data_18409 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18409 _Entry.PDB_ID 2LS3 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 18409 _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 HIS HA H 2 5.073 5.073 4.388 0.685 18409 2 1 1 . 1 1 3 3 LEU HA H 3 4.348 4.348 4.250 0.098 18409 3 1 1 . 1 1 4 4 LEU HA H 4 4.178 4.178 4.087 0.091 18409 4 1 1 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.960 0.047 18409 5 1 1 . 1 1 6 6 THR HA H 6 4.087 4.087 4.325 -0.238 18409 6 1 1 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.501 0.236 18409 7 1 1 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.845 0.358 18409 8 1 1 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.561 -0.058 18409 9 1 1 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.605 0.077 18409 10 1 1 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.689 0.035 18409 11 1 1 . 1 1 12 12 GLN HA H 12 4.021 4.021 3.951 0.070 18409 12 1 1 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.533 0.092 18409 13 1 1 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.096 0.583 18409 14 1 1 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.902 0.061 18409 15 1 1 . 1 1 16 16 SER HA H 16 4.217 4.217 4.253 -0.036 18409 16 1 1 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.453 -0.093 18409 17 1 1 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.503 -0.159 18409 18 1 1 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.831 0.249 18409 19 1 1 . 1 1 20 20 MET HA H 20 4.305 4.305 4.199 0.106 18409 20 1 1 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.474 -0.378 18409 21 1 1 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.567 0.098 18409 22 1 1 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.062 0.232 18409 23 1 1 . 1 1 24 24 MET HA H 24 4.237 4.237 4.153 0.084 18409 24 1 1 . 1 1 25 25 THR HA H 25 4.030 4.030 4.255 -0.225 18409 25 1 1 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.523 -0.243 18409 26 1 1 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.703 -0.160 18409 27 1 1 . 1 1 28 28 LYS HA H 28 4.409 4.409 3.972 0.437 18409 28 1 2 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.744 0.329 18409 29 1 2 . 1 1 3 3 LEU HA H 3 4.348 4.348 4.391 -0.043 18409 30 1 2 . 1 1 4 4 LEU HA H 4 4.178 4.178 4.550 -0.372 18409 31 1 2 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.970 0.037 18409 32 1 2 . 1 1 6 6 THR HA H 6 4.087 4.087 4.133 -0.046 18409 33 1 2 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.740 -0.003 18409 34 1 2 . 1 1 8 8 LEU HA H 8 4.203 4.203 4.074 0.129 18409 35 1 2 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.428 0.075 18409 36 1 2 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.789 -0.107 18409 37 1 2 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.718 0.006 18409 38 1 2 . 1 1 12 12 GLN HA H 12 4.021 4.021 4.027 -0.006 18409 39 1 2 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.620 0.005 18409 40 1 2 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.520 0.159 18409 41 1 2 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.753 0.210 18409 42 1 2 . 1 1 16 16 SER HA H 16 4.217 4.217 4.166 0.051 18409 43 1 2 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.476 -0.116 18409 44 1 2 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.476 -0.132 18409 45 1 2 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.729 0.351 18409 46 1 2 . 1 1 20 20 MET HA H 20 4.305 4.305 4.141 0.164 18409 47 1 2 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.597 -0.501 18409 48 1 2 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.575 0.090 18409 49 1 2 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.501 -0.207 18409 50 1 2 . 1 1 24 24 MET HA H 24 4.237 4.237 4.648 -0.411 18409 51 1 2 . 1 1 25 25 THR HA H 25 4.030 4.030 4.086 -0.056 18409 52 1 2 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.650 -0.370 18409 53 1 2 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.720 -0.177 18409 54 1 2 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.247 0.162 18409 55 1 3 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.791 0.282 18409 56 1 3 . 1 1 3 3 LEU HA H 3 4.348 4.348 4.184 0.164 18409 57 1 3 . 1 1 4 4 LEU HA H 4 4.178 4.178 4.046 0.132 18409 58 1 3 . 1 1 5 5 GLN HA H 5 4.007 4.007 4.094 -0.087 18409 59 1 3 . 1 1 6 6 THR HA H 6 4.087 4.087 4.344 -0.257 18409 60 1 3 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.557 0.180 18409 61 1 3 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.825 0.378 18409 62 1 3 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.399 0.104 18409 63 1 3 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.636 0.046 18409 64 1 3 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.700 0.024 18409 65 1 3 . 1 1 12 12 GLN HA H 12 4.021 4.021 4.025 -0.004 18409 66 1 3 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.577 0.048 18409 67 1 3 . 1 1 14 14 VAL HA H 14 3.679 3.679 2.971 0.708 18409 68 1 3 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.847 0.116 18409 69 1 3 . 1 1 16 16 SER HA H 16 4.217 4.217 4.224 -0.007 18409 70 1 3 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.504 -0.144 18409 71 1 3 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.626 -0.282 18409 72 1 3 . 1 1 19 19 LEU HA H 19 4.080 4.080 4.051 0.029 18409 73 1 3 . 1 1 20 20 MET HA H 20 4.305 4.305 4.356 -0.051 18409 74 1 3 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.595 -0.499 18409 75 1 3 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.574 0.091 18409 76 1 3 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.512 -0.218 18409 77 1 3 . 1 1 24 24 MET HA H 24 4.237 4.237 4.606 -0.369 18409 78 1 3 . 1 1 25 25 THR HA H 25 4.030 4.030 4.081 -0.051 18409 79 1 3 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.554 -0.274 18409 80 1 3 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.986 -0.443 18409 81 1 3 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.403 0.006 18409 82 1 4 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.847 0.226 18409 83 1 4 . 