############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 17698 _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 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type na _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details invinoef3gpsi _Heteronucl_NOE_list.Text_data_format '; using sensitivity improvemen' _Heteronucl_NOE_list.Text_data 'for measuring H1-N15 NOE' 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 1 '3D 1H-15N NOESY' . . . 17698 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 4 4 LEU H H 1 . 1 1 4 4 LEU N N 15 -0.523449310492 0.0010 . . . 13 LEU H . 13 LEU N 17698 1 2 . 1 1 5 5 GLU H H 1 . 1 1 5 5 GLU N N 15 0.0225200959025 0.0010 . . . 14 GLU H . 14 GLU N 17698 1 3 . 1 1 6 6 THR H H 1 . 1 1 6 6 THR N N 15 0.542452233438 0.0020 . . . 15 THR H . 15 THR N 17698 1 4 . 1 1 7 7 PHE H H 1 . 1 1 7 7 PHE N N 15 0.725900701545 0.0020 . . . 16 PHE H . 16 PHE N 17698 1 5 . 1 1 9 9 LEU H H 1 . 1 1 9 9 LEU N N 15 0.655445805259 0.0010 . . . 18 LEU H . 18 LEU N 17698 1 6 . 1 1 10 10 ASP H H 1 . 1 1 10 10 ASP N N 15 0.685739694832 0.0010 . . . 19 ASP H . 19 ASP N 17698 1 7 . 1 1 11 11 VAL H H 1 . 1 1 11 11 VAL N N 15 0.705008313539 0.0020 . . . 20 VAL H . 20 VAL N 17698 1 8 . 1 1 12 12 LEU H H 1 . 1 1 12 12 LEU N N 15 0.728107013577 0.0030 . . . 21 LEU H . 21 LEU N 17698 1 9 . 1 1 13 13 VAL H H 1 . 1 1 13 13 VAL N N 15 0.699224953643 0.0020 . . . 22 VAL H . 22 VAL N 17698 1 10 . 1 1 14 14 ASN H H 1 . 1 1 14 14 ASN N N 15 -1.17567754576 0.013 . . . 23 ASN H . 23 ASN N 17698 1 11 . 1 1 15 15 THR H H 1 . 1 1 15 15 THR N N 15 0.565964943772 0.0020 . . . 24 THR H . 24 THR N 17698 1 12 . 1 1 16 16 ALA H H 1 . 1 1 16 16 ALA N N 15 0.678920569927 0.0020 . . . 25 ALA H . 25 ALA N 17698 1 13 . 1 1 17 17 ALA H H 1 . 1 1 17 17 ALA N N 15 0.622517859295 0.0010 . . . 26 ALA H . 26 ALA N 17698 1 14 . 1 1 18 18 GLU H H 1 . 1 1 18 18 GLU N N 15 0.700499097439 0.0020 . . . 27 GLU H . 27 GLU N 17698 1 15 . 1 1 19 19 ASP H H 1 . 1 1 19 19 ASP N N 15 0.692361341776 0.0020 . . . 28 ASP H . 28 ASP N 17698 1 16 . 1 1 20 20 LEU H H 1 . 1 1 20 20 LEU N N 15 0.669513354153 0.0020 . . . 29 LEU H . 29 LEU N 17698 1 17 . 1 1 22 22 ARG H H 1 . 1 1 22 22 ARG N N 15 0.75458787 0.0010 . . . 31 ARG H . 31 ARG N 17698 1 18 . 1 1 23 23 GLY H H 1 . 1 1 23 23 GLY N N 15 0.674310698817 0.0030 . . . 32 GLY H . 32 GLY N 17698 1 19 . 1 1 24 24 VAL H H 1 . 1 1 24 24 VAL N N 15 0.75213661304 0.0020 . . . 33 VAL H . 33 VAL N 17698 1 20 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.759026448394 0.0070 . . . 34 ASP H . 34 ASP N 17698 1 21 . 1 1 27 27 SER H H 1 . 1 1 27 27 SER N N 15 0.729595830268 0.0020 . . . 36 SER H . 36 SER N 17698 1 22 . 1 1 28 28 ARG H H 1 . 1 1 28 28 ARG N N 15 0.705694612047 0.0020 . . . 37 ARG H . 37 ARG N 17698 1 23 . 1 1 29 29 LYS H H 1 . 1 1 29 29 LYS N N 15 0.777538933194 0.0020 . . . 