data_25631 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25631 _Entry.PDB_ID 2N30 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 25631 _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 3 3 GLU HA H 3 4.195 4.195 4.267 -0.072 25631 2 1 1 . 1 1 3 3 GLU H H 3 8.385 8.385 8.788 -0.403 25631 3 1 1 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.418 0.287 25631 4 1 1 . 1 1 4 4 ASP H H 4 8.149 8.149 8.601 -0.452 25631 5 1 1 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.919 -0.409 25631 6 1 1 . 1 1 5 5 LEU H H 5 8.003 8.003 7.705 0.298 25631 7 1 1 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.322 0.004 25631 8 1 1 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.352 0.226 25631 9 1 1 . 1 1 7 7 ASN H H 7 8.013 8.013 8.089 -0.076 25631 10 1 1 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.340 -0.044 25631 11 1 1 . 1 1 8 8 PHE H H 8 8.330 8.330 8.389 -0.059 25631 12 1 1 . 1 1 9 9 GLY H H 9 8.614 8.614 8.282 0.332 25631 13 1 1 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.426 0.014 25631 14 1 1 . 1 1 10 10 HIS H H 10 8.085 8.085 7.272 0.813 25631 15 1 1 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.848 -0.151 25631 16 1 1 . 1 1 11 11 ILE H H 11 7.952 7.952 7.365 0.587 25631 17 1 1 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.760 0.375 25631 18 1 1 . 1 1 12 12 GLN H H 12 8.321 8.321 7.407 0.914 25631 19 1 1 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.577 0.145 25631 20 1 1 . 1 1 13 13 VAL H H 13 8.013 8.013 7.019 0.994 25631 21 1 1 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.098 0.010 25631 22 1 1 . 1 1 14 14 LYS H H 14 7.795 7.795 7.327 0.468 25631 23 1 1 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.780 -0.128 25631 24 1 1 . 1 1 15 15 VAL H H 15 8.431 8.431 7.208 1.223 25631 25 1 1 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.327 -0.060 25631 26 1 1 . 1 1 16 16 PHE H H 16 8.535 8.535 7.394 1.141 25631 27 1 1 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.627 -0.178 25631 28 1 1 . 1 1 17 17 ASN H H 17 8.746 8.746 7.889 0.857 25631 29 1 1 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.321 0.159 25631 30 1 1 . 1 1 18 18 HIS H H 18 8.637 8.637 7.782 0.855 25631 31 1 1 . 1 1 19 19 GLY H H 19 8.694 8.694 7.962 0.732 25631 32 1 1 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.204 -0.274 25631 33 1 1 . 1 1 20 20 GLU H H 20 8.327 8.327 7.544 0.783 25631 34 1 1 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.644 -0.195 25631 35 1 1 . 1 1 21 21 HIS H H 21 8.009 8.009 7.830 0.179 25631 36 1 1 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.190 -0.190 25631 37 1 1 . 1 1 22 22 ILE H H 22 7.817 7.817 7.452 0.365 25631 38 1 1 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.161 0.401 25631 39 1 1 . 1 1 23 23 HIS H H 23 7.997 7.997 7.130 0.867 25631 40 1 2 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.386 -0.191 25631 41 1 2 . 1 1 3 3 GLU H H 3 8.385 8.385 8.608 -0.223 25631 42 1 2 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.607 0.098 25631 43 1 2 . 1 1 4 4 ASP H H 4 8.149 8.149 8.509 -0.360 25631 44 1 2 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.631 -0.121 25631 45 1 2 . 1 1 5 5 LEU H H 5 8.003 8.003 7.417 0.586 25631 46 1 2 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.553 -0.227 25631 47 1 2 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.787 -0.209 25631 48 1 2 . 1 1 7 7 ASN H H 7 8.013 8.013 8.327 -0.314 25631 49 1 2 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.592 -0.296 25631 50 1 2 . 1 1 8 8 PHE H H 8 8.330 8.330 8.410 -0.080 25631 51 1 2 . 1 1 9 9 GLY H H 9 8.614 8.614 8.360 0.254 25631 52 1 2 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.549 -0.109 25631 53 1 2 . 1 1 10 10 HIS H H 10 8.085 8.085 7.914 0.171 25631 54 1 2 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.689 0.008 25631 55 1 2 . 1 1 11 11 ILE H H 11 7.952 7.952 7.434 0.518 25631 56 1 2 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.688 0.447 25631 57 1 2 . 1 1 12 12 GLN H H 12 8.321 8.321 7.336 0.985 25631 58 1 2 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.740 -0.018 25631 59 1 2 . 1 1 13 13 VAL H H 13 8.013 8.013 7.135 0.878 25631 60 1 2 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.089 0.019 25631 61 1 2 . 1 1 14 14 LYS H H 14 7.795 7.795 7.140 0.655 25631 62 1 2 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.760 -0.108 25631 63 1 2 . 1 1 15 15 VAL H H 15 8.431 8.431 7.192 1.239 25631 64 1 2 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.517 -0.250 25631 65 1 2 . 1 1 16 16 PHE H H 16 8.535 8.535 7.460 1.075 25631 66 1 2 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.686 -0.237 25631 67 1 2 . 1 1 17 17 ASN H H 17 8.746 8.746 7.704 1.042 25631 68 1 2 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.594 -0.114 25631 69 1 2 . 1 1 18 18 HIS H H 18 8.637 8.637 7.560 1.077 25631 70 1 2 . 1 1 19 19 GLY H H 19 8.694 8.694 7.882 0.812 25631 71 1 2 . 1 1 20 20 GLU HA H 20 3.930 3.930 3.841 0.089 25631 72 1 2 . 1 1 20 20 GLU H H 20 8.327 8.327 7.997 0.330 25631 73 1 2 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.554 -0.105 25631 74 1 2 . 1 1 21 21 HIS H H 21 8.009 8.009 7.950 0.059 25631 75 1 2 . 1 1 22 22 ILE HA H 22 4.000 4.000 3.560 0.440 25631 76 1 2 . 1 1 22 22 ILE H H 22 7.817 7.817 8.168 -0.351 25631 77 1 2 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.911 -0.349 25631 78 1 2 . 1 1 23 23 HIS H H 23 7.997 7.997 7.922 0.075 25631 79 1 3 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.467 -0.272 25631 80 1 3 . 1 1 3 3 GLU H H 3 8.385 8.385 8.112 0.273 25631 81 1 3 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.694 0.011 25631 82 1 3 . 1 1 4 4 ASP H H 4 8.149 8.149 8.445 -0.296 25631 83 1 3 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.711 -0.201 25631 84 1 3 . 1 1 5 5 LEU H H 5 8.003 8.003 7.149 0.854 25631 85 1 3 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.510 -0.184 25631 86 1 3 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.744 -0.166 25631 87 1 3 . 1 1 7 7 ASN H H 7 8.013 8.013 8.227 -0.214 25631 88 1 3 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.280 0.016 25631 89 1 3 . 1 1 8 8 PHE H H 8 8.330 8.330 7.134 1.196 25631 90 1 3 . 1 1 9 9 GLY H H 9 8.614 8.614 7.941 0.673 25631 91 1 3 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.435 0.005 25631 92 1 3 . 1 1 10 10 HIS H H 10 8.085 8.085 7.981 0.104 25631 93 1 3 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.728 -0.031 25631 94 1 3 . 1 1 11 11 ILE H H 11 7.952 7.952 7.271 0.681 25631 95 1 3 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.762 0.373 25631 96 1 3 . 1 1 12 12 GLN H H 12 8.321 8.321 7.526 0.795 25631 97 1 3 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.656 0.066 25631 98 1 3 . 1 1 13 13 VAL H H 13 8.013 8.013 7.458 0.555 25631 99 1 3 . 1 1 14 14 LYS HA H 14 4.108 4.108 3.978 0.130 25631 100 1 3 . 1 1 14 14 LYS H H 14 7.795 7.795 7.238 0.557 25631 101 1 3 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.774 -0.122 25631 102 1 3 . 1 1 15 15 VAL H H 15 8.431 8.431 7.212 1.219 25631 103 1 3 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.342 -0.075 25631 104 1 3 . 1 1 16 16 PHE H H 16 8.535 8.535 7.404 1.131 25631 105 1 3 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.591 -0.142 25631 106 1 3 . 1 1 17 17 ASN H H 17 8.746 8.746 8.060 0.686 25631 107 1 3 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.397 0.083 25631 108 1 3 . 1 1 18 18 HIS H H 18 8.637 8.637 7.705 0.932 25631 109 1 3 . 1 1 19 19 GLY H H 19 8.694 8.694 8.168 0.526 25631 110 1 3 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.230 -0.300 25631 111 1 3 . 1 1 20 20 GLU H H 20 8.327 8.327 7.541 0.786 25631 112 1 3 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.180 0.269 25631 113 1 3 . 1 1 21 21 HIS H H 21 8.009 8.009 7.997 0.012 25631 114 1 3 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.009 -0.009 25631 115 1 3 . 