data_17823 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17823 _Entry.PDB_ID 2LGU 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 17823 _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 VAL HA H 2 4.431 4.431 4.968 -0.537 17823 2 1 1 . 1 1 2 2 VAL H H 2 8.658 8.658 7.980 0.678 17823 3 1 1 . 1 1 3 3 LEU HA H 3 4.592 4.592 4.850 -0.258 17823 4 1 1 . 1 1 3 3 LEU H H 3 8.823 8.823 9.294 -0.471 17823 5 1 1 . 1 1 4 4 LYS HA H 4 3.989 3.989 4.186 -0.197 17823 6 1 1 . 1 1 4 4 LYS H H 4 8.943 8.943 8.759 0.184 17823 7 1 1 . 1 1 5 5 TYR HA H 5 4.649 4.649 4.610 0.039 17823 8 1 1 . 1 1 5 5 TYR H H 5 7.196 7.196 7.045 0.151 17823 9 1 1 . 1 1 6 6 CYS HA H 6 5.044 5.044 4.522 0.522 17823 10 1 1 . 1 1 6 6 CYS H H 6 9.152 9.152 8.757 0.395 17823 11 1 1 . 1 1 7 7 PRO HA H 7 4.524 4.524 4.601 -0.077 17823 12 1 1 . 1 1 8 8 LYS HA H 8 4.143 4.143 3.977 0.166 17823 13 1 1 . 1 1 8 8 LYS H H 8 8.703 8.703 8.630 0.073 17823 14 1 1 . 1 1 9 9 ILE HA H 9 4.341 4.341 3.984 0.357 17823 15 1 1 . 1 1 9 9 ILE H H 9 7.171 7.171 7.951 -0.780 17823 16 1 1 . 1 1 10 10 GLY H H 10 8.237 8.237 7.463 0.774 17823 17 1 1 . 1 1 11 11 TYR HA H 11 4.767 4.767 4.958 -0.191 17823 18 1 1 . 1 1 11 11 TYR H H 11 7.230 7.230 8.043 -0.813 17823 19 1 1 . 1 1 12 12 CYS HA H 12 5.897 5.897 5.391 0.506 17823 20 1 1 . 1 1 12 12 CYS H H 12 8.956 8.956 8.701 0.255 17823 21 1 1 . 1 1 13 13 SER HA H 13 4.692 4.692 4.723 -0.031 17823 22 1 1 . 1 1 14 14 ASN HA H 14 4.757 4.757 4.536 0.221 17823 23 1 1 . 1 1 14 14 ASN H H 14 8.721 8.721 8.819 -0.098 17823 24 1 1 . 1 1 15 15 THR HA H 15 4.111 4.111 3.516 0.595 17823 25 1 1 . 1 1 15 15 THR H H 15 7.640 7.640 7.362 0.278 17823 26 1 1 . 1 1 16 16 CYS HA H 16 4.858 4.858 4.437 0.421 17823 27 1 1 . 1 1 16 16 CYS H H 16 4.379 4.379 6.468 -2.089 17823 28 1 1 . 1 1 17 17 SER HA H 17 4.639 4.639 4.388 0.251 17823 29 1 1 . 1 1 17 17 SER H H 17 8.375 8.375 9.138 -0.763 17823 30 1 1 . 1 1 18 18 LYS HA H 18 4.406 4.406 4.134 0.272 17823 31 1 1 . 1 1 18 18 LYS H H 18 8.794 8.794 8.833 -0.039 17823 32 1 1 . 1 1 19 19 THR HA H 19 4.471 4.471 4.130 0.341 17823 33 1 1 . 1 1 19 19 THR H H 19 8.057 8.057 8.217 -0.160 17823 34 1 1 . 1 1 20 20 GLN HA H 20 4.577 4.577 4.552 0.025 17823 35 1 1 . 1 1 20 20 GLN H H 20 7.264 7.264 7.742 -0.478 17823 36 1 1 . 1 1 21 21 ILE HA H 21 4.267 4.267 4.186 0.081 17823 37 1 1 . 1 1 21 21 ILE H H 21 9.161 9.161 8.126 1.035 17823 38 1 1 . 1 1 22 22 TRP HA H 22 4.894 4.894 4.572 0.322 17823 39 1 1 . 1 1 22 22 TRP H H 22 9.220 9.220 9.027 0.193 17823 40 1 1 . 1 1 23 23 ALA HA H 23 4.857 4.857 4.281 0.576 17823 41 1 1 . 1 1 23 23 ALA H H 23 8.124 8.124 8.315 -0.191 17823 42 1 1 . 1 1 24 24 THR HA H 24 4.686 4.686 4.272 0.414 17823 43 1 1 . 1 1 24 24 THR H H 24 8.577 8.577 8.343 0.234 17823 44 1 1 . 1 1 25 25 SER HA H 25 5.093 5.093 4.854 0.239 17823 45 1 1 . 1 1 25 25 SER H H 25 9.536 9.536 8.383 1.153 17823 46 1 1 . 1 1 26 26 HIS HA H 26 4.497 4.497 4.205 0.292 17823 47 1 1 . 1 1 26 26 HIS H H 26 7.845 7.845 9.141 -1.296 17823 48 1 1 . 1 1 28 28 CYS HA H 28 5.139 5.139 4.778 0.361 17823 49 1 1 . 1 1 28 28 CYS H H 28 7.329 7.329 7.357 -0.028 17823 50 1 1 . 1 1 29 29 LYS HA H 29 4.061 4.061 4.109 -0.048 17823 51 1 1 . 1 1 29 29 LYS H H 29 9.020 9.020 8.507 0.513 17823 52 1 1 . 1 1 30 30 MET HA H 30 4.501 4.501 4.595 -0.094 17823 53 1 1 . 1 1 31 31 TYR HA H 31 5.115 5.115 4.486 0.629 17823 54 1 1 . 1 1 31 31 TYR H H 31 7.863 7.863 8.180 -0.317 17823 55 1 1 . 1 1 32 32 CYS HA H 32 4.880 4.880 4.644 0.236 17823 56 1 1 . 1 1 32 32 CYS H H 32 8.876 8.876 8.680 0.196 17823 57 1 1 . 1 1 33 33 CYS HA H 33 4.890 4.890 4.643 0.247 17823 58 1 1 . 1 1 33 33 CYS H H 33 8.657 8.657 8.926 -0.269 17823 59 1 1 . 1 1 34 34 LEU HA H 34 4.703 4.703 4.454 0.249 17823 60 1 1 . 1 1 34 34 LEU H H 34 8.783 8.783 7.952 0.831 17823 61 1 1 . 1 1 35 35 PRO HA H 35 4.621 4.621 4.334 0.287 17823 62 1 1 . 1 1 36 36 ALA HA H 36 4.172 4.172 4.024 0.148 17823 63 1 1 . 1 1 36 36 ALA H H 36 8.623 8.623 8.773 -0.150 17823 64 1 1 . 1 1 37 37 SER HA H 37 4.281 4.281 4.330 -0.049 17823 65 1 1 . 1 1 37 37 SER H H 37 7.771 7.771 7.933 -0.162 17823 66 1 1 . 1 1 38 38 TRP HA H 38 4.217 4.217 4.454 -0.237 17823 67 1 1 . 1 1 38 38 TRP H H 38 8.073 8.073 7.907 0.166 17823 68 1 1 . 1 1 39 39 LYS HA H 39 4.059 4.059 4.199 -0.140 17823 69 1 1 . 1 1 39 39 LYS H H 39 7.190 7.190 7.846 -0.656 17823 70 1 1 . 1 1 40 40 TRP HA H 40 4.202 4.202 3.417 0.784 17823 71 1 1 . 1 1 40 40 TRP H H 40 7.669 7.669 8.064 -0.395 17823 72 1 2 . 1 1 2 2 VAL HA H 2 4.431 4.431 4.972 -0.541 17823 73 1 2 . 1 1 2 2 VAL H H 2 8.658 8.658 8.026 0.632 17823 74 1 2 . 1 1 3 3 LEU HA H 3 4.592 4.592 4.881 -0.289 17823 75 1 2 . 1 1 3 3 LEU H H 3 8.823 8.823 8.565 0.258 17823 76 1 2 . 1 1 4 4 LYS HA H 4 3.989 3.989 4.423 -0.434 17823 77 1 2 . 1 1 4 4 LYS H H 4 8.943 8.943 8.773 0.170 17823 78 1 2 . 1 1 5 5 TYR HA H 5 4.649 4.649 4.671 -0.022 17823 79 1 2 . 1 1 5 5 TYR H H 5 7.196 7.196 7.175 0.021 17823 80 1 2 . 1 1 6 6 CYS HA H 6 5.044 5.044 4.480 0.564 17823 81 1 2 . 1 1 6 6 CYS H H 6 9.152 9.152 8.600 0.552 17823 82 1 2 . 1 1 7 7 PRO HA H 7 4.524 4.524 4.626 -0.102 17823 83 1 2 . 1 1 8 8 LYS HA H 8 4.143 4.143 3.883 0.260 17823 84 1 2 . 1 1 8 8 LYS H H 8 8.703 8.703 8.570 0.133 17823 85 1 2 . 1 1 9 9 ILE HA H 9 4.341 4.341 3.853 0.488 17823 86 1 2 . 1 1 9 9 ILE H H 9 7.171 7.171 7.638 -0.467 17823 87 1 2 . 1 1 10 10 GLY H H 10 8.237 8.237 7.237 1.000 17823 88 1 2 . 1 1 11 11 TYR HA H 11 4.767 4.767 4.711 0.056 17823 89 1 2 . 1 1 11 11 TYR H H 11 7.230 7.230 8.382 -1.152 17823 90 1 2 . 1 1 12 12 CYS HA H 12 5.897 5.897 5.464 0.433 17823 91 1 2 . 1 1 12 12 CYS H H 12 8.956 8.956 8.477 0.479 17823 92 1 2 . 1 1 13 13 SER HA H 13 4.692 4.692 4.692 -0.000 17823 93 1 2 . 1 1 14 14 ASN HA H 14 4.757 4.757 4.487 0.270 17823 94 1 2 . 1 1 14 14 ASN H H 14 8.721 8.721 8.764 -0.043 17823 95 1 2 . 1 1 15 15 THR HA H 15 4.111 4.111 3.466 0.645 17823 96 1 2 . 1 1 15 15 THR H H 15 7.640 7.640 7.441 0.199 17823 97 1 2 . 1 1 16 16 CYS HA H 16 4.858 4.858 4.137 0.721 17823 98 1 2 . 1 1 16 16 CYS H H 16 4.379 4.379 6.110 -1.731 17823 99 1 2 . 1 1 17 17 SER HA H 17 4.639 4.639 4.317 0.322 17823 100 1 2 . 1 1 17 17 SER H H 17 8.375 8.375 8.471 -0.096 17823 101 1 2 . 1 1 18 18 LYS HA H 18 4.406 4.406 4.179 0.227 17823 102 1 2 . 1 1 18 18 LYS H H 18 8.794 8.794 8.958 -0.164 17823 103 1 2 . 1 1 19 19 THR HA H 19 4.471 4.471 4.179 0.292 17823 104 1 2 . 1 1 19 19 THR H H 19 8.057 8.057 7.953 0.104 17823 105 1 2 . 