data_18858 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18858 _Entry.PDB_ID 2M1D 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 18858 _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 ILE HA H 2 3.888 3.888 3.459 0.429 18858 2 1 1 . 1 1 2 2 ILE H H 2 8.399 8.399 7.915 0.484 18858 3 1 1 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.686 -0.051 18858 4 1 1 . 1 1 3 3 VAL H H 3 7.945 7.945 8.048 -0.103 18858 5 1 1 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.079 0.118 18858 6 1 1 . 1 1 4 4 GLU H H 4 8.038 8.038 8.158 -0.120 18858 7 1 1 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.286 -0.292 18858 8 1 1 . 1 1 5 5 GLN H H 5 8.207 8.207 7.812 0.395 18858 9 1 1 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.614 0.227 18858 10 1 1 . 1 1 6 6 CYS H H 6 8.159 8.159 8.396 -0.237 18858 11 1 1 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.332 0.449 18858 12 1 1 . 1 1 7 7 CYS H H 7 8.232 8.232 8.347 -0.115 18858 13 1 1 . 1 1 8 8 THR HA H 8 4.010 4.010 4.257 -0.247 18858 14 1 1 . 1 1 8 8 THR H H 8 8.079 8.079 7.851 0.228 18858 15 1 1 . 1 1 9 9 SER HA H 9 4.701 4.701 4.693 0.008 18858 16 1 1 . 1 1 9 9 SER H H 9 7.384 7.384 7.656 -0.272 18858 17 1 1 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.322 0.064 18858 18 1 1 . 1 1 10 10 ILE H H 10 7.751 7.751 8.288 -0.537 18858 19 1 1 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.953 0.060 18858 20 1 1 . 1 1 11 11 CYS H H 11 9.481 9.481 8.628 0.853 18858 21 1 1 . 1 1 12 12 SER HA H 12 4.564 4.564 4.689 -0.125 18858 22 1 1 . 1 1 12 12 SER H H 12 8.572 8.572 8.093 0.479 18858 23 1 1 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.934 -0.008 18858 24 1 1 . 1 1 13 13 LEU H H 13 8.635 8.635 8.635 -0.000 18858 25 1 1 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.412 -0.293 18858 26 1 1 . 1 1 14 14 TYR H H 14 7.466 7.466 7.399 0.067 18858 27 1 1 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.332 -0.385 18858 28 1 1 . 1 1 15 15 GLN H H 15 7.507 7.507 7.939 -0.432 18858 29 1 1 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.144 -0.032 18858 30 1 1 . 1 1 16 16 LEU H H 16 7.991 7.991 8.937 -0.946 18858 31 1 1 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.053 0.069 18858 32 1 1 . 1 1 17 17 GLU H H 17 8.014 8.014 8.066 -0.052 18858 33 1 1 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.450 -0.038 18858 34 1 1 . 1 1 18 18 ASN H H 18 7.399 7.399 7.807 -0.408 18858 35 1 1 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.682 -0.323 18858 36 1 1 . 1 1 19 19 TYR H H 19 7.846 7.846 7.457 0.389 18858 37 1 1 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.509 0.244 18858 38 1 1 . 1 1 20 20 CYS H H 20 7.363 7.363 7.628 -0.265 18858 39 1 2 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.788 0.100 18858 40 1 2 . 1 1 2 2 ILE H H 2 8.399 8.399 8.197 0.202 18858 41 1 2 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.642 -0.007 18858 42 1 2 . 1 1 3 3 VAL H H 3 7.945 7.945 7.976 -0.031 18858 43 1 2 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.135 0.062 18858 44 1 2 . 1 1 4 4 GLU H H 4 8.038 8.038 8.698 -0.660 18858 45 1 2 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.364 -0.370 18858 46 1 2 . 1 1 5 5 GLN H H 5 8.207 8.207 7.670 0.537 18858 47 1 2 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.804 0.037 18858 48 1 2 . 1 1 6 6 CYS H H 6 8.159 8.159 8.289 -0.130 18858 49 1 2 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.534 0.247 18858 50 1 2 . 1 1 7 7 CYS H H 7 8.232 8.232 8.016 0.216 18858 51 1 2 . 1 1 8 8 THR HA H 8 4.010 4.010 4.297 -0.287 18858 52 1 2 . 1 1 8 8 THR H H 8 8.079 8.079 7.872 0.207 18858 53 1 2 . 1 1 9 9 SER HA H 9 4.701 4.701 4.699 0.002 18858 54 1 2 . 1 1 9 9 SER H H 9 7.384 7.384 7.704 -0.320 18858 55 1 2 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.034 0.352 18858 56 1 2 . 1 1 10 10 ILE H H 10 7.751 7.751 8.236 -0.485 18858 57 1 2 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.845 0.168 18858 58 1 2 . 1 1 11 11 CYS H H 11 9.481 9.481 8.396 1.085 18858 59 1 2 . 1 1 12 12 SER HA H 12 4.564 4.564 4.838 -0.274 18858 60 1 2 . 1 1 12 12 SER H H 12 8.572 8.572 8.201 0.370 18858 61 1 2 . 1 1 13 13 LEU HA H 13 3.926 3.926 4.118 -0.192 18858 62 1 2 . 1 1 13 13 LEU H H 13 8.635 8.635 8.639 -0.004 18858 63 1 2 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.498 -0.379 18858 64 1 2 . 1 1 14 14 TYR H H 14 7.466 7.466 7.486 -0.020 18858 65 1 2 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.288 -0.341 18858 66 1 2 . 1 1 15 15 GLN H H 15 7.507 7.507 8.014 -0.507 18858 67 1 2 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.214 -0.102 18858 68 1 2 . 1 1 16 16 LEU H H 16 7.991 7.991 8.833 -0.842 18858 69 1 2 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.065 0.057 18858 70 1 2 . 1 1 17 17 GLU H H 17 8.014 8.014 8.120 -0.106 18858 71 1 2 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.430 -0.018 18858 72 1 2 . 1 1 18 18 ASN H H 18 7.399 7.399 7.901 -0.502 18858 73 1 2 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.703 -0.344 18858 74 1 2 . 1 1 19 19 TYR H H 19 7.846 7.846 7.498 0.348 18858 75 1 2 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.486 0.267 18858 76 1 2 . 1 1 20 20 CYS H H 20 7.363 7.363 7.940 -0.577 18858 77 1 3 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.398 0.490 18858 78 1 3 . 1 1 2 2 ILE H H 2 8.399 8.399 8.059 0.340 18858 79 1 3 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.591 0.044 18858 80 1 3 . 1 1 3 3 VAL H H 3 7.945 7.945 7.933 0.012 18858 81 1 3 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.045 0.152 18858 82 1 3 . 1 1 4 4 GLU H H 4 8.038 8.038 7.945 0.093 18858 83 1 3 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.298 -0.304 18858 84 1 3 . 1 1 5 5 GLN H H 5 8.207 8.207 7.839 0.368 18858 85 1 3 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.919 -0.078 18858 86 1 3 . 1 1 6 6 CYS H H 6 8.159 8.159 8.408 -0.249 18858 87 1 3 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.305 0.476 18858 88 1 3 . 1 1 7 7 CYS H H 7 8.232 8.232 8.118 0.114 18858 89 1 3 . 1 1 8 8 THR HA H 8 4.010 4.010 4.239 -0.229 18858 90 1 3 . 1 1 8 8 THR H H 8 8.079 8.079 7.799 0.280 18858 91 1 3 . 1 1 9 9 SER HA H 9 4.701 4.701 4.671 0.030 18858 92 1 3 . 1 1 9 9 SER H H 9 7.384 7.384 7.641 -0.257 18858 93 1 3 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.087 0.299 18858 94 1 3 . 1 1 10 10 ILE H H 10 7.751 7.751 8.259 -0.508 18858 95 1 3 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.923 0.090 18858 96 1 3 . 1 1 11 11 CYS H H 11 9.481 9.481 8.292 1.189 18858 97 1 3 . 1 1 12 12 SER HA H 12 4.564 4.564 4.796 -0.232 18858 98 1 3 . 1 1 12 12 SER H H 12 8.572 8.572 8.258 0.314 18858 99 1 3 . 1 1 13 13 LEU HA H 13 3.926 3.926 4.087 -0.161 18858 100 1 3 . 1 1 13 13 LEU H H 13 8.635 8.635 8.535 0.100 18858 101 1 3 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.462 -0.343 18858 102 1 3 . 1 1 14 14 TYR H H 14 7.466 7.466 7.207 0.259 18858 103 1 3 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.222 -0.275 18858 104 1 3 . 1 1 15 15 GLN H H 15 7.507 7.507 7.980 -0.473 18858 105 1 3 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.167 -0.055 18858 106 1 3 . 1 1 16 16 LEU H H 16 7.991 7.991 8.755 -0.764 18858 107 1 3 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.053 0.069 18858 108 1 3 . 1 1 17 17 GLU H H 17 8.014 8.014 8.327 -0.313 18858 109 1 3 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.429 -0.017 18858 110 1 3 . 1 1 18 18 ASN H H 18 7.399 7.399 7.819 -0.420 18858 111 1 3 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.706 -0.347 18858 112 1 3 . 1 1 19 19 TYR H H 19 7.846 7.846 7.608 0.238 18858 113 1 3 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.525 0.228 18858 114 1 3 . 