1 1 3 3 LEU HA H 3 4.348 4.348 4.188 0.160 18409 84 1 4 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.940 0.238 18409 85 1 4 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.944 0.063 18409 86 1 4 . 1 1 6 6 THR HA H 6 4.087 4.087 4.403 -0.316 18409 87 1 4 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.495 0.242 18409 88 1 4 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.822 0.381 18409 89 1 4 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.326 0.177 18409 90 1 4 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.801 -0.119 18409 91 1 4 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.705 0.019 18409 92 1 4 . 1 1 12 12 GLN HA H 12 4.021 4.021 3.925 0.096 18409 93 1 4 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.553 0.072 18409 94 1 4 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.046 0.633 18409 95 1 4 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.808 0.155 18409 96 1 4 . 1 1 16 16 SER HA H 16 4.217 4.217 4.179 0.038 18409 97 1 4 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.410 -0.050 18409 98 1 4 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.505 -0.161 18409 99 1 4 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.553 0.527 18409 100 1 4 . 1 1 20 20 MET HA H 20 4.305 4.305 4.087 0.218 18409 101 1 4 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.334 -0.238 18409 102 1 4 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.565 0.100 18409 103 1 4 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.327 -0.033 18409 104 1 4 . 1 1 24 24 MET HA H 24 4.237 4.237 4.584 -0.347 18409 105 1 4 . 1 1 25 25 THR HA H 25 4.030 4.030 4.364 -0.334 18409 106 1 4 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.456 -0.176 18409 107 1 4 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.471 0.072 18409 108 1 4 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.329 0.080 18409 109 1 5 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.723 0.350 18409 110 1 5 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.931 0.417 18409 111 1 5 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.869 0.309 18409 112 1 5 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.827 0.180 18409 113 1 5 . 1 1 6 6 THR HA H 6 4.087 4.087 4.159 -0.072 18409 114 1 5 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.706 0.031 18409 115 1 5 . 1 1 8 8 LEU HA H 8 4.203 4.203 4.135 0.068 18409 116 1 5 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.561 -0.058 18409 117 1 5 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.758 -0.076 18409 118 1 5 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.689 0.035 18409 119 1 5 . 1 1 12 12 GLN HA H 12 4.021 4.021 3.962 0.059 18409 120 1 5 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.581 0.044 18409 121 1 5 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.018 0.661 18409 122 1 5 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.856 0.107 18409 123 1 5 . 1 1 16 16 SER HA H 16 4.217 4.217 4.211 0.006 18409 124 1 5 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.442 -0.082 18409 125 1 5 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.526 -0.182 18409 126 1 5 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.893 0.187 18409 127 1 5 . 1 1 20 20 MET HA H 20 4.305 4.305 4.290 0.015 18409 128 1 5 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.251 -0.155 18409 129 1 5 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.361 0.304 18409 130 1 5 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.086 0.208 18409 131 1 5 . 1 1 24 24 MET HA H 24 4.237 4.237 4.095 0.142 18409 132 1 5 . 1 1 25 25 THR HA H 25 4.030 4.030 3.960 0.070 18409 133 1 5 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.554 -0.274 18409 134 1 5 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.921 -0.378 18409 135 1 5 . 1 1 28 28 LYS HA H 28 4.409 4.409 3.980 0.429 18409 136 1 6 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.192 0.881 18409 137 1 6 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.980 0.368 18409 138 1 6 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.869 0.309 18409 139 1 6 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.861 0.146 18409 140 1 6 . 1 1 6 6 THR HA H 6 4.087 4.087 4.044 0.043 18409 141 1 6 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.606 0.131 18409 142 1 6 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.991 0.212 18409 143 1 6 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.357 0.146 18409 144 1 6 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.698 -0.016 18409 145 1 6 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.601 0.123 18409 146 1 6 . 1 1 12 12 GLN HA H 12 4.021 4.021 4.001 0.020 18409 147 1 6 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.668 -0.043 18409 148 1 6 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.493 0.186 18409 149 1 6 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.516 0.447 18409 150 1 6 . 1 1 16 16 SER HA H 16 4.217 4.217 4.227 -0.010 18409 151 1 6 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.618 -0.258 18409 152 1 6 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.522 -0.178 18409 153 1 6 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.880 0.200 18409 154 1 6 . 1 1 20 20 MET HA H 20 4.305 4.305 4.146 0.159 18409 155 1 6 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.562 -0.466 18409 156 1 6 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.375 0.290 18409 157 1 6 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.437 -0.143 18409 158 1 6 . 1 1 24 24 MET HA H 24 4.237 4.237 4.607 -0.370 18409 159 1 6 . 1 1 25 25 THR HA H 25 4.030 4.030 4.134 -0.104 18409 160 1 6 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.521 -0.241 18409 161 1 6 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.574 -0.031 18409 162 1 6 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.017 0.392 18409 163 1 7 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.806 0.267 18409 164 1 7 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.922 0.426 18409 165 1 7 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.888 0.290 18409 166 1 7 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.940 0.067 18409 167 1 7 . 