38 LYS H . 38 LYS N 17698 1 24 . 1 1 30 30 GLU H H 1 . 1 1 30 30 GLU N N 15 0.717385438046 0.0030 . . . 39 GLU H . 39 GLU N 17698 1 25 . 1 1 31 31 ASN H H 1 . 1 1 31 31 ASN N N 15 0.738373603571 0.0010 . . . 40 ASN H . 40 ASN N 17698 1 26 . 1 1 32 32 PHE H H 1 . 1 1 32 32 PHE N N 15 0.712458911829 0.0020 . . . 41 PHE H . 41 PHE N 17698 1 27 . 1 1 33 33 LEU H H 1 . 1 1 33 33 LEU N N 15 0.696304170158 0.0020 . . . 42 LEU H . 42 LEU N 17698 1 28 . 1 1 34 34 SER H H 1 . 1 1 34 34 SER N N 15 0.756687752503 0.0020 . . . 43 SER H . 43 SER N 17698 1 29 . 1 1 35 35 ASP H H 1 . 1 1 35 35 ASP N N 15 0.79105002945 0.0020 . . . 44 ASP H . 44 ASP N 17698 1 30 . 1 1 36 36 GLU H H 1 . 1 1 36 36 GLU N N 15 0.757014655032 0.0010 . . . 45 GLU H . 45 GLU N 17698 1 31 . 1 1 37 37 ASP H H 1 . 1 1 37 37 ASP N N 15 0.736274902961 0.0010 . . . 46 ASP H . 46 ASP N 17698 1 32 . 1 1 38 38 PHE H H 1 . 1 1 38 38 PHE N N 15 0.781981677519 0.0010 . . . 47 PHE H . 47 PHE N 17698 1 33 . 1 1 39 39 LYS H H 1 . 1 1 39 39 LYS N N 15 0.701079984204 0.0010 . . . 48 LYS H . 48 LYS N 17698 1 34 . 1 1 40 40 ALA H H 1 . 1 1 40 40 ALA N N 15 0.762180340014 0.0010 . . . 49 ALA H . 49 ALA N 17698 1 35 . 1 1 41 41 VAL H H 1 . 1 1 41 41 VAL N N 15 0.757499356371 0.0010 . . . 50 VAL H . 50 VAL N 17698 1 36 . 1 1 42 42 PHE H H 1 . 1 1 42 42 PHE N N 15 0.698942537351 0.0020 . . . 51 PHE H . 51 PHE N 17698 1 37 . 1 1 43 43 GLY H H 1 . 1 1 43 43 GLY N N 15 0.738110398195 0.0010 . . . 52 GLY H . 52 GLY N 17698 1 38 . 1 1 44 44 MET H H 1 . 1 1 44 44 MET N N 15 0.689386137115 0.0010 . . . 53 MET H . 53 MET N 17698 1 39 . 1 1 45 45 THR H H 1 . 1 1 45 45 THR N N 15 0.747271652015 0.0010 . . . 54 THR H . 54 THR N 17698 1 40 . 1 1 46 46 ARG H H 1 . 1 1 46 46 ARG N N 15 0.718899026035 0.0010 . . . 55 ARG H . 55 ARG N 17698 1 41 . 1 1 47 47 SER H H 1 . 1 1 47 47 SER N N 15 0.763015198313 0.0050 . . . 56 SER H . 56 SER N 17698 1 42 . 1 1 48 48 ALA H H 1 . 1 1 48 48 ALA N N 15 0.701461817386 0.0010 . . . 57 ALA H . 57 ALA N 17698 1 43 . 1 1 49 49 PHE H H 1 . 1 1 49 49 PHE N N 15 0.704459877849 0.0010 . . . 58 PHE H . 58 PHE N 17698 1 44 . 1 1 50 50 ALA H H 1 . 1 1 50 50 ALA N N 15 0.727221833773 0.0010 . . . 59 ALA H . 59 ALA N 17698 1 45 . 1 1 51 51 ASN H H 1 . 1 1 51 51 ASN N N 15 0.708445619831 0.0010 . . . 60 ASN H . 60 ASN N 17698 1 46 . 1 1 52 52 LEU H H 1 . 1 1 52 52 LEU N N 15 0.78695071997 0.0010 . . . 61 LEU H . 61 LEU N 17698 1 47 . 1 1 54 54 LEU H H 1 . 1 1 54 54 LEU N N 15 0.727060003255 0.0070 . . . 63 LEU H . 63 LEU N 17698 1 48 . 1 1 55 55 TRP H H 1 . 1 1 55 55 TRP N N 15 0.704780081553 0.0010 . . . 64 TRP H . 64 TRP N 17698 1 49 . 1 1 56 56 LYS H H 1 . 1 1 56 56 LYS N N 15 0.728655521675 0.0010 . . . 65 LYS H . 65 LYS N 17698 1 50 . 1 1 57 57 GLN H H 1 . 1 1 57 57 GLN N N 15 0.735503009194 0.0010 . . . 66 GLN H . 