data_18357 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18357 _Entry.PDB_ID 2LRD 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 18357 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 MET HA H 2 4.779 4.779 4.200 0.579 18357 2 1 1 . 1 1 2 2 MET H H 2 8.721 8.721 8.819 -0.098 18357 3 1 1 . 1 1 3 3 GLY H H 3 8.466 8.466 7.631 0.835 18357 4 1 1 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.428 -0.109 18357 5 1 1 . 1 1 4 4 LYS H H 4 8.312 8.312 8.370 -0.058 18357 6 1 1 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.763 -0.181 18357 7 1 1 . 1 1 5 5 CYS H H 5 8.745 8.745 7.256 1.489 18357 8 1 1 . 1 1 6 6 SER HA H 6 4.505 4.505 4.444 0.061 18357 9 1 1 . 1 1 6 6 SER H H 6 8.457 8.457 8.319 0.138 18357 10 1 1 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.800 -0.060 18357 11 1 1 . 1 1 7 7 VAL H H 7 8.591 8.591 8.542 0.049 18357 12 1 1 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.283 -0.143 18357 13 1 1 . 1 1 8 8 LEU H H 8 7.751 7.751 8.027 -0.276 18357 14 1 1 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.136 -0.032 18357 15 1 1 . 1 1 9 9 LYS H H 9 7.834 7.834 8.382 -0.548 18357 16 1 1 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.223 -0.543 18357 17 1 1 . 1 1 10 10 LYS H H 10 8.602 8.602 7.668 0.934 18357 18 1 1 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.986 -0.219 18357 19 1 1 . 1 1 11 11 VAL H H 11 7.550 7.550 7.469 0.081 18357 20 1 1 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.536 -0.269 18357 21 1 1 . 1 1 12 12 ALA H H 12 7.911 7.911 7.750 0.162 18357 22 1 1 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.173 0.448 18357 23 1 1 . 1 1 13 13 CYS H H 13 8.379 8.379 7.959 0.420 18357 24 1 1 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.154 -0.111 18357 25 1 1 . 1 1 14 14 ALA H H 14 7.595 7.595 8.438 -0.843 18357 26 1 1 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.301 -0.066 18357 27 1 1 . 1 1 15 15 ALA H H 15 8.756 8.756 7.440 1.316 18357 28 1 1 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.119 -0.019 18357 29 1 1 . 1 1 16 16 ALA H H 16 8.587 8.587 7.923 0.664 18357 30 1 1 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.830 0.366 18357 31 1 1 . 1 1 17 17 ILE H H 17 8.505 8.505 8.522 -0.017 18357 32 1 1 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.005 0.077 18357 33 1 1 . 1 1 18 18 ALA H H 18 8.304 8.304 7.552 0.752 18357 34 1 1 . 1 1 19 19 GLY H H 19 8.402 8.402 7.955 0.447 18357 35 1 1 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.176 -0.085 18357 36 1 1 . 1 1 20 20 ALA H H 20 7.985 7.985 7.719 0.266 18357 37 1 1 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.820 -0.403 18357 38 1 1 . 1 1 21 21 VAL H H 21 8.456 8.456 7.858 0.598 18357 39 1 1 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.104 0.003 18357 40 1 1 . 1 1 22 22 ALA H H 22 7.878 7.878 8.146 -0.268 18357 41 1 1 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.227 -0.107 18357 42 1 1 . 1 1 23 23 ALA H H 23 8.032 8.032 7.543 0.489 18357 43 1 1 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.544 -0.047 18357 44 1 1 . 1 1 24 24 CYS H H 24 8.032 8.032 7.784 0.248 18357 45 1 1 . 1 1 25 25 GLY H H 25 7.977 7.977 8.612 -0.635 18357 46 1 1 . 1 1 26 26 GLY H H 26 8.098 8.098 7.620 0.478 18357 47 1 1 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.150 -0.303 18357 48 1 1 . 1 1 27 27 ILE H H 27 8.317 8.317 8.286 0.031 18357 49 1 1 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.917 -0.069 18357 50 1 1 . 1 1 28 28 ASP H H 28 7.216 7.216 8.311 -1.095 18357 51 1 1 . 1 1 29 29 LEU HA H 29 4.034 4.034 5.020 -0.986 18357 52 1 1 . 1 1 29 29 LEU H H 29 8.845 8.845 7.842 1.003 18357 53 1 1 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.405 -0.247 18357 54 1 1 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.411 -0.239 18357 55 1 1 . 1 1 31 31 CYS H H 31 7.310 7.310 8.079 -0.769 18357 56 1 1 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.906 -0.698 18357 57 1 1 . 1 1 32 32 VAL H H 32 8.591 8.591 8.363 0.228 18357 58 1 1 . 1 1 33 33 LEU HA H 33 3.707 3.707 3.795 -0.088 18357 59 1 1 . 1 1 33 33 LEU H H 33 8.447 8.447 7.801 0.646 18357 60 1 1 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.048 0.053 18357 61 1 1 . 1 1 34 34 ALA H H 34 7.540 7.540 7.666 -0.126 18357 62 1 1 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.323 -0.125 18357 63 1 1 . 1 1 35 35 ALA H H 35 7.796 7.796 7.424 0.372 18357 64 1 1 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.065 0.205 18357 65 1 1 . 1 1 36 36 LEU H H 36 7.850 7.850 8.846 -0.996 18357 66 1 1 . 1 1 37 37 LYS HA H 37 4.008 4.008 3.974 0.034 18357 67 1 1 . 1 1 37 37 LYS H H 37 7.336 7.336 7.831 -0.495 18357 68 1 1 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.151 0.208 18357 69 1 1 . 1 1 38 38 ALA H H 38 7.863 7.863 7.390 0.473 18357 70 1 1 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.405 0.220 18357 71 1 1 . 1 1 39 39 ALA H H 39 7.862 7.862 7.950 -0.088 18357 72 1 1 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.005 0.025 18357 73 1 1 . 1 1 40 40 GLU H H 40 8.105 8.105 7.723 0.382 18357 74 1 1 . 1 1 41 41 GLY H H 41 8.868 8.868 8.200 0.668 18357 75 1 1 . 1 1 42 42 CYS HA H 42 4.827 4.827 5.213 -0.386 18357 76 1 1 . 1 1 42 42 CYS H H 42 8.402 8.402 8.701 -0.299 18357 77 1 1 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.011 -0.003 18357 78 1 1 . 1 1 43 43 ALA H H 43 9.090 9.090 7.676 1.414 18357 79 1 1 . 1 1 44 44 SER HA H 44 4.320 4.320 4.182 0.138 18357 80 1 1 . 1 1 44 44 SER H H 44 8.421 8.421 8.636 -0.215 18357 81 1 1 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.270 0.065 18357 82 1 1 . 1 1 45 45 CYS H H 45 7.166 7.166 7.275 -0.109 18357 83 1 1 . 1 1 46 46 PHE HA H 46 4.610 4.610 3.973 0.637 18357 84 1 1 . 1 1 46 46 PHE H H 46 8.084 8.084 7.558 0.526 18357 85 1 1 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.939 0.274 18357 86 1 1 . 1 1 47 47 CYS H H 47 8.944 8.944 8.380 0.564 18357 87 1 1 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.889 0.099 18357 88 1 1 . 1 1 48 48 GLU H H 48 7.982 7.982 7.515 0.467 18357 89 1 1 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.538 0.089 18357 90 1 1 . 1 1 49 49 ASP H H 49 6.826 6.826 8.237 -1.411 18357 91 1 1 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.533 0.103 18357 92 1 1 . 1 1 50 50 HIS H H 50 7.297 7.297 7.543 -0.246 18357 93 1 1 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.282 0.227 18357 94 1 1 . 1 1 51 51 CYS H H 51 8.394 8.394 8.334 0.060 18357 95 1 1 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.654 0.017 18357 96 1 1 . 1 1 52 52 HIS H H 52 8.321 8.321 7.677 0.644 18357 97 1 1 . 1 1 53 53 GLY H H 53 9.149 9.149 8.667 0.482 18357 98 1 1 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.266 -0.213 18357 99 1 1 . 1 1 54 54 VAL H H 54 8.993 8.993 8.149 0.844 18357 100 1 1 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.447 -0.210 18357 101 1 1 . 1 1 55 55 CYS H H 55 7.249 7.249 8.878 -1.629 18357 102 1 1 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.532 -0.424 18357 103 1 1 . 1 1 56 56 LYS H H 56 6.535 6.535 7.749 -1.214 18357 104 1 1 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.560 -0.407 18357 105 1 1 . 1 1 57 57 ASP H H 57 8.435 8.435 7.690 0.745 18357 106 1 1 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.170 0.069 18357 107 1 1 . 1 1 58 58 LEU H H 58 7.690 7.690 7.810 -0.120 18357 108 1 1 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.286 0.106 18357 109 1 1 . 1 1 59 59 HIS H H 59 7.947 7.947 7.631 0.316 18357 110 1 1 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.622 -0.274 18357 111 1 1 . 1 1 60 60 LEU H H 60 7.780 7.780 8.266 -0.486 18357 112 1 2 . 1 1 2 2 MET HA H 2 4.779 4.779 4.848 -0.069 18357 113 1 2 . 1 1 2 2 MET H H 2 8.721 8.721 8.540 0.181 18357 114 1 2 . 1 1 3 3 GLY H H 3 8.466 8.466 8.738 -0.272 18357 115 1 2 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.374 -0.055 18357 116 1 2 . 1 1 4 4 LYS H H 4 8.312 8.312 8.055 0.257 18357 117 1 2 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.808 -0.226 18357 118 1 2 . 1 1 5 5 CYS H H 5 8.745 8.745 7.498 1.247 18357 119 1 2 . 1 1 6 6 SER HA H 6 4.505 4.505 4.468 0.037 18357 120 1 2 . 1 1 6 6 SER H H 6 8.457 8.457 8.316 0.141 18357 121 1 2 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.899 -0.159 18357 122 1 2 . 1 1 7 7 VAL H H 7 8.591 8.591 8.351 0.240 18357 123 1 2 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.266 -0.126 18357 124 1 2 . 1 1 8 8 LEU H H 8 7.751 7.751 7.865 -0.114 18357 125 1 2 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.077 0.027 18357 126 1 2 . 1 1 9 9 LYS H H 9 7.834 7.834 8.494 -0.660 18357 127 1 2 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.210 -0.530 18357 128 1 2 . 1 1 10 10 LYS H H 10 8.602 8.602 7.736 0.866 18357 129 1 2 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.882 -0.115 18357 130 1 2 . 1 1 11 11 VAL H H 11 7.550 7.550 7.503 0.047 18357 131 1 2 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.299 -0.032 18357 132 1 2 . 1 1 12 12 ALA H H 12 7.911 7.911 7.570 0.341 18357 133 1 2 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.177 0.444 18357 134 1 2 . 1 1 13 13 CYS H H 13 8.379 8.379 8.018 0.361 18357 135 1 2 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.141 -0.098 18357 136 1 2 . 1 1 14 14 ALA H H 14 7.595 7.595 8.319 -0.724 18357 137 1 2 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.362 -0.127 18357 138 1 2 . 1 1 15 15 ALA H H 15 8.756 8.756 7.461 1.295 18357 139 1 2 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.091 0.009 18357 140 1 2 . 1 1 16 16 ALA H H 16 8.587 8.587 8.297 0.290 18357 141 1 2 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.748 0.448 18357 142 1 2 . 1 1 17 17 ILE H H 17 8.505 8.505 8.173 0.332 18357 143 1 2 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.003 0.079 18357 144 1 2 . 1 1 18 18 ALA H H 18 8.304 8.304 7.990 0.314 18357 145 1 2 . 1 1 19 19 GLY H H 19 8.402 8.402 7.952 0.450 18357 146 1 2 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.157 -0.066 18357 147 1 2 . 1 1 20 20 ALA H H 20 7.985 7.985 7.654 0.331 18357 148 1 2 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.803 -0.386 18357 149 1 2 . 1 1 21 21 VAL H H 21 8.456 8.456 8.408 0.048 18357 150 1 2 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.009 0.098 18357 151 1 2 . 1 1 22 22 ALA H H 22 7.878 7.878 7.993 -0.115 18357 152 1 2 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.121 -0.001 18357 153 1 2 . 1 1 23 23 ALA H H 23 8.032 8.032 7.485 0.547 18357 154 1 2 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.479 0.018 18357 155 1 2 . 1 1 24 24 CYS H H 24 8.032 8.032 7.809 0.223 18357 156 1 2 . 1 1 25 25 GLY H H 25 7.977 7.977 8.621 -0.644 18357 157 1 2 . 1 1 26 26 GLY H H 26 8.098 8.098 7.939 0.159 18357 158 1 2 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.134 -0.287 18357 159 1 2 . 1 1 27 27 ILE H H 27 8.317 8.317 8.387 -0.070 18357 160 1 2 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.848 0.000 18357 161 1 2 . 1 1 28 28 ASP H H 28 7.216 7.216 8.655 -1.439 18357 162 1 2 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.817 -0.783 18357 163 1 2 . 1 1 29 29 LEU H H 29 8.845 8.845 7.763 1.082 18357 164 1 2 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.392 -0.234 18357 165 1 2 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.471 -0.299 18357 166 1 2 . 1 1 31 31 CYS H H 31 7.310 7.310 7.896 -0.586 18357 167 1 2 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.918 -0.710 18357 168 1 2 . 1 1 32 32 VAL H H 32 8.591 8.591 8.526 0.065 18357 169 1 2 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.065 -0.358 18357 170 1 2 . 1 1 33 33 LEU H H 33 8.447 8.447 7.553 0.894 18357 171 1 2 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.355 -0.254 18357 172 1 2 . 1 1 34 34 ALA H H 34 7.540 7.540 7.626 -0.086 18357 173 1 2 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.433 -0.235 18357 174 1 2 . 1 1 35 35 ALA H H 35 7.796 7.796 7.579 0.217 18357 175 1 2 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.063 0.207 18357 176 1 2 . 1 1 36 36 LEU H H 36 7.850 7.850 8.544 -0.694 18357 177 1 2 . 1 1 37 37 LYS HA H 37 4.008 4.008 3.964 0.044 18357 178 1 2 . 1 1 37 37 LYS H H 37 7.336 7.336 8.290 -0.954 18357 179 1 2 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.430 -0.071 18357 180 1 2 . 1 1 38 38 ALA H H 38 7.863 7.863 7.390 0.473 18357 181 1 2 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.342 0.283 18357 182 1 2 . 1 1 39 39 ALA H H 39 7.862 7.862 7.686 0.176 18357 183 1 2 . 1 1 40 40 GLU HA H 40 4.030 4.030 3.955 0.075 18357 184 1 2 . 1 1 40 40 GLU H H 40 8.105 8.105 8.360 -0.255 18357 185 1 2 . 1 1 41 41 GLY H H 41 8.868 8.868 8.118 0.750 18357 186 1 2 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.923 -0.096 18357 187 1 2 . 1 1 42 42 CYS H H 42 8.402 8.402 8.627 -0.225 18357 188 1 2 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.095 -0.087 18357 189 1 2 . 1 1 43 43 ALA H H 43 9.090 9.090 8.291 0.799 18357 190 1 2 . 1 1 44 44 SER HA H 44 4.320 4.320 4.271 0.049 18357 191 1 2 . 1 1 44 44 SER H H 44 8.421 8.421 8.498 -0.077 18357 192 1 2 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.314 0.021 18357 193 1 2 . 1 1 45 45 CYS H H 45 7.166 7.166 7.573 -0.407 18357 194 1 2 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.236 0.374 18357 195 1 2 . 1 1 46 46 PHE H H 46 8.084 8.084 7.568 0.516 18357 196 1 2 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.744 0.469 18357 197 1 2 . 1 1 47 47 CYS H H 47 8.944 8.944 8.133 0.811 18357 198 1 2 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.128 -0.140 18357 199 1 2 . 1 1 48 48 GLU H H 48 7.982 7.982 7.315 0.667 18357 200 1 2 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.525 0.102 18357 201 1 2 . 1 1 49 49 ASP H H 49 6.826 6.826 7.531 -0.705 18357 202 1 2 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.697 -0.061 18357 203 1 2 . 1 1 50 50 HIS H H 50 7.297 7.297 7.156 0.141 18357 204 1 2 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.582 -0.073 18357 205 1 2 . 1 1 51 51 CYS H H 51 8.394 8.394 8.328 0.066 18357 206 1 2 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.587 0.084 18357 207 1 2 . 1 1 52 52 HIS H H 52 8.321 8.321 7.871 0.450 18357 208 1 2 . 1 1 53 53 GLY H H 53 9.149 9.149 8.748 0.401 18357 209 1 2 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.294 -0.241 18357 210 1 2 . 1 1 54 54 VAL H H 54 8.993 8.993 8.337 0.656 18357 211 1 2 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.133 0.104 18357 212 1 2 . 1 1 55 55 CYS H H 55 7.249 7.249 8.373 -1.125 18357 213 1 2 . 1 1 56 56 LYS HA H 56 4.108 4.108 3.979 0.129 18357 214 1 2 . 1 1 56 56 LYS H H 56 6.535 6.535 7.917 -1.382 18357 215 1 2 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.599 -0.446 18357 216 1 2 . 1 1 57 57 ASP H H 57 8.435 8.435 7.467 0.968 18357 217 1 2 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.068 0.171 18357 218 1 2 . 1 1 58 58 LEU H H 58 7.690 7.690 8.319 -0.629 18357 219 1 2 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.441 -0.049 18357 220 1 2 . 1 1 59 59 HIS H H 59 7.947 7.947 8.057 -0.110 18357 221 1 2 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.778 -0.430 18357 222 1 2 . 1 1 60 60 LEU H H 60 7.780 7.780 7.782 -0.002 18357 223 1 3 . 1 1 2 2 MET HA H 2 4.779 4.779 4.687 0.092 18357 224 1 3 . 1 1 2 2 MET H H 2 8.721 8.721 7.939 0.782 18357 225 1 3 . 1 1 3 3 GLY H H 3 8.466 8.466 8.488 -0.022 18357 226 1 3 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.467 -0.148 18357 227 1 3 . 1 1 4 4 LYS H H 4 8.312 8.312 8.548 -0.236 18357 228 1 3 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.840 -0.258 18357 229 1 3 . 1 1 5 5 CYS H H 5 8.745 8.745 7.581 1.164 18357 230 1 3 . 1 1 6 6 SER HA H 6 4.505 4.505 4.383 0.122 18357 231 1 3 . 1 1 6 6 SER H H 6 8.457 8.457 8.182 0.275 18357 232 1 3 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.811 -0.071 18357 233 1 3 . 1 1 7 7 VAL H H 7 8.591 8.591 8.469 0.122 18357 234 1 3 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.194 -0.054 18357 235 1 3 . 1 1 8 8 LEU H H 8 7.751 7.751 7.799 -0.048 18357 236 1 3 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.099 0.005 18357 237 1 3 . 1 1 9 9 LYS H H 9 7.834 7.834 7.533 0.301 18357 238 1 3 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.204 -0.524 18357 239 1 3 . 1 1 10 10 LYS H H 10 8.602 8.602 7.764 0.838 18357 240 1 3 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.970 -0.203 18357 241 1 3 . 1 1 11 11 VAL H H 11 7.550 7.550 7.278 0.272 18357 242 1 3 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.362 -0.095 18357 243 1 3 . 1 1 12 12 ALA H H 12 7.911 7.911 7.700 0.211 18357 244 1 3 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.146 0.475 18357 245 1 3 . 1 1 13 13 CYS H H 13 8.379 8.379 8.100 0.279 18357 246 1 3 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.096 -0.053 18357 247 1 3 . 1 1 14 14 ALA H H 14 7.595 7.595 8.299 -0.704 18357 248 1 3 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.261 -0.026 18357 249 1 3 . 1 1 15 15 ALA H H 15 8.756 8.756 7.910 0.846 18357 250 1 3 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.232 -0.132 18357 251 1 3 . 1 1 16 16 ALA H H 16 8.587 8.587 7.739 0.848 18357 252 1 3 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.783 0.413 18357 253 1 3 . 1 1 17 17 ILE H H 17 8.505 8.505 8.524 -0.019 18357 254 1 3 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.069 0.013 18357 255 1 3 . 1 1 18 18 ALA H H 18 8.304 8.304 7.789 0.515 18357 256 1 3 . 1 1 19 19 GLY H H 19 8.402 8.402 7.927 0.475 18357 257 1 3 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.162 -0.071 18357 258 1 3 . 1 1 20 20 ALA H H 20 7.985 7.985 7.621 0.364 18357 259 1 3 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.756 -0.339 18357 260 1 3 . 1 1 21 21 VAL H H 21 8.456 8.456 8.203 0.253 18357 261 1 3 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.036 0.071 18357 262 1 3 . 1 1 22 22 ALA H H 22 7.878 7.878 7.796 0.082 18357 263 1 3 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.160 -0.040 18357 264 1 3 . 1 1 23 23 ALA H H 23 8.032 8.032 7.889 0.143 18357 265 1 3 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.555 -0.058 18357 266 1 3 . 1 1 24 24 CYS H H 24 8.032 8.032 7.937 0.095 18357 267 1 3 . 1 1 25 25 GLY H H 25 7.977 7.977 8.522 -0.545 18357 268 1 3 . 1 1 26 26 GLY H H 26 8.098 8.098 8.575 -0.477 18357 269 1 3 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.006 -0.159 18357 270 1 3 . 1 1 27 27 ILE H H 27 8.317 8.317 8.498 -0.181 18357 271 1 3 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.787 0.061 18357 272 1 3 . 1 1 28 28 ASP H H 28 7.216 7.216 8.334 -1.118 18357 273 1 3 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.909 -0.875 18357 274 1 3 . 1 1 29 29 LEU H H 29 8.845 8.845 7.991 0.854 18357 275 1 3 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.393 -0.235 18357 276 1 3 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.380 -0.208 18357 277 1 3 . 1 1 31 31 CYS H H 31 7.310 7.310 8.122 -0.812 18357 278 1 3 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.873 -0.665 18357 279 1 3 . 1 1 32 32 VAL H H 32 8.591 8.591 8.580 0.011 18357 280 1 3 . 1 1 33 33 LEU HA H 33 3.707 3.707 3.957 -0.250 18357 281 1 3 . 1 1 33 33 LEU H H 33 8.447 8.447 7.707 0.740 18357 282 1 3 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.233 -0.132 18357 283 1 3 . 1 1 34 34 ALA H H 34 7.540 7.540 7.687 -0.147 18357 284 1 3 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.279 -0.081 18357 285 1 3 . 1 1 35 35 ALA H H 35 7.796 7.796 7.697 0.099 18357 286 1 3 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.048 0.222 18357 287 1 3 . 1 1 36 36 LEU H H 36 7.850 7.850 8.652 -0.802 18357 288 1 3 . 1 1 37 37 LYS HA H 37 4.008 4.008 4.007 0.001 18357 289 1 3 . 1 1 37 37 LYS H H 37 7.336 7.336 8.208 -0.872 18357 290 1 3 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.343 0.016 18357 291 1 3 . 1 1 38 38 ALA H H 38 7.863 7.863 7.250 0.613 18357 292 1 3 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.235 0.390 18357 293 1 3 . 1 1 39 39 ALA H H 39 7.862 7.862 7.457 0.405 18357 294 1 3 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.142 -0.112 18357 295 1 3 . 1 1 40 40 GLU H H 40 8.105 8.105 8.635 -0.530 18357 296 1 3 . 1 1 41 41 GLY H H 41 8.868 8.868 8.145 0.723 18357 297 1 3 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.751 0.076 18357 298 1 3 . 1 1 42 42 CYS H H 42 8.402 8.402 8.624 -0.222 18357 299 1 3 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.008 0.000 18357 300 1 3 . 1 1 43 43 ALA H H 43 9.090 9.090 8.419 0.671 18357 301 1 3 . 1 1 44 44 SER HA H 44 4.320 4.320 4.151 0.169 18357 302 1 3 . 1 1 44 44 SER H H 44 8.421 8.421 8.289 0.132 18357 303 1 3 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.733 -0.398 18357 304 1 3 . 1 1 45 45 CYS H H 45 7.166 7.166 7.853 -0.687 18357 305 1 3 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.136 0.474 18357 306 1 3 . 1 1 46 46 PHE H H 46 8.084 8.084 7.405 0.679 18357 307 1 3 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.906 0.307 18357 308 1 3 . 