1 1 22 22 ILE H H 22 7.817 7.817 7.865 -0.048 25631 116 1 3 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.611 -0.049 25631 117 1 3 . 1 1 23 23 HIS H H 23 7.997 7.997 8.096 -0.099 25631 118 1 4 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.198 -0.003 25631 119 1 4 . 1 1 3 3 GLU H H 3 8.385 8.385 8.381 0.004 25631 120 1 4 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.801 -0.096 25631 121 1 4 . 1 1 4 4 ASP H H 4 8.149 8.149 8.339 -0.191 25631 122 1 4 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.564 -0.054 25631 123 1 4 . 1 1 5 5 LEU H H 5 8.003 8.003 7.579 0.424 25631 124 1 4 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.465 -0.139 25631 125 1 4 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.435 0.143 25631 126 1 4 . 1 1 7 7 ASN H H 7 8.013 8.013 7.892 0.121 25631 127 1 4 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.511 -0.215 25631 128 1 4 . 1 1 8 8 PHE H H 8 8.330 8.330 7.825 0.505 25631 129 1 4 . 1 1 9 9 GLY H H 9 8.614 8.614 8.293 0.321 25631 130 1 4 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.520 -0.080 25631 131 1 4 . 1 1 10 10 HIS H H 10 8.085 8.085 7.374 0.711 25631 132 1 4 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.780 -0.083 25631 133 1 4 . 1 1 11 11 ILE H H 11 7.952 7.952 7.399 0.553 25631 134 1 4 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.850 0.285 25631 135 1 4 . 1 1 12 12 GLN H H 12 8.321 8.321 7.488 0.833 25631 136 1 4 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.795 -0.073 25631 137 1 4 . 1 1 13 13 VAL H H 13 8.013 8.013 7.477 0.536 25631 138 1 4 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.144 -0.036 25631 139 1 4 . 1 1 14 14 LYS H H 14 7.795 7.795 7.302 0.493 25631 140 1 4 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.866 -0.214 25631 141 1 4 . 1 1 15 15 VAL H H 15 8.431 8.431 7.395 1.036 25631 142 1 4 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.543 -0.276 25631 143 1 4 . 1 1 16 16 PHE H H 16 8.535 8.535 7.491 1.044 25631 144 1 4 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.728 -0.279 25631 145 1 4 . 1 1 17 17 ASN H H 17 8.746 8.746 7.612 1.134 25631 146 1 4 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.527 -0.047 25631 147 1 4 . 1 1 18 18 HIS H H 18 8.637 8.637 8.170 0.467 25631 148 1 4 . 1 1 19 19 GLY H H 19 8.694 8.694 7.962 0.732 25631 149 1 4 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.094 -0.164 25631 150 1 4 . 1 1 20 20 GLU H H 20 8.327 8.327 8.161 0.166 25631 151 1 4 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.200 0.249 25631 152 1 4 . 1 1 21 21 HIS H H 21 8.009 8.009 7.733 0.276 25631 153 1 4 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.248 -0.248 25631 154 1 4 . 1 1 22 22 ILE H H 22 7.817 7.817 7.535 0.282 25631 155 1 4 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.846 -0.284 25631 156 1 4 . 1 1 23 23 HIS H H 23 7.997 7.997 7.583 0.414 25631 157 1 5 . 1 1 3 3 GLU HA H 3 4.195 4.195 3.840 0.355 25631 158 1 5 . 1 1 3 3 GLU H H 3 8.385 8.385 7.822 0.563 25631 159 1 5 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.731 -0.026 25631 160 1 5 . 1 1 4 4 ASP H H 4 8.149 8.149 8.349 -0.200 25631 161 1 5 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.645 -0.135 25631 162 1 5 . 1 1 5 5 LEU H H 5 8.003 8.003 7.668 0.335 25631 163 1 5 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.374 -0.048 25631 164 1 5 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.338 0.240 25631 165 1 5 . 1 1 7 7 ASN H H 7 8.013 8.013 8.021 -0.008 25631 166 1 5 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.650 -0.354 25631 167 1 5 . 1 1 8 8 PHE H H 8 8.330 8.330 8.054 0.276 25631 168 1 5 . 1 1 9 9 GLY H H 9 8.614 8.614 8.187 0.427 25631 169 1 5 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.614 -0.174 25631 170 1 5 . 1 1 10 10 HIS H H 10 8.085 8.085 7.238 0.847 25631 171 1 5 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.924 -0.227 25631 172 1 5 . 1 1 11 11 ILE H H 11 7.952 7.952 7.744 0.208 25631 173 1 5 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.990 0.145 25631 174 1 5 . 1 1 12 12 GLN H H 12 8.321 8.321 7.780 0.541 25631 175 1 5 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.858 -0.136 25631 176 1 5 . 1 1 13 13 VAL H H 13 8.013 8.013 7.383 0.630 25631 177 1 5 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.178 -0.070 25631 178 1 5 . 1 1 14 14 LYS H H 14 7.795 7.795 7.391 0.404 25631 179 1 5 . 1 1 15 15 VAL HA H 15 3.652 3.652 4.007 -0.355 25631 180 1 5 . 1 1 15 15 VAL H H 15 8.431 8.431 7.670 0.761 25631 181 1 5 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.410 -0.143 25631 182 1 5 . 1 1 16 16 PHE H H 16 8.535 8.535 8.044 0.491 25631 183 1 5 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.507 -0.058 25631 184 1 5 . 1 1 17 17 ASN H H 17 8.746 8.746 8.088 0.658 25631 185 1 5 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.440 0.040 25631 186 1 5 . 1 1 18 18 HIS H H 18 8.637 8.637 7.721 0.916 25631 187 1 5 . 1 1 19 19 GLY H H 19 8.694 8.694 7.681 1.013 25631 188 1 5 . 1 1 20 20 GLU HA H 20 3.930 3.930 3.594 0.336 25631 189 1 5 . 1 1 20 20 GLU H H 20 8.327 8.327 7.550 0.777 25631 190 1 5 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.558 -0.109 25631 191 1 5 . 1 1 21 21 HIS H H 21 8.009 8.009 6.617 1.392 25631 192 1 5 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.178 -0.178 25631 193 1 5 . 1 1 22 22 ILE H H 22 7.817 7.817 8.298 -0.481 25631 194 1 5 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.913 -0.351 25631 195 1 5 . 1 1 23 23 HIS H H 23 7.997 7.997 8.033 -0.036 25631 196 1 6 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.099 0.096 25631 197 1 6 . 1 1 3 3 GLU H H 3 8.385 8.385 8.864 -0.479 25631 198 1 6 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.939 -0.234 25631 199 1 6 . 1 1 4 4 ASP H H 4 8.149 8.149 8.446 -0.297 25631 200 1 6 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.766 -0.256 25631 201 1 6 . 1 1 5 5 LEU H H 5 8.003 8.003 7.707 0.296 25631 202 1 6 . 1 1 6 6 PRO HA H 6 4.326 4.326 3.348 0.978 25631 203 1 6 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.214 0.364 25631 204 1 6 . 1 1 7 7 ASN H H 7 8.013 8.013 7.681 0.332 25631 205 1 6 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.589 -0.293 25631 206 1 6 . 1 1 8 8 PHE H H 8 8.330 8.330 7.535 0.795 25631 207 1 6 . 1 1 9 9 GLY H H 9 8.614 8.614 7.503 1.111 25631 208 1 6 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.421 0.019 25631 209 1 6 . 1 1 10 10 HIS H H 10 8.085 8.085 7.226 0.859 25631 210 1 6 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.803 -0.106 25631 211 1 6 . 1 1 11 11 ILE H H 11 7.952 7.952 7.748 0.204 25631 212 1 6 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.941 0.194 25631 213 1 6 . 1 1 12 12 GLN H H 12 8.321 8.321 7.974 0.347 25631 214 1 6 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.694 0.028 25631 215 1 6 . 1 1 13 13 VAL H H 13 8.013 8.013 7.617 0.396 25631 216 1 6 . 1 1 14 14 LYS HA H 14 4.108 4.108 3.942 0.166 25631 217 1 6 . 1 1 14 14 LYS H H 14 7.795 7.795 7.387 0.408 25631 218 1 6 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.580 0.072 25631 219 1 6 . 1 1 15 15 VAL H H 15 8.431 8.431 6.961 1.470 25631 220 1 6 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.316 -0.049 25631 221 1 6 . 1 1 16 16 PHE H H 16 8.535 8.535 6.877 1.658 25631 222 1 6 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.653 -0.204 25631 223 1 6 . 1 1 17 17 ASN H H 17 8.746 8.746 7.972 0.774 25631 224 1 6 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.282 0.198 25631 225 1 6 . 1 1 18 18 HIS H H 18 8.637 8.637 7.359 1.278 25631 226 1 6 . 1 1 19 19 GLY H H 19 8.694 8.694 7.530 1.164 25631 227 1 6 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.344 -0.414 25631 228 1 6 . 1 1 20 20 GLU H H 20 8.327 8.327 7.623 0.704 25631 229 1 6 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.440 0.009 25631 230 1 6 . 1 1 21 21 HIS H H 21 8.009 8.009 7.462 0.547 25631 231 1 6 . 