1 1 6 6 THR HA H 6 4.087 4.087 4.199 -0.112 18409 168 1 7 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.647 0.090 18409 169 1 7 . 1 1 8 8 LEU HA H 8 4.203 4.203 4.120 0.083 18409 170 1 7 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.860 -0.357 18409 171 1 7 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.683 -0.001 18409 172 1 7 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.711 0.013 18409 173 1 7 . 1 1 12 12 GLN HA H 12 4.021 4.021 3.958 0.063 18409 174 1 7 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.637 -0.012 18409 175 1 7 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.172 0.507 18409 176 1 7 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.892 0.071 18409 177 1 7 . 1 1 16 16 SER HA H 16 4.217 4.217 4.251 -0.034 18409 178 1 7 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.448 -0.088 18409 179 1 7 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.522 -0.178 18409 180 1 7 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.947 0.133 18409 181 1 7 . 1 1 20 20 MET HA H 20 4.305 4.305 4.164 0.141 18409 182 1 7 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.524 -0.428 18409 183 1 7 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.014 0.651 18409 184 1 7 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.149 0.145 18409 185 1 7 . 1 1 24 24 MET HA H 24 4.237 4.237 3.903 0.334 18409 186 1 7 . 1 1 25 25 THR HA H 25 4.030 4.030 4.044 -0.014 18409 187 1 7 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.601 -0.321 18409 188 1 7 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.715 -0.172 18409 189 1 7 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.025 0.384 18409 190 1 8 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.353 0.720 18409 191 1 8 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.974 0.374 18409 192 1 8 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.867 0.311 18409 193 1 8 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.904 0.103 18409 194 1 8 . 1 1 6 6 THR HA H 6 4.087 4.087 4.242 -0.155 18409 195 1 8 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.568 0.169 18409 196 1 8 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.814 0.389 18409 197 1 8 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.324 0.179 18409 198 1 8 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.764 -0.082 18409 199 1 8 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.600 0.124 18409 200 1 8 . 1 1 12 12 GLN HA H 12 4.021 4.021 3.977 0.044 18409 201 1 8 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.659 -0.034 18409 202 1 8 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.634 0.045 18409 203 1 8 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.583 0.380 18409 204 1 8 . 1 1 16 16 SER HA H 16 4.217 4.217 4.221 -0.004 18409 205 1 8 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.590 -0.230 18409 206 1 8 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.497 -0.153 18409 207 1 8 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.778 0.302 18409 208 1 8 . 1 1 20 20 MET HA H 20 4.305 4.305 4.242 0.063 18409 209 1 8 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.457 -0.361 18409 210 1 8 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.708 -0.043 18409 211 1 8 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.017 0.277 18409 212 1 8 . 1 1 24 24 MET HA H 24 4.237 4.237 3.870 0.367 18409 213 1 8 . 1 1 25 25 THR HA H 25 4.030 4.030 4.266 -0.236 18409 214 1 8 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.547 -0.267 18409 215 1 8 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.653 -0.110 18409 216 1 8 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.194 0.215 18409 217 1 9 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.795 0.278 18409 218 1 9 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.937 0.411 18409 219 1 9 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.902 0.276 18409 220 1 9 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.848 0.159 18409 221 1 9 . 1 1 6 6 THR HA H 6 4.087 4.087 4.169 -0.082 18409 222 1 9 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.695 0.042 18409 223 1 9 . 1 1 8 8 LEU HA H 8 4.203 4.203 4.061 0.142 18409 224 1 9 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.772 -0.269 18409 225 1 9 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.694 -0.012 18409 226 1 9 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.555 0.169 18409 227 1 9 . 1 1 12 12 GLN HA H 12 4.021 4.021 3.944 0.077 18409 228 1 9 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.718 -0.093 18409 229 1 9 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.495 0.184 18409 230 1 9 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.481 0.482 18409 231 1 9 . 1 1 16 16 SER HA H 16 4.217 4.217 4.257 -0.040 18409 232 1 9 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.582 -0.222 18409 233 1 9 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.508 -0.164 18409 234 1 9 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.846 0.234 18409 235 1 9 . 1 1 20 20 MET HA H 20 4.305 4.305 4.190 0.115 18409 236 1 9 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.412 -0.316 18409 237 1 9 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.497 0.168 18409 238 1 9 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.013 0.281 18409 239 1 9 . 1 1 24 24 MET HA H 24 4.237 4.237 4.082 0.155 18409 240 1 9 . 1 1 25 25 THR HA H 25 4.030 4.030 4.225 -0.195 18409 241 1 9 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.458 -0.178 18409 242 1 9 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.731 -0.188 18409 243 1 9 . 1 1 28 28 LYS HA H 28 4.409 4.409 3.975 0.434 18409 244 1 10 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.324 0.749 18409 245 1 10 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.963 0.385 18409 246 1 10 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.886 0.291 18409 247 1 10 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.974 0.033 18409 248 1 10 . 