1 1 47 47 CYS H H 47 8.944 8.944 7.909 1.035 18357 309 1 3 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.928 0.060 18357 310 1 3 . 1 1 48 48 GLU H H 48 7.982 7.982 7.704 0.278 18357 311 1 3 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.584 0.043 18357 312 1 3 . 1 1 49 49 ASP H H 49 6.826 6.826 8.107 -1.281 18357 313 1 3 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.749 -0.113 18357 314 1 3 . 1 1 50 50 HIS H H 50 7.297 7.297 7.528 -0.231 18357 315 1 3 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.271 0.238 18357 316 1 3 . 1 1 51 51 CYS H H 51 8.394 8.394 8.516 -0.122 18357 317 1 3 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.680 -0.009 18357 318 1 3 . 1 1 52 52 HIS H H 52 8.321 8.321 7.880 0.441 18357 319 1 3 . 1 1 53 53 GLY H H 53 9.149 9.149 8.773 0.376 18357 320 1 3 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.337 -0.284 18357 321 1 3 . 1 1 54 54 VAL H H 54 8.993 8.993 8.019 0.974 18357 322 1 3 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.538 -0.301 18357 323 1 3 . 1 1 55 55 CYS H H 55 7.249 7.249 8.612 -1.363 18357 324 1 3 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.240 -0.132 18357 325 1 3 . 1 1 56 56 LYS H H 56 6.535 6.535 7.843 -1.308 18357 326 1 3 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.615 -0.462 18357 327 1 3 . 1 1 57 57 ASP H H 57 8.435 8.435 7.862 0.573 18357 328 1 3 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.254 -0.015 18357 329 1 3 . 1 1 58 58 LEU H H 58 7.690 7.690 8.007 -0.317 18357 330 1 3 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.224 0.168 18357 331 1 3 . 1 1 59 59 HIS H H 59 7.947 7.947 7.997 -0.050 18357 332 1 3 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.576 -0.228 18357 333 1 3 . 1 1 60 60 LEU H H 60 7.780 7.780 8.421 -0.641 18357 334 1 4 . 1 1 2 2 MET HA H 2 4.779 4.779 3.930 0.849 18357 335 1 4 . 1 1 2 2 MET H H 2 8.721 8.721 9.502 -0.781 18357 336 1 4 . 1 1 3 3 GLY H H 3 8.466 8.466 8.068 0.398 18357 337 1 4 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.515 -0.196 18357 338 1 4 . 1 1 4 4 LYS H H 4 8.312 8.312 8.221 0.091 18357 339 1 4 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.747 -0.165 18357 340 1 4 . 1 1 5 5 CYS H H 5 8.745 8.745 7.710 1.035 18357 341 1 4 . 1 1 6 6 SER HA H 6 4.505 4.505 4.440 0.065 18357 342 1 4 . 1 1 6 6 SER H H 6 8.457 8.457 8.412 0.045 18357 343 1 4 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.784 -0.044 18357 344 1 4 . 1 1 7 7 VAL H H 7 8.591 8.591 8.709 -0.118 18357 345 1 4 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.246 -0.106 18357 346 1 4 . 1 1 8 8 LEU H H 8 7.751 7.751 7.947 -0.196 18357 347 1 4 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.160 -0.056 18357 348 1 4 . 1 1 9 9 LYS H H 9 7.834 7.834 8.246 -0.412 18357 349 1 4 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.185 -0.505 18357 350 1 4 . 1 1 10 10 LYS H H 10 8.602 8.602 7.527 1.075 18357 351 1 4 . 1 1 11 11 VAL HA H 11 3.767 3.767 4.058 -0.291 18357 352 1 4 . 1 1 11 11 VAL H H 11 7.550 7.550 7.334 0.216 18357 353 1 4 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.451 -0.184 18357 354 1 4 . 1 1 12 12 ALA H H 12 7.911 7.911 7.968 -0.057 18357 355 1 4 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.158 0.463 18357 356 1 4 . 1 1 13 13 CYS H H 13 8.379 8.379 7.870 0.509 18357 357 1 4 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.043 0.000 18357 358 1 4 . 1 1 14 14 ALA H H 14 7.595 7.595 8.355 -0.760 18357 359 1 4 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.158 0.077 18357 360 1 4 . 1 1 15 15 ALA H H 15 8.756 8.756 7.730 1.026 18357 361 1 4 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.270 -0.170 18357 362 1 4 . 1 1 16 16 ALA H H 16 8.587 8.587 7.249 1.338 18357 363 1 4 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.826 0.370 18357 364 1 4 . 1 1 17 17 ILE H H 17 8.505 8.505 8.287 0.218 18357 365 1 4 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.029 0.053 18357 366 1 4 . 1 1 18 18 ALA H H 18 8.304 8.304 8.548 -0.244 18357 367 1 4 . 1 1 19 19 GLY H H 19 8.402 8.402 8.255 0.147 18357 368 1 4 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.160 -0.069 18357 369 1 4 . 1 1 20 20 ALA H H 20 7.985 7.985 7.935 0.050 18357 370 1 4 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.722 -0.305 18357 371 1 4 . 1 1 21 21 VAL H H 21 8.456 8.456 7.737 0.719 18357 372 1 4 . 1 1 22 22 ALA HA H 22 4.107 4.107 3.979 0.128 18357 373 1 4 . 1 1 22 22 ALA H H 22 7.878 7.878 8.175 -0.297 18357 374 1 4 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.100 0.020 18357 375 1 4 . 1 1 23 23 ALA H H 23 8.032 8.032 7.926 0.106 18357 376 1 4 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.448 0.049 18357 377 1 4 . 1 1 24 24 CYS H H 24 8.032 8.032 7.782 0.250 18357 378 1 4 . 1 1 25 25 GLY H H 25 7.977 7.977 8.552 -0.575 18357 379 1 4 . 1 1 26 26 GLY H H 26 8.098 8.098 8.671 -0.573 18357 380 1 4 . 1 1 27 27 ILE HA H 27 3.847 3.847 3.863 -0.016 18357 381 1 4 . 1 1 27 27 ILE H H 27 8.317 8.317 8.532 -0.215 18357 382 1 4 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.797 0.051 18357 383 1 4 . 1 1 28 28 ASP H H 28 7.216 7.216 8.489 -1.273 18357 384 1 4 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.757 -0.723 18357 385 1 4 . 1 1 29 29 LEU H H 29 8.845 8.845 7.775 1.070 18357 386 1 4 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.432 -0.274 18357 387 1 4 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.413 -0.241 18357 388 1 4 . 1 1 31 31 CYS H H 31 7.310 7.310 7.980 -0.670 18357 389 1 4 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.812 -0.604 18357 390 1 4 . 1 1 32 32 VAL H H 32 8.591 8.591 8.560 0.031 18357 391 1 4 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.049 -0.342 18357 392 1 4 . 1 1 33 33 LEU H H 33 8.447 8.447 7.696 0.751 18357 393 1 4 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.277 -0.176 18357 394 1 4 . 1 1 34 34 ALA H H 34 7.540 7.540 7.735 -0.195 18357 395 1 4 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.483 -0.285 18357 396 1 4 . 1 1 35 35 ALA H H 35 7.796 7.796 7.488 0.308 18357 397 1 4 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.059 0.211 18357 398 1 4 . 1 1 36 36 LEU H H 36 7.850 7.850 8.740 -0.890 18357 399 1 4 . 1 1 37 37 LYS HA H 37 4.008 4.008 3.919 0.089 18357 400 1 4 . 1 1 37 37 LYS H H 37 7.336 7.336 8.316 -0.980 18357 401 1 4 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.151 0.208 18357 402 1 4 . 1 1 38 38 ALA H H 38 7.863 7.863 7.321 0.542 18357 403 1 4 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.405 0.220 18357 404 1 4 . 1 1 39 39 ALA H H 39 7.862 7.862 7.996 -0.134 18357 405 1 4 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.089 -0.059 18357 406 1 4 . 1 1 40 40 GLU H H 40 8.105 8.105 7.996 0.109 18357 407 1 4 . 1 1 41 41 GLY H H 41 8.868 8.868 8.701 0.167 18357 408 1 4 . 1 1 42 42 CYS HA H 42 4.827 4.827 5.214 -0.387 18357 409 1 4 . 1 1 42 42 CYS H H 42 8.402 8.402 8.160 0.242 18357 410 1 4 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.062 -0.054 18357 411 1 4 . 1 1 43 43 ALA H H 43 9.090 9.090 7.762 1.328 18357 412 1 4 . 1 1 44 44 SER HA H 44 4.320 4.320 4.154 0.166 18357 413 1 4 . 1 1 44 44 SER H H 44 8.421 8.421 8.388 0.033 18357 414 1 4 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.251 0.084 18357 415 1 4 . 1 1 45 45 CYS H H 45 7.166 7.166 7.514 -0.348 18357 416 1 4 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.123 0.487 18357 417 1 4 . 1 1 46 46 PHE H H 46 8.084 8.084 7.730 0.354 18357 418 1 4 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.107 1.106 18357 419 1 4 . 1 1 47 47 CYS H H 47 8.944 8.944 8.382 0.562 18357 420 1 4 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.855 0.133 18357 421 1 4 . 1 1 48 48 GLU H H 48 7.982 7.982 7.329 0.653 18357 422 1 4 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.405 0.222 18357 423 1 4 . 1 1 49 49 ASP H H 49 6.826 6.826 8.336 -1.510 18357 424 1 4 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.453 0.183 18357 425 1 4 . 1 1 50 50 HIS H H 50 7.297 7.297 7.577 -0.280 18357 426 1 4 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.343 0.166 18357 427 1 4 . 1 1 51 51 CYS H H 51 8.394 8.394 8.257 0.137 18357 428 1 4 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.714 -0.043 18357 429 1 4 . 1 1 52 52 HIS H H 52 8.321 8.321 7.961 0.360 18357 430 1 4 . 1 1 53 53 GLY H H 53 9.149 9.149 8.655 0.494 18357 431 1 4 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.263 -0.210 18357 432 1 4 . 1 1 54 54 VAL H H 54 8.993 8.993 8.277 0.716 18357 433 1 4 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.211 0.026 18357 434 1 4 . 1 1 55 55 CYS H H 55 7.249 7.249 8.131 -0.882 18357 435 1 4 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.132 -0.024 18357 436 1 4 . 1 1 56 56 LYS H H 56 6.535 6.535 7.722 -1.187 18357 437 1 4 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.562 -0.409 18357 438 1 4 . 1 1 57 57 ASP H H 57 8.435 8.435 7.418 1.017 18357 439 1 4 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.161 0.078 18357 440 1 4 . 1 1 58 58 LEU H H 58 7.690 7.690 8.081 -0.391 18357 441 1 4 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.327 0.065 18357 442 1 4 . 1 1 59 59 HIS H H 59 7.947 7.947 7.849 0.098 18357 443 1 4 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.825 -0.477 18357 444 1 4 . 1 1 60 60 LEU H H 60 7.780 7.780 8.196 -0.416 18357 445 1 5 . 1 1 2 2 MET HA H 2 4.779 4.779 4.448 0.331 18357 446 1 5 . 1 1 2 2 MET H H 2 8.721 8.721 8.696 0.025 18357 447 1 5 . 1 1 3 3 GLY H H 3 8.466 8.466 8.421 0.045 18357 448 1 5 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.244 0.075 18357 449 1 5 . 1 1 4 4 LYS H H 4 8.312 8.312 8.161 0.151 18357 450 1 5 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.507 0.075 18357 451 1 5 . 1 1 5 5 CYS H H 5 8.745 8.745 7.910 0.835 18357 452 1 5 . 1 1 6 6 SER HA H 6 4.505 4.505 4.383 0.122 18357 453 1 5 . 1 1 6 6 SER H H 6 8.457 8.457 7.876 0.581 18357 454 1 5 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.811 -0.071 18357 455 1 5 . 1 1 7 7 VAL H H 7 8.591 8.591 8.423 0.168 18357 456 1 5 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.236 -0.096 18357 457 1 5 . 1 1 8 8 LEU H H 8 7.751 7.751 7.902 -0.151 18357 458 1 5 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.118 -0.014 18357 459 1 5 . 1 1 9 9 LYS H H 9 7.834 7.834 7.492 0.342 18357 460 1 5 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.185 -0.505 18357 461 1 5 . 1 1 10 10 LYS H H 10 8.602 8.602 7.979 0.623 18357 462 1 5 . 1 1 11 11 VAL HA H 11 3.767 3.767 4.020 -0.253 18357 463 1 5 . 1 1 11 11 VAL H H 11 7.550 7.550 7.249 0.301 18357 464 1 5 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.443 -0.176 18357 465 1 5 . 1 1 12 12 ALA H H 12 7.911 7.911 7.447 0.464 18357 466 1 5 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.155 0.466 18357 467 1 5 . 1 1 13 13 CYS H H 13 8.379 8.379 7.950 0.429 18357 468 1 5 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.067 -0.024 18357 469 1 5 . 1 1 14 14 ALA H H 14 7.595 7.595 8.628 -1.033 18357 470 1 5 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.362 -0.127 18357 471 1 5 . 1 1 15 15 ALA H H 15 8.756 8.756 7.389 1.367 18357 472 1 5 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.101 -0.001 18357 473 1 5 . 1 1 16 16 ALA H H 16 8.587 8.587 8.130 0.457 18357 474 1 5 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.781 0.415 18357 475 1 5 . 1 1 17 17 ILE H H 17 8.505 8.505 8.424 0.081 18357 476 1 5 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.038 0.044 18357 477 1 5 . 1 1 18 18 ALA H H 18 8.304 8.304 7.795 0.509 18357 478 1 5 . 1 1 19 19 GLY H H 19 8.402 8.402 7.868 0.534 18357 479 1 5 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.139 -0.048 18357 480 1 5 . 1 1 20 20 ALA H H 20 7.985 7.985 7.742 0.243 18357 481 1 5 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.800 -0.383 18357 482 1 5 . 1 1 21 21 VAL H H 21 8.456 8.456 8.093 0.363 18357 483 1 5 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.073 0.034 18357 484 1 5 . 1 1 22 22 ALA H H 22 7.878 7.878 8.095 -0.217 18357 485 1 5 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.167 -0.047 18357 486 1 5 . 1 1 23 23 ALA H H 23 8.032 8.032 7.624 0.408 18357 487 1 5 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.579 -0.082 18357 488 1 5 . 1 1 24 24 CYS H H 24 8.032 8.032 7.707 0.325 18357 489 1 5 . 1 1 25 25 GLY H H 25 7.977 7.977 8.672 -0.695 18357 490 1 5 . 1 1 26 26 GLY H H 26 8.098 8.098 7.776 0.322 18357 491 1 5 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.096 -0.249 18357 492 1 5 . 1 1 27 27 ILE H H 27 8.317 8.317 8.293 0.024 18357 493 1 5 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.897 -0.049 18357 494 1 5 . 1 1 28 28 ASP H H 28 7.216 7.216 8.072 -0.856 18357 495 1 5 . 1 1 29 29 LEU HA H 29 4.034 4.034 5.034 -1.000 18357 496 1 5 . 1 1 29 29 LEU H H 29 8.845 8.845 8.159 0.686 18357 497 1 5 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.459 -0.301 18357 498 1 5 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.601 -0.429 18357 499 1 5 . 1 1 31 31 CYS H H 31 7.310 7.310 8.220 -0.910 18357 500 1 5 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.803 -0.595 18357 501 1 5 . 1 1 32 32 VAL H H 32 8.591 8.591 8.670 -0.079 18357 502 1 5 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.038 -0.331 18357 503 1 5 . 1 1 33 33 LEU H H 33 8.447 8.447 7.588 0.859 18357 504 1 5 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.255 -0.154 18357 505 1 5 . 1 1 34 34 ALA H H 34 7.540 7.540 7.668 -0.128 18357 506 1 5 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.395 -0.197 18357 507 1 5 . 1 1 35 35 ALA H H 35 7.796 7.796 7.553 0.243 18357 508 1 5 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.079 0.191 18357 509 1 5 . 1 1 36 36 LEU H H 36 7.850 7.850 8.726 -0.876 18357 510 1 5 . 1 1 37 37 LYS HA H 37 4.008 4.008 3.923 0.085 18357 511 1 5 . 1 1 37 37 LYS H H 37 7.336 7.336 8.397 -1.061 18357 512 1 5 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.175 0.184 18357 513 1 5 . 1 1 38 38 ALA H H 38 7.863 7.863 7.352 0.511 18357 514 1 5 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.379 0.246 18357 515 1 5 . 1 1 39 39 ALA H H 39 7.862 7.862 7.965 -0.103 18357 516 1 5 . 1 1 40 40 GLU HA H 40 4.030 4.030 3.939 0.091 18357 517 1 5 . 1 1 40 40 GLU H H 40 8.105 8.105 7.997 0.108 18357 518 1 5 . 1 1 41 41 GLY H H 41 8.868 8.868 8.490 0.378 18357 519 1 5 . 1 1 42 42 CYS HA H 42 4.827 4.827 5.079 -0.252 18357 520 1 5 . 1 1 42 42 CYS H H 42 8.402 8.402 8.584 -0.182 18357 521 1 5 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.075 -0.067 18357 522 1 5 . 1 1 43 43 ALA H H 43 9.090 9.090 8.178 0.912 18357 523 1 5 . 1 1 44 44 SER HA H 44 4.320 4.320 4.225 0.095 18357 524 1 5 . 1 1 44 44 SER H H 44 8.421 8.421 8.538 -0.117 18357 525 1 5 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.645 -0.310 18357 526 1 5 . 1 1 45 45 CYS H H 45 7.166 7.166 7.639 -0.473 18357 527 1 5 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.616 -0.006 18357 528 1 5 . 1 1 46 46 PHE H H 46 8.084 8.084 7.758 0.326 18357 529 1 5 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.411 0.802 18357 530 1 5 . 1 1 47 47 CYS H H 47 8.944 8.944 8.161 0.783 18357 531 1 5 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.877 0.111 18357 532 1 5 . 1 1 48 48 GLU H H 48 7.982 7.982 7.885 0.097 18357 533 1 5 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.453 0.174 18357 534 1 5 . 1 1 49 49 ASP H H 49 6.826 6.826 7.473 -0.647 18357 535 1 5 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.964 -0.328 18357 536 1 5 . 1 1 50 50 HIS H H 50 7.297 7.297 7.402 -0.105 18357 537 1 5 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.549 -0.040 18357 538 1 5 . 1 1 51 51 CYS H H 51 8.394 8.394 8.211 0.183 18357 539 1 5 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.713 -0.042 18357 540 1 5 . 1 1 52 52 HIS H H 52 8.321 8.321 8.270 0.051 18357 541 1 5 . 1 1 53 53 GLY H H 53 9.149 9.149 8.703 0.446 18357 542 1 5 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.382 -0.329 18357 543 1 5 . 1 1 54 54 VAL H H 54 8.993 8.993 8.075 0.918 18357 544 1 5 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.212 0.025 18357 545 1 5 . 1 1 55 55 CYS H H 55 7.249 7.249 8.392 -1.143 18357 546 1 5 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.227 -0.119 18357 547 1 5 . 1 1 56 56 LYS H H 56 6.535 6.535 8.059 -1.524 18357 548 1 5 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.500 -0.347 18357 549 1 5 . 1 1 57 57 ASP H H 57 8.435 8.435 7.437 0.998 18357 550 1 5 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.184 0.055 18357 551 1 5 . 1 1 58 58 LEU H H 58 7.690 7.690 8.120 -0.430 18357 552 1 5 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.358 0.034 18357 553 1 5 . 1 1 59 59 HIS H H 59 7.947 7.947 7.614 0.333 18357 554 1 5 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.582 -0.234 18357 555 1 5 . 1 1 60 60 LEU H H 60 7.780 7.780 7.487 0.293 18357 556 1 6 . 1 1 2 2 MET HA H 2 4.779 4.779 4.164 0.615 18357 557 1 6 . 1 1 2 2 MET H H 2 8.721 8.721 8.494 0.227 18357 558 1 6 . 1 1 3 3 GLY H H 3 8.466 8.466 8.068 0.398 18357 559 1 6 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.298 0.020 18357 560 1 6 . 1 1 4 4 LYS H H 4 8.312 8.312 8.594 -0.282 18357 561 1 6 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.722 -0.140 18357 562 1 6 . 1 1 5 5 CYS H H 5 8.745 8.745 8.284 0.461 18357 563 1 6 . 1 1 6 6 SER HA H 6 4.505 4.505 4.604 -0.099 18357 564 1 6 . 1 1 6 6 SER H H 6 8.457 8.457 8.290 0.167 18357 565 1 6 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.801 -0.061 18357 566 1 6 . 1 1 7 7 VAL H H 7 8.591 8.591 8.467 0.124 18357 567 1 6 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.344 -0.204 18357 568 1 6 . 1 1 8 8 LEU H H 8 7.751 7.751 7.862 -0.111 18357 569 1 6 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.062 0.042 18357 570 1 6 . 1 1 9 9 LYS H H 9 7.834 7.834 8.409 -0.575 18357 571 1 6 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.191 -0.511 18357 572 1 6 . 1 1 10 10 LYS H H 10 8.602 8.602 7.933 0.669 18357 573 1 6 . 1 1 11 11 VAL HA H 11 3.767 3.767 4.047 -0.280 18357 574 1 6 . 1 1 11 11 VAL H H 11 7.550 7.550 7.571 -0.021 18357 575 1 6 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.480 -0.213 18357 576 1 6 . 1 1 12 12 ALA H H 12 7.911 7.911 7.599 0.312 18357 577 1 6 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.265 0.356 18357 578 1 6 . 1 1 13 13 CYS H H 13 8.379 8.379 7.927 0.452 18357 579 1 6 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.105 -0.062 18357 580 1 6 . 1 1 14 14 ALA H H 14 7.595 7.595 8.190 -0.595 18357 581 1 6 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.160 0.075 18357 582 1 6 . 1 1 15 15 ALA H H 15 8.756 8.756 8.154 0.602 18357 583 1 6 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.388 -0.288 18357 584 1 6 . 1 1 16 16 ALA H H 16 8.587 8.587 7.374 1.213 18357 585 1 6 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.958 0.238 18357 586 1 6 . 1 1 17 17 ILE H H 17 8.505 8.505 8.605 -0.100 18357 587 1 6 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.064 0.018 18357 588 1 6 . 1 1 18 18 ALA H H 18 8.304 8.304 7.897 0.407 18357 589 1 6 . 1 1 19 19 GLY H H 19 8.402 8.402 8.173 0.229 18357 590 1 6 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.117 -0.026 18357 591 1 6 . 1 1 20 20 ALA H H 20 7.985 7.985 7.826 0.159 18357 592 1 6 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.896 -0.479 18357 593 1 6 . 1 1 21 21 VAL H H 21 8.456 8.456 7.996 0.460 18357 594 1 6 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.040 0.067 18357 595 1 6 . 1 1 22 22 ALA H H 22 7.878 7.878 7.956 -0.078 18357 596 1 6 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.235 -0.115 18357 597 1 6 . 1 1 23 23 ALA H H 23 8.032 8.032 7.512 0.520 18357 598 1 6 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.487 0.010 18357 599 1 6 . 1 1 24 24 CYS H H 24 8.032 8.032 7.587 0.445 18357 600 1 6 . 1 1 25 25 GLY H H 25 7.977 7.977 8.637 -0.660 18357 601 1 6 . 1 1 26 26 GLY H H 26 8.098 8.098 7.939 0.159 18357 602 1 6 . 1 1 27 27 ILE HA H 27 3.847 3.847 3.979 -0.132 18357 603 1 6 . 1 1 27 27 ILE H H 27 8.317 8.317 8.544 -0.227 18357 604 1 6 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.786 0.062 18357 605 1 6 . 1 1 28 28 ASP H H 28 7.216 7.216 8.530 -1.314 18357 606 1 6 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.924 -0.890 18357 607 1 6 . 1 1 29 29 LEU H H 29 8.845 8.845 8.112 0.733 18357 608 1 6 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.421 -0.263 18357 609 1 6 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.631 -0.459 18357 610 1 6 . 1 1 31 31 CYS H H 31 7.310 7.310 8.143 -0.833 18357 611 1 6 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.674 -0.466 18357 612 1 6 . 1 1 32 32 VAL H H 32 8.591 8.591 8.443 0.148 18357 613 1 6 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.003 -0.296 18357 614 1 6 . 1 1 33 33 LEU H H 33 8.447 8.447 7.567 0.880 18357 615 1 6 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.133 -0.032 18357 616 1 6 . 