data_18481 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18481 _Entry.PDB_ID 2LTI 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 18481 _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 LEU HA H 2 4.343 4.343 3.688 0.655 18481 2 1 1 . 1 1 2 2 LEU H H 2 8.093 8.093 7.699 0.394 18481 3 1 1 . 1 1 3 3 SER HA H 3 4.275 4.275 4.824 -0.549 18481 4 1 1 . 1 1 3 3 SER H H 3 7.783 7.783 8.065 -0.282 18481 5 1 1 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.497 -0.237 18481 6 1 1 . 1 1 4 4 GLN H H 4 7.962 7.962 9.790 -1.828 18481 7 1 1 . 1 1 5 5 GLY H H 5 8.187 8.187 8.971 -0.784 18481 8 1 1 . 1 1 6 6 VAL HA H 6 4.134 4.134 5.173 -1.039 18481 9 1 1 . 1 1 6 6 VAL H H 6 7.789 7.789 8.106 -0.317 18481 10 1 1 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.642 -0.082 18481 11 1 1 . 1 1 7 7 GLU H H 7 7.693 7.693 9.124 -1.431 18481 12 1 1 . 1 1 8 8 PRO HA H 8 4.334 4.334 5.013 -0.679 18481 13 1 1 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.864 -0.289 18481 14 1 1 . 1 1 9 9 ASP H H 9 8.195 8.195 8.614 -0.419 18481 15 1 1 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.062 0.064 18481 16 1 1 . 1 1 10 10 ILE H H 10 7.617 7.617 8.810 -1.193 18481 17 1 1 . 1 1 11 11 GLY H H 11 8.307 8.307 7.572 0.735 18481 18 1 1 . 1 1 12 12 GLN HA H 12 4.307 4.307 3.779 0.528 18481 19 1 1 . 1 1 12 12 GLN H H 12 7.945 7.945 8.827 -0.882 18481 20 1 1 . 1 1 13 13 THR HA H 13 4.169 4.169 4.227 -0.058 18481 21 1 1 . 1 1 13 13 THR H H 13 7.745 7.745 8.155 -0.410 18481 22 1 1 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.259 0.158 18481 23 1 1 . 1 1 14 14 TYR H H 14 7.739 7.739 7.435 0.304 18481 24 1 1 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.892 -0.375 18481 25 1 1 . 1 1 15 15 PHE H H 15 8.178 8.178 8.676 -0.498 18481 26 1 1 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.517 -0.225 18481 27 1 1 . 1 1 16 16 GLU H H 16 8.152 8.152 8.442 -0.290 18481 28 1 1 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.715 -0.397 18481 29 1 1 . 1 1 17 17 GLU H H 17 8.002 8.002 8.875 -0.873 18481 30 1 1 . 1 1 18 18 SER HA H 18 4.329 4.329 4.529 -0.200 18481 31 1 1 . 1 1 18 18 SER H H 18 8.036 8.036 8.413 -0.377 18481 32 1 1 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.297 0.038 18481 33 1 1 . 1 1 19 19 ARG H H 19 8.133 8.133 8.635 -0.502 18481 34 1 1 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.158 0.026 18481 35 1 1 . 1 1 20 20 ILE H H 20 7.823 7.823 7.779 0.044 18481 36 1 1 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.332 0.193 18481 37 1 1 . 1 1 21 21 ASN H H 21 8.212 8.212 8.239 -0.027 18481 38 1 1 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.280 -0.046 18481 39 1 1 . 1 1 22 22 GLN H H 22 7.843 7.843 8.026 -0.183 18481 40 1 2 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.058 0.285 18481 41 1 2 . 1 1 2 2 LEU H H 2 8.093 8.093 8.341 -0.248 18481 42 1 2 . 1 1 3 3 SER HA H 3 4.275 4.275 4.844 -0.569 18481 43 1 2 . 1 1 3 3 SER H H 3 7.783 7.783 7.785 -0.002 18481 44 1 2 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.249 0.011 18481 45 1 2 . 1 1 4 4 GLN H H 4 7.962 7.962 8.587 -0.625 18481 46 1 2 . 1 1 5 5 GLY H H 5 8.187 8.187 8.985 -0.798 18481 47 1 2 . 1 1 6 6 VAL HA H 6 4.134 4.134 3.538 0.596 18481 48 1 2 . 1 1 6 6 VAL H H 6 7.789 7.789 8.049 -0.260 18481 49 1 2 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.585 -0.025 18481 50 1 2 . 1 1 7 7 GLU H H 7 7.693 7.693 8.401 -0.708 18481 51 1 2 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.527 -0.193 18481 52 1 2 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.575 0.000 18481 53 1 2 . 1 1 9 9 ASP H H 9 8.195 8.195 8.420 -0.225 18481 54 1 2 . 1 1 10 10 ILE HA H 10 4.126 4.126 3.989 0.137 18481 55 1 2 . 1 1 10 10 ILE H H 10 7.617 7.617 7.823 -0.206 18481 56 1 2 . 1 1 11 11 GLY H H 11 8.307 8.307 8.283 0.024 18481 57 1 2 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.347 -0.040 18481 58 1 2 . 1 1 12 12 GLN H H 12 7.945 7.945 8.513 -0.568 18481 59 1 2 . 1 1 13 13 THR HA H 13 4.169 4.169 4.025 0.144 18481 60 1 2 . 1 1 13 13 THR H H 13 7.745 7.745 7.945 -0.200 18481 61 1 2 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.362 0.055 18481 62 1 2 . 1 1 14 14 TYR H H 14 7.739 7.739 7.405 0.334 18481 63 1 2 . 1 1 15 15 PHE HA H 15 4.517 4.517 5.055 -0.538 18481 64 1 2 . 1 1 15 15 PHE H H 15 8.178 8.178 7.938 0.240 18481 65 1 2 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.166 0.126 18481 66 1 2 . 1 1 16 16 GLU H H 16 8.152 8.152 8.032 0.120 18481 67 1 2 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.014 0.304 18481 68 1 2 . 1 1 17 17 GLU H H 17 8.002 8.002 8.669 -0.667 18481 69 1 2 . 1 1 18 18 SER HA H 18 4.329 4.329 4.676 -0.347 18481 70 1 2 . 1 1 18 18 SER H H 18 8.036 8.036 8.742 -0.706 18481 71 1 2 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.585 -0.250 18481 72 1 2 . 1 1 19 19 ARG H H 19 8.133 8.133 8.307 -0.174 18481 73 1 2 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.282 -0.098 18481 74 1 2 . 1 1 20 20 ILE H H 20 7.823 7.823 7.609 0.214 18481 75 1 2 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.937 -0.412 18481 76 1 2 . 1 1 21 21 ASN H H 21 8.212 8.212 8.393 -0.181 18481 77 1 2 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.421 -0.187 18481 78 1 2 . 1 1 22 22 GLN H H 22 7.843 7.843 7.727 0.116 18481 79 1 3 . 1 1 2 2 LEU HA H 2 4.343 4.343 3.446 0.897 18481 80 1 3 . 1 1 2 2 LEU H H 2 8.093 8.093 8.124 -0.031 18481 81 1 3 . 1 1 3 3 SER HA H 3 4.275 4.275 4.645 -0.370 18481 82 1 3 . 1 1 3 3 SER H H 3 7.783 7.783 8.166 -0.383 18481 83 1 3 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.479 -0.219 18481 84 1 3 . 1 1 4 4 GLN H H 4 7.962 7.962 9.286 -1.324 18481 85 1 3 . 1 1 5 5 GLY H H 5 8.187 8.187 8.350 -0.163 18481 86 1 3 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.335 -0.201 18481 87 1 3 . 1 1 6 6 VAL H H 6 7.789 7.789 8.461 -0.672 18481 88 1 3 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.694 -0.134 18481 89 1 3 . 1 1 7 7 GLU H H 7 7.693 7.693 8.205 -0.512 18481 90 1 3 . 1 1 8 8 PRO HA H 8 4.334 4.334 5.380 -1.046 18481 91 1 3 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.890 -0.315 18481 92 1 3 . 1 1 9 9 ASP H H 9 8.195 8.195 8.955 -0.760 18481 93 1 3 . 1 1 10 10 ILE HA H 10 4.126 4.126 3.907 0.219 18481 94 1 3 . 1 1 10 10 ILE H H 10 7.617 7.617 8.788 -1.171 18481 95 1 3 . 1 1 11 11 GLY H H 11 8.307 8.307 7.643 0.664 18481 96 1 3 . 1 1 12 12 GLN HA H 12 4.307 4.307 3.989 0.318 18481 97 1 3 . 1 1 12 12 GLN H H 12 7.945 7.945 8.177 -0.232 18481 98 1 3 . 1 1 13 13 THR HA H 13 4.169 4.169 4.211 -0.042 18481 99 1 3 . 1 1 13 13 THR H H 13 7.745 7.745 7.540 0.205 18481 100 1 3 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.671 -0.254 18481 101 1 3 . 1 1 14 14 TYR H H 14 7.739 7.739 7.601 0.138 18481 102 1 3 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.623 -0.106 18481 103 1 3 . 1 1 15 15 PHE H H 15 8.178 8.178 8.706 -0.528 18481 104 1 3 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.493 -0.201 18481 105 1 3 . 1 1 16 16 GLU H H 16 8.152 8.152 8.780 -0.628 18481 106 1 3 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.315 0.003 18481 107 1 3 . 1 1 17 17 GLU H H 17 8.002 8.002 8.969 -0.967 18481 108 1 3 . 1 1 18 18 SER HA H 18 4.329 4.329 4.499 -0.170 18481 109 1 3 . 1 1 18 18 SER H H 18 8.036 8.036 8.368 -0.332 18481 110 1 3 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.163 0.172 18481 111 1 3 . 1 1 19 19 ARG H H 19 8.133 8.133 7.859 0.274 18481 112 1 3 . 1 1 20 20 ILE HA H 20 4.184 4.184 3.792 0.392 18481 113 1 3 . 1 1 20 20 ILE H H 20 7.823 7.823 8.220 -0.397 18481 114 1 3 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.798 -0.273 18481 115 1 3 . 1 1 21 21 ASN H H 21 8.212 8.212 9.471 -1.259 18481 116 1 3 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.549 -0.315 18481 117 1 3 . 