1 1 20 20 GLN HA H 20 4.577 4.577 4.624 -0.047 17823 106 1 2 . 1 1 20 20 GLN H H 20 7.264 7.264 7.678 -0.414 17823 107 1 2 . 1 1 21 21 ILE HA H 21 4.267 4.267 4.162 0.105 17823 108 1 2 . 1 1 21 21 ILE H H 21 9.161 9.161 8.728 0.433 17823 109 1 2 . 1 1 22 22 TRP HA H 22 4.894 4.894 4.574 0.320 17823 110 1 2 . 1 1 22 22 TRP H H 22 9.220 9.220 8.961 0.259 17823 111 1 2 . 1 1 23 23 ALA HA H 23 4.857 4.857 4.514 0.343 17823 112 1 2 . 1 1 23 23 ALA H H 23 8.124 8.124 8.117 0.007 17823 113 1 2 . 1 1 24 24 THR HA H 24 4.686 4.686 4.255 0.431 17823 114 1 2 . 1 1 24 24 THR H H 24 8.577 8.577 8.371 0.206 17823 115 1 2 . 1 1 25 25 SER HA H 25 5.093 5.093 4.567 0.526 17823 116 1 2 . 1 1 25 25 SER H H 25 9.536 9.536 8.640 0.896 17823 117 1 2 . 1 1 26 26 HIS HA H 26 4.497 4.497 4.502 -0.005 17823 118 1 2 . 1 1 26 26 HIS H H 26 7.845 7.845 9.064 -1.219 17823 119 1 2 . 1 1 28 28 CYS HA H 28 5.139 5.139 4.830 0.309 17823 120 1 2 . 1 1 28 28 CYS H H 28 7.329 7.329 7.575 -0.246 17823 121 1 2 . 1 1 29 29 LYS HA H 29 4.061 4.061 4.075 -0.014 17823 122 1 2 . 1 1 29 29 LYS H H 29 9.020 9.020 8.534 0.486 17823 123 1 2 . 1 1 30 30 MET HA H 30 4.501 4.501 4.612 -0.111 17823 124 1 2 . 1 1 31 31 TYR HA H 31 5.115 5.115 4.433 0.682 17823 125 1 2 . 1 1 31 31 TYR H H 31 7.863 7.863 8.253 -0.390 17823 126 1 2 . 1 1 32 32 CYS HA H 32 4.880 4.880 4.674 0.206 17823 127 1 2 . 1 1 32 32 CYS H H 32 8.876 8.876 8.647 0.229 17823 128 1 2 . 1 1 33 33 CYS HA H 33 4.890 4.890 5.263 -0.373 17823 129 1 2 . 1 1 33 33 CYS H H 33 8.657 8.657 8.920 -0.263 17823 130 1 2 . 1 1 34 34 LEU HA H 34 4.703 4.703 4.636 0.067 17823 131 1 2 . 1 1 34 34 LEU H H 34 8.783 8.783 7.964 0.819 17823 132 1 2 . 1 1 35 35 PRO HA H 35 4.621 4.621 4.398 0.223 17823 133 1 2 . 1 1 36 36 ALA HA H 36 4.172 4.172 4.072 0.100 17823 134 1 2 . 1 1 36 36 ALA H H 36 8.623 8.623 8.406 0.217 17823 135 1 2 . 1 1 37 37 SER HA H 37 4.281 4.281 4.372 -0.091 17823 136 1 2 . 1 1 37 37 SER H H 37 7.771 7.771 7.946 -0.175 17823 137 1 2 . 1 1 38 38 TRP HA H 38 4.217 4.217 4.461 -0.244 17823 138 1 2 . 1 1 38 38 TRP H H 38 8.073 8.073 7.774 0.299 17823 139 1 2 . 1 1 39 39 LYS HA H 39 4.059 4.059 4.074 -0.015 17823 140 1 2 . 1 1 39 39 LYS H H 39 7.190 7.190 8.133 -0.943 17823 141 1 2 . 1 1 40 40 TRP HA H 40 4.202 4.202 3.764 0.438 17823 142 1 2 . 1 1 40 40 TRP H H 40 7.669 7.669 8.258 -0.589 17823 143 1 3 . 1 1 2 2 VAL HA H 2 4.431 4.431 5.222 -0.791 17823 144 1 3 . 1 1 2 2 VAL H H 2 8.658 8.658 8.138 0.520 17823 145 1 3 . 1 1 3 3 LEU HA H 3 4.592 4.592 4.829 -0.237 17823 146 1 3 . 1 1 3 3 LEU H H 3 8.823 8.823 9.139 -0.316 17823 147 1 3 . 1 1 4 4 LYS HA H 4 3.989 3.989 4.138 -0.149 17823 148 1 3 . 1 1 4 4 LYS H H 4 8.943 8.943 8.865 0.078 17823 149 1 3 . 1 1 5 5 TYR HA H 5 4.649 4.649 4.717 -0.068 17823 150 1 3 . 1 1 5 5 TYR H H 5 7.196 7.196 7.042 0.154 17823 151 1 3 . 1 1 6 6 CYS HA H 6 5.044 5.044 4.595 0.449 17823 152 1 3 . 1 1 6 6 CYS H H 6 9.152 9.152 8.892 0.260 17823 153 1 3 . 1 1 7 7 PRO HA H 7 4.524 4.524 4.460 0.064 17823 154 1 3 . 1 1 8 8 LYS HA H 8 4.143 4.143 3.892 0.251 17823 155 1 3 . 1 1 8 8 LYS H H 8 8.703 8.703 8.600 0.103 17823 156 1 3 . 1 1 9 9 ILE HA H 9 4.341 4.341 3.776 0.565 17823 157 1 3 . 1 1 9 9 ILE H H 9 7.171 7.171 7.707 -0.536 17823 158 1 3 . 1 1 10 10 GLY H H 10 8.237 8.237 7.357 0.880 17823 159 1 3 . 1 1 11 11 TYR HA H 11 4.767 4.767 4.809 -0.042 17823 160 1 3 . 1 1 11 11 TYR H H 11 7.230 7.230 7.994 -0.764 17823 161 1 3 . 1 1 12 12 CYS HA H 12 5.897 5.897 5.543 0.354 17823 162 1 3 . 1 1 12 12 CYS H H 12 8.956 8.956 8.891 0.065 17823 163 1 3 . 1 1 13 13 SER HA H 13 4.692 4.692 4.759 -0.067 17823 164 1 3 . 1 1 14 14 ASN HA H 14 4.757 4.757 4.679 0.078 17823 165 1 3 . 1 1 14 14 ASN H H 14 8.721 8.721 8.680 0.041 17823 166 1 3 . 1 1 15 15 THR HA H 15 4.111 4.111 3.743 0.368 17823 167 1 3 . 1 1 15 15 THR H H 15 7.640 7.640 7.265 0.375 17823 168 1 3 . 1 1 16 16 CYS HA H 16 4.858 4.858 4.350 0.508 17823 169 1 3 . 1 1 16 16 CYS H H 16 4.379 4.379 6.296 -1.917 17823 170 1 3 . 1 1 17 17 SER HA H 17 4.639 4.639 4.239 0.400 17823 171 1 3 . 1 1 17 17 SER H H 17 8.375 8.375 8.600 -0.225 17823 172 1 3 . 1 1 18 18 LYS HA H 18 4.406 4.406 4.221 0.185 17823 173 1 3 . 1 1 18 18 LYS H H 18 8.794 8.794 8.780 0.014 17823 174 1 3 . 1 1 19 19 THR HA H 19 4.471 4.471 4.333 0.138 17823 175 1 3 . 1 1 19 19 THR H H 19 8.057 8.057 8.093 -0.036 17823 176 1 3 . 1 1 20 20 GLN HA H 20 4.577 4.577 5.006 -0.429 17823 177 1 3 . 1 1 20 20 GLN H H 20 7.264 7.264 7.327 -0.063 17823 178 1 3 . 1 1 21 21 ILE HA H 21 4.267 4.267 4.229 0.038 17823 179 1 3 . 1 1 21 21 ILE H H 21 9.161 9.161 8.755 0.406 17823 180 1 3 . 1 1 22 22 TRP HA H 22 4.894 4.894 4.588 0.306 17823 181 1 3 . 1 1 22 22 TRP H H 22 9.220 9.220 8.942 0.278 17823 182 1 3 . 1 1 23 23 ALA HA H 23 4.857 4.857 4.320 0.537 17823 183 1 3 . 1 1 23 23 ALA H H 23 8.124 8.124 8.011 0.113 17823 184 1 3 . 1 1 24 24 THR HA H 24 4.686 4.686 4.396 0.290 17823 185 1 3 . 1 1 24 24 THR H H 24 8.577 8.577 8.392 0.185 17823 186 1 3 . 1 1 25 25 SER HA H 25 5.093 5.093 5.028 0.065 17823 187 1 3 . 1 1 25 25 SER H H 25 9.536 9.536 8.545 0.991 17823 188 1 3 . 1 1 26 26 HIS HA H 26 4.497 4.497 4.294 0.203 17823 189 1 3 . 1 1 26 26 HIS H H 26 7.845 7.845 9.133 -1.288 17823 190 1 3 . 1 1 28 28 CYS HA H 28 5.139 5.139 4.555 0.584 17823 191 1 3 . 1 1 28 28 CYS H H 28 7.329 7.329 7.152 0.176 17823 192 1 3 . 1 1 29 29 LYS HA H 29 4.061 4.061 4.033 0.028 17823 193 1 3 . 1 1 29 29 LYS H H 29 9.020 9.020 8.393 0.627 17823 194 1 3 . 1 1 30 30 MET HA H 30 4.501 4.501 4.333 0.168 17823 195 1 3 . 1 1 31 31 TYR HA H 31 5.115 5.115 4.628 0.487 17823 196 1 3 . 1 1 31 31 TYR H H 31 7.863 7.863 8.163 -0.300 17823 197 1 3 . 1 1 32 32 CYS HA H 32 4.880 4.880 4.816 0.064 17823 198 1 3 . 1 1 32 32 CYS H H 32 8.876 8.876 8.867 0.009 17823 199 1 3 . 1 1 33 33 CYS HA H 33 4.890 4.890 4.882 0.008 17823 200 1 3 . 1 1 33 33 CYS H H 33 8.657 8.657 8.725 -0.068 17823 201 1 3 . 1 1 34 34 LEU HA H 34 4.703 4.703 4.693 0.010 17823 202 1 3 . 1 1 34 34 LEU H H 34 8.783 8.783 8.017 0.766 17823 203 1 3 . 1 1 35 35 PRO HA H 35 4.621 4.621 4.624 -0.003 17823 204 1 3 . 1 1 36 36 ALA HA H 36 4.172 4.172 4.052 0.120 17823 205 1 3 . 1 1 36 36 ALA H H 36 8.623 8.623 8.117 0.506 17823 206 1 3 . 1 1 37 37 SER HA H 37 4.281 4.281 4.332 -0.051 17823 207 1 3 . 1 1 37 37 SER H H 37 7.771 7.771 8.009 -0.238 17823 208 1 3 . 1 1 38 38 TRP HA H 38 4.217 4.217 4.451 -0.234 17823 209 1 3 . 