############################## # Heteronuclear NOE values # ############################## save_backbone_15N_Het_NOE_500 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode backbone_15N_Het_NOE_500 _Heteronucl_NOE_list.Entry_ID 27721 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 499260345 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 11 '{H}-15N NOE' . . . 27721 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $Analysis . . 27721 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.643425 0.045185 . . . 115 ILE N . 115 ILE H 27721 1 2 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.586979 0.059770 . . . 116 VAL N . 116 VAL H 27721 1 3 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.683344 0.073655 . . . 118 TYR N . 118 TYR H 27721 1 4 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.551685 0.071347 . . . 119 ASN N . 119 ASN H 27721 1 5 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.651094 0.061378 . . . 120 LEU N . 120 LEU H 27721 1 6 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.720041 0.055226 . . . 122 LEU N . 122 LEU H 27721 1 7 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.710836 0.048170 . . . 125 GLY N . 125 GLY H 27721 1 8 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.712208 0.060030 . . . 126 VAL N . 126 VAL H 27721 1 9 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.714327 0.069784 . . . 127 VAL N . 127 VAL H 27721 1 10 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.603769 0.066533 . . . 129 ARG N . 129 ARG H 27721 1 11 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.765853 0.063564 . . . 130 MET N . 130 MET H 27721 1 12 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.726043 0.076072 . . . 131 LEU N . 131 LEU H 27721 1 13 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.687143 0.057011 . . . 132 ILE N . 132 ILE H 27721 1 14 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.734297 0.056513 . . . 134 ILE N . 134 ILE H 27721 1 15 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.753312 0.065182 . . . 135 LEU N . 135 LEU H 27721 1 16 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.653220 0.048833 . . . 136 GLY N . 136 GLY H 27721 1 17 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.777489 0.066157 . . . 137 THR N . 137 THR H 27721 1 18 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.708829 0.102739 . . . 139 LYS N . 139 LYS H 27721 1 19 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.646910 0.040146 . . . 142 ALA N . 142 ALA H 27721 1 20 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.631055 0.088204 . . . 143 ASN N . 143 ASN H 27721 1 21 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.642329 0.057908 . . . 145 ILE N . 145 ILE H 27721 1 22 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.566791 0.080337 . . . 146 ALA N . 146 ALA H 27721 1 23 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.747286 0.176938 . . . 147 LEU N . 147 LEU H 27721 1 24 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.576730 0.068011 . . . 148 ASP N . 148 ASP H 27721 1 25 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.688468 0.072584 . . . 150 GLN N . 150 GLN H 27721 1 26 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.815497 0.077687 . . . 151 ARG N . 151 ARG H 27721 1 27 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.756070 0.058412 . . . 154 ASP N . 154 ASP H 27721 1 28 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.751752 0.117931 . . . 155 VAL N . 155 VAL H 27721 1 29 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.701854 0.057043 . . . 157 PHE N . 157 PHE H 27721 1 30 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.469921 0.102476 . . . 158 HIS N . 158 HIS H 27721 1 31 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.801009 0.086125 . . . 159 PHE N . 159 PHE H 27721 1 32 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.645173 0.101485 . . . 163 PHE N . 163 PHE H 27721 1 33 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.731958 0.073601 . . . 167 ASN N . 167 ASN H 27721 1 34 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.678620 0.039545 . . . 168 ARG N . 168 ARG H 27721 1 35 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.724339 0.060537 . . . 169 ARG N . 169 ARG H 27721 1 36 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.698043 0.072084 . . . 170 VAL N . 170 VAL H 27721 1 37 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.000000 0.000000 . . . 171 ILE N . 171 ILE H 27721 1 38 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.739249 0.099927 . . . 172 VAL N . 172 VAL H 27721 1 39 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.636369 0.072516 . . . 173 CYS N . 173 CYS H 27721 1 40 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.714216 0.066999 . . . 174 ASN N . 174 ASN H 27721 1 41 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.831445 0.102361 . . . 175 THR N . 175 THR H 27721 1 42 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.657552 0.093345 . . . 176 LYS N . 176 LYS H 27721 1 43 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.720012 0.057856 . . . 177 LEU N . 