1 1 22 22 ILE HA H 22 4.000 4.000 3.995 0.005 25631 232 1 6 . 1 1 22 22 ILE H H 22 7.817 7.817 8.171 -0.354 25631 233 1 6 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.890 -0.328 25631 234 1 6 . 1 1 23 23 HIS H H 23 7.997 7.997 7.795 0.202 25631 235 1 7 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.403 -0.208 25631 236 1 7 . 1 1 3 3 GLU H H 3 8.385 8.385 8.392 -0.007 25631 237 1 7 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.548 0.157 25631 238 1 7 . 1 1 4 4 ASP H H 4 8.149 8.149 8.469 -0.320 25631 239 1 7 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.743 -0.233 25631 240 1 7 . 1 1 5 5 LEU H H 5 8.003 8.003 7.615 0.388 25631 241 1 7 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.534 -0.208 25631 242 1 7 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.529 0.049 25631 243 1 7 . 1 1 7 7 ASN H H 7 8.013 8.013 7.777 0.236 25631 244 1 7 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.553 -0.257 25631 245 1 7 . 1 1 8 8 PHE H H 8 8.330 8.330 7.956 0.374 25631 246 1 7 . 1 1 9 9 GLY H H 9 8.614 8.614 8.382 0.232 25631 247 1 7 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.631 -0.191 25631 248 1 7 . 1 1 10 10 HIS H H 10 8.085 8.085 7.260 0.825 25631 249 1 7 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.912 -0.215 25631 250 1 7 . 1 1 11 11 ILE H H 11 7.952 7.952 7.480 0.472 25631 251 1 7 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.994 0.141 25631 252 1 7 . 1 1 12 12 GLN H H 12 8.321 8.321 7.471 0.850 25631 253 1 7 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.905 -0.183 25631 254 1 7 . 1 1 13 13 VAL H H 13 8.013 8.013 7.345 0.668 25631 255 1 7 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.195 -0.087 25631 256 1 7 . 1 1 14 14 LYS H H 14 7.795 7.795 7.396 0.399 25631 257 1 7 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.879 -0.227 25631 258 1 7 . 1 1 15 15 VAL H H 15 8.431 8.431 7.415 1.016 25631 259 1 7 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.630 -0.363 25631 260 1 7 . 1 1 16 16 PHE H H 16 8.535 8.535 8.087 0.448 25631 261 1 7 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.561 -0.112 25631 262 1 7 . 1 1 17 17 ASN H H 17 8.746 8.746 7.979 0.767 25631 263 1 7 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.376 0.104 25631 264 1 7 . 1 1 18 18 HIS H H 18 8.637 8.637 7.804 0.833 25631 265 1 7 . 1 1 19 19 GLY H H 19 8.694 8.694 7.590 1.104 25631 266 1 7 . 1 1 20 20 GLU HA H 20 3.930 3.930 3.591 0.339 25631 267 1 7 . 1 1 20 20 GLU H H 20 8.327 8.327 7.489 0.838 25631 268 1 7 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.519 -0.070 25631 269 1 7 . 1 1 21 21 HIS H H 21 8.009 8.009 6.985 1.024 25631 270 1 7 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.208 -0.208 25631 271 1 7 . 1 1 22 22 ILE H H 22 7.817 7.817 8.367 -0.550 25631 272 1 7 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.648 -0.086 25631 273 1 7 . 1 1 23 23 HIS H H 23 7.997 7.997 7.937 0.060 25631 274 1 8 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.403 -0.208 25631 275 1 8 . 1 1 3 3 GLU H H 3 8.385 8.385 7.914 0.471 25631 276 1 8 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.405 0.300 25631 277 1 8 . 1 1 4 4 ASP H H 4 8.149 8.149 8.280 -0.131 25631 278 1 8 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.684 -0.174 25631 279 1 8 . 1 1 5 5 LEU H H 5 8.003 8.003 7.881 0.122 25631 280 1 8 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.403 -0.077 25631 281 1 8 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.656 -0.078 25631 282 1 8 . 1 1 7 7 ASN H H 7 8.013 8.013 8.328 -0.315 25631 283 1 8 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.519 -0.223 25631 284 1 8 . 1 1 8 8 PHE H H 8 8.330 8.330 7.480 0.850 25631 285 1 8 . 1 1 9 9 GLY H H 9 8.614 8.614 7.846 0.768 25631 286 1 8 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.507 -0.067 25631 287 1 8 . 1 1 10 10 HIS H H 10 8.085 8.085 7.364 0.721 25631 288 1 8 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.828 -0.131 25631 289 1 8 . 1 1 11 11 ILE H H 11 7.952 7.952 7.370 0.582 25631 290 1 8 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.993 0.142 25631 291 1 8 . 1 1 12 12 GLN H H 12 8.321 8.321 7.746 0.575 25631 292 1 8 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.823 -0.101 25631 293 1 8 . 1 1 13 13 VAL H H 13 8.013 8.013 7.738 0.275 25631 294 1 8 . 1 1 14 14 LYS HA H 14 4.108 4.108 3.940 0.168 25631 295 1 8 . 1 1 14 14 LYS H H 14 7.795 7.795 7.373 0.422 25631 296 1 8 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.739 -0.087 25631 297 1 8 . 1 1 15 15 VAL H H 15 8.431 8.431 7.115 1.316 25631 298 1 8 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.288 -0.021 25631 299 1 8 . 1 1 16 16 PHE H H 16 8.535 8.535 7.546 0.989 25631 300 1 8 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.501 -0.052 25631 301 1 8 . 1 1 17 17 ASN H H 17 8.746 8.746 7.742 1.004 25631 302 1 8 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.663 -0.183 25631 303 1 8 . 1 1 18 18 HIS H H 18 8.637 8.637 7.421 1.216 25631 304 1 8 . 1 1 19 19 GLY H H 19 8.694 8.694 7.302 1.392 25631 305 1 8 . 1 1 20 20 GLU HA H 20 3.930 3.930 3.934 -0.004 25631 306 1 8 . 1 1 20 20 GLU H H 20 8.327 8.327 7.594 0.733 25631 307 1 8 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.344 0.105 25631 308 1 8 . 1 1 21 21 HIS H H 21 8.009 8.009 7.648 0.361 25631 309 1 8 . 1 1 22 22 ILE HA H 22 4.000 4.000 3.453 0.547 25631 310 1 8 . 1 1 22 22 ILE H H 22 7.817 7.817 7.629 0.188 25631 311 1 8 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.489 0.073 25631 312 1 8 . 1 1 23 23 HIS H H 23 7.997 7.997 7.343 0.654 25631 313 1 9 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.234 -0.039 25631 314 1 9 . 1 1 3 3 GLU H H 3 8.385 8.385 8.538 -0.153 25631 315 1 9 . 1 1 4 4 ASP HA H 4 4.705 4.705 5.035 -0.330 25631 316 1 9 . 1 1 4 4 ASP H H 4 8.149 8.149 8.571 -0.422 25631 317 1 9 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.824 -0.314 25631 318 1 9 . 1 1 5 5 LEU H H 5 8.003 8.003 8.113 -0.110 25631 319 1 9 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.587 -0.261 25631 320 1 9 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.859 -0.281 25631 321 1 9 . 1 1 7 7 ASN H H 7 8.013 8.013 8.207 -0.194 25631 322 1 9 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.613 -0.317 25631 323 1 9 . 1 1 8 8 PHE H H 8 8.330 8.330 8.324 0.006 25631 324 1 9 . 1 1 9 9 GLY H H 9 8.614 8.614 8.206 0.408 25631 325 1 9 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.506 -0.066 25631 326 1 9 . 1 1 10 10 HIS H H 10 8.085 8.085 7.556 0.529 25631 327 1 9 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.786 -0.089 25631 328 1 9 . 1 1 11 11 ILE H H 11 7.952 7.952 7.437 0.515 25631 329 1 9 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.850 0.285 25631 330 1 9 . 1 1 12 12 GLN H H 12 8.321 8.321 7.451 0.870 25631 331 1 9 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.808 -0.086 25631 332 1 9 . 1 1 13 13 VAL H H 13 8.013 8.013 7.516 0.497 25631 333 1 9 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.138 -0.030 25631 334 1 9 . 1 1 14 14 LYS H H 14 7.795 7.795 7.482 0.313 25631 335 1 9 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.727 -0.075 25631 336 1 9 . 1 1 15 15 VAL H H 15 8.431 8.431 7.376 1.055 25631 337 1 9 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.182 0.085 25631 338 1 9 . 1 1 16 16 PHE H H 16 8.535 8.535 7.803 0.732 25631 339 1 9 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.397 0.052 25631 340 1 9 . 1 1 17 17 ASN H H 17 8.746 8.746 8.009 0.737 25631 341 1 9 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.434 0.046 25631 342 1 9 . 1 1 18 18 HIS H H 18 8.637 8.637 7.430 1.207 25631 343 1 9 . 1 1 19 19 GLY H H 19 8.694 8.694 7.613 1.081 25631 344 1 9 . 1 1 20 20 GLU HA H 20 3.930 3.930 3.838 0.092 25631 345 1 9 . 1 1 20 20 GLU H H 20 8.327 8.327 7.112 1.215 25631 346 1 9 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.538 -0.089 25631 347 1 9 . 