1 1 38 38 TRP H H 38 8.073 8.073 7.712 0.361 17823 210 1 3 . 1 1 39 39 LYS HA H 39 4.059 4.059 4.117 -0.058 17823 211 1 3 . 1 1 39 39 LYS H H 39 7.190 7.190 7.979 -0.789 17823 212 1 3 . 1 1 40 40 TRP HA H 40 4.202 4.202 3.633 0.569 17823 213 1 3 . 1 1 40 40 TRP H H 40 7.669 7.669 8.082 -0.413 17823 214 1 4 . 1 1 2 2 VAL HA H 2 4.431 4.431 4.681 -0.250 17823 215 1 4 . 1 1 2 2 VAL H H 2 8.658 8.658 8.061 0.597 17823 216 1 4 . 1 1 3 3 LEU HA H 3 4.592 4.592 4.919 -0.327 17823 217 1 4 . 1 1 3 3 LEU H H 3 8.823 8.823 8.896 -0.073 17823 218 1 4 . 1 1 4 4 LYS HA H 4 3.989 3.989 4.127 -0.138 17823 219 1 4 . 1 1 4 4 LYS H H 4 8.943 8.943 8.656 0.287 17823 220 1 4 . 1 1 5 5 TYR HA H 5 4.649 4.649 4.668 -0.019 17823 221 1 4 . 1 1 5 5 TYR H H 5 7.196 7.196 6.869 0.327 17823 222 1 4 . 1 1 6 6 CYS HA H 6 5.044 5.044 4.632 0.412 17823 223 1 4 . 1 1 6 6 CYS H H 6 9.152 9.152 8.715 0.437 17823 224 1 4 . 1 1 7 7 PRO HA H 7 4.524 4.524 4.506 0.018 17823 225 1 4 . 1 1 8 8 LYS HA H 8 4.143 4.143 3.908 0.235 17823 226 1 4 . 1 1 8 8 LYS H H 8 8.703 8.703 8.602 0.101 17823 227 1 4 . 1 1 9 9 ILE HA H 9 4.341 4.341 3.848 0.493 17823 228 1 4 . 1 1 9 9 ILE H H 9 7.171 7.171 7.656 -0.485 17823 229 1 4 . 1 1 10 10 GLY H H 10 8.237 8.237 7.350 0.887 17823 230 1 4 . 1 1 11 11 TYR HA H 11 4.767 4.767 4.851 -0.084 17823 231 1 4 . 1 1 11 11 TYR H H 11 7.230 7.230 7.884 -0.654 17823 232 1 4 . 1 1 12 12 CYS HA H 12 5.897 5.897 5.308 0.589 17823 233 1 4 . 1 1 12 12 CYS H H 12 8.956 8.956 8.721 0.235 17823 234 1 4 . 1 1 13 13 SER HA H 13 4.692 4.692 4.742 -0.050 17823 235 1 4 . 1 1 14 14 ASN HA H 14 4.757 4.757 4.516 0.241 17823 236 1 4 . 1 1 14 14 ASN H H 14 8.721 8.721 8.738 -0.017 17823 237 1 4 . 1 1 15 15 THR HA H 15 4.111 4.111 3.446 0.665 17823 238 1 4 . 1 1 15 15 THR H H 15 7.640 7.640 7.272 0.368 17823 239 1 4 . 1 1 16 16 CYS HA H 16 4.858 4.858 4.230 0.628 17823 240 1 4 . 1 1 16 16 CYS H H 16 4.379 4.379 5.929 -1.550 17823 241 1 4 . 1 1 17 17 SER HA H 17 4.639 4.639 4.328 0.311 17823 242 1 4 . 1 1 17 17 SER H H 17 8.375 8.375 8.403 -0.028 17823 243 1 4 . 1 1 18 18 LYS HA H 18 4.406 4.406 4.159 0.247 17823 244 1 4 . 1 1 18 18 LYS H H 18 8.794 8.794 8.793 0.001 17823 245 1 4 . 1 1 19 19 THR HA H 19 4.471 4.471 4.311 0.160 17823 246 1 4 . 1 1 19 19 THR H H 19 8.057 8.057 8.075 -0.018 17823 247 1 4 . 1 1 20 20 GLN HA H 20 4.577 4.577 4.903 -0.326 17823 248 1 4 . 1 1 20 20 GLN H H 20 7.264 7.264 7.315 -0.051 17823 249 1 4 . 1 1 21 21 ILE HA H 21 4.267 4.267 4.243 0.024 17823 250 1 4 . 1 1 21 21 ILE H H 21 9.161 9.161 8.818 0.343 17823 251 1 4 . 1 1 22 22 TRP HA H 22 4.894 4.894 4.633 0.261 17823 252 1 4 . 1 1 22 22 TRP H H 22 9.220 9.220 9.069 0.151 17823 253 1 4 . 1 1 23 23 ALA HA H 23 4.857 4.857 4.369 0.488 17823 254 1 4 . 1 1 23 23 ALA H H 23 8.124 8.124 8.217 -0.093 17823 255 1 4 . 1 1 24 24 THR HA H 24 4.686 4.686 4.391 0.295 17823 256 1 4 . 1 1 24 24 THR H H 24 8.577 8.577 8.444 0.133 17823 257 1 4 . 1 1 25 25 SER HA H 25 5.093 5.093 4.963 0.130 17823 258 1 4 . 1 1 25 25 SER H H 25 9.536 9.536 8.721 0.815 17823 259 1 4 . 1 1 26 26 HIS HA H 26 4.497 4.497 4.507 -0.010 17823 260 1 4 . 1 1 26 26 HIS H H 26 7.845 7.845 9.114 -1.269 17823 261 1 4 . 1 1 28 28 CYS HA H 28 5.139 5.139 4.855 0.284 17823 262 1 4 . 1 1 28 28 CYS H H 28 7.329 7.329 7.677 -0.348 17823 263 1 4 . 1 1 29 29 LYS HA H 29 4.061 4.061 4.038 0.023 17823 264 1 4 . 1 1 29 29 LYS H H 29 9.020 9.020 8.460 0.560 17823 265 1 4 . 1 1 30 30 MET HA H 30 4.501 4.501 4.367 0.134 17823 266 1 4 . 1 1 31 31 TYR HA H 31 5.115 5.115 4.440 0.675 17823 267 1 4 . 1 1 31 31 TYR H H 31 7.863 7.863 8.244 -0.381 17823 268 1 4 . 1 1 32 32 CYS HA H 32 4.880 4.880 4.701 0.179 17823 269 1 4 . 1 1 32 32 CYS H H 32 8.876 8.876 8.988 -0.112 17823 270 1 4 . 1 1 33 33 CYS HA H 33 4.890 4.890 5.505 -0.615 17823 271 1 4 . 1 1 33 33 CYS H H 33 8.657 8.657 8.847 -0.190 17823 272 1 4 . 1 1 34 34 LEU HA H 34 4.703 4.703 4.534 0.169 17823 273 1 4 . 1 1 34 34 LEU H H 34 8.783 8.783 8.070 0.713 17823 274 1 4 . 1 1 35 35 PRO HA H 35 4.621 4.621 4.477 0.144 17823 275 1 4 . 1 1 36 36 ALA HA H 36 4.172 4.172 4.097 0.075 17823 276 1 4 . 1 1 36 36 ALA H H 36 8.623 8.623 8.256 0.367 17823 277 1 4 . 1 1 37 37 SER HA H 37 4.281 4.281 4.360 -0.079 17823 278 1 4 . 1 1 37 37 SER H H 37 7.771 7.771 8.177 -0.406 17823 279 1 4 . 1 1 38 38 TRP HA H 38 4.217 4.217 4.424 -0.207 17823 280 1 4 . 1 1 38 38 TRP H H 38 8.073 8.073 7.845 0.228 17823 281 1 4 . 1 1 39 39 LYS HA H 39 4.059 4.059 4.185 -0.126 17823 282 1 4 . 1 1 39 39 LYS H H 39 7.190 7.190 7.990 -0.800 17823 283 1 4 . 1 1 40 40 TRP HA H 40 4.202 4.202 3.886 0.316 17823 284 1 4 . 1 1 40 40 TRP H H 40 7.669 7.669 8.460 -0.791 17823 285 1 5 . 1 1 2 2 VAL HA H 2 4.431 4.431 4.895 -0.464 17823 286 1 5 . 1 1 2 2 VAL H H 2 8.658 8.658 7.968 0.690 17823 287 1 5 . 1 1 3 3 LEU HA H 3 4.592 4.592 4.842 -0.250 17823 288 1 5 . 1 1 3 3 LEU H H 3 8.823 8.823 9.207 -0.384 17823 289 1 5 . 1 1 4 4 LYS HA H 4 3.989 3.989 4.239 -0.250 17823 290 1 5 . 1 1 4 4 LYS H H 4 8.943 8.943 8.884 0.059 17823 291 1 5 . 1 1 5 5 TYR HA H 5 4.649 4.649 4.626 0.023 17823 292 1 5 . 1 1 5 5 TYR H H 5 7.196 7.196 7.160 0.036 17823 293 1 5 . 1 1 6 6 CYS HA H 6 5.044 5.044 4.584 0.460 17823 294 1 5 . 1 1 6 6 CYS H H 6 9.152 9.152 8.779 0.373 17823 295 1 5 . 1 1 7 7 PRO HA H 7 4.524 4.524 4.570 -0.046 17823 296 1 5 . 1 1 8 8 LYS HA H 8 4.143 4.143 3.869 0.274 17823 297 1 5 . 1 1 8 8 LYS H H 8 8.703 8.703 8.566 0.137 17823 298 1 5 . 1 1 9 9 ILE HA H 9 4.341 4.341 3.726 0.615 17823 299 1 5 . 1 1 9 9 ILE H H 9 7.171 7.171 7.741 -0.570 17823 300 1 5 . 1 1 10 10 GLY H H 10 8.237 8.237 7.349 0.888 17823 301 1 5 . 1 1 11 11 TYR HA H 11 4.767 4.767 4.578 0.189 17823 302 1 5 . 1 1 11 11 TYR H H 11 7.230 7.230 8.770 -1.540 17823 303 1 5 . 1 1 12 12 CYS HA H 12 5.897 5.897 5.314 0.583 17823 304 1 5 . 1 1 12 12 CYS H H 12 8.956 8.956 8.711 0.245 17823 305 1 5 . 1 1 13 13 SER HA H 13 4.692 4.692 4.702 -0.010 17823 306 1 5 . 1 1 14 14 ASN HA H 14 4.757 4.757 4.577 0.180 17823 307 1 5 . 1 1 14 14 ASN H H 14 8.721 8.721 8.784 -0.063 17823 308 1 5 . 1 1 15 15 THR HA H 15 4.111 4.111 3.386 0.725 17823 309 1 5 . 1 1 15 15 THR H H 15 7.640 7.640 7.508 0.132 17823 310 1 5 . 1 1 16 16 CYS HA H 16 4.858 4.858 4.543 0.315 17823 311 1 5 . 1 1 16 16 CYS H H 16 4.379 4.379 6.758 -2.379 17823 312 1 5 . 1 1 17 17 SER HA H 17 4.639 4.639 4.380 0.259 17823 313 1 5 . 1 1 17 17 SER H H 17 8.375 8.375 8.423 -0.048 17823 314 1 5 . 1 1 18 18 LYS HA H 18 4.406 4.406 4.094 0.312 17823 315 1 5 . 