1 1 22 22 GLN H H 22 7.843 7.843 8.178 -0.335 18481 118 1 4 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.007 0.336 18481 119 1 4 . 1 1 2 2 LEU H H 2 8.093 8.093 8.201 -0.108 18481 120 1 4 . 1 1 3 3 SER HA H 3 4.275 4.275 4.403 -0.128 18481 121 1 4 . 1 1 3 3 SER H H 3 7.783 7.783 8.309 -0.526 18481 122 1 4 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.472 -0.212 18481 123 1 4 . 1 1 4 4 GLN H H 4 7.962 7.962 8.524 -0.562 18481 124 1 4 . 1 1 5 5 GLY H H 5 8.187 8.187 7.862 0.325 18481 125 1 4 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.496 -0.362 18481 126 1 4 . 1 1 6 6 VAL H H 6 7.789 7.789 8.102 -0.313 18481 127 1 4 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.275 0.285 18481 128 1 4 . 1 1 7 7 GLU H H 7 7.693 7.693 8.246 -0.553 18481 129 1 4 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.645 -0.311 18481 130 1 4 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.629 -0.054 18481 131 1 4 . 1 1 9 9 ASP H H 9 8.195 8.195 8.363 -0.168 18481 132 1 4 . 1 1 10 10 ILE HA H 10 4.126 4.126 3.440 0.686 18481 133 1 4 . 1 1 10 10 ILE H H 10 7.617 7.617 7.702 -0.085 18481 134 1 4 . 1 1 11 11 GLY H H 11 8.307 8.307 7.483 0.824 18481 135 1 4 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.084 0.223 18481 136 1 4 . 1 1 12 12 GLN H H 12 7.945 7.945 8.124 -0.179 18481 137 1 4 . 1 1 13 13 THR HA H 13 4.169 4.169 4.144 0.025 18481 138 1 4 . 1 1 13 13 THR H H 13 7.745 7.745 7.446 0.299 18481 139 1 4 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.669 -0.252 18481 140 1 4 . 1 1 14 14 TYR H H 14 7.739 7.739 7.471 0.268 18481 141 1 4 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.854 -0.337 18481 142 1 4 . 1 1 15 15 PHE H H 15 8.178 8.178 8.786 -0.608 18481 143 1 4 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.795 -0.503 18481 144 1 4 . 1 1 16 16 GLU H H 16 8.152 8.152 9.011 -0.859 18481 145 1 4 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.569 -0.251 18481 146 1 4 . 1 1 17 17 GLU H H 17 8.002 8.002 8.544 -0.542 18481 147 1 4 . 1 1 18 18 SER HA H 18 4.329 4.329 4.113 0.216 18481 148 1 4 . 1 1 18 18 SER H H 18 8.036 8.036 8.221 -0.185 18481 149 1 4 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.462 -0.127 18481 150 1 4 . 1 1 19 19 ARG H H 19 8.133 8.133 8.226 -0.093 18481 151 1 4 . 1 1 20 20 ILE HA H 20 4.184 4.184 3.532 0.652 18481 152 1 4 . 1 1 20 20 ILE H H 20 7.823 7.823 7.863 -0.040 18481 153 1 4 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.891 -0.366 18481 154 1 4 . 1 1 21 21 ASN H H 21 8.212 8.212 7.729 0.483 18481 155 1 4 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.688 -0.454 18481 156 1 4 . 1 1 22 22 GLN H H 22 7.843 7.843 8.183 -0.340 18481 157 1 5 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.027 0.316 18481 158 1 5 . 1 1 2 2 LEU H H 2 8.093 8.093 8.880 -0.787 18481 159 1 5 . 1 1 3 3 SER HA H 3 4.275 4.275 4.269 0.006 18481 160 1 5 . 1 1 3 3 SER H H 3 7.783 7.783 8.923 -1.140 18481 161 1 5 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.461 -0.201 18481 162 1 5 . 1 1 4 4 GLN H H 4 7.962 7.962 9.315 -1.353 18481 163 1 5 . 1 1 5 5 GLY H H 5 8.187 8.187 7.982 0.205 18481 164 1 5 . 1 1 6 6 VAL HA H 6 4.134 4.134 3.574 0.560 18481 165 1 5 . 1 1 6 6 VAL H H 6 7.789 7.789 8.349 -0.560 18481 166 1 5 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.578 -0.018 18481 167 1 5 . 1 1 7 7 GLU H H 7 7.693 7.693 7.987 -0.294 18481 168 1 5 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.429 -0.095 18481 169 1 5 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.633 -0.058 18481 170 1 5 . 1 1 9 9 ASP H H 9 8.195 8.195 8.017 0.178 18481 171 1 5 . 1 1 10 10 ILE HA H 10 4.126 4.126 3.957 0.169 18481 172 1 5 . 1 1 10 10 ILE H H 10 7.617 7.617 8.166 -0.549 18481 173 1 5 . 1 1 11 11 GLY H H 11 8.307 8.307 8.425 -0.118 18481 174 1 5 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.065 0.242 18481 175 1 5 . 1 1 12 12 GLN H H 12 7.945 7.945 8.468 -0.523 18481 176 1 5 . 1 1 13 13 THR HA H 13 4.169 4.169 4.276 -0.107 18481 177 1 5 . 1 1 13 13 THR H H 13 7.745 7.745 8.412 -0.667 18481 178 1 5 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.654 -0.237 18481 179 1 5 . 1 1 14 14 TYR H H 14 7.739 7.739 8.456 -0.717 18481 180 1 5 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.963 -0.446 18481 181 1 5 . 1 1 15 15 PHE H H 15 8.178 8.178 7.716 0.462 18481 182 1 5 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.871 -0.579 18481 183 1 5 . 1 1 16 16 GLU H H 16 8.152 8.152 8.111 0.041 18481 184 1 5 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.818 -0.500 18481 185 1 5 . 1 1 17 17 GLU H H 17 8.002 8.002 7.564 0.438 18481 186 1 5 . 1 1 18 18 SER HA H 18 4.329 4.329 4.135 0.194 18481 187 1 5 . 1 1 18 18 SER H H 18 8.036 8.036 8.597 -0.561 18481 188 1 5 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.580 -0.245 18481 189 1 5 . 1 1 19 19 ARG H H 19 8.133 8.133 8.145 -0.012 18481 190 1 5 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.509 -0.325 18481 191 1 5 . 1 1 20 20 ILE H H 20 7.823 7.823 7.991 -0.168 18481 192 1 5 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.386 0.139 18481 193 1 5 . 1 1 21 21 ASN H H 21 8.212 8.212 9.244 -1.032 18481 194 1 5 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.368 -0.134 18481 195 1 5 . 1 1 22 22 GLN H H 22 7.843 7.843 8.379 -0.536 18481 196 1 6 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.047 0.296 18481 197 1 6 . 1 1 2 2 LEU H H 2 8.093 8.093 8.395 -0.302 18481 198 1 6 . 1 1 3 3 SER HA H 3 4.275 4.275 4.089 0.186 18481 199 1 6 . 1 1 3 3 SER H H 3 7.783 7.783 9.098 -1.315 18481 200 1 6 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.024 0.236 18481 201 1 6 . 1 1 4 4 GLN H H 4 7.962 7.962 8.577 -0.615 18481 202 1 6 . 1 1 5 5 GLY H H 5 8.187 8.187 8.916 -0.729 18481 203 1 6 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.272 -0.138 18481 204 1 6 . 1 1 6 6 VAL H H 6 7.789 7.789 8.266 -0.477 18481 205 1 6 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.602 -0.042 18481 206 1 6 . 1 1 7 7 GLU H H 7 7.693 7.693 7.993 -0.300 18481 207 1 6 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.589 -0.255 18481 208 1 6 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.801 -0.226 18481 209 1 6 . 1 1 9 9 ASP H H 9 8.195 8.195 8.162 0.033 18481 210 1 6 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.477 -0.351 18481 211 1 6 . 1 1 10 10 ILE H H 10 7.617 7.617 8.378 -0.761 18481 212 1 6 . 1 1 11 11 GLY H H 11 8.307 8.307 7.919 0.388 18481 213 1 6 . 1 1 12 12 GLN HA H 12 4.307 4.307 3.976 0.331 18481 214 1 6 . 1 1 12 12 GLN H H 12 7.945 7.945 7.856 0.089 18481 215 1 6 . 1 1 13 13 THR HA H 13 4.169 4.169 4.073 0.096 18481 216 1 6 . 1 1 13 13 THR H H 13 7.745 7.745 7.814 -0.069 18481 217 1 6 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.720 -0.303 18481 218 1 6 . 1 1 14 14 TYR H H 14 7.739 7.739 7.269 0.470 18481 219 1 6 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.857 -0.340 18481 220 1 6 . 1 1 15 15 PHE H H 15 8.178 8.178 9.067 -0.889 18481 221 1 6 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.483 -0.191 18481 222 1 6 . 1 1 16 16 GLU H H 16 8.152 8.152 8.303 -0.151 18481 223 1 6 . 1 1 17 17 GLU HA H 17 4.318 4.318 3.959 0.359 18481 224 1 6 . 1 1 17 17 GLU H H 17 8.002 8.002 8.628 -0.626 18481 225 1 6 . 1 1 18 18 SER HA H 18 4.329 4.329 4.675 -0.346 18481 226 1 6 . 1 1 18 18 SER H H 18 8.036 8.036 8.749 -0.713 18481 227 1 6 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.714 -0.379 18481 228 1 6 . 1 1 19 19 ARG H H 19 8.133 8.133 8.097 0.036 18481 229 1 6 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.025 0.159 18481 230 1 6 . 1 1 20 20 ILE H H 20 7.823 7.823 8.746 -0.923 18481 231 1 6 . 1 1 21 21 ASN HA H 21 4.525 4.525 5.062 -0.537 18481 232 1 6 . 