177 LEU H 27721 1 44 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.630289 0.055896 . . . 178 ASP N . 178 ASP H 27721 1 45 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.706135 0.075255 . . . 179 ASN N . 179 ASN H 27721 1 46 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.782471 0.044019 . . . 180 ASN N . 180 ASN H 27721 1 47 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.694727 0.067815 . . . 181 TRP N . 181 TRP H 27721 1 48 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.674294 0.058239 . . . 182 GLY N . 182 GLY H 27721 1 49 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.000000 0.000000 . . . 183 ARG N . 183 ARG H 27721 1 50 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.616646 0.113272 . . . 186 ARG N . 186 ARG H 27721 1 51 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.744443 0.116117 . . . 187 GLN N . 187 GLN H 27721 1 52 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.812033 0.073774 . . . 189 VAL N . 189 VAL H 27721 1 53 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.780613 0.075967 . . . 190 PHE N . 190 PHE H 27721 1 54 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.649421 0.048564 . . . 192 PHE N . 192 PHE H 27721 1 55 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.615245 0.076114 . . . 194 SER N . 194 SER H 27721 1 56 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.809417 0.093447 . . . 195 GLY N . 195 GLY H 27721 1 57 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.756157 0.052190 . . . 196 LYS N . 196 LYS H 27721 1 58 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.716241 0.067144 . . . 198 PHE N . 198 PHE H 27721 1 59 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.799651 0.064039 . . . 199 LYS N . 199 LYS H 27721 1 60 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.770783 0.053193 . . . 200 ILE N . 200 ILE H 27721 1 61 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.818297 0.068565 . . . 202 VAL N . 202 VAL H 27721 1 62 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.641556 0.066272 . . . 203 LEU N . 203 LEU H 27721 1 63 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.714218 0.078364 . . . 204 VAL N . 204 VAL H 27721 1 64 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.822787 0.107742 . . . 207 ASP N . 207 ASP H 27721 1 65 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.754328 0.068053 . . . 208 HIS N . 208 HIS H 27721 1 66 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.853794 0.093978 . . . 209 PHE N . 209 PHE H 27721 1 67 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.653016 0.058665 . . . 210 LYS N . 210 LYS H 27721 1 68 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.600848 0.056629 . . . 212 ALA N . 212 ALA H 27721 1 69 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.694335 0.065037 . . . 213 VAL N . 213 VAL H 27721 1 70 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.665369 0.056225 . . . 214 ASN N . 214 ASN H 27721 1 71 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.707593 0.061920 . . . 215 ASP N . 215 ASP H 27721 1 72 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.708608 0.040020 . . . 216 ALA N . 216 ALA H 27721 1 73 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.791194 0.068185 . . . 219 LEU N . 219 LEU H 27721 1 74 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.551024 0.058366 . . . 220 GLN N . 220 GLN H 27721 1 75 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.781073 0.096165 . . . 222 ASN N . 222 ASN H 27721 1 76 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.666212 0.063779 . . . 223 HIS N . 223 HIS H 27721 1 77 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.674943 0.094131 . . . 224 ARG N . 224 ARG H 27721 1 78 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.660633 0.078570 . . . 225 VAL N . 225 VAL H 27721 1 79 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.642073 0.093647 . . . 227 LYS N . 227 LYS H 27721 1 80 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.693565 0.056813 . . . 228 LEU N . 228 LEU H 27721 1 81 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.713211 0.049182 . . . 229 ASN N . 229 ASN H 27721 1 82 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.713469 0.051421 . . . 230 GLU N . 230 GLU H 27721 1 83 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.785124 0.054051 . . . 231 ILE N . 231 ILE H 27721 1 84 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.708047 0.060007 . . . 232 SER N . 232 SER H 27721 1 85 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.813813 0.059033 . . . 233 LYS N . 233 LYS H 27721 1 86 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.708254 0.062528 . . . 234 LEU N . 234 LEU H 27721 1 87 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.728295 0.082181 . . . 235 GLY N . 235 GLY H 27721 1 88 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.748900 0.165581 . . . 238 GLY N . 238 GLY H 27721 1 89 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.651456 0.117500 . . . 239 ASP N . 239 ASP H 27721 1 90 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.848434 0.125814 . . . 240 ILE N . 