1 1 18 18 LYS H H 18 8.794 8.794 8.839 -0.045 17823 316 1 5 . 1 1 19 19 THR HA H 19 4.471 4.471 4.103 0.368 17823 317 1 5 . 1 1 19 19 THR H H 19 8.057 8.057 7.794 0.263 17823 318 1 5 . 1 1 20 20 GLN HA H 20 4.577 4.577 4.516 0.061 17823 319 1 5 . 1 1 20 20 GLN H H 20 7.264 7.264 7.708 -0.444 17823 320 1 5 . 1 1 21 21 ILE HA H 21 4.267 4.267 4.116 0.151 17823 321 1 5 . 1 1 21 21 ILE H H 21 9.161 9.161 8.727 0.433 17823 322 1 5 . 1 1 22 22 TRP HA H 22 4.894 4.894 4.660 0.234 17823 323 1 5 . 1 1 22 22 TRP H H 22 9.220 9.220 8.786 0.434 17823 324 1 5 . 1 1 23 23 ALA HA H 23 4.857 4.857 4.503 0.354 17823 325 1 5 . 1 1 23 23 ALA H H 23 8.124 8.124 8.274 -0.150 17823 326 1 5 . 1 1 24 24 THR HA H 24 4.686 4.686 4.333 0.353 17823 327 1 5 . 1 1 24 24 THR H H 24 8.577 8.577 8.207 0.370 17823 328 1 5 . 1 1 25 25 SER HA H 25 5.093 5.093 4.961 0.132 17823 329 1 5 . 1 1 25 25 SER H H 25 9.536 9.536 8.722 0.814 17823 330 1 5 . 1 1 26 26 HIS HA H 26 4.497 4.497 4.444 0.053 17823 331 1 5 . 1 1 26 26 HIS H H 26 7.845 7.845 9.227 -1.382 17823 332 1 5 . 1 1 28 28 CYS HA H 28 5.139 5.139 4.648 0.491 17823 333 1 5 . 1 1 28 28 CYS H H 28 7.329 7.329 8.052 -0.723 17823 334 1 5 . 1 1 29 29 LYS HA H 29 4.061 4.061 3.986 0.075 17823 335 1 5 . 1 1 29 29 LYS H H 29 9.020 9.020 8.643 0.377 17823 336 1 5 . 1 1 30 30 MET HA H 30 4.501 4.501 4.416 0.085 17823 337 1 5 . 1 1 31 31 TYR HA H 31 5.115 5.115 4.504 0.611 17823 338 1 5 . 1 1 31 31 TYR H H 31 7.863 7.863 8.219 -0.356 17823 339 1 5 . 1 1 32 32 CYS HA H 32 4.880 4.880 5.204 -0.324 17823 340 1 5 . 1 1 32 32 CYS H H 32 8.876 8.876 8.384 0.492 17823 341 1 5 . 1 1 33 33 CYS HA H 33 4.890 4.890 5.385 -0.495 17823 342 1 5 . 1 1 33 33 CYS H H 33 8.657 8.657 8.600 0.057 17823 343 1 5 . 1 1 34 34 LEU HA H 34 4.703 4.703 4.831 -0.128 17823 344 1 5 . 1 1 34 34 LEU H H 34 8.783 8.783 7.987 0.796 17823 345 1 5 . 1 1 35 35 PRO HA H 35 4.621 4.621 4.342 0.279 17823 346 1 5 . 1 1 36 36 ALA HA H 36 4.172 4.172 4.066 0.106 17823 347 1 5 . 1 1 36 36 ALA H H 36 8.623 8.623 8.243 0.380 17823 348 1 5 . 1 1 37 37 SER HA H 37 4.281 4.281 4.361 -0.080 17823 349 1 5 . 1 1 37 37 SER H H 37 7.771 7.771 7.916 -0.145 17823 350 1 5 . 1 1 38 38 TRP HA H 38 4.217 4.217 4.454 -0.237 17823 351 1 5 . 1 1 38 38 TRP H H 38 8.073 8.073 7.808 0.265 17823 352 1 5 . 1 1 39 39 LYS HA H 39 4.059 4.059 4.142 -0.083 17823 353 1 5 . 1 1 39 39 LYS H H 39 7.190 7.190 7.958 -0.768 17823 354 1 5 . 1 1 40 40 TRP HA H 40 4.202 4.202 3.595 0.607 17823 355 1 5 . 1 1 40 40 TRP H H 40 7.669 7.669 8.085 -0.416 17823 356 1 6 . 1 1 2 2 VAL HA H 2 4.431 4.431 4.718 -0.287 17823 357 1 6 . 1 1 2 2 VAL H H 2 8.658 8.658 7.913 0.745 17823 358 1 6 . 1 1 3 3 LEU HA H 3 4.592 4.592 4.817 -0.225 17823 359 1 6 . 1 1 3 3 LEU H H 3 8.823 8.823 8.827 -0.004 17823 360 1 6 . 1 1 4 4 LYS HA H 4 3.989 3.989 4.183 -0.194 17823 361 1 6 . 1 1 4 4 LYS H H 4 8.943 8.943 8.580 0.363 17823 362 1 6 . 1 1 5 5 TYR HA H 5 4.649 4.649 4.681 -0.032 17823 363 1 6 . 1 1 5 5 TYR H H 5 7.196 7.196 7.053 0.143 17823 364 1 6 . 1 1 6 6 CYS HA H 6 5.044 5.044 4.537 0.507 17823 365 1 6 . 1 1 6 6 CYS H H 6 9.152 9.152 8.718 0.434 17823 366 1 6 . 1 1 7 7 PRO HA H 7 4.524 4.524 4.485 0.039 17823 367 1 6 . 1 1 8 8 LYS HA H 8 4.143 4.143 3.836 0.307 17823 368 1 6 . 1 1 8 8 LYS H H 8 8.703 8.703 8.599 0.104 17823 369 1 6 . 1 1 9 9 ILE HA H 9 4.341 4.341 3.776 0.565 17823 370 1 6 . 1 1 9 9 ILE H H 9 7.171 7.171 7.648 -0.477 17823 371 1 6 . 1 1 10 10 GLY H H 10 8.237 8.237 7.358 0.879 17823 372 1 6 . 1 1 11 11 TYR HA H 11 4.767 4.767 4.730 0.037 17823 373 1 6 . 1 1 11 11 TYR H H 11 7.230 7.230 8.377 -1.147 17823 374 1 6 . 1 1 12 12 CYS HA H 12 5.897 5.897 5.646 0.251 17823 375 1 6 . 1 1 12 12 CYS H H 12 8.956 8.956 8.769 0.187 17823 376 1 6 . 1 1 13 13 SER HA H 13 4.692 4.692 4.732 -0.040 17823 377 1 6 . 1 1 14 14 ASN HA H 14 4.757 4.757 4.496 0.261 17823 378 1 6 . 1 1 14 14 ASN H H 14 8.721 8.721 8.746 -0.025 17823 379 1 6 . 1 1 15 15 THR HA H 15 4.111 4.111 3.999 0.112 17823 380 1 6 . 1 1 15 15 THR H H 15 7.640 7.640 7.380 0.260 17823 381 1 6 . 1 1 16 16 CYS HA H 16 4.858 4.858 4.170 0.688 17823 382 1 6 . 1 1 16 16 CYS H H 16 4.379 4.379 6.808 -2.429 17823 383 1 6 . 1 1 17 17 SER HA H 17 4.639 4.639 4.252 0.387 17823 384 1 6 . 1 1 17 17 SER H H 17 8.375 8.375 8.140 0.235 17823 385 1 6 . 1 1 18 18 LYS HA H 18 4.406 4.406 4.316 0.090 17823 386 1 6 . 1 1 18 18 LYS H H 18 8.794 8.794 8.817 -0.023 17823 387 1 6 . 1 1 19 19 THR HA H 19 4.471 4.471 4.347 0.124 17823 388 1 6 . 1 1 19 19 THR H H 19 8.057 8.057 8.117 -0.060 17823 389 1 6 . 1 1 20 20 GLN HA H 20 4.577 4.577 4.713 -0.136 17823 390 1 6 . 1 1 20 20 GLN H H 20 7.264 7.264 7.814 -0.550 17823 391 1 6 . 1 1 21 21 ILE HA H 21 4.267 4.267 4.312 -0.045 17823 392 1 6 . 1 1 21 21 ILE H H 21 9.161 9.161 8.776 0.385 17823 393 1 6 . 1 1 22 22 TRP HA H 22 4.894 4.894 5.215 -0.321 17823 394 1 6 . 1 1 22 22 TRP H H 22 9.220 9.220 8.529 0.691 17823 395 1 6 . 1 1 23 23 ALA HA H 23 4.857 4.857 4.723 0.134 17823 396 1 6 . 1 1 23 23 ALA H H 23 8.124 8.124 8.792 -0.668 17823 397 1 6 . 1 1 24 24 THR HA H 24 4.686 4.686 4.351 0.335 17823 398 1 6 . 1 1 24 24 THR H H 24 8.577 8.577 8.713 -0.136 17823 399 1 6 . 1 1 25 25 SER HA H 25 5.093 5.093 4.978 0.115 17823 400 1 6 . 1 1 25 25 SER H H 25 9.536 9.536 8.660 0.876 17823 401 1 6 . 1 1 26 26 HIS HA H 26 4.497 4.497 4.132 0.365 17823 402 1 6 . 1 1 26 26 HIS H H 26 7.845 7.845 9.147 -1.302 17823 403 1 6 . 1 1 28 28 CYS HA H 28 5.139 5.139 4.665 0.474 17823 404 1 6 . 1 1 28 28 CYS H H 28 7.329 7.329 7.694 -0.365 17823 405 1 6 . 1 1 29 29 LYS HA H 29 4.061 4.061 4.028 0.033 17823 406 1 6 . 1 1 29 29 LYS H H 29 9.020 9.020 8.430 0.590 17823 407 1 6 . 1 1 30 30 MET HA H 30 4.501 4.501 4.380 0.121 17823 408 1 6 . 1 1 31 31 TYR HA H 31 5.115 5.115 4.756 0.359 17823 409 1 6 . 1 1 31 31 TYR H H 31 7.863 7.863 8.213 -0.350 17823 410 1 6 . 1 1 32 32 CYS HA H 32 4.880 4.880 4.851 0.029 17823 411 1 6 . 1 1 32 32 CYS H H 32 8.876 8.876 8.994 -0.118 17823 412 1 6 . 1 1 33 33 CYS HA H 33 4.890 4.890 5.335 -0.446 17823 413 1 6 . 1 1 33 33 CYS H H 33 8.657 8.657 8.938 -0.281 17823 414 1 6 . 1 1 34 34 LEU HA H 34 4.703 4.703 4.681 0.022 17823 415 1 6 . 1 1 34 34 LEU H H 34 8.783 8.783 8.320 0.463 17823 416 1 6 . 1 1 35 35 PRO HA H 35 4.621 4.621 4.424 0.197 17823 417 1 6 . 1 1 36 36 ALA HA H 36 4.172 4.172 4.118 0.054 17823 418 1 6 . 1 1 36 36 ALA H H 36 8.623 8.623 8.422 0.201 17823 419 1 6 . 