data_19712 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19712 _Entry.PDB_ID 2MJ9 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 19712 _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 GLY H H 2 8.546 8.546 8.520 0.026 19712 2 1 1 . 1 1 3 3 THR HA H 3 4.288 4.288 4.457 -0.169 19712 3 1 1 . 1 1 3 3 THR H H 3 7.955 7.955 8.654 -0.699 19712 4 1 1 . 1 1 4 4 PHE HA H 4 4.727 4.727 4.095 0.632 19712 5 1 1 . 1 1 4 4 PHE H H 4 8.373 8.373 8.004 0.369 19712 6 1 1 . 1 1 5 5 THR HA H 5 4.324 4.324 3.568 0.756 19712 7 1 1 . 1 1 5 5 THR H H 5 8.058 8.058 7.607 0.451 19712 8 1 1 . 1 1 6 6 SER HA H 6 4.412 4.412 4.859 -0.447 19712 9 1 1 . 1 1 6 6 SER H H 6 8.286 8.286 7.834 0.452 19712 10 1 1 . 1 1 7 7 ASP HA H 7 4.599 4.599 4.902 -0.303 19712 11 1 1 . 1 1 7 7 ASP H H 7 8.387 8.387 8.310 0.077 19712 12 1 1 . 1 1 8 8 LEU HA H 8 4.284 4.284 4.374 -0.090 19712 13 1 1 . 1 1 8 8 LEU H H 8 8.244 8.244 8.395 -0.151 19712 14 1 1 . 1 1 9 9 SER HA H 9 4.291 4.291 4.630 -0.339 19712 15 1 1 . 1 1 9 9 SER H H 9 8.252 8.252 8.503 -0.251 19712 16 1 1 . 1 1 10 10 LYS HA H 10 4.218 4.218 4.841 -0.623 19712 17 1 1 . 1 1 10 10 LYS H H 10 8.093 8.093 7.561 0.532 19712 18 1 1 . 1 1 11 11 GLN HA H 11 4.201 4.201 4.741 -0.540 19712 19 1 1 . 1 1 11 11 GLN H H 11 8.149 8.149 7.736 0.413 19712 20 1 1 . 1 1 12 12 MET HA H 12 4.317 4.317 4.546 -0.229 19712 21 1 1 . 1 1 12 12 MET H H 12 8.196 8.196 8.282 -0.086 19712 22 1 1 . 1 1 13 13 GLU HA H 13 4.128 4.128 4.405 -0.277 19712 23 1 1 . 1 1 13 13 GLU H H 13 8.288 8.288 8.267 0.021 19712 24 1 1 . 1 1 14 14 GLU HA H 14 4.059 4.059 4.907 -0.848 19712 25 1 1 . 1 1 14 14 GLU H H 14 8.322 8.322 7.431 0.891 19712 26 1 1 . 1 1 15 15 GLU HA H 15 4.205 4.205 4.255 -0.050 19712 27 1 1 . 1 1 15 15 GLU H H 15 8.294 8.294 8.424 -0.130 19712 28 1 1 . 1 1 16 16 ALA HA H 16 4.137 4.137 3.977 0.160 19712 29 1 1 . 1 1 16 16 ALA H H 16 8.030 8.030 8.426 -0.396 19712 30 1 1 . 1 1 20 20 TYR HA H 20 4.108 4.108 4.412 -0.304 19712 31 1 1 . 1 1 20 20 TYR H H 20 8.373 8.373 7.906 0.467 19712 32 1 1 . 1 1 21 21 ILE HA H 21 3.633 3.633 4.156 -0.523 19712 33 1 1 . 1 1 21 21 ILE H H 21 8.691 8.691 8.303 0.388 19712 34 1 1 . 1 1 22 22 GLN HA H 22 3.981 3.981 4.099 -0.118 19712 35 1 1 . 1 1 22 22 GLN H H 22 7.885 7.885 7.986 -0.101 19712 36 1 1 . 1 1 23 23 TRP HA H 23 4.188 4.188 3.896 0.292 19712 37 1 1 . 1 1 23 23 TRP H H 23 7.954 7.954 8.689 -0.735 19712 38 1 1 . 1 1 24 24 LEU HA H 24 3.329 3.329 4.056 -0.727 19712 39 1 1 . 1 1 24 24 LEU H H 24 8.488 8.488 7.612 0.876 19712 40 1 1 . 1 1 25 25 LYS HA H 25 3.955 3.955 4.009 -0.054 19712 41 1 1 . 1 1 25 25 LYS H H 25 8.387 8.387 8.775 -0.388 19712 42 1 1 . 1 1 26 26 GLU HA H 26 4.174 4.174 3.683 0.491 19712 43 1 1 . 1 1 26 26 GLU H H 26 7.618 7.618 8.043 -0.425 19712 44 1 1 . 1 1 27 27 GLY H H 27 7.525 7.525 8.228 -0.703 19712 45 1 1 . 1 1 28 28 GLY H H 28 8.225 8.225 7.560 0.665 19712 46 1 1 . 1 1 29 29 PRO HA H 29 4.561 4.561 4.091 0.470 19712 47 1 1 . 1 1 30 30 SER HA H 30 4.442 4.442 2.292 2.150 19712 48 1 1 . 1 1 30 30 SER H H 30 7.737 7.737 8.149 -0.412 19712 49 1 1 . 1 1 31 31 SER HA H 31 4.213 4.213 4.632 -0.419 19712 50 1 1 . 1 1 32 32 GLY H H 32 7.927 7.927 8.223 -0.296 19712 51 1 1 . 1 1 33 33 ARG HA H 33 4.954 4.954 4.158 0.796 19712 52 1 1 . 1 1 33 33 ARG H H 33 8.070 8.070 7.884 0.186 19712 53 1 1 . 1 1 34 34 PRO HA H 34 4.748 4.748 4.385 0.363 19712 54 1 1 . 1 1 35 35 PRO HA H 35 2.664 2.664 5.080 -2.416 19712 55 1 1 . 1 1 36 36 PRO HA H 36 4.314 4.314 4.899 -0.585 19712 56 1 1 . 1 1 37 37 SER HA H 37 4.213 4.213 2.864 1.349 19712 57 1 2 . 1 1 2 2 GLY H H 2 8.546 8.546 8.765 -0.219 19712 58 1 2 . 1 1 3 3 THR HA H 3 4.288 4.288 3.713 0.575 19712 59 1 2 . 1 1 3 3 THR H H 3 7.955 7.955 7.663 0.292 19712 60 1 2 . 1 1 4 4 PHE HA H 4 4.727 4.727 4.066 0.661 19712 61 1 2 . 1 1 4 4 PHE H H 4 8.373 8.373 8.408 -0.035 19712 62 1 2 . 1 1 5 5 THR HA H 5 4.324 4.324 4.409 -0.085 19712 63 1 2 . 1 1 5 5 THR H H 5 8.058 8.058 8.176 -0.118 19712 64 1 2 . 1 1 6 6 SER HA H 6 4.412 4.412 4.833 -0.421 19712 65 1 2 . 1 1 6 6 SER H H 6 8.286 8.286 7.383 0.903 19712 66 1 2 . 1 1 7 7 ASP HA H 7 4.599 4.599 4.903 -0.304 19712 67 1 2 . 1 1 7 7 ASP H H 7 8.387 8.387 8.546 -0.159 19712 68 1 2 . 1 1 8 8 LEU HA H 8 4.284 4.284 4.327 -0.043 19712 69 1 2 . 1 1 8 8 LEU H H 8 8.244 8.244 8.629 -0.385 19712 70 1 2 . 1 1 9 9 SER HA H 9 4.291 4.291 4.727 -0.436 19712 71 1 2 . 1 1 9 9 SER H H 9 8.252 8.252 8.461 -0.209 19712 72 1 2 . 1 1 10 10 LYS HA H 10 4.218 4.218 4.897 -0.679 19712 73 1 2 . 1 1 10 10 LYS H H 10 8.093 8.093 7.716 0.377 19712 74 1 2 . 1 1 11 11 GLN HA H 11 4.201 4.201 4.729 -0.528 19712 75 1 2 . 1 1 11 11 GLN H H 11 8.149 8.149 7.542 0.607 19712 76 1 2 . 1 1 12 12 MET HA H 12 4.317 4.317 4.584 -0.267 19712 77 1 2 . 1 1 12 12 MET H H 12 8.196 8.196 7.841 0.355 19712 78 1 2 . 1 1 13 13 GLU HA H 13 4.128 4.128 4.342 -0.214 19712 79 1 2 . 1 1 13 13 GLU H H 13 8.288 8.288 8.307 -0.019 19712 80 1 2 . 1 1 14 14 GLU HA H 14 4.059 4.059 4.432 -0.373 19712 81 1 2 . 1 1 14 14 GLU H H 14 8.322 8.322 7.921 0.401 19712 82 1 2 . 1 1 15 15 GLU HA H 15 4.205 4.205 4.206 -0.001 19712 83 1 2 . 1 1 15 15 GLU H H 15 8.294 8.294 8.375 -0.081 19712 84 1 2 . 