1 1 20 20 CYS H H 20 7.363 7.363 7.921 -0.558 18858 115 1 4 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.577 0.311 18858 116 1 4 . 1 1 2 2 ILE H H 2 8.399 8.399 8.442 -0.043 18858 117 1 4 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.592 0.043 18858 118 1 4 . 1 1 3 3 VAL H H 3 7.945 7.945 7.836 0.109 18858 119 1 4 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.166 0.031 18858 120 1 4 . 1 1 4 4 GLU H H 4 8.038 8.038 7.796 0.242 18858 121 1 4 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.293 -0.299 18858 122 1 4 . 1 1 5 5 GLN H H 5 8.207 8.207 7.520 0.687 18858 123 1 4 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.935 -0.094 18858 124 1 4 . 1 1 6 6 CYS H H 6 8.159 8.159 8.499 -0.341 18858 125 1 4 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.447 0.334 18858 126 1 4 . 1 1 7 7 CYS H H 7 8.232 8.232 8.147 0.085 18858 127 1 4 . 1 1 8 8 THR HA H 8 4.010 4.010 4.301 -0.291 18858 128 1 4 . 1 1 8 8 THR H H 8 8.079 8.079 7.948 0.131 18858 129 1 4 . 1 1 9 9 SER HA H 9 4.701 4.701 4.665 0.036 18858 130 1 4 . 1 1 9 9 SER H H 9 7.384 7.384 7.588 -0.204 18858 131 1 4 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.078 0.308 18858 132 1 4 . 1 1 10 10 ILE H H 10 7.751 7.751 8.253 -0.502 18858 133 1 4 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.827 0.186 18858 134 1 4 . 1 1 11 11 CYS H H 11 9.481 9.481 8.428 1.053 18858 135 1 4 . 1 1 12 12 SER HA H 12 4.564 4.564 4.888 -0.324 18858 136 1 4 . 1 1 12 12 SER H H 12 8.572 8.572 8.184 0.388 18858 137 1 4 . 1 1 13 13 LEU HA H 13 3.926 3.926 4.074 -0.148 18858 138 1 4 . 1 1 13 13 LEU H H 13 8.635 8.635 8.635 0.000 18858 139 1 4 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.383 -0.264 18858 140 1 4 . 1 1 14 14 TYR H H 14 7.466 7.466 8.091 -0.625 18858 141 1 4 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.336 -0.389 18858 142 1 4 . 1 1 15 15 GLN H H 15 7.507 7.507 8.203 -0.696 18858 143 1 4 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.229 -0.117 18858 144 1 4 . 1 1 16 16 LEU H H 16 7.991 7.991 8.780 -0.789 18858 145 1 4 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.005 0.117 18858 146 1 4 . 1 1 17 17 GLU H H 17 8.014 8.014 8.209 -0.195 18858 147 1 4 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.398 0.014 18858 148 1 4 . 1 1 18 18 ASN H H 18 7.399 7.399 7.625 -0.226 18858 149 1 4 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.699 -0.340 18858 150 1 4 . 1 1 19 19 TYR H H 19 7.846 7.846 7.599 0.247 18858 151 1 4 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.933 -0.180 18858 152 1 4 . 1 1 20 20 CYS H H 20 7.363 7.363 7.813 -0.450 18858 153 1 5 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.621 0.267 18858 154 1 5 . 1 1 2 2 ILE H H 2 8.399 8.399 8.616 -0.217 18858 155 1 5 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.525 0.110 18858 156 1 5 . 1 1 3 3 VAL H H 3 7.945 7.945 7.873 0.072 18858 157 1 5 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.085 0.112 18858 158 1 5 . 1 1 4 4 GLU H H 4 8.038 8.038 7.977 0.061 18858 159 1 5 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.291 -0.297 18858 160 1 5 . 1 1 5 5 GLN H H 5 8.207 8.207 7.823 0.384 18858 161 1 5 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.895 -0.054 18858 162 1 5 . 1 1 6 6 CYS H H 6 8.159 8.159 8.418 -0.259 18858 163 1 5 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.411 0.370 18858 164 1 5 . 1 1 7 7 CYS H H 7 8.232 8.232 8.094 0.138 18858 165 1 5 . 1 1 8 8 THR HA H 8 4.010 4.010 4.305 -0.295 18858 166 1 5 . 1 1 8 8 THR H H 8 8.079 8.079 7.748 0.331 18858 167 1 5 . 1 1 9 9 SER HA H 9 4.701 4.701 4.680 0.021 18858 168 1 5 . 1 1 9 9 SER H H 9 7.384 7.384 7.608 -0.224 18858 169 1 5 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.010 0.376 18858 170 1 5 . 1 1 10 10 ILE H H 10 7.751 7.751 8.210 -0.459 18858 171 1 5 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.755 0.258 18858 172 1 5 . 1 1 11 11 CYS H H 11 9.481 9.481 8.643 0.838 18858 173 1 5 . 1 1 12 12 SER HA H 12 4.564 4.564 4.770 -0.206 18858 174 1 5 . 1 1 12 12 SER H H 12 8.572 8.572 8.304 0.268 18858 175 1 5 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.884 0.042 18858 176 1 5 . 1 1 13 13 LEU H H 13 8.635 8.635 8.601 0.034 18858 177 1 5 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.302 -0.183 18858 178 1 5 . 1 1 14 14 TYR H H 14 7.466 7.466 7.997 -0.531 18858 179 1 5 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.361 -0.414 18858 180 1 5 . 1 1 15 15 GLN H H 15 7.507 7.507 8.004 -0.497 18858 181 1 5 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.314 -0.202 18858 182 1 5 . 1 1 16 16 LEU H H 16 7.991 7.991 8.821 -0.830 18858 183 1 5 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.060 0.062 18858 184 1 5 . 1 1 17 17 GLU H H 17 8.014 8.014 8.346 -0.332 18858 185 1 5 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.437 -0.025 18858 186 1 5 . 1 1 18 18 ASN H H 18 7.399 7.399 7.640 -0.241 18858 187 1 5 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.628 -0.269 18858 188 1 5 . 1 1 19 19 TYR H H 19 7.846 7.846 7.584 0.262 18858 189 1 5 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.477 0.276 18858 190 1 5 . 1 1 20 20 CYS H H 20 7.363 7.363 7.653 -0.290 18858 191 1 6 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.383 0.505 18858 192 1 6 . 1 1 2 2 ILE H H 2 8.399 8.399 8.055 0.344 18858 193 1 6 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.664 -0.029 18858 194 1 6 . 1 1 3 3 VAL H H 3 7.945 7.945 7.758 0.187 18858 195 1 6 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.190 0.007 18858 196 1 6 . 1 1 4 4 GLU H H 4 8.038 8.038 8.082 -0.044 18858 197 1 6 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.346 -0.352 18858 198 1 6 . 1 1 5 5 GLN H H 5 8.207 8.207 7.939 0.268 18858 199 1 6 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.772 0.069 18858 200 1 6 . 1 1 6 6 CYS H H 6 8.159 8.159 8.436 -0.277 18858 201 1 6 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.369 0.412 18858 202 1 6 . 1 1 7 7 CYS H H 7 8.232 8.232 8.173 0.059 18858 203 1 6 . 1 1 8 8 THR HA H 8 4.010 4.010 4.188 -0.178 18858 204 1 6 . 1 1 8 8 THR H H 8 8.079 8.079 8.000 0.079 18858 205 1 6 . 1 1 9 9 SER HA H 9 4.701 4.701 4.681 0.020 18858 206 1 6 . 1 1 9 9 SER H H 9 7.384 7.384 7.606 -0.222 18858 207 1 6 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.116 0.270 18858 208 1 6 . 1 1 10 10 ILE H H 10 7.751 7.751 8.258 -0.507 18858 209 1 6 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.912 0.101 18858 210 1 6 . 1 1 11 11 CYS H H 11 9.481 9.481 8.350 1.131 18858 211 1 6 . 1 1 12 12 SER HA H 12 4.564 4.564 4.788 -0.224 18858 212 1 6 . 1 1 12 12 SER H H 12 8.572 8.572 8.185 0.387 18858 213 1 6 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.982 -0.056 18858 214 1 6 . 1 1 13 13 LEU H H 13 8.635 8.635 8.691 -0.056 18858 215 1 6 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.424 -0.305 18858 216 1 6 . 1 1 14 14 TYR H H 14 7.466 7.466 7.665 -0.199 18858 217 1 6 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.232 -0.285 18858 218 1 6 . 1 1 15 15 GLN H H 15 7.507 7.507 8.122 -0.615 18858 219 1 6 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.170 -0.058 18858 220 1 6 . 1 1 16 16 LEU H H 16 7.991 7.991 8.755 -0.764 18858 221 1 6 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.072 0.050 18858 222 1 6 . 1 1 17 17 GLU H H 17 8.014 8.014 8.244 -0.230 18858 223 1 6 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.465 -0.052 18858 224 1 6 . 1 1 18 18 ASN H H 18 7.399 7.399 7.758 -0.359 18858 225 1 6 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.705 -0.346 18858 226 1 6 . 