1 1 6 6 THR HA H 6 4.087 4.087 4.237 -0.150 18409 249 1 10 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.513 0.224 18409 250 1 10 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.858 0.345 18409 251 1 10 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.347 0.156 18409 252 1 10 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.563 0.119 18409 253 1 10 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.681 0.043 18409 254 1 10 . 1 1 12 12 GLN HA H 12 4.021 4.021 3.951 0.070 18409 255 1 10 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.534 0.091 18409 256 1 10 . 1 1 14 14 VAL HA H 14 3.679 3.679 2.983 0.696 18409 257 1 10 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.807 0.156 18409 258 1 10 . 1 1 16 16 SER HA H 16 4.217 4.217 4.157 0.060 18409 259 1 10 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.414 -0.054 18409 260 1 10 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.503 -0.159 18409 261 1 10 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.760 0.320 18409 262 1 10 . 1 1 20 20 MET HA H 20 4.305 4.305 4.051 0.254 18409 263 1 10 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.454 -0.358 18409 264 1 10 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.524 0.141 18409 265 1 10 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.361 -0.067 18409 266 1 10 . 1 1 24 24 MET HA H 24 4.237 4.237 4.592 -0.355 18409 267 1 10 . 1 1 25 25 THR HA H 25 4.030 4.030 4.218 -0.188 18409 268 1 10 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.494 -0.214 18409 269 1 10 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.789 -0.246 18409 270 1 10 . 1 1 28 28 LYS HA H 28 4.409 4.409 3.959 0.450 18409 271 1 11 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.290 0.783 18409 272 1 11 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.949 0.399 18409 273 1 11 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.846 0.332 18409 274 1 11 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.975 0.032 18409 275 1 11 . 1 1 6 6 THR HA H 6 4.087 4.087 4.359 -0.272 18409 276 1 11 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.553 0.184 18409 277 1 11 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.795 0.408 18409 278 1 11 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.507 -0.004 18409 279 1 11 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.787 -0.105 18409 280 1 11 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.584 0.140 18409 281 1 11 . 1 1 12 12 GLN HA H 12 4.021 4.021 4.000 0.021 18409 282 1 11 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.691 -0.066 18409 283 1 11 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.448 0.231 18409 284 1 11 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.540 0.423 18409 285 1 11 . 1 1 16 16 SER HA H 16 4.217 4.217 4.236 -0.019 18409 286 1 11 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.617 -0.257 18409 287 1 11 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.544 -0.200 18409 288 1 11 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.956 0.124 18409 289 1 11 . 1 1 20 20 MET HA H 20 4.305 4.305 4.126 0.179 18409 290 1 11 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.560 -0.464 18409 291 1 11 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.302 0.363 18409 292 1 11 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.418 -0.124 18409 293 1 11 . 1 1 24 24 MET HA H 24 4.237 4.237 4.579 -0.342 18409 294 1 11 . 1 1 25 25 THR HA H 25 4.030 4.030 4.087 -0.057 18409 295 1 11 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.526 -0.246 18409 296 1 11 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.535 0.008 18409 297 1 11 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.093 0.316 18409 298 1 12 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.825 0.248 18409 299 1 12 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.970 0.378 18409 300 1 12 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.974 0.204 18409 301 1 12 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.944 0.063 18409 302 1 12 . 1 1 6 6 THR HA H 6 4.087 4.087 4.381 -0.294 18409 303 1 12 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.551 0.186 18409 304 1 12 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.829 0.374 18409 305 1 12 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.746 -0.243 18409 306 1 12 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.697 -0.015 18409 307 1 12 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.570 0.154 18409 308 1 12 . 1 1 12 12 GLN HA H 12 4.021 4.021 4.037 -0.016 18409 309 1 12 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.646 -0.021 18409 310 1 12 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.455 0.224 18409 311 1 12 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.543 0.420 18409 312 1 12 . 1 1 16 16 SER HA H 16 4.217 4.217 4.251 -0.034 18409 313 1 12 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.653 -0.293 18409 314 1 12 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.530 -0.186 18409 315 1 12 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.860 0.220 18409 316 1 12 . 1 1 20 20 MET HA H 20 4.305 4.305 4.102 0.203 18409 317 1 12 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.444 -0.348 18409 318 1 12 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.600 0.065 18409 319 1 12 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.340 -0.046 18409 320 1 12 . 1 1 24 24 MET HA H 24 4.237 4.237 4.423 -0.186 18409 321 1 12 . 1 1 25 25 THR HA H 25 4.030 4.030 3.995 0.035 18409 322 1 12 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.608 -0.328 18409 323 1 12 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.780 -0.237 18409 324 1 12 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.190 0.219 18409 325 1 13 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.763 0.310 18409 326 1 13 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.919 0.429 18409 327 1 13 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.899 0.279 18409 328 1 13 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.978 0.029 18409 329 1 13 . 