1 1 16 16 ALA HA H 16 4.137 4.137 3.974 0.163 19712 85 1 2 . 1 1 16 16 ALA H H 16 8.030 8.030 8.436 -0.406 19712 86 1 2 . 1 1 20 20 TYR HA H 20 4.108 4.108 4.379 -0.271 19712 87 1 2 . 1 1 20 20 TYR H H 20 8.373 8.373 7.914 0.459 19712 88 1 2 . 1 1 21 21 ILE HA H 21 3.633 3.633 4.177 -0.544 19712 89 1 2 . 1 1 21 21 ILE H H 21 8.691 8.691 8.354 0.337 19712 90 1 2 . 1 1 22 22 GLN HA H 22 3.981 3.981 4.077 -0.096 19712 91 1 2 . 1 1 22 22 GLN H H 22 7.885 7.885 7.962 -0.077 19712 92 1 2 . 1 1 23 23 TRP HA H 23 4.188 4.188 3.880 0.308 19712 93 1 2 . 1 1 23 23 TRP H H 23 7.954 7.954 8.662 -0.708 19712 94 1 2 . 1 1 24 24 LEU HA H 24 3.329 3.329 4.052 -0.723 19712 95 1 2 . 1 1 24 24 LEU H H 24 8.488 8.488 7.609 0.879 19712 96 1 2 . 1 1 25 25 LYS HA H 25 3.955 3.955 4.020 -0.065 19712 97 1 2 . 1 1 25 25 LYS H H 25 8.387 8.387 8.889 -0.502 19712 98 1 2 . 1 1 26 26 GLU HA H 26 4.174 4.174 3.729 0.445 19712 99 1 2 . 1 1 26 26 GLU H H 26 7.618 7.618 8.012 -0.394 19712 100 1 2 . 1 1 27 27 GLY H H 27 7.525 7.525 8.254 -0.729 19712 101 1 2 . 1 1 28 28 GLY H H 28 8.225 8.225 7.464 0.761 19712 102 1 2 . 1 1 29 29 PRO HA H 29 4.561 4.561 4.104 0.458 19712 103 1 2 . 1 1 30 30 SER HA H 30 4.442 4.442 2.308 2.134 19712 104 1 2 . 1 1 30 30 SER H H 30 7.737 7.737 8.144 -0.407 19712 105 1 2 . 1 1 31 31 SER HA H 31 4.213 4.213 4.628 -0.415 19712 106 1 2 . 1 1 32 32 GLY H H 32 7.927 7.927 8.248 -0.321 19712 107 1 2 . 1 1 33 33 ARG HA H 33 4.954 4.954 4.166 0.788 19712 108 1 2 . 1 1 33 33 ARG H H 33 8.070 8.070 7.884 0.186 19712 109 1 2 . 1 1 34 34 PRO HA H 34 4.748 4.748 4.161 0.587 19712 110 1 2 . 1 1 35 35 PRO HA H 35 2.664 2.664 5.014 -2.350 19712 111 1 2 . 1 1 36 36 PRO HA H 36 4.314 4.314 4.708 -0.394 19712 112 1 2 . 1 1 37 37 SER HA H 37 4.213 4.213 2.759 1.454 19712 113 1 3 . 1 1 2 2 GLY H H 2 8.546 8.546 8.503 0.043 19712 114 1 3 . 1 1 3 3 THR HA H 3 4.288 4.288 4.385 -0.097 19712 115 1 3 . 1 1 3 3 THR H H 3 7.955 7.955 8.491 -0.536 19712 116 1 3 . 1 1 4 4 PHE HA H 4 4.727 4.727 4.082 0.645 19712 117 1 3 . 1 1 4 4 PHE H H 4 8.373 8.373 8.302 0.071 19712 118 1 3 . 1 1 5 5 THR HA H 5 4.324 4.324 4.161 0.163 19712 119 1 3 . 1 1 5 5 THR H H 5 8.058 8.058 7.722 0.336 19712 120 1 3 . 1 1 6 6 SER HA H 6 4.412 4.412 4.821 -0.409 19712 121 1 3 . 1 1 6 6 SER H H 6 8.286 8.286 7.137 1.149 19712 122 1 3 . 1 1 7 7 ASP HA H 7 4.599 4.599 4.790 -0.191 19712 123 1 3 . 1 1 7 7 ASP H H 7 8.387 8.387 8.727 -0.340 19712 124 1 3 . 1 1 8 8 LEU HA H 8 4.284 4.284 4.505 -0.221 19712 125 1 3 . 1 1 8 8 LEU H H 8 8.244 8.244 8.141 0.103 19712 126 1 3 . 1 1 9 9 SER HA H 9 4.291 4.291 4.668 -0.377 19712 127 1 3 . 1 1 9 9 SER H H 9 8.252 8.252 8.370 -0.118 19712 128 1 3 . 1 1 10 10 LYS HA H 10 4.218 4.218 4.869 -0.651 19712 129 1 3 . 1 1 10 10 LYS H H 10 8.093 8.093 7.737 0.356 19712 130 1 3 . 1 1 11 11 GLN HA H 11 4.201 4.201 4.680 -0.479 19712 131 1 3 . 1 1 11 11 GLN H H 11 8.149 8.149 7.836 0.313 19712 132 1 3 . 1 1 12 12 MET HA H 12 4.317 4.317 4.672 -0.355 19712 133 1 3 . 1 1 12 12 MET H H 12 8.196 8.196 7.751 0.445 19712 134 1 3 . 1 1 13 13 GLU HA H 13 4.128 4.128 4.464 -0.336 19712 135 1 3 . 1 1 13 13 GLU H H 13 8.288 8.288 8.357 -0.069 19712 136 1 3 . 1 1 14 14 GLU HA H 14 4.059 4.059 4.798 -0.739 19712 137 1 3 . 1 1 14 14 GLU H H 14 8.322 8.322 7.858 0.464 19712 138 1 3 . 1 1 15 15 GLU HA H 15 4.205 4.205 4.227 -0.022 19712 139 1 3 . 1 1 15 15 GLU H H 15 8.294 8.294 8.374 -0.080 19712 140 1 3 . 1 1 16 16 ALA HA H 16 4.137 4.137 3.959 0.178 19712 141 1 3 . 1 1 16 16 ALA H H 16 8.030 8.030 8.470 -0.441 19712 142 1 3 . 1 1 20 20 TYR HA H 20 4.108 4.108 4.399 -0.291 19712 143 1 3 . 1 1 20 20 TYR H H 20 8.373 8.373 7.805 0.568 19712 144 1 3 . 1 1 21 21 ILE HA H 21 3.633 3.633 4.194 -0.561 19712 145 1 3 . 1 1 21 21 ILE H H 21 8.691 8.691 8.345 0.346 19712 146 1 3 . 1 1 22 22 GLN HA H 22 3.981 3.981 4.089 -0.108 19712 147 1 3 . 1 1 22 22 GLN H H 22 7.885 7.885 7.988 -0.103 19712 148 1 3 . 1 1 23 23 TRP HA H 23 4.188 4.188 3.891 0.297 19712 149 1 3 . 1 1 23 23 TRP H H 23 7.954 7.954 8.547 -0.593 19712 150 1 3 . 1 1 24 24 LEU HA H 24 3.329 3.329 4.055 -0.726 19712 151 1 3 . 1 1 24 24 LEU H H 24 8.488 8.488 7.626 0.862 19712 152 1 3 . 1 1 25 25 LYS HA H 25 3.955 3.955 4.007 -0.052 19712 153 1 3 . 1 1 25 25 LYS H H 25 8.387 8.387 8.797 -0.410 19712 154 1 3 . 1 1 26 26 GLU HA H 26 4.174 4.174 3.705 0.469 19712 155 1 3 . 1 1 26 26 GLU H H 26 7.618 7.618 8.084 -0.466 19712 156 1 3 . 1 1 27 27 GLY H H 27 7.525 7.525 8.253 -0.728 19712 157 1 3 . 1 1 28 28 GLY H H 28 8.225 8.225 7.491 0.734 19712 158 1 3 . 1 1 29 29 PRO HA H 29 4.561 4.561 4.143 0.418 19712 159 1 3 . 1 1 30 30 SER HA H 30 4.442 4.442 2.310 2.132 19712 160 1 3 . 1 1 30 30 SER H H 30 7.737 7.737 8.120 -0.383 19712 161 1 3 . 1 1 31 31 SER HA H 31 4.213 4.213 4.629 -0.416 19712 162 1 3 . 1 1 32 32 GLY H H 32 7.927 7.927 8.356 -0.429 19712 163 1 3 . 1 1 33 33 ARG HA H 33 4.954 4.954 4.160 0.794 19712 164 1 3 . 1 1 33 33 ARG H H 33 8.070 8.070 7.979 0.091 19712 165 1 3 . 1 1 34 34 PRO HA H 34 4.748 4.748 4.338 0.410 19712 166 1 3 . 1 1 35 35 PRO HA H 35 2.664 2.664 4.985 -2.321 19712 167 1 3 . 1 1 36 36 PRO HA H 36 4.314 4.314 4.718 -0.404 19712 168 1 3 . 