1 1 21 21 ASN H H 21 8.212 8.212 7.373 0.839 18481 233 1 6 . 1 1 22 22 GLN HA H 22 4.234 4.234 3.875 0.359 18481 234 1 6 . 1 1 22 22 GLN H H 22 7.843 7.843 8.624 -0.781 18481 235 1 7 . 1 1 2 2 LEU HA H 2 4.343 4.343 3.277 1.066 18481 236 1 7 . 1 1 2 2 LEU H H 2 8.093 8.093 6.803 1.290 18481 237 1 7 . 1 1 3 3 SER HA H 3 4.275 4.275 4.821 -0.546 18481 238 1 7 . 1 1 3 3 SER H H 3 7.783 7.783 7.724 0.059 18481 239 1 7 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.707 -0.447 18481 240 1 7 . 1 1 4 4 GLN H H 4 7.962 7.962 8.259 -0.297 18481 241 1 7 . 1 1 5 5 GLY H H 5 8.187 8.187 9.574 -1.387 18481 242 1 7 . 1 1 6 6 VAL HA H 6 4.134 4.134 3.751 0.384 18481 243 1 7 . 1 1 6 6 VAL H H 6 7.789 7.789 9.096 -1.307 18481 244 1 7 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.534 0.026 18481 245 1 7 . 1 1 7 7 GLU H H 7 7.693 7.693 7.926 -0.233 18481 246 1 7 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.441 -0.107 18481 247 1 7 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.746 -0.171 18481 248 1 7 . 1 1 9 9 ASP H H 9 8.195 8.195 8.407 -0.212 18481 249 1 7 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.041 0.085 18481 250 1 7 . 1 1 10 10 ILE H H 10 7.617 7.617 8.996 -1.379 18481 251 1 7 . 1 1 11 11 GLY H H 11 8.307 8.307 7.958 0.349 18481 252 1 7 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.035 0.272 18481 253 1 7 . 1 1 12 12 GLN H H 12 7.945 7.945 8.123 -0.178 18481 254 1 7 . 1 1 13 13 THR HA H 13 4.169 4.169 4.210 -0.041 18481 255 1 7 . 1 1 13 13 THR H H 13 7.745 7.745 7.354 0.391 18481 256 1 7 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.674 -0.257 18481 257 1 7 . 1 1 14 14 TYR H H 14 7.739 7.739 7.450 0.289 18481 258 1 7 . 1 1 15 15 PHE HA H 15 4.517 4.517 5.120 -0.603 18481 259 1 7 . 1 1 15 15 PHE H H 15 8.178 8.178 8.809 -0.631 18481 260 1 7 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.363 -0.071 18481 261 1 7 . 1 1 16 16 GLU H H 16 8.152 8.152 8.728 -0.576 18481 262 1 7 . 1 1 17 17 GLU HA H 17 4.318 4.318 3.973 0.345 18481 263 1 7 . 1 1 17 17 GLU H H 17 8.002 8.002 8.628 -0.626 18481 264 1 7 . 1 1 18 18 SER HA H 18 4.329 4.329 4.506 -0.177 18481 265 1 7 . 1 1 18 18 SER H H 18 8.036 8.036 9.249 -1.213 18481 266 1 7 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.359 -0.024 18481 267 1 7 . 1 1 19 19 ARG H H 19 8.133 8.133 7.684 0.449 18481 268 1 7 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.177 0.007 18481 269 1 7 . 1 1 20 20 ILE H H 20 7.823 7.823 8.388 -0.565 18481 270 1 7 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.341 0.184 18481 271 1 7 . 1 1 21 21 ASN H H 21 8.212 8.212 8.227 -0.015 18481 272 1 7 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.265 -0.031 18481 273 1 7 . 1 1 22 22 GLN H H 22 7.843 7.843 8.536 -0.693 18481 274 1 8 . 1 1 2 2 LEU HA H 2 4.343 4.343 2.995 1.348 18481 275 1 8 . 1 1 2 2 LEU H H 2 8.093 8.093 7.885 0.208 18481 276 1 8 . 1 1 3 3 SER HA H 3 4.275 4.275 4.898 -0.623 18481 277 1 8 . 1 1 3 3 SER H H 3 7.783 7.783 7.756 0.027 18481 278 1 8 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.553 -0.293 18481 279 1 8 . 1 1 4 4 GLN H H 4 7.962 7.962 9.679 -1.717 18481 280 1 8 . 1 1 5 5 GLY H H 5 8.187 8.187 8.809 -0.622 18481 281 1 8 . 1 1 6 6 VAL HA H 6 4.134 4.134 3.722 0.412 18481 282 1 8 . 1 1 6 6 VAL H H 6 7.789 7.789 9.061 -1.272 18481 283 1 8 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.645 -0.085 18481 284 1 8 . 1 1 7 7 GLU H H 7 7.693 7.693 8.527 -0.834 18481 285 1 8 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.725 -0.391 18481 286 1 8 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.693 -0.118 18481 287 1 8 . 1 1 9 9 ASP H H 9 8.195 8.195 8.132 0.063 18481 288 1 8 . 1 1 10 10 ILE HA H 10 4.126 4.126 3.942 0.184 18481 289 1 8 . 1 1 10 10 ILE H H 10 7.617 7.617 8.544 -0.927 18481 290 1 8 . 1 1 11 11 GLY H H 11 8.307 8.307 7.630 0.677 18481 291 1 8 . 1 1 12 12 GLN HA H 12 4.307 4.307 3.794 0.513 18481 292 1 8 . 1 1 12 12 GLN H H 12 7.945 7.945 9.109 -1.164 18481 293 1 8 . 1 1 13 13 THR HA H 13 4.169 4.169 4.257 -0.088 18481 294 1 8 . 1 1 13 13 THR H H 13 7.745 7.745 7.883 -0.138 18481 295 1 8 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.164 0.253 18481 296 1 8 . 1 1 14 14 TYR H H 14 7.739 7.739 7.074 0.665 18481 297 1 8 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.610 -0.093 18481 298 1 8 . 1 1 15 15 PHE H H 15 8.178 8.178 8.618 -0.440 18481 299 1 8 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.257 0.035 18481 300 1 8 . 1 1 16 16 GLU H H 16 8.152 8.152 9.092 -0.940 18481 301 1 8 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.725 -0.407 18481 302 1 8 . 1 1 17 17 GLU H H 17 8.002 8.002 8.212 -0.210 18481 303 1 8 . 1 1 18 18 SER HA H 18 4.329 4.329 4.181 0.148 18481 304 1 8 . 1 1 18 18 SER H H 18 8.036 8.036 8.940 -0.904 18481 305 1 8 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.132 0.203 18481 306 1 8 . 1 1 19 19 ARG H H 19 8.133 8.133 8.502 -0.369 18481 307 1 8 . 1 1 20 20 ILE HA H 20 4.184 4.184 3.918 0.266 18481 308 1 8 . 1 1 20 20 ILE H H 20 7.823 7.823 7.494 0.329 18481 309 1 8 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.437 0.088 18481 310 1 8 . 1 1 21 21 ASN H H 21 8.212 8.212 8.027 0.185 18481 311 1 8 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.667 -0.433 18481 312 1 8 . 1 1 22 22 GLN H H 22 7.843 7.843 9.163 -1.320 18481 313 1 9 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.076 0.267 18481 314 1 9 . 1 1 2 2 LEU H H 2 8.093 8.093 8.123 -0.030 18481 315 1 9 . 1 1 3 3 SER HA H 3 4.275 4.275 4.800 -0.525 18481 316 1 9 . 1 1 3 3 SER H H 3 7.783 7.783 7.824 -0.041 18481 317 1 9 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.457 -0.197 18481 318 1 9 . 1 1 4 4 GLN H H 4 7.962 7.962 9.566 -1.604 18481 319 1 9 . 1 1 5 5 GLY H H 5 8.187 8.187 8.237 -0.050 18481 320 1 9 . 1 1 6 6 VAL HA H 6 4.134 4.134 3.782 0.352 18481 321 1 9 . 1 1 6 6 VAL H H 6 7.789 7.789 8.014 -0.225 18481 322 1 9 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.469 0.091 18481 323 1 9 . 1 1 7 7 GLU H H 7 7.693 7.693 8.103 -0.410 18481 324 1 9 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.667 -0.333 18481 325 1 9 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.518 0.057 18481 326 1 9 . 1 1 9 9 ASP H H 9 8.195 8.195 8.103 0.092 18481 327 1 9 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.479 -0.353 18481 328 1 9 . 1 1 10 10 ILE H H 10 7.617 7.617 8.212 -0.595 18481 329 1 9 . 1 1 11 11 GLY H H 11 8.307 8.307 8.485 -0.178 18481 330 1 9 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.385 -0.078 18481 331 1 9 . 1 1 12 12 GLN H H 12 7.945 7.945 8.044 -0.099 18481 332 1 9 . 1 1 13 13 THR HA H 13 4.169 4.169 3.664 0.505 18481 333 1 9 . 1 1 13 13 THR H H 13 7.745 7.745 7.505 0.240 18481 334 1 9 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.449 -0.032 18481 335 1 9 . 1 1 14 14 TYR H H 14 7.739 7.739 7.349 0.390 18481 336 1 9 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.908 -0.391 18481 337 1 9 . 1 1 15 15 PHE H H 15 8.178 8.178 8.673 -0.495 18481 338 1 9 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.522 -0.230 18481 339 1 9 . 1 1 16 16 GLU H H 16 8.152 8.152 8.421 -0.269 18481 340 1 9 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.420 -0.102 18481 341 1 9 . 1 1 17 17 GLU H H 17 8.002 8.002 8.159 -0.157 18481 342 1 9 . 1 1 18 18 SER HA H 18 4.329 4.329 4.280 0.049 18481 343 1 9 . 1 1 18 18 SER H H 18 8.036 8.036 8.676 -0.640 18481 344 1 9 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.749 -0.414 18481 345 1 9 . 1 1 19 19 ARG H H 19 8.133 8.133 8.502 -0.369 18481 346 1 9 . 1 1 20 20 ILE HA H 20 4.184 4.184 3.664 0.520 18481 347 1 9 . 1 1 20 20 ILE H H 20 7.823 7.823 9.038 -1.215 18481 348 1 9 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.957 -0.432 18481 349 1 9 . 