1 1 34 34 ALA H H 34 7.540 7.540 7.854 -0.314 18357 617 1 6 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.410 -0.212 18357 618 1 6 . 1 1 35 35 ALA H H 35 7.796 7.796 7.391 0.405 18357 619 1 6 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.098 0.172 18357 620 1 6 . 1 1 36 36 LEU H H 36 7.850 7.850 8.670 -0.820 18357 621 1 6 . 1 1 37 37 LYS HA H 37 4.008 4.008 4.040 -0.032 18357 622 1 6 . 1 1 37 37 LYS H H 37 7.336 7.336 7.739 -0.403 18357 623 1 6 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.377 -0.018 18357 624 1 6 . 1 1 38 38 ALA H H 38 7.863 7.863 7.399 0.464 18357 625 1 6 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.277 0.348 18357 626 1 6 . 1 1 39 39 ALA H H 39 7.862 7.862 7.328 0.534 18357 627 1 6 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.158 -0.128 18357 628 1 6 . 1 1 40 40 GLU H H 40 8.105 8.105 8.560 -0.455 18357 629 1 6 . 1 1 41 41 GLY H H 41 8.868 8.868 8.273 0.595 18357 630 1 6 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.625 0.202 18357 631 1 6 . 1 1 42 42 CYS H H 42 8.402 8.402 8.759 -0.357 18357 632 1 6 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.015 -0.007 18357 633 1 6 . 1 1 43 43 ALA H H 43 9.090 9.090 8.572 0.518 18357 634 1 6 . 1 1 44 44 SER HA H 44 4.320 4.320 4.215 0.105 18357 635 1 6 . 1 1 44 44 SER H H 44 8.421 8.421 8.244 0.177 18357 636 1 6 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.298 0.037 18357 637 1 6 . 1 1 45 45 CYS H H 45 7.166 7.166 7.835 -0.669 18357 638 1 6 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.045 0.565 18357 639 1 6 . 1 1 46 46 PHE H H 46 8.084 8.084 7.560 0.524 18357 640 1 6 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.592 0.621 18357 641 1 6 . 1 1 47 47 CYS H H 47 8.944 8.944 8.007 0.937 18357 642 1 6 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.067 -0.079 18357 643 1 6 . 1 1 48 48 GLU H H 48 7.982 7.982 7.528 0.454 18357 644 1 6 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.494 0.133 18357 645 1 6 . 1 1 49 49 ASP H H 49 6.826 6.826 8.241 -1.415 18357 646 1 6 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.756 -0.120 18357 647 1 6 . 1 1 50 50 HIS H H 50 7.297 7.297 7.743 -0.446 18357 648 1 6 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.474 0.035 18357 649 1 6 . 1 1 51 51 CYS H H 51 8.394 8.394 8.125 0.269 18357 650 1 6 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.511 0.160 18357 651 1 6 . 1 1 52 52 HIS H H 52 8.321 8.321 8.480 -0.159 18357 652 1 6 . 1 1 53 53 GLY H H 53 9.149 9.149 8.545 0.604 18357 653 1 6 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.209 -0.156 18357 654 1 6 . 1 1 54 54 VAL H H 54 8.993 8.993 8.057 0.936 18357 655 1 6 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.271 -0.034 18357 656 1 6 . 1 1 55 55 CYS H H 55 7.249 7.249 8.104 -0.855 18357 657 1 6 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.653 -0.545 18357 658 1 6 . 1 1 56 56 LYS H H 56 6.535 6.535 7.753 -1.218 18357 659 1 6 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.567 -0.414 18357 660 1 6 . 1 1 57 57 ASP H H 57 8.435 8.435 7.895 0.540 18357 661 1 6 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.349 -0.110 18357 662 1 6 . 1 1 58 58 LEU H H 58 7.690 7.690 7.909 -0.219 18357 663 1 6 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.225 0.167 18357 664 1 6 . 1 1 59 59 HIS H H 59 7.947 7.947 8.007 -0.060 18357 665 1 6 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.704 -0.356 18357 666 1 6 . 1 1 60 60 LEU H H 60 7.780 7.780 8.177 -0.397 18357 667 1 7 . 1 1 2 2 MET HA H 2 4.779 4.779 4.676 0.103 18357 668 1 7 . 1 1 2 2 MET H H 2 8.721 8.721 8.540 0.181 18357 669 1 7 . 1 1 3 3 GLY H H 3 8.466 8.466 7.956 0.510 18357 670 1 7 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.293 0.026 18357 671 1 7 . 1 1 4 4 LYS H H 4 8.312 8.312 8.420 -0.108 18357 672 1 7 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.724 -0.142 18357 673 1 7 . 1 1 5 5 CYS H H 5 8.745 8.745 8.302 0.443 18357 674 1 7 . 1 1 6 6 SER HA H 6 4.505 4.505 4.444 0.061 18357 675 1 7 . 1 1 6 6 SER H H 6 8.457 8.457 7.789 0.668 18357 676 1 7 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.897 -0.157 18357 677 1 7 . 1 1 7 7 VAL H H 7 8.591 8.591 8.495 0.096 18357 678 1 7 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.370 -0.230 18357 679 1 7 . 1 1 8 8 LEU H H 8 7.751 7.751 8.102 -0.351 18357 680 1 7 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.254 -0.150 18357 681 1 7 . 1 1 9 9 LYS H H 9 7.834 7.834 8.325 -0.491 18357 682 1 7 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.160 -0.480 18357 683 1 7 . 1 1 10 10 LYS H H 10 8.602 8.602 7.687 0.915 18357 684 1 7 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.849 -0.082 18357 685 1 7 . 1 1 11 11 VAL H H 11 7.550 7.550 7.229 0.322 18357 686 1 7 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.300 -0.033 18357 687 1 7 . 1 1 12 12 ALA H H 12 7.911 7.911 7.943 -0.032 18357 688 1 7 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.198 0.423 18357 689 1 7 . 1 1 13 13 CYS H H 13 8.379 8.379 7.845 0.534 18357 690 1 7 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.108 -0.065 18357 691 1 7 . 1 1 14 14 ALA H H 14 7.595 7.595 8.113 -0.518 18357 692 1 7 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.103 0.132 18357 693 1 7 . 1 1 15 15 ALA H H 15 8.756 8.756 7.824 0.932 18357 694 1 7 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.311 -0.210 18357 695 1 7 . 1 1 16 16 ALA H H 16 8.587 8.587 7.456 1.131 18357 696 1 7 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.927 0.269 18357 697 1 7 . 1 1 17 17 ILE H H 17 8.505 8.505 8.382 0.123 18357 698 1 7 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.074 0.008 18357 699 1 7 . 1 1 18 18 ALA H H 18 8.304 8.304 8.307 -0.003 18357 700 1 7 . 1 1 19 19 GLY H H 19 8.402 8.402 8.486 -0.084 18357 701 1 7 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.121 -0.030 18357 702 1 7 . 1 1 20 20 ALA H H 20 7.985 7.985 7.703 0.282 18357 703 1 7 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.780 -0.363 18357 704 1 7 . 1 1 21 21 VAL H H 21 8.456 8.456 8.290 0.166 18357 705 1 7 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.068 0.039 18357 706 1 7 . 1 1 22 22 ALA H H 22 7.878 7.878 7.845 0.033 18357 707 1 7 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.191 -0.071 18357 708 1 7 . 1 1 23 23 ALA H H 23 8.032 8.032 7.543 0.489 18357 709 1 7 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.502 -0.005 18357 710 1 7 . 1 1 24 24 CYS H H 24 8.032 8.032 7.717 0.315 18357 711 1 7 . 1 1 25 25 GLY H H 25 7.977 7.977 8.614 -0.637 18357 712 1 7 . 1 1 26 26 GLY H H 26 8.098 8.098 7.734 0.364 18357 713 1 7 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.105 -0.258 18357 714 1 7 . 1 1 27 27 ILE H H 27 8.317 8.317 8.291 0.026 18357 715 1 7 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.890 -0.042 18357 716 1 7 . 1 1 28 28 ASP H H 28 7.216 7.216 8.162 -0.946 18357 717 1 7 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.971 -0.937 18357 718 1 7 . 1 1 29 29 LEU H H 29 8.845 8.845 8.019 0.826 18357 719 1 7 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.444 -0.286 18357 720 1 7 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.487 -0.315 18357 721 1 7 . 1 1 31 31 CYS H H 31 7.310 7.310 8.077 -0.767 18357 722 1 7 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.959 -0.751 18357 723 1 7 . 1 1 32 32 VAL H H 32 8.591 8.591 8.426 0.165 18357 724 1 7 . 1 1 33 33 LEU HA H 33 3.707 3.707 3.942 -0.235 18357 725 1 7 . 1 1 33 33 LEU H H 33 8.447 8.447 7.506 0.941 18357 726 1 7 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.044 0.057 18357 727 1 7 . 1 1 34 34 ALA H H 34 7.540 7.540 7.498 0.042 18357 728 1 7 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.387 -0.189 18357 729 1 7 . 1 1 35 35 ALA H H 35 7.796 7.796 7.393 0.403 18357 730 1 7 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.063 0.207 18357 731 1 7 . 1 1 36 36 LEU H H 36 7.850 7.850 8.682 -0.832 18357 732 1 7 . 1 1 37 37 LYS HA H 37 4.008 4.008 4.007 0.001 18357 733 1 7 . 1 1 37 37 LYS H H 37 7.336 7.336 7.954 -0.618 18357 734 1 7 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.422 -0.063 18357 735 1 7 . 1 1 38 38 ALA H H 38 7.863 7.863 7.356 0.507 18357 736 1 7 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.302 0.323 18357 737 1 7 . 1 1 39 39 ALA H H 39 7.862 7.862 7.423 0.439 18357 738 1 7 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.105 -0.075 18357 739 1 7 . 1 1 40 40 GLU H H 40 8.105 8.105 8.558 -0.453 18357 740 1 7 . 1 1 41 41 GLY H H 41 8.868 8.868 8.424 0.444 18357 741 1 7 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.976 -0.149 18357 742 1 7 . 1 1 42 42 CYS H H 42 8.402 8.402 8.559 -0.157 18357 743 1 7 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.089 -0.081 18357 744 1 7 . 1 1 43 43 ALA H H 43 9.090 9.090 8.439 0.651 18357 745 1 7 . 1 1 44 44 SER HA H 44 4.320 4.320 4.225 0.095 18357 746 1 7 . 1 1 44 44 SER H H 44 8.421 8.421 8.359 0.062 18357 747 1 7 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.361 -0.026 18357 748 1 7 . 1 1 45 45 CYS H H 45 7.166 7.166 7.650 -0.484 18357 749 1 7 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.210 0.400 18357 750 1 7 . 1 1 46 46 PHE H H 46 8.084 8.084 7.516 0.568 18357 751 1 7 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.479 0.734 18357 752 1 7 . 1 1 47 47 CYS H H 47 8.944 8.944 8.077 0.867 18357 753 1 7 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.004 -0.016 18357 754 1 7 . 1 1 48 48 GLU H H 48 7.982 7.982 7.445 0.537 18357 755 1 7 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.523 0.104 18357 756 1 7 . 1 1 49 49 ASP H H 49 6.826 6.826 7.335 -0.509 18357 757 1 7 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.950 -0.314 18357 758 1 7 . 1 1 50 50 HIS H H 50 7.297 7.297 7.208 0.089 18357 759 1 7 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.523 -0.014 18357 760 1 7 . 1 1 51 51 CYS H H 51 8.394 8.394 8.816 -0.422 18357 761 1 7 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.666 0.005 18357 762 1 7 . 1 1 52 52 HIS H H 52 8.321 8.321 7.874 0.447 18357 763 1 7 . 1 1 53 53 GLY H H 53 9.149 9.149 8.780 0.369 18357 764 1 7 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.118 -0.065 18357 765 1 7 . 1 1 54 54 VAL H H 54 8.993 8.993 8.201 0.792 18357 766 1 7 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.231 0.006 18357 767 1 7 . 1 1 55 55 CYS H H 55 7.249 7.249 7.957 -0.708 18357 768 1 7 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.376 -0.268 18357 769 1 7 . 1 1 56 56 LYS H H 56 6.535 6.535 7.361 -0.826 18357 770 1 7 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.383 -0.230 18357 771 1 7 . 1 1 57 57 ASP H H 57 8.435 8.435 7.758 0.677 18357 772 1 7 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.286 -0.047 18357 773 1 7 . 1 1 58 58 LEU H H 58 7.690 7.690 7.946 -0.256 18357 774 1 7 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.330 0.062 18357 775 1 7 . 1 1 59 59 HIS H H 59 7.947 7.947 7.673 0.274 18357 776 1 7 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.685 -0.337 18357 777 1 7 . 1 1 60 60 LEU H H 60 7.780 7.780 7.853 -0.073 18357 778 1 8 . 1 1 2 2 MET HA H 2 4.779 4.779 4.878 -0.099 18357 779 1 8 . 1 1 2 2 MET H H 2 8.721 8.721 8.596 0.125 18357 780 1 8 . 1 1 3 3 GLY H H 3 8.466 8.466 8.111 0.355 18357 781 1 8 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.220 0.099 18357 782 1 8 . 1 1 4 4 LYS H H 4 8.312 8.312 8.018 0.294 18357 783 1 8 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.472 0.110 18357 784 1 8 . 1 1 5 5 CYS H H 5 8.745 8.745 7.815 0.930 18357 785 1 8 . 1 1 6 6 SER HA H 6 4.505 4.505 4.317 0.188 18357 786 1 8 . 1 1 6 6 SER H H 6 8.457 8.457 8.334 0.123 18357 787 1 8 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.858 -0.118 18357 788 1 8 . 1 1 7 7 VAL H H 7 8.591 8.591 8.568 0.023 18357 789 1 8 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.300 -0.160 18357 790 1 8 . 1 1 8 8 LEU H H 8 7.751 7.751 7.938 -0.187 18357 791 1 8 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.109 -0.005 18357 792 1 8 . 1 1 9 9 LYS H H 9 7.834 7.834 8.323 -0.489 18357 793 1 8 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.109 -0.429 18357 794 1 8 . 1 1 10 10 LYS H H 10 8.602 8.602 7.762 0.840 18357 795 1 8 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.972 -0.205 18357 796 1 8 . 1 1 11 11 VAL H H 11 7.550 7.550 7.381 0.169 18357 797 1 8 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.341 -0.074 18357 798 1 8 . 1 1 12 12 ALA H H 12 7.911 7.911 7.539 0.372 18357 799 1 8 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.185 0.436 18357 800 1 8 . 1 1 13 13 CYS H H 13 8.379 8.379 8.467 -0.088 18357 801 1 8 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.065 -0.022 18357 802 1 8 . 1 1 14 14 ALA H H 14 7.595 7.595 8.295 -0.700 18357 803 1 8 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.104 0.131 18357 804 1 8 . 1 1 15 15 ALA H H 15 8.756 8.756 8.218 0.538 18357 805 1 8 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.183 -0.083 18357 806 1 8 . 1 1 16 16 ALA H H 16 8.587 8.587 7.835 0.752 18357 807 1 8 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.861 0.335 18357 808 1 8 . 1 1 17 17 ILE H H 17 8.505 8.505 8.231 0.274 18357 809 1 8 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.051 0.031 18357 810 1 8 . 1 1 18 18 ALA H H 18 8.304 8.304 8.663 -0.359 18357 811 1 8 . 1 1 19 19 GLY H H 19 8.402 8.402 8.109 0.293 18357 812 1 8 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.128 -0.037 18357 813 1 8 . 1 1 20 20 ALA H H 20 7.985 7.985 7.820 0.165 18357 814 1 8 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.647 -0.230 18357 815 1 8 . 1 1 21 21 VAL H H 21 8.456 8.456 7.685 0.771 18357 816 1 8 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.019 0.088 18357 817 1 8 . 1 1 22 22 ALA H H 22 7.878 7.878 8.141 -0.263 18357 818 1 8 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.182 -0.062 18357 819 1 8 . 1 1 23 23 ALA H H 23 8.032 8.032 7.889 0.143 18357 820 1 8 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.530 -0.033 18357 821 1 8 . 1 1 24 24 CYS H H 24 8.032 8.032 7.765 0.267 18357 822 1 8 . 1 1 25 25 GLY H H 25 7.977 7.977 8.579 -0.602 18357 823 1 8 . 1 1 26 26 GLY H H 26 8.098 8.098 7.633 0.465 18357 824 1 8 . 1 1 27 27 ILE HA H 27 3.847 3.847 3.921 -0.074 18357 825 1 8 . 1 1 27 27 ILE H H 27 8.317 8.317 8.434 -0.117 18357 826 1 8 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.936 -0.088 18357 827 1 8 . 1 1 28 28 ASP H H 28 7.216 7.216 8.470 -1.254 18357 828 1 8 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.924 -0.890 18357 829 1 8 . 1 1 29 29 LEU H H 29 8.845 8.845 7.714 1.131 18357 830 1 8 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.434 -0.276 18357 831 1 8 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.525 -0.353 18357 832 1 8 . 1 1 31 31 CYS H H 31 7.310 7.310 7.984 -0.674 18357 833 1 8 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.796 -0.588 18357 834 1 8 . 1 1 32 32 VAL H H 32 8.591 8.591 8.728 -0.137 18357 835 1 8 . 1 1 33 33 LEU HA H 33 3.707 3.707 3.996 -0.289 18357 836 1 8 . 1 1 33 33 LEU H H 33 8.447 8.447 7.705 0.742 18357 837 1 8 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.149 -0.048 18357 838 1 8 . 1 1 34 34 ALA H H 34 7.540 7.540 7.573 -0.033 18357 839 1 8 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.423 -0.225 18357 840 1 8 . 1 1 35 35 ALA H H 35 7.796 7.796 7.421 0.375 18357 841 1 8 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.060 0.210 18357 842 1 8 . 1 1 36 36 LEU H H 36 7.850 7.850 8.855 -1.005 18357 843 1 8 . 1 1 37 37 LYS HA H 37 4.008 4.008 3.984 0.024 18357 844 1 8 . 1 1 37 37 LYS H H 37 7.336 7.336 7.593 -0.257 18357 845 1 8 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.279 0.080 18357 846 1 8 . 1 1 38 38 ALA H H 38 7.863 7.863 7.360 0.503 18357 847 1 8 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.305 0.320 18357 848 1 8 . 1 1 39 39 ALA H H 39 7.862 7.862 7.629 0.233 18357 849 1 8 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.206 -0.176 18357 850 1 8 . 1 1 40 40 GLU H H 40 8.105 8.105 8.623 -0.518 18357 851 1 8 . 1 1 41 41 GLY H H 41 8.868 8.868 7.458 1.410 18357 852 1 8 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.801 0.026 18357 853 1 8 . 1 1 42 42 CYS H H 42 8.402 8.402 8.583 -0.181 18357 854 1 8 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.109 -0.101 18357 855 1 8 . 1 1 43 43 ALA H H 43 9.090 9.090 8.506 0.584 18357 856 1 8 . 1 1 44 44 SER HA H 44 4.320 4.320 4.261 0.059 18357 857 1 8 . 1 1 44 44 SER H H 44 8.421 8.421 8.307 0.114 18357 858 1 8 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.373 -0.038 18357 859 1 8 . 1 1 45 45 CYS H H 45 7.166 7.166 7.853 -0.687 18357 860 1 8 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.259 0.351 18357 861 1 8 . 1 1 46 46 PHE H H 46 8.084 8.084 7.634 0.450 18357 862 1 8 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.509 0.704 18357 863 1 8 . 1 1 47 47 CYS H H 47 8.944 8.944 8.382 0.562 18357 864 1 8 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.040 -0.052 18357 865 1 8 . 1 1 48 48 GLU H H 48 7.982 7.982 7.462 0.520 18357 866 1 8 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.396 0.231 18357 867 1 8 . 1 1 49 49 ASP H H 49 6.826 6.826 7.882 -1.056 18357 868 1 8 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.756 -0.120 18357 869 1 8 . 1 1 50 50 HIS H H 50 7.297 7.297 7.665 -0.368 18357 870 1 8 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.495 0.014 18357 871 1 8 . 1 1 51 51 CYS H H 51 8.394 8.394 8.319 0.075 18357 872 1 8 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.569 0.102 18357 873 1 8 . 1 1 52 52 HIS H H 52 8.321 8.321 8.477 -0.156 18357 874 1 8 . 1 1 53 53 GLY H H 53 9.149 9.149 8.584 0.565 18357 875 1 8 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.173 -0.120 18357 876 1 8 . 1 1 54 54 VAL H H 54 8.993 8.993 8.089 0.904 18357 877 1 8 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.181 0.056 18357 878 1 8 . 1 1 55 55 CYS H H 55 7.249 7.249 8.252 -1.003 18357 879 1 8 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.257 -0.149 18357 880 1 8 . 1 1 56 56 LYS H H 56 6.535 6.535 7.727 -1.192 18357 881 1 8 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.585 -0.432 18357 882 1 8 . 1 1 57 57 ASP H H 57 8.435 8.435 7.876 0.559 18357 883 1 8 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.424 -0.185 18357 884 1 8 . 1 1 58 58 LEU H H 58 7.690 7.690 8.215 -0.525 18357 885 1 8 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.307 0.085 18357 886 1 8 . 1 1 59 59 HIS H H 59 7.947 7.947 8.149 -0.202 18357 887 1 8 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.799 -0.451 18357 888 1 8 . 1 1 60 60 LEU H H 60 7.780 7.780 8.674 -0.893 18357 889 1 9 . 1 1 2 2 MET HA H 2 4.779 4.779 4.582 0.197 18357 890 1 9 . 1 1 2 2 MET H H 2 8.721 8.721 8.368 0.353 18357 891 1 9 . 1 1 3 3 GLY H H 3 8.466 8.466 7.772 0.694 18357 892 1 9 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.264 0.055 18357 893 1 9 . 1 1 4 4 LYS H H 4 8.312 8.312 8.569 -0.257 18357 894 1 9 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.743 -0.161 18357 895 1 9 . 1 1 5 5 CYS H H 5 8.745 8.745 8.355 0.390 18357 896 1 9 . 1 1 6 6 SER HA H 6 4.505 4.505 4.373 0.132 18357 897 1 9 . 1 1 6 6 SER H H 6 8.457 8.457 8.010 0.447 18357 898 1 9 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.755 -0.014 18357 899 1 9 . 1 1 7 7 VAL H H 7 8.591 8.591 8.654 -0.063 18357 900 1 9 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.285 -0.145 18357 901 1 9 . 1 1 8 8 LEU H H 8 7.751 7.751 7.931 -0.180 18357 902 1 9 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.192 -0.088 18357 903 1 9 . 1 1 9 9 LYS H H 9 7.834 7.834 8.200 -0.366 18357 904 1 9 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.295 -0.615 18357 905 1 9 . 1 1 10 10 LYS H H 10 8.602 8.602 8.034 0.568 18357 906 1 9 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.879 -0.112 18357 907 1 9 . 1 1 11 11 VAL H H 11 7.550 7.550 7.301 0.249 18357 908 1 9 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.493 -0.226 18357 909 1 9 . 1 1 12 12 ALA H H 12 7.911 7.911 7.399 0.512 18357 910 1 9 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.178 0.443 18357 911 1 9 . 1 1 13 13 CYS H H 13 8.379 8.379 7.940 0.439 18357 912 1 9 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.095 -0.052 18357 913 1 9 . 1 1 14 14 ALA H H 14 7.595 7.595 8.461 -0.866 18357 914 1 9 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.245 -0.010 18357 915 1 9 . 1 1 15 15 ALA H H 15 8.756 8.756 7.309 1.447 18357 916 1 9 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.116 -0.016 18357 917 1 9 . 1 1 16 16 ALA H H 16 8.587 8.587 8.024 0.563 18357 918 1 9 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.785 0.411 18357 919 1 9 . 1 1 17 17 ILE H H 17 8.505 8.505 8.590 -0.085 18357 920 1 9 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.050 0.032 18357 921 1 9 . 1 1 18 18 ALA H H 18 8.304 8.304 7.782 0.522 18357 922 1 9 . 