1 1 21 21 HIS H H 21 8.009 8.009 7.291 0.718 25631 348 1 9 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.058 -0.058 25631 349 1 9 . 1 1 22 22 ILE H H 22 7.817 7.817 8.384 -0.567 25631 350 1 9 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.447 0.115 25631 351 1 9 . 1 1 23 23 HIS H H 23 7.997 7.997 7.970 0.027 25631 352 1 10 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.275 -0.080 25631 353 1 10 . 1 1 3 3 GLU H H 3 8.385 8.385 8.570 -0.185 25631 354 1 10 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.723 -0.018 25631 355 1 10 . 1 1 4 4 ASP H H 4 8.149 8.149 8.417 -0.268 25631 356 1 10 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.740 -0.230 25631 357 1 10 . 1 1 5 5 LEU H H 5 8.003 8.003 7.846 0.157 25631 358 1 10 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.680 -0.354 25631 359 1 10 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.528 0.050 25631 360 1 10 . 1 1 7 7 ASN H H 7 8.013 8.013 8.122 -0.109 25631 361 1 10 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.609 -0.313 25631 362 1 10 . 1 1 8 8 PHE H H 8 8.330 8.330 8.044 0.286 25631 363 1 10 . 1 1 9 9 GLY H H 9 8.614 8.614 7.948 0.666 25631 364 1 10 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.684 -0.244 25631 365 1 10 . 1 1 10 10 HIS H H 10 8.085 8.085 7.681 0.404 25631 366 1 10 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.912 -0.215 25631 367 1 10 . 1 1 11 11 ILE H H 11 7.952 7.952 8.028 -0.076 25631 368 1 10 . 1 1 12 12 GLN HA H 12 4.135 4.135 4.127 0.008 25631 369 1 10 . 1 1 12 12 GLN H H 12 8.321 8.321 8.240 0.081 25631 370 1 10 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.811 -0.089 25631 371 1 10 . 1 1 13 13 VAL H H 13 8.013 8.013 8.027 -0.014 25631 372 1 10 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.058 0.050 25631 373 1 10 . 1 1 14 14 LYS H H 14 7.795 7.795 7.324 0.471 25631 374 1 10 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.868 -0.216 25631 375 1 10 . 1 1 15 15 VAL H H 15 8.431 8.431 7.419 1.012 25631 376 1 10 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.131 0.136 25631 377 1 10 . 1 1 16 16 PHE H H 16 8.535 8.535 8.261 0.274 25631 378 1 10 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.462 -0.013 25631 379 1 10 . 1 1 17 17 ASN H H 17 8.746 8.746 8.248 0.498 25631 380 1 10 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.448 0.032 25631 381 1 10 . 1 1 18 18 HIS H H 18 8.637 8.637 7.719 0.918 25631 382 1 10 . 1 1 19 19 GLY H H 19 8.694 8.694 7.957 0.737 25631 383 1 10 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.010 -0.080 25631 384 1 10 . 1 1 20 20 GLU H H 20 8.327 8.327 7.622 0.705 25631 385 1 10 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.271 0.178 25631 386 1 10 . 1 1 21 21 HIS H H 21 8.009 8.009 7.937 0.072 25631 387 1 10 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.102 -0.102 25631 388 1 10 . 1 1 22 22 ILE H H 22 7.817 7.817 8.513 -0.696 25631 389 1 10 . 1 1 23 23 HIS HA H 23 4.562 4.562 3.763 0.799 25631 390 1 10 . 1 1 23 23 HIS H H 23 7.997 7.997 7.335 0.662 25631 391 1 11 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.219 -0.024 25631 392 1 11 . 1 1 3 3 GLU H H 3 8.385 8.385 8.506 -0.121 25631 393 1 11 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.771 -0.066 25631 394 1 11 . 1 1 4 4 ASP H H 4 8.149 8.149 8.387 -0.238 25631 395 1 11 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.479 0.031 25631 396 1 11 . 1 1 5 5 LEU H H 5 8.003 8.003 7.621 0.382 25631 397 1 11 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.498 -0.172 25631 398 1 11 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.584 -0.006 25631 399 1 11 . 1 1 7 7 ASN H H 7 8.013 8.013 8.348 -0.335 25631 400 1 11 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.587 -0.291 25631 401 1 11 . 1 1 8 8 PHE H H 8 8.330 8.330 8.334 -0.004 25631 402 1 11 . 1 1 9 9 GLY H H 9 8.614 8.614 8.269 0.345 25631 403 1 11 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.580 -0.140 25631 404 1 11 . 1 1 10 10 HIS H H 10 8.085 8.085 7.666 0.419 25631 405 1 11 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.701 -0.004 25631 406 1 11 . 1 1 11 11 ILE H H 11 7.952 7.952 7.359 0.593 25631 407 1 11 . 1 1 12 12 GLN HA H 12 4.135 4.135 4.052 0.083 25631 408 1 11 . 1 1 12 12 GLN H H 12 8.321 8.321 7.553 0.768 25631 409 1 11 . 1 1 13 13 VAL HA H 13 3.722 3.722 4.076 -0.354 25631 410 1 11 . 1 1 13 13 VAL H H 13 8.013 8.013 7.990 0.023 25631 411 1 11 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.218 -0.110 25631 412 1 11 . 1 1 14 14 LYS H H 14 7.795 7.795 7.276 0.519 25631 413 1 11 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.634 0.018 25631 414 1 11 . 1 1 15 15 VAL H H 15 8.431 8.431 7.101 1.330 25631 415 1 11 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.367 -0.100 25631 416 1 11 . 1 1 16 16 PHE H H 16 8.535 8.535 7.153 1.382 25631 417 1 11 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.597 -0.148 25631 418 1 11 . 1 1 17 17 ASN H H 17 8.746 8.746 8.138 0.608 25631 419 1 11 . 1 1 18 18 HIS HA H 18 4.480 4.480 5.038 -0.558 25631 420 1 11 . 1 1 18 18 HIS H H 18 8.637 8.637 7.755 0.882 25631 421 1 11 . 1 1 19 19 GLY H H 19 8.694 8.694 7.809 0.885 25631 422 1 11 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.302 -0.372 25631 423 1 11 . 1 1 20 20 GLU H H 20 8.327 8.327 7.715 0.612 25631 424 1 11 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.861 -0.412 25631 425 1 11 . 1 1 21 21 HIS H H 21 8.009 8.009 7.896 0.113 25631 426 1 11 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.166 -0.166 25631 427 1 11 . 1 1 22 22 ILE H H 22 7.817 7.817 7.677 0.140 25631 428 1 11 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.718 -0.156 25631 429 1 11 . 1 1 23 23 HIS H H 23 7.997 7.997 7.614 0.383 25631 430 1 12 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.306 -0.111 25631 431 1 12 . 1 1 3 3 GLU H H 3 8.385 8.385 8.765 -0.380 25631 432 1 12 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.290 0.415 25631 433 1 12 . 1 1 4 4 ASP H H 4 8.149 8.149 8.103 0.046 25631 434 1 12 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.755 -0.245 25631 435 1 12 . 1 1 5 5 LEU H H 5 8.003 8.003 7.404 0.599 25631 436 1 12 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.845 -0.519 25631 437 1 12 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.665 -0.087 25631 438 1 12 . 1 1 7 7 ASN H H 7 8.013 8.013 8.427 -0.414 25631 439 1 12 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.665 -0.369 25631 440 1 12 . 1 1 8 8 PHE H H 8 8.330 8.330 7.778 0.552 25631 441 1 12 . 1 1 9 9 GLY H H 9 8.614 8.614 8.364 0.250 25631 442 1 12 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.497 -0.057 25631 443 1 12 . 1 1 10 10 HIS H H 10 8.085 8.085 7.363 0.722 25631 444 1 12 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.750 -0.053 25631 445 1 12 . 1 1 11 11 ILE H H 11 7.952 7.952 7.786 0.166 25631 446 1 12 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.901 0.234 25631 447 1 12 . 1 1 12 12 GLN H H 12 8.321 8.321 7.469 0.852 25631 448 1 12 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.758 -0.036 25631 449 1 12 . 1 1 13 13 VAL H H 13 8.013 8.013 7.341 0.672 25631 450 1 12 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.109 -0.001 25631 451 1 12 . 1 1 14 14 LYS H H 14 7.795 7.795 7.254 0.541 25631 452 1 12 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.772 -0.120 25631 453 1 12 . 1 1 15 15 VAL H H 15 8.431 8.431 7.456 0.975 25631 454 1 12 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.242 0.025 25631 455 1 12 . 1 1 16 16 PHE H H 16 8.535 8.535 8.045 0.490 25631 456 1 12 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.700 -0.251 25631 457 1 12 . 1 1 17 17 ASN H H 17 8.746 8.746 8.024 0.722 25631 458 1 12 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.437 0.043 25631 459 1 12 . 1 1 18 18 HIS H H 18 8.637 8.637 7.793 0.845 25631 460 1 12 . 