240 ILE H 27721 1 91 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.564173 0.066181 . . . 241 ASP N . 241 ASP H 27721 1 92 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.651717 0.059545 . . . 242 LEU N . 242 LEU H 27721 1 93 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.703795 0.092108 . . . 243 THR N . 243 THR H 27721 1 94 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.786224 0.053678 . . . 244 SER N . 244 SER H 27721 1 95 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.761892 0.051452 . . . 245 ALA N . 245 ALA H 27721 1 96 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.701940 0.048616 . . . 246 SER N . 246 SER H 27721 1 97 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.753384 0.052015 . . . 247 TYR N . 247 TYR H 27721 1 98 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.733982 0.057272 . . . 248 THR N . 248 THR H 27721 1 99 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.705275 0.047274 . . . 249 MET N . 249 MET H 27721 1 100 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.539740 0.049555 . . . 250 ILE N . 250 ILE H 27721 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_backbone_15N_Het_NOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode backbone_15N_Het_NOE_600 _Heteronucl_NOE_list.Entry_ID 27721 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 599882216 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 11 '{H}-15N NOE' . . . 27721 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $Analysis . . 27721 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.494161 0.034245 . . . 115 ILE N . 115 ILE H 27721 2 2 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.496268 0.049100 . . . 116 VAL N . 116 VAL H 27721 2 3 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.541756 0.048055 . . . 118 TYR N . 118 TYR H 27721 2 4 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.606723 0.063412 . . . 119 ASN N . 119 ASN H 27721 2 5 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.656408 0.051964 . . . 120 LEU N . 120 LEU H 27721 2 6 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.614097 0.039160 . . . 122 LEU N . 122 LEU H 27721 2 7 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.597415 0.035785 . . . 125 GLY N . 125 GLY H 27721 2 8 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.615455 0.041783 . . . 126 VAL N . 126 VAL H 27721 2 9 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.726168 0.053742 . . . 127 VAL N . 127 VAL H 27721 2 10 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.677955 0.052990 . . . 129 ARG N . 129 ARG H 27721 2 11 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.578645 0.035737 . . . 130 MET N . 130 MET H 27721 2 12 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.686131 0.055639 . . . 131 LEU N . 131 LEU H 27721 2 13 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.651040 0.044916 . . . 132 ILE N . 132 ILE H 27721 2 14 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.698112 0.043046 . . . 134 ILE N . 134 ILE H 27721 2 15 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.655204 0.042333 . . . 135 LEU N . 135 LEU H 27721 2 16 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.653464 0.036873 . . . 136 GLY N . 136 GLY H 27721 2 17 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.656103 0.043701 . . . 137 THR N . 137 THR H 27721 2 18 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.584717 0.079324 . . . 139 LYS N . 139 LYS H 27721 2 19 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.508901 0.027385 . . . 142 ALA N . 142 ALA H 27721 2 20 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.533156 0.066398 . . . 143 ASN N . 143 ASN H 27721 2 21 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.634486 0.053596 . . . 145 ILE N . 145 ILE H 27721 2 22 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.568313 0.056715 . . . 146 ALA N . 146 ALA H 27721 2 23 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.625446 0.113475 . . . 147 LEU N . 147 LEU H 27721 2 24 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.545477 0.045347 . . . 148 ASP N . 148 ASP H 27721 2 25 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.689524 0.052019 . . . 150 GLN N . 150 GLN H 27721 2 26 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.557963 0.044395 . . . 151 ARG N . 151 ARG H 27721 2 27 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.690927 0.044326 . . . 154 ASP N . 154 ASP H 27721 2 28 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.526571 0.061492 . . . 155 VAL N . 155 VAL H 27721 2 29 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.585990 0.046565 . . . 157 PHE N . 157 PHE H 27721 2 30 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.739160 0.098035 . . . 158 HIS N . 158 HIS H 27721 2 31 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.633108 0.057021 . . . 159 PHE N . 159 PHE H 27721 2 32 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.678307 0.093329 . . . 163 PHE N . 163 PHE H 27721 2 33 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.588049 0.049924 . . . 167 ASN N . 167 ASN H 27721 2 34 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.556749 0.034961 . . . 