1 1 19 19 GLY H H 19 8.402 8.402 7.834 0.568 18357 923 1 9 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.192 -0.101 18357 924 1 9 . 1 1 20 20 ALA H H 20 7.985 7.985 7.622 0.363 18357 925 1 9 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.792 -0.375 18357 926 1 9 . 1 1 21 21 VAL H H 21 8.456 8.456 8.249 0.207 18357 927 1 9 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.031 0.076 18357 928 1 9 . 1 1 22 22 ALA H H 22 7.878 7.878 8.096 -0.218 18357 929 1 9 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.135 -0.015 18357 930 1 9 . 1 1 23 23 ALA H H 23 8.032 8.032 7.581 0.451 18357 931 1 9 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.522 -0.025 18357 932 1 9 . 1 1 24 24 CYS H H 24 8.032 8.032 7.863 0.169 18357 933 1 9 . 1 1 25 25 GLY H H 25 7.977 7.977 8.593 -0.616 18357 934 1 9 . 1 1 26 26 GLY H H 26 8.098 8.098 7.818 0.280 18357 935 1 9 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.177 -0.330 18357 936 1 9 . 1 1 27 27 ILE H H 27 8.317 8.317 8.324 -0.007 18357 937 1 9 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.992 -0.144 18357 938 1 9 . 1 1 28 28 ASP H H 28 7.216 7.216 8.481 -1.265 18357 939 1 9 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.926 -0.892 18357 940 1 9 . 1 1 29 29 LEU H H 29 8.845 8.845 7.845 1.000 18357 941 1 9 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.402 -0.244 18357 942 1 9 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.517 -0.345 18357 943 1 9 . 1 1 31 31 CYS H H 31 7.310 7.310 8.060 -0.750 18357 944 1 9 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.919 -0.711 18357 945 1 9 . 1 1 32 32 VAL H H 32 8.591 8.591 8.562 0.029 18357 946 1 9 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.058 -0.351 18357 947 1 9 . 1 1 33 33 LEU H H 33 8.447 8.447 7.533 0.914 18357 948 1 9 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.351 -0.250 18357 949 1 9 . 1 1 34 34 ALA H H 34 7.540 7.540 7.891 -0.351 18357 950 1 9 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.355 -0.157 18357 951 1 9 . 1 1 35 35 ALA H H 35 7.796 7.796 7.618 0.178 18357 952 1 9 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.080 0.190 18357 953 1 9 . 1 1 36 36 LEU H H 36 7.850 7.850 8.702 -0.852 18357 954 1 9 . 1 1 37 37 LYS HA H 37 4.008 4.008 3.911 0.097 18357 955 1 9 . 1 1 37 37 LYS H H 37 7.336 7.336 8.182 -0.846 18357 956 1 9 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.128 0.231 18357 957 1 9 . 1 1 38 38 ALA H H 38 7.863 7.863 7.321 0.542 18357 958 1 9 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.230 0.395 18357 959 1 9 . 1 1 39 39 ALA H H 39 7.862 7.862 7.682 0.180 18357 960 1 9 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.061 -0.031 18357 961 1 9 . 1 1 40 40 GLU H H 40 8.105 8.105 8.597 -0.492 18357 962 1 9 . 1 1 41 41 GLY H H 41 8.868 8.868 8.221 0.647 18357 963 1 9 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.971 -0.144 18357 964 1 9 . 1 1 42 42 CYS H H 42 8.402 8.402 8.403 -0.001 18357 965 1 9 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.108 -0.100 18357 966 1 9 . 1 1 43 43 ALA H H 43 9.090 9.090 8.594 0.496 18357 967 1 9 . 1 1 44 44 SER HA H 44 4.320 4.320 4.101 0.219 18357 968 1 9 . 1 1 44 44 SER H H 44 8.421 8.421 8.171 0.250 18357 969 1 9 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.208 0.127 18357 970 1 9 . 1 1 45 45 CYS H H 45 7.166 7.166 7.380 -0.214 18357 971 1 9 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.144 0.466 18357 972 1 9 . 1 1 46 46 PHE H H 46 8.084 8.084 7.672 0.412 18357 973 1 9 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.577 0.636 18357 974 1 9 . 1 1 47 47 CYS H H 47 8.944 8.944 8.317 0.627 18357 975 1 9 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.131 -0.143 18357 976 1 9 . 1 1 48 48 GLU H H 48 7.982 7.982 7.461 0.521 18357 977 1 9 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.499 0.128 18357 978 1 9 . 1 1 49 49 ASP H H 49 6.826 6.826 8.459 -1.633 18357 979 1 9 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.246 0.390 18357 980 1 9 . 1 1 50 50 HIS H H 50 7.297 7.297 8.145 -0.848 18357 981 1 9 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.482 0.027 18357 982 1 9 . 1 1 51 51 CYS H H 51 8.394 8.394 8.296 0.098 18357 983 1 9 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.510 0.161 18357 984 1 9 . 1 1 52 52 HIS H H 52 8.321 8.321 8.508 -0.187 18357 985 1 9 . 1 1 53 53 GLY H H 53 9.149 9.149 8.642 0.507 18357 986 1 9 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.422 -0.369 18357 987 1 9 . 1 1 54 54 VAL H H 54 8.993 8.993 8.143 0.850 18357 988 1 9 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.214 0.023 18357 989 1 9 . 1 1 55 55 CYS H H 55 7.249 7.249 8.517 -1.268 18357 990 1 9 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.217 -0.109 18357 991 1 9 . 1 1 56 56 LYS H H 56 6.535 6.535 8.051 -1.516 18357 992 1 9 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.613 -0.460 18357 993 1 9 . 1 1 57 57 ASP H H 57 8.435 8.435 7.913 0.522 18357 994 1 9 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.396 -0.157 18357 995 1 9 . 1 1 58 58 LEU H H 58 7.690 7.690 8.036 -0.346 18357 996 1 9 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.354 0.038 18357 997 1 9 . 1 1 59 59 HIS H H 59 7.947 7.947 7.580 0.367 18357 998 1 9 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.740 -0.392 18357 999 1 9 . 1 1 60 60 LEU H H 60 7.780 7.780 8.506 -0.726 18357 1000 1 10 . 1 1 2 2 MET HA H 2 4.779 4.779 4.709 0.070 18357 1001 1 10 . 1 1 2 2 MET H H 2 8.721 8.721 8.967 -0.246 18357 1002 1 10 . 1 1 3 3 GLY H H 3 8.466 8.466 7.384 1.082 18357 1003 1 10 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.267 0.052 18357 1004 1 10 . 1 1 4 4 LYS H H 4 8.312 8.312 8.325 -0.013 18357 1005 1 10 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.775 -0.193 18357 1006 1 10 . 1 1 5 5 CYS H H 5 8.745 8.745 7.949 0.796 18357 1007 1 10 . 1 1 6 6 SER HA H 6 4.505 4.505 4.589 -0.084 18357 1008 1 10 . 1 1 6 6 SER H H 6 8.457 8.457 8.276 0.181 18357 1009 1 10 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.895 -0.155 18357 1010 1 10 . 1 1 7 7 VAL H H 7 8.591 8.591 8.468 0.123 18357 1011 1 10 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.290 -0.150 18357 1012 1 10 . 1 1 8 8 LEU H H 8 7.751 7.751 7.906 -0.155 18357 1013 1 10 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.166 -0.062 18357 1014 1 10 . 1 1 9 9 LYS H H 9 7.834 7.834 7.730 0.104 18357 1015 1 10 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.160 -0.480 18357 1016 1 10 . 1 1 10 10 LYS H H 10 8.602 8.602 7.449 1.153 18357 1017 1 10 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.897 -0.130 18357 1018 1 10 . 1 1 11 11 VAL H H 11 7.550 7.550 7.237 0.313 18357 1019 1 10 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.543 -0.276 18357 1020 1 10 . 1 1 12 12 ALA H H 12 7.911 7.911 7.485 0.426 18357 1021 1 10 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.193 0.428 18357 1022 1 10 . 1 1 13 13 CYS H H 13 8.379 8.379 7.807 0.572 18357 1023 1 10 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.050 -0.007 18357 1024 1 10 . 1 1 14 14 ALA H H 14 7.595 7.595 8.462 -0.867 18357 1025 1 10 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.104 0.131 18357 1026 1 10 . 1 1 15 15 ALA H H 15 8.756 8.756 7.955 0.801 18357 1027 1 10 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.179 -0.079 18357 1028 1 10 . 1 1 16 16 ALA H H 16 8.587 8.587 7.257 1.330 18357 1029 1 10 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.834 0.362 18357 1030 1 10 . 1 1 17 17 ILE H H 17 8.505 8.505 8.185 0.320 18357 1031 1 10 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.044 0.038 18357 1032 1 10 . 1 1 18 18 ALA H H 18 8.304 8.304 8.765 -0.461 18357 1033 1 10 . 1 1 19 19 GLY H H 19 8.402 8.402 8.137 0.265 18357 1034 1 10 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.193 -0.102 18357 1035 1 10 . 1 1 20 20 ALA H H 20 7.985 7.985 7.586 0.399 18357 1036 1 10 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.860 -0.443 18357 1037 1 10 . 1 1 21 21 VAL H H 21 8.456 8.456 8.507 -0.051 18357 1038 1 10 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.038 0.069 18357 1039 1 10 . 1 1 22 22 ALA H H 22 7.878 7.878 8.039 -0.161 18357 1040 1 10 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.141 -0.021 18357 1041 1 10 . 1 1 23 23 ALA H H 23 8.032 8.032 7.482 0.550 18357 1042 1 10 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.513 -0.016 18357 1043 1 10 . 1 1 24 24 CYS H H 24 8.032 8.032 7.879 0.153 18357 1044 1 10 . 1 1 25 25 GLY H H 25 7.977 7.977 8.703 -0.726 18357 1045 1 10 . 1 1 26 26 GLY H H 26 8.098 8.098 7.606 0.492 18357 1046 1 10 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.142 -0.295 18357 1047 1 10 . 1 1 27 27 ILE H H 27 8.317 8.317 8.366 -0.049 18357 1048 1 10 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.931 -0.083 18357 1049 1 10 . 1 1 28 28 ASP H H 28 7.216 7.216 8.480 -1.264 18357 1050 1 10 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.785 -0.751 18357 1051 1 10 . 1 1 29 29 LEU H H 29 8.845 8.845 7.733 1.112 18357 1052 1 10 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.426 -0.268 18357 1053 1 10 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.424 -0.252 18357 1054 1 10 . 1 1 31 31 CYS H H 31 7.310 7.310 7.978 -0.668 18357 1055 1 10 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.986 -0.778 18357 1056 1 10 . 1 1 32 32 VAL H H 32 8.591 8.591 8.500 0.091 18357 1057 1 10 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.055 -0.348 18357 1058 1 10 . 1 1 33 33 LEU H H 33 8.447 8.447 7.310 1.137 18357 1059 1 10 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.341 -0.240 18357 1060 1 10 . 1 1 34 34 ALA H H 34 7.540 7.540 7.575 -0.035 18357 1061 1 10 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.476 -0.278 18357 1062 1 10 . 1 1 35 35 ALA H H 35 7.796 7.796 7.517 0.279 18357 1063 1 10 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.067 0.203 18357 1064 1 10 . 1 1 36 36 LEU H H 36 7.850 7.850 8.593 -0.743 18357 1065 1 10 . 1 1 37 37 LYS HA H 37 4.008 4.008 3.965 0.043 18357 1066 1 10 . 1 1 37 37 LYS H H 37 7.336 7.336 8.275 -0.939 18357 1067 1 10 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.543 -0.184 18357 1068 1 10 . 1 1 38 38 ALA H H 38 7.863 7.863 7.289 0.574 18357 1069 1 10 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.434 0.191 18357 1070 1 10 . 1 1 39 39 ALA H H 39 7.862 7.862 7.571 0.291 18357 1071 1 10 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.026 0.004 18357 1072 1 10 . 1 1 40 40 GLU H H 40 8.105 8.105 7.966 0.139 18357 1073 1 10 . 1 1 41 41 GLY H H 41 8.868 8.868 8.431 0.437 18357 1074 1 10 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.965 -0.138 18357 1075 1 10 . 1 1 42 42 CYS H H 42 8.402 8.402 7.727 0.675 18357 1076 1 10 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.024 -0.016 18357 1077 1 10 . 1 1 43 43 ALA H H 43 9.090 9.090 8.480 0.610 18357 1078 1 10 . 1 1 44 44 SER HA H 44 4.320 4.320 4.122 0.199 18357 1079 1 10 . 1 1 44 44 SER H H 44 8.421 8.421 8.532 -0.111 18357 1080 1 10 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.303 0.032 18357 1081 1 10 . 1 1 45 45 CYS H H 45 7.166 7.166 7.600 -0.434 18357 1082 1 10 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.213 0.397 18357 1083 1 10 . 1 1 46 46 PHE H H 46 8.084 8.084 7.708 0.376 18357 1084 1 10 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.571 0.642 18357 1085 1 10 . 1 1 47 47 CYS H H 47 8.944 8.944 8.493 0.451 18357 1086 1 10 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.033 -0.045 18357 1087 1 10 . 1 1 48 48 GLU H H 48 7.982 7.982 7.393 0.589 18357 1088 1 10 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.414 0.213 18357 1089 1 10 . 1 1 49 49 ASP H H 49 6.826 6.826 8.188 -1.362 18357 1090 1 10 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.393 0.243 18357 1091 1 10 . 1 1 50 50 HIS H H 50 7.297 7.297 7.711 -0.414 18357 1092 1 10 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.309 0.200 18357 1093 1 10 . 1 1 51 51 CYS H H 51 8.394 8.394 7.987 0.407 18357 1094 1 10 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.604 0.067 18357 1095 1 10 . 1 1 52 52 HIS H H 52 8.321 8.321 7.923 0.398 18357 1096 1 10 . 1 1 53 53 GLY H H 53 9.149 9.149 8.750 0.399 18357 1097 1 10 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.228 -0.175 18357 1098 1 10 . 1 1 54 54 VAL H H 54 8.993 8.993 8.390 0.603 18357 1099 1 10 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.206 0.031 18357 1100 1 10 . 1 1 55 55 CYS H H 55 7.249 7.249 8.169 -0.920 18357 1101 1 10 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.122 -0.014 18357 1102 1 10 . 1 1 56 56 LYS H H 56 6.535 6.535 7.641 -1.106 18357 1103 1 10 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.630 -0.477 18357 1104 1 10 . 1 1 57 57 ASP H H 57 8.435 8.435 7.945 0.490 18357 1105 1 10 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.374 -0.135 18357 1106 1 10 . 1 1 58 58 LEU H H 58 7.690 7.690 7.960 -0.270 18357 1107 1 10 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.280 0.112 18357 1108 1 10 . 1 1 59 59 HIS H H 59 7.947 7.947 8.114 -0.167 18357 1109 1 10 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.668 -0.320 18357 1110 1 10 . 1 1 60 60 LEU H H 60 7.780 7.780 8.278 -0.498 18357 1111 1 11 . 1 1 2 2 MET HA H 2 4.779 4.779 4.479 0.300 18357 1112 1 11 . 1 1 2 2 MET H H 2 8.721 8.721 8.836 -0.115 18357 1113 1 11 . 1 1 3 3 GLY H H 3 8.466 8.466 8.296 0.170 18357 1114 1 11 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.449 -0.130 18357 1115 1 11 . 1 1 4 4 LYS H H 4 8.312 8.312 8.049 0.263 18357 1116 1 11 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.800 -0.218 18357 1117 1 11 . 1 1 5 5 CYS H H 5 8.745 8.745 7.320 1.425 18357 1118 1 11 . 1 1 6 6 SER HA H 6 4.505 4.505 4.508 -0.003 18357 1119 1 11 . 1 1 6 6 SER H H 6 8.457 8.457 8.158 0.299 18357 1120 1 11 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.805 -0.065 18357 1121 1 11 . 1 1 7 7 VAL H H 7 8.591 8.591 8.435 0.156 18357 1122 1 11 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.286 -0.146 18357 1123 1 11 . 1 1 8 8 LEU H H 8 7.751 7.751 8.074 -0.323 18357 1124 1 11 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.117 -0.013 18357 1125 1 11 . 1 1 9 9 LYS H H 9 7.834 7.834 7.541 0.293 18357 1126 1 11 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.199 -0.519 18357 1127 1 11 . 1 1 10 10 LYS H H 10 8.602 8.602 7.820 0.782 18357 1128 1 11 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.957 -0.190 18357 1129 1 11 . 1 1 11 11 VAL H H 11 7.550 7.550 7.388 0.162 18357 1130 1 11 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.312 -0.045 18357 1131 1 11 . 1 1 12 12 ALA H H 12 7.911 7.911 7.590 0.321 18357 1132 1 11 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.131 0.490 18357 1133 1 11 . 1 1 13 13 CYS H H 13 8.379 8.379 8.487 -0.108 18357 1134 1 11 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.085 -0.042 18357 1135 1 11 . 1 1 14 14 ALA H H 14 7.595 7.595 8.460 -0.865 18357 1136 1 11 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.250 -0.015 18357 1137 1 11 . 1 1 15 15 ALA H H 15 8.756 8.756 7.330 1.426 18357 1138 1 11 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.065 0.035 18357 1139 1 11 . 1 1 16 16 ALA H H 16 8.587 8.587 8.312 0.275 18357 1140 1 11 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.765 0.431 18357 1141 1 11 . 1 1 17 17 ILE H H 17 8.505 8.505 8.472 0.033 18357 1142 1 11 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.017 0.065 18357 1143 1 11 . 1 1 18 18 ALA H H 18 8.304 8.304 7.646 0.658 18357 1144 1 11 . 1 1 19 19 GLY H H 19 8.402 8.402 7.890 0.512 18357 1145 1 11 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.116 -0.025 18357 1146 1 11 . 1 1 20 20 ALA H H 20 7.985 7.985 7.657 0.328 18357 1147 1 11 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.750 -0.333 18357 1148 1 11 . 1 1 21 21 VAL H H 21 8.456 8.456 8.065 0.391 18357 1149 1 11 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.033 0.074 18357 1150 1 11 . 1 1 22 22 ALA H H 22 7.878 7.878 7.880 -0.002 18357 1151 1 11 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.172 -0.052 18357 1152 1 11 . 1 1 23 23 ALA H H 23 8.032 8.032 7.506 0.526 18357 1153 1 11 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.489 0.008 18357 1154 1 11 . 1 1 24 24 CYS H H 24 8.032 8.032 7.789 0.243 18357 1155 1 11 . 1 1 25 25 GLY H H 25 7.977 7.977 8.607 -0.630 18357 1156 1 11 . 1 1 26 26 GLY H H 26 8.098 8.098 8.668 -0.570 18357 1157 1 11 . 1 1 27 27 ILE HA H 27 3.847 3.847 3.964 -0.117 18357 1158 1 11 . 1 1 27 27 ILE H H 27 8.317 8.317 8.518 -0.201 18357 1159 1 11 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.802 0.046 18357 1160 1 11 . 1 1 28 28 ASP H H 28 7.216 7.216 8.439 -1.223 18357 1161 1 11 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.980 -0.946 18357 1162 1 11 . 1 1 29 29 LEU H H 29 8.845 8.845 8.042 0.803 18357 1163 1 11 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.472 -0.314 18357 1164 1 11 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.536 -0.364 18357 1165 1 11 . 1 1 31 31 CYS H H 31 7.310 7.310 8.213 -0.903 18357 1166 1 11 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.979 -0.771 18357 1167 1 11 . 1 1 32 32 VAL H H 32 8.591 8.591 8.671 -0.080 18357 1168 1 11 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.042 -0.335 18357 1169 1 11 . 1 1 33 33 LEU H H 33 8.447 8.447 7.610 0.837 18357 1170 1 11 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.285 -0.184 18357 1171 1 11 . 1 1 34 34 ALA H H 34 7.540 7.540 7.662 -0.122 18357 1172 1 11 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.457 -0.259 18357 1173 1 11 . 1 1 35 35 ALA H H 35 7.796 7.796 7.471 0.325 18357 1174 1 11 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.061 0.209 18357 1175 1 11 . 1 1 36 36 LEU H H 36 7.850 7.850 8.806 -0.956 18357 1176 1 11 . 1 1 37 37 LYS HA H 37 4.008 4.008 4.006 0.002 18357 1177 1 11 . 1 1 37 37 LYS H H 37 7.336 7.336 7.807 -0.471 18357 1178 1 11 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.242 0.117 18357 1179 1 11 . 1 1 38 38 ALA H H 38 7.863 7.863 7.306 0.557 18357 1180 1 11 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.272 0.353 18357 1181 1 11 . 1 1 39 39 ALA H H 39 7.862 7.862 7.605 0.257 18357 1182 1 11 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.070 -0.040 18357 1183 1 11 . 1 1 40 40 GLU H H 40 8.105 8.105 8.719 -0.614 18357 1184 1 11 . 1 1 41 41 GLY H H 41 8.868 8.868 8.046 0.822 18357 1185 1 11 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.952 -0.125 18357 1186 1 11 . 1 1 42 42 CYS H H 42 8.402 8.402 8.636 -0.234 18357 1187 1 11 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.037 -0.029 18357 1188 1 11 . 1 1 43 43 ALA H H 43 9.090 9.090 8.499 0.591 18357 1189 1 11 . 1 1 44 44 SER HA H 44 4.320 4.320 4.167 0.153 18357 1190 1 11 . 1 1 44 44 SER H H 44 8.421 8.421 8.269 0.152 18357 1191 1 11 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.297 0.038 18357 1192 1 11 . 1 1 45 45 CYS H H 45 7.166 7.166 7.746 -0.580 18357 1193 1 11 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.111 0.499 18357 1194 1 11 . 1 1 46 46 PHE H H 46 8.084 8.084 7.631 0.453 18357 1195 1 11 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.426 0.787 18357 1196 1 11 . 1 1 47 47 CYS H H 47 8.944 8.944 7.996 0.948 18357 1197 1 11 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.020 -0.032 18357 1198 1 11 . 1 1 48 48 GLU H H 48 7.982 7.982 7.483 0.499 18357 1199 1 11 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.517 0.110 18357 1200 1 11 . 1 1 49 49 ASP H H 49 6.826 6.826 8.394 -1.568 18357 1201 1 11 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.842 -0.206 18357 1202 1 11 . 1 1 50 50 HIS H H 50 7.297 7.297 7.626 -0.329 18357 1203 1 11 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.368 0.141 18357 1204 1 11 . 1 1 51 51 CYS H H 51 8.394 8.394 8.518 -0.124 18357 1205 1 11 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.628 0.043 18357 1206 1 11 . 1 1 52 52 HIS H H 52 8.321 8.321 8.679 -0.358 18357 1207 1 11 . 1 1 53 53 GLY H H 53 9.149 9.149 8.610 0.539 18357 1208 1 11 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.291 -0.238 18357 1209 1 11 . 1 1 54 54 VAL H H 54 8.993 8.993 8.184 0.809 18357 1210 1 11 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.163 0.074 18357 1211 1 11 . 1 1 55 55 CYS H H 55 7.249 7.249 8.052 -0.803 18357 1212 1 11 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.150 -0.042 18357 1213 1 11 . 1 1 56 56 LYS H H 56 6.535 6.535 8.021 -1.486 18357 1214 1 11 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.491 -0.338 18357 1215 1 11 . 1 1 57 57 ASP H H 57 8.435 8.435 7.509 0.926 18357 1216 1 11 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.155 0.084 18357 1217 1 11 . 1 1 58 58 LEU H H 58 7.690 7.690 8.505 -0.815 18357 1218 1 11 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.266 0.126 18357 1219 1 11 . 1 1 59 59 HIS H H 59 7.947 7.947 7.952 -0.005 18357 1220 1 11 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.689 -0.341 18357 1221 1 11 . 1 1 60 60 LEU H H 60 7.780 7.780 8.221 -0.441 18357 1222 1 12 . 