1 1 37 37 SER HA H 37 4.281 4.281 4.355 -0.074 17823 420 1 6 . 1 1 37 37 SER H H 37 7.771 7.771 8.230 -0.459 17823 421 1 6 . 1 1 38 38 TRP HA H 38 4.217 4.217 4.455 -0.238 17823 422 1 6 . 1 1 38 38 TRP H H 38 8.073 8.073 7.863 0.210 17823 423 1 6 . 1 1 39 39 LYS HA H 39 4.059 4.059 4.157 -0.098 17823 424 1 6 . 1 1 39 39 LYS H H 39 7.190 7.190 8.082 -0.892 17823 425 1 6 . 1 1 40 40 TRP HA H 40 4.202 4.202 3.528 0.674 17823 426 1 6 . 1 1 40 40 TRP H H 40 7.669 7.669 7.601 0.068 17823 427 1 7 . 1 1 2 2 VAL HA H 2 4.431 4.431 5.246 -0.815 17823 428 1 7 . 1 1 2 2 VAL H H 2 8.658 8.658 8.475 0.183 17823 429 1 7 . 1 1 3 3 LEU HA H 3 4.592 4.592 4.896 -0.304 17823 430 1 7 . 1 1 3 3 LEU H H 3 8.823 8.823 8.862 -0.039 17823 431 1 7 . 1 1 4 4 LYS HA H 4 3.989 3.989 4.183 -0.194 17823 432 1 7 . 1 1 4 4 LYS H H 4 8.943 8.943 8.946 -0.003 17823 433 1 7 . 1 1 5 5 TYR HA H 5 4.649 4.649 4.756 -0.107 17823 434 1 7 . 1 1 5 5 TYR H H 5 7.196 7.196 7.177 0.019 17823 435 1 7 . 1 1 6 6 CYS HA H 6 5.044 5.044 4.605 0.439 17823 436 1 7 . 1 1 6 6 CYS H H 6 9.152 9.152 8.666 0.486 17823 437 1 7 . 1 1 7 7 PRO HA H 7 4.524 4.524 4.664 -0.140 17823 438 1 7 . 1 1 8 8 LYS HA H 8 4.143 4.143 4.027 0.116 17823 439 1 7 . 1 1 8 8 LYS H H 8 8.703 8.703 8.738 -0.035 17823 440 1 7 . 1 1 9 9 ILE HA H 9 4.341 4.341 3.990 0.351 17823 441 1 7 . 1 1 9 9 ILE H H 9 7.171 7.171 7.719 -0.548 17823 442 1 7 . 1 1 10 10 GLY H H 10 8.237 8.237 7.670 0.567 17823 443 1 7 . 1 1 11 11 TYR HA H 11 4.767 4.767 4.807 -0.040 17823 444 1 7 . 1 1 11 11 TYR H H 11 7.230 7.230 7.597 -0.367 17823 445 1 7 . 1 1 12 12 CYS HA H 12 5.897 5.897 5.364 0.533 17823 446 1 7 . 1 1 12 12 CYS H H 12 8.956 8.956 8.721 0.235 17823 447 1 7 . 1 1 13 13 SER HA H 13 4.692 4.692 4.791 -0.099 17823 448 1 7 . 1 1 14 14 ASN HA H 14 4.757 4.757 4.486 0.271 17823 449 1 7 . 1 1 14 14 ASN H H 14 8.721 8.721 8.757 -0.036 17823 450 1 7 . 1 1 15 15 THR HA H 15 4.111 4.111 3.587 0.524 17823 451 1 7 . 1 1 15 15 THR H H 15 7.640 7.640 7.324 0.316 17823 452 1 7 . 1 1 16 16 CYS HA H 16 4.858 4.858 4.356 0.502 17823 453 1 7 . 1 1 16 16 CYS H H 16 4.379 4.379 6.434 -2.055 17823 454 1 7 . 1 1 17 17 SER HA H 17 4.639 4.639 4.381 0.258 17823 455 1 7 . 1 1 17 17 SER H H 17 8.375 8.375 8.650 -0.275 17823 456 1 7 . 1 1 18 18 LYS HA H 18 4.406 4.406 4.207 0.199 17823 457 1 7 . 1 1 18 18 LYS H H 18 8.794 8.794 8.865 -0.071 17823 458 1 7 . 1 1 19 19 THR HA H 19 4.471 4.471 4.090 0.381 17823 459 1 7 . 1 1 19 19 THR H H 19 8.057 8.057 7.994 0.063 17823 460 1 7 . 1 1 20 20 GLN HA H 20 4.577 4.577 4.897 -0.320 17823 461 1 7 . 1 1 20 20 GLN H H 20 7.264 7.264 7.752 -0.488 17823 462 1 7 . 1 1 21 21 ILE HA H 21 4.267 4.267 4.147 0.120 17823 463 1 7 . 1 1 21 21 ILE H H 21 9.161 9.161 8.793 0.368 17823 464 1 7 . 1 1 22 22 TRP HA H 22 4.894 4.894 4.565 0.329 17823 465 1 7 . 1 1 22 22 TRP H H 22 9.220 9.220 8.864 0.356 17823 466 1 7 . 1 1 23 23 ALA HA H 23 4.857 4.857 4.233 0.624 17823 467 1 7 . 1 1 23 23 ALA H H 23 8.124 8.124 8.207 -0.083 17823 468 1 7 . 1 1 24 24 THR HA H 24 4.686 4.686 4.381 0.305 17823 469 1 7 . 1 1 24 24 THR H H 24 8.577 8.577 8.187 0.390 17823 470 1 7 . 1 1 25 25 SER HA H 25 5.093 5.093 5.085 0.008 17823 471 1 7 . 1 1 25 25 SER H H 25 9.536 9.536 8.364 1.172 17823 472 1 7 . 1 1 26 26 HIS HA H 26 4.497 4.497 4.231 0.266 17823 473 1 7 . 1 1 26 26 HIS H H 26 7.845 7.845 9.157 -1.312 17823 474 1 7 . 1 1 28 28 CYS HA H 28 5.139 5.139 4.558 0.581 17823 475 1 7 . 1 1 28 28 CYS H H 28 7.329 7.329 7.639 -0.310 17823 476 1 7 . 1 1 29 29 LYS HA H 29 4.061 4.061 4.088 -0.027 17823 477 1 7 . 1 1 29 29 LYS H H 29 9.020 9.020 8.568 0.452 17823 478 1 7 . 1 1 30 30 MET HA H 30 4.501 4.501 4.353 0.148 17823 479 1 7 . 1 1 31 31 TYR HA H 31 5.115 5.115 4.540 0.575 17823 480 1 7 . 1 1 31 31 TYR H H 31 7.863 7.863 7.957 -0.094 17823 481 1 7 . 1 1 32 32 CYS HA H 32 4.880 4.880 4.789 0.091 17823 482 1 7 . 1 1 32 32 CYS H H 32 8.876 8.876 8.446 0.430 17823 483 1 7 . 1 1 33 33 CYS HA H 33 4.890 4.890 4.698 0.192 17823 484 1 7 . 1 1 33 33 CYS H H 33 8.657 8.657 8.588 0.069 17823 485 1 7 . 1 1 34 34 LEU HA H 34 4.703 4.703 4.538 0.165 17823 486 1 7 . 1 1 34 34 LEU H H 34 8.783 8.783 7.888 0.895 17823 487 1 7 . 1 1 35 35 PRO HA H 35 4.621 4.621 4.297 0.324 17823 488 1 7 . 1 1 36 36 ALA HA H 36 4.172 4.172 4.068 0.104 17823 489 1 7 . 1 1 36 36 ALA H H 36 8.623 8.623 8.625 -0.002 17823 490 1 7 . 1 1 37 37 SER HA H 37 4.281 4.281 4.357 -0.076 17823 491 1 7 . 1 1 37 37 SER H H 37 7.771 7.771 8.037 -0.266 17823 492 1 7 . 1 1 38 38 TRP HA H 38 4.217 4.217 4.408 -0.191 17823 493 1 7 . 1 1 38 38 TRP H H 38 8.073 8.073 7.873 0.200 17823 494 1 7 . 1 1 39 39 LYS HA H 39 4.059 4.059 4.082 -0.023 17823 495 1 7 . 1 1 39 39 LYS H H 39 7.190 7.190 8.002 -0.812 17823 496 1 7 . 1 1 40 40 TRP HA H 40 4.202 4.202 3.313 0.889 17823 497 1 7 . 1 1 40 40 TRP H H 40 7.669 7.669 7.917 -0.248 17823 498 1 8 . 1 1 2 2 VAL HA H 2 4.431 4.431 4.648 -0.217 17823 499 1 8 . 1 1 2 2 VAL H H 2 8.658 8.658 7.881 0.777 17823 500 1 8 . 1 1 3 3 LEU HA H 3 4.592 4.592 4.749 -0.157 17823 501 1 8 . 1 1 3 3 LEU H H 3 8.823 8.823 9.215 -0.392 17823 502 1 8 . 1 1 4 4 LYS HA H 4 3.989 3.989 3.967 0.022 17823 503 1 8 . 1 1 4 4 LYS H H 4 8.943 8.943 8.755 0.188 17823 504 1 8 . 1 1 5 5 TYR HA H 5 4.649 4.649 4.651 -0.002 17823 505 1 8 . 1 1 5 5 TYR H H 5 7.196 7.196 6.987 0.209 17823 506 1 8 . 1 1 6 6 CYS HA H 6 5.044 5.044 4.559 0.485 17823 507 1 8 . 1 1 6 6 CYS H H 6 9.152 9.152 8.744 0.408 17823 508 1 8 . 1 1 7 7 PRO HA H 7 4.524 4.524 4.541 -0.017 17823 509 1 8 . 1 1 8 8 LYS HA H 8 4.143 4.143 3.886 0.257 17823 510 1 8 . 1 1 8 8 LYS H H 8 8.703 8.703 8.677 0.026 17823 511 1 8 . 1 1 9 9 ILE HA H 9 4.341 4.341 3.847 0.494 17823 512 1 8 . 1 1 9 9 ILE H H 9 7.171 7.171 7.765 -0.594 17823 513 1 8 . 1 1 10 10 GLY H H 10 8.237 8.237 7.549 0.688 17823 514 1 8 . 1 1 11 11 TYR HA H 11 4.767 4.767 4.687 0.080 17823 515 1 8 . 1 1 11 11 TYR H H 11 7.230 7.230 8.037 -0.807 17823 516 1 8 . 1 1 12 12 CYS HA H 12 5.897 5.897 5.574 0.323 17823 517 1 8 . 1 1 12 12 CYS H H 12 8.956 8.956 8.703 0.253 17823 518 1 8 . 1 1 13 13 SER HA H 13 4.692 4.692 4.731 -0.039 17823 519 1 8 . 1 1 14 14 ASN HA H 14 4.757 4.757 4.675 0.082 17823 520 1 8 . 1 1 14 14 ASN H H 14 8.721 8.721 8.847 -0.126 17823 521 1 8 . 1 1 15 15 THR HA H 15 4.111 4.111 3.352 0.759 17823 522 1 8 . 1 1 15 15 THR H H 15 7.640 7.640 7.498 0.142 17823 523 1 8 . 1 1 16 16 CYS HA H 16 4.858 4.858 4.479 0.379 17823 524 1 8 . 1 1 16 16 CYS H H 16 4.379 4.379 7.490 -3.111 17823 525 1 8 . 