1 1 21 21 ASN H H 21 8.212 8.212 7.938 0.274 18481 350 1 9 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.500 -0.266 18481 351 1 9 . 1 1 22 22 GLN H H 22 7.843 7.843 8.475 -0.632 18481 352 1 10 . 1 1 2 2 LEU HA H 2 4.343 4.343 3.639 0.704 18481 353 1 10 . 1 1 2 2 LEU H H 2 8.093 8.093 7.632 0.461 18481 354 1 10 . 1 1 3 3 SER HA H 3 4.275 4.275 4.825 -0.550 18481 355 1 10 . 1 1 3 3 SER H H 3 7.783 7.783 7.817 -0.034 18481 356 1 10 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.127 0.133 18481 357 1 10 . 1 1 4 4 GLN H H 4 7.962 7.962 9.677 -1.714 18481 358 1 10 . 1 1 5 5 GLY H H 5 8.187 8.187 8.968 -0.781 18481 359 1 10 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.848 -0.714 18481 360 1 10 . 1 1 6 6 VAL H H 6 7.789 7.789 8.059 -0.270 18481 361 1 10 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.632 -0.072 18481 362 1 10 . 1 1 7 7 GLU H H 7 7.693 7.693 7.637 0.056 18481 363 1 10 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.616 -0.282 18481 364 1 10 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.656 -0.081 18481 365 1 10 . 1 1 9 9 ASP H H 9 8.195 8.195 7.672 0.523 18481 366 1 10 . 1 1 10 10 ILE HA H 10 4.126 4.126 3.916 0.210 18481 367 1 10 . 1 1 10 10 ILE H H 10 7.617 7.617 8.207 -0.590 18481 368 1 10 . 1 1 11 11 GLY H H 11 8.307 8.307 7.909 0.398 18481 369 1 10 . 1 1 12 12 GLN HA H 12 4.307 4.307 3.978 0.329 18481 370 1 10 . 1 1 12 12 GLN H H 12 7.945 7.945 8.589 -0.644 18481 371 1 10 . 1 1 13 13 THR HA H 13 4.169 4.169 4.242 -0.073 18481 372 1 10 . 1 1 13 13 THR H H 13 7.745 7.745 7.567 0.178 18481 373 1 10 . 1 1 14 14 TYR HA H 14 4.417 4.417 3.952 0.465 18481 374 1 10 . 1 1 14 14 TYR H H 14 7.739 7.739 7.087 0.652 18481 375 1 10 . 1 1 15 15 PHE HA H 15 4.517 4.517 5.201 -0.684 18481 376 1 10 . 1 1 15 15 PHE H H 15 8.178 8.178 8.363 -0.185 18481 377 1 10 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.356 -0.064 18481 378 1 10 . 1 1 16 16 GLU H H 16 8.152 8.152 9.247 -1.095 18481 379 1 10 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.507 -0.189 18481 380 1 10 . 1 1 17 17 GLU H H 17 8.002 8.002 8.308 -0.306 18481 381 1 10 . 1 1 18 18 SER HA H 18 4.329 4.329 4.482 -0.153 18481 382 1 10 . 1 1 18 18 SER H H 18 8.036 8.036 8.312 -0.276 18481 383 1 10 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.073 0.262 18481 384 1 10 . 1 1 19 19 ARG H H 19 8.133 8.133 8.906 -0.773 18481 385 1 10 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.029 0.155 18481 386 1 10 . 1 1 20 20 ILE H H 20 7.823 7.823 8.263 -0.440 18481 387 1 10 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.407 0.118 18481 388 1 10 . 1 1 21 21 ASN H H 21 8.212 8.212 8.266 -0.054 18481 389 1 10 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.513 -0.279 18481 390 1 10 . 1 1 22 22 GLN H H 22 7.843 7.843 8.748 -0.905 18481 391 1 11 . 1 1 2 2 LEU HA H 2 4.343 4.343 5.071 -0.728 18481 392 1 11 . 1 1 2 2 LEU H H 2 8.093 8.093 8.985 -0.892 18481 393 1 11 . 1 1 3 3 SER HA H 3 4.275 4.275 4.569 -0.294 18481 394 1 11 . 1 1 3 3 SER H H 3 7.783 7.783 8.436 -0.653 18481 395 1 11 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.687 -0.427 18481 396 1 11 . 1 1 4 4 GLN H H 4 7.962 7.962 7.827 0.135 18481 397 1 11 . 1 1 5 5 GLY H H 5 8.187 8.187 9.076 -0.889 18481 398 1 11 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.154 -0.020 18481 399 1 11 . 1 1 6 6 VAL H H 6 7.789 7.789 7.581 0.208 18481 400 1 11 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.674 -0.114 18481 401 1 11 . 1 1 7 7 GLU H H 7 7.693 7.693 8.097 -0.404 18481 402 1 11 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.686 -0.352 18481 403 1 11 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.550 0.025 18481 404 1 11 . 1 1 9 9 ASP H H 9 8.195 8.195 8.301 -0.106 18481 405 1 11 . 1 1 10 10 ILE HA H 10 4.126 4.126 3.997 0.129 18481 406 1 11 . 1 1 10 10 ILE H H 10 7.617 7.617 8.168 -0.551 18481 407 1 11 . 1 1 11 11 GLY H H 11 8.307 8.307 8.301 0.006 18481 408 1 11 . 1 1 12 12 GLN HA H 12 4.307 4.307 3.956 0.351 18481 409 1 11 . 1 1 12 12 GLN H H 12 7.945 7.945 8.029 -0.084 18481 410 1 11 . 1 1 13 13 THR HA H 13 4.169 4.169 3.857 0.312 18481 411 1 11 . 1 1 13 13 THR H H 13 7.745 7.745 7.837 -0.092 18481 412 1 11 . 1 1 14 14 TYR HA H 14 4.417 4.417 3.922 0.495 18481 413 1 11 . 1 1 14 14 TYR H H 14 7.739 7.739 7.189 0.550 18481 414 1 11 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.732 -0.215 18481 415 1 11 . 1 1 15 15 PHE H H 15 8.178 8.178 8.361 -0.183 18481 416 1 11 . 1 1 16 16 GLU HA H 16 4.292 4.292 5.094 -0.802 18481 417 1 11 . 1 1 16 16 GLU H H 16 8.152 8.152 8.195 -0.043 18481 418 1 11 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.479 -0.161 18481 419 1 11 . 1 1 17 17 GLU H H 17 8.002 8.002 8.689 -0.687 18481 420 1 11 . 1 1 18 18 SER HA H 18 4.329 4.329 4.672 -0.343 18481 421 1 11 . 1 1 18 18 SER H H 18 8.036 8.036 8.678 -0.642 18481 422 1 11 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.741 -0.406 18481 423 1 11 . 1 1 19 19 ARG H H 19 8.133 8.133 9.144 -1.011 18481 424 1 11 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.412 -0.228 18481 425 1 11 . 1 1 20 20 ILE H H 20 7.823 7.823 8.815 -0.992 18481 426 1 11 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.790 -0.265 18481 427 1 11 . 1 1 21 21 ASN H H 21 8.212 8.212 7.789 0.423 18481 428 1 11 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.047 0.187 18481 429 1 11 . 1 1 22 22 GLN H H 22 7.843 7.843 8.491 -0.648 18481 430 1 12 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.056 0.287 18481 431 1 12 . 1 1 2 2 LEU H H 2 8.093 8.093 8.375 -0.282 18481 432 1 12 . 1 1 3 3 SER HA H 3 4.275 4.275 3.990 0.285 18481 433 1 12 . 1 1 3 3 SER H H 3 7.783 7.783 7.402 0.381 18481 434 1 12 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.145 0.115 18481 435 1 12 . 1 1 4 4 GLN H H 4 7.962 7.962 8.206 -0.244 18481 436 1 12 . 1 1 5 5 GLY H H 5 8.187 8.187 8.781 -0.594 18481 437 1 12 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.407 -0.273 18481 438 1 12 . 1 1 6 6 VAL H H 6 7.789 7.789 8.539 -0.750 18481 439 1 12 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.548 0.012 18481 440 1 12 . 1 1 7 7 GLU H H 7 7.693 7.693 8.192 -0.499 18481 441 1 12 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.710 -0.376 18481 442 1 12 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.801 -0.226 18481 443 1 12 . 1 1 9 9 ASP H H 9 8.195 8.195 8.211 -0.016 18481 444 1 12 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.262 -0.136 18481 445 1 12 . 1 1 10 10 ILE H H 10 7.617 7.617 9.122 -1.505 18481 446 1 12 . 1 1 11 11 GLY H H 11 8.307 8.307 8.795 -0.488 18481 447 1 12 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.427 -0.120 18481 448 1 12 . 1 1 12 12 GLN H H 12 7.945 7.945 8.255 -0.310 18481 449 1 12 . 1 1 13 13 THR HA H 13 4.169 4.169 4.083 0.086 18481 450 1 12 . 1 1 13 13 THR H H 13 7.745 7.745 8.397 -0.652 18481 451 1 12 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.280 0.137 18481 452 1 12 . 1 1 14 14 TYR H H 14 7.739 7.739 6.997 0.742 18481 453 1 12 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.809 -0.292 18481 454 1 12 . 1 1 15 15 PHE H H 15 8.178 8.178 8.758 -0.580 18481 455 1 12 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.500 -0.208 18481 456 1 12 . 1 1 16 16 GLU H H 16 8.152 8.152 8.077 0.075 18481 457 1 12 . 1 1 17 17 GLU HA H 17 4.318 4.318 3.964 0.354 18481 458 1 12 . 1 1 17 17 GLU H H 17 8.002 8.002 8.677 -0.675 18481 459 1 12 . 1 1 18 18 SER HA H 18 4.329 4.329 4.123 0.206 18481 460 1 12 . 1 1 18 18 SER H H 18 8.036 8.036 8.527 -0.490 18481 461 1 12 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.335 -0.000 18481 462 1 12 . 1 1 19 19 ARG H H 19 8.133 8.133 7.671 0.462 18481 463 1 12 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.221 -0.037 18481 464 1 12 . 