1 1 6 6 THR HA H 6 4.087 4.087 4.347 -0.260 18409 330 1 13 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.608 0.129 18409 331 1 13 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.851 0.352 18409 332 1 13 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.328 0.175 18409 333 1 13 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.792 -0.110 18409 334 1 13 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.742 -0.018 18409 335 1 13 . 1 1 12 12 GLN HA H 12 4.021 4.021 4.036 -0.015 18409 336 1 13 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.604 0.021 18409 337 1 13 . 1 1 14 14 VAL HA H 14 3.679 3.679 2.992 0.687 18409 338 1 13 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.830 0.133 18409 339 1 13 . 1 1 16 16 SER HA H 16 4.217 4.217 4.156 0.061 18409 340 1 13 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.367 -0.007 18409 341 1 13 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.311 0.033 18409 342 1 13 . 1 1 19 19 LEU HA H 19 4.080 4.080 4.039 0.041 18409 343 1 13 . 1 1 20 20 MET HA H 20 4.305 4.305 4.313 -0.008 18409 344 1 13 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.431 -0.335 18409 345 1 13 . 1 1 22 22 ILE HA H 22 3.665 3.665 2.904 0.761 18409 346 1 13 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.040 0.254 18409 347 1 13 . 1 1 24 24 MET HA H 24 4.237 4.237 4.139 0.098 18409 348 1 13 . 1 1 25 25 THR HA H 25 4.030 4.030 4.040 -0.010 18409 349 1 13 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.475 -0.195 18409 350 1 13 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.608 -0.065 18409 351 1 13 . 1 1 28 28 LYS HA H 28 4.409 4.409 3.961 0.448 18409 352 1 14 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.369 0.704 18409 353 1 14 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.991 0.357 18409 354 1 14 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.852 0.326 18409 355 1 14 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.862 0.145 18409 356 1 14 . 1 1 6 6 THR HA H 6 4.087 4.087 4.214 -0.127 18409 357 1 14 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.730 0.007 18409 358 1 14 . 1 1 8 8 LEU HA H 8 4.203 4.203 4.115 0.088 18409 359 1 14 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.766 -0.263 18409 360 1 14 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.722 -0.040 18409 361 1 14 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.709 0.015 18409 362 1 14 . 1 1 12 12 GLN HA H 12 4.021 4.021 4.050 -0.029 18409 363 1 14 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.687 -0.062 18409 364 1 14 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.317 0.362 18409 365 1 14 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.911 0.052 18409 366 1 14 . 1 1 16 16 SER HA H 16 4.217 4.217 4.234 -0.017 18409 367 1 14 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.501 -0.141 18409 368 1 14 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.520 -0.176 18409 369 1 14 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.865 0.215 18409 370 1 14 . 1 1 20 20 MET HA H 20 4.305 4.305 4.104 0.201 18409 371 1 14 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.477 -0.381 18409 372 1 14 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.670 -0.005 18409 373 1 14 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.328 -0.034 18409 374 1 14 . 1 1 24 24 MET HA H 24 4.237 4.237 4.345 -0.108 18409 375 1 14 . 1 1 25 25 THR HA H 25 4.030 4.030 4.046 -0.016 18409 376 1 14 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.617 -0.337 18409 377 1 14 . 1 1 27 27 ASN HA H 27 4.543 4.543 5.031 -0.488 18409 378 1 14 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.131 0.278 18409 379 1 15 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.355 0.718 18409 380 1 15 . 1 1 3 3 LEU HA H 3 4.348 4.348 4.293 0.055 18409 381 1 15 . 1 1 4 4 LEU HA H 4 4.178 4.178 4.563 -0.385 18409 382 1 15 . 1 1 5 5 GLN HA H 5 4.007 4.007 4.039 -0.032 18409 383 1 15 . 1 1 6 6 THR HA H 6 4.087 4.087 4.156 -0.069 18409 384 1 15 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.619 0.118 18409 385 1 15 . 1 1 8 8 LEU HA H 8 4.203 4.203 4.090 0.113 18409 386 1 15 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.509 -0.006 18409 387 1 15 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.591 0.091 18409 388 1 15 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.671 0.053 18409 389 1 15 . 1 1 12 12 GLN HA H 12 4.021 4.021 4.002 0.019 18409 390 1 15 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.494 0.131 18409 391 1 15 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.055 0.624 18409 392 1 15 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.853 0.110 18409 393 1 15 . 1 1 16 16 SER HA H 16 4.217 4.217 4.183 0.034 18409 394 1 15 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.448 -0.088 18409 395 1 15 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.585 -0.241 18409 396 1 15 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.816 0.264 18409 397 1 15 . 1 1 20 20 MET HA H 20 4.305 4.305 4.148 0.157 18409 398 1 15 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.340 -0.244 18409 399 1 15 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.560 0.105 18409 400 1 15 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.023 0.271 18409 401 1 15 . 1 1 24 24 MET HA H 24 4.237 4.237 3.949 0.288 18409 402 1 15 . 1 1 25 25 THR HA H 25 4.030 4.030 3.987 0.043 18409 403 1 15 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.655 -0.375 18409 404 1 15 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.789 -0.246 18409 405 1 15 . 1 1 28 28 LYS HA H 28 4.409 4.409 3.963 0.446 18409 406 1 16 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.253 0.820 18409 407 1 16 . 1 1 3 3 LEU HA H 3 4.348 4.348 4.045 0.303 18409 408 1 16 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.872 0.306 18409 409 1 16 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.824 0.183 18409 410 1 16 . 1 1 6 6 THR HA H 6 4.087 4.087 4.303 -0.216 18409 411 1 16 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.619 0.118 18409 412 1 16 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.841 0.362 18409 413 1 16 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.321 0.182 18409 414 1 16 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.732 -0.050 18409 415 1 16 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.704 0.020 18409 416 1 16 . 