1 1 2 2 MET HA H 2 4.779 4.779 4.612 0.167 18357 1223 1 12 . 1 1 2 2 MET H H 2 8.721 8.721 8.632 0.089 18357 1224 1 12 . 1 1 3 3 GLY H H 3 8.466 8.466 8.052 0.414 18357 1225 1 12 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.393 -0.074 18357 1226 1 12 . 1 1 4 4 LYS H H 4 8.312 8.312 8.611 -0.299 18357 1227 1 12 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.867 -0.285 18357 1228 1 12 . 1 1 5 5 CYS H H 5 8.745 8.745 7.995 0.750 18357 1229 1 12 . 1 1 6 6 SER HA H 6 4.505 4.505 4.445 0.060 18357 1230 1 12 . 1 1 6 6 SER H H 6 8.457 8.457 8.431 0.026 18357 1231 1 12 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.810 -0.070 18357 1232 1 12 . 1 1 7 7 VAL H H 7 8.591 8.591 8.632 -0.041 18357 1233 1 12 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.430 -0.290 18357 1234 1 12 . 1 1 8 8 LEU H H 8 7.751 7.751 7.803 -0.052 18357 1235 1 12 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.078 0.026 18357 1236 1 12 . 1 1 9 9 LYS H H 9 7.834 7.834 8.316 -0.482 18357 1237 1 12 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.248 -0.568 18357 1238 1 12 . 1 1 10 10 LYS H H 10 8.602 8.602 7.870 0.732 18357 1239 1 12 . 1 1 11 11 VAL HA H 11 3.767 3.767 4.036 -0.269 18357 1240 1 12 . 1 1 11 11 VAL H H 11 7.550 7.550 7.430 0.120 18357 1241 1 12 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.493 -0.226 18357 1242 1 12 . 1 1 12 12 ALA H H 12 7.911 7.911 7.716 0.195 18357 1243 1 12 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.166 0.455 18357 1244 1 12 . 1 1 13 13 CYS H H 13 8.379 8.379 7.901 0.478 18357 1245 1 12 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.178 -0.135 18357 1246 1 12 . 1 1 14 14 ALA H H 14 7.595 7.595 8.417 -0.822 18357 1247 1 12 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.354 -0.119 18357 1248 1 12 . 1 1 15 15 ALA H H 15 8.756 8.756 7.480 1.276 18357 1249 1 12 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.122 -0.022 18357 1250 1 12 . 1 1 16 16 ALA H H 16 8.587 8.587 7.827 0.760 18357 1251 1 12 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.807 0.389 18357 1252 1 12 . 1 1 17 17 ILE H H 17 8.505 8.505 8.591 -0.086 18357 1253 1 12 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.012 0.070 18357 1254 1 12 . 1 1 18 18 ALA H H 18 8.304 8.304 7.633 0.671 18357 1255 1 12 . 1 1 19 19 GLY H H 19 8.402 8.402 7.883 0.519 18357 1256 1 12 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.205 -0.114 18357 1257 1 12 . 1 1 20 20 ALA H H 20 7.985 7.985 7.745 0.240 18357 1258 1 12 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.801 -0.384 18357 1259 1 12 . 1 1 21 21 VAL H H 21 8.456 8.456 7.885 0.571 18357 1260 1 12 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.030 0.077 18357 1261 1 12 . 1 1 22 22 ALA H H 22 7.878 7.878 8.306 -0.428 18357 1262 1 12 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.129 -0.009 18357 1263 1 12 . 1 1 23 23 ALA H H 23 8.032 8.032 7.455 0.577 18357 1264 1 12 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.551 -0.054 18357 1265 1 12 . 1 1 24 24 CYS H H 24 8.032 8.032 7.929 0.103 18357 1266 1 12 . 1 1 25 25 GLY H H 25 7.977 7.977 8.609 -0.632 18357 1267 1 12 . 1 1 26 26 GLY H H 26 8.098 8.098 7.594 0.504 18357 1268 1 12 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.059 -0.212 18357 1269 1 12 . 1 1 27 27 ILE H H 27 8.317 8.317 8.405 -0.088 18357 1270 1 12 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.846 0.002 18357 1271 1 12 . 1 1 28 28 ASP H H 28 7.216 7.216 8.717 -1.501 18357 1272 1 12 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.675 -0.641 18357 1273 1 12 . 1 1 29 29 LEU H H 29 8.845 8.845 7.653 1.192 18357 1274 1 12 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.345 -0.187 18357 1275 1 12 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.390 -0.218 18357 1276 1 12 . 1 1 31 31 CYS H H 31 7.310 7.310 7.923 -0.613 18357 1277 1 12 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.874 -0.666 18357 1278 1 12 . 1 1 32 32 VAL H H 32 8.591 8.591 8.422 0.169 18357 1279 1 12 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.090 -0.383 18357 1280 1 12 . 1 1 33 33 LEU H H 33 8.447 8.447 7.627 0.820 18357 1281 1 12 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.456 -0.355 18357 1282 1 12 . 1 1 34 34 ALA H H 34 7.540 7.540 7.475 0.065 18357 1283 1 12 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.448 -0.250 18357 1284 1 12 . 1 1 35 35 ALA H H 35 7.796 7.796 7.472 0.324 18357 1285 1 12 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.089 0.181 18357 1286 1 12 . 1 1 36 36 LEU H H 36 7.850 7.850 8.692 -0.842 18357 1287 1 12 . 1 1 37 37 LYS HA H 37 4.008 4.008 4.016 -0.008 18357 1288 1 12 . 1 1 37 37 LYS H H 37 7.336 7.336 8.194 -0.858 18357 1289 1 12 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.316 0.043 18357 1290 1 12 . 1 1 38 38 ALA H H 38 7.863 7.863 7.188 0.675 18357 1291 1 12 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.211 0.414 18357 1292 1 12 . 1 1 39 39 ALA H H 39 7.862 7.862 7.553 0.309 18357 1293 1 12 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.178 -0.148 18357 1294 1 12 . 1 1 40 40 GLU H H 40 8.105 8.105 8.401 -0.296 18357 1295 1 12 . 1 1 41 41 GLY H H 41 8.868 8.868 8.295 0.573 18357 1296 1 12 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.902 -0.075 18357 1297 1 12 . 1 1 42 42 CYS H H 42 8.402 8.402 8.537 -0.135 18357 1298 1 12 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.066 -0.058 18357 1299 1 12 . 1 1 43 43 ALA H H 43 9.090 9.090 8.493 0.597 18357 1300 1 12 . 1 1 44 44 SER HA H 44 4.320 4.320 4.154 0.166 18357 1301 1 12 . 1 1 44 44 SER H H 44 8.421 8.421 8.523 -0.102 18357 1302 1 12 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.340 -0.005 18357 1303 1 12 . 1 1 45 45 CYS H H 45 7.166 7.166 7.720 -0.554 18357 1304 1 12 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.141 0.469 18357 1305 1 12 . 1 1 46 46 PHE H H 46 8.084 8.084 7.700 0.384 18357 1306 1 12 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.710 0.503 18357 1307 1 12 . 1 1 47 47 CYS H H 47 8.944 8.944 8.259 0.685 18357 1308 1 12 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.072 -0.084 18357 1309 1 12 . 1 1 48 48 GLU H H 48 7.982 7.982 7.488 0.494 18357 1310 1 12 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.438 0.189 18357 1311 1 12 . 1 1 49 49 ASP H H 49 6.826 6.826 7.545 -0.719 18357 1312 1 12 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.908 -0.272 18357 1313 1 12 . 1 1 50 50 HIS H H 50 7.297 7.297 7.147 0.150 18357 1314 1 12 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.520 -0.011 18357 1315 1 12 . 1 1 51 51 CYS H H 51 8.394 8.394 9.057 -0.663 18357 1316 1 12 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.612 0.059 18357 1317 1 12 . 1 1 52 52 HIS H H 52 8.321 8.321 8.196 0.125 18357 1318 1 12 . 1 1 53 53 GLY H H 53 9.149 9.149 8.653 0.496 18357 1319 1 12 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.338 -0.285 18357 1320 1 12 . 1 1 54 54 VAL H H 54 8.993 8.993 8.249 0.744 18357 1321 1 12 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.176 0.061 18357 1322 1 12 . 1 1 55 55 CYS H H 55 7.249 7.249 8.066 -0.817 18357 1323 1 12 . 1 1 56 56 LYS HA H 56 4.108 4.108 3.988 0.120 18357 1324 1 12 . 1 1 56 56 LYS H H 56 6.535 6.535 8.170 -1.635 18357 1325 1 12 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.407 -0.254 18357 1326 1 12 . 1 1 57 57 ASP H H 57 8.435 8.435 7.877 0.558 18357 1327 1 12 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.091 0.148 18357 1328 1 12 . 1 1 58 58 LEU H H 58 7.690 7.690 8.123 -0.433 18357 1329 1 12 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.354 0.038 18357 1330 1 12 . 1 1 59 59 HIS H H 59 7.947 7.947 8.071 -0.124 18357 1331 1 12 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.670 -0.322 18357 1332 1 12 . 1 1 60 60 LEU H H 60 7.780 7.780 8.207 -0.427 18357 1333 1 13 . 1 1 2 2 MET HA H 2 4.779 4.779 4.149 0.630 18357 1334 1 13 . 1 1 2 2 MET H H 2 8.721 8.721 8.773 -0.052 18357 1335 1 13 . 1 1 3 3 GLY H H 3 8.466 8.466 7.805 0.661 18357 1336 1 13 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.138 0.181 18357 1337 1 13 . 1 1 4 4 LYS H H 4 8.312 8.312 8.130 0.182 18357 1338 1 13 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.439 0.143 18357 1339 1 13 . 1 1 5 5 CYS H H 5 8.745 8.745 7.752 0.993 18357 1340 1 13 . 1 1 6 6 SER HA H 6 4.505 4.505 4.526 -0.021 18357 1341 1 13 . 1 1 6 6 SER H H 6 8.457 8.457 7.981 0.476 18357 1342 1 13 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.833 -0.093 18357 1343 1 13 . 1 1 7 7 VAL H H 7 8.591 8.591 8.347 0.244 18357 1344 1 13 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.315 -0.175 18357 1345 1 13 . 1 1 8 8 LEU H H 8 7.751 7.751 7.943 -0.192 18357 1346 1 13 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.098 0.006 18357 1347 1 13 . 1 1 9 9 LYS H H 9 7.834 7.834 7.807 0.027 18357 1348 1 13 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.179 -0.499 18357 1349 1 13 . 1 1 10 10 LYS H H 10 8.602 8.602 7.875 0.727 18357 1350 1 13 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.912 -0.145 18357 1351 1 13 . 1 1 11 11 VAL H H 11 7.550 7.550 7.344 0.206 18357 1352 1 13 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.309 -0.042 18357 1353 1 13 . 1 1 12 12 ALA H H 12 7.911 7.911 7.587 0.324 18357 1354 1 13 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.273 0.348 18357 1355 1 13 . 1 1 13 13 CYS H H 13 8.379 8.379 8.130 0.249 18357 1356 1 13 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.159 -0.116 18357 1357 1 13 . 1 1 14 14 ALA H H 14 7.595 7.595 7.705 -0.110 18357 1358 1 13 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.112 0.123 18357 1359 1 13 . 1 1 15 15 ALA H H 15 8.756 8.756 8.033 0.723 18357 1360 1 13 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.250 -0.150 18357 1361 1 13 . 1 1 16 16 ALA H H 16 8.587 8.587 7.574 1.013 18357 1362 1 13 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.998 0.198 18357 1363 1 13 . 1 1 17 17 ILE H H 17 8.505 8.505 8.396 0.109 18357 1364 1 13 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.074 0.008 18357 1365 1 13 . 1 1 18 18 ALA H H 18 8.304 8.304 7.684 0.620 18357 1366 1 13 . 1 1 19 19 GLY H H 19 8.402 8.402 7.903 0.499 18357 1367 1 13 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.133 -0.042 18357 1368 1 13 . 1 1 20 20 ALA H H 20 7.985 7.985 7.728 0.257 18357 1369 1 13 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.847 -0.430 18357 1370 1 13 . 1 1 21 21 VAL H H 21 8.456 8.456 8.310 0.146 18357 1371 1 13 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.076 0.031 18357 1372 1 13 . 1 1 22 22 ALA H H 22 7.878 7.878 7.705 0.173 18357 1373 1 13 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.168 -0.048 18357 1374 1 13 . 1 1 23 23 ALA H H 23 8.032 8.032 7.586 0.446 18357 1375 1 13 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.925 -0.428 18357 1376 1 13 . 1 1 24 24 CYS H H 24 8.032 8.032 8.115 -0.083 18357 1377 1 13 . 1 1 25 25 GLY H H 25 7.977 7.977 8.690 -0.713 18357 1378 1 13 . 1 1 26 26 GLY H H 26 8.098 8.098 7.695 0.403 18357 1379 1 13 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.190 -0.343 18357 1380 1 13 . 1 1 27 27 ILE H H 27 8.317 8.317 8.357 -0.040 18357 1381 1 13 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.962 -0.114 18357 1382 1 13 . 1 1 28 28 ASP H H 28 7.216 7.216 8.450 -1.234 18357 1383 1 13 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.963 -0.929 18357 1384 1 13 . 1 1 29 29 LEU H H 29 8.845 8.845 7.811 1.034 18357 1385 1 13 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.401 -0.243 18357 1386 1 13 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.454 -0.282 18357 1387 1 13 . 1 1 31 31 CYS H H 31 7.310 7.310 7.822 -0.512 18357 1388 1 13 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.681 -0.473 18357 1389 1 13 . 1 1 32 32 VAL H H 32 8.591 8.591 8.442 0.149 18357 1390 1 13 . 1 1 33 33 LEU HA H 33 3.707 3.707 3.966 -0.259 18357 1391 1 13 . 1 1 33 33 LEU H H 33 8.447 8.447 7.659 0.788 18357 1392 1 13 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.079 0.022 18357 1393 1 13 . 1 1 34 34 ALA H H 34 7.540 7.540 7.588 -0.048 18357 1394 1 13 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.424 -0.226 18357 1395 1 13 . 1 1 35 35 ALA H H 35 7.796 7.796 7.402 0.394 18357 1396 1 13 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.131 0.139 18357 1397 1 13 . 1 1 36 36 LEU H H 36 7.850 7.850 8.780 -0.930 18357 1398 1 13 . 1 1 37 37 LYS HA H 37 4.008 4.008 4.034 -0.026 18357 1399 1 13 . 1 1 37 37 LYS H H 37 7.336 7.336 7.795 -0.459 18357 1400 1 13 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.196 0.163 18357 1401 1 13 . 1 1 38 38 ALA H H 38 7.863 7.863 7.230 0.633 18357 1402 1 13 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.226 0.399 18357 1403 1 13 . 1 1 39 39 ALA H H 39 7.862 7.862 7.550 0.312 18357 1404 1 13 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.079 -0.049 18357 1405 1 13 . 1 1 40 40 GLU H H 40 8.105 8.105 8.690 -0.585 18357 1406 1 13 . 1 1 41 41 GLY H H 41 8.868 8.868 8.056 0.812 18357 1407 1 13 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.948 -0.121 18357 1408 1 13 . 1 1 42 42 CYS H H 42 8.402 8.402 8.657 -0.255 18357 1409 1 13 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.090 -0.082 18357 1410 1 13 . 1 1 43 43 ALA H H 43 9.090 9.090 8.453 0.637 18357 1411 1 13 . 1 1 44 44 SER HA H 44 4.320 4.320 4.162 0.158 18357 1412 1 13 . 1 1 44 44 SER H H 44 8.421 8.421 8.273 0.148 18357 1413 1 13 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.751 -0.416 18357 1414 1 13 . 1 1 45 45 CYS H H 45 7.166 7.166 7.733 -0.567 18357 1415 1 13 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.312 0.298 18357 1416 1 13 . 1 1 46 46 PHE H H 46 8.084 8.084 7.477 0.607 18357 1417 1 13 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.281 0.932 18357 1418 1 13 . 1 1 47 47 CYS H H 47 8.944 8.944 8.243 0.701 18357 1419 1 13 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.125 -0.137 18357 1420 1 13 . 1 1 48 48 GLU H H 48 7.982 7.982 7.690 0.292 18357 1421 1 13 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.559 0.067 18357 1422 1 13 . 1 1 49 49 ASP H H 49 6.826 6.826 7.417 -0.591 18357 1423 1 13 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.444 0.192 18357 1424 1 13 . 1 1 50 50 HIS H H 50 7.297 7.297 7.323 -0.026 18357 1425 1 13 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.508 0.001 18357 1426 1 13 . 1 1 51 51 CYS H H 51 8.394 8.394 8.129 0.265 18357 1427 1 13 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.612 0.058 18357 1428 1 13 . 1 1 52 52 HIS H H 52 8.321 8.321 8.061 0.260 18357 1429 1 13 . 1 1 53 53 GLY H H 53 9.149 9.149 8.786 0.363 18357 1430 1 13 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.227 -0.174 18357 1431 1 13 . 1 1 54 54 VAL H H 54 8.993 8.993 8.254 0.739 18357 1432 1 13 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.262 -0.025 18357 1433 1 13 . 1 1 55 55 CYS H H 55 7.249 7.249 8.446 -1.197 18357 1434 1 13 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.146 -0.038 18357 1435 1 13 . 1 1 56 56 LYS H H 56 6.535 6.535 7.579 -1.044 18357 1436 1 13 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.612 -0.459 18357 1437 1 13 . 1 1 57 57 ASP H H 57 8.435 8.435 8.014 0.421 18357 1438 1 13 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.412 -0.173 18357 1439 1 13 . 1 1 58 58 LEU H H 58 7.690 7.690 8.033 -0.343 18357 1440 1 13 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.308 0.084 18357 1441 1 13 . 1 1 59 59 HIS H H 59 7.947 7.947 7.743 0.204 18357 1442 1 13 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.731 -0.383 18357 1443 1 13 . 1 1 60 60 LEU H H 60 7.780 7.780 8.121 -0.341 18357 1444 1 14 . 1 1 2 2 MET HA H 2 4.779 4.779 4.944 -0.165 18357 1445 1 14 . 1 1 2 2 MET H H 2 8.721 8.721 9.098 -0.377 18357 1446 1 14 . 1 1 3 3 GLY H H 3 8.466 8.466 7.607 0.859 18357 1447 1 14 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.314 0.005 18357 1448 1 14 . 1 1 4 4 LYS H H 4 8.312 8.312 8.023 0.289 18357 1449 1 14 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.833 -0.251 18357 1450 1 14 . 1 1 5 5 CYS H H 5 8.745 8.745 7.898 0.847 18357 1451 1 14 . 1 1 6 6 SER HA H 6 4.505 4.505 4.391 0.114 18357 1452 1 14 . 1 1 6 6 SER H H 6 8.457 8.457 8.337 0.120 18357 1453 1 14 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.814 -0.074 18357 1454 1 14 . 1 1 7 7 VAL H H 7 8.591 8.591 8.475 0.116 18357 1455 1 14 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.247 -0.107 18357 1456 1 14 . 1 1 8 8 LEU H H 8 7.751 7.751 7.860 -0.109 18357 1457 1 14 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.160 -0.056 18357 1458 1 14 . 1 1 9 9 LYS H H 9 7.834 7.834 7.688 0.146 18357 1459 1 14 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.176 -0.496 18357 1460 1 14 . 1 1 10 10 LYS H H 10 8.602 8.602 7.494 1.108 18357 1461 1 14 . 1 1 11 11 VAL HA H 11 3.767 3.767 4.100 -0.333 18357 1462 1 14 . 1 1 11 11 VAL H H 11 7.550 7.550 7.468 0.082 18357 1463 1 14 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.245 0.022 18357 1464 1 14 . 1 1 12 12 ALA H H 12 7.911 7.911 7.922 -0.011 18357 1465 1 14 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.256 0.365 18357 1466 1 14 . 1 1 13 13 CYS H H 13 8.379 8.379 8.617 -0.238 18357 1467 1 14 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.264 -0.221 18357 1468 1 14 . 1 1 14 14 ALA H H 14 7.595 7.595 7.798 -0.203 18357 1469 1 14 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.348 -0.113 18357 1470 1 14 . 1 1 15 15 ALA H H 15 8.756 8.756 7.828 0.928 18357 1471 1 14 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.519 -0.419 18357 1472 1 14 . 1 1 16 16 ALA H H 16 8.587 8.587 8.003 0.584 18357 1473 1 14 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.925 0.271 18357 1474 1 14 . 1 1 17 17 ILE H H 17 8.505 8.505 8.008 0.497 18357 1475 1 14 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.107 -0.025 18357 1476 1 14 . 1 1 18 18 ALA H H 18 8.304 8.304 8.328 -0.024 18357 1477 1 14 . 1 1 19 19 GLY H H 19 8.402 8.402 8.402 0.000 18357 1478 1 14 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.277 -0.186 18357 1479 1 14 . 1 1 20 20 ALA H H 20 7.985 7.985 7.367 0.618 18357 1480 1 14 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.772 -0.355 18357 1481 1 14 . 1 1 21 21 VAL H H 21 8.456 8.456 8.658 -0.202 18357 1482 1 14 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.054 0.053 18357 1483 1 14 . 1 1 22 22 ALA H H 22 7.878 7.878 7.709 0.169 18357 1484 1 14 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.107 0.013 18357 1485 1 14 . 1 1 23 23 ALA H H 23 8.032 8.032 7.791 0.241 18357 1486 1 14 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.484 0.013 18357 1487 1 14 . 1 1 24 24 CYS H H 24 8.032 8.032 7.633 0.399 18357 1488 1 14 . 1 1 25 25 GLY H H 25 7.977 7.977 8.505 -0.528 18357 1489 1 14 . 1 1 26 26 GLY H H 26 8.098 8.098 7.733 0.365 18357 1490 1 14 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.177 -0.330 18357 1491 1 14 . 1 1 27 27 ILE H H 27 8.317 8.317 8.323 -0.006 18357 1492 1 14 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.848 -0.000 18357 1493 1 14 . 1 1 28 28 ASP H H 28 7.216 7.216 8.176 -0.960 18357 1494 1 14 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.792 -0.758 18357 1495 1 14 . 1 1 29 29 LEU H H 29 8.845 8.845 7.862 0.983 18357 1496 1 14 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.381 -0.223 18357 1497 1 14 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.451 -0.279 18357 1498 1 14 . 1 1 31 31 CYS H H 31 7.310 7.310 7.786 -0.476 18357 1499 1 14 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.777 -0.569 18357 1500 1 14 . 1 1 32 32 VAL H H 32 8.591 8.591 8.578 0.013 18357 1501 1 14 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.039 -0.332 18357 1502 1 14 . 1 1 33 33 LEU H H 33 8.447 8.447 7.403 1.044 18357 1503 1 14 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.343 -0.242 18357 1504 1 14 . 1 1 34 34 ALA H H 34 7.540 7.540 7.402 0.138 18357 1505 1 14 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.448 -0.250 18357 1506 1 14 . 1 1 35 35 ALA H H 35 7.796 7.796 7.542 0.254 18357 1507 1 14 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.027 0.243 18357 1508 1 14 . 1 1 36 36 LEU H H 36 7.850 7.850 8.665 -0.815 18357 1509 1 14 . 1 1 37 37 LYS HA H 37 4.008 4.008 4.003 0.005 18357 1510 1 14 . 1 1 37 37 LYS H H 37 7.336 7.336 8.362 -1.026 18357 1511 1 14 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.409 -0.050 18357 1512 1 14 . 1 1 38 38 ALA H H 38 7.863 7.863 7.270 0.593 18357 1513 1 14 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.257 0.368 18357 1514 1 14 . 1 1 39 39 ALA H H 39 7.862 7.862 7.593 0.269 18357 1515 1 14 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.173 -0.143 18357 1516 1 14 . 1 1 40 40 GLU H H 40 8.105 8.105 8.731 -0.626 18357 1517 1 14 . 1 1 41 41 GLY H H 41 8.868 8.868 7.934 0.934 18357 1518 1 14 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.776 0.051 18357 1519 1 14 . 1 1 42 42 CYS H H 42 8.402 8.402 8.590 -0.188 18357 1520 1 14 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.012 -0.004 18357 1521 1 14 . 