############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51685 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hetNOE_list _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1 _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 8 '1H-15N heteronoe' . . . 51685 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 1 $software_1 . . 51685 1 2 $software_2 . . 51685 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 LEU N N 15 . 1 1 3 3 LEU H H 1 0.44098 0.00564 . . . . . . . . . . 51685 1 2 . 1 1 4 4 TYR N N 15 . 1 1 4 4 TYR H H 1 0.59369 0.01956 . . . . . . . . . . 51685 1 3 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.59126 0.03165 . . . . . . . . . . 51685 1 4 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.85891 0.00444 . . . . . . . . . . 51685 1 5 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.80524 0.02256 . . . . . . . . . . 51685 1 6 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.69617 0.00897 . . . . . . . . . . 51685 1 7 . 1 1 10 10 TRP N N 15 . 1 1 10 10 TRP H H 1 0.63523 0.00828 . . . . . . . . . . 51685 1 8 . 1 1 11 11 GLY N N 15 . 1 1 11 11 GLY H H 1 0.62873 0.0164 . . . . . . . . . . 51685 1 9 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.76078 0.0293 . . . . . . . . . . 51685 1 10 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.53143 0.01802 . . . . . . . . . . 51685 1 11 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.41653 0.00284 . . . . . . . . . . 51685 1 12 . 1 1 16 16 GLU N N 15 . 1 1 16 16 GLU H H 1 0.63583 0.0151 . . . . . . . . . . 51685 1 13 . 1 1 17 17 GLY N N 15 . 1 1 17 17 GLY H H 1 0.66499 0.0126 . . . . . . . . . . 51685 1 14 . 1 1 18 18 VAL N N 15 . 1 1 18 18 VAL H H 1 0.69835 0.03219 . . . . . . . . . . 51685 1 15 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.65497 0.00884 . . . . . . . . . . 51685 1 16 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.63649 0.02007 . . . . . . . . . . 51685 1 17 . 1 1 21 21 ASN N N 15 . 1 1 21 21 ASN H H 1 0.71049 0.01639 . . . . . . . . . . 51685 1 18 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.7021 0.00676 . . . . . . . . . . 51685 1 19 . 1 1 23 23 ASP N N 15 . 1 1 23 23 ASP H H 1 0.57472 0.00659 . . . . . . . . . . 51685 1 20 . 1 1 24 24 GLU N N 15 . 1 1 24 24 GLU H H 1 0.65306 0.01777 . . . . . . . . . . 51685 1 21 . 1 1 27 27 MET N N 15 . 1 1 27 27 MET H H 1 0.75405 0.00782 . . . . . . . . . . 51685 1 22 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.61903 0.01297 . . . . . . . . . . 51685 1 23 . 1 1 29 29 PHE N N 15 . 1 1 29 29 PHE H H 1 0.82523 0.01936 . . . . . . . . . . 51685 1 24 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.71796 0.0273 . . . . . . . . . . 51685 1 25 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.70713 0.01097 . . . . . . . . . . 51685 1 26 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.71139 0.0155 . . . . . . . . . . 51685 1 27 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.75204 0.01632 . . . . . . . . . . 51685 1 28 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.70773 0.00768 . . . . . . . . . . 51685 1 29 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.76185 0.00694 . . . . . . . . . . 51685 1 30 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.70659 0.00678 . . . . . . . . . . 51685 1 31 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.73515 0.01783 . . . . . . . . . . 51685 1 32 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.63682 0.01465 . . . . . . . . . . 51685 1 33 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.69191 0.01964 . . . . . . . . . . 51685 1 34 . 1 1 43 43 ARG N N 15 . 1 1 43 43 ARG H H 1 0.73296 0.01931 . . . . . . . . . . 51685 1 35 . 1 1 44 44 GLN N N 15 . 1 1 44 44 GLN H H 1 0.72221 0.02605 . . . . . . . . . . 51685 1 36 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.78768 0.0172 . . . . . . . . . . 51685 1 37 . 1 1 46 46 VAL N N 15 . 1 1 46 46 VAL H H 1 0.66694 0.01155 . . . . . . . . . . 51685 1 38 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.62075 0.00243 . . . . . . . . . . 51685 1 39 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.63262 0.00917 . . . . . . . . . . 51685 1 40 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.6445 0.00841 . . . . . . . . . . 