1 1 12 12 GLN HA H 12 4.021 4.021 3.975 0.046 18409 417 1 16 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.611 0.014 18409 418 1 16 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.215 0.464 18409 419 1 16 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.883 0.080 18409 420 1 16 . 1 1 16 16 SER HA H 16 4.217 4.217 4.230 -0.013 18409 421 1 16 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.411 -0.051 18409 422 1 16 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.567 -0.223 18409 423 1 16 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.814 0.266 18409 424 1 16 . 1 1 20 20 MET HA H 20 4.305 4.305 4.035 0.270 18409 425 1 16 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.097 -0.001 18409 426 1 16 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.582 0.083 18409 427 1 16 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.388 -0.094 18409 428 1 16 . 1 1 24 24 MET HA H 24 4.237 4.237 4.559 -0.322 18409 429 1 16 . 1 1 25 25 THR HA H 25 4.030 4.030 4.268 -0.238 18409 430 1 16 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.699 -0.419 18409 431 1 16 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.919 -0.376 18409 432 1 16 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.549 -0.140 18409 433 1 17 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.370 0.703 18409 434 1 17 . 1 1 3 3 LEU HA H 3 4.348 4.348 4.064 0.284 18409 435 1 17 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.847 0.331 18409 436 1 17 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.834 0.173 18409 437 1 17 . 1 1 6 6 THR HA H 6 4.087 4.087 4.217 -0.130 18409 438 1 17 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.507 0.230 18409 439 1 17 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.821 0.382 18409 440 1 17 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.444 0.059 18409 441 1 17 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.754 -0.072 18409 442 1 17 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.697 0.027 18409 443 1 17 . 1 1 12 12 GLN HA H 12 4.021 4.021 3.960 0.061 18409 444 1 17 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.577 0.048 18409 445 1 17 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.244 0.435 18409 446 1 17 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.875 0.088 18409 447 1 17 . 1 1 16 16 SER HA H 16 4.217 4.217 4.251 -0.034 18409 448 1 17 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.467 -0.107 18409 449 1 17 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.503 -0.159 18409 450 1 17 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.819 0.261 18409 451 1 17 . 1 1 20 20 MET HA H 20 4.305 4.305 4.182 0.123 18409 452 1 17 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.447 -0.351 18409 453 1 17 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.546 0.119 18409 454 1 17 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.055 0.239 18409 455 1 17 . 1 1 24 24 MET HA H 24 4.237 4.237 4.139 0.098 18409 456 1 17 . 1 1 25 25 THR HA H 25 4.030 4.030 4.120 -0.090 18409 457 1 17 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.555 -0.275 18409 458 1 17 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.928 -0.385 18409 459 1 17 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.540 -0.131 18409 460 1 18 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.603 0.470 18409 461 1 18 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.997 0.351 18409 462 1 18 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.984 0.194 18409 463 1 18 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.956 0.051 18409 464 1 18 . 1 1 6 6 THR HA H 6 4.087 4.087 4.301 -0.214 18409 465 1 18 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.590 0.147 18409 466 1 18 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.850 0.353 18409 467 1 18 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.302 0.201 18409 468 1 18 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.557 0.125 18409 469 1 18 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.680 0.044 18409 470 1 18 . 1 1 12 12 GLN HA H 12 4.021 4.021 4.045 -0.024 18409 471 1 18 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.684 -0.059 18409 472 1 18 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.038 0.641 18409 473 1 18 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.857 0.106 18409 474 1 18 . 1 1 16 16 SER HA H 16 4.217 4.217 4.166 0.051 18409 475 1 18 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.321 0.039 18409 476 1 18 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.417 -0.073 18409 477 1 18 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.764 0.316 18409 478 1 18 . 1 1 20 20 MET HA H 20 4.305 4.305 4.066 0.239 18409 479 1 18 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.512 -0.416 18409 480 1 18 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.607 0.058 18409 481 1 18 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.154 0.140 18409 482 1 18 . 1 1 24 24 MET HA H 24 4.237 4.237 4.347 -0.110 18409 483 1 18 . 1 1 25 25 THR HA H 25 4.030 4.030 4.277 -0.247 18409 484 1 18 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.477 -0.197 18409 485 1 18 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.436 0.107 18409 486 1 18 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.378 0.031 18409 487 1 19 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.340 0.733 18409 488 1 19 . 1 1 3 3 LEU HA H 3 4.348 4.348 4.010 0.338 18409 489 1 19 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.995 0.183 18409 490 1 19 . 1 1 5 5 GLN HA H 5 4.007 4.007 4.127 -0.120 18409 491 1 19 . 1 1 6 6 THR HA H 6 4.087 4.087 4.243 -0.156 18409 492 1 19 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.616 0.121 18409 493 1 19 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.843 0.360 18409 494 1 19 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.303 0.200 18409 495 1 19 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.685 -0.003 18409 496 1 19 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.720 0.004 18409 497 1 19 . 