1 1 37 37 SER HA H 37 4.213 4.213 2.718 1.495 19712 169 1 4 . 1 1 2 2 GLY H H 2 8.546 8.546 8.379 0.167 19712 170 1 4 . 1 1 3 3 THR HA H 3 4.288 4.288 4.050 0.238 19712 171 1 4 . 1 1 3 3 THR H H 3 7.955 7.955 8.137 -0.182 19712 172 1 4 . 1 1 4 4 PHE HA H 4 4.727 4.727 4.797 -0.070 19712 173 1 4 . 1 1 4 4 PHE H H 4 8.373 8.373 8.642 -0.269 19712 174 1 4 . 1 1 5 5 THR HA H 5 4.324 4.324 4.437 -0.113 19712 175 1 4 . 1 1 5 5 THR H H 5 8.058 8.058 8.523 -0.465 19712 176 1 4 . 1 1 6 6 SER HA H 6 4.412 4.412 4.582 -0.170 19712 177 1 4 . 1 1 6 6 SER H H 6 8.286 8.286 7.869 0.417 19712 178 1 4 . 1 1 7 7 ASP HA H 7 4.599 4.599 4.633 -0.034 19712 179 1 4 . 1 1 7 7 ASP H H 7 8.387 8.387 6.998 1.389 19712 180 1 4 . 1 1 8 8 LEU HA H 8 4.284 4.284 4.243 0.041 19712 181 1 4 . 1 1 8 8 LEU H H 8 8.244 8.244 8.332 -0.088 19712 182 1 4 . 1 1 9 9 SER HA H 9 4.291 4.291 4.661 -0.370 19712 183 1 4 . 1 1 9 9 SER H H 9 8.252 8.252 8.246 0.006 19712 184 1 4 . 1 1 10 10 LYS HA H 10 4.218 4.218 4.822 -0.604 19712 185 1 4 . 1 1 10 10 LYS H H 10 8.093 8.093 7.642 0.451 19712 186 1 4 . 1 1 11 11 GLN HA H 11 4.201 4.201 4.647 -0.446 19712 187 1 4 . 1 1 11 11 GLN H H 11 8.149 8.149 7.575 0.574 19712 188 1 4 . 1 1 12 12 MET HA H 12 4.317 4.317 4.545 -0.228 19712 189 1 4 . 1 1 12 12 MET H H 12 8.196 8.196 8.166 0.030 19712 190 1 4 . 1 1 13 13 GLU HA H 13 4.128 4.128 4.326 -0.198 19712 191 1 4 . 1 1 13 13 GLU H H 13 8.288 8.288 8.322 -0.034 19712 192 1 4 . 1 1 14 14 GLU HA H 14 4.059 4.059 4.681 -0.622 19712 193 1 4 . 1 1 14 14 GLU H H 14 8.322 8.322 7.969 0.353 19712 194 1 4 . 1 1 15 15 GLU HA H 15 4.205 4.205 4.223 -0.018 19712 195 1 4 . 1 1 15 15 GLU H H 15 8.294 8.294 8.323 -0.029 19712 196 1 4 . 1 1 16 16 ALA HA H 16 4.137 4.137 3.952 0.185 19712 197 1 4 . 1 1 16 16 ALA H H 16 8.030 8.030 8.470 -0.440 19712 198 1 4 . 1 1 20 20 TYR HA H 20 4.108 4.108 4.380 -0.272 19712 199 1 4 . 1 1 20 20 TYR H H 20 8.373 8.373 8.079 0.294 19712 200 1 4 . 1 1 21 21 ILE HA H 21 3.633 3.633 4.188 -0.555 19712 201 1 4 . 1 1 21 21 ILE H H 21 8.691 8.691 8.534 0.157 19712 202 1 4 . 1 1 22 22 GLN HA H 22 3.981 3.981 4.091 -0.110 19712 203 1 4 . 1 1 22 22 GLN H H 22 7.885 7.885 7.987 -0.102 19712 204 1 4 . 1 1 23 23 TRP HA H 23 4.188 4.188 3.951 0.237 19712 205 1 4 . 1 1 23 23 TRP H H 23 7.954 7.954 8.637 -0.683 19712 206 1 4 . 1 1 24 24 LEU HA H 24 3.329 3.329 4.052 -0.723 19712 207 1 4 . 1 1 24 24 LEU H H 24 8.488 8.488 7.536 0.952 19712 208 1 4 . 1 1 25 25 LYS HA H 25 3.955 3.955 4.063 -0.108 19712 209 1 4 . 1 1 25 25 LYS H H 25 8.387 8.387 8.879 -0.492 19712 210 1 4 . 1 1 26 26 GLU HA H 26 4.174 4.174 3.607 0.567 19712 211 1 4 . 1 1 26 26 GLU H H 26 7.618 7.618 7.913 -0.295 19712 212 1 4 . 1 1 27 27 GLY H H 27 7.525 7.525 8.229 -0.704 19712 213 1 4 . 1 1 28 28 GLY H H 28 8.225 8.225 7.693 0.532 19712 214 1 4 . 1 1 29 29 PRO HA H 29 4.561 4.561 4.092 0.469 19712 215 1 4 . 1 1 30 30 SER HA H 30 4.442 4.442 2.290 2.152 19712 216 1 4 . 1 1 30 30 SER H H 30 7.737 7.737 7.948 -0.211 19712 217 1 4 . 1 1 31 31 SER HA H 31 4.213 4.213 4.686 -0.473 19712 218 1 4 . 1 1 32 32 GLY H H 32 7.927 7.927 7.754 0.173 19712 219 1 4 . 1 1 33 33 ARG HA H 33 4.954 4.954 4.426 0.528 19712 220 1 4 . 1 1 33 33 ARG H H 33 8.070 8.070 7.695 0.375 19712 221 1 4 . 1 1 34 34 PRO HA H 34 4.748 4.748 4.144 0.604 19712 222 1 4 . 1 1 35 35 PRO HA H 35 2.664 2.664 4.923 -2.259 19712 223 1 4 . 1 1 36 36 PRO HA H 36 4.314 4.314 4.534 -0.220 19712 224 1 4 . 1 1 37 37 SER HA H 37 4.213 4.213 2.838 1.375 19712 225 1 5 . 1 1 2 2 GLY H H 2 8.546 8.546 7.953 0.593 19712 226 1 5 . 1 1 3 3 THR HA H 3 4.288 4.288 4.592 -0.304 19712 227 1 5 . 1 1 3 3 THR H H 3 7.955 7.955 8.296 -0.341 19712 228 1 5 . 1 1 4 4 PHE HA H 4 4.727 4.727 4.292 0.435 19712 229 1 5 . 1 1 4 4 PHE H H 4 8.373 8.373 8.043 0.330 19712 230 1 5 . 1 1 5 5 THR HA H 5 4.324 4.324 4.613 -0.289 19712 231 1 5 . 1 1 5 5 THR H H 5 8.058 8.058 8.313 -0.255 19712 232 1 5 . 1 1 6 6 SER HA H 6 4.412 4.412 4.500 -0.088 19712 233 1 5 . 1 1 6 6 SER H H 6 8.286 8.286 7.495 0.791 19712 234 1 5 . 1 1 7 7 ASP HA H 7 4.599 4.599 5.056 -0.457 19712 235 1 5 . 1 1 7 7 ASP H H 7 8.387 8.387 7.153 1.234 19712 236 1 5 . 1 1 8 8 LEU HA H 8 4.284 4.284 4.293 -0.009 19712 237 1 5 . 1 1 8 8 LEU H H 8 8.244 8.244 8.585 -0.341 19712 238 1 5 . 1 1 9 9 SER HA H 9 4.291 4.291 4.545 -0.254 19712 239 1 5 . 1 1 9 9 SER H H 9 8.252 8.252 8.373 -0.121 19712 240 1 5 . 1 1 10 10 LYS HA H 10 4.218 4.218 4.816 -0.598 19712 241 1 5 . 1 1 10 10 LYS H H 10 8.093 8.093 7.665 0.428 19712 242 1 5 . 1 1 11 11 GLN HA H 11 4.201 4.201 4.700 -0.499 19712 243 1 5 . 1 1 11 11 GLN H H 11 8.149 8.149 7.555 0.594 19712 244 1 5 . 1 1 12 12 MET HA H 12 4.317 4.317 4.548 -0.231 19712 245 1 5 . 1 1 12 12 MET H H 12 8.196 8.196 8.186 0.010 19712 246 1 5 . 1 1 13 13 GLU HA H 13 4.128 4.128 4.288 -0.160 19712 247 1 5 . 1 1 13 13 GLU H H 13 8.288 8.288 8.237 0.051 19712 248 1 5 . 1 1 14 14 GLU HA H 14 4.059 4.059 4.531 -0.472 19712 249 1 5 . 1 1 14 14 GLU H H 14 8.322 8.322 7.956 0.366 19712 250 1 5 . 1 1 15 15 GLU HA H 15 4.205 4.205 4.200 0.005 19712 251 1 5 . 1 1 15 15 GLU H H 15 8.294 8.294 8.364 -0.070 19712 252 1 5 . 1 1 16 16 ALA HA H 16 4.137 4.137 3.977 0.160 19712 253 1 5 . 