1 1 19 19 TYR H H 19 7.846 7.846 7.491 0.355 18858 227 1 6 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.456 0.297 18858 228 1 6 . 1 1 20 20 CYS H H 20 7.363 7.363 8.055 -0.692 18858 229 1 7 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.603 0.285 18858 230 1 7 . 1 1 2 2 ILE H H 2 8.399 8.399 8.401 -0.002 18858 231 1 7 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.493 0.142 18858 232 1 7 . 1 1 3 3 VAL H H 3 7.945 7.945 7.839 0.106 18858 233 1 7 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.230 -0.033 18858 234 1 7 . 1 1 4 4 GLU H H 4 8.038 8.038 7.795 0.243 18858 235 1 7 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.423 -0.429 18858 236 1 7 . 1 1 5 5 GLN H H 5 8.207 8.207 7.955 0.252 18858 237 1 7 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.750 0.091 18858 238 1 7 . 1 1 6 6 CYS H H 6 8.159 8.159 8.593 -0.434 18858 239 1 7 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.479 0.302 18858 240 1 7 . 1 1 7 7 CYS H H 7 8.232 8.232 8.125 0.107 18858 241 1 7 . 1 1 8 8 THR HA H 8 4.010 4.010 4.233 -0.223 18858 242 1 7 . 1 1 8 8 THR H H 8 8.079 8.079 7.918 0.161 18858 243 1 7 . 1 1 9 9 SER HA H 9 4.701 4.701 4.661 0.040 18858 244 1 7 . 1 1 9 9 SER H H 9 7.384 7.384 7.479 -0.095 18858 245 1 7 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.116 0.270 18858 246 1 7 . 1 1 10 10 ILE H H 10 7.751 7.751 8.233 -0.482 18858 247 1 7 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.917 0.096 18858 248 1 7 . 1 1 11 11 CYS H H 11 9.481 9.481 8.481 1.000 18858 249 1 7 . 1 1 12 12 SER HA H 12 4.564 4.564 4.670 -0.106 18858 250 1 7 . 1 1 12 12 SER H H 12 8.572 8.572 8.168 0.404 18858 251 1 7 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.991 -0.065 18858 252 1 7 . 1 1 13 13 LEU H H 13 8.635 8.635 8.604 0.031 18858 253 1 7 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.486 -0.367 18858 254 1 7 . 1 1 14 14 TYR H H 14 7.466 7.466 7.441 0.025 18858 255 1 7 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.416 -0.469 18858 256 1 7 . 1 1 15 15 GLN H H 15 7.507 7.507 8.049 -0.542 18858 257 1 7 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.190 -0.078 18858 258 1 7 . 1 1 16 16 LEU H H 16 7.991 7.991 8.882 -0.891 18858 259 1 7 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.060 0.062 18858 260 1 7 . 1 1 17 17 GLU H H 17 8.014 8.014 8.137 -0.123 18858 261 1 7 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.505 -0.093 18858 262 1 7 . 1 1 18 18 ASN H H 18 7.399 7.399 7.860 -0.461 18858 263 1 7 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.650 -0.291 18858 264 1 7 . 1 1 19 19 TYR H H 19 7.846 7.846 7.694 0.152 18858 265 1 7 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.657 0.096 18858 266 1 7 . 1 1 20 20 CYS H H 20 7.363 7.363 8.039 -0.676 18858 267 1 8 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.576 0.312 18858 268 1 8 . 1 1 2 2 ILE H H 2 8.399 8.399 8.569 -0.170 18858 269 1 8 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.535 0.100 18858 270 1 8 . 1 1 3 3 VAL H H 3 7.945 7.945 7.883 0.062 18858 271 1 8 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.205 -0.008 18858 272 1 8 . 1 1 4 4 GLU H H 4 8.038 8.038 7.844 0.194 18858 273 1 8 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.315 -0.321 18858 274 1 8 . 1 1 5 5 GLN H H 5 8.207 8.207 7.791 0.416 18858 275 1 8 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.937 -0.096 18858 276 1 8 . 1 1 6 6 CYS H H 6 8.159 8.159 8.398 -0.239 18858 277 1 8 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.513 0.268 18858 278 1 8 . 1 1 7 7 CYS H H 7 8.232 8.232 8.104 0.128 18858 279 1 8 . 1 1 8 8 THR HA H 8 4.010 4.010 4.232 -0.222 18858 280 1 8 . 1 1 8 8 THR H H 8 8.079 8.079 7.986 0.093 18858 281 1 8 . 1 1 9 9 SER HA H 9 4.701 4.701 4.689 0.012 18858 282 1 8 . 1 1 9 9 SER H H 9 7.384 7.384 7.517 -0.133 18858 283 1 8 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.087 0.299 18858 284 1 8 . 1 1 10 10 ILE H H 10 7.751 7.751 8.253 -0.502 18858 285 1 8 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.856 0.157 18858 286 1 8 . 1 1 11 11 CYS H H 11 9.481 9.481 8.376 1.105 18858 287 1 8 . 1 1 12 12 SER HA H 12 4.564 4.564 4.916 -0.352 18858 288 1 8 . 1 1 12 12 SER H H 12 8.572 8.572 8.244 0.328 18858 289 1 8 . 1 1 13 13 LEU HA H 13 3.926 3.926 4.041 -0.115 18858 290 1 8 . 1 1 13 13 LEU H H 13 8.635 8.635 8.677 -0.042 18858 291 1 8 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.380 -0.261 18858 292 1 8 . 1 1 14 14 TYR H H 14 7.466 7.466 8.118 -0.652 18858 293 1 8 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.350 -0.403 18858 294 1 8 . 1 1 15 15 GLN H H 15 7.507 7.507 8.104 -0.597 18858 295 1 8 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.234 -0.122 18858 296 1 8 . 1 1 16 16 LEU H H 16 7.991 7.991 8.745 -0.754 18858 297 1 8 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.074 0.048 18858 298 1 8 . 1 1 17 17 GLU H H 17 8.014 8.014 8.285 -0.271 18858 299 1 8 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.492 -0.080 18858 300 1 8 . 1 1 18 18 ASN H H 18 7.399 7.399 7.923 -0.524 18858 301 1 8 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.648 -0.289 18858 302 1 8 . 1 1 19 19 TYR H H 19 7.846 7.846 7.752 0.094 18858 303 1 8 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.591 0.162 18858 304 1 8 . 1 1 20 20 CYS H H 20 7.363 7.363 7.911 -0.548 18858 305 1 9 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.625 0.263 18858 306 1 9 . 1 1 2 2 ILE H H 2 8.399 8.399 8.525 -0.126 18858 307 1 9 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.476 0.159 18858 308 1 9 . 1 1 3 3 VAL H H 3 7.945 7.945 7.882 0.063 18858 309 1 9 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.240 -0.043 18858 310 1 9 . 1 1 4 4 GLU H H 4 8.038 8.038 7.873 0.165 18858 311 1 9 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.304 -0.310 18858 312 1 9 . 1 1 5 5 GLN H H 5 8.207 8.207 7.714 0.493 18858 313 1 9 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.818 0.023 18858 314 1 9 . 1 1 6 6 CYS H H 6 8.159 8.159 8.534 -0.375 18858 315 1 9 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.560 0.221 18858 316 1 9 . 1 1 7 7 CYS H H 7 8.232 8.232 8.190 0.042 18858 317 1 9 . 1 1 8 8 THR HA H 8 4.010 4.010 4.249 -0.239 18858 318 1 9 . 1 1 8 8 THR H H 8 8.079 8.079 7.970 0.109 18858 319 1 9 . 1 1 9 9 SER HA H 9 4.701 4.701 4.658 0.043 18858 320 1 9 . 1 1 9 9 SER H H 9 7.384 7.384 7.560 -0.176 18858 321 1 9 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.093 0.293 18858 322 1 9 . 1 1 10 10 ILE H H 10 7.751 7.751 8.263 -0.512 18858 323 1 9 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.869 0.144 18858 324 1 9 . 1 1 11 11 CYS H H 11 9.481 9.481 8.446 1.035 18858 325 1 9 . 1 1 12 12 SER HA H 12 4.564 4.564 4.861 -0.297 18858 326 1 9 . 1 1 12 12 SER H H 12 8.572 8.572 8.339 0.233 18858 327 1 9 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.974 -0.048 18858 328 1 9 . 1 1 13 13 LEU H H 13 8.635 8.635 8.748 -0.113 18858 329 1 9 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.358 -0.239 18858 330 1 9 . 1 1 14 14 TYR H H 14 7.466 7.466 8.233 -0.767 18858 331 1 9 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.388 -0.441 18858 332 1 9 . 1 1 15 15 GLN H H 15 7.507 7.507 8.092 -0.585 18858 333 1 9 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.201 -0.089 18858 334 1 9 . 1 1 16 16 LEU H H 16 7.991 7.991 8.818 -0.827 18858 335 1 9 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.037 0.085 18858 336 1 9 . 1 1 17 17 GLU H H 17 8.014 8.014 8.316 -0.302 18858 337 1 9 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.475 -0.063 18858 338 1 9 . 1 1 18 18 ASN H H 18 7.399 7.399 7.903 -0.504 18858 339 1 9 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.630 -0.271 18858 340 1 9 . 