1 1 20 20 ILE H H 20 7.823 7.823 8.015 -0.192 18481 465 1 12 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.424 0.101 18481 466 1 12 . 1 1 21 21 ASN H H 21 8.212 8.212 8.359 -0.147 18481 467 1 12 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.578 -0.344 18481 468 1 12 . 1 1 22 22 GLN H H 22 7.843 7.843 8.196 -0.353 18481 469 1 13 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.019 0.324 18481 470 1 13 . 1 1 2 2 LEU H H 2 8.093 8.093 9.689 -1.596 18481 471 1 13 . 1 1 3 3 SER HA H 3 4.275 4.275 4.198 0.077 18481 472 1 13 . 1 1 3 3 SER H H 3 7.783 7.783 8.682 -0.899 18481 473 1 13 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.457 -0.197 18481 474 1 13 . 1 1 4 4 GLN H H 4 7.962 7.962 8.795 -0.833 18481 475 1 13 . 1 1 5 5 GLY H H 5 8.187 8.187 8.092 0.095 18481 476 1 13 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.598 -0.464 18481 477 1 13 . 1 1 6 6 VAL H H 6 7.789 7.789 8.852 -1.063 18481 478 1 13 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.751 -0.191 18481 479 1 13 . 1 1 7 7 GLU H H 7 7.693 7.693 9.010 -1.317 18481 480 1 13 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.426 -0.092 18481 481 1 13 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.891 -0.316 18481 482 1 13 . 1 1 9 9 ASP H H 9 8.195 8.195 8.502 -0.307 18481 483 1 13 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.068 0.058 18481 484 1 13 . 1 1 10 10 ILE H H 10 7.617 7.617 8.036 -0.419 18481 485 1 13 . 1 1 11 11 GLY H H 11 8.307 8.307 7.686 0.621 18481 486 1 13 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.070 0.237 18481 487 1 13 . 1 1 12 12 GLN H H 12 7.945 7.945 8.331 -0.386 18481 488 1 13 . 1 1 13 13 THR HA H 13 4.169 4.169 4.111 0.058 18481 489 1 13 . 1 1 13 13 THR H H 13 7.745 7.745 8.069 -0.324 18481 490 1 13 . 1 1 14 14 TYR HA H 14 4.417 4.417 3.546 0.871 18481 491 1 13 . 1 1 14 14 TYR H H 14 7.739 7.739 8.019 -0.280 18481 492 1 13 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.959 -0.442 18481 493 1 13 . 1 1 15 15 PHE H H 15 8.178 8.178 8.281 -0.103 18481 494 1 13 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.506 -0.214 18481 495 1 13 . 1 1 16 16 GLU H H 16 8.152 8.152 8.072 0.080 18481 496 1 13 . 1 1 17 17 GLU HA H 17 4.318 4.318 3.938 0.380 18481 497 1 13 . 1 1 17 17 GLU H H 17 8.002 8.002 9.053 -1.051 18481 498 1 13 . 1 1 18 18 SER HA H 18 4.329 4.329 4.646 -0.317 18481 499 1 13 . 1 1 18 18 SER H H 18 8.036 8.036 9.254 -1.218 18481 500 1 13 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.348 -0.013 18481 501 1 13 . 1 1 19 19 ARG H H 19 8.133 8.133 8.280 -0.147 18481 502 1 13 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.257 -0.073 18481 503 1 13 . 1 1 20 20 ILE H H 20 7.823 7.823 8.351 -0.528 18481 504 1 13 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.395 0.130 18481 505 1 13 . 1 1 21 21 ASN H H 21 8.212 8.212 8.253 -0.041 18481 506 1 13 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.367 -0.133 18481 507 1 13 . 1 1 22 22 GLN H H 22 7.843 7.843 8.245 -0.402 18481 508 1 14 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.125 0.218 18481 509 1 14 . 1 1 2 2 LEU H H 2 8.093 8.093 8.692 -0.599 18481 510 1 14 . 1 1 3 3 SER HA H 3 4.275 4.275 4.294 -0.019 18481 511 1 14 . 1 1 3 3 SER H H 3 7.783 7.783 7.815 -0.032 18481 512 1 14 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.664 -0.404 18481 513 1 14 . 1 1 4 4 GLN H H 4 7.962 7.962 8.097 -0.135 18481 514 1 14 . 1 1 5 5 GLY H H 5 8.187 8.187 8.438 -0.251 18481 515 1 14 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.277 -0.143 18481 516 1 14 . 1 1 6 6 VAL H H 6 7.789 7.789 8.332 -0.543 18481 517 1 14 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.601 -0.041 18481 518 1 14 . 1 1 7 7 GLU H H 7 7.693 7.693 8.740 -1.047 18481 519 1 14 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.797 -0.463 18481 520 1 14 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.850 -0.275 18481 521 1 14 . 1 1 9 9 ASP H H 9 8.195 8.195 8.528 -0.333 18481 522 1 14 . 1 1 10 10 ILE HA H 10 4.126 4.126 3.835 0.291 18481 523 1 14 . 1 1 10 10 ILE H H 10 7.617 7.617 8.502 -0.885 18481 524 1 14 . 1 1 11 11 GLY H H 11 8.307 8.307 7.646 0.661 18481 525 1 14 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.511 -0.204 18481 526 1 14 . 1 1 12 12 GLN H H 12 7.945 7.945 6.651 1.294 18481 527 1 14 . 1 1 13 13 THR HA H 13 4.169 4.169 4.009 0.160 18481 528 1 14 . 1 1 13 13 THR H H 13 7.745 7.745 8.155 -0.410 18481 529 1 14 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.724 -0.307 18481 530 1 14 . 1 1 14 14 TYR H H 14 7.739 7.739 7.451 0.288 18481 531 1 14 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.724 -0.207 18481 532 1 14 . 1 1 15 15 PHE H H 15 8.178 8.178 9.057 -0.879 18481 533 1 14 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.738 -0.446 18481 534 1 14 . 1 1 16 16 GLU H H 16 8.152 8.152 8.459 -0.307 18481 535 1 14 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.439 -0.121 18481 536 1 14 . 1 1 17 17 GLU H H 17 8.002 8.002 8.409 -0.407 18481 537 1 14 . 1 1 18 18 SER HA H 18 4.329 4.329 4.319 0.010 18481 538 1 14 . 1 1 18 18 SER H H 18 8.036 8.036 7.979 0.057 18481 539 1 14 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.615 -0.280 18481 540 1 14 . 1 1 19 19 ARG H H 19 8.133 8.133 8.931 -0.798 18481 541 1 14 . 1 1 20 20 ILE HA H 20 4.184 4.184 3.855 0.329 18481 542 1 14 . 1 1 20 20 ILE H H 20 7.823 7.823 8.587 -0.764 18481 543 1 14 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.836 -0.311 18481 544 1 14 . 1 1 21 21 ASN H H 21 8.212 8.212 8.204 0.008 18481 545 1 14 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.624 -0.390 18481 546 1 14 . 1 1 22 22 GLN H H 22 7.843 7.843 8.562 -0.719 18481 547 1 15 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.031 0.312 18481 548 1 15 . 1 1 2 2 LEU H H 2 8.093 8.093 8.211 -0.118 18481 549 1 15 . 1 1 3 3 SER HA H 3 4.275 4.275 4.927 -0.652 18481 550 1 15 . 1 1 3 3 SER H H 3 7.783 7.783 7.725 0.058 18481 551 1 15 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.743 -0.483 18481 552 1 15 . 1 1 4 4 GLN H H 4 7.962 7.962 9.375 -1.413 18481 553 1 15 . 1 1 5 5 GLY H H 5 8.187 8.187 8.463 -0.276 18481 554 1 15 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.527 -0.393 18481 555 1 15 . 1 1 6 6 VAL H H 6 7.789 7.789 8.090 -0.301 18481 556 1 15 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.555 0.005 18481 557 1 15 . 1 1 7 7 GLU H H 7 7.693 7.693 7.662 0.031 18481 558 1 15 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.427 -0.093 18481 559 1 15 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.555 0.020 18481 560 1 15 . 1 1 9 9 ASP H H 9 8.195 8.195 8.398 -0.203 18481 561 1 15 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.042 0.084 18481 562 1 15 . 1 1 10 10 ILE H H 10 7.617 7.617 8.579 -0.963 18481 563 1 15 . 1 1 11 11 GLY H H 11 8.307 8.307 7.949 0.358 18481 564 1 15 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.094 0.213 18481 565 1 15 . 1 1 12 12 GLN H H 12 7.945 7.945 8.980 -1.035 18481 566 1 15 . 1 1 13 13 THR HA H 13 4.169 4.169 4.147 0.022 18481 567 1 15 . 1 1 13 13 THR H H 13 7.745 7.745 7.452 0.293 18481 568 1 15 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.422 -0.005 18481 569 1 15 . 1 1 14 14 TYR H H 14 7.739 7.739 7.619 0.120 18481 570 1 15 . 1 1 15 15 PHE HA H 15 4.517 4.517 5.203 -0.686 18481 571 1 15 . 1 1 15 15 PHE H H 15 8.178 8.178 8.747 -0.569 18481 572 1 15 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.450 -0.158 18481 573 1 15 . 1 1 16 16 GLU H H 16 8.152 8.152 8.269 -0.117 18481 574 1 15 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.589 -0.271 18481 575 1 15 . 1 1 17 17 GLU H H 17 8.002 8.002 8.114 -0.112 18481 576 1 15 . 1 1 18 18 SER HA H 18 4.329 4.329 5.078 -0.749 18481 577 1 15 . 