66 GLN N 17698 1 51 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.66515927749 0.0010 . . . 67 GLN H . 67 GLN N 17698 1 52 . 1 1 59 59 ASN H H 1 . 1 1 59 59 ASN N N 15 0.686009562278 0.0010 . . . 68 ASN H . 68 ASN N 17698 1 53 . 1 1 60 60 LEU H H 1 . 1 1 60 60 LEU N N 15 0.739041616883 0.0010 . . . 69 LEU H . 69 LEU N 17698 1 54 . 1 1 61 61 LYS H H 1 . 1 1 61 61 LYS N N 15 0.775910437243 0.0010 . . . 70 LYS H . 70 LYS N 17698 1 55 . 1 1 62 62 LYS H H 1 . 1 1 62 62 LYS N N 15 0.720057807678 0.0010 . . . 71 LYS H . 71 LYS N 17698 1 56 . 1 1 63 63 GLU H H 1 . 1 1 63 63 GLU N N 15 0.727151771195 0.0010 . . . 72 GLU H . 72 GLU N 17698 1 57 . 1 1 64 64 LYS H H 1 . 1 1 64 64 LYS N N 15 0.708011324847 0.0010 . . . 73 LYS H . 73 LYS N 17698 1 58 . 1 1 65 65 GLY H H 1 . 1 1 65 65 GLY N N 15 0.700385935919 0.0010 . . . 74 GLY H . 74 GLY N 17698 1 59 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.738943790638 0.0020 . . . 75 LEU H . 75 LEU N 17698 1 60 . 1 1 67 67 PHE H H 1 . 1 1 67 67 PHE N N 15 0.67691650024 0.0010 . . . 76 PHE H . 76 PHE N 17698 1 61 . 1 1 55 55 TRP H H 1 . 1 1 55 55 TRP N N 15 0.651701490472 0.0010 . . . 64 TRP H . 64 TRP N 17698 1 62 . 1 1 14 14 ASN H H 1 . 1 1 14 14 ASN N N 15 0.106540212503 0.015 . . . 23 ASN H . 23 ASN N 17698 1 63 . 1 1 14 14 ASN H H 1 . 1 1 14 14 ASN N N 15 0.325395750871 0.013 . . . 23 ASN H . 23 ASN N 17698 1 64 . 1 1 31 31 ASN H H 1 . 1 1 31 31 ASN N N 15 0.366948626292 0.012 . . . 40 ASN H . 40 ASN N 17698 1 65 . 1 1 31 31 ASN H H 1 . 1 1 31 31 ASN N N 15 0.14783183981 0.011 . . . 40 ASN H . 40 ASN N 17698 1 66 . 1 1 51 51 ASN H H 1 . 1 1 51 51 ASN N N 15 -0.195128606868 0.011 . . . 60 ASN H . 60 ASN N 17698 1 67 . 1 1 51 51 ASN H H 1 . 1 1 51 51 ASN N N 15 0.328280197747 0.0090 . . . 60 ASN H . 60 ASN N 17698 1 68 . 1 1 57 57 GLN H H 1 . 1 1 57 57 GLN N N 15 0.468572630188 0.013 . . . 66 GLN H . 66 GLN N 17698 1 69 . 1 1 57 57 GLN H H 1 . 1 1 57 57 GLN N N 15 0.730635769689 0.017 . . . 66 GLN H . 66 GLN N 17698 1 70 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.257110612375 0.012 . . . 67 GLN H . 67 GLN N 17698 1 71 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.0484594935078 0.0090 . . . 67 GLN H . 67 GLN N 17698 1 72 . 1 1 59 59 ASN H H 1 . 1 1 59 59 ASN N N 15 0.0489486715255 0.011 . . . 68 ASN H . 68 ASN N 17698 1 73 . 1 1 59 59 ASN H H 1 . 1 1 59 59 ASN N N 15 -0.208960037996 0.011 . . . 68 ASN H . 68 ASN N 17698 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 17698 _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 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type na _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details invinoef3gpsi _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 1 '3D 1H-15N NOESY' . . . 17698 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 4 4 LEU H H 1 . 1 1 4 4 LEU N N 15 -0.516208578255 0.0010 . . . 