1 1 19 19 TYR H H 19 7.846 7.846 7.388 0.458 18858 341 1 9 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.616 0.137 18858 342 1 9 . 1 1 20 20 CYS H H 20 7.363 7.363 7.852 -0.489 18858 343 1 10 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.501 0.387 18858 344 1 10 . 1 1 2 2 ILE H H 2 8.399 8.399 7.883 0.516 18858 345 1 10 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.708 -0.073 18858 346 1 10 . 1 1 3 3 VAL H H 3 7.945 7.945 8.065 -0.120 18858 347 1 10 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.144 0.053 18858 348 1 10 . 1 1 4 4 GLU H H 4 8.038 8.038 8.456 -0.418 18858 349 1 10 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.312 -0.318 18858 350 1 10 . 1 1 5 5 GLN H H 5 8.207 8.207 8.101 0.106 18858 351 1 10 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.617 0.224 18858 352 1 10 . 1 1 6 6 CYS H H 6 8.159 8.159 8.313 -0.154 18858 353 1 10 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.332 0.449 18858 354 1 10 . 1 1 7 7 CYS H H 7 8.232 8.232 8.296 -0.064 18858 355 1 10 . 1 1 8 8 THR HA H 8 4.010 4.010 4.394 -0.384 18858 356 1 10 . 1 1 8 8 THR H H 8 8.079 8.079 7.765 0.314 18858 357 1 10 . 1 1 9 9 SER HA H 9 4.701 4.701 4.715 -0.013 18858 358 1 10 . 1 1 9 9 SER H H 9 7.384 7.384 7.637 -0.253 18858 359 1 10 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.197 0.189 18858 360 1 10 . 1 1 10 10 ILE H H 10 7.751 7.751 8.257 -0.506 18858 361 1 10 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.976 0.037 18858 362 1 10 . 1 1 11 11 CYS H H 11 9.481 9.481 8.340 1.141 18858 363 1 10 . 1 1 12 12 SER HA H 12 4.564 4.564 4.755 -0.191 18858 364 1 10 . 1 1 12 12 SER H H 12 8.572 8.572 8.326 0.246 18858 365 1 10 . 1 1 13 13 LEU HA H 13 3.926 3.926 4.063 -0.137 18858 366 1 10 . 1 1 13 13 LEU H H 13 8.635 8.635 8.664 -0.029 18858 367 1 10 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.352 -0.233 18858 368 1 10 . 1 1 14 14 TYR H H 14 7.466 7.466 7.424 0.042 18858 369 1 10 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.203 -0.256 18858 370 1 10 . 1 1 15 15 GLN H H 15 7.507 7.507 7.701 -0.194 18858 371 1 10 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.212 -0.100 18858 372 1 10 . 1 1 16 16 LEU H H 16 7.991 7.991 8.887 -0.896 18858 373 1 10 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.088 0.034 18858 374 1 10 . 1 1 17 17 GLU H H 17 8.014 8.014 8.393 -0.379 18858 375 1 10 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.465 -0.053 18858 376 1 10 . 1 1 18 18 ASN H H 18 7.399 7.399 7.524 -0.125 18858 377 1 10 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.639 -0.280 18858 378 1 10 . 1 1 19 19 TYR H H 19 7.846 7.846 7.361 0.485 18858 379 1 10 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.522 0.231 18858 380 1 10 . 1 1 20 20 CYS H H 20 7.363 7.363 7.617 -0.254 18858 381 1 11 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.262 0.626 18858 382 1 11 . 1 1 2 2 ILE H H 2 8.399 8.399 8.008 0.391 18858 383 1 11 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.553 0.082 18858 384 1 11 . 1 1 3 3 VAL H H 3 7.945 7.945 7.995 -0.050 18858 385 1 11 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.202 -0.005 18858 386 1 11 . 1 1 4 4 GLU H H 4 8.038 8.038 7.971 0.067 18858 387 1 11 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.351 -0.357 18858 388 1 11 . 1 1 5 5 GLN H H 5 8.207 8.207 7.462 0.745 18858 389 1 11 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.751 0.090 18858 390 1 11 . 1 1 6 6 CYS H H 6 8.159 8.159 8.587 -0.428 18858 391 1 11 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.321 0.460 18858 392 1 11 . 1 1 7 7 CYS H H 7 8.232 8.232 8.079 0.153 18858 393 1 11 . 1 1 8 8 THR HA H 8 4.010 4.010 4.274 -0.264 18858 394 1 11 . 1 1 8 8 THR H H 8 8.079 8.079 7.932 0.147 18858 395 1 11 . 1 1 9 9 SER HA H 9 4.701 4.701 4.693 0.008 18858 396 1 11 . 1 1 9 9 SER H H 9 7.384 7.384 7.546 -0.162 18858 397 1 11 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.118 0.268 18858 398 1 11 . 1 1 10 10 ILE H H 10 7.751 7.751 8.255 -0.504 18858 399 1 11 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.924 0.089 18858 400 1 11 . 1 1 11 11 CYS H H 11 9.481 9.481 8.405 1.076 18858 401 1 11 . 1 1 12 12 SER HA H 12 4.564 4.564 4.770 -0.206 18858 402 1 11 . 1 1 12 12 SER H H 12 8.572 8.572 8.109 0.463 18858 403 1 11 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.971 -0.045 18858 404 1 11 . 1 1 13 13 LEU H H 13 8.635 8.635 8.627 0.008 18858 405 1 11 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.479 -0.360 18858 406 1 11 . 1 1 14 14 TYR H H 14 7.466 7.466 7.568 -0.102 18858 407 1 11 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.397 -0.450 18858 408 1 11 . 1 1 15 15 GLN H H 15 7.507 7.507 8.075 -0.568 18858 409 1 11 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.196 -0.084 18858 410 1 11 . 1 1 16 16 LEU H H 16 7.991 7.991 8.818 -0.827 18858 411 1 11 . 1 1 17 17 GLU HA H 17 4.122 4.122 3.989 0.133 18858 412 1 11 . 1 1 17 17 GLU H H 17 8.014 8.014 8.344 -0.330 18858 413 1 11 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.411 0.001 18858 414 1 11 . 1 1 18 18 ASN H H 18 7.399 7.399 7.816 -0.417 18858 415 1 11 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.682 -0.323 18858 416 1 11 . 1 1 19 19 TYR H H 19 7.846 7.846 7.569 0.277 18858 417 1 11 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.496 0.257 18858 418 1 11 . 1 1 20 20 CYS H H 20 7.363 7.363 7.863 -0.500 18858 419 1 12 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.455 0.433 18858 420 1 12 . 1 1 2 2 ILE H H 2 8.399 8.399 7.938 0.461 18858 421 1 12 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.790 -0.155 18858 422 1 12 . 1 1 3 3 VAL H H 3 7.945 7.945 7.763 0.182 18858 423 1 12 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.067 0.130 18858 424 1 12 . 1 1 4 4 GLU H H 4 8.038 8.038 8.684 -0.646 18858 425 1 12 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.444 -0.450 18858 426 1 12 . 1 1 5 5 GLN H H 5 8.207 8.207 7.433 0.774 18858 427 1 12 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.732 0.109 18858 428 1 12 . 1 1 6 6 CYS H H 6 8.159 8.159 8.678 -0.519 18858 429 1 12 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.515 0.266 18858 430 1 12 . 1 1 7 7 CYS H H 7 8.232 8.232 8.078 0.154 18858 431 1 12 . 1 1 8 8 THR HA H 8 4.010 4.010 4.177 -0.167 18858 432 1 12 . 1 1 8 8 THR H H 8 8.079 8.079 8.011 0.068 18858 433 1 12 . 1 1 9 9 SER HA H 9 4.701 4.701 4.677 0.024 18858 434 1 12 . 1 1 9 9 SER H H 9 7.384 7.384 7.651 -0.267 18858 435 1 12 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.322 0.064 18858 436 1 12 . 1 1 10 10 ILE H H 10 7.751 7.751 8.305 -0.554 18858 437 1 12 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.923 0.090 18858 438 1 12 . 1 1 11 11 CYS H H 11 9.481 9.481 8.544 0.937 18858 439 1 12 . 1 1 12 12 SER HA H 12 4.564 4.564 4.974 -0.410 18858 440 1 12 . 1 1 12 12 SER H H 12 8.572 8.572 8.418 0.154 18858 441 1 12 . 1 1 13 13 LEU HA H 13 3.926 3.926 4.081 -0.155 18858 442 1 12 . 1 1 13 13 LEU H H 13 8.635 8.635 8.774 -0.139 18858 443 1 12 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.316 -0.197 18858 444 1 12 . 1 1 14 14 TYR H H 14 7.466 7.466 8.186 -0.720 18858 445 1 12 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.253 -0.306 18858 446 1 12 . 1 1 15 15 GLN H H 15 7.507 7.507 8.037 -0.530 18858 447 1 12 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.139 -0.027 18858 448 1 12 . 1 1 16 16 LEU H H 16 7.991 7.991 8.682 -0.691 18858 449 1 12 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.062 0.060 18858 450 1 12 . 1 1 17 17 GLU H H 17 8.014 8.014 8.290 -0.276 18858 451 1 12 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.462 -0.050 18858 452 1 12 . 