1 1 16 16 ALA H H 16 8.030 8.030 8.419 -0.389 19712 254 1 5 . 1 1 20 20 TYR HA H 20 4.108 4.108 4.395 -0.287 19712 255 1 5 . 1 1 20 20 TYR H H 20 8.373 8.373 7.861 0.512 19712 256 1 5 . 1 1 21 21 ILE HA H 21 3.633 3.633 4.145 -0.512 19712 257 1 5 . 1 1 21 21 ILE H H 21 8.691 8.691 8.209 0.482 19712 258 1 5 . 1 1 22 22 GLN HA H 22 3.981 3.981 4.097 -0.116 19712 259 1 5 . 1 1 22 22 GLN H H 22 7.885 7.885 8.014 -0.129 19712 260 1 5 . 1 1 23 23 TRP HA H 23 4.188 4.188 3.913 0.276 19712 261 1 5 . 1 1 23 23 TRP H H 23 7.954 7.954 8.585 -0.631 19712 262 1 5 . 1 1 24 24 LEU HA H 24 3.329 3.329 4.053 -0.724 19712 263 1 5 . 1 1 24 24 LEU H H 24 8.488 8.488 7.620 0.868 19712 264 1 5 . 1 1 25 25 LYS HA H 25 3.955 3.955 4.009 -0.054 19712 265 1 5 . 1 1 25 25 LYS H H 25 8.387 8.387 8.797 -0.410 19712 266 1 5 . 1 1 26 26 GLU HA H 26 4.174 4.174 3.694 0.480 19712 267 1 5 . 1 1 26 26 GLU H H 26 7.618 7.618 8.019 -0.401 19712 268 1 5 . 1 1 27 27 GLY H H 27 7.525 7.525 8.247 -0.722 19712 269 1 5 . 1 1 28 28 GLY H H 28 8.225 8.225 7.519 0.706 19712 270 1 5 . 1 1 29 29 PRO HA H 29 4.561 4.561 4.130 0.431 19712 271 1 5 . 1 1 30 30 SER HA H 30 4.442 4.442 2.362 2.080 19712 272 1 5 . 1 1 30 30 SER H H 30 7.737 7.737 7.914 -0.177 19712 273 1 5 . 1 1 31 31 SER HA H 31 4.213 4.213 4.604 -0.391 19712 274 1 5 . 1 1 32 32 GLY H H 32 7.927 7.927 8.076 -0.149 19712 275 1 5 . 1 1 33 33 ARG HA H 33 4.954 4.954 4.478 0.476 19712 276 1 5 . 1 1 33 33 ARG H H 33 8.070 8.070 7.854 0.216 19712 277 1 5 . 1 1 34 34 PRO HA H 34 4.748 4.748 4.312 0.436 19712 278 1 5 . 1 1 35 35 PRO HA H 35 2.664 2.664 5.213 -2.549 19712 279 1 5 . 1 1 36 36 PRO HA H 36 4.314 4.314 4.855 -0.541 19712 280 1 5 . 1 1 37 37 SER HA H 37 4.213 4.213 2.885 1.328 19712 281 1 6 . 1 1 2 2 GLY H H 2 8.546 8.546 8.466 0.080 19712 282 1 6 . 1 1 3 3 THR HA H 3 4.288 4.288 4.533 -0.245 19712 283 1 6 . 1 1 3 3 THR H H 3 7.955 7.955 8.651 -0.696 19712 284 1 6 . 1 1 4 4 PHE HA H 4 4.727 4.727 4.690 0.037 19712 285 1 6 . 1 1 4 4 PHE H H 4 8.373 8.373 7.960 0.413 19712 286 1 6 . 1 1 5 5 THR HA H 5 4.324 4.324 4.694 -0.370 19712 287 1 6 . 1 1 5 5 THR H H 5 8.058 8.058 8.133 -0.075 19712 288 1 6 . 1 1 6 6 SER HA H 6 4.412 4.412 4.686 -0.274 19712 289 1 6 . 1 1 6 6 SER H H 6 8.286 8.286 8.110 0.176 19712 290 1 6 . 1 1 7 7 ASP HA H 7 4.599 4.599 4.564 0.035 19712 291 1 6 . 1 1 7 7 ASP H H 7 8.387 8.387 6.779 1.608 19712 292 1 6 . 1 1 8 8 LEU HA H 8 4.284 4.284 4.356 -0.072 19712 293 1 6 . 1 1 8 8 LEU H H 8 8.244 8.244 8.395 -0.151 19712 294 1 6 . 1 1 9 9 SER HA H 9 4.291 4.291 4.745 -0.454 19712 295 1 6 . 1 1 9 9 SER H H 9 8.252 8.252 8.118 0.134 19712 296 1 6 . 1 1 10 10 LYS HA H 10 4.218 4.218 4.855 -0.637 19712 297 1 6 . 1 1 10 10 LYS H H 10 8.093 8.093 7.712 0.381 19712 298 1 6 . 1 1 11 11 GLN HA H 11 4.201 4.201 4.666 -0.465 19712 299 1 6 . 1 1 11 11 GLN H H 11 8.149 8.149 7.694 0.455 19712 300 1 6 . 1 1 12 12 MET HA H 12 4.317 4.317 4.576 -0.259 19712 301 1 6 . 1 1 12 12 MET H H 12 8.196 8.196 8.270 -0.074 19712 302 1 6 . 1 1 13 13 GLU HA H 13 4.128 4.128 4.390 -0.262 19712 303 1 6 . 1 1 13 13 GLU H H 13 8.288 8.288 8.270 0.018 19712 304 1 6 . 1 1 14 14 GLU HA H 14 4.059 4.059 4.753 -0.694 19712 305 1 6 . 1 1 14 14 GLU H H 14 8.322 8.322 7.302 1.020 19712 306 1 6 . 1 1 15 15 GLU HA H 15 4.205 4.205 4.201 0.004 19712 307 1 6 . 1 1 15 15 GLU H H 15 8.294 8.294 8.365 -0.071 19712 308 1 6 . 1 1 16 16 ALA HA H 16 4.137 4.137 3.977 0.160 19712 309 1 6 . 1 1 16 16 ALA H H 16 8.030 8.030 8.437 -0.407 19712 310 1 6 . 1 1 20 20 TYR HA H 20 4.108 4.108 4.407 -0.299 19712 311 1 6 . 1 1 20 20 TYR H H 20 8.373 8.373 8.074 0.299 19712 312 1 6 . 1 1 21 21 ILE HA H 21 3.633 3.633 4.195 -0.562 19712 313 1 6 . 1 1 21 21 ILE H H 21 8.691 8.691 8.308 0.383 19712 314 1 6 . 1 1 22 22 GLN HA H 22 3.981 3.981 4.082 -0.101 19712 315 1 6 . 1 1 22 22 GLN H H 22 7.885 7.885 8.006 -0.121 19712 316 1 6 . 1 1 23 23 TRP HA H 23 4.188 4.188 3.910 0.278 19712 317 1 6 . 1 1 23 23 TRP H H 23 7.954 7.954 8.446 -0.492 19712 318 1 6 . 1 1 24 24 LEU HA H 24 3.329 3.329 4.049 -0.720 19712 319 1 6 . 1 1 24 24 LEU H H 24 8.488 8.488 7.631 0.857 19712 320 1 6 . 1 1 25 25 LYS HA H 25 3.955 3.955 4.004 -0.049 19712 321 1 6 . 1 1 25 25 LYS H H 25 8.387 8.387 8.760 -0.373 19712 322 1 6 . 1 1 26 26 GLU HA H 26 4.174 4.174 3.697 0.477 19712 323 1 6 . 1 1 26 26 GLU H H 26 7.618 7.618 8.070 -0.452 19712 324 1 6 . 1 1 27 27 GLY H H 27 7.525 7.525 8.265 -0.740 19712 325 1 6 . 1 1 28 28 GLY H H 28 8.225 8.225 7.490 0.735 19712 326 1 6 . 1 1 29 29 PRO HA H 29 4.561 4.561 4.116 0.445 19712 327 1 6 . 1 1 30 30 SER HA H 30 4.442 4.442 2.289 2.153 19712 328 1 6 . 1 1 30 30 SER H H 30 7.737 7.737 8.172 -0.435 19712 329 1 6 . 1 1 31 31 SER HA H 31 4.213 4.213 4.607 -0.394 19712 330 1 6 . 1 1 32 32 GLY H H 32 7.927 7.927 8.239 -0.312 19712 331 1 6 . 1 1 33 33 ARG HA H 33 4.954 4.954 4.142 0.812 19712 332 1 6 . 1 1 33 33 ARG H H 33 8.070 8.070 7.778 0.292 19712 333 1 6 . 1 1 34 34 PRO HA H 34 4.748 4.748 4.139 0.609 19712 334 1 6 . 1 1 35 35 PRO HA H 35 2.664 2.664 5.188 -2.524 19712 335 1 6 . 1 1 36 36 PRO HA H 36 4.314 4.314 4.872 -0.558 19712 336 1 6 . 1 1 37 37 SER HA H 37 4.213 4.213 2.695 1.518 19712 337 1 7 . 