1 1 43 43 ALA H H 43 9.090 9.090 8.465 0.625 18357 1522 1 14 . 1 1 44 44 SER HA H 44 4.320 4.320 4.041 0.279 18357 1523 1 14 . 1 1 44 44 SER H H 44 8.421 8.421 8.376 0.045 18357 1524 1 14 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.179 0.156 18357 1525 1 14 . 1 1 45 45 CYS H H 45 7.166 7.166 7.609 -0.444 18357 1526 1 14 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.281 0.329 18357 1527 1 14 . 1 1 46 46 PHE H H 46 8.084 8.084 7.710 0.374 18357 1528 1 14 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.487 0.726 18357 1529 1 14 . 1 1 47 47 CYS H H 47 8.944 8.944 8.150 0.794 18357 1530 1 14 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.002 -0.014 18357 1531 1 14 . 1 1 48 48 GLU H H 48 7.982 7.982 8.088 -0.106 18357 1532 1 14 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.493 0.134 18357 1533 1 14 . 1 1 49 49 ASP H H 49 6.826 6.826 7.511 -0.685 18357 1534 1 14 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.834 -0.198 18357 1535 1 14 . 1 1 50 50 HIS H H 50 7.297 7.297 7.275 0.022 18357 1536 1 14 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.759 -0.250 18357 1537 1 14 . 1 1 51 51 CYS H H 51 8.394 8.394 8.781 -0.387 18357 1538 1 14 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.730 -0.059 18357 1539 1 14 . 1 1 52 52 HIS H H 52 8.321 8.321 8.408 -0.087 18357 1540 1 14 . 1 1 53 53 GLY H H 53 9.149 9.149 8.620 0.529 18357 1541 1 14 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.333 -0.280 18357 1542 1 14 . 1 1 54 54 VAL H H 54 8.993 8.993 8.248 0.745 18357 1543 1 14 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.261 -0.024 18357 1544 1 14 . 1 1 55 55 CYS H H 55 7.249 7.249 8.206 -0.957 18357 1545 1 14 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.152 -0.044 18357 1546 1 14 . 1 1 56 56 LYS H H 56 6.535 6.535 8.002 -1.467 18357 1547 1 14 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.600 -0.447 18357 1548 1 14 . 1 1 57 57 ASP H H 57 8.435 8.435 7.285 1.150 18357 1549 1 14 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.064 0.175 18357 1550 1 14 . 1 1 58 58 LEU H H 58 7.690 7.690 8.257 -0.567 18357 1551 1 14 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.262 0.130 18357 1552 1 14 . 1 1 59 59 HIS H H 59 7.947 7.947 7.920 0.027 18357 1553 1 14 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.774 -0.426 18357 1554 1 14 . 1 1 60 60 LEU H H 60 7.780 7.780 8.057 -0.277 18357 1555 1 15 . 1 1 2 2 MET HA H 2 4.779 4.779 4.544 0.235 18357 1556 1 15 . 1 1 2 2 MET H H 2 8.721 8.721 8.457 0.264 18357 1557 1 15 . 1 1 3 3 GLY H H 3 8.466 8.466 7.963 0.503 18357 1558 1 15 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.407 -0.088 18357 1559 1 15 . 1 1 4 4 LYS H H 4 8.312 8.312 8.418 -0.106 18357 1560 1 15 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.769 -0.187 18357 1561 1 15 . 1 1 5 5 CYS H H 5 8.745 8.745 7.524 1.221 18357 1562 1 15 . 1 1 6 6 SER HA H 6 4.505 4.505 4.372 0.133 18357 1563 1 15 . 1 1 6 6 SER H H 6 8.457 8.457 7.806 0.651 18357 1564 1 15 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.752 -0.012 18357 1565 1 15 . 1 1 7 7 VAL H H 7 8.591 8.591 8.479 0.112 18357 1566 1 15 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.234 -0.094 18357 1567 1 15 . 1 1 8 8 LEU H H 8 7.751 7.751 7.833 -0.082 18357 1568 1 15 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.079 0.025 18357 1569 1 15 . 1 1 9 9 LYS H H 9 7.834 7.834 7.663 0.171 18357 1570 1 15 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.148 -0.468 18357 1571 1 15 . 1 1 10 10 LYS H H 10 8.602 8.602 7.857 0.745 18357 1572 1 15 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.897 -0.130 18357 1573 1 15 . 1 1 11 11 VAL H H 11 7.550 7.550 7.480 0.070 18357 1574 1 15 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.513 -0.246 18357 1575 1 15 . 1 1 12 12 ALA H H 12 7.911 7.911 7.616 0.295 18357 1576 1 15 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.192 0.429 18357 1577 1 15 . 1 1 13 13 CYS H H 13 8.379 8.379 7.984 0.395 18357 1578 1 15 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.096 -0.053 18357 1579 1 15 . 1 1 14 14 ALA H H 14 7.595 7.595 8.388 -0.793 18357 1580 1 15 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.229 0.006 18357 1581 1 15 . 1 1 15 15 ALA H H 15 8.756 8.756 7.959 0.797 18357 1582 1 15 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.145 -0.045 18357 1583 1 15 . 1 1 16 16 ALA H H 16 8.587 8.587 7.708 0.879 18357 1584 1 15 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.756 0.440 18357 1585 1 15 . 1 1 17 17 ILE H H 17 8.505 8.505 8.620 -0.115 18357 1586 1 15 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.040 0.042 18357 1587 1 15 . 1 1 18 18 ALA H H 18 8.304 8.304 7.836 0.468 18357 1588 1 15 . 1 1 19 19 GLY H H 19 8.402 8.402 7.822 0.580 18357 1589 1 15 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.214 -0.123 18357 1590 1 15 . 1 1 20 20 ALA H H 20 7.985 7.985 7.558 0.427 18357 1591 1 15 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.801 -0.384 18357 1592 1 15 . 1 1 21 21 VAL H H 21 8.456 8.456 8.596 -0.140 18357 1593 1 15 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.063 0.044 18357 1594 1 15 . 1 1 22 22 ALA H H 22 7.878 7.878 8.188 -0.310 18357 1595 1 15 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.161 -0.041 18357 1596 1 15 . 1 1 23 23 ALA H H 23 8.032 8.032 7.569 0.463 18357 1597 1 15 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.486 0.011 18357 1598 1 15 . 1 1 24 24 CYS H H 24 8.032 8.032 7.697 0.335 18357 1599 1 15 . 1 1 25 25 GLY H H 25 7.977 7.977 8.629 -0.652 18357 1600 1 15 . 1 1 26 26 GLY H H 26 8.098 8.098 7.633 0.465 18357 1601 1 15 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.129 -0.282 18357 1602 1 15 . 1 1 27 27 ILE H H 27 8.317 8.317 8.282 0.035 18357 1603 1 15 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.937 -0.089 18357 1604 1 15 . 1 1 28 28 ASP H H 28 7.216 7.216 8.308 -1.092 18357 1605 1 15 . 1 1 29 29 LEU HA H 29 4.034 4.034 5.017 -0.983 18357 1606 1 15 . 1 1 29 29 LEU H H 29 8.845 8.845 7.951 0.894 18357 1607 1 15 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.463 -0.305 18357 1608 1 15 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.481 -0.309 18357 1609 1 15 . 1 1 31 31 CYS H H 31 7.310 7.310 8.250 -0.940 18357 1610 1 15 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.718 -0.510 18357 1611 1 15 . 1 1 32 32 VAL H H 32 8.591 8.591 8.553 0.038 18357 1612 1 15 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.064 -0.357 18357 1613 1 15 . 1 1 33 33 LEU H H 33 8.447 8.447 7.337 1.110 18357 1614 1 15 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.454 -0.353 18357 1615 1 15 . 1 1 34 34 ALA H H 34 7.540 7.540 7.430 0.110 18357 1616 1 15 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.458 -0.260 18357 1617 1 15 . 1 1 35 35 ALA H H 35 7.796 7.796 7.578 0.218 18357 1618 1 15 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.059 0.211 18357 1619 1 15 . 1 1 36 36 LEU H H 36 7.850 7.850 8.669 -0.819 18357 1620 1 15 . 1 1 37 37 LYS HA H 37 4.008 4.008 4.029 -0.021 18357 1621 1 15 . 1 1 37 37 LYS H H 37 7.336 7.336 8.251 -0.915 18357 1622 1 15 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.440 -0.081 18357 1623 1 15 . 1 1 38 38 ALA H H 38 7.863 7.863 7.266 0.597 18357 1624 1 15 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.291 0.334 18357 1625 1 15 . 1 1 39 39 ALA H H 39 7.862 7.862 7.475 0.387 18357 1626 1 15 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.215 -0.185 18357 1627 1 15 . 1 1 40 40 GLU H H 40 8.105 8.105 8.674 -0.569 18357 1628 1 15 . 1 1 41 41 GLY H H 41 8.868 8.868 7.905 0.963 18357 1629 1 15 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.922 -0.095 18357 1630 1 15 . 1 1 42 42 CYS H H 42 8.402 8.402 8.536 -0.134 18357 1631 1 15 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.054 -0.046 18357 1632 1 15 . 1 1 43 43 ALA H H 43 9.090 9.090 8.568 0.522 18357 1633 1 15 . 1 1 44 44 SER HA H 44 4.320 4.320 4.111 0.209 18357 1634 1 15 . 1 1 44 44 SER H H 44 8.421 8.421 8.440 -0.019 18357 1635 1 15 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.314 0.021 18357 1636 1 15 . 1 1 45 45 CYS H H 45 7.166 7.166 7.597 -0.431 18357 1637 1 15 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.136 0.474 18357 1638 1 15 . 1 1 46 46 PHE H H 46 8.084 8.084 7.599 0.485 18357 1639 1 15 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.345 0.868 18357 1640 1 15 . 1 1 47 47 CYS H H 47 8.944 8.944 7.968 0.976 18357 1641 1 15 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.135 -0.147 18357 1642 1 15 . 1 1 48 48 GLU H H 48 7.982 7.982 7.660 0.322 18357 1643 1 15 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.488 0.139 18357 1644 1 15 . 1 1 49 49 ASP H H 49 6.826 6.826 8.681 -1.855 18357 1645 1 15 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.318 0.318 18357 1646 1 15 . 1 1 50 50 HIS H H 50 7.297 7.297 8.461 -1.164 18357 1647 1 15 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.488 0.021 18357 1648 1 15 . 1 1 51 51 CYS H H 51 8.394 8.394 7.980 0.414 18357 1649 1 15 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.579 0.092 18357 1650 1 15 . 1 1 52 52 HIS H H 52 8.321 8.321 7.976 0.345 18357 1651 1 15 . 1 1 53 53 GLY H H 53 9.149 9.149 8.628 0.521 18357 1652 1 15 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.325 -0.272 18357 1653 1 15 . 1 1 54 54 VAL H H 54 8.993 8.993 8.460 0.533 18357 1654 1 15 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.122 0.115 18357 1655 1 15 . 1 1 55 55 CYS H H 55 7.249 7.249 8.170 -0.921 18357 1656 1 15 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.062 0.046 18357 1657 1 15 . 1 1 56 56 LYS H H 56 6.535 6.535 7.974 -1.439 18357 1658 1 15 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.585 -0.432 18357 1659 1 15 . 1 1 57 57 ASP H H 57 8.435 8.435 7.999 0.436 18357 1660 1 15 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.269 -0.030 18357 1661 1 15 . 1 1 58 58 LEU H H 58 7.690 7.690 7.709 -0.019 18357 1662 1 15 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.303 0.089 18357 1663 1 15 . 1 1 59 59 HIS H H 59 7.947 7.947 7.792 0.155 18357 1664 1 15 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.751 -0.403 18357 1665 1 15 . 1 1 60 60 LEU H H 60 7.780 7.780 7.755 0.025 18357 1666 1 16 . 1 1 2 2 MET HA H 2 4.779 4.779 5.009 -0.230 18357 1667 1 16 . 1 1 2 2 MET H H 2 8.721 8.721 8.334 0.387 18357 1668 1 16 . 1 1 3 3 GLY H H 3 8.466 8.466 8.277 0.189 18357 1669 1 16 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.165 0.154 18357 1670 1 16 . 1 1 4 4 LYS H H 4 8.312 8.312 8.520 -0.208 18357 1671 1 16 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.806 -0.224 18357 1672 1 16 . 1 1 5 5 CYS H H 5 8.745 8.745 8.260 0.485 18357 1673 1 16 . 1 1 6 6 SER HA H 6 4.505 4.505 4.625 -0.120 18357 1674 1 16 . 1 1 6 6 SER H H 6 8.457 8.457 7.677 0.780 18357 1675 1 16 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.687 0.053 18357 1676 1 16 . 1 1 7 7 VAL H H 7 8.591 8.591 8.939 -0.348 18357 1677 1 16 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.218 -0.078 18357 1678 1 16 . 1 1 8 8 LEU H H 8 7.751 7.751 8.019 -0.268 18357 1679 1 16 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.147 -0.043 18357 1680 1 16 . 1 1 9 9 LYS H H 9 7.834 7.834 7.636 0.198 18357 1681 1 16 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.121 -0.441 18357 1682 1 16 . 1 1 10 10 LYS H H 10 8.602 8.602 8.166 0.436 18357 1683 1 16 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.855 -0.088 18357 1684 1 16 . 1 1 11 11 VAL H H 11 7.550 7.550 7.466 0.084 18357 1685 1 16 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.514 -0.247 18357 1686 1 16 . 1 1 12 12 ALA H H 12 7.911 7.911 7.718 0.193 18357 1687 1 16 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.155 0.466 18357 1688 1 16 . 1 1 13 13 CYS H H 13 8.379 8.379 8.090 0.289 18357 1689 1 16 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.124 -0.081 18357 1690 1 16 . 1 1 14 14 ALA H H 14 7.595 7.595 8.389 -0.794 18357 1691 1 16 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.348 -0.113 18357 1692 1 16 . 1 1 15 15 ALA H H 15 8.756 8.756 7.321 1.435 18357 1693 1 16 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.124 -0.024 18357 1694 1 16 . 1 1 16 16 ALA H H 16 8.587 8.587 8.112 0.475 18357 1695 1 16 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.808 0.388 18357 1696 1 16 . 1 1 17 17 ILE H H 17 8.505 8.505 8.420 0.085 18357 1697 1 16 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.013 0.069 18357 1698 1 16 . 1 1 18 18 ALA H H 18 8.304 8.304 7.593 0.711 18357 1699 1 16 . 1 1 19 19 GLY H H 19 8.402 8.402 7.872 0.530 18357 1700 1 16 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.126 -0.035 18357 1701 1 16 . 1 1 20 20 ALA H H 20 7.985 7.985 7.630 0.355 18357 1702 1 16 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.813 -0.396 18357 1703 1 16 . 1 1 21 21 VAL H H 21 8.456 8.456 8.067 0.389 18357 1704 1 16 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.060 0.047 18357 1705 1 16 . 1 1 22 22 ALA H H 22 7.878 7.878 8.288 -0.410 18357 1706 1 16 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.226 -0.106 18357 1707 1 16 . 1 1 23 23 ALA H H 23 8.032 8.032 7.851 0.181 18357 1708 1 16 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.474 0.023 18357 1709 1 16 . 1 1 24 24 CYS H H 24 8.032 8.032 7.639 0.393 18357 1710 1 16 . 1 1 25 25 GLY H H 25 7.977 7.977 8.644 -0.667 18357 1711 1 16 . 1 1 26 26 GLY H H 26 8.098 8.098 7.767 0.331 18357 1712 1 16 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.183 -0.336 18357 1713 1 16 . 1 1 27 27 ILE H H 27 8.317 8.317 8.335 -0.018 18357 1714 1 16 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.854 -0.006 18357 1715 1 16 . 1 1 28 28 ASP H H 28 7.216 7.216 8.567 -1.351 18357 1716 1 16 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.984 -0.950 18357 1717 1 16 . 1 1 29 29 LEU H H 29 8.845 8.845 7.929 0.916 18357 1718 1 16 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.434 -0.276 18357 1719 1 16 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.542 -0.370 18357 1720 1 16 . 1 1 31 31 CYS H H 31 7.310 7.310 8.195 -0.885 18357 1721 1 16 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.798 -0.590 18357 1722 1 16 . 1 1 32 32 VAL H H 32 8.591 8.591 8.682 -0.091 18357 1723 1 16 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.100 -0.393 18357 1724 1 16 . 1 1 33 33 LEU H H 33 8.447 8.447 7.615 0.832 18357 1725 1 16 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.384 -0.283 18357 1726 1 16 . 1 1 34 34 ALA H H 34 7.540 7.540 7.484 0.056 18357 1727 1 16 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.396 -0.198 18357 1728 1 16 . 1 1 35 35 ALA H H 35 7.796 7.796 7.670 0.126 18357 1729 1 16 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.134 0.136 18357 1730 1 16 . 1 1 36 36 LEU H H 36 7.850 7.850 8.619 -0.769 18357 1731 1 16 . 1 1 37 37 LYS HA H 37 4.008 4.008 3.925 0.083 18357 1732 1 16 . 1 1 37 37 LYS H H 37 7.336 7.336 8.380 -1.044 18357 1733 1 16 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.311 0.048 18357 1734 1 16 . 1 1 38 38 ALA H H 38 7.863 7.863 7.392 0.471 18357 1735 1 16 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.386 0.239 18357 1736 1 16 . 1 1 39 39 ALA H H 39 7.862 7.862 8.013 -0.151 18357 1737 1 16 . 1 1 40 40 GLU HA H 40 4.030 4.030 3.829 0.201 18357 1738 1 16 . 1 1 40 40 GLU H H 40 8.105 8.105 7.886 0.219 18357 1739 1 16 . 1 1 41 41 GLY H H 41 8.868 8.868 8.019 0.849 18357 1740 1 16 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.911 -0.084 18357 1741 1 16 . 1 1 42 42 CYS H H 42 8.402 8.402 7.779 0.623 18357 1742 1 16 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.110 -0.102 18357 1743 1 16 . 1 1 43 43 ALA H H 43 9.090 9.090 8.416 0.674 18357 1744 1 16 . 1 1 44 44 SER HA H 44 4.320 4.320 4.152 0.168 18357 1745 1 16 . 1 1 44 44 SER H H 44 8.421 8.421 8.179 0.242 18357 1746 1 16 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.576 -0.241 18357 1747 1 16 . 1 1 45 45 CYS H H 45 7.166 7.166 7.519 -0.353 18357 1748 1 16 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.211 0.399 18357 1749 1 16 . 1 1 46 46 PHE H H 46 8.084 8.084 7.624 0.460 18357 1750 1 16 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.438 0.775 18357 1751 1 16 . 1 1 47 47 CYS H H 47 8.944 8.944 8.287 0.657 18357 1752 1 16 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.119 -0.131 18357 1753 1 16 . 1 1 48 48 GLU H H 48 7.982 7.982 7.528 0.454 18357 1754 1 16 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.525 0.102 18357 1755 1 16 . 1 1 49 49 ASP H H 49 6.826 6.826 8.719 -1.893 18357 1756 1 16 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.719 -0.083 18357 1757 1 16 . 1 1 50 50 HIS H H 50 7.297 7.297 8.201 -0.904 18357 1758 1 16 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.733 -0.224 18357 1759 1 16 . 1 1 51 51 CYS H H 51 8.394 8.394 8.477 -0.083 18357 1760 1 16 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.582 0.089 18357 1761 1 16 . 1 1 52 52 HIS H H 52 8.321 8.321 8.508 -0.187 18357 1762 1 16 . 1 1 53 53 GLY H H 53 9.149 9.149 8.498 0.651 18357 1763 1 16 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.411 -0.358 18357 1764 1 16 . 1 1 54 54 VAL H H 54 8.993 8.993 8.106 0.887 18357 1765 1 16 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.085 0.152 18357 1766 1 16 . 1 1 55 55 CYS H H 55 7.249 7.249 7.933 -0.684 18357 1767 1 16 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.137 -0.029 18357 1768 1 16 . 1 1 56 56 LYS H H 56 6.535 6.535 8.214 -1.679 18357 1769 1 16 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.231 -0.078 18357 1770 1 16 . 1 1 57 57 ASP H H 57 8.435 8.435 7.140 1.295 18357 1771 1 16 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.012 0.227 18357 1772 1 16 . 1 1 58 58 LEU H H 58 7.690 7.690 7.782 -0.092 18357 1773 1 16 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.409 -0.017 18357 1774 1 16 . 1 1 59 59 HIS H H 59 7.947 7.947 7.817 0.130 18357 1775 1 16 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.779 -0.431 18357 1776 1 16 . 1 1 60 60 LEU H H 60 7.780 7.780 7.923 -0.143 18357 1777 1 17 . 1 1 2 2 MET HA H 2 4.779 4.779 4.551 0.228 18357 1778 1 17 . 1 1 2 2 MET H H 2 8.721 8.721 8.643 0.078 18357 1779 1 17 . 1 1 3 3 GLY H H 3 8.466 8.466 7.535 0.931 18357 1780 1 17 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.280 0.039 18357 1781 1 17 . 1 1 4 4 LYS H H 4 8.312 8.312 8.601 -0.289 18357 1782 1 17 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.746 -0.164 18357 1783 1 17 . 1 1 5 5 CYS H H 5 8.745 8.745 7.947 0.798 18357 1784 1 17 . 1 1 6 6 SER HA H 6 4.505 4.505 4.820 -0.315 18357 1785 1 17 . 1 1 6 6 SER H H 6 8.457 8.457 8.063 0.394 18357 1786 1 17 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.676 0.064 18357 1787 1 17 . 1 1 7 7 VAL H H 7 8.591 8.591 8.691 -0.100 18357 1788 1 17 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.514 -0.374 18357 1789 1 17 . 1 1 8 8 LEU H H 8 7.751 7.751 7.937 -0.186 18357 1790 1 17 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.252 -0.148 18357 1791 1 17 . 1 1 9 9 LYS H H 9 7.834 7.834 8.627 -0.793 18357 1792 1 17 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.275 -0.595 18357 1793 1 17 . 1 1 10 10 LYS H H 10 8.602 8.602 7.782 0.820 18357 1794 1 17 . 1 1 11 11 VAL HA H 11 3.767 3.767 4.062 -0.295 18357 1795 1 17 . 1 1 11 11 VAL H H 11 7.550 7.550 7.226 0.324 18357 1796 1 17 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.455 -0.188 18357 1797 1 17 . 1 1 12 12 ALA H H 12 7.911 7.911 7.231 0.680 18357 1798 1 17 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.369 0.252 18357 1799 1 17 . 1 1 13 13 CYS H H 13 8.379 8.379 8.002 0.377 18357 1800 1 17 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.133 -0.090 18357 1801 1 17 . 1 1 14 14 ALA H H 14 7.595 7.595 8.174 -0.579 18357 1802 1 17 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.168 0.067 18357 1803 1 17 . 1 1 15 15 ALA H H 15 8.756 8.756 7.441 1.315 18357 1804 1 17 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.263 -0.163 18357 1805 1 17 . 1 1 16 16 ALA H H 16 8.587 8.587 7.532 1.055 18357 1806 1 17 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.965 0.231 18357 1807 1 17 . 1 1 17 17 ILE H H 17 8.505 8.505 8.645 -0.140 18357 1808 1 17 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.050 0.032 18357 1809 1 17 . 1 1 18 18 ALA H H 18 8.304 8.304 7.540 0.764 18357 1810 1 17 . 1 1 19 19 GLY H H 19 8.402 8.402 8.191 0.211 18357 1811 1 17 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.103 -0.012 18357 1812 1 17 . 1 1 20 20 ALA H H 20 7.985 7.985 7.947 0.038 18357 1813 1 17 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.767 -0.350 18357 1814 1 17 . 1 1 21 21 VAL H H 21 8.456 8.456 8.041 0.415 18357 1815 1 17 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.055 0.052 18357 1816 1 17 . 1 1 22 22 ALA H H 22 7.878 7.878 7.948 -0.070 18357 1817 1 17 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.203 -0.083 18357 1818 1 17 . 