1 1 18 18 ASN H H 18 7.399 7.399 7.722 -0.323 18858 453 1 12 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.699 -0.340 18858 454 1 12 . 1 1 19 19 TYR H H 19 7.846 7.846 7.375 0.471 18858 455 1 12 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.457 0.296 18858 456 1 12 . 1 1 20 20 CYS H H 20 7.363 7.363 7.852 -0.489 18858 457 1 13 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.764 0.124 18858 458 1 13 . 1 1 2 2 ILE H H 2 8.399 8.399 8.018 0.381 18858 459 1 13 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.576 0.059 18858 460 1 13 . 1 1 3 3 VAL H H 3 7.945 7.945 7.917 0.028 18858 461 1 13 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.114 0.083 18858 462 1 13 . 1 1 4 4 GLU H H 4 8.038 8.038 8.442 -0.404 18858 463 1 13 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.365 -0.371 18858 464 1 13 . 1 1 5 5 GLN H H 5 8.207 8.207 7.694 0.513 18858 465 1 13 . 1 1 6 6 CYS HA H 6 4.841 4.841 5.018 -0.177 18858 466 1 13 . 1 1 6 6 CYS H H 6 8.159 8.159 8.566 -0.407 18858 467 1 13 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.461 0.320 18858 468 1 13 . 1 1 7 7 CYS H H 7 8.232 8.232 8.057 0.175 18858 469 1 13 . 1 1 8 8 THR HA H 8 4.010 4.010 4.321 -0.311 18858 470 1 13 . 1 1 8 8 THR H H 8 8.079 8.079 7.777 0.302 18858 471 1 13 . 1 1 9 9 SER HA H 9 4.701 4.701 4.696 0.005 18858 472 1 13 . 1 1 9 9 SER H H 9 7.384 7.384 7.574 -0.190 18858 473 1 13 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.133 0.253 18858 474 1 13 . 1 1 10 10 ILE H H 10 7.751 7.751 8.245 -0.493 18858 475 1 13 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.881 0.132 18858 476 1 13 . 1 1 11 11 CYS H H 11 9.481 9.481 8.301 1.180 18858 477 1 13 . 1 1 12 12 SER HA H 12 4.564 4.564 4.813 -0.249 18858 478 1 13 . 1 1 12 12 SER H H 12 8.572 8.572 8.100 0.472 18858 479 1 13 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.911 0.015 18858 480 1 13 . 1 1 13 13 LEU H H 13 8.635 8.635 8.688 -0.054 18858 481 1 13 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.337 -0.218 18858 482 1 13 . 1 1 14 14 TYR H H 14 7.466 7.466 7.720 -0.254 18858 483 1 13 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.313 -0.366 18858 484 1 13 . 1 1 15 15 GLN H H 15 7.507 7.507 8.134 -0.627 18858 485 1 13 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.198 -0.086 18858 486 1 13 . 1 1 16 16 LEU H H 16 7.991 7.991 8.865 -0.874 18858 487 1 13 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.084 0.038 18858 488 1 13 . 1 1 17 17 GLU H H 17 8.014 8.014 8.370 -0.356 18858 489 1 13 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.467 -0.055 18858 490 1 13 . 1 1 18 18 ASN H H 18 7.399 7.399 7.820 -0.421 18858 491 1 13 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.704 -0.345 18858 492 1 13 . 1 1 19 19 TYR H H 19 7.846 7.846 7.526 0.320 18858 493 1 13 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.502 0.251 18858 494 1 13 . 1 1 20 20 CYS H H 20 7.363 7.363 8.005 -0.642 18858 495 1 14 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.724 0.164 18858 496 1 14 . 1 1 2 2 ILE H H 2 8.399 8.399 8.500 -0.101 18858 497 1 14 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.650 -0.015 18858 498 1 14 . 1 1 3 3 VAL H H 3 7.945 7.945 7.997 -0.052 18858 499 1 14 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.010 0.187 18858 500 1 14 . 1 1 4 4 GLU H H 4 8.038 8.038 8.533 -0.495 18858 501 1 14 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.290 -0.296 18858 502 1 14 . 1 1 5 5 GLN H H 5 8.207 8.207 7.871 0.336 18858 503 1 14 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.847 -0.006 18858 504 1 14 . 1 1 6 6 CYS H H 6 8.159 8.159 8.335 -0.176 18858 505 1 14 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.325 0.456 18858 506 1 14 . 1 1 7 7 CYS H H 7 8.232 8.232 8.244 -0.012 18858 507 1 14 . 1 1 8 8 THR HA H 8 4.010 4.010 4.258 -0.248 18858 508 1 14 . 1 1 8 8 THR H H 8 8.079 8.079 7.887 0.192 18858 509 1 14 . 1 1 9 9 SER HA H 9 4.701 4.701 4.690 0.011 18858 510 1 14 . 1 1 9 9 SER H H 9 7.384 7.384 7.809 -0.425 18858 511 1 14 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.009 0.377 18858 512 1 14 . 1 1 10 10 ILE H H 10 7.751 7.751 8.324 -0.573 18858 513 1 14 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.968 0.045 18858 514 1 14 . 1 1 11 11 CYS H H 11 9.481 9.481 8.180 1.301 18858 515 1 14 . 1 1 12 12 SER HA H 12 4.564 4.564 4.653 -0.089 18858 516 1 14 . 1 1 12 12 SER H H 12 8.572 8.572 8.286 0.286 18858 517 1 14 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.993 -0.067 18858 518 1 14 . 1 1 13 13 LEU H H 13 8.635 8.635 8.594 0.041 18858 519 1 14 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.433 -0.314 18858 520 1 14 . 1 1 14 14 TYR H H 14 7.466 7.466 7.398 0.068 18858 521 1 14 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.319 -0.372 18858 522 1 14 . 1 1 15 15 GLN H H 15 7.507 7.507 8.099 -0.592 18858 523 1 14 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.221 -0.109 18858 524 1 14 . 1 1 16 16 LEU H H 16 7.991 7.991 8.944 -0.953 18858 525 1 14 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.122 0.000 18858 526 1 14 . 1 1 17 17 GLU H H 17 8.014 8.014 7.976 0.038 18858 527 1 14 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.494 -0.082 18858 528 1 14 . 1 1 18 18 ASN H H 18 7.399 7.399 8.071 -0.672 18858 529 1 14 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.598 -0.239 18858 530 1 14 . 1 1 19 19 TYR H H 19 7.846 7.846 7.413 0.433 18858 531 1 14 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.458 0.295 18858 532 1 14 . 1 1 20 20 CYS H H 20 7.363 7.363 7.961 -0.598 18858 533 1 15 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.561 0.327 18858 534 1 15 . 1 1 2 2 ILE H H 2 8.399 8.399 8.224 0.175 18858 535 1 15 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.556 0.079 18858 536 1 15 . 1 1 3 3 VAL H H 3 7.945 7.945 7.795 0.150 18858 537 1 15 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.244 -0.047 18858 538 1 15 . 1 1 4 4 GLU H H 4 8.038 8.038 7.732 0.306 18858 539 1 15 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.448 -0.454 18858 540 1 15 . 1 1 5 5 GLN H H 5 8.207 8.207 7.977 0.230 18858 541 1 15 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.939 -0.098 18858 542 1 15 . 1 1 6 6 CYS H H 6 8.159 8.159 8.344 -0.185 18858 543 1 15 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.464 0.317 18858 544 1 15 . 1 1 7 7 CYS H H 7 8.232 8.232 8.262 -0.030 18858 545 1 15 . 1 1 8 8 THR HA H 8 4.010 4.010 4.228 -0.218 18858 546 1 15 . 1 1 8 8 THR H H 8 8.079 8.079 8.260 -0.181 18858 547 1 15 . 1 1 9 9 SER HA H 9 4.701 4.701 4.663 0.038 18858 548 1 15 . 1 1 9 9 SER H H 9 7.384 7.384 7.470 -0.086 18858 549 1 15 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.051 0.335 18858 550 1 15 . 1 1 10 10 ILE H H 10 7.751 7.751 8.255 -0.504 18858 551 1 15 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.786 0.227 18858 552 1 15 . 1 1 11 11 CYS H H 11 9.481 9.481 8.520 0.961 18858 553 1 15 . 1 1 12 12 SER HA H 12 4.564 4.564 4.783 -0.219 18858 554 1 15 . 1 1 12 12 SER H H 12 8.572 8.572 8.343 0.229 18858 555 1 15 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.912 0.014 18858 556 1 15 . 1 1 13 13 LEU H H 13 8.635 8.635 8.687 -0.052 18858 557 1 15 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.463 -0.344 18858 558 1 15 . 1 1 14 14 TYR H H 14 7.466 7.466 7.645 -0.179 18858 559 1 15 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.379 -0.432 18858 560 1 15 . 1 1 15 15 GLN H H 15 7.507 7.507 8.002 -0.495 18858 561 1 15 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.225 -0.113 18858 562 1 15 . 