168 ARG N . 168 ARG H 27721 2 35 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.530028 0.040998 . . . 169 ARG N . 169 ARG H 27721 2 36 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.598712 0.048585 . . . 170 VAL N . 170 VAL H 27721 2 37 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.605627 0.070704 . . . 171 ILE N . 171 ILE H 27721 2 38 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.676490 0.073098 . . . 172 VAL N . 172 VAL H 27721 2 39 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.586020 0.054273 . . . 173 CYS N . 173 CYS H 27721 2 40 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.579931 0.043698 . . . 174 ASN N . 174 ASN H 27721 2 41 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.582962 0.065248 . . . 175 THR N . 175 THR H 27721 2 42 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.661304 0.065535 . . . 176 LYS N . 176 LYS H 27721 2 43 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.650771 0.050390 . . . 177 LEU N . 177 LEU H 27721 2 44 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.584390 0.048739 . . . 178 ASP N . 178 ASP H 27721 2 45 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.611975 0.049015 . . . 179 ASN N . 179 ASN H 27721 2 46 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.647392 0.033269 . . . 180 ASN N . 180 ASN H 27721 2 47 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.624077 0.046737 . . . 181 TRP N . 181 TRP H 27721 2 48 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.644532 0.050088 . . . 182 GLY N . 182 GLY H 27721 2 49 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.612664 0.039769 . . . 183 ARG N . 183 ARG H 27721 2 50 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.545911 0.085763 . . . 186 ARG N . 186 ARG H 27721 2 51 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.684420 0.080239 . . . 187 GLN N . 187 GLN H 27721 2 52 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.583224 0.043866 . . . 189 VAL N . 189 VAL H 27721 2 53 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.627225 0.060143 . . . 190 PHE N . 190 PHE H 27721 2 54 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.665757 0.044936 . . . 192 PHE N . 192 PHE H 27721 2 55 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.564808 0.051576 . . . 194 SER N . 194 SER H 27721 2 56 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.550333 0.048244 . . . 195 GLY N . 195 GLY H 27721 2 57 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.541939 0.030518 . . . 196 LYS N . 196 LYS H 27721 2 58 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.630082 0.041496 . . . 198 PHE N . 198 PHE H 27721 2 59 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.616283 0.047220 . . . 199 LYS N . 199 LYS H 27721 2 60 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.647033 0.040290 . . . 200 ILE N . 200 ILE H 27721 2 61 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.722552 0.050006 . . . 202 VAL N . 202 VAL H 27721 2 62 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.715628 0.055346 . . . 203 LEU N . 203 LEU H 27721 2 63 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.648005 0.050642 . . . 204 VAL N . 204 VAL H 27721 2 64 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.652504 0.074025 . . . 207 ASP N . 207 ASP H 27721 2 65 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.588649 0.041875 . . . 208 HIS N . 208 HIS H 27721 2 66 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.656893 0.052894 . . . 209 PHE N . 209 PHE H 27721 2 67 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.588460 0.053172 . . . 210 LYS N . 210 LYS H 27721 2 68 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.623746 0.041767 . . . 212 ALA N . 212 ALA H 27721 2 69 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.603367 0.041172 . . . 213 VAL N . 213 VAL H 27721 2 70 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.656750 0.046625 . . . 214 ASN N . 214 ASN H 27721 2 71 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.600523 0.041431 . . . 215 ASP N . 215 ASP H 27721 2 72 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.637840 0.034608 . . . 216 ALA N . 216 ALA H 27721 2 73 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.738167 0.066354 . . . 219 LEU N . 219 LEU H 27721 2 74 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.623934 0.045700 . . . 220 GLN N . 220 GLN H 27721 2 75 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.651235 0.061979 . . . 222 ASN N . 222 ASN H 27721 2 76 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.643193 0.046593 . . . 223 HIS N . 223 HIS H 27721 2 77 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.594353 0.062824 . . . 224 ARG N . 224 ARG H 27721 2 78 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.594718 0.059787 . . . 225 VAL N . 225 VAL H 27721 2 79 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.515084 0.058234 . . . 227 LYS N . 227 LYS H 27721 2 80 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.642469 0.049500 . . . 228 LEU N . 228 LEU H 27721 2 81 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.626651 0.038395 . . . 