1 1 18 18 SER H H 18 8.036 8.036 8.708 -0.672 18481 578 1 15 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.119 0.216 18481 579 1 15 . 1 1 19 19 ARG H H 19 8.133 8.133 9.487 -1.354 18481 580 1 15 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.293 -0.109 18481 581 1 15 . 1 1 20 20 ILE H H 20 7.823 7.823 7.802 0.021 18481 582 1 15 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.766 -0.241 18481 583 1 15 . 1 1 21 21 ASN H H 21 8.212 8.212 7.414 0.798 18481 584 1 15 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.020 0.214 18481 585 1 15 . 1 1 22 22 GLN H H 22 7.843 7.843 8.578 -0.735 18481 586 1 16 . 1 1 2 2 LEU HA H 2 4.343 4.343 3.510 0.833 18481 587 1 16 . 1 1 2 2 LEU H H 2 8.093 8.093 7.541 0.552 18481 588 1 16 . 1 1 3 3 SER HA H 3 4.275 4.275 4.782 -0.507 18481 589 1 16 . 1 1 3 3 SER H H 3 7.783 7.783 8.429 -0.646 18481 590 1 16 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.637 -0.377 18481 591 1 16 . 1 1 4 4 GLN H H 4 7.962 7.962 7.707 0.255 18481 592 1 16 . 1 1 5 5 GLY H H 5 8.187 8.187 9.240 -1.053 18481 593 1 16 . 1 1 6 6 VAL HA H 6 4.134 4.134 3.662 0.472 18481 594 1 16 . 1 1 6 6 VAL H H 6 7.789 7.789 8.677 -0.888 18481 595 1 16 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.845 -0.285 18481 596 1 16 . 1 1 7 7 GLU H H 7 7.693 7.693 8.616 -0.923 18481 597 1 16 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.537 -0.203 18481 598 1 16 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.655 -0.080 18481 599 1 16 . 1 1 9 9 ASP H H 9 8.195 8.195 8.238 -0.043 18481 600 1 16 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.424 -0.298 18481 601 1 16 . 1 1 10 10 ILE H H 10 7.617 7.617 8.382 -0.765 18481 602 1 16 . 1 1 11 11 GLY H H 11 8.307 8.307 8.377 -0.070 18481 603 1 16 . 1 1 12 12 GLN HA H 12 4.307 4.307 3.997 0.310 18481 604 1 16 . 1 1 12 12 GLN H H 12 7.945 7.945 8.828 -0.883 18481 605 1 16 . 1 1 13 13 THR HA H 13 4.169 4.169 4.096 0.073 18481 606 1 16 . 1 1 13 13 THR H H 13 7.745 7.745 7.423 0.322 18481 607 1 16 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.554 -0.137 18481 608 1 16 . 1 1 14 14 TYR H H 14 7.739 7.739 7.007 0.732 18481 609 1 16 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.691 -0.174 18481 610 1 16 . 1 1 15 15 PHE H H 15 8.178 8.178 8.509 -0.331 18481 611 1 16 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.472 -0.180 18481 612 1 16 . 1 1 16 16 GLU H H 16 8.152 8.152 8.241 -0.089 18481 613 1 16 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.863 -0.545 18481 614 1 16 . 1 1 17 17 GLU H H 17 8.002 8.002 7.931 0.071 18481 615 1 16 . 1 1 18 18 SER HA H 18 4.329 4.329 4.207 0.122 18481 616 1 16 . 1 1 18 18 SER H H 18 8.036 8.036 8.373 -0.337 18481 617 1 16 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.218 0.117 18481 618 1 16 . 1 1 19 19 ARG H H 19 8.133 8.133 8.533 -0.400 18481 619 1 16 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.063 0.121 18481 620 1 16 . 1 1 20 20 ILE H H 20 7.823 7.823 8.073 -0.250 18481 621 1 16 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.473 0.052 18481 622 1 16 . 1 1 21 21 ASN H H 21 8.212 8.212 7.923 0.289 18481 623 1 16 . 1 1 22 22 GLN HA H 22 4.234 4.234 3.876 0.358 18481 624 1 16 . 1 1 22 22 GLN H H 22 7.843 7.843 8.818 -0.975 18481 625 1 17 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.825 -0.482 18481 626 1 17 . 1 1 2 2 LEU H H 2 8.093 8.093 9.336 -1.243 18481 627 1 17 . 1 1 3 3 SER HA H 3 4.275 4.275 4.431 -0.156 18481 628 1 17 . 1 1 3 3 SER H H 3 7.783 7.783 8.993 -1.210 18481 629 1 17 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.354 -0.094 18481 630 1 17 . 1 1 4 4 GLN H H 4 7.962 7.962 9.071 -1.109 18481 631 1 17 . 1 1 5 5 GLY H H 5 8.187 8.187 7.686 0.501 18481 632 1 17 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.803 -0.669 18481 633 1 17 . 1 1 6 6 VAL H H 6 7.789 7.789 8.357 -0.568 18481 634 1 17 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.725 -0.165 18481 635 1 17 . 1 1 7 7 GLU H H 7 7.693 7.693 8.379 -0.686 18481 636 1 17 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.898 -0.564 18481 637 1 17 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.557 0.018 18481 638 1 17 . 1 1 9 9 ASP H H 9 8.195 8.195 8.352 -0.157 18481 639 1 17 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.491 -0.365 18481 640 1 17 . 1 1 10 10 ILE H H 10 7.617 7.617 7.590 0.027 18481 641 1 17 . 1 1 11 11 GLY H H 11 8.307 8.307 8.926 -0.619 18481 642 1 17 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.592 -0.285 18481 643 1 17 . 1 1 12 12 GLN H H 12 7.945 7.945 8.419 -0.474 18481 644 1 17 . 1 1 13 13 THR HA H 13 4.169 4.169 4.015 0.154 18481 645 1 17 . 1 1 13 13 THR H H 13 7.745 7.745 7.846 -0.101 18481 646 1 17 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.098 0.319 18481 647 1 17 . 1 1 14 14 TYR H H 14 7.739 7.739 6.763 0.976 18481 648 1 17 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.717 -0.200 18481 649 1 17 . 1 1 15 15 PHE H H 15 8.178 8.178 8.493 -0.315 18481 650 1 17 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.424 -0.132 18481 651 1 17 . 1 1 16 16 GLU H H 16 8.152 8.152 8.705 -0.553 18481 652 1 17 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.693 -0.375 18481 653 1 17 . 1 1 17 17 GLU H H 17 8.002 8.002 7.684 0.318 18481 654 1 17 . 1 1 18 18 SER HA H 18 4.329 4.329 4.123 0.206 18481 655 1 17 . 1 1 18 18 SER H H 18 8.036 8.036 8.521 -0.485 18481 656 1 17 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.682 -0.347 18481 657 1 17 . 1 1 19 19 ARG H H 19 8.133 8.133 8.821 -0.688 18481 658 1 17 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.336 -0.152 18481 659 1 17 . 1 1 20 20 ILE H H 20 7.823 7.823 8.269 -0.446 18481 660 1 17 . 1 1 21 21 ASN HA H 21 4.525 4.525 5.242 -0.717 18481 661 1 17 . 1 1 21 21 ASN H H 21 8.212 8.212 7.373 0.839 18481 662 1 17 . 1 1 22 22 GLN HA H 22 4.234 4.234 3.962 0.272 18481 663 1 17 . 1 1 22 22 GLN H H 22 7.843 7.843 8.660 -0.817 18481 664 1 18 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.578 -0.235 18481 665 1 18 . 1 1 2 2 LEU H H 2 8.093 8.093 9.593 -1.500 18481 666 1 18 . 1 1 3 3 SER HA H 3 4.275 4.275 4.548 -0.273 18481 667 1 18 . 1 1 3 3 SER H H 3 7.783 7.783 7.720 0.063 18481 668 1 18 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.067 0.193 18481 669 1 18 . 1 1 4 4 GLN H H 4 7.962 7.962 8.394 -0.432 18481 670 1 18 . 1 1 5 5 GLY H H 5 8.187 8.187 8.119 0.068 18481 671 1 18 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.510 -0.376 18481 672 1 18 . 1 1 6 6 VAL H H 6 7.789 7.789 7.963 -0.174 18481 673 1 18 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.790 -0.230 18481 674 1 18 . 1 1 7 7 GLU H H 7 7.693 7.693 8.107 -0.413 18481 675 1 18 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.456 -0.122 18481 676 1 18 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.880 -0.305 18481 677 1 18 . 1 1 9 9 ASP H H 9 8.195 8.195 8.014 0.181 18481 678 1 18 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.519 -0.393 18481 679 1 18 . 1 1 10 10 ILE H H 10 7.617 7.617 8.892 -1.275 18481 680 1 18 . 1 1 11 11 GLY H H 11 8.307 8.307 8.471 -0.164 18481 681 1 18 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.142 0.165 18481 682 1 18 . 1 1 12 12 GLN H H 12 7.945 7.945 8.870 -0.925 18481 683 1 18 . 1 1 13 13 THR HA H 13 4.169 4.169 4.149 0.020 18481 684 1 18 . 1 1 13 13 THR H H 13 7.745 7.745 7.687 0.058 18481 685 1 18 . 1 1 14 14 TYR HA H 14 4.417 4.417 3.768 0.649 18481 686 1 18 . 1 1 14 14 TYR H H 14 7.739 7.739 7.684 0.055 18481 687 1 18 . 1 1 15 15 PHE HA H 15 4.517 4.517 5.181 -0.664 18481 688 1 18 . 1 1 15 15 PHE H H 15 8.178 8.178 8.241 -0.063 18481 689 1 18 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.649 -0.357 18481 690 1 18 . 1 1 16 16 GLU H H 16 8.152 8.152 8.392 -0.240 18481 691 1 18 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.415 -0.097 18481 692 1 18 . 