1 1 19 19 GLY H H 19 8.694 8.694 7.881 0.813 25631 461 1 12 . 1 1 20 20 GLU HA H 20 3.930 3.930 3.851 0.079 25631 462 1 12 . 1 1 20 20 GLU H H 20 8.327 8.327 7.682 0.645 25631 463 1 12 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.528 -0.079 25631 464 1 12 . 1 1 21 21 HIS H H 21 8.009 8.009 7.852 0.157 25631 465 1 12 . 1 1 22 22 ILE HA H 22 4.000 4.000 3.968 0.032 25631 466 1 12 . 1 1 22 22 ILE H H 22 7.817 7.817 8.405 -0.588 25631 467 1 12 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.499 0.063 25631 468 1 12 . 1 1 23 23 HIS H H 23 7.997 7.997 8.446 -0.449 25631 469 1 13 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.498 -0.303 25631 470 1 13 . 1 1 3 3 GLU H H 3 8.385 8.385 8.797 -0.412 25631 471 1 13 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.706 -0.001 25631 472 1 13 . 1 1 4 4 ASP H H 4 8.149 8.149 8.261 -0.112 25631 473 1 13 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.609 -0.099 25631 474 1 13 . 1 1 5 5 LEU H H 5 8.003 8.003 7.575 0.428 25631 475 1 13 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.427 -0.101 25631 476 1 13 . 1 1 7 7 ASN HA H 7 4.578 4.578 3.504 1.074 25631 477 1 13 . 1 1 7 7 ASN H H 7 8.013 8.013 7.954 0.059 25631 478 1 13 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.481 -0.185 25631 479 1 13 . 1 1 8 8 PHE H H 8 8.330 8.330 7.688 0.642 25631 480 1 13 . 1 1 9 9 GLY H H 9 8.614 8.614 7.297 1.317 25631 481 1 13 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.583 -0.143 25631 482 1 13 . 1 1 10 10 HIS H H 10 8.085 8.085 7.503 0.582 25631 483 1 13 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.928 -0.231 25631 484 1 13 . 1 1 11 11 ILE H H 11 7.952 7.952 7.649 0.303 25631 485 1 13 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.831 0.304 25631 486 1 13 . 1 1 12 12 GLN H H 12 8.321 8.321 7.533 0.788 25631 487 1 13 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.629 0.093 25631 488 1 13 . 1 1 13 13 VAL H H 13 8.013 8.013 7.637 0.376 25631 489 1 13 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.100 0.008 25631 490 1 13 . 1 1 14 14 LYS H H 14 7.795 7.795 7.405 0.390 25631 491 1 13 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.864 -0.212 25631 492 1 13 . 1 1 15 15 VAL H H 15 8.431 8.431 7.122 1.309 25631 493 1 13 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.321 -0.054 25631 494 1 13 . 1 1 16 16 PHE H H 16 8.535 8.535 7.370 1.165 25631 495 1 13 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.745 -0.296 25631 496 1 13 . 1 1 17 17 ASN H H 17 8.746 8.746 8.071 0.675 25631 497 1 13 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.493 -0.013 25631 498 1 13 . 1 1 18 18 HIS H H 18 8.637 8.637 7.690 0.947 25631 499 1 13 . 1 1 19 19 GLY H H 19 8.694 8.694 8.080 0.614 25631 500 1 13 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.200 -0.270 25631 501 1 13 . 1 1 20 20 GLU H H 20 8.327 8.327 7.700 0.627 25631 502 1 13 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.304 0.145 25631 503 1 13 . 1 1 21 21 HIS H H 21 8.009 8.009 8.272 -0.263 25631 504 1 13 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.260 -0.260 25631 505 1 13 . 1 1 22 22 ILE H H 22 7.817 7.817 7.971 -0.154 25631 506 1 13 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.614 -0.052 25631 507 1 13 . 1 1 23 23 HIS H H 23 7.997 7.997 8.079 -0.082 25631 508 1 14 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.367 -0.172 25631 509 1 14 . 1 1 3 3 GLU H H 3 8.385 8.385 9.030 -0.645 25631 510 1 14 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.460 0.245 25631 511 1 14 . 1 1 4 4 ASP H H 4 8.149 8.149 8.402 -0.253 25631 512 1 14 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.716 -0.206 25631 513 1 14 . 1 1 5 5 LEU H H 5 8.003 8.003 7.762 0.241 25631 514 1 14 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.752 -0.426 25631 515 1 14 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.656 -0.078 25631 516 1 14 . 1 1 7 7 ASN H H 7 8.013 8.013 8.323 -0.310 25631 517 1 14 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.523 -0.227 25631 518 1 14 . 1 1 8 8 PHE H H 8 8.330 8.330 8.631 -0.301 25631 519 1 14 . 1 1 9 9 GLY H H 9 8.614 8.614 8.743 -0.129 25631 520 1 14 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.437 0.003 25631 521 1 14 . 1 1 10 10 HIS H H 10 8.085 8.085 8.124 -0.039 25631 522 1 14 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.504 0.193 25631 523 1 14 . 1 1 11 11 ILE H H 11 7.952 7.952 7.358 0.594 25631 524 1 14 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.545 0.590 25631 525 1 14 . 1 1 12 12 GLN H H 12 8.321 8.321 7.277 1.044 25631 526 1 14 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.629 0.093 25631 527 1 14 . 1 1 13 13 VAL H H 13 8.013 8.013 7.395 0.618 25631 528 1 14 . 1 1 14 14 LYS HA H 14 4.108 4.108 3.974 0.134 25631 529 1 14 . 1 1 14 14 LYS H H 14 7.795 7.795 7.201 0.594 25631 530 1 14 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.743 -0.091 25631 531 1 14 . 1 1 15 15 VAL H H 15 8.431 8.431 7.260 1.171 25631 532 1 14 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.299 -0.032 25631 533 1 14 . 1 1 16 16 PHE H H 16 8.535 8.535 7.208 1.327 25631 534 1 14 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.685 -0.236 25631 535 1 14 . 1 1 17 17 ASN H H 17 8.746 8.746 8.016 0.730 25631 536 1 14 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.828 -0.348 25631 537 1 14 . 1 1 18 18 HIS H H 18 8.637 8.637 7.720 0.917 25631 538 1 14 . 1 1 19 19 GLY H H 19 8.694 8.694 7.820 0.874 25631 539 1 14 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.133 -0.203 25631 540 1 14 . 1 1 20 20 GLU H H 20 8.327 8.327 7.631 0.696 25631 541 1 14 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.630 -0.181 25631 542 1 14 . 1 1 21 21 HIS H H 21 8.009 8.009 8.011 -0.002 25631 543 1 14 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.115 -0.115 25631 544 1 14 . 1 1 22 22 ILE H H 22 7.817 7.817 8.644 -0.827 25631 545 1 14 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.119 0.443 25631 546 1 14 . 1 1 23 23 HIS H H 23 7.997 7.997 8.079 -0.082 25631 547 1 15 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.459 -0.264 25631 548 1 15 . 1 1 3 3 GLU H H 3 8.385 8.385 8.872 -0.487 25631 549 1 15 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.624 0.081 25631 550 1 15 . 1 1 4 4 ASP H H 4 8.149 8.149 8.094 0.055 25631 551 1 15 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.697 -0.187 25631 552 1 15 . 1 1 5 5 LEU H H 5 8.003 8.003 8.179 -0.176 25631 553 1 15 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.625 -0.299 25631 554 1 15 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.665 -0.087 25631 555 1 15 . 1 1 7 7 ASN H H 7 8.013 8.013 7.990 0.023 25631 556 1 15 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.595 -0.299 25631 557 1 15 . 1 1 8 8 PHE H H 8 8.330 8.330 7.204 1.126 25631 558 1 15 . 1 1 9 9 GLY H H 9 8.614 8.614 7.617 0.997 25631 559 1 15 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.620 -0.180 25631 560 1 15 . 1 1 10 10 HIS H H 10 8.085 8.085 7.603 0.482 25631 561 1 15 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.868 -0.171 25631 562 1 15 . 1 1 11 11 ILE H H 11 7.952 7.952 8.169 -0.217 25631 563 1 15 . 1 1 12 12 GLN HA H 12 4.135 4.135 4.144 -0.009 25631 564 1 15 . 1 1 12 12 GLN H H 12 8.321 8.321 8.429 -0.108 25631 565 1 15 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.581 0.141 25631 566 1 15 . 1 1 13 13 VAL H H 13 8.013 8.013 7.809 0.204 25631 567 1 15 . 1 1 14 14 LYS HA H 14 4.108 4.108 3.848 0.260 25631 568 1 15 . 1 1 14 14 LYS H H 14 7.795 7.795 7.284 0.511 25631 569 1 15 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.717 -0.065 25631 570 1 15 . 1 1 15 15 VAL H H 15 8.431 8.431 7.347 1.084 25631 571 1 15 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.203 0.064 25631 572 1 15 . 1 1 16 16 PHE H H 16 8.535 8.535 8.057 0.478 25631 573 1 15 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.500 -0.051 25631 574 1 15 . 