1 1 2 2 GLY H H 2 8.546 8.546 8.109 0.437 19712 338 1 7 . 1 1 3 3 THR HA H 3 4.288 4.288 3.875 0.413 19712 339 1 7 . 1 1 3 3 THR H H 3 7.955 7.955 8.260 -0.305 19712 340 1 7 . 1 1 4 4 PHE HA H 4 4.727 4.727 4.170 0.557 19712 341 1 7 . 1 1 4 4 PHE H H 4 8.373 8.373 8.370 0.003 19712 342 1 7 . 1 1 5 5 THR HA H 5 4.324 4.324 4.261 0.063 19712 343 1 7 . 1 1 5 5 THR H H 5 8.058 8.058 7.689 0.369 19712 344 1 7 . 1 1 6 6 SER HA H 6 4.412 4.412 4.465 -0.053 19712 345 1 7 . 1 1 6 6 SER H H 6 8.286 8.286 7.849 0.437 19712 346 1 7 . 1 1 7 7 ASP HA H 7 4.599 4.599 4.466 0.133 19712 347 1 7 . 1 1 7 7 ASP H H 7 8.387 8.387 8.604 -0.217 19712 348 1 7 . 1 1 8 8 LEU HA H 8 4.284 4.284 3.989 0.295 19712 349 1 7 . 1 1 8 8 LEU H H 8 8.244 8.244 8.399 -0.155 19712 350 1 7 . 1 1 9 9 SER HA H 9 4.291 4.291 4.665 -0.374 19712 351 1 7 . 1 1 9 9 SER H H 9 8.252 8.252 7.940 0.312 19712 352 1 7 . 1 1 10 10 LYS HA H 10 4.218 4.218 4.807 -0.589 19712 353 1 7 . 1 1 10 10 LYS H H 10 8.093 8.093 7.683 0.410 19712 354 1 7 . 1 1 11 11 GLN HA H 11 4.201 4.201 4.599 -0.398 19712 355 1 7 . 1 1 11 11 GLN H H 11 8.149 8.149 7.708 0.441 19712 356 1 7 . 1 1 12 12 MET HA H 12 4.317 4.317 4.627 -0.310 19712 357 1 7 . 1 1 12 12 MET H H 12 8.196 8.196 8.309 -0.113 19712 358 1 7 . 1 1 13 13 GLU HA H 13 4.128 4.128 4.389 -0.261 19712 359 1 7 . 1 1 13 13 GLU H H 13 8.288 8.288 8.112 0.176 19712 360 1 7 . 1 1 14 14 GLU HA H 14 4.059 4.059 4.870 -0.811 19712 361 1 7 . 1 1 14 14 GLU H H 14 8.322 8.322 7.399 0.923 19712 362 1 7 . 1 1 15 15 GLU HA H 15 4.205 4.205 4.212 -0.007 19712 363 1 7 . 1 1 15 15 GLU H H 15 8.294 8.294 8.335 -0.041 19712 364 1 7 . 1 1 16 16 ALA HA H 16 4.137 4.137 3.961 0.176 19712 365 1 7 . 1 1 16 16 ALA H H 16 8.030 8.030 8.490 -0.460 19712 366 1 7 . 1 1 20 20 TYR HA H 20 4.108 4.108 4.377 -0.269 19712 367 1 7 . 1 1 20 20 TYR H H 20 8.373 8.373 8.071 0.302 19712 368 1 7 . 1 1 21 21 ILE HA H 21 3.633 3.633 4.201 -0.568 19712 369 1 7 . 1 1 21 21 ILE H H 21 8.691 8.691 8.456 0.235 19712 370 1 7 . 1 1 22 22 GLN HA H 22 3.981 3.981 4.090 -0.109 19712 371 1 7 . 1 1 22 22 GLN H H 22 7.885 7.885 7.968 -0.083 19712 372 1 7 . 1 1 23 23 TRP HA H 23 4.188 4.188 3.954 0.234 19712 373 1 7 . 1 1 23 23 TRP H H 23 7.954 7.954 8.649 -0.695 19712 374 1 7 . 1 1 24 24 LEU HA H 24 3.329 3.329 4.054 -0.725 19712 375 1 7 . 1 1 24 24 LEU H H 24 8.488 8.488 7.545 0.943 19712 376 1 7 . 1 1 25 25 LYS HA H 25 3.955 3.955 4.051 -0.096 19712 377 1 7 . 1 1 25 25 LYS H H 25 8.387 8.387 8.886 -0.499 19712 378 1 7 . 1 1 26 26 GLU HA H 26 4.174 4.174 3.719 0.455 19712 379 1 7 . 1 1 26 26 GLU H H 26 7.618 7.618 8.016 -0.398 19712 380 1 7 . 1 1 27 27 GLY H H 27 7.525 7.525 8.271 -0.746 19712 381 1 7 . 1 1 28 28 GLY H H 28 8.225 8.225 7.522 0.703 19712 382 1 7 . 1 1 29 29 PRO HA H 29 4.561 4.561 4.138 0.423 19712 383 1 7 . 1 1 30 30 SER HA H 30 4.442 4.442 2.324 2.118 19712 384 1 7 . 1 1 30 30 SER H H 30 7.737 7.737 8.087 -0.350 19712 385 1 7 . 1 1 31 31 SER HA H 31 4.213 4.213 4.603 -0.390 19712 386 1 7 . 1 1 32 32 GLY H H 32 7.927 7.927 8.455 -0.528 19712 387 1 7 . 1 1 33 33 ARG HA H 33 4.954 4.954 4.371 0.583 19712 388 1 7 . 1 1 33 33 ARG H H 33 8.070 8.070 7.603 0.467 19712 389 1 7 . 1 1 34 34 PRO HA H 34 4.748 4.748 4.047 0.701 19712 390 1 7 . 1 1 35 35 PRO HA H 35 2.664 2.664 4.973 -2.309 19712 391 1 7 . 1 1 36 36 PRO HA H 36 4.314 4.314 4.749 -0.435 19712 392 1 7 . 1 1 37 37 SER HA H 37 4.213 4.213 2.508 1.705 19712 393 1 8 . 1 1 2 2 GLY H H 2 8.546 8.546 8.003 0.543 19712 394 1 8 . 1 1 3 3 THR HA H 3 4.288 4.288 4.517 -0.229 19712 395 1 8 . 1 1 3 3 THR H H 3 7.955 7.955 8.231 -0.276 19712 396 1 8 . 1 1 4 4 PHE HA H 4 4.727 4.727 4.517 0.210 19712 397 1 8 . 1 1 4 4 PHE H H 4 8.373 8.373 8.537 -0.164 19712 398 1 8 . 1 1 5 5 THR HA H 5 4.324 4.324 4.171 0.153 19712 399 1 8 . 1 1 5 5 THR H H 5 8.058 8.058 7.743 0.315 19712 400 1 8 . 1 1 6 6 SER HA H 6 4.412 4.412 4.724 -0.312 19712 401 1 8 . 1 1 6 6 SER H H 6 8.286 8.286 7.764 0.522 19712 402 1 8 . 1 1 7 7 ASP HA H 7 4.599 4.599 4.829 -0.230 19712 403 1 8 . 1 1 7 7 ASP H H 7 8.387 8.387 6.725 1.662 19712 404 1 8 . 1 1 8 8 LEU HA H 8 4.284 4.284 4.197 0.087 19712 405 1 8 . 1 1 8 8 LEU H H 8 8.244 8.244 8.310 -0.066 19712 406 1 8 . 1 1 9 9 SER HA H 9 4.291 4.291 4.577 -0.286 19712 407 1 8 . 1 1 9 9 SER H H 9 8.252 8.252 8.505 -0.253 19712 408 1 8 . 1 1 10 10 LYS HA H 10 4.218 4.218 4.802 -0.584 19712 409 1 8 . 1 1 10 10 LYS H H 10 8.093 8.093 7.255 0.839 19712 410 1 8 . 1 1 11 11 GLN HA H 11 4.201 4.201 4.717 -0.516 19712 411 1 8 . 1 1 11 11 GLN H H 11 8.149 8.149 7.623 0.526 19712 412 1 8 . 1 1 12 12 MET HA H 12 4.317 4.317 4.535 -0.218 19712 413 1 8 . 1 1 12 12 MET H H 12 8.196 8.196 8.255 -0.059 19712 414 1 8 . 1 1 13 13 GLU HA H 13 4.128 4.128 4.399 -0.271 19712 415 1 8 . 1 1 13 13 GLU H H 13 8.288 8.288 8.246 0.042 19712 416 1 8 . 1 1 14 14 GLU HA H 14 4.059 4.059 4.786 -0.727 19712 417 1 8 . 1 1 14 14 GLU H H 14 8.322 8.322 7.450 0.872 19712 418 1 8 . 1 1 15 15 GLU HA H 15 4.205 4.205 4.233 -0.028 19712 419 1 8 . 1 1 15 15 GLU H H 15 8.294 8.294 8.345 -0.051 19712 420 1 8 . 1 1 16 16 ALA HA H 16 4.137 4.137 3.935 0.202 19712 421 1 8 . 1 1 16 16 ALA H H 16 8.030 8.030 8.451 -0.421 19712 422 1 8 . 