51685 1 41 . 1 1 52 52 THR N N 15 . 1 1 52 52 THR H H 1 0.52157 0.00433 . . . . . . . . . . 51685 1 42 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.69809 0.00551 . . . . . . . . . . 51685 1 43 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.6856 0.01926 . . . . . . . . . . 51685 1 44 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.65757 0.01125 . . . . . . . . . . 51685 1 45 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.62895 0.03592 . . . . . . . . . . 51685 1 46 . 1 1 57 57 ASP N N 15 . 1 1 57 57 ASP H H 1 0.67176 0.04374 . . . . . . . . . . 51685 1 47 . 1 1 58 58 TRP N N 15 . 1 1 58 58 TRP H H 1 0.73427 0.01736 . . . . . . . . . . 51685 1 48 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.66158 0.00911 . . . . . . . . . . 51685 1 49 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.60134 0.0186 . . . . . . . . . . 51685 1 50 . 1 1 62 62 LYS N N 15 . 1 1 62 62 LYS H H 1 0.50691 0.00439 . . . . . . . . . . 51685 1 51 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.68957 0.01913 . . . . . . . . . . 51685 1 52 . 1 1 65 65 ASN N N 15 . 1 1 65 65 ASN H H 1 0.67402 0.01557 . . . . . . . . . . 51685 1 53 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY H H 1 0.68126 0.02749 . . . . . . . . . . 51685 1 54 . 1 1 67 67 MET N N 15 . 1 1 67 67 MET H H 1 0.71533 0.01417 . . . . . . . . . . 51685 1 55 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.70749 0.01182 . . . . . . . . . . 51685 1 56 . 1 1 71 71 MET N N 15 . 1 1 71 71 MET H H 1 0.67943 0.01873 . . . . . . . . . . 51685 1 57 . 1 1 72 72 MET N N 15 . 1 1 72 72 MET H H 1 0.62461 0.01116 . . . . . . . . . . 51685 1 58 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.66443 0.00997 . . . . . . . . . . 51685 1 59 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.62033 0.01086 . . . . . . . . . . 51685 1 60 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.61606 0.00968 . . . . . . . . . . 51685 1 61 . 1 1 76 76 ASP N N 15 . 1 1 76 76 ASP H H 1 0.3405 0.01505 . . . . . . . . . . 51685 1 62 . 1 1 77 77 ALA N N 15 . 1 1 77 77 ALA H H 1 0.21963 0.00507 . . . . . . . . . . 51685 1 63 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 0.05767 0.00157 . . . . . . . . . . 51685 1 64 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.06874 0.00688 . . . . . . . . . . 51685 1 65 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 -0.02479 0.00419 . . . . . . . . . . 51685 1 66 . 1 1 83 83 SER N N 15 . 1 1 83 83 SER H H 1 -0.05746 0.00282 . . . . . . . . . . 51685 1 67 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 -0.12774 0.00294 . . . . . . . . . . 51685 1 68 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 -0.14009 0.01257 . . . . . . . . . . 51685 1 69 . 1 1 86 86 THR N N 15 . 1 1 86 86 THR H H 1 0.01237 0.00552 . . . . . . . . . . 51685 1 70 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 -0.14151 0.00732 . . . . . . . . . . 51685 1 71 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.17331 0.00303 . . . . . . . . . . 51685 1 72 . 1 1 89 89 VAL N N 15 . 1 1 89 89 VAL H H 1 -0.02342 0.00033 . . . . . . . . . . 51685 1 73 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.03808 0.00224 . . . . . . . . . . 51685 1 74 . 1 1 91 91 ASP N N 15 . 1 1 91 91 ASP H H 1 0.00147 0.00287 . . . . . . . . . . 51685 1 75 . 1 1 92 92 MET N N 15 . 1 1 92 92 MET H H 1 0.00797 0.0011 . . . . . . . . . . 51685 1 76 . 1 1 93 93 THR N N 15 . 1 1 93 93 THR H H 1 0.05416 0.01701 . . . . . . . . . . 51685 1 77 . 1 1 94 94 GLU N N 15 . 1 1 94 94 GLU H H 1 0.12112 0.00045 . . . . . . . . . . 51685 1 78 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.13536 0.00116 . . . . . . . . . . 51685 1 79 . 1 1 96 96 GLN N N 15 . 1 1 96 96 GLN H H 1 -0.00113 0.00485 . . . . . . . . . . 51685 1 80 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.06295 0.0009 . . . . . . . . . . 51685 1 81 . 1 1 98 98 ALA N N 15 . 1 1 98 98 ALA H H 1 0.14711 0.00444 . . . . . . . . . . 51685 1 82 . 1 1 99 99 SER N N 15 . 1 1 99 99 SER H H 1 0.16617 0.01373 . . . . . . . . . . 51685 1 83 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.11235 0.00611 . . . . . . . . . . 51685 1 84 . 1 1 101 101 MET N N 15 . 1 1 101 101 MET H H 1 0.04735 0.01112 . . . . . . . . . . 51685 1 stop_ save_