13 LEU H . 13 LEU N 17698 2 2 . 1 1 5 5 GLU H H 1 . 1 1 5 5 GLU N N 15 0.0463998981054 0.0010 . . . 14 GLU H . 14 GLU N 17698 2 3 . 1 1 6 6 THR H H 1 . 1 1 6 6 THR N N 15 0.570210896851 0.0020 . . . 15 THR H . 15 THR N 17698 2 4 . 1 1 7 7 PHE H H 1 . 1 1 7 7 PHE N N 15 0.69669091436 0.0030 . . . 16 PHE H . 16 PHE N 17698 2 5 . 1 1 9 9 LEU H H 1 . 1 1 9 9 LEU N N 15 0.688704980629 0.0010 . . . 18 LEU H . 18 LEU N 17698 2 6 . 1 1 10 10 ASP H H 1 . 1 1 10 10 ASP N N 15 0.689008194186 0.0010 . . . 19 ASP H . 19 ASP N 17698 2 7 . 1 1 11 11 VAL H H 1 . 1 1 11 11 VAL N N 15 0.752120758075 0.0020 . . . 20 VAL H . 20 VAL N 17698 2 8 . 1 1 12 12 LEU H H 1 . 1 1 12 12 LEU N N 15 0.724158689013 0.0030 . . . 21 LEU H . 21 LEU N 17698 2 9 . 1 1 13 13 VAL H H 1 . 1 1 13 13 VAL N N 15 0.711559035093 0.0020 . . . 22 VAL H . 22 VAL N 17698 2 10 . 1 1 14 14 ASN H H 1 . 1 1 14 14 ASN N N 15 -1.2357266414 0.013 . . . 23 ASN H . 23 ASN N 17698 2 11 . 1 1 15 15 THR H H 1 . 1 1 15 15 THR N N 15 0.587452157341 0.0020 . . . 24 THR H . 24 THR N 17698 2 12 . 1 1 16 16 ALA H H 1 . 1 1 16 16 ALA N N 15 0.72600855637 0.0020 . . . 25 ALA H . 25 ALA N 17698 2 13 . 1 1 17 17 ALA H H 1 . 1 1 17 17 ALA N N 15 0.64423314896 0.0010 . . . 26 ALA H . 26 ALA N 17698 2 14 . 1 1 18 18 GLU H H 1 . 1 1 18 18 GLU N N 15 0.689534952022 0.0020 . . . 27 GLU H . 27 GLU N 17698 2 15 . 1 1 19 19 ASP H H 1 . 1 1 19 19 ASP N N 15 0.738497121275 0.0020 . . . 28 ASP H . 28 ASP N 17698 2 16 . 1 1 20 20 LEU H H 1 . 1 1 20 20 LEU N N 15 0.695244437786 0.0020 . . . 29 LEU H . 29 LEU N 17698 2 17 . 1 1 22 22 ARG H H 1 . 1 1 22 22 ARG N N 15 0.750911998985 0.0010 . . . 31 ARG H . 31 ARG N 17698 2 18 . 1 1 23 23 GLY H H 1 . 1 1 23 23 GLY N N 15 0.693757297208 0.0030 . . . 32 GLY H . 32 GLY N 17698 2 19 . 1 1 24 24 VAL H H 1 . 1 1 24 24 VAL N N 15 0.730915280347 0.0020 . . . 33 VAL H . 33 VAL N 17698 2 20 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.820467915898 0.0080 . . . 34 ASP H . 34 ASP N 17698 2 21 . 1 1 27 27 SER H H 1 . 1 1 27 27 SER N N 15 0.742254402437 0.0020 . . . 36 SER H . 36 SER N 17698 2 22 . 1 1 28 28 ARG H H 1 . 1 1 28 28 ARG N N 15 0.679261543117 0.0020 . . . 37 ARG H . 37 ARG N 17698 2 23 . 1 1 29 29 LYS H H 1 . 1 1 29 29 LYS N N 15 0.781968378033 0.0020 . . . 38 LYS H . 38 LYS N 17698 2 24 . 1 1 30 30 GLU H H 1 . 1 1 30 30 GLU N N 15 0.731365016666 0.0030 . . . 39 GLU H . 39 GLU N 17698 2 25 . 1 1 31 31 ASN H H 1 . 1 1 31 31 ASN N N 15 0.76290535953 0.0010 . . . 40 ASN H . 40 ASN N 17698 2 26 . 1 1 32 32 PHE H H 1 . 1 1 32 32 PHE N N 15 0.73020300577 0.0020 . . . 41 PHE H . 41 PHE N 17698 2 27 . 1 1 33 33 LEU H H 1 . 1 1 33 33 LEU N N 15 0.752480838006 0.0030 . . . 42 LEU H . 42 LEU N 17698 2 28 . 1 1 34 34 SER H H 1 . 1 1 34 34 SER N N 15 0.756970845464 0.0020 . . . 43 SER H . 43 SER N 17698 2 29 . 1 1 35 35 ASP H H 1 . 