1 1 23 23 ALA H H 23 8.032 8.032 7.550 0.482 18357 1819 1 17 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.480 0.017 18357 1820 1 17 . 1 1 24 24 CYS H H 24 8.032 8.032 7.613 0.419 18357 1821 1 17 . 1 1 25 25 GLY H H 25 7.977 7.977 8.643 -0.666 18357 1822 1 17 . 1 1 26 26 GLY H H 26 8.098 8.098 7.684 0.414 18357 1823 1 17 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.037 -0.190 18357 1824 1 17 . 1 1 27 27 ILE H H 27 8.317 8.317 8.340 -0.023 18357 1825 1 17 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.816 0.032 18357 1826 1 17 . 1 1 28 28 ASP H H 28 7.216 7.216 8.368 -1.152 18357 1827 1 17 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.821 -0.787 18357 1828 1 17 . 1 1 29 29 LEU H H 29 8.845 8.845 7.690 1.155 18357 1829 1 17 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.399 -0.241 18357 1830 1 17 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.497 -0.325 18357 1831 1 17 . 1 1 31 31 CYS H H 31 7.310 7.310 7.966 -0.656 18357 1832 1 17 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.739 -0.531 18357 1833 1 17 . 1 1 32 32 VAL H H 32 8.591 8.591 8.682 -0.091 18357 1834 1 17 . 1 1 33 33 LEU HA H 33 3.707 3.707 3.920 -0.213 18357 1835 1 17 . 1 1 33 33 LEU H H 33 8.447 8.447 7.523 0.924 18357 1836 1 17 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.134 -0.033 18357 1837 1 17 . 1 1 34 34 ALA H H 34 7.540 7.540 7.559 -0.019 18357 1838 1 17 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.382 -0.184 18357 1839 1 17 . 1 1 35 35 ALA H H 35 7.796 7.796 7.461 0.335 18357 1840 1 17 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.092 0.178 18357 1841 1 17 . 1 1 36 36 LEU H H 36 7.850 7.850 8.739 -0.889 18357 1842 1 17 . 1 1 37 37 LYS HA H 37 4.008 4.008 4.070 -0.062 18357 1843 1 17 . 1 1 37 37 LYS H H 37 7.336 7.336 7.627 -0.291 18357 1844 1 17 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.404 -0.045 18357 1845 1 17 . 1 1 38 38 ALA H H 38 7.863 7.863 7.309 0.554 18357 1846 1 17 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.273 0.352 18357 1847 1 17 . 1 1 39 39 ALA H H 39 7.862 7.862 7.406 0.456 18357 1848 1 17 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.123 -0.093 18357 1849 1 17 . 1 1 40 40 GLU H H 40 8.105 8.105 8.398 -0.293 18357 1850 1 17 . 1 1 41 41 GLY H H 41 8.868 8.868 8.192 0.676 18357 1851 1 17 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.874 -0.047 18357 1852 1 17 . 1 1 42 42 CYS H H 42 8.402 8.402 8.669 -0.267 18357 1853 1 17 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.067 -0.059 18357 1854 1 17 . 1 1 43 43 ALA H H 43 9.090 9.090 8.526 0.564 18357 1855 1 17 . 1 1 44 44 SER HA H 44 4.320 4.320 4.211 0.109 18357 1856 1 17 . 1 1 44 44 SER H H 44 8.421 8.421 8.355 0.066 18357 1857 1 17 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.800 -0.465 18357 1858 1 17 . 1 1 45 45 CYS H H 45 7.166 7.166 7.703 -0.537 18357 1859 1 17 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.144 0.466 18357 1860 1 17 . 1 1 46 46 PHE H H 46 8.084 8.084 7.972 0.112 18357 1861 1 17 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.644 0.569 18357 1862 1 17 . 1 1 47 47 CYS H H 47 8.944 8.944 8.126 0.818 18357 1863 1 17 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.087 -0.099 18357 1864 1 17 . 1 1 48 48 GLU H H 48 7.982 7.982 7.435 0.547 18357 1865 1 17 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.446 0.181 18357 1866 1 17 . 1 1 49 49 ASP H H 49 6.826 6.826 7.371 -0.545 18357 1867 1 17 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.731 -0.095 18357 1868 1 17 . 1 1 50 50 HIS H H 50 7.297 7.297 7.274 0.023 18357 1869 1 17 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.810 -0.301 18357 1870 1 17 . 1 1 51 51 CYS H H 51 8.394 8.394 8.637 -0.243 18357 1871 1 17 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.616 0.055 18357 1872 1 17 . 1 1 52 52 HIS H H 52 8.321 8.321 8.644 -0.323 18357 1873 1 17 . 1 1 53 53 GLY H H 53 9.149 9.149 8.588 0.561 18357 1874 1 17 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.228 -0.175 18357 1875 1 17 . 1 1 54 54 VAL H H 54 8.993 8.993 7.951 1.042 18357 1876 1 17 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.038 0.199 18357 1877 1 17 . 1 1 55 55 CYS H H 55 7.249 7.249 8.356 -1.107 18357 1878 1 17 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.105 0.003 18357 1879 1 17 . 1 1 56 56 LYS H H 56 6.535 6.535 7.752 -1.217 18357 1880 1 17 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.294 -0.141 18357 1881 1 17 . 1 1 57 57 ASP H H 57 8.435 8.435 7.808 0.627 18357 1882 1 17 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.031 0.208 18357 1883 1 17 . 1 1 58 58 LEU H H 58 7.690 7.690 8.126 -0.436 18357 1884 1 17 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.442 -0.050 18357 1885 1 17 . 1 1 59 59 HIS H H 59 7.947 7.947 7.958 -0.011 18357 1886 1 17 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.787 -0.439 18357 1887 1 17 . 1 1 60 60 LEU H H 60 7.780 7.780 8.206 -0.426 18357 1888 1 18 . 1 1 2 2 MET HA H 2 4.779 4.779 4.096 0.683 18357 1889 1 18 . 1 1 2 2 MET H H 2 8.721 8.721 8.832 -0.111 18357 1890 1 18 . 1 1 3 3 GLY H H 3 8.466 8.466 7.890 0.576 18357 1891 1 18 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.428 -0.109 18357 1892 1 18 . 1 1 4 4 LYS H H 4 8.312 8.312 8.538 -0.226 18357 1893 1 18 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.791 -0.209 18357 1894 1 18 . 1 1 5 5 CYS H H 5 8.745 8.745 7.770 0.975 18357 1895 1 18 . 1 1 6 6 SER HA H 6 4.505 4.505 4.665 -0.160 18357 1896 1 18 . 1 1 6 6 SER H H 6 8.457 8.457 8.178 0.279 18357 1897 1 18 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.842 -0.102 18357 1898 1 18 . 1 1 7 7 VAL H H 7 8.591 8.591 8.540 0.051 18357 1899 1 18 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.243 -0.103 18357 1900 1 18 . 1 1 8 8 LEU H H 8 7.751 7.751 7.964 -0.213 18357 1901 1 18 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.205 -0.101 18357 1902 1 18 . 1 1 9 9 LYS H H 9 7.834 7.834 8.388 -0.554 18357 1903 1 18 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.181 -0.501 18357 1904 1 18 . 1 1 10 10 LYS H H 10 8.602 8.602 7.529 1.073 18357 1905 1 18 . 1 1 11 11 VAL HA H 11 3.767 3.767 4.038 -0.271 18357 1906 1 18 . 1 1 11 11 VAL H H 11 7.550 7.550 7.437 0.113 18357 1907 1 18 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.354 -0.087 18357 1908 1 18 . 1 1 12 12 ALA H H 12 7.911 7.911 7.776 0.135 18357 1909 1 18 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.256 0.365 18357 1910 1 18 . 1 1 13 13 CYS H H 13 8.379 8.379 8.013 0.366 18357 1911 1 18 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.327 -0.284 18357 1912 1 18 . 1 1 14 14 ALA H H 14 7.595 7.595 7.773 -0.178 18357 1913 1 18 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.304 -0.069 18357 1914 1 18 . 1 1 15 15 ALA H H 15 8.756 8.756 7.394 1.362 18357 1915 1 18 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.420 -0.320 18357 1916 1 18 . 1 1 16 16 ALA H H 16 8.587 8.587 7.469 1.118 18357 1917 1 18 . 1 1 17 17 ILE HA H 17 4.196 4.196 4.000 0.196 18357 1918 1 18 . 1 1 17 17 ILE H H 17 8.505 8.505 8.291 0.214 18357 1919 1 18 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.115 -0.033 18357 1920 1 18 . 1 1 18 18 ALA H H 18 8.304 8.304 7.761 0.543 18357 1921 1 18 . 1 1 19 19 GLY H H 19 8.402 8.402 8.104 0.298 18357 1922 1 18 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.269 -0.178 18357 1923 1 18 . 1 1 20 20 ALA H H 20 7.985 7.985 7.650 0.335 18357 1924 1 18 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.712 -0.295 18357 1925 1 18 . 1 1 21 21 VAL H H 21 8.456 8.456 8.637 -0.181 18357 1926 1 18 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.039 0.068 18357 1927 1 18 . 1 1 22 22 ALA H H 22 7.878 7.878 7.761 0.117 18357 1928 1 18 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.090 0.030 18357 1929 1 18 . 1 1 23 23 ALA H H 23 8.032 8.032 7.806 0.226 18357 1930 1 18 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.457 0.040 18357 1931 1 18 . 1 1 24 24 CYS H H 24 8.032 8.032 7.573 0.459 18357 1932 1 18 . 1 1 25 25 GLY H H 25 7.977 7.977 8.556 -0.579 18357 1933 1 18 . 1 1 26 26 GLY H H 26 8.098 8.098 7.852 0.246 18357 1934 1 18 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.123 -0.276 18357 1935 1 18 . 1 1 27 27 ILE H H 27 8.317 8.317 8.287 0.030 18357 1936 1 18 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.863 -0.015 18357 1937 1 18 . 1 1 28 28 ASP H H 28 7.216 7.216 8.338 -1.122 18357 1938 1 18 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.785 -0.751 18357 1939 1 18 . 1 1 29 29 LEU H H 29 8.845 8.845 7.761 1.084 18357 1940 1 18 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.364 -0.206 18357 1941 1 18 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.349 -0.177 18357 1942 1 18 . 1 1 31 31 CYS H H 31 7.310 7.310 7.883 -0.573 18357 1943 1 18 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.728 -0.520 18357 1944 1 18 . 1 1 32 32 VAL H H 32 8.591 8.591 8.538 0.053 18357 1945 1 18 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.111 -0.404 18357 1946 1 18 . 1 1 33 33 LEU H H 33 8.447 8.447 7.530 0.917 18357 1947 1 18 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.344 -0.243 18357 1948 1 18 . 1 1 34 34 ALA H H 34 7.540 7.540 7.622 -0.082 18357 1949 1 18 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.483 -0.285 18357 1950 1 18 . 1 1 35 35 ALA H H 35 7.796 7.796 7.477 0.319 18357 1951 1 18 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.063 0.207 18357 1952 1 18 . 1 1 36 36 LEU H H 36 7.850 7.850 8.667 -0.817 18357 1953 1 18 . 1 1 37 37 LYS HA H 37 4.008 4.008 4.027 -0.019 18357 1954 1 18 . 1 1 37 37 LYS H H 37 7.336 7.336 7.785 -0.449 18357 1955 1 18 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.389 -0.030 18357 1956 1 18 . 1 1 38 38 ALA H H 38 7.863 7.863 7.267 0.596 18357 1957 1 18 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.225 0.400 18357 1958 1 18 . 1 1 39 39 ALA H H 39 7.862 7.862 7.448 0.414 18357 1959 1 18 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.208 -0.178 18357 1960 1 18 . 1 1 40 40 GLU H H 40 8.105 8.105 8.573 -0.468 18357 1961 1 18 . 1 1 41 41 GLY H H 41 8.868 8.868 8.227 0.641 18357 1962 1 18 . 1 1 42 42 CYS HA H 42 4.827 4.827 5.101 -0.274 18357 1963 1 18 . 1 1 42 42 CYS H H 42 8.402 8.402 8.537 -0.135 18357 1964 1 18 . 1 1 43 43 ALA HA H 43 4.008 4.008 3.822 0.186 18357 1965 1 18 . 1 1 43 43 ALA H H 43 9.090 9.090 8.527 0.563 18357 1966 1 18 . 1 1 44 44 SER HA H 44 4.320 4.320 4.267 0.053 18357 1967 1 18 . 1 1 44 44 SER H H 44 8.421 8.421 8.721 -0.300 18357 1968 1 18 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.425 -0.090 18357 1969 1 18 . 1 1 45 45 CYS H H 45 7.166 7.166 7.791 -0.625 18357 1970 1 18 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.296 0.314 18357 1971 1 18 . 1 1 46 46 PHE H H 46 8.084 8.084 7.592 0.492 18357 1972 1 18 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.727 0.486 18357 1973 1 18 . 1 1 47 47 CYS H H 47 8.944 8.944 8.227 0.717 18357 1974 1 18 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.368 -0.380 18357 1975 1 18 . 1 1 48 48 GLU H H 48 7.982 7.982 7.582 0.400 18357 1976 1 18 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.476 0.151 18357 1977 1 18 . 1 1 49 49 ASP H H 49 6.826 6.826 8.334 -1.508 18357 1978 1 18 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.730 -0.094 18357 1979 1 18 . 1 1 50 50 HIS H H 50 7.297 7.297 7.857 -0.560 18357 1980 1 18 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.714 -0.205 18357 1981 1 18 . 1 1 51 51 CYS H H 51 8.394 8.394 8.178 0.216 18357 1982 1 18 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.629 0.042 18357 1983 1 18 . 1 1 52 52 HIS H H 52 8.321 8.321 8.619 -0.298 18357 1984 1 18 . 1 1 53 53 GLY H H 53 9.149 9.149 8.547 0.602 18357 1985 1 18 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.315 -0.262 18357 1986 1 18 . 1 1 54 54 VAL H H 54 8.993 8.993 8.204 0.789 18357 1987 1 18 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.164 0.073 18357 1988 1 18 . 1 1 55 55 CYS H H 55 7.249 7.249 7.901 -0.652 18357 1989 1 18 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.205 -0.097 18357 1990 1 18 . 1 1 56 56 LYS H H 56 6.535 6.535 7.888 -1.353 18357 1991 1 18 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.547 -0.394 18357 1992 1 18 . 1 1 57 57 ASP H H 57 8.435 8.435 7.876 0.559 18357 1993 1 18 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.367 -0.128 18357 1994 1 18 . 1 1 58 58 LEU H H 58 7.690 7.690 7.675 0.015 18357 1995 1 18 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.309 0.083 18357 1996 1 18 . 1 1 59 59 HIS H H 59 7.947 7.947 7.730 0.217 18357 1997 1 18 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.492 -0.144 18357 1998 1 18 . 1 1 60 60 LEU H H 60 7.780 7.780 7.763 0.017 18357 1999 1 19 . 1 1 2 2 MET HA H 2 4.779 4.779 4.349 0.430 18357 2000 1 19 . 1 1 2 2 MET H H 2 8.721 8.721 8.392 0.329 18357 2001 1 19 . 1 1 3 3 GLY H H 3 8.466 8.466 7.789 0.677 18357 2002 1 19 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.377 -0.058 18357 2003 1 19 . 1 1 4 4 LYS H H 4 8.312 8.312 8.343 -0.031 18357 2004 1 19 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.750 -0.168 18357 2005 1 19 . 1 1 5 5 CYS H H 5 8.745 8.745 7.637 1.108 18357 2006 1 19 . 1 1 6 6 SER HA H 6 4.505 4.505 4.342 0.163 18357 2007 1 19 . 1 1 6 6 SER H H 6 8.457 8.457 8.263 0.194 18357 2008 1 19 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.830 -0.090 18357 2009 1 19 . 1 1 7 7 VAL H H 7 8.591 8.591 8.508 0.083 18357 2010 1 19 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.319 -0.179 18357 2011 1 19 . 1 1 8 8 LEU H H 8 7.751 7.751 7.887 -0.136 18357 2012 1 19 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.153 -0.049 18357 2013 1 19 . 1 1 9 9 LYS H H 9 7.834 7.834 8.210 -0.376 18357 2014 1 19 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.245 -0.565 18357 2015 1 19 . 1 1 10 10 LYS H H 10 8.602 8.602 7.856 0.746 18357 2016 1 19 . 1 1 11 11 VAL HA H 11 3.767 3.767 4.033 -0.266 18357 2017 1 19 . 1 1 11 11 VAL H H 11 7.550 7.550 7.333 0.217 18357 2018 1 19 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.426 -0.159 18357 2019 1 19 . 1 1 12 12 ALA H H 12 7.911 7.911 7.291 0.620 18357 2020 1 19 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.201 0.420 18357 2021 1 19 . 1 1 13 13 CYS H H 13 8.379 8.379 8.051 0.328 18357 2022 1 19 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.180 -0.137 18357 2023 1 19 . 1 1 14 14 ALA H H 14 7.595 7.595 7.865 -0.270 18357 2024 1 19 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.134 0.101 18357 2025 1 19 . 1 1 15 15 ALA H H 15 8.756 8.756 7.552 1.204 18357 2026 1 19 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.349 -0.249 18357 2027 1 19 . 1 1 16 16 ALA H H 16 8.587 8.587 7.185 1.402 18357 2028 1 19 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.934 0.262 18357 2029 1 19 . 1 1 17 17 ILE H H 17 8.505 8.505 8.700 -0.195 18357 2030 1 19 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.042 0.040 18357 2031 1 19 . 1 1 18 18 ALA H H 18 8.304 8.304 7.667 0.637 18357 2032 1 19 . 1 1 19 19 GLY H H 19 8.402 8.402 7.998 0.404 18357 2033 1 19 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.131 -0.040 18357 2034 1 19 . 1 1 20 20 ALA H H 20 7.985 7.985 7.856 0.129 18357 2035 1 19 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.756 -0.339 18357 2036 1 19 . 1 1 21 21 VAL H H 21 8.456 8.456 8.118 0.338 18357 2037 1 19 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.006 0.101 18357 2038 1 19 . 1 1 22 22 ALA H H 22 7.878 7.878 7.935 -0.057 18357 2039 1 19 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.107 0.013 18357 2040 1 19 . 1 1 23 23 ALA H H 23 8.032 8.032 7.805 0.227 18357 2041 1 19 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.492 0.005 18357 2042 1 19 . 1 1 24 24 CYS H H 24 8.032 8.032 7.853 0.179 18357 2043 1 19 . 1 1 25 25 GLY H H 25 7.977 7.977 8.582 -0.605 18357 2044 1 19 . 1 1 26 26 GLY H H 26 8.098 8.098 8.734 -0.636 18357 2045 1 19 . 1 1 27 27 ILE HA H 27 3.847 3.847 3.953 -0.106 18357 2046 1 19 . 1 1 27 27 ILE H H 27 8.317 8.317 8.542 -0.225 18357 2047 1 19 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.845 0.003 18357 2048 1 19 . 1 1 28 28 ASP H H 28 7.216 7.216 8.320 -1.104 18357 2049 1 19 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.827 -0.793 18357 2050 1 19 . 1 1 29 29 LEU H H 29 8.845 8.845 8.016 0.829 18357 2051 1 19 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.429 -0.271 18357 2052 1 19 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.486 -0.314 18357 2053 1 19 . 1 1 31 31 CYS H H 31 7.310 7.310 8.127 -0.817 18357 2054 1 19 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.931 -0.723 18357 2055 1 19 . 1 1 32 32 VAL H H 32 8.591 8.591 8.439 0.152 18357 2056 1 19 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.076 -0.369 18357 2057 1 19 . 1 1 33 33 LEU H H 33 8.447 8.447 7.664 0.783 18357 2058 1 19 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.357 -0.256 18357 2059 1 19 . 1 1 34 34 ALA H H 34 7.540 7.540 7.660 -0.120 18357 2060 1 19 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.433 -0.235 18357 2061 1 19 . 1 1 35 35 ALA H H 35 7.796 7.796 7.423 0.373 18357 2062 1 19 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.097 0.173 18357 2063 1 19 . 1 1 36 36 LEU H H 36 7.850 7.850 8.702 -0.852 18357 2064 1 19 . 1 1 37 37 LYS HA H 37 4.008 4.008 3.925 0.083 18357 2065 1 19 . 1 1 37 37 LYS H H 37 7.336 7.336 8.414 -1.078 18357 2066 1 19 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.185 0.174 18357 2067 1 19 . 1 1 38 38 ALA H H 38 7.863 7.863 7.345 0.518 18357 2068 1 19 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.590 0.035 18357 2069 1 19 . 1 1 39 39 ALA H H 39 7.862 7.862 7.848 0.014 18357 2070 1 19 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.096 -0.066 18357 2071 1 19 . 1 1 40 40 GLU H H 40 8.105 8.105 8.297 -0.192 18357 2072 1 19 . 1 1 41 41 GLY H H 41 8.868 8.868 8.318 0.550 18357 2073 1 19 . 1 1 42 42 CYS HA H 42 4.827 4.827 5.228 -0.401 18357 2074 1 19 . 1 1 42 42 CYS H H 42 8.402 8.402 8.193 0.209 18357 2075 1 19 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.036 -0.028 18357 2076 1 19 . 1 1 43 43 ALA H H 43 9.090 9.090 7.791 1.299 18357 2077 1 19 . 1 1 44 44 SER HA H 44 4.320 4.320 4.114 0.206 18357 2078 1 19 . 1 1 44 44 SER H H 44 8.421 8.421 8.530 -0.109 18357 2079 1 19 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.306 0.029 18357 2080 1 19 . 1 1 45 45 CYS H H 45 7.166 7.166 7.566 -0.400 18357 2081 1 19 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.111 0.499 18357 2082 1 19 . 1 1 46 46 PHE H H 46 8.084 8.084 7.561 0.523 18357 2083 1 19 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.064 1.149 18357 2084 1 19 . 1 1 47 47 CYS H H 47 8.944 8.944 7.917 1.027 18357 2085 1 19 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.941 0.047 18357 2086 1 19 . 1 1 48 48 GLU H H 48 7.982 7.982 7.905 0.077 18357 2087 1 19 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.551 0.076 18357 2088 1 19 . 1 1 49 49 ASP H H 49 6.826 6.826 8.216 -1.390 18357 2089 1 19 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.266 0.370 18357 2090 1 19 . 1 1 50 50 HIS H H 50 7.297 7.297 7.488 -0.191 18357 2091 1 19 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.309 0.200 18357 2092 1 19 . 1 1 51 51 CYS H H 51 8.394 8.394 8.714 -0.320 18357 2093 1 19 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.776 -0.104 18357 2094 1 19 . 1 1 52 52 HIS H H 52 8.321 8.321 8.209 0.112 18357 2095 1 19 . 1 1 53 53 GLY H H 53 9.149 9.149 8.605 0.544 18357 2096 1 19 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.269 -0.216 18357 2097 1 19 . 1 1 54 54 VAL H H 54 8.993 8.993 8.350 0.643 18357 2098 1 19 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.166 0.071 18357 2099 1 19 . 1 1 55 55 CYS H H 55 7.249 7.249 8.506 -1.257 18357 2100 1 19 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.146 -0.038 18357 2101 1 19 . 1 1 56 56 LYS H H 56 6.535 6.535 8.046 -1.511 18357 2102 1 19 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.479 -0.326 18357 2103 1 19 . 1 1 57 57 ASP H H 57 8.435 8.435 7.851 0.584 18357 2104 1 19 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.169 0.070 18357 2105 1 19 . 1 1 58 58 LEU H H 58 7.690 7.690 8.161 -0.471 18357 2106 1 19 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.326 0.066 18357 2107 1 19 . 1 1 59 59 HIS H H 59 7.947 7.947 8.045 -0.098 18357 2108 1 19 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.620 -0.272 18357 2109 1 19 . 1 1 60 60 LEU H H 60 7.780 7.780 8.254 -0.474 18357 2110 1 20 . 1 1 2 2 MET HA H 2 4.779 4.779 4.374 0.405 18357 2111 1 20 . 1 1 2 2 MET H H 2 8.721 8.721 8.536 0.185 18357 2112 1 20 . 1 1 3 3 GLY H H 3 8.466 8.466 7.730 0.736 18357 2113 1 20 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.197 0.122 18357 2114 1 20 . 1 1 4 4 LYS H H 4 8.312 8.312 8.124 0.188 18357 2115 1 20 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.669 -0.087 18357 2116 1 20 . 1 1 5 5 CYS H H 5 8.745 8.745 7.942 0.803 18357 2117 1 20 . 1 1 6 6 SER HA H 6 4.505 4.505 4.376 0.129 18357 2118 1 20 . 