1 1 17 17 ASN H H 17 8.746 8.746 7.673 1.073 25631 575 1 15 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.446 0.034 25631 576 1 15 . 1 1 18 18 HIS H H 18 8.637 8.637 7.795 0.842 25631 577 1 15 . 1 1 19 19 GLY H H 19 8.694 8.694 7.945 0.749 25631 578 1 15 . 1 1 20 20 GLU HA H 20 3.930 3.930 3.728 0.202 25631 579 1 15 . 1 1 20 20 GLU H H 20 8.327 8.327 7.587 0.740 25631 580 1 15 . 1 1 21 21 HIS HA H 21 4.449 4.449 2.845 1.604 25631 581 1 15 . 1 1 21 21 HIS H H 21 8.009 8.009 7.785 0.224 25631 582 1 15 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.468 -0.468 25631 583 1 15 . 1 1 22 22 ILE H H 22 7.817 7.817 8.183 -0.366 25631 584 1 15 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.738 -0.176 25631 585 1 15 . 1 1 23 23 HIS H H 23 7.997 7.997 7.712 0.285 25631 586 1 16 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.135 0.060 25631 587 1 16 . 1 1 3 3 GLU H H 3 8.385 8.385 7.180 1.205 25631 588 1 16 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.367 0.338 25631 589 1 16 . 1 1 4 4 ASP H H 4 8.149 8.149 8.127 0.022 25631 590 1 16 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.889 -0.379 25631 591 1 16 . 1 1 5 5 LEU H H 5 8.003 8.003 7.442 0.561 25631 592 1 16 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.709 -0.383 25631 593 1 16 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.623 -0.045 25631 594 1 16 . 1 1 7 7 ASN H H 7 8.013 8.013 8.162 -0.149 25631 595 1 16 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.591 -0.295 25631 596 1 16 . 1 1 8 8 PHE H H 8 8.330 8.330 8.534 -0.204 25631 597 1 16 . 1 1 9 9 GLY H H 9 8.614 8.614 8.612 0.002 25631 598 1 16 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.528 -0.088 25631 599 1 16 . 1 1 10 10 HIS H H 10 8.085 8.085 7.326 0.759 25631 600 1 16 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.609 0.088 25631 601 1 16 . 1 1 11 11 ILE H H 11 7.952 7.952 7.396 0.556 25631 602 1 16 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.827 0.308 25631 603 1 16 . 1 1 12 12 GLN H H 12 8.321 8.321 7.364 0.957 25631 604 1 16 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.638 0.084 25631 605 1 16 . 1 1 13 13 VAL H H 13 8.013 8.013 7.145 0.868 25631 606 1 16 . 1 1 14 14 LYS HA H 14 4.108 4.108 3.920 0.188 25631 607 1 16 . 1 1 14 14 LYS H H 14 7.795 7.795 7.124 0.671 25631 608 1 16 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.621 0.031 25631 609 1 16 . 1 1 15 15 VAL H H 15 8.431 8.431 7.344 1.087 25631 610 1 16 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.116 0.151 25631 611 1 16 . 1 1 16 16 PHE H H 16 8.535 8.535 7.709 0.826 25631 612 1 16 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.385 0.064 25631 613 1 16 . 1 1 17 17 ASN H H 17 8.746 8.746 7.824 0.922 25631 614 1 16 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.140 0.340 25631 615 1 16 . 1 1 18 18 HIS H H 18 8.637 8.637 7.335 1.302 25631 616 1 16 . 1 1 19 19 GLY H H 19 8.694 8.694 7.567 1.127 25631 617 1 16 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.387 -0.457 25631 618 1 16 . 1 1 20 20 GLU H H 20 8.327 8.327 7.193 1.134 25631 619 1 16 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.411 0.038 25631 620 1 16 . 1 1 21 21 HIS H H 21 8.009 8.009 8.593 -0.584 25631 621 1 16 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.190 -0.190 25631 622 1 16 . 1 1 22 22 ILE H H 22 7.817 7.817 8.628 -0.811 25631 623 1 16 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.674 -0.112 25631 624 1 16 . 1 1 23 23 HIS H H 23 7.997 7.997 8.039 -0.042 25631 625 1 17 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.460 -0.265 25631 626 1 17 . 1 1 3 3 GLU H H 3 8.385 8.385 7.491 0.894 25631 627 1 17 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.674 0.031 25631 628 1 17 . 1 1 4 4 ASP H H 4 8.149 8.149 8.652 -0.503 25631 629 1 17 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.509 0.001 25631 630 1 17 . 1 1 5 5 LEU H H 5 8.003 8.003 7.584 0.419 25631 631 1 17 . 1 1 6 6 PRO HA H 6 4.326 4.326 3.294 1.032 25631 632 1 17 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.528 0.050 25631 633 1 17 . 1 1 7 7 ASN H H 7 8.013 8.013 7.750 0.263 25631 634 1 17 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.521 -0.225 25631 635 1 17 . 1 1 8 8 PHE H H 8 8.330 8.330 7.322 1.008 25631 636 1 17 . 1 1 9 9 GLY H H 9 8.614 8.614 7.715 0.899 25631 637 1 17 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.573 -0.133 25631 638 1 17 . 1 1 10 10 HIS H H 10 8.085 8.085 7.761 0.324 25631 639 1 17 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.833 -0.136 25631 640 1 17 . 1 1 11 11 ILE H H 11 7.952 7.952 7.759 0.193 25631 641 1 17 . 1 1 12 12 GLN HA H 12 4.135 4.135 4.102 0.033 25631 642 1 17 . 1 1 12 12 GLN H H 12 8.321 8.321 7.836 0.485 25631 643 1 17 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.793 -0.071 25631 644 1 17 . 1 1 13 13 VAL H H 13 8.013 8.013 7.377 0.636 25631 645 1 17 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.142 -0.034 25631 646 1 17 . 1 1 14 14 LYS H H 14 7.795 7.795 7.286 0.509 25631 647 1 17 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.845 -0.193 25631 648 1 17 . 1 1 15 15 VAL H H 15 8.431 8.431 7.647 0.784 25631 649 1 17 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.233 0.034 25631 650 1 17 . 1 1 16 16 PHE H H 16 8.535 8.535 8.042 0.493 25631 651 1 17 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.318 0.131 25631 652 1 17 . 1 1 17 17 ASN H H 17 8.746 8.746 7.978 0.768 25631 653 1 17 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.522 -0.042 25631 654 1 17 . 1 1 18 18 HIS H H 18 8.637 8.637 7.657 0.980 25631 655 1 17 . 1 1 19 19 GLY H H 19 8.694 8.694 7.972 0.722 25631 656 1 17 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.013 -0.083 25631 657 1 17 . 1 1 20 20 GLU H H 20 8.327 8.327 7.559 0.768 25631 658 1 17 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.089 0.360 25631 659 1 17 . 1 1 21 21 HIS H H 21 8.009 8.009 8.052 -0.043 25631 660 1 17 . 1 1 22 22 ILE HA H 22 4.000 4.000 3.939 0.061 25631 661 1 17 . 1 1 22 22 ILE H H 22 7.817 7.817 8.422 -0.605 25631 662 1 17 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.150 0.412 25631 663 1 17 . 1 1 23 23 HIS H H 23 7.997 7.997 8.629 -0.632 25631 664 1 18 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.546 -0.351 25631 665 1 18 . 1 1 3 3 GLU H H 3 8.385 8.385 8.731 -0.346 25631 666 1 18 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.590 0.115 25631 667 1 18 . 1 1 4 4 ASP H H 4 8.149 8.149 8.090 0.059 25631 668 1 18 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.810 -0.300 25631 669 1 18 . 1 1 5 5 LEU H H 5 8.003 8.003 7.714 0.289 25631 670 1 18 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.764 -0.438 25631 671 1 18 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.885 -0.307 25631 672 1 18 . 1 1 7 7 ASN H H 7 8.013 8.013 8.372 -0.359 25631 673 1 18 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.555 -0.259 25631 674 1 18 . 1 1 8 8 PHE H H 8 8.330 8.330 7.411 0.919 25631 675 1 18 . 1 1 9 9 GLY H H 9 8.614 8.614 8.344 0.270 25631 676 1 18 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.657 -0.217 25631 677 1 18 . 1 1 10 10 HIS H H 10 8.085 8.085 7.575 0.510 25631 678 1 18 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.850 -0.153 25631 679 1 18 . 1 1 11 11 ILE H H 11 7.952 7.952 7.444 0.508 25631 680 1 18 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.736 0.399 25631 681 1 18 . 1 1 12 12 GLN H H 12 8.321 8.321 8.136 0.185 25631 682 1 18 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.473 0.249 25631 683 1 18 . 1 1 13 13 VAL H H 13 8.013 8.013 7.791 0.222 25631 684 1 18 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.232 -0.124 25631 685 1 18 . 1 1 14 14 LYS H H 14 7.795 7.795 7.193 0.602 25631 686 1 18 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.747 -0.095 25631 687 1 18 . 1 1 15 15 VAL H H 15 8.431 8.431 7.295 1.136 25631 688 1 18 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.487 -0.220 25631 689 1 18 . 