229 ASN N . 229 ASN H 27721 2 82 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.591662 0.040330 . . . 230 GLU N . 230 GLU H 27721 2 83 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.622631 0.039417 . . . 231 ILE N . 231 ILE H 27721 2 84 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.578183 0.045161 . . . 232 SER N . 232 SER H 27721 2 85 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.643757 0.037276 . . . 233 LYS N . 233 LYS H 27721 2 86 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.607985 0.042371 . . . 234 LEU N . 234 LEU H 27721 2 87 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.636777 0.055165 . . . 235 GLY N . 235 GLY H 27721 2 88 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.561068 0.098080 . . . 238 GLY N . 238 GLY H 27721 2 89 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.524383 0.077522 . . . 239 ASP N . 239 ASP H 27721 2 90 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.546250 0.077198 . . . 240 ILE N . 240 ILE H 27721 2 91 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.692833 0.048225 . . . 241 ASP N . 241 ASP H 27721 2 92 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.616713 0.040486 . . . 242 LEU N . 242 LEU H 27721 2 93 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.616338 0.051783 . . . 243 THR N . 243 THR H 27721 2 94 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.626077 0.037263 . . . 244 SER N . 244 SER H 27721 2 95 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.598348 0.039819 . . . 245 ALA N . 245 ALA H 27721 2 96 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.614630 0.033569 . . . 246 SER N . 246 SER H 27721 2 97 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.639108 0.037659 . . . 247 TYR N . 247 TYR H 27721 2 98 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.667906 0.041504 . . . 248 THR N . 248 THR H 27721 2 99 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.624054 0.036986 . . . 249 MET N . 249 MET H 27721 2 100 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.603928 0.038934 . . . 250 ILE N . 250 ILE H 27721 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_backbone_15N_Het_NOE_900 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode backbone_15N_Het_NOE_900 _Heteronucl_NOE_list.Entry_ID 27721 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 899894229 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 11 '{H}-15N NOE' . . . 27721 3 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $VNMRJ . . 27721 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.709082 0.013668 . . . 115 ILE N . 115 ILE H 27721 3 2 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.680475 0.022675 . . . 116 VAL N . 116 VAL H 27721 3 3 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.856535 0.027184 . . . 118 TYR N . 118 TYR H 27721 3 4 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.869522 0.029786 . . . 119 ASN N . 119 ASN H 27721 3 5 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.807569 0.023057 . . . 120 LEU N . 120 LEU H 27721 3 6 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.829752 0.016792 . . . 122 LEU N . 122 LEU H 27721 3 7 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.833114 0.016442 . . . 125 GLY N . 125 GLY H 27721 3 8 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.778905 0.017301 . . . 126 VAL N . 126 VAL H 27721 3 9 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.799675 0.017458 . . . 127 VAL N . 127 VAL H 27721 3 10 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.842756 0.021227 . . . 129 ARG N . 129 ARG H 27721 3 11 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.845050 0.019035 . . . 130 MET N . 130 MET H 27721 3 12 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.878321 0.024145 . . . 131 LEU N . 131 LEU H 27721 3 13 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.855060 0.019891 . . . 132 ILE N . 132 ILE H 27721 3 14 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.858033 0.017393 . . . 134 ILE N . 134 ILE H 27721 3 15 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.886835 0.017291 . . . 135 LEU N . 135 LEU H 27721 3 16 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.844346 0.016604 . . . 136 GLY N . 136 GLY H 27721 3 17 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.836993 0.017870 . . . 137 THR N . 137 THR H 27721 3 18 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.868564 0.037966 . . . 139 LYS N . 139 LYS H 27721 3 19 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.738318 0.011920 . . . 142 ALA N . 142 ALA H 27721 3 20 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.840644 0.042056 . . . 143 ASN N . 143 ASN H 27721 3 21 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.844226 0.022159 . . . 145 ILE N . 145 ILE H 27721 3 22 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.854006 0.028530 . . . 146 ALA N . 146 ALA H 27721 3 23 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.875835 0.048660 . . . 147 LEU N . 147 LEU H 27721 3 24 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.863158 0.025268 . . . 148 ASP N . 