1 1 35 35 ASP N N 15 0.791038317793 0.0020 . . . 44 ASP H . 44 ASP N 17698 2 30 . 1 1 36 36 GLU H H 1 . 1 1 36 36 GLU N N 15 0.787563291498 0.0010 . . . 45 GLU H . 45 GLU N 17698 2 31 . 1 1 37 37 ASP H H 1 . 1 1 37 37 ASP N N 15 0.722599140842 0.0010 . . . 46 ASP H . 46 ASP N 17698 2 32 . 1 1 38 38 PHE H H 1 . 1 1 38 38 PHE N N 15 0.765710199035 0.0010 . . . 47 PHE H . 47 PHE N 17698 2 33 . 1 1 39 39 LYS H H 1 . 1 1 39 39 LYS N N 15 0.734235771147 0.0010 . . . 48 LYS H . 48 LYS N 17698 2 34 . 1 1 40 40 ALA H H 1 . 1 1 40 40 ALA N N 15 0.804923569925 0.0010 . . . 49 ALA H . 49 ALA N 17698 2 35 . 1 1 41 41 VAL H H 1 . 1 1 41 41 VAL N N 15 0.723621001902 0.0010 . . . 50 VAL H . 50 VAL N 17698 2 36 . 1 1 42 42 PHE H H 1 . 1 1 42 42 PHE N N 15 0.719338639352 0.0020 . . . 51 PHE H . 51 PHE N 17698 2 37 . 1 1 43 43 GLY H H 1 . 1 1 43 43 GLY N N 15 0.730858092152 0.0010 . . . 52 GLY H . 52 GLY N 17698 2 38 . 1 1 44 44 MET H H 1 . 1 1 44 44 MET N N 15 0.719740487975 0.0010 . . . 53 MET H . 53 MET N 17698 2 39 . 1 1 45 45 THR H H 1 . 1 1 45 45 THR N N 15 0.751530875531 0.0010 . . . 54 THR H . 54 THR N 17698 2 40 . 1 1 46 46 ARG H H 1 . 1 1 46 46 ARG N N 15 0.744277989396 0.0010 . . . 55 ARG H . 55 ARG N 17698 2 41 . 1 1 47 47 SER H H 1 . 1 1 47 47 SER N N 15 0.699671805054 0.0050 . . . 56 SER H . 56 SER N 17698 2 42 . 1 1 48 48 ALA H H 1 . 1 1 48 48 ALA N N 15 0.721455977459 0.0010 . . . 57 ALA H . 57 ALA N 17698 2 43 . 1 1 49 49 PHE H H 1 . 1 1 49 49 PHE N N 15 0.721216085531 0.0010 . . . 58 PHE H . 58 PHE N 17698 2 44 . 1 1 50 50 ALA H H 1 . 1 1 50 50 ALA N N 15 0.715285079805 0.0010 . . . 59 ALA H . 59 ALA N 17698 2 45 . 1 1 51 51 ASN H H 1 . 1 1 51 51 ASN N N 15 0.707257815963 0.0010 . . . 60 ASN H . 60 ASN N 17698 2 46 . 1 1 52 52 LEU H H 1 . 1 1 52 52 LEU N N 15 0.750049822219 0.0010 . . . 61 LEU H . 61 LEU N 17698 2 47 . 1 1 54 54 LEU H H 1 . 1 1 54 54 LEU N N 15 0.842818768025 0.0070 . . . 63 LEU H . 63 LEU N 17698 2 48 . 1 1 55 55 TRP H H 1 . 1 1 55 55 TRP N N 15 0.70417614412 0.0010 . . . 64 TRP H . 64 TRP N 17698 2 49 . 1 1 56 56 LYS H H 1 . 1 1 56 56 LYS N N 15 0.731676445027 0.0010 . . . 65 LYS H . 65 LYS N 17698 2 50 . 1 1 57 57 GLN H H 1 . 1 1 57 57 GLN N N 15 0.722893666473 0.0010 . . . 66 GLN H . 66 GLN N 17698 2 51 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.68955811779 0.0010 . . . 67 GLN H . 67 GLN N 17698 2 52 . 1 1 59 59 ASN H H 1 . 1 1 59 59 ASN N N 15 0.726009359624 0.0010 . . . 68 ASN H . 68 ASN N 17698 2 53 . 1 1 60 60 LEU H H 1 . 1 1 60 60 LEU N N 15 0.753072371579 0.0010 . . . 69 LEU H . 69 LEU N 17698 2 54 . 1 1 61 61 LYS H H 1 . 1 1 61 61 LYS N N 15 0.739443093264 0.0010 . . . 70 LYS H . 70 LYS N 17698 2 55 . 1 1 62 62 LYS H H 1 . 1 1 62 62 LYS N N 15 0.698001084508 0.0010 . . . 71 LYS H . 71 LYS N 17698 2 56 . 1 1 63 63 GLU H H 1 . 1 1 63 63 GLU N N 15 0.749759530481 0.0010 . . . 