1 1 16 16 PHE H H 16 8.535 8.535 7.309 1.226 25631 690 1 18 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.869 -0.420 25631 691 1 18 . 1 1 17 17 ASN H H 17 8.746 8.746 8.116 0.630 25631 692 1 18 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.490 -0.010 25631 693 1 18 . 1 1 18 18 HIS H H 18 8.637 8.637 7.882 0.755 25631 694 1 18 . 1 1 19 19 GLY H H 19 8.694 8.694 7.999 0.695 25631 695 1 18 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.289 -0.359 25631 696 1 18 . 1 1 20 20 GLU H H 20 8.327 8.327 8.025 0.302 25631 697 1 18 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.353 0.096 25631 698 1 18 . 1 1 21 21 HIS H H 21 8.009 8.009 7.653 0.356 25631 699 1 18 . 1 1 22 22 ILE HA H 22 4.000 4.000 3.559 0.441 25631 700 1 18 . 1 1 22 22 ILE H H 22 7.817 7.817 8.374 -0.557 25631 701 1 18 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.243 0.319 25631 702 1 18 . 1 1 23 23 HIS H H 23 7.997 7.997 8.198 -0.201 25631 703 1 19 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.216 -0.021 25631 704 1 19 . 1 1 3 3 GLU H H 3 8.385 8.385 8.167 0.218 25631 705 1 19 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.508 0.197 25631 706 1 19 . 1 1 4 4 ASP H H 4 8.149 8.149 8.052 0.097 25631 707 1 19 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.469 0.041 25631 708 1 19 . 1 1 5 5 LEU H H 5 8.003 8.003 7.454 0.549 25631 709 1 19 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.763 -0.436 25631 710 1 19 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.656 -0.078 25631 711 1 19 . 1 1 7 7 ASN H H 7 8.013 8.013 8.598 -0.585 25631 712 1 19 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.713 -0.417 25631 713 1 19 . 1 1 8 8 PHE H H 8 8.330 8.330 8.466 -0.136 25631 714 1 19 . 1 1 9 9 GLY H H 9 8.614 8.614 8.335 0.279 25631 715 1 19 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.723 -0.283 25631 716 1 19 . 1 1 10 10 HIS H H 10 8.085 8.085 8.242 -0.157 25631 717 1 19 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.949 -0.252 25631 718 1 19 . 1 1 11 11 ILE H H 11 7.952 7.952 7.945 0.007 25631 719 1 19 . 1 1 12 12 GLN HA H 12 4.135 4.135 4.121 0.014 25631 720 1 19 . 1 1 12 12 GLN H H 12 8.321 8.321 7.842 0.479 25631 721 1 19 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.831 -0.109 25631 722 1 19 . 1 1 13 13 VAL H H 13 8.013 8.013 8.037 -0.024 25631 723 1 19 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.108 -0.000 25631 724 1 19 . 1 1 14 14 LYS H H 14 7.795 7.795 7.610 0.185 25631 725 1 19 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.847 -0.195 25631 726 1 19 . 1 1 15 15 VAL H H 15 8.431 8.431 7.402 1.029 25631 727 1 19 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.139 0.128 25631 728 1 19 . 1 1 16 16 PHE H H 16 8.535 8.535 8.067 0.468 25631 729 1 19 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.534 -0.085 25631 730 1 19 . 1 1 17 17 ASN H H 17 8.746 8.746 8.081 0.665 25631 731 1 19 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.463 0.017 25631 732 1 19 . 1 1 18 18 HIS H H 18 8.637 8.637 7.471 1.166 25631 733 1 19 . 1 1 19 19 GLY H H 19 8.694 8.694 7.780 0.914 25631 734 1 19 . 1 1 20 20 GLU HA H 20 3.930 3.930 3.927 0.003 25631 735 1 19 . 1 1 20 20 GLU H H 20 8.327 8.327 7.402 0.925 25631 736 1 19 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.501 -0.052 25631 737 1 19 . 1 1 21 21 HIS H H 21 8.009 8.009 7.736 0.273 25631 738 1 19 . 1 1 22 22 ILE HA H 22 4.000 4.000 3.827 0.173 25631 739 1 19 . 1 1 22 22 ILE H H 22 7.817 7.817 8.210 -0.393 25631 740 1 19 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.810 -0.248 25631 741 1 19 . 1 1 23 23 HIS H H 23 7.997 7.997 7.984 0.013 25631 742 1 20 . 1 1 3 3 GLU HA H 3 4.195 4.195 4.320 -0.125 25631 743 1 20 . 1 1 3 3 GLU H H 3 8.385 8.385 8.515 -0.130 25631 744 1 20 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.826 -0.121 25631 745 1 20 . 1 1 4 4 ASP H H 4 8.149 8.149 8.569 -0.420 25631 746 1 20 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.879 -0.369 25631 747 1 20 . 1 1 5 5 LEU H H 5 8.003 8.003 7.787 0.216 25631 748 1 20 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.543 -0.217 25631 749 1 20 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.583 -0.005 25631 750 1 20 . 1 1 7 7 ASN H H 7 8.013 8.013 8.117 -0.104 25631 751 1 20 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.442 -0.146 25631 752 1 20 . 1 1 8 8 PHE H H 8 8.330 8.330 8.073 0.257 25631 753 1 20 . 1 1 9 9 GLY H H 9 8.614 8.614 8.389 0.225 25631 754 1 20 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.496 -0.056 25631 755 1 20 . 1 1 10 10 HIS H H 10 8.085 8.085 7.371 0.714 25631 756 1 20 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.608 0.089 25631 757 1 20 . 1 1 11 11 ILE H H 11 7.952 7.952 7.142 0.810 25631 758 1 20 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.659 0.476 25631 759 1 20 . 1 1 12 12 GLN H H 12 8.321 8.321 7.519 0.802 25631 760 1 20 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.555 0.167 25631 761 1 20 . 1 1 13 13 VAL H H 13 8.013 8.013 7.349 0.664 25631 762 1 20 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.032 0.076 25631 763 1 20 . 1 1 14 14 LYS H H 14 7.795 7.795 7.316 0.479 25631 764 1 20 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.625 0.027 25631 765 1 20 . 1 1 15 15 VAL H H 15 8.431 8.431 7.160 1.271 25631 766 1 20 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.231 0.036 25631 767 1 20 . 1 1 16 16 PHE H H 16 8.535 8.535 7.290 1.245 25631 768 1 20 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.514 -0.065 25631 769 1 20 . 1 1 17 17 ASN H H 17 8.746 8.746 7.952 0.794 25631 770 1 20 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.453 0.027 25631 771 1 20 . 1 1 18 18 HIS H H 18 8.637 8.637 7.873 0.764 25631 772 1 20 . 1 1 19 19 GLY H H 19 8.694 8.694 7.849 0.845 25631 773 1 20 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.446 -0.516 25631 774 1 20 . 1 1 20 20 GLU H H 20 8.327 8.327 8.244 0.083 25631 775 1 20 . 1 1 21 21 HIS HA H 21 4.449 4.449 5.090 -0.641 25631 776 1 20 . 1 1 21 21 HIS H H 21 8.009 8.009 8.024 -0.015 25631 777 1 20 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.244 -0.244 25631 778 1 20 . 1 1 22 22 ILE H H 22 7.817 7.817 7.744 0.073 25631 779 1 20 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.524 0.038 25631 780 1 20 . 1 1 23 23 HIS H H 23 7.997 7.997 7.720 0.277 25631 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 25631 2 1 1 "Average Difference" HA 23 0.215 -0.019 0.219 25631 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25631 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25631 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25631 6 1 1 "Average Difference" HN 20 0.705 -0.521 0.488 25631 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25631 8 1 2 "Average Difference" HA 23 0.216 0.046 0.216 25631 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25631 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25631 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25631 12 1 2 "Average Difference" HN 20 0.671 -0.421 0.535 25631 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25631 14 1 3 "Average Difference" HA 23 0.165 0.037 0.165 25631 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25631 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25631 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25631 18 1 3 "Average Difference" HN 20 0.691 -0.516 0.472 25631 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25631 20 1 4 "Average Difference" HA 23 0.175 0.086 0.156 25631 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25631 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25631 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25631 24 1 4 "Average Difference" HN 20 0.599 -0.493 0.349 25631 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25631 26 1 5 "Average Difference" HA 23 0.198 0.055 0.195 25631 