1 1 16 16 LEU H H 16 7.991 7.991 8.820 -0.829 18858 563 1 15 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.061 0.061 18858 564 1 15 . 1 1 17 17 GLU H H 17 8.014 8.014 8.235 -0.221 18858 565 1 15 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.430 -0.018 18858 566 1 15 . 1 1 18 18 ASN H H 18 7.399 7.399 7.863 -0.464 18858 567 1 15 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.705 -0.346 18858 568 1 15 . 1 1 19 19 TYR H H 19 7.846 7.846 7.535 0.311 18858 569 1 15 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.513 0.240 18858 570 1 15 . 1 1 20 20 CYS H H 20 7.363 7.363 7.926 -0.563 18858 571 1 16 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.806 0.082 18858 572 1 16 . 1 1 2 2 ILE H H 2 8.399 8.399 8.025 0.374 18858 573 1 16 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.741 -0.106 18858 574 1 16 . 1 1 3 3 VAL H H 3 7.945 7.945 7.861 0.084 18858 575 1 16 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.154 0.043 18858 576 1 16 . 1 1 4 4 GLU H H 4 8.038 8.038 8.600 -0.562 18858 577 1 16 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.325 -0.331 18858 578 1 16 . 1 1 5 5 GLN H H 5 8.207 8.207 7.811 0.396 18858 579 1 16 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.898 -0.057 18858 580 1 16 . 1 1 6 6 CYS H H 6 8.159 8.159 8.271 -0.112 18858 581 1 16 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.361 0.420 18858 582 1 16 . 1 1 7 7 CYS H H 7 8.232 8.232 8.232 0.000 18858 583 1 16 . 1 1 8 8 THR HA H 8 4.010 4.010 4.290 -0.280 18858 584 1 16 . 1 1 8 8 THR H H 8 8.079 8.079 7.993 0.086 18858 585 1 16 . 1 1 9 9 SER HA H 9 4.701 4.701 4.666 0.035 18858 586 1 16 . 1 1 9 9 SER H H 9 7.384 7.384 7.475 -0.091 18858 587 1 16 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.020 0.366 18858 588 1 16 . 1 1 10 10 ILE H H 10 7.751 7.751 8.229 -0.478 18858 589 1 16 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.800 0.213 18858 590 1 16 . 1 1 11 11 CYS H H 11 9.481 9.481 8.491 0.990 18858 591 1 16 . 1 1 12 12 SER HA H 12 4.564 4.564 4.775 -0.211 18858 592 1 16 . 1 1 12 12 SER H H 12 8.572 8.572 8.246 0.326 18858 593 1 16 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.923 0.003 18858 594 1 16 . 1 1 13 13 LEU H H 13 8.635 8.635 8.653 -0.018 18858 595 1 16 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.492 -0.373 18858 596 1 16 . 1 1 14 14 TYR H H 14 7.466 7.466 7.533 -0.067 18858 597 1 16 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.315 -0.368 18858 598 1 16 . 1 1 15 15 GLN H H 15 7.507 7.507 8.180 -0.673 18858 599 1 16 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.213 -0.101 18858 600 1 16 . 1 1 16 16 LEU H H 16 7.991 7.991 8.861 -0.870 18858 601 1 16 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.074 0.048 18858 602 1 16 . 1 1 17 17 GLU H H 17 8.014 8.014 8.165 -0.151 18858 603 1 16 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.454 -0.042 18858 604 1 16 . 1 1 18 18 ASN H H 18 7.399 7.399 8.024 -0.625 18858 605 1 16 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.706 -0.347 18858 606 1 16 . 1 1 19 19 TYR H H 19 7.846 7.846 7.448 0.398 18858 607 1 16 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.471 0.282 18858 608 1 16 . 1 1 20 20 CYS H H 20 7.363 7.363 8.101 -0.738 18858 609 1 17 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.350 0.538 18858 610 1 17 . 1 1 2 2 ILE H H 2 8.399 8.399 7.956 0.443 18858 611 1 17 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.651 -0.016 18858 612 1 17 . 1 1 3 3 VAL H H 3 7.945 7.945 7.942 0.003 18858 613 1 17 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.157 0.040 18858 614 1 17 . 1 1 4 4 GLU H H 4 8.038 8.038 7.795 0.243 18858 615 1 17 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.508 -0.514 18858 616 1 17 . 1 1 5 5 GLN H H 5 8.207 8.207 7.495 0.712 18858 617 1 17 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.638 0.203 18858 618 1 17 . 1 1 6 6 CYS H H 6 8.159 8.159 8.496 -0.337 18858 619 1 17 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.334 0.447 18858 620 1 17 . 1 1 7 7 CYS H H 7 8.232 8.232 8.136 0.096 18858 621 1 17 . 1 1 8 8 THR HA H 8 4.010 4.010 4.311 -0.301 18858 622 1 17 . 1 1 8 8 THR H H 8 8.079 8.079 7.832 0.247 18858 623 1 17 . 1 1 9 9 SER HA H 9 4.701 4.701 4.669 0.032 18858 624 1 17 . 1 1 9 9 SER H H 9 7.384 7.384 7.424 -0.040 18858 625 1 17 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.152 0.234 18858 626 1 17 . 1 1 10 10 ILE H H 10 7.751 7.751 8.227 -0.476 18858 627 1 17 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.922 0.091 18858 628 1 17 . 1 1 11 11 CYS H H 11 9.481 9.481 8.496 0.985 18858 629 1 17 . 1 1 12 12 SER HA H 12 4.564 4.564 4.779 -0.215 18858 630 1 17 . 1 1 12 12 SER H H 12 8.572 8.572 8.111 0.461 18858 631 1 17 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.964 -0.038 18858 632 1 17 . 1 1 13 13 LEU H H 13 8.635 8.635 8.670 -0.035 18858 633 1 17 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.423 -0.304 18858 634 1 17 . 1 1 14 14 TYR H H 14 7.466 7.466 7.585 -0.119 18858 635 1 17 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.327 -0.380 18858 636 1 17 . 1 1 15 15 GLN H H 15 7.507 7.507 8.032 -0.525 18858 637 1 17 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.147 -0.035 18858 638 1 17 . 1 1 16 16 LEU H H 16 7.991 7.991 8.794 -0.803 18858 639 1 17 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.061 0.061 18858 640 1 17 . 1 1 17 17 GLU H H 17 8.014 8.014 8.259 -0.245 18858 641 1 17 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.453 -0.041 18858 642 1 17 . 1 1 18 18 ASN H H 18 7.399 7.399 7.732 -0.333 18858 643 1 17 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.707 -0.348 18858 644 1 17 . 1 1 19 19 TYR H H 19 7.846 7.846 7.472 0.374 18858 645 1 17 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.483 0.270 18858 646 1 17 . 1 1 20 20 CYS H H 20 7.363 7.363 7.957 -0.595 18858 647 1 18 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.563 0.325 18858 648 1 18 . 1 1 2 2 ILE H H 2 8.399 8.399 7.860 0.539 18858 649 1 18 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.649 -0.014 18858 650 1 18 . 1 1 3 3 VAL H H 3 7.945 7.945 8.010 -0.065 18858 651 1 18 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.322 -0.125 18858 652 1 18 . 1 1 4 4 GLU H H 4 8.038 8.038 8.323 -0.285 18858 653 1 18 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.334 -0.340 18858 654 1 18 . 1 1 5 5 GLN H H 5 8.207 8.207 7.797 0.410 18858 655 1 18 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.895 -0.054 18858 656 1 18 . 1 1 6 6 CYS H H 6 8.159 8.159 8.246 -0.087 18858 657 1 18 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.449 0.332 18858 658 1 18 . 1 1 7 7 CYS H H 7 8.232 8.232 8.164 0.068 18858 659 1 18 . 1 1 8 8 THR HA H 8 4.010 4.010 4.192 -0.182 18858 660 1 18 . 1 1 8 8 THR H H 8 8.079 8.079 7.941 0.138 18858 661 1 18 . 1 1 9 9 SER HA H 9 4.701 4.701 4.698 0.003 18858 662 1 18 . 1 1 9 9 SER H H 9 7.384 7.384 7.590 -0.206 18858 663 1 18 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.103 0.283 18858 664 1 18 . 1 1 10 10 ILE H H 10 7.751 7.751 8.278 -0.527 18858 665 1 18 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.886 0.127 18858 666 1 18 . 1 1 11 11 CYS H H 11 9.481 9.481 8.571 0.910 18858 667 1 18 . 1 1 12 12 SER HA H 12 4.564 4.564 4.592 -0.028 18858 668 1 18 . 1 1 12 12 SER H H 12 8.572 8.572 8.112 0.460 18858 669 1 18 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.987 -0.061 18858 670 1 18 . 1 1 13 13 LEU H H 13 8.635 8.635 8.698 -0.063 18858 671 1 18 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.325 -0.206 18858 672 1 18 . 1 1 14 14 TYR H H 14 7.466 7.466 7.350 0.116 18858 673 1 18 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.138 -0.191 18858 674 1 18 . 