1 1 17 17 SER HA H 17 4.639 4.639 4.347 0.292 17823 526 1 8 . 1 1 17 17 SER H H 17 8.375 8.375 8.845 -0.470 17823 527 1 8 . 1 1 18 18 LYS HA H 18 4.406 4.406 4.043 0.363 17823 528 1 8 . 1 1 18 18 LYS H H 18 8.794 8.794 8.813 -0.019 17823 529 1 8 . 1 1 19 19 THR HA H 19 4.471 4.471 4.016 0.455 17823 530 1 8 . 1 1 19 19 THR H H 19 8.057 8.057 7.872 0.185 17823 531 1 8 . 1 1 20 20 GLN HA H 20 4.577 4.577 4.622 -0.045 17823 532 1 8 . 1 1 20 20 GLN H H 20 7.264 7.264 7.698 -0.434 17823 533 1 8 . 1 1 21 21 ILE HA H 21 4.267 4.267 4.142 0.125 17823 534 1 8 . 1 1 21 21 ILE H H 21 9.161 9.161 8.637 0.524 17823 535 1 8 . 1 1 22 22 TRP HA H 22 4.894 4.894 4.541 0.353 17823 536 1 8 . 1 1 22 22 TRP H H 22 9.220 9.220 8.850 0.370 17823 537 1 8 . 1 1 23 23 ALA HA H 23 4.857 4.857 4.200 0.657 17823 538 1 8 . 1 1 23 23 ALA H H 23 8.124 8.124 7.914 0.210 17823 539 1 8 . 1 1 24 24 THR HA H 24 4.686 4.686 4.318 0.368 17823 540 1 8 . 1 1 24 24 THR H H 24 8.577 8.577 8.158 0.419 17823 541 1 8 . 1 1 25 25 SER HA H 25 5.093 5.093 5.078 0.015 17823 542 1 8 . 1 1 25 25 SER H H 25 9.536 9.536 8.610 0.926 17823 543 1 8 . 1 1 26 26 HIS HA H 26 4.497 4.497 4.311 0.186 17823 544 1 8 . 1 1 26 26 HIS H H 26 7.845 7.845 8.703 -0.858 17823 545 1 8 . 1 1 28 28 CYS HA H 28 5.139 5.139 4.607 0.532 17823 546 1 8 . 1 1 28 28 CYS H H 28 7.329 7.329 7.635 -0.306 17823 547 1 8 . 1 1 29 29 LYS HA H 29 4.061 4.061 4.015 0.046 17823 548 1 8 . 1 1 29 29 LYS H H 29 9.020 9.020 8.647 0.373 17823 549 1 8 . 1 1 30 30 MET HA H 30 4.501 4.501 4.618 -0.117 17823 550 1 8 . 1 1 31 31 TYR HA H 31 5.115 5.115 4.506 0.609 17823 551 1 8 . 1 1 31 31 TYR H H 31 7.863 7.863 8.044 -0.181 17823 552 1 8 . 1 1 32 32 CYS HA H 32 4.880 4.880 5.167 -0.287 17823 553 1 8 . 1 1 32 32 CYS H H 32 8.876 8.876 8.919 -0.043 17823 554 1 8 . 1 1 33 33 CYS HA H 33 4.890 4.890 5.369 -0.479 17823 555 1 8 . 1 1 33 33 CYS H H 33 8.657 8.657 9.150 -0.493 17823 556 1 8 . 1 1 34 34 LEU HA H 34 4.703 4.703 4.686 0.017 17823 557 1 8 . 1 1 34 34 LEU H H 34 8.783 8.783 7.882 0.901 17823 558 1 8 . 1 1 35 35 PRO HA H 35 4.621 4.621 4.275 0.346 17823 559 1 8 . 1 1 36 36 ALA HA H 36 4.172 4.172 4.204 -0.032 17823 560 1 8 . 1 1 36 36 ALA H H 36 8.623 8.623 8.596 0.027 17823 561 1 8 . 1 1 37 37 SER HA H 37 4.281 4.281 4.367 -0.086 17823 562 1 8 . 1 1 37 37 SER H H 37 7.771 7.771 8.013 -0.242 17823 563 1 8 . 1 1 38 38 TRP HA H 38 4.217 4.217 4.430 -0.213 17823 564 1 8 . 1 1 38 38 TRP H H 38 8.073 8.073 7.845 0.228 17823 565 1 8 . 1 1 39 39 LYS HA H 39 4.059 4.059 4.263 -0.204 17823 566 1 8 . 1 1 39 39 LYS H H 39 7.190 7.190 7.946 -0.756 17823 567 1 8 . 1 1 40 40 TRP HA H 40 4.202 4.202 3.690 0.512 17823 568 1 8 . 1 1 40 40 TRP H H 40 7.669 7.669 8.169 -0.500 17823 569 1 9 . 1 1 2 2 VAL HA H 2 4.431 4.431 5.160 -0.729 17823 570 1 9 . 1 1 2 2 VAL H H 2 8.658 8.658 8.420 0.238 17823 571 1 9 . 1 1 3 3 LEU HA H 3 4.592 4.592 4.799 -0.207 17823 572 1 9 . 1 1 3 3 LEU H H 3 8.823 8.823 9.032 -0.209 17823 573 1 9 . 1 1 4 4 LYS HA H 4 3.989 3.989 3.997 -0.008 17823 574 1 9 . 1 1 4 4 LYS H H 4 8.943 8.943 8.883 0.060 17823 575 1 9 . 1 1 5 5 TYR HA H 5 4.649 4.649 4.654 -0.005 17823 576 1 9 . 1 1 5 5 TYR H H 5 7.196 7.196 7.164 0.032 17823 577 1 9 . 1 1 6 6 CYS HA H 6 5.044 5.044 4.620 0.424 17823 578 1 9 . 1 1 6 6 CYS H H 6 9.152 9.152 8.831 0.321 17823 579 1 9 . 1 1 7 7 PRO HA H 7 4.524 4.524 4.461 0.063 17823 580 1 9 . 1 1 8 8 LYS HA H 8 4.143 4.143 3.861 0.282 17823 581 1 9 . 1 1 8 8 LYS H H 8 8.703 8.703 8.720 -0.017 17823 582 1 9 . 1 1 9 9 ILE HA H 9 4.341 4.341 3.756 0.585 17823 583 1 9 . 1 1 9 9 ILE H H 9 7.171 7.171 7.627 -0.456 17823 584 1 9 . 1 1 10 10 GLY H H 10 8.237 8.237 7.469 0.768 17823 585 1 9 . 1 1 11 11 TYR HA H 11 4.767 4.767 4.696 0.071 17823 586 1 9 . 1 1 11 11 TYR H H 11 7.230 7.230 7.954 -0.724 17823 587 1 9 . 1 1 12 12 CYS HA H 12 5.897 5.897 5.504 0.393 17823 588 1 9 . 1 1 12 12 CYS H H 12 8.956 8.956 8.731 0.225 17823 589 1 9 . 1 1 13 13 SER HA H 13 4.692 4.692 4.684 0.008 17823 590 1 9 . 1 1 14 14 ASN HA H 14 4.757 4.757 4.704 0.053 17823 591 1 9 . 1 1 14 14 ASN H H 14 8.721 8.721 8.899 -0.178 17823 592 1 9 . 1 1 15 15 THR HA H 15 4.111 4.111 3.547 0.564 17823 593 1 9 . 1 1 15 15 THR H H 15 7.640 7.640 7.356 0.284 17823 594 1 9 . 1 1 16 16 CYS HA H 16 4.858 4.858 4.284 0.574 17823 595 1 9 . 1 1 16 16 CYS H H 16 4.379 4.379 6.235 -1.856 17823 596 1 9 . 1 1 17 17 SER HA H 17 4.639 4.639 4.310 0.329 17823 597 1 9 . 1 1 17 17 SER H H 17 8.375 8.375 8.832 -0.457 17823 598 1 9 . 1 1 18 18 LYS HA H 18 4.406 4.406 4.170 0.236 17823 599 1 9 . 1 1 18 18 LYS H H 18 8.794 8.794 8.730 0.063 17823 600 1 9 . 1 1 19 19 THR HA H 19 4.471 4.471 4.355 0.116 17823 601 1 9 . 1 1 19 19 THR H H 19 8.057 8.057 8.239 -0.182 17823 602 1 9 . 1 1 20 20 GLN HA H 20 4.577 4.577 5.145 -0.568 17823 603 1 9 . 1 1 20 20 GLN H H 20 7.264 7.264 7.868 -0.604 17823 604 1 9 . 1 1 21 21 ILE HA H 21 4.267 4.267 4.267 -0.000 17823 605 1 9 . 1 1 21 21 ILE H H 21 9.161 9.161 8.563 0.598 17823 606 1 9 . 1 1 22 22 TRP HA H 22 4.894 4.894 4.564 0.330 17823 607 1 9 . 1 1 22 22 TRP H H 22 9.220 9.220 9.018 0.202 17823 608 1 9 . 1 1 23 23 ALA HA H 23 4.857 4.857 4.421 0.436 17823 609 1 9 . 1 1 23 23 ALA H H 23 8.124 8.124 7.963 0.161 17823 610 1 9 . 1 1 24 24 THR HA H 24 4.686 4.686 4.477 0.209 17823 611 1 9 . 1 1 24 24 THR H H 24 8.577 8.577 8.105 0.472 17823 612 1 9 . 1 1 25 25 SER HA H 25 5.093 5.093 4.916 0.177 17823 613 1 9 . 1 1 25 25 SER H H 25 9.536 9.536 8.766 0.770 17823 614 1 9 . 1 1 26 26 HIS HA H 26 4.497 4.497 4.545 -0.048 17823 615 1 9 . 1 1 26 26 HIS H H 26 7.845 7.845 9.046 -1.201 17823 616 1 9 . 1 1 28 28 CYS HA H 28 5.139 5.139 4.638 0.501 17823 617 1 9 . 1 1 28 28 CYS H H 28 7.329 7.329 7.815 -0.486 17823 618 1 9 . 1 1 29 29 LYS HA H 29 4.061 4.061 3.976 0.085 17823 619 1 9 . 1 1 29 29 LYS H H 29 9.020 9.020 8.688 0.332 17823 620 1 9 . 1 1 30 30 MET HA H 30 4.501 4.501 4.544 -0.043 17823 621 1 9 . 1 1 31 31 TYR HA H 31 5.115 5.115 4.482 0.633 17823 622 1 9 . 1 1 31 31 TYR H H 31 7.863 7.863 8.201 -0.338 17823 623 1 9 . 1 1 32 32 CYS HA H 32 4.880 4.880 4.976 -0.096 17823 624 1 9 . 1 1 32 32 CYS H H 32 8.876 8.876 8.699 0.177 17823 625 1 9 . 1 1 33 33 CYS HA H 33 4.890 4.890 4.921 -0.031 17823 626 1 9 . 1 1 33 33 CYS H H 33 8.657 8.657 9.031 -0.374 17823 627 1 9 . 1 1 34 34 LEU HA H 34 4.703 4.703 4.671 0.032 17823 628 1 9 . 1 1 34 34 LEU H H 34 8.783 8.783 8.071 0.712 17823 629 1 9 . 