148 ASP H 27721 3 25 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.841694 0.019952 . . . 150 GLN N . 150 GLN H 27721 3 26 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.853701 0.023816 . . . 151 ARG N . 151 ARG H 27721 3 27 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.815247 0.017032 . . . 154 ASP N . 154 ASP H 27721 3 28 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.818561 0.029943 . . . 155 VAL N . 155 VAL H 27721 3 29 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.850907 0.021124 . . . 157 PHE N . 157 PHE H 27721 3 30 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.812068 0.057047 . . . 158 HIS N . 158 HIS H 27721 3 31 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.859562 0.027083 . . . 159 PHE N . 159 PHE H 27721 3 32 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.822671 0.037267 . . . 163 PHE N . 163 PHE H 27721 3 33 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.786869 0.024362 . . . 167 ASN N . 167 ASN H 27721 3 34 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.780236 0.013359 . . . 168 ARG N . 168 ARG H 27721 3 35 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.783518 0.017784 . . . 169 ARG N . 169 ARG H 27721 3 36 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.831502 0.022426 . . . 170 VAL N . 170 VAL H 27721 3 37 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.841479 0.036003 . . . 171 ILE N . 171 ILE H 27721 3 38 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.865186 0.036469 . . . 172 VAL N . 172 VAL H 27721 3 39 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.888188 0.028341 . . . 173 CYS N . 173 CYS H 27721 3 40 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.830997 0.019632 . . . 174 ASN N . 174 ASN H 27721 3 41 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.835937 0.033991 . . . 175 THR N . 175 THR H 27721 3 42 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.880836 0.031923 . . . 176 LYS N . 176 LYS H 27721 3 43 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.848154 0.020706 . . . 177 LEU N . 177 LEU H 27721 3 44 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.827046 0.022995 . . . 178 ASP N . 178 ASP H 27721 3 45 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.857445 0.028268 . . . 179 ASN N . 179 ASN H 27721 3 46 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.781122 0.013050 . . . 180 ASN N . 180 ASN H 27721 3 47 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.852973 0.019411 . . . 181 TRP N . 181 TRP H 27721 3 48 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.834812 0.020120 . . . 182 GLY N . 182 GLY H 27721 3 49 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.851994 0.019524 . . . 183 ARG N . 183 ARG H 27721 3 50 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.800377 0.047132 . . . 186 ARG N . 186 ARG H 27721 3 51 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.803511 0.030508 . . . 187 GLN N . 187 GLN H 27721 3 52 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.804007 0.019679 . . . 189 VAL N . 189 VAL H 27721 3 53 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.837362 0.023693 . . . 190 PHE N . 190 PHE H 27721 3 54 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.751653 0.014868 . . . 192 PHE N . 192 PHE H 27721 3 55 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.809869 0.022912 . . . 194 SER N . 194 SER H 27721 3 56 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.831989 0.026871 . . . 195 GLY N . 195 GLY H 27721 3 57 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.835969 0.015937 . . . 196 LYS N . 196 LYS H 27721 3 58 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.864628 0.019348 . . . 198 PHE N . 198 PHE H 27721 3 59 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.806721 0.018597 . . . 199 LYS N . 199 LYS H 27721 3 60 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.869616 0.018639 . . . 200 ILE N . 200 ILE H 27721 3 61 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.898928 0.020063 . . . 202 VAL N . 202 VAL H 27721 3 62 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.907878 0.032266 . . . 203 LEU N . 203 LEU H 27721 3 63 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.875899 0.026943 . . . 204 VAL N . 204 VAL H 27721 3 64 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.846686 0.046878 . . . 207 ASP N . 207 ASP H 27721 3 65 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.851504 0.026382 . . . 208 HIS N . 208 HIS H 27721 3 66 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.851287 0.025937 . . . 209 PHE N . 209 PHE H 27721 3 67 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.833746 0.028039 . . . 210 LYS N . 210 LYS H 27721 3 68 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.877028 0.021917 . . . 212 ALA N . 212 ALA H 27721 3 69 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.835725 0.021498 . . . 213 VAL N . 213 VAL H 27721 3 70 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.850117 0.021230 . . . 214 ASN N . 214 ASN H 27721 3 71 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.855392 0.020236 . . . 215 ASP N . 