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25631 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25631 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25631 30 1 5 "Average Difference" HN 20 0.642 -0.476 0.442 25631 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25631 32 1 6 "Average Difference" HA 23 0.278 -0.001 0.285 25631 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25631 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25631 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25631 36 1 6 "Average Difference" HN 20 0.808 -0.571 0.587 25631 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25631 38 1 7 "Average Difference" HA 23 0.195 0.056 0.191 25631 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25631 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25631 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25631 42 1 7 "Average Difference" HN 20 0.653 -0.483 0.451 25631 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25631 44 1 8 "Average Difference" HA 23 0.199 0.013 0.203 25631 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25631 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25631 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25631 48 1 8 "Average Difference" HN 20 0.754 -0.610 0.455 25631 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25631 50 1 9 "Average Difference" HA 23 0.227 0.000 0.232 25631 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25631 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25631 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25631 54 1 9 "Average Difference" HN 20 0.678 -0.423 0.544 25631 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25631 56 1 10 "Average Difference" HA 23 0.240 0.039 0.242 25631 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25631 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25631 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25631 60 1 10 "Average Difference" HN 20 0.511 -0.280 0.439 25631 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25631 62 1 11 "Average Difference" HA 23 0.219 0.156 0.158 25631 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25631 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25631 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25631 66 1 11 "Average Difference" HN 20 0.632 -0.434 0.472 25631 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25631 68 1 12 "Average Difference" HA 23 0.193 0.049 0.191 25631 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25631 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25631 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25631 72 1 12 "Average Difference" HN 20 0.597 -0.361 0.489 25631 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25631 74 1 13 "Average Difference" HA 23 0.280 0.036 0.284 25631 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25631 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25631 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25631 78 1 13 "Average Difference" HN 20 0.677 -0.460 0.509 25631 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25631 80 1 14 "Average Difference" HA 23 0.248 0.003 0.254 25631 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25631 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25631 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25631 84 1 14 "Average Difference" HN 20 0.684 -0.311 0.625 25631 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25631 86 1 15 "Average Difference" HA 23 0.385 -0.003 0.393 25631 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25631 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25631 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25631 90 1 15 "Average Difference" HN 20 0.623 -0.376 0.510 25631 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25631 92 1 16 "Average Difference" HA 23 0.227 0.001 0.233 25631 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25631 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25631 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25631 96 1 16 "Average Difference" HN 20 0.800 -0.510 0.632 25631 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25631 98 1 17 "Average Difference" HA 23 0.268 -0.052 0.268 25631 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25631 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25631 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25631 102 1 17 "Average Difference" HN 20 0.650 -0.418 0.511 25631 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25631 104 1 18 "Average Difference" HA 23 0.265 0.067 0.262 25631 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25631 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25631 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25631 108 1 18 "Average Difference" HN 20 0.593 -0.360 0.483 25631 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25631 110 1 19 "Average Difference" HA 23 0.184 0.061 0.178 25631 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25631 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25631 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25631 114 1 19 "Average Difference" HN 20 0.551 -0.299 0.476 25631 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25631 116 1 20 "Average Difference" HA 23 0.245 0.055 0.244 25631 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25631 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25631 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25631 120 1 20 "Average Difference" HN 20 0.634 -0.443 0.465 25631 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 25631 _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 3 3 GLU HA H 3 4.195 4.195 4.305 -0.110 25631 2 1 . 1 1 3 3 GLU H H 3 8.385 8.385 8.402 -0.017 25631 3 1 . 1 1 4 4 ASP HA H 4 4.705 4.705 4.636 0.069 25631 4 1 . 1 1 4 4 ASP H H 4 8.149 8.149 8.358 -0.209 25631 5 1 . 1 1 5 5 LEU HA H 5 4.510 4.510 4.702 -0.192 25631 6 1 . 1 1 5 5 LEU H H 5 8.003 8.003 7.660 0.343 25631 7 1 . 1 1 6 6 PRO HA H 6 4.326 4.326 4.450 -0.124 25631 8 1 . 1 1 7 7 ASN HA H 7 4.578 4.578 4.540 0.038 25631 9 1 . 1 1 7 7 ASN H H 7 8.013 8.013 8.136 -0.123 25631 10 1 . 1 1 8 8 PHE HA H 8 4.296 4.296 4.546 -0.250 25631 11 1 . 1 1 8 8 PHE H H 8 8.330 8.330 7.930 0.400 25631 12 1 . 1 1 9 9 GLY H H 9 8.614 8.614 8.132 0.482 25631 13 1 . 1 1 10 10 HIS HA H 10 4.440 4.440 4.549 -0.109 25631 14 1 . 1 1 10 10 HIS H H 10 8.085 8.085 7.570 0.515 25631 15 1 . 1 1 11 11 ILE HA H 11 3.697 3.697 3.791 -0.093 25631 16 1 . 1 1 11 11 ILE H H 11 7.952 7.952 7.564 0.388 25631 17 1 . 1 1 12 12 GLN HA H 12 4.135 4.135 3.894 0.241 25631 18 1 . 1 1 12 12 GLN H H 12 8.321 8.321 7.669 0.652 25631 19 1 . 1 1 13 13 VAL HA H 13 3.722 3.722 3.732 -0.009 25631 20 1 . 1 1 13 13 VAL H H 13 8.013 8.013 7.529 0.484 25631 21 1 . 1 1 14 14 LYS HA H 14 4.108 4.108 4.072 0.036 25631 22 1 . 1 1 14 14 LYS H H 14 7.795 7.795 7.315 0.480 25631 23 1 . 1 1 15 15 VAL HA H 15 3.652 3.652 3.770 -0.118 25631 24 1 . 1 1 15 15 VAL H H 15 8.431 8.431 7.305 1.126 25631 25 1 . 1 1 16 16 PHE HA H 16 4.267 4.267 4.316 -0.049 25631 26 1 . 1 1 16 16 PHE H H 16 8.535 8.535 7.631 0.904 25631 27 1 . 1 1 17 17 ASN HA H 17 4.449 4.449 4.578 -0.129 25631 28 1 . 1 1 17 17 ASN H H 17 8.746 8.746 7.959 0.787 25631 29 1 . 1 1 18 18 HIS HA H 18 4.480 4.480 4.490 -0.010 25631 30 1 . 1 1 18 18 HIS H H 18 8.637 8.637 7.682 0.955 25631 31 1 . 1 1 19 19 GLY H H 19 8.694 8.694 7.817 0.877 25631 32 1 . 1 1 20 20 GLU HA H 20 3.930 3.930 4.048 -0.118 25631 33 1 . 1 1 20 20 GLU H H 20 8.327 8.327 7.649 0.678 25631 34 1 . 1 1 21 21 HIS HA H 21 4.449 4.449 4.393 0.056 25631 35 1 . 1 1 21 21 HIS H H 21 8.009 8.009 7.766 0.243 25631 36 1 . 1 1 22 22 ILE HA H 22 4.000 4.000 4.037 -0.037 25631 37 1 . 1 1 22 22 ILE H H 22 7.817 7.817 8.132 -0.315 25631 38 1 . 1 1 23 23 HIS HA H 23 4.562 4.562 4.538 0.024 25631 39 1 . 1 1 23 23 HIS H H 23 7.997 7.997 7.882 0.115 25631 stop_ save_