1 1 35 35 PRO HA H 35 4.621 4.621 4.446 0.175 17823 630 1 9 . 1 1 36 36 ALA HA H 36 4.172 4.172 4.063 0.109 17823 631 1 9 . 1 1 36 36 ALA H H 36 8.623 8.623 8.328 0.295 17823 632 1 9 . 1 1 37 37 SER HA H 37 4.281 4.281 4.349 -0.068 17823 633 1 9 . 1 1 37 37 SER H H 37 7.771 7.771 7.919 -0.148 17823 634 1 9 . 1 1 38 38 TRP HA H 38 4.217 4.217 4.442 -0.225 17823 635 1 9 . 1 1 38 38 TRP H H 38 8.073 8.073 7.822 0.251 17823 636 1 9 . 1 1 39 39 LYS HA H 39 4.059 4.059 4.159 -0.100 17823 637 1 9 . 1 1 39 39 LYS H H 39 7.190 7.190 7.641 -0.451 17823 638 1 9 . 1 1 40 40 TRP HA H 40 4.202 4.202 3.802 0.400 17823 639 1 9 . 1 1 40 40 TRP H H 40 7.669 7.669 8.214 -0.545 17823 640 1 10 . 1 1 2 2 VAL HA H 2 4.431 4.431 4.516 -0.085 17823 641 1 10 . 1 1 2 2 VAL H H 2 8.658 8.658 8.530 0.128 17823 642 1 10 . 1 1 3 3 LEU HA H 3 4.592 4.592 4.761 -0.169 17823 643 1 10 . 1 1 3 3 LEU H H 3 8.823 8.823 9.029 -0.206 17823 644 1 10 . 1 1 4 4 LYS HA H 4 3.989 3.989 4.398 -0.409 17823 645 1 10 . 1 1 4 4 LYS H H 4 8.943 8.943 8.792 0.151 17823 646 1 10 . 1 1 5 5 TYR HA H 5 4.649 4.649 4.599 0.050 17823 647 1 10 . 1 1 5 5 TYR H H 5 7.196 7.196 7.057 0.139 17823 648 1 10 . 1 1 6 6 CYS HA H 6 5.044 5.044 4.534 0.510 17823 649 1 10 . 1 1 6 6 CYS H H 6 9.152 9.152 8.789 0.363 17823 650 1 10 . 1 1 7 7 PRO HA H 7 4.524 4.524 4.550 -0.026 17823 651 1 10 . 1 1 8 8 LYS HA H 8 4.143 4.143 4.029 0.114 17823 652 1 10 . 1 1 8 8 LYS H H 8 8.703 8.703 8.556 0.147 17823 653 1 10 . 1 1 9 9 ILE HA H 9 4.341 4.341 4.023 0.318 17823 654 1 10 . 1 1 9 9 ILE H H 9 7.171 7.171 7.952 -0.781 17823 655 1 10 . 1 1 10 10 GLY H H 10 8.237 8.237 7.591 0.646 17823 656 1 10 . 1 1 11 11 TYR HA H 11 4.767 4.767 4.910 -0.143 17823 657 1 10 . 1 1 11 11 TYR H H 11 7.230 7.230 7.679 -0.449 17823 658 1 10 . 1 1 12 12 CYS HA H 12 5.897 5.897 4.627 1.270 17823 659 1 10 . 1 1 12 12 CYS H H 12 8.956 8.956 8.884 0.072 17823 660 1 10 . 1 1 13 13 SER HA H 13 4.692 4.692 4.656 0.036 17823 661 1 10 . 1 1 14 14 ASN HA H 14 4.757 4.757 4.675 0.082 17823 662 1 10 . 1 1 14 14 ASN H H 14 8.721 8.721 8.759 -0.038 17823 663 1 10 . 1 1 15 15 THR HA H 15 4.111 4.111 3.718 0.393 17823 664 1 10 . 1 1 15 15 THR H H 15 7.640 7.640 7.541 0.099 17823 665 1 10 . 1 1 16 16 CYS HA H 16 4.858 4.858 4.302 0.556 17823 666 1 10 . 1 1 16 16 CYS H H 16 4.379 4.379 6.432 -2.053 17823 667 1 10 . 1 1 17 17 SER HA H 17 4.639 4.639 4.293 0.346 17823 668 1 10 . 1 1 17 17 SER H H 17 8.375 8.375 8.518 -0.143 17823 669 1 10 . 1 1 18 18 LYS HA H 18 4.406 4.406 4.242 0.164 17823 670 1 10 . 1 1 18 18 LYS H H 18 8.794 8.794 8.767 0.027 17823 671 1 10 . 1 1 19 19 THR HA H 19 4.471 4.471 4.316 0.155 17823 672 1 10 . 1 1 19 19 THR H H 19 8.057 8.057 7.944 0.113 17823 673 1 10 . 1 1 20 20 GLN HA H 20 4.577 4.577 4.983 -0.406 17823 674 1 10 . 1 1 20 20 GLN H H 20 7.264 7.264 7.712 -0.448 17823 675 1 10 . 1 1 21 21 ILE HA H 21 4.267 4.267 4.200 0.067 17823 676 1 10 . 1 1 21 21 ILE H H 21 9.161 9.161 8.822 0.339 17823 677 1 10 . 1 1 22 22 TRP HA H 22 4.894 4.894 4.584 0.310 17823 678 1 10 . 1 1 22 22 TRP H H 22 9.220 9.220 9.038 0.182 17823 679 1 10 . 1 1 23 23 ALA HA H 23 4.857 4.857 4.198 0.659 17823 680 1 10 . 1 1 23 23 ALA H H 23 8.124 8.124 8.020 0.104 17823 681 1 10 . 1 1 24 24 THR HA H 24 4.686 4.686 4.172 0.514 17823 682 1 10 . 1 1 24 24 THR H H 24 8.577 8.577 8.321 0.256 17823 683 1 10 . 1 1 25 25 SER HA H 25 5.093 5.093 5.005 0.088 17823 684 1 10 . 1 1 25 25 SER H H 25 9.536 9.536 8.637 0.899 17823 685 1 10 . 1 1 26 26 HIS HA H 26 4.497 4.497 4.320 0.177 17823 686 1 10 . 1 1 26 26 HIS H H 26 7.845 7.845 9.089 -1.244 17823 687 1 10 . 1 1 28 28 CYS HA H 28 5.139 5.139 4.686 0.453 17823 688 1 10 . 1 1 28 28 CYS H H 28 7.329 7.329 7.398 -0.069 17823 689 1 10 . 1 1 29 29 LYS HA H 29 4.061 4.061 4.308 -0.247 17823 690 1 10 . 1 1 29 29 LYS H H 29 9.020 9.020 8.474 0.546 17823 691 1 10 . 1 1 30 30 MET HA H 30 4.501 4.501 3.982 0.519 17823 692 1 10 . 1 1 31 31 TYR HA H 31 5.115 5.115 4.469 0.646 17823 693 1 10 . 1 1 31 31 TYR H H 31 7.863 7.863 7.514 0.349 17823 694 1 10 . 1 1 32 32 CYS HA H 32 4.880 4.880 4.679 0.201 17823 695 1 10 . 1 1 32 32 CYS H H 32 8.876 8.876 8.716 0.160 17823 696 1 10 . 1 1 33 33 CYS HA H 33 4.890 4.890 4.346 0.544 17823 697 1 10 . 1 1 33 33 CYS H H 33 8.657 8.657 8.349 0.308 17823 698 1 10 . 1 1 34 34 LEU HA H 34 4.703 4.703 4.482 0.221 17823 699 1 10 . 1 1 34 34 LEU H H 34 8.783 8.783 7.859 0.924 17823 700 1 10 . 1 1 35 35 PRO HA H 35 4.621 4.621 4.494 0.127 17823 701 1 10 . 1 1 36 36 ALA HA H 36 4.172 4.172 4.024 0.148 17823 702 1 10 . 1 1 36 36 ALA H H 36 8.623 8.623 8.409 0.214 17823 703 1 10 . 1 1 37 37 SER HA H 37 4.281 4.281 4.277 0.004 17823 704 1 10 . 1 1 37 37 SER H H 37 7.771 7.771 8.054 -0.283 17823 705 1 10 . 1 1 38 38 TRP HA H 38 4.217 4.217 4.435 -0.218 17823 706 1 10 . 1 1 38 38 TRP H H 38 8.073 8.073 7.879 0.194 17823 707 1 10 . 1 1 39 39 LYS HA H 39 4.059 4.059 4.140 -0.081 17823 708 1 10 . 1 1 39 39 LYS H H 39 7.190 7.190 7.984 -0.794 17823 709 1 10 . 1 1 40 40 TRP HA H 40 4.202 4.202 3.449 0.753 17823 710 1 10 . 1 1 40 40 TRP H H 40 7.669 7.669 8.052 -0.383 17823 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 17823 2 1 1 "Average Difference" HA 41 0.360 -0.159 0.327 17823 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17823 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17823 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17823 6 1 1 "Average Difference" HN 34 0.645 0.060 0.652 17823 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17823 8 1 2 "Average Difference" HA 41 0.366 -0.132 0.346 17823 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17823 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17823 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17823 12 1 2 "Average Difference" HN 34 0.596 0.014 0.605 17823 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17823 14 1 3 "Average Difference" HA 41 0.339 -0.119 0.321 17823 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17823 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17823 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17823 18 1 3 "Average Difference" HN 34 0.576 0.001 0.585 17823 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17823 20 1 4 "Average Difference" HA 41 0.355 -0.135 0.333 17823 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17823 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17823 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17823 