215 ASP H 27721 3 72 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.834894 0.014393 . . . 216 ALA N . 216 ALA H 27721 3 73 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.835326 0.028813 . . . 219 LEU N . 219 LEU H 27721 3 74 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.858139 0.019359 . . . 220 GLN N . 220 GLN H 27721 3 75 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.917030 0.036596 . . . 222 ASN N . 222 ASN H 27721 3 76 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.864799 0.024531 . . . 223 HIS N . 223 HIS H 27721 3 77 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.836781 0.029589 . . . 224 ARG N . 224 ARG H 27721 3 78 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.778346 0.023868 . . . 225 VAL N . 225 VAL H 27721 3 79 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.719457 0.027444 . . . 227 LYS N . 227 LYS H 27721 3 80 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.821667 0.018223 . . . 228 LEU N . 228 LEU H 27721 3 81 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.837977 0.015226 . . . 229 ASN N . 229 ASN H 27721 3 82 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.826702 0.017376 . . . 230 GLU N . 230 GLU H 27721 3 83 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.812482 0.018176 . . . 231 ILE N . 231 ILE H 27721 3 84 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.697858 0.016199 . . . 232 SER N . 232 SER H 27721 3 85 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.843519 0.014247 . . . 233 LYS N . 233 LYS H 27721 3 86 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.874384 0.019086 . . . 234 LEU N . 234 LEU H 27721 3 87 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.831753 0.031169 . . . 235 GLY N . 235 GLY H 27721 3 88 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.853876 0.048761 . . . 238 GLY N . 238 GLY H 27721 3 89 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.826442 0.039222 . . . 239 ASP N . 239 ASP H 27721 3 90 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.823997 0.036803 . . . 240 ILE N . 240 ILE H 27721 3 91 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.858043 0.019386 . . . 241 ASP N . 241 ASP H 27721 3 92 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.820391 0.022752 . . . 242 LEU N . 242 LEU H 27721 3 93 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.840502 0.023237 . . . 243 THR N . 243 THR H 27721 3 94 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.875240 0.017884 . . . 244 SER N . 244 SER H 27721 3 95 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.855321 0.015266 . . . 245 ALA N . 245 ALA H 27721 3 96 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.849738 0.015596 . . . 246 SER N . 246 SER H 27721 3 97 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.838972 0.014743 . . . 247 TYR N . 247 TYR H 27721 3 98 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.811339 0.015710 . . . 248 THR N . 248 THR H 27721 3 99 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.806389 0.013698 . . . 249 MET N . 249 MET H 27721 3 100 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.795579 0.016323 . . . 250 ILE N . 250 ILE H 27721 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_Arg_Ne_Het_NOE_500 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode Arg_Ne_Het_NOE_500 _Heteronucl_NOE_list.Entry_ID 27721 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 499260345 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 2 '2D 1H-15N HSQC' . . . 27721 4 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $Analysis . . 27721 4 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 17 17 ARG NE N 15 . 1 1 17 17 ARG HE H 1 0.206684 0.034300 . . . 129 ARG NE . 129 ARG HE 27721 4 2 . 1 1 50 50 ARG NE N 15 . 1 1 50 50 ARG HE H 1 0.758271 0.095556 . . . 162 ARG NE . 162 ARG HE 27721 4 3 . 1 1 56 56 ARG NE N 15 . 1 1 56 56 ARG HE H 1 0.440710 0.034177 . . . 168 ARG NE . 168 ARG HE 27721 4 4 . 1 1 74 74 ARG NE N 15 . 1 1 74 74 ARG HE H 1 0.663446 0.082151 . . . 186 ARG NE . 186 ARG HE 27721 4 5 . 1 1 112 112 ARG NE N 15 . 1 1 112 112 ARG HE H 1 0.713325 0.036203 . . . 224 ARG NE . 224 ARG HE 27721 4 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_Arg_Ne_Het_NOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode Arg_Ne_Het_NOE_600 _Heteronucl_NOE_list.Entry_ID 27721 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 599882216 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 11 '{H}-15N NOE' . . . 27721 5 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $Analysis . . 27721 5 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 17 17 ARG NE N 15 . 1 1 17 17 ARG HE H 1 0.135442 0.017669 . . . 129 ARG NE . 129 ARG HE 27721 5 2 . 1 1 50 50 ARG NE N 15 . 1 1 50 50 ARG HE H 1 0.705685 0.061847 . . . 162 ARG NE . 162 ARG HE 27721 5 3 . 1 1 56 56 ARG NE N 15 . 1 1 56 56 ARG HE H 1 0.421443 0.021549 . . . 168 ARG NE . 168 ARG HE 27721 5 4 . 1 1 74 74 ARG NE N 15 . 1 1 74 74 ARG HE H 1 0.743633 0.053628 . . . 186 ARG NE . 186 ARG HE 27721 5 5 . 1 1 112 112 ARG NE N 15 . 1 1 112 112 ARG HE H 1 0.759183 0.028799 . . . 224 ARG NE . 224 ARG HE 27721 5 stop_ save_