1 1 20 20 TYR HA H 20 4.108 4.108 4.368 -0.260 19712 423 1 8 . 1 1 20 20 TYR H H 20 8.373 8.373 8.099 0.274 19712 424 1 8 . 1 1 21 21 ILE HA H 21 3.633 3.633 4.195 -0.562 19712 425 1 8 . 1 1 21 21 ILE H H 21 8.691 8.691 8.559 0.132 19712 426 1 8 . 1 1 22 22 GLN HA H 22 3.981 3.981 4.093 -0.112 19712 427 1 8 . 1 1 22 22 GLN H H 22 7.885 7.885 7.968 -0.083 19712 428 1 8 . 1 1 23 23 TRP HA H 23 4.188 4.188 3.949 0.239 19712 429 1 8 . 1 1 23 23 TRP H H 23 7.954 7.954 8.669 -0.715 19712 430 1 8 . 1 1 24 24 LEU HA H 24 3.329 3.329 4.055 -0.726 19712 431 1 8 . 1 1 24 24 LEU H H 24 8.488 8.488 7.548 0.940 19712 432 1 8 . 1 1 25 25 LYS HA H 25 3.955 3.955 3.999 -0.044 19712 433 1 8 . 1 1 25 25 LYS H H 25 8.387 8.387 8.797 -0.410 19712 434 1 8 . 1 1 26 26 GLU HA H 26 4.174 4.174 3.726 0.448 19712 435 1 8 . 1 1 26 26 GLU H H 26 7.618 7.618 8.058 -0.440 19712 436 1 8 . 1 1 27 27 GLY H H 27 7.525 7.525 8.276 -0.751 19712 437 1 8 . 1 1 28 28 GLY H H 28 8.225 8.225 7.530 0.695 19712 438 1 8 . 1 1 29 29 PRO HA H 29 4.561 4.561 4.128 0.433 19712 439 1 8 . 1 1 30 30 SER HA H 30 4.442 4.442 2.384 2.058 19712 440 1 8 . 1 1 30 30 SER H H 30 7.737 7.737 8.044 -0.307 19712 441 1 8 . 1 1 31 31 SER HA H 31 4.213 4.213 4.603 -0.390 19712 442 1 8 . 1 1 32 32 GLY H H 32 7.927 7.927 8.072 -0.145 19712 443 1 8 . 1 1 33 33 ARG HA H 33 4.954 4.954 4.430 0.524 19712 444 1 8 . 1 1 33 33 ARG H H 33 8.070 8.070 7.646 0.424 19712 445 1 8 . 1 1 34 34 PRO HA H 34 4.748 4.748 4.078 0.670 19712 446 1 8 . 1 1 35 35 PRO HA H 35 2.664 2.664 4.973 -2.309 19712 447 1 8 . 1 1 36 36 PRO HA H 36 4.314 4.314 4.741 -0.427 19712 448 1 8 . 1 1 37 37 SER HA H 37 4.213 4.213 2.543 1.670 19712 449 1 9 . 1 1 2 2 GLY H H 2 8.546 8.546 8.284 0.262 19712 450 1 9 . 1 1 3 3 THR HA H 3 4.288 4.288 3.808 0.480 19712 451 1 9 . 1 1 3 3 THR H H 3 7.955 7.955 8.585 -0.630 19712 452 1 9 . 1 1 4 4 PHE HA H 4 4.727 4.727 4.096 0.631 19712 453 1 9 . 1 1 4 4 PHE H H 4 8.373 8.373 8.400 -0.027 19712 454 1 9 . 1 1 5 5 THR HA H 5 4.324 4.324 4.287 0.037 19712 455 1 9 . 1 1 5 5 THR H H 5 8.058 8.058 7.599 0.459 19712 456 1 9 . 1 1 6 6 SER HA H 6 4.412 4.412 4.897 -0.485 19712 457 1 9 . 1 1 6 6 SER H H 6 8.286 8.286 7.163 1.123 19712 458 1 9 . 1 1 7 7 ASP HA H 7 4.599 4.599 4.889 -0.290 19712 459 1 9 . 1 1 7 7 ASP H H 7 8.387 8.387 8.027 0.360 19712 460 1 9 . 1 1 8 8 LEU HA H 8 4.284 4.284 4.265 0.019 19712 461 1 9 . 1 1 8 8 LEU H H 8 8.244 8.244 8.435 -0.191 19712 462 1 9 . 1 1 9 9 SER HA H 9 4.291 4.291 4.743 -0.452 19712 463 1 9 . 1 1 9 9 SER H H 9 8.252 8.252 8.385 -0.133 19712 464 1 9 . 1 1 10 10 LYS HA H 10 4.218 4.218 4.683 -0.465 19712 465 1 9 . 1 1 10 10 LYS H H 10 8.093 8.093 7.624 0.469 19712 466 1 9 . 1 1 11 11 GLN HA H 11 4.201 4.201 4.714 -0.513 19712 467 1 9 . 1 1 11 11 GLN H H 11 8.149 8.149 7.697 0.452 19712 468 1 9 . 1 1 12 12 MET HA H 12 4.317 4.317 4.546 -0.229 19712 469 1 9 . 1 1 12 12 MET H H 12 8.196 8.196 8.284 -0.088 19712 470 1 9 . 1 1 13 13 GLU HA H 13 4.128 4.128 4.387 -0.259 19712 471 1 9 . 1 1 13 13 GLU H H 13 8.288 8.288 8.272 0.016 19712 472 1 9 . 1 1 14 14 GLU HA H 14 4.059 4.059 4.864 -0.805 19712 473 1 9 . 1 1 14 14 GLU H H 14 8.322 8.322 7.471 0.851 19712 474 1 9 . 1 1 15 15 GLU HA H 15 4.205 4.205 4.234 -0.029 19712 475 1 9 . 1 1 15 15 GLU H H 15 8.294 8.294 8.340 -0.046 19712 476 1 9 . 1 1 16 16 ALA HA H 16 4.137 4.137 3.992 0.145 19712 477 1 9 . 1 1 16 16 ALA H H 16 8.030 8.030 8.402 -0.372 19712 478 1 9 . 1 1 20 20 TYR HA H 20 4.108 4.108 4.416 -0.308 19712 479 1 9 . 1 1 20 20 TYR H H 20 8.373 8.373 8.218 0.155 19712 480 1 9 . 1 1 21 21 ILE HA H 21 3.633 3.633 4.183 -0.550 19712 481 1 9 . 1 1 21 21 ILE H H 21 8.691 8.691 8.108 0.583 19712 482 1 9 . 1 1 22 22 GLN HA H 22 3.981 3.981 4.089 -0.108 19712 483 1 9 . 1 1 22 22 GLN H H 22 7.885 7.885 7.972 -0.087 19712 484 1 9 . 1 1 23 23 TRP HA H 23 4.188 4.188 3.892 0.296 19712 485 1 9 . 1 1 23 23 TRP H H 23 7.954 7.954 8.512 -0.558 19712 486 1 9 . 1 1 24 24 LEU HA H 24 3.329 3.329 4.056 -0.727 19712 487 1 9 . 1 1 24 24 LEU H H 24 8.488 8.488 7.620 0.868 19712 488 1 9 . 1 1 25 25 LYS HA H 25 3.955 3.955 4.023 -0.068 19712 489 1 9 . 1 1 25 25 LYS H H 25 8.387 8.387 8.835 -0.448 19712 490 1 9 . 1 1 26 26 GLU HA H 26 4.174 4.174 3.696 0.478 19712 491 1 9 . 1 1 26 26 GLU H H 26 7.618 7.618 8.105 -0.487 19712 492 1 9 . 1 1 27 27 GLY H H 27 7.525 7.525 8.246 -0.721 19712 493 1 9 . 1 1 28 28 GLY H H 28 8.225 8.225 7.509 0.716 19712 494 1 9 . 1 1 29 29 PRO HA H 29 4.561 4.561 4.135 0.426 19712 495 1 9 . 1 1 30 30 SER HA H 30 4.442 4.442 2.299 2.143 19712 496 1 9 . 1 1 30 30 SER H H 30 7.737 7.737 8.125 -0.388 19712 497 1 9 . 1 1 31 31 SER HA H 31 4.213 4.213 4.651 -0.438 19712 498 1 9 . 1 1 32 32 GLY H H 32 7.927 7.927 8.243 -0.316 19712 499 1 9 . 1 1 33 33 ARG HA H 33 4.954 4.954 4.131 0.823 19712 500 1 9 . 1 1 33 33 ARG H H 33 8.070 8.070 7.929 0.141 19712 501 1 9 . 1 1 34 34 PRO HA H 34 4.748 4.748 4.192 0.556 19712 502 1 9 . 1 1 35 35 PRO HA H 35 2.664 2.664 5.193 -2.529 19712 503 1 9 . 1 1 36 36 PRO HA H 36 4.314 4.314 4.864 -0.550 19712 504 1 9 . 1 1 37 37 SER HA H 37 4.213 4.213 2.691 1.522 19712 505 1 10 . 1 1 2 2 GLY H H 2 8.546 8.546 8.135 0.411 19712 506 1 10 . 