24 1 4 "Average Difference" HN 34 0.542 0.021 0.550 17823 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17823 26 1 5 "Average Difference" HA 41 0.355 -0.152 0.325 17823 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17823 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17823 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17823 30 1 5 "Average Difference" HN 34 0.687 0.064 0.695 17823 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17823 32 1 6 "Average Difference" HA 41 0.329 -0.122 0.310 17823 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17823 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17823 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17823 36 1 6 "Average Difference" HN 34 0.667 0.072 0.674 17823 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17823 38 1 7 "Average Difference" HA 41 0.371 -0.149 0.344 17823 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17823 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17823 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17823 42 1 7 "Average Difference" HN 34 0.578 0.025 0.587 17823 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17823 44 1 8 "Average Difference" HA 41 0.349 -0.151 0.319 17823 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17823 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17823 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17823 48 1 8 "Average Difference" HN 34 0.711 0.073 0.718 17823 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17823 50 1 9 "Average Difference" HA 41 0.348 -0.124 0.329 17823 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17823 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17823 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17823 54 1 9 "Average Difference" HN 34 0.549 0.067 0.553 17823 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17823 56 1 10 "Average Difference" HA 41 0.409 -0.191 0.366 17823 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17823 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17823 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17823 60 1 10 "Average Difference" HN 34 0.565 0.016 0.574 17823 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 17823 _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 VAL HA H 2 4.431 4.431 4.903 -0.472 17823 2 1 . 1 1 2 2 VAL H H 2 8.658 8.658 8.139 0.519 17823 3 1 . 1 1 3 3 LEU HA H 3 4.592 4.592 4.834 -0.242 17823 4 1 . 1 1 3 3 LEU H H 3 8.823 8.823 9.007 -0.184 17823 5 1 . 1 1 4 4 LYS HA H 4 3.989 3.989 4.184 -0.195 17823 6 1 . 1 1 4 4 LYS H H 4 8.943 8.943 8.789 0.154 17823 7 1 . 1 1 5 5 TYR HA H 5 4.649 4.649 4.663 -0.014 17823 8 1 . 1 1 5 5 TYR H H 5 7.196 7.196 7.073 0.123 17823 9 1 . 1 1 6 6 CYS HA H 6 5.044 5.044 4.567 0.477 17823 10 1 . 1 1 6 6 CYS H H 6 9.152 9.152 8.749 0.403 17823 11 1 . 1 1 7 7 PRO HA H 7 4.524 4.524 4.546 -0.022 17823 12 1 . 1 1 8 8 LYS HA H 8 4.143 4.143 3.917 0.226 17823 13 1 . 1 1 8 8 LYS H H 8 8.703 8.703 8.626 0.077 17823 14 1 . 1 1 9 9 ILE HA H 9 4.341 4.341 3.858 0.483 17823 15 1 . 1 1 9 9 ILE H H 9 7.171 7.171 7.740 -0.569 17823 16 1 . 1 1 10 10 GLY H H 10 8.237 8.237 7.439 0.798 17823 17 1 . 1 1 11 11 TYR HA H 11 4.767 4.767 4.774 -0.007 17823 18 1 . 1 1 11 11 TYR H H 11 7.230 7.230 8.072 -0.842 17823 19 1 . 1 1 12 12 CYS HA H 12 5.897 5.897 5.373 0.523 17823 20 1 . 1 1 12 12 CYS H H 12 8.956 8.956 8.731 0.225 17823 21 1 . 1 1 13 13 SER HA H 13 4.692 4.692 4.721 -0.029 17823 22 1 . 1 1 14 14 ASN HA H 14 4.757 4.757 4.583 0.174 17823 23 1 . 1 1 14 14 ASN H H 14 8.721 8.721 8.779 -0.058 17823 24 1 . 1 1 15 15 THR HA H 15 4.111 4.111 3.576 0.535 17823 25 1 . 1 1 15 15 THR H H 15 7.640 7.640 7.395 0.245 17823 26 1 . 1 1 16 16 CYS HA H 16 4.858 4.858 4.329 0.529 17823 27 1 . 1 1 16 16 CYS H H 16 4.379 4.379 6.496 -2.117 17823 28 1 . 1 1 17 17 SER HA H 17 4.639 4.639 4.324 0.316 17823 29 1 . 1 1 17 17 SER H H 17 8.375 8.375 8.602 -0.227 17823 30 1 . 1 1 18 18 LYS HA H 18 4.406 4.406 4.176 0.230 17823 31 1 . 1 1 18 18 LYS H H 18 8.794 8.794 8.819 -0.026 17823 32 1 . 1 1 19 19 THR HA H 19 4.471 4.471 4.218 0.253 17823 33 1 . 1 1 19 19 THR H H 19 8.057 8.057 8.030 0.027 17823 34 1 . 1 1 20 20 GLN HA H 20 4.577 4.577 4.796 -0.219 17823 35 1 . 1 1 20 20 GLN H H 20 7.264 7.264 7.661 -0.397 17823 36 1 . 1 1 21 21 ILE HA H 21 4.267 4.267 4.200 0.067 17823 37 1 . 1 1 21 21 ILE H H 21 9.161 9.161 8.674 0.486 17823 38 1 . 1 1 22 22 TRP HA H 22 4.894 4.894 4.650 0.244 17823 39 1 . 1 1 22 22 TRP H H 22 9.220 9.220 8.908 0.312 17823 40 1 . 1 1 23 23 ALA HA H 23 4.857 4.857 4.376 0.481 17823 41 1 . 1 1 23 23 ALA H H 23 8.124 8.124 8.183 -0.059 17823 42 1 . 1 1 24 24 THR HA H 24 4.686 4.686 4.335 0.351 17823 43 1 . 1 1 24 24 THR H H 24 8.577 8.577 8.324 0.253 17823 44 1 . 1 1 25 25 SER HA H 25 5.093 5.093 4.944 0.150 17823 45 1 . 1 1 25 25 SER H H 25 9.536 9.536 8.605 0.931 17823 46 1 . 1 1 26 26 HIS HA H 26 4.497 4.497 4.349 0.148 17823 47 1 . 1 1 26 26 HIS H H 26 7.845 7.845 9.082 -1.237 17823 48 1 . 1 1 28 28 CYS HA H 28 5.139 5.139 4.682 0.457 17823 49 1 . 1 1 28 28 CYS H H 28 7.329 7.329 7.599 -0.271 17823 50 1 . 1 1 29 29 LYS HA H 29 4.061 4.061 4.066 -0.005 17823 51 1 . 1 1 29 29 LYS H H 29 9.020 9.020 8.534 0.486 17823 52 1 . 1 1 30 30 MET HA H 30 4.501 4.501 4.420 0.081 17823 53 1 . 1 1 31 31 TYR HA H 31 5.115 5.115 4.524 0.591 17823 54 1 . 1 1 31 31 TYR H H 31 7.863 7.863 8.099 -0.236 17823 55 1 . 1 1 32 32 CYS HA H 32 4.880 4.880 4.850 0.030 17823 56 1 . 1 1 32 32 CYS H H 32 8.876 8.876 8.734 0.142 17823 57 1 . 1 1 33 33 CYS HA H 33 4.890 4.890 5.035 -0.145 17823 58 1 . 1 1 33 33 CYS H H 33 8.657 8.657 8.807 -0.150 17823 59 1 . 1 1 34 34 LEU HA H 34 4.703 4.703 4.621 0.082 17823 60 1 . 1 1 34 34 LEU H H 34 8.783 8.783 8.001 0.782 17823 61 1 . 1 1 35 35 PRO HA H 35 4.621 4.621 4.411 0.210 17823 62 1 . 1 1 36 36 ALA HA H 36 4.172 4.172 4.079 0.093 17823 63 1 . 1 1 36 36 ALA H H 36 8.623 8.623 8.418 0.205 17823 64 1 . 1 1 37 37 SER HA H 37 4.281 4.281 4.346 -0.065 17823 65 1 . 1 1 37 37 SER H H 37 7.771 7.771 8.023 -0.252 17823 66 1 . 1 1 38 38 TRP HA H 38 4.217 4.217 4.441 -0.224 17823 67 1 . 1 1 38 38 TRP H H 38 8.073 8.073 7.833 0.240 17823 68 1 . 1 1 39 39 LYS HA H 39 4.059 4.059 4.152 -0.093 17823 69 1 . 1 1 39 39 LYS H H 39 7.190 7.190 7.956 -0.766 17823 70 1 . 1 1 40 40 TRP HA H 40 4.202 4.202 3.608 0.594 17823 71 1 . 1 1 40 40 TRP H H 40 7.669 7.669 8.090 -0.421 17823 stop_ save_