1 1 15 15 GLN H H 15 7.507 7.507 7.794 -0.287 18858 675 1 18 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.173 -0.061 18858 676 1 18 . 1 1 16 16 LEU H H 16 7.991 7.991 8.789 -0.798 18858 677 1 18 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.048 0.074 18858 678 1 18 . 1 1 17 17 GLU H H 17 8.014 8.014 8.201 -0.187 18858 679 1 18 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.537 -0.125 18858 680 1 18 . 1 1 18 18 ASN H H 18 7.399 7.399 7.638 -0.239 18858 681 1 18 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.660 -0.301 18858 682 1 18 . 1 1 19 19 TYR H H 19 7.846 7.846 7.515 0.331 18858 683 1 18 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.844 -0.091 18858 684 1 18 . 1 1 20 20 CYS H H 20 7.363 7.363 7.744 -0.381 18858 685 1 19 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.189 0.699 18858 686 1 19 . 1 1 2 2 ILE H H 2 8.399 8.399 7.844 0.555 18858 687 1 19 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.611 0.024 18858 688 1 19 . 1 1 3 3 VAL H H 3 7.945 7.945 8.073 -0.128 18858 689 1 19 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.248 -0.051 18858 690 1 19 . 1 1 4 4 GLU H H 4 8.038 8.038 7.775 0.263 18858 691 1 19 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.420 -0.426 18858 692 1 19 . 1 1 5 5 GLN H H 5 8.207 8.207 7.561 0.646 18858 693 1 19 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.673 0.168 18858 694 1 19 . 1 1 6 6 CYS H H 6 8.159 8.159 8.690 -0.531 18858 695 1 19 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.308 0.473 18858 696 1 19 . 1 1 7 7 CYS H H 7 8.232 8.232 8.102 0.130 18858 697 1 19 . 1 1 8 8 THR HA H 8 4.010 4.010 4.227 -0.217 18858 698 1 19 . 1 1 8 8 THR H H 8 8.079 8.079 7.933 0.146 18858 699 1 19 . 1 1 9 9 SER HA H 9 4.701 4.701 4.696 0.005 18858 700 1 19 . 1 1 9 9 SER H H 9 7.384 7.384 7.533 -0.149 18858 701 1 19 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.151 0.235 18858 702 1 19 . 1 1 10 10 ILE H H 10 7.751 7.751 8.234 -0.483 18858 703 1 19 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.910 0.103 18858 704 1 19 . 1 1 11 11 CYS H H 11 9.481 9.481 8.445 1.036 18858 705 1 19 . 1 1 12 12 SER HA H 12 4.564 4.564 4.860 -0.296 18858 706 1 19 . 1 1 12 12 SER H H 12 8.572 8.572 8.159 0.413 18858 707 1 19 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.975 -0.049 18858 708 1 19 . 1 1 13 13 LEU H H 13 8.635 8.635 8.710 -0.075 18858 709 1 19 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.346 -0.227 18858 710 1 19 . 1 1 14 14 TYR H H 14 7.466 7.466 7.749 -0.283 18858 711 1 19 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.332 -0.385 18858 712 1 19 . 1 1 15 15 GLN H H 15 7.507 7.507 8.004 -0.497 18858 713 1 19 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.158 -0.046 18858 714 1 19 . 1 1 16 16 LEU H H 16 7.991 7.991 8.773 -0.782 18858 715 1 19 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.070 0.052 18858 716 1 19 . 1 1 17 17 GLU H H 17 8.014 8.014 8.207 -0.193 18858 717 1 19 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.446 -0.034 18858 718 1 19 . 1 1 18 18 ASN H H 18 7.399 7.399 7.856 -0.457 18858 719 1 19 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.666 -0.307 18858 720 1 19 . 1 1 19 19 TYR H H 19 7.846 7.846 7.666 0.180 18858 721 1 19 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.507 0.246 18858 722 1 19 . 1 1 20 20 CYS H H 20 7.363 7.363 8.158 -0.795 18858 723 1 20 . 1 1 2 2 ILE HA H 2 3.888 3.888 3.638 0.250 18858 724 1 20 . 1 1 2 2 ILE H H 2 8.399 8.399 8.477 -0.078 18858 725 1 20 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.503 0.132 18858 726 1 20 . 1 1 3 3 VAL H H 3 7.945 7.945 7.868 0.077 18858 727 1 20 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.156 0.041 18858 728 1 20 . 1 1 4 4 GLU H H 4 8.038 8.038 7.935 0.103 18858 729 1 20 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.425 -0.431 18858 730 1 20 . 1 1 5 5 GLN H H 5 8.207 8.207 8.056 0.151 18858 731 1 20 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.900 -0.059 18858 732 1 20 . 1 1 6 6 CYS H H 6 8.159 8.159 8.634 -0.475 18858 733 1 20 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.521 0.260 18858 734 1 20 . 1 1 7 7 CYS H H 7 8.232 8.232 7.969 0.263 18858 735 1 20 . 1 1 8 8 THR HA H 8 4.010 4.010 4.189 -0.179 18858 736 1 20 . 1 1 8 8 THR H H 8 8.079 8.079 7.906 0.173 18858 737 1 20 . 1 1 9 9 SER HA H 9 4.701 4.701 4.672 0.029 18858 738 1 20 . 1 1 9 9 SER H H 9 7.384 7.384 7.730 -0.346 18858 739 1 20 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.002 0.384 18858 740 1 20 . 1 1 10 10 ILE H H 10 7.751 7.751 8.327 -0.576 18858 741 1 20 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.901 0.112 18858 742 1 20 . 1 1 11 11 CYS H H 11 9.481 9.481 8.331 1.150 18858 743 1 20 . 1 1 12 12 SER HA H 12 4.564 4.564 4.917 -0.353 18858 744 1 20 . 1 1 12 12 SER H H 12 8.572 8.572 8.189 0.383 18858 745 1 20 . 1 1 13 13 LEU HA H 13 3.926 3.926 4.115 -0.189 18858 746 1 20 . 1 1 13 13 LEU H H 13 8.635 8.635 8.723 -0.088 18858 747 1 20 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.414 -0.295 18858 748 1 20 . 1 1 14 14 TYR H H 14 7.466 7.466 7.560 -0.094 18858 749 1 20 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.365 -0.418 18858 750 1 20 . 1 1 15 15 GLN H H 15 7.507 7.507 8.069 -0.562 18858 751 1 20 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.214 -0.102 18858 752 1 20 . 1 1 16 16 LEU H H 16 7.991 7.991 8.815 -0.824 18858 753 1 20 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.074 0.048 18858 754 1 20 . 1 1 17 17 GLU H H 17 8.014 8.014 8.077 -0.063 18858 755 1 20 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.480 -0.068 18858 756 1 20 . 1 1 18 18 ASN H H 18 7.399 7.399 8.064 -0.665 18858 757 1 20 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.692 -0.333 18858 758 1 20 . 1 1 19 19 TYR H H 19 7.846 7.846 7.628 0.218 18858 759 1 20 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.501 0.252 18858 760 1 20 . 1 1 20 20 CYS H H 20 7.363 7.363 7.812 -0.449 18858 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 18858 2 1 1 "Average Difference" HA 19 0.233 0.007 0.239 18858 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18858 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18858 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18858 6 1 1 "Average Difference" HN 19 0.419 0.031 0.429 18858 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18858 8 1 2 "Average Difference" HA 19 0.232 0.054 0.232 18858 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18858 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18858 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18858 12 1 2 "Average Difference" HN 19 0.471 0.064 0.479 18858 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18858 14 1 3 "Average Difference" HA 19 0.251 0.009 0.258 18858 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18858 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18858 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18858 18 1 3 "Average Difference" HN 19 0.446 0.012 0.458 18858 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18858 20 1 4 "Average Difference" HA 19 0.235 0.056 0.234 18858 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18858 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18858 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18858 24 1 4 "Average Difference" HN 19 0.464 0.059 0.473 18858 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18858 26 1 5 "Average Difference" HA 19 0.236 0.003 0.243 18858 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18858 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18858 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18858 