1 1 3 3 THR HA H 3 4.288 4.288 4.617 -0.329 19712 507 1 10 . 1 1 3 3 THR H H 3 7.955 7.955 7.882 0.073 19712 508 1 10 . 1 1 4 4 PHE HA H 4 4.727 4.727 4.485 0.242 19712 509 1 10 . 1 1 4 4 PHE H H 4 8.373 8.373 8.544 -0.171 19712 510 1 10 . 1 1 5 5 THR HA H 5 4.324 4.324 4.529 -0.205 19712 511 1 10 . 1 1 5 5 THR H H 5 8.058 8.058 8.021 0.037 19712 512 1 10 . 1 1 6 6 SER HA H 6 4.412 4.412 4.321 0.091 19712 513 1 10 . 1 1 6 6 SER H H 6 8.286 8.286 8.133 0.153 19712 514 1 10 . 1 1 7 7 ASP HA H 7 4.599 4.599 4.581 0.018 19712 515 1 10 . 1 1 7 7 ASP H H 7 8.387 8.387 8.964 -0.577 19712 516 1 10 . 1 1 8 8 LEU HA H 8 4.284 4.284 4.431 -0.147 19712 517 1 10 . 1 1 8 8 LEU H H 8 8.244 8.244 7.917 0.327 19712 518 1 10 . 1 1 9 9 SER HA H 9 4.291 4.291 4.766 -0.475 19712 519 1 10 . 1 1 9 9 SER H H 9 8.252 8.252 8.152 0.100 19712 520 1 10 . 1 1 10 10 LYS HA H 10 4.218 4.218 4.787 -0.569 19712 521 1 10 . 1 1 10 10 LYS H H 10 8.093 8.093 7.715 0.378 19712 522 1 10 . 1 1 11 11 GLN HA H 11 4.201 4.201 4.723 -0.522 19712 523 1 10 . 1 1 11 11 GLN H H 11 8.149 8.149 7.894 0.255 19712 524 1 10 . 1 1 12 12 MET HA H 12 4.317 4.317 4.552 -0.235 19712 525 1 10 . 1 1 12 12 MET H H 12 8.196 8.196 8.316 -0.120 19712 526 1 10 . 1 1 13 13 GLU HA H 13 4.128 4.128 4.370 -0.242 19712 527 1 10 . 1 1 13 13 GLU H H 13 8.288 8.288 8.260 0.028 19712 528 1 10 . 1 1 14 14 GLU HA H 14 4.059 4.059 4.550 -0.491 19712 529 1 10 . 1 1 14 14 GLU H H 14 8.322 8.322 7.492 0.830 19712 530 1 10 . 1 1 15 15 GLU HA H 15 4.205 4.205 4.243 -0.038 19712 531 1 10 . 1 1 15 15 GLU H H 15 8.294 8.294 8.393 -0.099 19712 532 1 10 . 1 1 16 16 ALA HA H 16 4.137 4.137 3.999 0.138 19712 533 1 10 . 1 1 16 16 ALA H H 16 8.030 8.030 8.440 -0.410 19712 534 1 10 . 1 1 20 20 TYR HA H 20 4.108 4.108 4.396 -0.288 19712 535 1 10 . 1 1 20 20 TYR H H 20 8.373 8.373 7.879 0.494 19712 536 1 10 . 1 1 21 21 ILE HA H 21 3.633 3.633 4.205 -0.572 19712 537 1 10 . 1 1 21 21 ILE H H 21 8.691 8.691 8.277 0.414 19712 538 1 10 . 1 1 22 22 GLN HA H 22 3.981 3.981 4.088 -0.107 19712 539 1 10 . 1 1 22 22 GLN H H 22 7.885 7.885 7.992 -0.107 19712 540 1 10 . 1 1 23 23 TRP HA H 23 4.188 4.188 3.884 0.304 19712 541 1 10 . 1 1 23 23 TRP H H 23 7.954 7.954 8.459 -0.505 19712 542 1 10 . 1 1 24 24 LEU HA H 24 3.329 3.329 4.052 -0.723 19712 543 1 10 . 1 1 24 24 LEU H H 24 8.488 8.488 7.637 0.851 19712 544 1 10 . 1 1 25 25 LYS HA H 25 3.955 3.955 4.006 -0.051 19712 545 1 10 . 1 1 25 25 LYS H H 25 8.387 8.387 8.783 -0.396 19712 546 1 10 . 1 1 26 26 GLU HA H 26 4.174 4.174 3.730 0.444 19712 547 1 10 . 1 1 26 26 GLU H H 26 7.618 7.618 8.058 -0.440 19712 548 1 10 . 1 1 27 27 GLY H H 27 7.525 7.525 8.250 -0.725 19712 549 1 10 . 1 1 28 28 GLY H H 28 8.225 8.225 7.465 0.760 19712 550 1 10 . 1 1 29 29 PRO HA H 29 4.561 4.561 4.133 0.428 19712 551 1 10 . 1 1 30 30 SER HA H 30 4.442 4.442 2.312 2.130 19712 552 1 10 . 1 1 30 30 SER H H 30 7.737 7.737 8.161 -0.424 19712 553 1 10 . 1 1 31 31 SER HA H 31 4.213 4.213 4.665 -0.452 19712 554 1 10 . 1 1 32 32 GLY H H 32 7.927 7.927 8.184 -0.257 19712 555 1 10 . 1 1 33 33 ARG HA H 33 4.954 4.954 4.159 0.795 19712 556 1 10 . 1 1 33 33 ARG H H 33 8.070 8.070 7.909 0.161 19712 557 1 10 . 1 1 34 34 PRO HA H 34 4.748 4.748 4.223 0.525 19712 558 1 10 . 1 1 35 35 PRO HA H 35 2.664 2.664 4.860 -2.196 19712 559 1 10 . 1 1 36 36 PRO HA H 36 4.314 4.314 4.719 -0.405 19712 560 1 10 . 1 1 37 37 SER HA H 37 4.213 4.213 2.724 1.489 19712 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 19712 2 1 1 "Average Difference" HA 37 0.865 0.134 0.866 19712 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19712 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19712 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19712 6 1 1 "Average Difference" HN 27 0.463 -0.038 0.471 19712 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19712 8 1 2 "Average Difference" HA 37 0.851 0.104 0.857 19712 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19712 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19712 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19712 12 1 2 "Average Difference" HN 27 0.454 -0.029 0.462 19712 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19712 14 1 3 "Average Difference" HA 37 0.848 0.120 0.851 19712 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19712 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19712 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19712 18 1 3 "Average Difference" HN 27 0.473 -0.044 0.480 19712 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19712 20 1 4 "Average Difference" HA 37 0.815 0.122 0.817 19712 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19712 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19712 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19712 24 1 4 "Average Difference" HN 27 0.477 -0.070 0.480 19712 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19712 26 1 5 "Average Difference" HA 37 0.836 0.154 0.833 19712 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19712 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19712 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19712 30 1 5 "Average