1 1 17 17 GLU H H 17 8.002 8.002 8.344 -0.342 18481 693 1 18 . 1 1 18 18 SER HA H 18 4.329 4.329 4.424 -0.095 18481 694 1 18 . 1 1 18 18 SER H H 18 8.036 8.036 8.555 -0.519 18481 695 1 18 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.334 0.001 18481 696 1 18 . 1 1 19 19 ARG H H 19 8.133 8.133 8.478 -0.345 18481 697 1 18 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.216 -0.032 18481 698 1 18 . 1 1 20 20 ILE H H 20 7.823 7.823 8.387 -0.564 18481 699 1 18 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.504 0.021 18481 700 1 18 . 1 1 21 21 ASN H H 21 8.212 8.212 8.732 -0.520 18481 701 1 18 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.238 -0.004 18481 702 1 18 . 1 1 22 22 GLN H H 22 7.843 7.843 7.650 0.193 18481 703 1 19 . 1 1 2 2 LEU HA H 2 4.343 4.343 3.419 0.924 18481 704 1 19 . 1 1 2 2 LEU H H 2 8.093 8.093 7.351 0.742 18481 705 1 19 . 1 1 3 3 SER HA H 3 4.275 4.275 4.983 -0.708 18481 706 1 19 . 1 1 3 3 SER H H 3 7.783 7.783 7.911 -0.128 18481 707 1 19 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.311 -0.051 18481 708 1 19 . 1 1 4 4 GLN H H 4 7.962 7.962 9.651 -1.689 18481 709 1 19 . 1 1 5 5 GLY H H 5 8.187 8.187 8.661 -0.474 18481 710 1 19 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.383 -0.249 18481 711 1 19 . 1 1 6 6 VAL H H 6 7.789 7.789 8.197 -0.408 18481 712 1 19 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.671 -0.111 18481 713 1 19 . 1 1 7 7 GLU H H 7 7.693 7.693 8.821 -1.128 18481 714 1 19 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.909 -0.575 18481 715 1 19 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.681 -0.106 18481 716 1 19 . 1 1 9 9 ASP H H 9 8.195 8.195 8.644 -0.449 18481 717 1 19 . 1 1 10 10 ILE HA H 10 4.126 4.126 3.766 0.360 18481 718 1 19 . 1 1 10 10 ILE H H 10 7.617 7.617 8.025 -0.408 18481 719 1 19 . 1 1 11 11 GLY H H 11 8.307 8.307 8.486 -0.179 18481 720 1 19 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.034 0.273 18481 721 1 19 . 1 1 12 12 GLN H H 12 7.945 7.945 8.330 -0.385 18481 722 1 19 . 1 1 13 13 THR HA H 13 4.169 4.169 4.214 -0.045 18481 723 1 19 . 1 1 13 13 THR H H 13 7.745 7.745 7.931 -0.186 18481 724 1 19 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.405 0.012 18481 725 1 19 . 1 1 14 14 TYR H H 14 7.739 7.739 7.555 0.184 18481 726 1 19 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.817 -0.300 18481 727 1 19 . 1 1 15 15 PHE H H 15 8.178 8.178 8.703 -0.525 18481 728 1 19 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.782 -0.490 18481 729 1 19 . 1 1 16 16 GLU H H 16 8.152 8.152 8.436 -0.284 18481 730 1 19 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.534 -0.216 18481 731 1 19 . 1 1 17 17 GLU H H 17 8.002 8.002 9.098 -1.096 18481 732 1 19 . 1 1 18 18 SER HA H 18 4.329 4.329 4.378 -0.049 18481 733 1 19 . 1 1 18 18 SER H H 18 8.036 8.036 7.917 0.119 18481 734 1 19 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.123 0.212 18481 735 1 19 . 1 1 19 19 ARG H H 19 8.133 8.133 8.720 -0.587 18481 736 1 19 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.360 -0.176 18481 737 1 19 . 1 1 20 20 ILE H H 20 7.823 7.823 7.950 -0.127 18481 738 1 19 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.152 0.373 18481 739 1 19 . 1 1 21 21 ASN H H 21 8.212 8.212 8.481 -0.269 18481 740 1 19 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.477 -0.243 18481 741 1 19 . 1 1 22 22 GLN H H 22 7.843 7.843 7.819 0.024 18481 742 1 20 . 1 1 2 2 LEU HA H 2 4.343 4.343 4.585 -0.242 18481 743 1 20 . 1 1 2 2 LEU H H 2 8.093 8.093 9.241 -1.148 18481 744 1 20 . 1 1 3 3 SER HA H 3 4.275 4.275 4.360 -0.085 18481 745 1 20 . 1 1 3 3 SER H H 3 7.783 7.783 9.598 -1.815 18481 746 1 20 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.652 -0.392 18481 747 1 20 . 1 1 4 4 GLN H H 4 7.962 7.962 8.866 -0.904 18481 748 1 20 . 1 1 5 5 GLY H H 5 8.187 8.187 7.853 0.334 18481 749 1 20 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.574 -0.440 18481 750 1 20 . 1 1 6 6 VAL H H 6 7.789 7.789 8.137 -0.348 18481 751 1 20 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.156 0.404 18481 752 1 20 . 1 1 7 7 GLU H H 7 7.693 7.693 9.394 -1.701 18481 753 1 20 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.593 -0.259 18481 754 1 20 . 1 1 9 9 ASP HA H 9 4.575 4.575 5.055 -0.480 18481 755 1 20 . 1 1 9 9 ASP H H 9 8.195 8.195 8.003 0.192 18481 756 1 20 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.493 -0.367 18481 757 1 20 . 1 1 10 10 ILE H H 10 7.617 7.617 9.069 -1.452 18481 758 1 20 . 1 1 11 11 GLY H H 11 8.307 8.307 9.037 -0.730 18481 759 1 20 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.078 0.229 18481 760 1 20 . 1 1 12 12 GLN H H 12 7.945 7.945 8.328 -0.383 18481 761 1 20 . 1 1 13 13 THR HA H 13 4.169 4.169 4.205 -0.036 18481 762 1 20 . 1 1 13 13 THR H H 13 7.745 7.745 7.621 0.124 18481 763 1 20 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.218 0.199 18481 764 1 20 . 1 1 14 14 TYR H H 14 7.739 7.739 7.399 0.340 18481 765 1 20 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.615 -0.098 18481 766 1 20 . 1 1 15 15 PHE H H 15 8.178 8.178 8.160 0.018 18481 767 1 20 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.256 0.036 18481 768 1 20 . 1 1 16 16 GLU H H 16 8.152 8.152 8.285 -0.133 18481 769 1 20 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.257 0.061 18481 770 1 20 . 1 1 17 17 GLU H H 17 8.002 8.002 8.793 -0.791 18481 771 1 20 . 1 1 18 18 SER HA H 18 4.329 4.329 4.913 -0.584 18481 772 1 20 . 1 1 18 18 SER H H 18 8.036 8.036 9.061 -1.025 18481 773 1 20 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.363 -0.028 18481 774 1 20 . 1 1 19 19 ARG H H 19 8.133 8.133 8.210 -0.077 18481 775 1 20 . 1 1 20 20 ILE HA H 20 4.184 4.184 3.990 0.194 18481 776 1 20 . 1 1 20 20 ILE H H 20 7.823 7.823 8.266 -0.443 18481 777 1 20 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.734 -0.209 18481 778 1 20 . 1 1 21 21 ASN H H 21 8.212 8.212 7.533 0.679 18481 779 1 20 . 1 1 22 22 GLN HA H 22 4.234 4.234 3.927 0.307 18481 780 1 20 . 1 1 22 22 GLN H H 22 7.843 7.843 8.477 -0.634 18481 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 18481 2 1 1 "Average Difference" HA 23 0.382 0.137 0.364 18481 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18481 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18481 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18481 6 1 1 "Average Difference" HN 20 0.743 0.441 0.614 18481 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18481 8 1 2 "Average Difference" HA 23 0.272 0.061 0.272 18481 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18481 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18481 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18481 12 1 2 "Average Difference" HN 20 0.410 0.226 0.351 18481 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18481 14 1 3 "Average Difference" HA 23 0.473 0.066 0.479 18481 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18481 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18481 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18481 18 1 3 "Average Difference" HN 20 0.663 0.421 0.526 18481 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18481 20 1 4 "Average Difference" HA 23 0.413 0.066 0.417 18481 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18481 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18481 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18481 24 1 4 "Average Difference" HN 20 0.437 0.148 0.422 18481 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18481 26 1 5 "Average Difference" HA 23 0.276 0.031 0.280 18481 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18481 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18481 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18481 30 1 5 "Average