1 1 12 12 GLN HA H 12 4.021 4.021 4.043 -0.022 18409 498 1 19 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.664 -0.039 18409 499 1 19 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.508 0.171 18409 500 1 19 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.851 0.112 18409 501 1 19 . 1 1 16 16 SER HA H 16 4.217 4.217 4.240 -0.023 18409 502 1 19 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.522 -0.162 18409 503 1 19 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.463 -0.119 18409 504 1 19 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.830 0.250 18409 505 1 19 . 1 1 20 20 MET HA H 20 4.305 4.305 4.164 0.141 18409 506 1 19 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.436 -0.340 18409 507 1 19 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.505 0.160 18409 508 1 19 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.109 0.185 18409 509 1 19 . 1 1 24 24 MET HA H 24 4.237 4.237 4.014 0.223 18409 510 1 19 . 1 1 25 25 THR HA H 25 4.030 4.030 4.262 -0.232 18409 511 1 19 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.552 -0.272 18409 512 1 19 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.717 -0.174 18409 513 1 19 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.005 0.404 18409 514 1 20 . 1 1 2 2 HIS HA H 2 5.073 5.073 4.714 0.359 18409 515 1 20 . 1 1 3 3 LEU HA H 3 4.348 4.348 3.884 0.464 18409 516 1 20 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.799 0.379 18409 517 1 20 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.854 0.153 18409 518 1 20 . 1 1 6 6 THR HA H 6 4.087 4.087 4.176 -0.089 18409 519 1 20 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.644 0.093 18409 520 1 20 . 1 1 8 8 LEU HA H 8 4.203 4.203 4.122 0.081 18409 521 1 20 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.849 -0.346 18409 522 1 20 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.782 -0.100 18409 523 1 20 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.713 0.011 18409 524 1 20 . 1 1 12 12 GLN HA H 12 4.021 4.021 3.954 0.067 18409 525 1 20 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.569 0.056 18409 526 1 20 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.063 0.616 18409 527 1 20 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.886 0.077 18409 528 1 20 . 1 1 16 16 SER HA H 16 4.217 4.217 4.218 -0.001 18409 529 1 20 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.451 -0.091 18409 530 1 20 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.596 -0.252 18409 531 1 20 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.976 0.104 18409 532 1 20 . 1 1 20 20 MET HA H 20 4.305 4.305 4.145 0.160 18409 533 1 20 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.671 -0.575 18409 534 1 20 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.613 0.052 18409 535 1 20 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.367 -0.073 18409 536 1 20 . 1 1 24 24 MET HA H 24 4.237 4.237 4.644 -0.407 18409 537 1 20 . 1 1 25 25 THR HA H 25 4.030 4.030 4.070 -0.040 18409 538 1 20 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.525 -0.245 18409 539 1 20 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.548 -0.005 18409 540 1 20 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.061 0.348 18409 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 18409 2 1 1 "Average Difference" HA 27 0.254 -0.076 0.247 18409 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18409 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18409 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18409 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18409 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18409 8 1 2 "Average Difference" HA 27 0.212 0.029 0.214 18409 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18409 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18409 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18409 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18409 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18409 14 1 3 "Average Difference" HA 27 0.253 0.014 0.257 18409 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18409 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18409 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18409 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18409 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18409 20 1 4 "Average Difference" HA 27 0.245 -0.064 0.241 18409 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18409 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18409 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18409 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18409 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18409 26 1 5 "Average Difference" HA 27 0.240 -0.087 0.229 18409 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18409 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18409 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18409 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18409 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18409 32 1 6 "Average Difference" HA 27 0.286 -0.081 0.280 18409 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18409 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18409 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18409 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18409 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18409 38 1 7 "Average Difference" HA 27 0.263 -0.072 0.257 18409 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18409 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18409 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18409 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18409 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18409 44 1 8 "Average Difference" HA 27 0.263 -0.088 0.253 18409 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18409 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18409 