1 1 6 6 SER H H 6 8.457 8.457 7.731 0.726 18357 2119 1 20 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.833 -0.093 18357 2120 1 20 . 1 1 7 7 VAL H H 7 8.591 8.591 8.568 0.023 18357 2121 1 20 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.460 -0.320 18357 2122 1 20 . 1 1 8 8 LEU H H 8 7.751 7.751 7.805 -0.054 18357 2123 1 20 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.180 -0.076 18357 2124 1 20 . 1 1 9 9 LYS H H 9 7.834 7.834 8.211 -0.377 18357 2125 1 20 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.159 -0.479 18357 2126 1 20 . 1 1 10 10 LYS H H 10 8.602 8.602 7.873 0.729 18357 2127 1 20 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.948 -0.181 18357 2128 1 20 . 1 1 11 11 VAL H H 11 7.550 7.550 7.273 0.277 18357 2129 1 20 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.443 -0.176 18357 2130 1 20 . 1 1 12 12 ALA H H 12 7.911 7.911 7.495 0.416 18357 2131 1 20 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.263 0.358 18357 2132 1 20 . 1 1 13 13 CYS H H 13 8.379 8.379 8.305 0.074 18357 2133 1 20 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.188 -0.145 18357 2134 1 20 . 1 1 14 14 ALA H H 14 7.595 7.595 7.913 -0.318 18357 2135 1 20 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.269 -0.034 18357 2136 1 20 . 1 1 15 15 ALA H H 15 8.756 8.756 8.017 0.739 18357 2137 1 20 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.318 -0.218 18357 2138 1 20 . 1 1 16 16 ALA H H 16 8.587 8.587 7.598 0.989 18357 2139 1 20 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.947 0.249 18357 2140 1 20 . 1 1 17 17 ILE H H 17 8.505 8.505 8.666 -0.161 18357 2141 1 20 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.140 -0.058 18357 2142 1 20 . 1 1 18 18 ALA H H 18 8.304 8.304 7.579 0.725 18357 2143 1 20 . 1 1 19 19 GLY H H 19 8.402 8.402 8.179 0.223 18357 2144 1 20 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.282 -0.191 18357 2145 1 20 . 1 1 20 20 ALA H H 20 7.985 7.985 7.366 0.619 18357 2146 1 20 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.775 -0.358 18357 2147 1 20 . 1 1 21 21 VAL H H 21 8.456 8.456 8.567 -0.111 18357 2148 1 20 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.058 0.049 18357 2149 1 20 . 1 1 22 22 ALA H H 22 7.878 7.878 7.699 0.179 18357 2150 1 20 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.133 -0.013 18357 2151 1 20 . 1 1 23 23 ALA H H 23 8.032 8.032 7.771 0.261 18357 2152 1 20 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.497 0.000 18357 2153 1 20 . 1 1 24 24 CYS H H 24 8.032 8.032 7.624 0.408 18357 2154 1 20 . 1 1 25 25 GLY H H 25 7.977 7.977 8.626 -0.649 18357 2155 1 20 . 1 1 26 26 GLY H H 26 8.098 8.098 7.672 0.426 18357 2156 1 20 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.164 -0.317 18357 2157 1 20 . 1 1 27 27 ILE H H 27 8.317 8.317 8.333 -0.016 18357 2158 1 20 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.906 -0.058 18357 2159 1 20 . 1 1 28 28 ASP H H 28 7.216 7.216 8.054 -0.838 18357 2160 1 20 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.935 -0.901 18357 2161 1 20 . 1 1 29 29 LEU H H 29 8.845 8.845 8.235 0.610 18357 2162 1 20 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.403 -0.245 18357 2163 1 20 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.466 -0.294 18357 2164 1 20 . 1 1 31 31 CYS H H 31 7.310 7.310 7.873 -0.563 18357 2165 1 20 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.776 -0.568 18357 2166 1 20 . 1 1 32 32 VAL H H 32 8.591 8.591 8.509 0.082 18357 2167 1 20 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.170 -0.463 18357 2168 1 20 . 1 1 33 33 LEU H H 33 8.447 8.447 7.287 1.160 18357 2169 1 20 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.339 -0.238 18357 2170 1 20 . 1 1 34 34 ALA H H 34 7.540 7.540 7.445 0.095 18357 2171 1 20 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.478 -0.280 18357 2172 1 20 . 1 1 35 35 ALA H H 35 7.796 7.796 7.540 0.256 18357 2173 1 20 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.083 0.187 18357 2174 1 20 . 1 1 36 36 LEU H H 36 7.850 7.850 8.600 -0.750 18357 2175 1 20 . 1 1 37 37 LYS HA H 37 4.008 4.008 3.924 0.084 18357 2176 1 20 . 1 1 37 37 LYS H H 37 7.336 7.336 8.414 -1.078 18357 2177 1 20 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.227 0.132 18357 2178 1 20 . 1 1 38 38 ALA H H 38 7.863 7.863 7.407 0.456 18357 2179 1 20 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.305 0.320 18357 2180 1 20 . 1 1 39 39 ALA H H 39 7.862 7.862 7.981 -0.119 18357 2181 1 20 . 1 1 40 40 GLU HA H 40 4.030 4.030 3.964 0.066 18357 2182 1 20 . 1 1 40 40 GLU H H 40 8.105 8.105 8.224 -0.119 18357 2183 1 20 . 1 1 41 41 GLY H H 41 8.868 8.868 8.442 0.426 18357 2184 1 20 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.680 0.147 18357 2185 1 20 . 1 1 42 42 CYS H H 42 8.402 8.402 8.646 -0.244 18357 2186 1 20 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.095 -0.087 18357 2187 1 20 . 1 1 43 43 ALA H H 43 9.090 9.090 8.113 0.977 18357 2188 1 20 . 1 1 44 44 SER HA H 44 4.320 4.320 4.108 0.212 18357 2189 1 20 . 1 1 44 44 SER H H 44 8.421 8.421 8.388 0.033 18357 2190 1 20 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.532 -0.197 18357 2191 1 20 . 1 1 45 45 CYS H H 45 7.166 7.166 7.548 -0.382 18357 2192 1 20 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.184 0.426 18357 2193 1 20 . 1 1 46 46 PHE H H 46 8.084 8.084 7.618 0.466 18357 2194 1 20 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.271 0.942 18357 2195 1 20 . 1 1 47 47 CYS H H 47 8.944 8.944 8.347 0.597 18357 2196 1 20 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.894 0.094 18357 2197 1 20 . 1 1 48 48 GLU H H 48 7.982 7.982 7.275 0.707 18357 2198 1 20 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.471 0.156 18357 2199 1 20 . 1 1 49 49 ASP H H 49 6.826 6.826 7.565 -0.739 18357 2200 1 20 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.809 -0.173 18357 2201 1 20 . 1 1 50 50 HIS H H 50 7.297 7.297 7.253 0.044 18357 2202 1 20 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.728 -0.219 18357 2203 1 20 . 1 1 51 51 CYS H H 51 8.394 8.394 8.778 -0.384 18357 2204 1 20 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.605 0.066 18357 2205 1 20 . 1 1 52 52 HIS H H 52 8.321 8.321 7.840 0.481 18357 2206 1 20 . 1 1 53 53 GLY H H 53 9.149 9.149 8.790 0.359 18357 2207 1 20 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.097 -0.044 18357 2208 1 20 . 1 1 54 54 VAL H H 54 8.993 8.993 8.221 0.772 18357 2209 1 20 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.215 0.022 18357 2210 1 20 . 1 1 55 55 CYS H H 55 7.249 7.249 8.306 -1.057 18357 2211 1 20 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.181 -0.073 18357 2212 1 20 . 1 1 56 56 LYS H H 56 6.535 6.535 7.545 -1.010 18357 2213 1 20 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.594 -0.441 18357 2214 1 20 . 1 1 57 57 ASP H H 57 8.435 8.435 7.895 0.540 18357 2215 1 20 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.224 0.015 18357 2216 1 20 . 1 1 58 58 LEU H H 58 7.690 7.690 7.809 -0.119 18357 2217 1 20 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.255 0.137 18357 2218 1 20 . 1 1 59 59 HIS H H 59 7.947 7.947 7.571 0.376 18357 2219 1 20 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.742 -0.394 18357 2220 1 20 . 1 1 60 60 LEU H H 60 7.780 7.780 7.944 -0.164 18357 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 0 0.000 0.000 0.000 18357 2 1 1 "Average Difference" HA 64 0.299 -0.002 0.302 18357 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18357 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18357 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18357 6 1 1 "Average Difference" HN 58 0.674 -0.124 0.669 18357 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18357 8 1 2 "Average Difference" HA 64 0.292 0.019 0.294 18357 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18357 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18357 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18357 12 1 2 "Average Difference" HN 58 0.611 -0.095 0.609 18357 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18357 14 1 3 "Average Difference" HA 64 0.270 0.022 0.271 18357 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18357 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18357 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18357 18 1 3 "Average Difference" HN 58 0.620 -0.064 0.622 18357 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18357 20 1 4 "Average Difference" HA 64 0.313 -0.021 0.315 18357 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18357 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18357 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18357 24 1 4 "Average Difference" HN 58 0.645 -0.049 0.649 18357 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18357 26 1 5 "Average Difference" HA 64 0.313 -0.005 0.316 18357 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18357 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18357 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18357 30 1 5 "Average Difference" HN 58 0.593 -0.103 0.589 18357 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18357 32 1 6 "Average Difference" HA 64 0.311 0.007 0.313 18357 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18357 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18357 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18357 36 1 6 "Average Difference" HN 58 0.583 -0.054 0.585 18357 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18357 38 1 7 "Average Difference" HA 64 0.284 0.012 0.286 18357 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18357 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18357 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18357 42 1 7 "Average Difference" HN 58 0.531 -0.127 0.521 18357 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18357 44 1 8 "Average Difference" HA 64 0.297 -0.015 0.299 18357 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18357 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18357 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18357 48 1 8 "Average Difference" HN 58 0.600 -0.046 0.603 18357 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18357 50 1 9 "Average Difference" HA 64 0.299 0.016 0.300 18357 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18357 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18357 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18357 54 1 9 "Average Difference" HN 58 0.641 -0.042 0.646 18357 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18357 56 1 10 "Average Difference" HA 64 0.278 0.025 0.279 18357 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18357 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18357 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18357 60 1 10 "Average Difference" HN 58 0.625 -0.111 0.621 18357 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18357 62 1 11 "Average Difference" HA 64 0.307 -0.006 0.310 18357 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18357 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18357 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18357 66 1 11 "Average Difference" HN 58 0.654 -0.049 0.658 18357 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18357 68 1 12 "Average Difference" HA 64 0.288 0.003 0.290 18357 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18357 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18357 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18357 72 1 12 "Average Difference" HN 58 0.612 -0.064 0.614 18357 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18357 74 1 13 "Average Difference" HA 64 0.299 0.009 0.302 18357 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18357 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18357 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18357 78 1 13 "Average Difference" HN 58 0.555 -0.136 0.542 18357 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18357 80 1 14 "Average Difference" HA 64 0.303 0.032 0.303 18357 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18357 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18357 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18357 84 1 14 "Average Difference" HN 58 0.587 -0.089 0.585 18357 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18357 86 1 15 "Average Difference" HA 64 0.312 -0.012 0.314 18357 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18357 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18357 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18357 90 1 15 "Average Difference" HN 58 0.656 -0.093 0.655 18357 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18357 92 1 16 "Average Difference" HA 64 0.302 0.025 0.303 18357 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18357 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18357 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18357 96 1 16 "Average Difference" HN 58 0.669 -0.077 0.670 18357 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18357 98 1 17 "Average Difference" HA 64 0.297 0.016 0.299 18357 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18357 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18357 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18357 102 1 17 "Average Difference" HN 58 0.613 -0.114 0.608 18357 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18357 104 1 18 "Average Difference" HA 64 0.294 0.020 0.296 18357 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18357 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18357 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18357 108 1 18 "Average Difference" HN 58 0.606 -0.106 0.602 18357 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18357 110 1 19 "Average Difference" HA 64 0.304 0.005 0.306 18357 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18357 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18357 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18357 114 1 19 "Average Difference" HN 58 0.654 -0.071 0.655 18357 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18357 116 1 20 "Average Difference" HA 64 0.311 -0.000 0.314 18357 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18357 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18357 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18357 120 1 20 "Average Difference" HN 58 0.552 -0.136 0.539 18357 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 18357 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 MET HA H 2 4.779 4.779 4.511 0.268 18357 2 1 . 1 1 2 2 MET H H 2 8.721 8.721 8.650 0.071 18357 3 1 . 1 1 3 3 GLY H H 3 8.466 8.466 7.979 0.487 18357 4 1 . 1 1 4 4 LYS HA H 4 4.319 4.319 4.326 -0.007 18357 5 1 . 1 1 4 4 LYS H H 4 8.312 8.312 8.332 -0.020 18357 6 1 . 1 1 5 5 CYS HA H 5 4.582 4.582 4.729 -0.147 18357 7 1 . 1 1 5 5 CYS H H 5 8.745 8.745 7.835 0.910 18357 8 1 . 1 1 6 6 SER HA H 6 4.505 4.505 4.476 0.029 18357 9 1 . 1 1 6 6 SER H H 6 8.457 8.457 8.121 0.336 18357 10 1 . 1 1 7 7 VAL HA H 7 3.740 3.740 3.810 -0.070 18357 11 1 . 1 1 7 7 VAL H H 7 8.591 8.591 8.538 0.053 18357 12 1 . 1 1 8 8 LEU HA H 8 4.140 4.140 4.304 -0.164 18357 13 1 . 1 1 8 8 LEU H H 8 7.751 7.751 7.920 -0.169 18357 14 1 . 1 1 9 9 LYS HA H 9 4.104 4.104 4.142 -0.038 18357 15 1 . 1 1 9 9 LYS H H 9 7.834 7.834 8.061 -0.227 18357 16 1 . 1 1 10 10 LYS HA H 10 3.680 3.680 4.193 -0.513 18357 17 1 . 1 1 10 10 LYS H H 10 8.602 8.602 7.783 0.819 18357 18 1 . 1 1 11 11 VAL HA H 11 3.767 3.767 3.970 -0.203 18357 19 1 . 1 1 11 11 VAL H H 11 7.550 7.550 7.370 0.180 18357 20 1 . 1 1 12 12 ALA HA H 12 4.267 4.267 4.416 -0.149 18357 21 1 . 1 1 12 12 ALA H H 12 7.911 7.911 7.617 0.294 18357 22 1 . 1 1 13 13 CYS HA H 13 4.621 4.621 4.204 0.417 18357 23 1 . 1 1 13 13 CYS H H 13 8.379 8.379 8.073 0.306 18357 24 1 . 1 1 14 14 ALA HA H 14 4.043 4.043 4.133 -0.090 18357 25 1 . 1 1 14 14 ALA H H 14 7.595 7.595 8.222 -0.627 18357 26 1 . 1 1 15 15 ALA HA H 15 4.235 4.235 4.234 0.001 18357 27 1 . 1 1 15 15 ALA H H 15 8.756 8.756 7.687 1.069 18357 28 1 . 1 1 16 16 ALA HA H 16 4.100 4.100 4.228 -0.128 18357 29 1 . 1 1 16 16 ALA H H 16 8.587 8.587 7.730 0.857 18357 30 1 . 1 1 17 17 ILE HA H 17 4.196 4.196 3.862 0.334 18357 31 1 . 1 1 17 17 ILE H H 17 8.505 8.505 8.437 0.068 18357 32 1 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.052 0.030 18357 33 1 . 1 1 18 18 ALA H H 18 8.304 8.304 7.918 0.386 18357 34 1 . 1 1 19 19 GLY H H 19 8.402 8.402 8.047 0.355 18357 35 1 . 1 1 20 20 ALA HA H 20 4.091 4.091 4.170 -0.079 18357 36 1 . 1 1 20 20 ALA H H 20 7.985 7.985 7.687 0.298 18357 37 1 . 1 1 21 21 VAL HA H 21 3.417 3.417 3.784 -0.366 18357 38 1 . 1 1 21 21 VAL H H 21 8.456 8.456 8.198 0.258 18357 39 1 . 1 1 22 22 ALA HA H 22 4.107 4.107 4.044 0.063 18357 40 1 . 1 1 22 22 ALA H H 22 7.878 7.878 7.985 -0.107 18357 41 1 . 1 1 23 23 ALA HA H 23 4.120 4.120 4.158 -0.038 18357 42 1 . 1 1 23 23 ALA H H 23 8.032 8.032 7.658 0.374 18357 43 1 . 1 1 24 24 CYS HA H 24 4.497 4.497 4.525 -0.028 18357 44 1 . 1 1 24 24 CYS H H 24 8.032 8.032 7.765 0.267 18357 45 1 . 1 1 25 25 GLY H H 25 7.977 7.977 8.610 -0.633 18357 46 1 . 1 1 26 26 GLY H H 26 8.098 8.098 7.917 0.181 18357 47 1 . 1 1 27 27 ILE HA H 27 3.847 3.847 4.078 -0.231 18357 48 1 . 1 1 27 27 ILE H H 27 8.317 8.317 8.384 -0.067 18357 49 1 . 1 1 28 28 ASP HA H 28 4.848 4.848 4.873 -0.025 18357 50 1 . 1 1 28 28 ASP H H 28 7.216 7.216 8.386 -1.170 18357 51 1 . 1 1 29 29 LEU HA H 29 4.034 4.034 4.892 -0.858 18357 52 1 . 1 1 29 29 LEU H H 29 8.845 8.845 7.895 0.950 18357 53 1 . 1 1 30 30 PRO HA H 30 4.158 4.158 4.415 -0.257 18357 54 1 . 1 1 31 31 CYS HA H 31 4.172 4.172 4.476 -0.304 18357 55 1 . 1 1 31 31 CYS H H 31 7.310 7.310 8.029 -0.719 18357 56 1 . 1 1 32 32 VAL HA H 32 3.208 3.208 3.832 -0.624 18357 57 1 . 1 1 32 32 VAL H H 32 8.591 8.591 8.544 0.047 18357 58 1 . 1 1 33 33 LEU HA H 33 3.707 3.707 4.027 -0.320 18357 59 1 . 1 1 33 33 LEU H H 33 8.447 8.447 7.561 0.886 18357 60 1 . 1 1 34 34 ALA HA H 34 4.101 4.101 4.268 -0.167 18357 61 1 . 1 1 34 34 ALA H H 34 7.540 7.540 7.605 -0.065 18357 62 1 . 1 1 35 35 ALA HA H 35 4.198 4.198 4.419 -0.221 18357 63 1 . 1 1 35 35 ALA H H 35 7.796 7.796 7.506 0.290 18357 64 1 . 1 1 36 36 LEU HA H 36 4.270 4.270 4.076 0.194 18357 65 1 . 1 1 36 36 LEU H H 36 7.850 7.850 8.697 -0.847 18357 66 1 . 1 1 37 37 LYS HA H 37 4.008 4.008 3.983 0.025 18357 67 1 . 1 1 37 37 LYS H H 37 7.336 7.336 8.091 -0.755 18357 68 1 . 1 1 38 38 ALA HA H 38 4.359 4.359 4.306 0.053 18357 69 1 . 1 1 38 38 ALA H H 38 7.863 7.863 7.320 0.543 18357 70 1 . 1 1 39 39 ALA HA H 39 4.625 4.625 4.317 0.308 18357 71 1 . 1 1 39 39 ALA H H 39 7.862 7.862 7.658 0.204 18357 72 1 . 1 1 40 40 GLU HA H 40 4.030 4.030 4.081 -0.051 18357 73 1 . 1 1 40 40 GLU H H 40 8.105 8.105 8.380 -0.275 18357 74 1 . 1 1 41 41 GLY H H 41 8.868 8.868 8.195 0.673 18357 75 1 . 1 1 42 42 CYS HA H 42 4.827 4.827 4.941 -0.114 18357 76 1 . 1 1 42 42 CYS H H 42 8.402 8.402 8.475 -0.073 18357 77 1 . 1 1 43 43 ALA HA H 43 4.008 4.008 4.049 -0.041 18357 78 1 . 1 1 43 43 ALA H H 43 9.090 9.090 8.338 0.752 18357 79 1 . 1 1 44 44 SER HA H 44 4.320 4.320 4.170 0.150 18357 80 1 . 1 1 44 44 SER H H 44 8.421 8.421 8.401 0.020 18357 81 1 . 1 1 45 45 CYS HA H 45 4.335 4.335 4.414 -0.079 18357 82 1 . 1 1 45 45 CYS H H 45 7.166 7.166 7.635 -0.469 18357 83 1 . 1 1 46 46 PHE HA H 46 4.610 4.610 4.194 0.416 18357 84 1 . 1 1 46 46 PHE H H 46 8.084 8.084 7.630 0.454 18357 85 1 . 1 1 47 47 CYS HA H 47 4.213 4.213 3.511 0.702 18357 86 1 . 1 1 47 47 CYS H H 47 8.944 8.944 8.188 0.756 18357 87 1 . 1 1 48 48 GLU HA H 48 3.988 3.988 4.036 -0.048 18357 88 1 . 1 1 48 48 GLU H H 48 7.982 7.982 7.559 0.423 18357 89 1 . 1 1 49 49 ASP HA H 49 4.627 4.627 4.490 0.137 18357 90 1 . 1 1 49 49 ASP H H 49 6.826 6.826 7.977 -1.151 18357 91 1 . 1 1 50 50 HIS HA H 50 4.636 4.636 4.655 -0.019 18357 92 1 . 1 1 50 50 HIS H H 50 7.297 7.297 7.579 -0.282 18357 93 1 . 1 1 51 51 CYS HA H 51 4.509 4.509 4.512 -0.003 18357 94 1 . 1 1 51 51 CYS H H 51 8.394 8.394 8.422 -0.028 18357 95 1 . 1 1 52 52 HIS HA H 52 4.671 4.671 4.629 0.042 18357 96 1 . 1 1 52 52 HIS H H 52 8.321 8.321 8.203 0.118 18357 97 1 . 1 1 53 53 GLY H H 53 9.149 9.149 8.659 0.490 18357 98 1 . 1 1 54 54 VAL HA H 54 4.053 4.053 4.276 -0.223 18357 99 1 . 1 1 54 54 VAL H H 54 8.993 8.993 8.198 0.795 18357 100 1 . 1 1 55 55 CYS HA H 55 4.237 4.237 4.215 0.022 18357 101 1 . 1 1 55 55 CYS H H 55 7.249 7.249 8.266 -1.017 18357 102 1 . 1 1 56 56 LYS HA H 56 4.108 4.108 4.200 -0.092 18357 103 1 . 1 1 56 56 LYS H H 56 6.535 6.535 7.851 -1.316 18357 104 1 . 1 1 57 57 ASP HA H 57 4.153 4.153 4.523 -0.370 18357 105 1 . 1 1 57 57 ASP H H 57 8.435 8.435 7.726 0.709 18357 106 1 . 1 1 58 58 LEU HA H 58 4.239 4.239 4.223 0.016 18357 107 1 . 1 1 58 58 LEU H H 58 7.690 7.690 8.029 -0.339 18357 108 1 . 1 1 59 59 HIS HA H 59 4.392 4.392 4.318 0.074 18357 109 1 . 1 1 59 59 HIS H H 59 7.947 7.947 7.863 0.083 18357 110 1 . 1 1 60 60 LEU HA H 60 4.348 4.348 4.701 -0.353 18357 111 1 . 1 1 60 60 LEU H H 60 7.780 7.780 8.105 -0.324 18357 stop_ save_