Difference" HN 20 0.627 0.385 0.509 18481 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18481 32 1 6 "Average Difference" HA 23 0.551 -0.009 0.564 18481 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18481 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18481 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18481 36 1 6 "Average Difference" HN 20 0.628 0.340 0.542 18481 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18481 38 1 7 "Average Difference" HA 23 0.443 -0.063 0.449 18481 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18481 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18481 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18481 42 1 7 "Average Difference" HN 20 0.754 0.324 0.699 18481 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18481 44 1 8 "Average Difference" HA 23 0.404 -0.012 0.413 18481 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18481 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18481 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18481 48 1 8 "Average Difference" HN 20 0.800 0.435 0.688 18481 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18481 50 1 9 "Average Difference" HA 23 0.299 0.093 0.290 18481 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18481 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18481 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18481 54 1 9 "Average Difference" HN 20 0.559 0.301 0.484 18481 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18481 56 1 10 "Average Difference" HA 23 0.360 0.083 0.358 18481 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18481 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18481 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18481 60 1 10 "Average Difference" HN 20 0.652 0.290 0.599 18481 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18481 62 1 11 "Average Difference" HA 23 0.359 0.176 0.320 18481 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18481 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18481 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18481 66 1 11 "Average Difference" HN 20 0.565 0.328 0.473 18481 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18481 68 1 12 "Average Difference" HA 23 0.268 0.067 0.266 18481 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18481 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18481 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18481 72 1 12 "Average Difference" HN 20 0.568 0.306 0.491 18481 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18481 74 1 13 "Average Difference" HA 23 0.332 0.082 0.328 18481 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18481 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18481 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18481 78 1 13 "Average Difference" HN 20 0.741 0.506 0.555 18481 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18481 80 1 14 "Average Difference" HA 23 0.256 0.114 0.234 18481 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18481 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18481 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18481 84 1 14 "Average Difference" HN 20 0.627 0.290 0.570 18481 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18481 86 1 15 "Average Difference" HA 23 0.336 0.140 0.312 18481 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18481 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18481 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18481 90 1 15 "Average Difference" HN 20 0.643 0.309 0.578 18481 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18481 92 1 16 "Average Difference" HA 23 0.315 0.034 0.320 18481 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18481 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18481 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18481 96 1 16 "Average Difference" HN 20 0.593 0.272 0.541 18481 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18481 98 1 17 "Average Difference" HA 23 0.369 0.223 0.300 18481 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18481 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18481 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18481 102 1 17 "Average Difference" HN 20 0.695 0.341 0.622 18481 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18481 104 1 18 "Average Difference" HA 23 0.283 0.110 0.267 18481 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18481 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18481 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18481 108 1 18 "Average Difference" HN 20 0.565 0.343 0.461 18481 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18481 110 1 19 "Average Difference" HA 23 0.373 0.075 0.373 18481 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18481 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18481 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18481 114 1 19 "Average Difference" HN 20 0.621 0.363 0.517 18481 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18481 116 1 20 "Average Difference" HA 23 0.295 0.106 0.281 18481 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18481 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18481 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18481 120 1 20 "Average Difference" HN 20 0.845 0.495 0.702 18481 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 18481 _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 LEU HA H 2 4.343 4.343 3.974 0.369 18481 2 1 . 1 1 2 2 LEU H H 2 8.093 8.093 8.355 -0.262 18481 3 1 . 1 1 3 3 SER HA H 3 4.275 4.275 4.575 -0.300 18481 4 1 . 1 1 3 3 SER H H 3 7.783 7.783 8.209 -0.426 18481 5 1 . 1 1 4 4 GLN HA H 4 4.260 4.260 4.437 -0.177 18481 6 1 . 1 1 4 4 GLN H H 4 7.962 7.962 8.862 -0.900 18481 7 1 . 1 1 5 5 GLY H H 5 8.187 8.187 8.553 -0.366 18481 8 1 . 1 1 6 6 VAL HA H 6 4.134 4.134 4.269 -0.135 18481 9 1 . 1 1 6 6 VAL H H 6 7.789 7.789 8.314 -0.525 18481 10 1 . 1 1 7 7 GLU HA H 7 4.560 4.560 4.599 -0.039 18481 11 1 . 1 1 7 7 GLU H H 7 7.693 7.693 8.358 -0.665 18481 12 1 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.674 -0.340 18481 13 1 . 1 1 9 9 ASP HA H 9 4.575 4.575 4.724 -0.149 18481 14 1 . 1 1 9 9 ASP H H 9 8.195 8.195 8.302 -0.107 18481 15 1 . 1 1 10 10 ILE HA H 10 4.126 4.126 4.105 0.021 18481 16 1 . 1 1 10 10 ILE H H 10 7.617 7.617 8.400 -0.783 18481 17 1 . 1 1 11 11 GLY H H 11 8.307 8.307 8.149 0.158 18481 18 1 . 1 1 12 12 GLN HA H 12 4.307 4.307 4.117 0.190 18481 19 1 . 1 1 12 12 GLN H H 12 7.945 7.945 8.343 -0.398 18481 20 1 . 1 1 13 13 THR HA H 13 4.169 4.169 4.111 0.058 18481 21 1 . 1 1 13 13 THR H H 13 7.745 7.745 7.802 -0.057 18481 22 1 . 1 1 14 14 TYR HA H 14 4.417 4.417 4.326 0.091 18481 23 1 . 1 1 14 14 TYR H H 14 7.739 7.739 7.414 0.325 18481 24 1 . 1 1 15 15 PHE HA H 15 4.517 4.517 4.877 -0.360 18481 25 1 . 1 1 15 15 PHE H H 15 8.178 8.178 8.533 -0.355 18481 26 1 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.535 -0.243 18481 27 1 . 1 1 16 16 GLU H H 16 8.152 8.152 8.465 -0.313 18481 28 1 . 1 1 17 17 GLU HA H 17 4.318 4.318 4.409 -0.091 18481 29 1 . 1 1 17 17 GLU H H 17 8.002 8.002 8.467 -0.465 18481 30 1 . 1 1 18 18 SER HA H 18 4.329 4.329 4.448 -0.119 18481 31 1 . 1 1 18 18 SER H H 18 8.036 8.036 8.592 -0.556 18481 32 1 . 1 1 19 19 ARG HA H 19 4.335 4.335 4.400 -0.065 18481 33 1 . 1 1 19 19 ARG H H 19 8.133 8.133 8.457 -0.324 18481 34 1 . 1 1 20 20 ILE HA H 20 4.184 4.184 4.104 0.080 18481 35 1 . 1 1 20 20 ILE H H 20 7.823 7.823 8.195 -0.372 18481 36 1 . 1 1 21 21 ASN HA H 21 4.525 4.525 4.643 -0.118 18481 37 1 . 1 1 21 21 ASN H H 21 8.212 8.212 8.148 0.064 18481 38 1 . 1 1 22 22 GLN HA H 22 4.234 4.234 4.312 -0.078 18481 39 1 . 1 1 22 22 GLN H H 22 7.843 7.843 8.377 -0.534 18481 stop_ save_