0.387 2.653 18358 74 1 13 "Average Difference" HA 47 0.346 0.119 0.328 18358 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18358 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18358 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18358 78 1 13 "Average Difference" HN 42 0.664 0.004 0.672 18358 79 1 14 "Average Difference" N 42 3.365 -0.321 3.390 18358 80 1 14 "Average Difference" HA 47 0.309 0.141 0.277 18358 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18358 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18358 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18358 84 1 14 "Average Difference" HN 42 0.671 0.009 0.679 18358 85 1 15 "Average Difference" N 42 2.869 -0.468 2.865 18358 86 1 15 "Average Difference" HA 47 0.339 0.151 0.307 18358 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18358 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18358 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18358 90 1 15 "Average Difference" HN 42 0.696 -0.045 0.703 18358 91 1 16 "Average Difference" N 42 2.969 -0.371 2.982 18358 92 1 16 "Average Difference" HA 47 0.332 0.128 0.310 18358 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18358 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18358 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18358 96 1 16 "Average Difference" HN 42 0.738 0.034 0.746 18358 97 1 17 "Average Difference" N 42 3.188 -0.479 3.190 18358 98 1 17 "Average Difference" HA 47 0.363 0.218 0.293 18358 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18358 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18358 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18358 102 1 17 "Average Difference" HN 42 0.680 0.020 0.688 18358 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 18358 _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 8 8 LEU N N 8 117.542 117.542 118.932 -1.390 18358 2 1 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.284 -0.163 18358 3 1 . 1 1 8 8 LEU H H 8 7.735 7.735 7.891 -0.156 18358 4 1 . 1 1 9 9 LYS N N 9 123.335 123.335 117.893 5.442 18358 5 1 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.306 -0.228 18358 6 1 . 1 1 9 9 LYS H H 9 7.831 7.831 8.099 -0.268 18358 7 1 . 1 1 10 10 LYS N N 10 121.522 121.522 119.311 2.211 18358 8 1 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.284 -0.627 18358 9 1 . 1 1 10 10 LYS H H 10 8.627 8.627 7.711 0.916 18358 10 1 . 1 1 11 11 VAL N N 11 117.576 117.576 118.663 -1.087 18358 11 1 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.888 -0.155 18358 12 1 . 1 1 11 11 VAL H H 11 7.491 7.491 7.815 -0.324 18358 13 1 . 1 1 12 12 ALA N N 12 123.018 123.018 120.950 2.068 18358 14 1 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.087 0.044 18358 15 1 . 1 1 12 12 ALA H H 12 7.898 7.898 7.969 -0.071 18358 16 1 . 1 1 13 13 CYS N N 13 113.951 113.951 111.553 2.398 18358 17 1 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.196 0.391 18358 18 1 . 1 1 13 13 CYS H H 13 8.394 8.394 8.094 0.300 18358 19 1 . 1 1 14 14 ALA N N 14 124.346 124.346 123.174 1.172 18358 20 1 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.205 -0.178 18358 21 1 . 1 1 14 14 ALA H H 14 7.549 7.549 7.824 -0.275 18358 22 1 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.308 -0.105 18358 23 1 . 1 1 16 16 ALA N N 16 124.554 124.554 120.443 4.111 18358 24 1 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.333 -0.258 18358 25 1 . 