72 GLU H . 72 GLU N 17698 2 57 . 1 1 64 64 LYS H H 1 . 1 1 64 64 LYS N N 15 0.717690809592 0.0020 . . . 73 LYS H . 73 LYS N 17698 2 58 . 1 1 65 65 GLY H H 1 . 1 1 65 65 GLY N N 15 0.700225636087 0.0010 . . . 74 GLY H . 74 GLY N 17698 2 59 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.689931320768 0.0020 . . . 75 LEU H . 75 LEU N 17698 2 60 . 1 1 67 67 PHE H H 1 . 1 1 67 67 PHE N N 15 0.680854930306 0.0010 . . . 76 PHE H . 76 PHE N 17698 2 61 . 1 1 55 55 TRP H H 1 . 1 1 55 55 TRP N N 15 0.65882122076 0.0010 . . . 64 TRP H . 64 TRP N 17698 2 62 . 1 1 14 14 ASN H H 1 . 1 1 14 14 ASN N N 15 0.45759915918 0.016 . . . 23 ASN H . 23 ASN N 17698 2 63 . 1 1 14 14 ASN H H 1 . 1 1 14 14 ASN N N 15 0.451525440749 0.013 . . . 23 ASN H . 23 ASN N 17698 2 64 . 1 1 31 31 ASN H H 1 . 1 1 31 31 ASN N N 15 0.726685421086 0.014 . . . 40 ASN H . 40 ASN N 17698 2 65 . 1 1 31 31 ASN H H 1 . 1 1 31 31 ASN N N 15 0.383495704288 0.011 . . . 40 ASN H . 40 ASN N 17698 2 66 . 1 1 51 51 ASN H H 1 . 1 1 51 51 ASN N N 15 0.0440153216069 0.013 . . . 60 ASN H . 60 ASN N 17698 2 67 . 1 1 51 51 ASN H H 1 . 1 1 51 51 ASN N N 15 0.543262979156 0.0090 . . . 60 ASN H . 60 ASN N 17698 2 68 . 1 1 57 57 GLN H H 1 . 1 1 57 57 GLN N N 15 0.481497148917 0.013 . . . 66 GLN H . 66 GLN N 17698 2 69 . 1 1 57 57 GLN H H 1 . 1 1 57 57 GLN N N 15 0.504665349778 0.018 . . . 66 GLN H . 66 GLN N 17698 2 70 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.244744811007 0.01 . . . 67 GLN H . 67 GLN N 17698 2 71 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.0141264317799 0.0080 . . . 67 GLN H . 67 GLN N 17698 2 72 . 1 1 59 59 ASN H H 1 . 1 1 59 59 ASN N N 15 0.0770541799845 0.015 . . . 68 ASN H . 68 ASN N 17698 2 73 . 1 1 59 59 ASN H H 1 . 1 1 59 59 ASN N N 15 -0.456958279976 0.01 . . . 68 ASN H . 68 ASN N 17698 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 17698 _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 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type na _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details invinoef3gpsi _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 1 '3D 1H-15N NOESY' . . . 17698 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 4 4 LEU H H 1 . 1 1 4 4 LEU N N 15 -0.523449310492 0.0010 . . . 13 LEU H . 13 LEU N 17698 3 2 . 1 1 5 5 GLU H H 1 . 1 1 5 5 GLU N N 15 0.0225200959025 0.0010 . . . 14 GLU H . 14 GLU N 17698 3 3 . 1 1 6 6 THR H H 1 . 1 1 6 6 THR N N 15 0.542452233438 0.0020 . . . 15 THR H . 15 THR N 17698 3 4 . 1 1 7 7 PHE H H 1 . 1 1 7 7 PHE N N 15 0.725900701545 0.0020 . . . 16 PHE H . 16 PHE N 17698 3 5 . 1 1 9 9 LEU H H 1 . 1 1 9 9 LEU N N 15 0.655445805259 0.0010 . . . 18 LEU H . 18 LEU N 17698 3 6 . 1 1 10 10 ASP H H 1 . 1 1 10 10 ASP N N 15 0.685739694832 0.0010 . . . 19 ASP H . 19 ASP N 17698 3 7 . 1 1 11 11 VAL H H 1 . 1 1 11 11 VAL N N 15 0.705008313539 0.0020 . . . 