Difference" HN 27 0.504 -0.113 0.501 19712 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19712 32 1 6 "Average Difference" HA 37 0.862 0.153 0.860 19712 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19712 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19712 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19712 36 1 6 "Average Difference" HN 27 0.542 -0.091 0.544 19712 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19712 38 1 7 "Average Difference" HA 37 0.851 0.076 0.859 19712 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19712 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19712 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19712 42 1 7 "Average Difference" HN 27 0.466 -0.058 0.471 19712 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19712 44 1 8 "Average Difference" HA 37 0.833 0.119 0.836 19712 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19712 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19712 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19712 48 1 8 "Average Difference" HN 27 0.568 -0.135 0.563 19712 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19712 50 1 9 "Average Difference" HA 37 0.872 0.114 0.876 19712 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19712 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19712 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19712 54 1 9 "Average Difference" HN 27 0.494 -0.073 0.498 19712 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19712 56 1 10 "Average Difference" HA 37 0.827 0.117 0.830 19712 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19712 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19712 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19712 60 1 10 "Average Difference" HN 27 0.426 -0.039 0.432 19712 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 19712 _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 GLY H H 2 8.546 8.546 8.312 0.234 19712 2 1 . 1 1 3 3 THR HA H 3 4.288 4.288 4.255 0.033 19712 3 1 . 1 1 3 3 THR H H 3 7.955 7.955 8.285 -0.330 19712 4 1 . 1 1 4 4 PHE HA H 4 4.727 4.727 4.329 0.398 19712 5 1 . 1 1 4 4 PHE H H 4 8.373 8.373 8.321 0.052 19712 6 1 . 1 1 5 5 THR HA H 5 4.324 4.324 4.313 0.011 19712 7 1 . 1 1 5 5 THR H H 5 8.058 8.058 7.953 0.105 19712 8 1 . 1 1 6 6 SER HA H 6 4.412 4.412 4.669 -0.257 19712 9 1 . 1 1 6 6 SER H H 6 8.286 8.286 7.674 0.612 19712 10 1 . 1 1 7 7 ASP HA H 7 4.599 4.599 4.761 -0.162 19712 11 1 . 1 1 7 7 ASP H H 7 8.387 8.387 7.883 0.504 19712 12 1 . 1 1 8 8 LEU HA H 8 4.284 4.284 4.298 -0.014 19712 13 1 . 1 1 8 8 LEU H H 8 8.244 8.244 8.354 -0.110 19712 14 1 . 1 1 9 9 SER HA H 9 4.291 4.291 4.673 -0.382 19712 15 1 . 1 1 9 9 SER H H 9 8.252 8.252 8.305 -0.053 19712 16 1 . 1 1 10 10 LYS HA H 10 4.218 4.218 4.818 -0.600 19712 17 1 . 1 1 10 10 LYS H H 10 8.093 8.093 7.631 0.462 19712 18 1 . 1 1 11 11 GLN HA H 11 4.201 4.201 4.692 -0.491 19712 19 1 . 1 1 11 11 GLN H H 11 8.149 8.149 7.686 0.463 19712 20 1 . 1 1 12 12 MET HA H 12 4.317 4.317 4.573 -0.256 19712 21 1 . 1 1 12 12 MET H H 12 8.196 8.196 8.166 0.030 19712 22 1 . 1 1 13 13 GLU HA H 13 4.128 4.128 4.376 -0.248 19712 23 1 . 1 1 13 13 GLU H H 13 8.288 8.288 8.265 0.023 19712 24 1 . 1 1 14 14 GLU HA H 14 4.059 4.059 4.717 -0.658 19712 25 1 . 1 1 14 14 GLU H H 14 8.322 8.322 7.625 0.697 19712 26 1 . 1 1 15 15 GLU HA H 15 4.205 4.205 4.223 -0.018 19712 27 1 . 1 1 15 15 GLU H H 15 8.294 8.294 8.364 -0.070 19712 28 1 . 1 1 16 16 ALA HA H 16 4.137 4.137 3.970 0.167 19712 29 1 . 1 1 16 16 ALA H H 16 8.030 8.030 8.444 -0.414 19712 30 1 . 1 1 20 20 TYR HA H 20 4.108 4.108 4.393 -0.285 19712 31 1 . 1 1 20 20 TYR H H 20 8.373 8.373 7.991 0.382 19712 32 1 . 1 1 21 21 ILE HA H 21 3.633 3.633 4.184 -0.551 19712 33 1 . 1 1 21 21 ILE H H 21 8.691 8.691 8.345 0.346 19712 34 1 . 1 1 22 22 GLN HA H 22 3.981 3.981 4.090 -0.108 19712 35 1 . 1 1 22 22 GLN H H 22 7.885 7.885 7.984 -0.099 19712 36 1 . 1 1 23 23 TRP HA H 23 4.188 4.188 3.912 0.276 19712 37 1 . 1 1 23 23 TRP H H 23 7.954 7.954 8.585 -0.632 19712 38 1 . 1 1 24 24 LEU HA H 24 3.329 3.329 4.053 -0.724 19712 39 1 . 1 1 24 24 LEU H H 24 8.488 8.488 7.598 0.890 19712 40 1 . 1 1 25 25 LYS HA H 25 3.955 3.955 4.019 -0.064 19712 41 1 . 1 1 25 25 LYS H H 25 8.387 8.387 8.820 -0.433 19712 42 1 . 1 1 26 26 GLU HA H 26 4.174 4.174 3.699 0.475 19712 43 1 . 1 1 26 26 GLU H H 26 7.618 7.618 8.038 -0.420 19712 44 1 . 1 1 27 27 GLY H H 27 7.525 7.525 8.252 -0.727 19712 45 1 . 1 1 28 28 GLY H H 28 8.225 8.225 7.524 0.701 19712 46 1 . 1 1 29 29 PRO HA H 29 4.561 4.561 4.121 0.440 19712 47 1 . 1 1 30 30 SER HA H 30 4.442 4.442 2.317 2.125 19712 48 1 . 1 1 30 30 SER H H 30 7.737 7.737 8.086 -0.349 19712 49 1 . 1 1 31 31 SER HA H 31 4.213 4.213 4.631 -0.418 19712 50 1 . 1 1 32 32 GLY H H 32 7.927 7.927 8.185 -0.258 19712 51 1 . 1 1 33 33 ARG HA H 33 4.954 4.954 4.262 0.692 19712 52 1 . 1 1 33 33 ARG H H 33 8.070 8.070 7.816 0.254 19712 53 1 . 1 1 34 34 PRO HA H 34 4.748 4.748 4.202 0.546 19712 54 1 . 1 1 35 35 PRO HA H 35 2.664 2.664 5.040 -2.376 19712 55 1 . 1 1 36 36 PRO HA H 36 4.314 4.314 4.766 -0.452 19712 56 1 . 1 1 37 37 SER HA H 37 4.213 4.213 2.722 1.491 19712 stop_ save_