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18409 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18409 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18409 50 1 9 "Average Difference" HA 27 0.230 -0.069 0.224 18409 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18409 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18409 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18409 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18409 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18409 56 1 10 "Average Difference" HA 27 0.296 -0.103 0.283 18409 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18409 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18409 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18409 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18409 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18409 62 1 11 "Average Difference" HA 27 0.287 -0.066 0.284 18409 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18409 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18409 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18409 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 18409 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18409 68 1 12 "Average Difference" HA 27 0.228 -0.028 0.231 18409 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18409 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18409 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18409 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 18409 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18409 74 1 13 "Average Difference" HA 27 0.280 -0.119 0.258 18409 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18409 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18409 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18409 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 18409 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18409 80 1 14 "Average Difference" HA 27 0.252 -0.020 0.256 18409 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18409 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18409 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18409 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 18409 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18409 86 1 15 "Average Difference" HA 27 0.267 -0.072 0.262 18409 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18409 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18409 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18409 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 18409 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18409 92 1 16 "Average Difference" HA 27 0.276 -0.051 0.276 18409 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18409 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18409 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18409 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 18409 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18409 98 1 17 "Average Difference" HA 27 0.252 -0.071 0.246 18409 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18409 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18409 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18409 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 18409 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18409 104 1 18 "Average Difference" HA 27 0.239 -0.086 0.228 18409 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18409 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18409 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18409 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 18409 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18409 110 1 19 "Average Difference" HA 27 0.245 -0.071 0.239 18409 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18409 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18409 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18409 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 18409 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18409 116 1 20 "Average Difference" HA 27 0.262 -0.029 0.265 18409 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18409 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18409 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18409 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 18409 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 18409 _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 HIS HA H 2 5.073 5.073 4.542 0.531 18409 2 1 . 1 1 3 3 LEU HA H 3 4.348 4.348 4.042 0.306 18409 3 1 . 1 1 4 4 LEU HA H 4 4.178 4.178 3.977 0.201 18409 4 1 . 1 1 5 5 GLN HA H 5 4.007 4.007 3.936 0.071 18409 5 1 . 1 1 6 6 THR HA H 6 4.087 4.087 4.248 -0.161 18409 6 1 . 1 1 7 7 VAL HA H 7 3.737 3.737 3.603 0.134 18409 7 1 . 1 1 8 8 LEU HA H 8 4.203 4.203 3.935 0.268 18409 8 1 . 1 1 9 9 HIS HA H 9 4.503 4.503 4.501 0.003 18409 9 1 . 1 1 10 10 ILE HA H 10 3.682 3.682 3.705 -0.022 18409 10 1 . 1 1 11 11 ILE HA H 11 3.724 3.724 3.672 0.052 18409 11 1 . 1 1 12 12 GLN HA H 12 4.021 4.021 3.991 0.030 18409 12 1 . 1 1 13 13 VAL HA H 13 3.625 3.625 3.615 0.010 18409 13 1 . 1 1 14 14 VAL HA H 14 3.679 3.679 3.238 0.441 18409 14 1 . 1 1 15 15 ILE HA H 15 3.963 3.963 3.774 0.189 18409 15 1 . 1 1 16 16 SER HA H 16 4.217 4.217 4.216 0.001 18409 16 1 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.485 -0.125 18409 17 1 . 1 1 18 18 PHE HA H 18 4.344 4.344 4.511 -0.167 18409 18 1 . 1 1 19 19 LEU HA H 19 4.080 4.080 3.850 0.230 18409 19 1 . 1 1 20 20 MET HA H 20 4.305 4.305 4.163 0.142 18409 20 1 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.454 -0.358 18409 21 1 . 1 1 22 22 ILE HA H 22 3.665 3.665 3.482 0.183 18409 22 1 . 1 1 23 23 PHE HA H 23 4.294 4.294 4.234 0.060 18409 23 1 . 1 1 24 24 MET HA H 24 4.237 4.237 4.314 -0.077 18409 24 1 . 1 1 25 25 THR HA H 25 4.030 4.030 4.139 -0.109 18409 25 1 . 1 1 26 26 TYR HA H 26 4.280 4.280 4.552 -0.272 18409 26 1 . 1 1 27 27 ASN HA H 27 4.543 4.543 4.728 -0.185 18409 27 1 . 1 1 28 28 LYS HA H 28 4.409 4.409 4.149 0.260 18409 stop_ save_