1 1 16 16 ALA H H 16 8.570 8.570 7.790 0.780 18358 26 1 . 1 1 17 17 ILE N N 17 119.462 119.462 119.282 0.180 18358 27 1 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.796 -0.380 18358 28 1 . 1 1 17 17 ILE H H 17 8.475 8.475 7.845 0.630 18358 29 1 . 1 1 18 18 ALA N N 18 121.295 121.295 121.342 -0.047 18358 30 1 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.099 -0.030 18358 31 1 . 1 1 18 18 ALA H H 18 8.288 8.288 7.790 0.498 18358 32 1 . 1 1 19 19 GLY N N 19 105.669 105.669 105.063 0.606 18358 33 1 . 1 1 19 19 GLY H H 19 8.399 8.399 7.907 0.492 18358 34 1 . 1 1 20 20 ALA N N 20 127.175 127.175 123.905 3.270 18358 35 1 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.311 -0.230 18358 36 1 . 1 1 20 20 ALA H H 20 7.972 7.972 7.546 0.426 18358 37 1 . 1 1 21 21 VAL N N 21 118.978 118.978 119.708 -0.730 18358 38 1 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.757 -0.392 18358 39 1 . 1 1 21 21 VAL H H 21 8.435 8.435 7.662 0.773 18358 40 1 . 1 1 22 22 ALA N N 22 121.005 121.005 120.863 0.142 18358 41 1 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.113 -0.039 18358 42 1 . 1 1 22 22 ALA H H 22 7.835 7.835 7.745 0.090 18358 43 1 . 1 1 23 23 ALA N N 23 121.200 121.200 120.202 0.998 18358 44 1 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.161 -0.098 18358 45 1 . 1 1 23 23 ALA H H 23 8.062 8.062 7.720 0.342 18358 46 1 . 1 1 24 24 CYS N N 24 114.529 114.529 116.242 -1.713 18358 47 1 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.564 -0.076 18358 48 1 . 1 1 24 24 CYS H H 24 8.045 8.045 7.882 0.163 18358 49 1 . 1 1 25 25 GLY N N 25 109.695 109.695 109.383 0.312 18358 50 1 . 1 1 25 25 GLY H H 25 7.916 7.916 8.025 -0.109 18358 51 1 . 1 1 26 26 GLY N N 26 107.481 107.481 108.209 -0.728 18358 52 1 . 1 1 26 26 GLY H H 26 8.056 8.056 7.918 0.138 18358 53 1 . 1 1 27 27 ILE N N 27 117.952 117.952 120.047 -2.095 18358 54 1 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.354 -0.609 18358 55 1 . 1 1 27 27 ILE H H 27 8.342 8.342 8.345 -0.003 18358 56 1 . 1 1 28 28 ASP N N 28 128.285 128.285 126.863 1.422 18358 57 1 . 1 1 28 28 ASP H H 28 7.060 7.060 8.588 -1.528 18358 58 1 . 1 1 29 29 LEU N N 29 124.546 124.546 118.187 6.359 18358 59 1 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.583 -0.581 18358 60 1 . 1 1 29 29 LEU H H 29 8.907 8.907 8.204 0.703 18358 61 1 . 1 1 31 31 CYS N N 31 117.630 117.630 114.388 3.242 18358 62 1 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.542 -0.375 18358 63 1 . 1 1 31 31 CYS H H 31 7.340 7.340 8.294 -0.954 18358 64 1 . 1 1 32 32 VAL N N 32 124.340 124.340 121.904 2.436 18358 65 1 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.871 -0.693 18358 66 1 . 1 1 32 32 VAL H H 32 8.718 8.718 7.774 0.944 18358 67 1 . 1 1 33 33 LEU N N 33 117.743 117.743 120.604 -2.861 18358 68 1 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.001 -0.309 18358 69 1 . 1 1 33 33 LEU H H 33 8.512 8.512 8.186 0.326 18358 70 1 . 1 1 34 34 ALA N N 34 120.707 120.707 121.509 -0.802 18358 71 1 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.040 0.027 18358 72 1 . 1 1 34 34 ALA H H 34 7.508 7.508 7.700 -0.192 18358 73 1 . 1 1 35 35 ALA N N 35 121.539 121.539 118.709 2.830 18358 74 1 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.374 -0.200 18358 75 1 . 1 1 35 35 ALA H H 35 7.765 7.765 7.734 0.031 18358 76 1 . 