30 1 5 "Average Difference" HN 19 0.396 0.079 0.398 18858 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18858 32 1 6 "Average Difference" HA 19 0.242 0.008 0.249 18858 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18858 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18858 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18858 36 1 6 "Average Difference" HN 19 0.450 0.061 0.458 18858 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18858 38 1 7 "Average Difference" HA 19 0.230 0.040 0.232 18858 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18858 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18858 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18858 42 1 7 "Average Difference" HN 19 0.433 0.064 0.440 18858 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18858 44 1 8 "Average Difference" HA 19 0.224 0.048 0.225 18858 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18858 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18858 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18858 48 1 8 "Average Difference" HN 19 0.455 0.106 0.455 18858 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18858 50 1 9 "Average Difference" HA 19 0.213 0.035 0.216 18858 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18858 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18858 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18858 54 1 9 "Average Difference" HN 19 0.475 0.115 0.473 18858 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18858 56 1 10 "Average Difference" HA 19 0.231 0.023 0.236 18858 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18858 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18858 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18858 60 1 10 "Average Difference" HN 19 0.434 0.028 0.445 18858 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18858 62 1 11 "Average Difference" HA 19 0.278 0.004 0.286 18858 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18858 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18858 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18858 66 1 11 "Average Difference" HN 19 0.471 0.029 0.483 18858 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18858 68 1 12 "Average Difference" HA 19 0.239 0.041 0.242 18858 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18858 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18858 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18858 72 1 12 "Average Difference" HN 19 0.501 0.103 0.504 18858 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18858 74 1 13 "Average Difference" HA 19 0.219 0.047 0.220 18858 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18858 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18858 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18858 78 1 13 "Average Difference" HN 19 0.502 0.071 0.511 18858 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18858 80 1 14 "Average Difference" HA 19 0.227 0.016 0.232 18858 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18858 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18858 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18858 84 1 14 "Average Difference" HN 19 0.512 0.103 0.516 18858 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18858 86 1 15 "Average Difference" HA 19 0.250 0.034 0.255 18858 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18858 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18858 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18858 90 1 15 "Average Difference" HN 19 0.407 0.075 0.411 18858 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18858 92 1 16 "Average Difference" HA 19 0.241 0.038 0.244 18858 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18858 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18858 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18858 96 1 16 "Average Difference" HN 19 0.475 0.091 0.479 18858 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18858 98 1 17 "Average Difference" HA 19 0.275 0.015 0.282 18858 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18858 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18858 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18858 102 1 17 "Average Difference" HN 19 0.456 -0.003 0.469 18858 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18858 104 1 18 "Average Difference" HA 19 0.190 0.033 0.192 18858 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18858 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18858 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18858 108 1 18 "Average Difference" HN 19 0.399 0.008 0.409 18858 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18858 110 1 19 "Average Difference" HA 19 0.280 0.002 0.288 18858 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18858 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18858 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18858 114 1 19 "Average Difference" HN 19 0.486 0.053 0.496 18858 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18858 116 1 20 "Average Difference" HA 19 0.246 0.048 0.247 18858 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18858 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18858 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18858 120 1 20 "Average Difference" HN 19 0.459 0.090 0.462 18858 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 18858 _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 ILE HA H 2 3.888 3.888 3.542 0.346 18858 2 1 . 1 1 2 2 ILE H H 2 8.399 8.399 8.176 0.223 18858 3 1 . 1 1 3 3 VAL HA H 3 3.635 3.635 3.610 0.025 18858 4 1 . 1 1 3 3 VAL H H 3 7.945 7.945 7.916 0.029 18858 5 1 . 1 1 4 4 GLU HA H 4 4.197 4.197 4.160 0.037 18858 6 1 . 1 1 4 4 GLU H H 4 8.038 8.038 8.121 -0.083 18858 7 1 . 1 1 5 5 GLN HA H 5 3.994 3.994 4.357 -0.363 18858 8 1 . 1 1 5 5 GLN H H 5 8.207 8.207 7.766 0.441 18858 9 1 . 1 1 6 6 CYS HA H 6 4.841 4.841 4.818 0.023 18858 10 1 . 1 1 6 6 CYS H H 6 8.159 8.159 8.457 -0.298 18858 11 1 . 1 1 7 7 CYS HA H 7 4.781 4.781 4.417 0.364 18858 12 1 . 1 1 7 7 CYS H H 7 8.232 8.232 8.147 0.085 18858 13 1 . 1 1 8 8 THR HA H 8 4.010 4.010 4.258 -0.248 18858 14 1 . 1 1 8 8 THR H H 8 8.079 8.079 7.916 0.163 18858 15 1 . 1 1 9 9 SER HA H 9 4.701 4.701 4.682 0.019 18858 16 1 . 1 1 9 9 SER H H 9 7.384 7.384 7.590 -0.206 18858 17 1 . 1 1 10 10 ILE HA H 10 4.386 4.386 4.110 0.276 18858 18 1 . 1 1 10 10 ILE H H 10 7.751 7.751 8.259 -0.508 18858 19 1 . 1 1 11 11 CYS HA H 11 5.013 5.013 4.887 0.126 18858 20 1 . 1 1 11 11 CYS H H 11 9.481 9.481 8.433 1.048 18858 21 1 . 1 1 12 12 SER HA H 12 4.564 4.564 4.794 -0.230 18858 22 1 . 1 1 12 12 SER H H 12 8.572 8.572 8.219 0.353 18858 23 1 . 1 1 13 13 LEU HA H 13 3.926 3.926 3.999 -0.073 18858 24 1 . 1 1 13 13 LEU H H 13 8.635 8.635 8.663 -0.028 18858 25 1 . 1 1 14 14 TYR HA H 14 4.119 4.119 4.404 -0.285 18858 26 1 . 1 1 14 14 TYR H H 14 7.466 7.466 7.668 -0.202 18858 27 1 . 1 1 15 15 GLN HA H 15 3.947 3.947 4.313 -0.366 18858 28 1 . 1 1 15 15 GLN H H 15 7.507 7.507 8.032 -0.525 18858 29 1 . 1 1 16 16 LEU HA H 16 4.112 4.112 4.198 -0.086 18858 30 1 . 1 1 16 16 LEU H H 16 7.991 7.991 8.819 -0.828 18858 31 1 . 1 1 17 17 GLU HA H 17 4.122 4.122 4.061 0.061 18858 32 1 . 1 1 17 17 GLU H H 17 8.014 8.014 8.228 -0.214 18858 33 1 . 1 1 18 18 ASN HA H 18 4.412 4.412 4.459 -0.047 18858 34 1 . 1 1 18 18 ASN H H 18 7.399 7.399 7.818 -0.419 18858 35 1 . 1 1 19 19 TYR HA H 19 4.359 4.359 4.675 -0.316 18858 36 1 . 1 1 19 19 TYR H H 19 7.846 7.846 7.529 0.317 18858 37 1 . 1 1 20 20 CYS HA H 20 4.753 4.753 4.550 0.203 18858 38 1 . 1 1 20 20 CYS H H 20 7.363 7.363 7.890 -0.527 18858 stop_ save_