20 VAL H . 20 VAL N 17698 3 8 . 1 1 12 12 LEU H H 1 . 1 1 12 12 LEU N N 15 0.728107013577 0.0030 . . . 21 LEU H . 21 LEU N 17698 3 9 . 1 1 13 13 VAL H H 1 . 1 1 13 13 VAL N N 15 0.699224953643 0.0020 . . . 22 VAL H . 22 VAL N 17698 3 10 . 1 1 14 14 ASN H H 1 . 1 1 14 14 ASN N N 15 -1.17567754576 0.013 . . . 23 ASN H . 23 ASN N 17698 3 11 . 1 1 15 15 THR H H 1 . 1 1 15 15 THR N N 15 0.565964943772 0.0020 . . . 24 THR H . 24 THR N 17698 3 12 . 1 1 16 16 ALA H H 1 . 1 1 16 16 ALA N N 15 0.678920569927 0.0020 . . . 25 ALA H . 25 ALA N 17698 3 13 . 1 1 17 17 ALA H H 1 . 1 1 17 17 ALA N N 15 0.622517859295 0.0010 . . . 26 ALA H . 26 ALA N 17698 3 14 . 1 1 18 18 GLU H H 1 . 1 1 18 18 GLU N N 15 0.700499097439 0.0020 . . . 27 GLU H . 27 GLU N 17698 3 15 . 1 1 19 19 ASP H H 1 . 1 1 19 19 ASP N N 15 0.692361341776 0.0020 . . . 28 ASP H . 28 ASP N 17698 3 16 . 1 1 20 20 LEU H H 1 . 1 1 20 20 LEU N N 15 0.669513354153 0.0020 . . . 29 LEU H . 29 LEU N 17698 3 17 . 1 1 22 22 ARG H H 1 . 1 1 22 22 ARG N N 15 0.75458787 0.0010 . . . 31 ARG H . 31 ARG N 17698 3 18 . 1 1 23 23 GLY H H 1 . 1 1 23 23 GLY N N 15 0.674310698817 0.0030 . . . 32 GLY H . 32 GLY N 17698 3 19 . 1 1 24 24 VAL H H 1 . 1 1 24 24 VAL N N 15 0.75213661304 0.0020 . . . 33 VAL H . 33 VAL N 17698 3 20 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.759026448394 0.0070 . . . 34 ASP H . 34 ASP N 17698 3 21 . 1 1 27 27 SER H H 1 . 1 1 27 27 SER N N 15 0.729595830268 0.0020 . . . 36 SER H . 36 SER N 17698 3 22 . 1 1 28 28 ARG H H 1 . 1 1 28 28 ARG N N 15 0.705694612047 0.0020 . . . 37 ARG H . 37 ARG N 17698 3 23 . 1 1 29 29 LYS H H 1 . 1 1 29 29 LYS N N 15 0.777538933194 0.0020 . . . 38 LYS H . 38 LYS N 17698 3 24 . 1 1 30 30 GLU H H 1 . 1 1 30 30 GLU N N 15 0.717385438046 0.0030 . . . 39 GLU H . 39 GLU N 17698 3 25 . 1 1 31 31 ASN H H 1 . 1 1 31 31 ASN N N 15 0.738373603571 0.0010 . . . 40 ASN H . 40 ASN N 17698 3 26 . 1 1 32 32 PHE H H 1 . 1 1 32 32 PHE N N 15 0.712458911829 0.0020 . . . 41 PHE H . 41 PHE N 17698 3 27 . 1 1 33 33 LEU H H 1 . 1 1 33 33 LEU N N 15 0.696304170158 0.0020 . . . 42 LEU H . 42 LEU N 17698 3 28 . 1 1 34 34 SER H H 1 . 1 1 34 34 SER N N 15 0.756687752503 0.0020 . . . 43 SER H . 43 SER N 17698 3 29 . 1 1 35 35 ASP H H 1 . 1 1 35 35 ASP N N 15 0.79105002945 0.0020 . . . 44 ASP H . 44 ASP N 17698 3 30 . 1 1 36 36 GLU H H 1 . 1 1 36 36 GLU N N 15 0.757014655032 0.0010 . . . 45 GLU H . 45 GLU N 17698 3 31 . 1 1 37 37 ASP H H 1 . 1 1 37 37 ASP N N 15 0.736274902961 0.0010 . . . 46 ASP H . 46 ASP N 17698 3 32 . 1 1 38 38 PHE H H 1 . 1 1 38 38 PHE N N 15 0.781981677519 0.0010 . . . 47 PHE H . 47 PHE N 17698 3 33 . 1 1 39 39 LYS H H 1 . 1 1 39 39 LYS N N 15 0.701079984204 0.0010 . . . 48 LYS H . 48 LYS N 17698 3 34 . 1 1 40 40 ALA H H 1 . 1 1 40 40 ALA N N 15 0.762180340014 0.0010 . . . 49 ALA H . 49 ALA N 17698 3 35 . 