1 1 36 36 LEU N N 36 116.961 116.961 118.659 -1.698 18358 77 1 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.478 -0.271 18358 78 1 . 1 1 36 36 LEU H H 36 8.322 8.322 7.570 0.752 18358 79 1 . 1 1 37 37 LYS N N 37 121.909 121.909 119.438 2.471 18358 80 1 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.224 -0.236 18358 81 1 . 1 1 37 37 LYS H H 37 7.335 7.335 7.748 -0.413 18358 82 1 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.431 0.359 18358 83 1 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.364 -0.379 18358 84 1 . 1 1 45 45 CYS N N 45 118.951 118.951 118.482 0.469 18358 85 1 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.565 -0.224 18358 86 1 . 1 1 45 45 CYS H H 45 7.104 7.104 7.958 -0.854 18358 87 1 . 1 1 46 46 PHE N N 46 120.196 120.196 121.470 -1.274 18358 88 1 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.546 0.053 18358 89 1 . 1 1 46 46 PHE H H 46 7.984 7.984 7.837 0.147 18358 90 1 . 1 1 47 47 CYS N N 47 115.827 115.827 118.411 -2.584 18358 91 1 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.565 -0.246 18358 92 1 . 1 1 47 47 CYS H H 47 8.773 8.773 8.082 0.691 18358 93 1 . 1 1 48 48 GLU N N 48 117.841 117.841 121.717 -3.876 18358 94 1 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.117 -0.188 18358 95 1 . 1 1 48 48 GLU H H 48 7.775 7.775 7.891 -0.116 18358 96 1 . 1 1 49 49 ASP N N 49 116.149 116.149 116.608 -0.459 18358 97 1 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.543 -0.053 18358 98 1 . 1 1 49 49 ASP H H 49 6.791 6.791 8.352 -1.561 18358 99 1 . 1 1 50 50 HIS N N 50 121.887 121.887 118.202 3.685 18358 100 1 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.768 -0.285 18358 101 1 . 1 1 50 50 HIS H H 50 7.016 7.016 7.812 -0.796 18358 102 1 . 1 1 51 51 CYS N N 51 118.443 118.443 121.314 -2.871 18358 103 1 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.696 -0.206 18358 104 1 . 1 1 51 51 CYS H H 51 8.059 8.059 8.250 -0.191 18358 105 1 . 1 1 52 52 HIS N N 52 123.835 123.835 119.397 4.438 18358 106 1 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.653 -0.072 18358 107 1 . 1 1 52 52 HIS H H 52 8.294 8.294 8.100 0.194 18358 108 1 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.773 0.240 18358 109 1 . 1 1 55 55 CYS N N 55 116.926 116.926 118.687 -1.761 18358 110 1 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.222 0.007 18358 111 1 . 1 1 55 55 CYS H H 55 7.314 7.314 8.197 -0.883 18358 112 1 . 1 1 56 56 LYS N N 56 117.865 117.865 119.574 -1.709 18358 113 1 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.141 -0.026 18358 114 1 . 1 1 56 56 LYS H H 56 6.427 6.427 7.827 -1.400 18358 115 1 . 1 1 57 57 ASP N N 57 122.411 122.411 119.801 2.610 18358 116 1 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.429 -0.323 18358 117 1 . 1 1 57 57 ASP H H 57 8.415 8.415 7.697 0.718 18358 118 1 . 1 1 58 58 LEU N N 58 115.608 115.608 118.330 -2.722 18358 119 1 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.340 -0.128 18358 120 1 . 1 1 58 58 LEU H H 58 7.593 7.593 7.529 0.064 18358 121 1 . 1 1 59 59 HIS N N 59 113.919 113.919 117.201 -3.282 18358 122 1 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.382 -0.066 18358 123 1 . 1 1 59 59 HIS H H 59 7.866 7.866 7.780 0.086 18358 124 1 . 1 1 60 60 LEU N N 60 116.798 116.798 119.919 -3.121 18358 125 1 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.629 -0.338 18358 126 1 . 1 1 60 60 LEU H H 60 7.762 7.762 8.185 -0.423 18358 stop_ save_