1 1 41 41 VAL H H 1 . 1 1 41 41 VAL N N 15 0.757499356371 0.0010 . . . 50 VAL H . 50 VAL N 17698 3 36 . 1 1 42 42 PHE H H 1 . 1 1 42 42 PHE N N 15 0.698942537351 0.0020 . . . 51 PHE H . 51 PHE N 17698 3 37 . 1 1 43 43 GLY H H 1 . 1 1 43 43 GLY N N 15 0.738110398195 0.0010 . . . 52 GLY H . 52 GLY N 17698 3 38 . 1 1 44 44 MET H H 1 . 1 1 44 44 MET N N 15 0.689386137115 0.0010 . . . 53 MET H . 53 MET N 17698 3 39 . 1 1 45 45 THR H H 1 . 1 1 45 45 THR N N 15 0.747271652015 0.0010 . . . 54 THR H . 54 THR N 17698 3 40 . 1 1 46 46 ARG H H 1 . 1 1 46 46 ARG N N 15 0.718899026035 0.0010 . . . 55 ARG H . 55 ARG N 17698 3 41 . 1 1 47 47 SER H H 1 . 1 1 47 47 SER N N 15 0.763015198313 0.0050 . . . 56 SER H . 56 SER N 17698 3 42 . 1 1 48 48 ALA H H 1 . 1 1 48 48 ALA N N 15 0.701461817386 0.0010 . . . 57 ALA H . 57 ALA N 17698 3 43 . 1 1 49 49 PHE H H 1 . 1 1 49 49 PHE N N 15 0.704459877849 0.0010 . . . 58 PHE H . 58 PHE N 17698 3 44 . 1 1 50 50 ALA H H 1 . 1 1 50 50 ALA N N 15 0.727221833773 0.0010 . . . 59 ALA H . 59 ALA N 17698 3 45 . 1 1 51 51 ASN H H 1 . 1 1 51 51 ASN N N 15 0.708445619831 0.0010 . . . 60 ASN H . 60 ASN N 17698 3 46 . 1 1 52 52 LEU H H 1 . 1 1 52 52 LEU N N 15 0.78695071997 0.0010 . . . 61 LEU H . 61 LEU N 17698 3 47 . 1 1 54 54 LEU H H 1 . 1 1 54 54 LEU N N 15 0.727060003255 0.0070 . . . 63 LEU H . 63 LEU N 17698 3 48 . 1 1 55 55 TRP H H 1 . 1 1 55 55 TRP N N 15 0.704780081553 0.0010 . . . 64 TRP H . 64 TRP N 17698 3 49 . 1 1 56 56 LYS H H 1 . 1 1 56 56 LYS N N 15 0.728655521675 0.0010 . . . 65 LYS H . 65 LYS N 17698 3 50 . 1 1 57 57 GLN H H 1 . 1 1 57 57 GLN N N 15 0.735503009194 0.0010 . . . 66 GLN H . 66 GLN N 17698 3 51 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.66515927749 0.0010 . . . 67 GLN H . 67 GLN N 17698 3 52 . 1 1 59 59 ASN H H 1 . 1 1 59 59 ASN N N 15 0.686009562278 0.0010 . . . 68 ASN H . 68 ASN N 17698 3 53 . 1 1 60 60 LEU H H 1 . 1 1 60 60 LEU N N 15 0.739041616883 0.0010 . . . 69 LEU H . 69 LEU N 17698 3 54 . 1 1 61 61 LYS H H 1 . 1 1 61 61 LYS N N 15 0.775910437243 0.0010 . . . 70 LYS H . 70 LYS N 17698 3 55 . 1 1 62 62 LYS H H 1 . 1 1 62 62 LYS N N 15 0.720057807678 0.0010 . . . 71 LYS H . 71 LYS N 17698 3 56 . 1 1 63 63 GLU H H 1 . 1 1 63 63 GLU N N 15 0.727151771195 0.0010 . . . 72 GLU H . 72 GLU N 17698 3 57 . 1 1 64 64 LYS H H 1 . 1 1 64 64 LYS N N 15 0.708011324847 0.0010 . . . 73 LYS H . 73 LYS N 17698 3 58 . 1 1 65 65 GLY H H 1 . 1 1 65 65 GLY N N 15 0.700385935919 0.0010 . . . 74 GLY H . 74 GLY N 17698 3 59 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.738943790638 0.0020 . . . 75 LEU H . 75 LEU N 17698 3 60 . 1 1 67 67 PHE H H 1 . 1 1 67 67 PHE N N 15 0.67691650024 0.0010 . . . 76 PHE H . 76 PHE N 17698 3 61 . 1 1 55 55 TRP H H 1 . 1 1 55 55 TRP N N 15 0.651701490472 0.0010 . . . 64 TRP H . 64 TRP N 17698 3 62 . 1 1 14 14 ASN H H 1 . 1 1 14 14 ASN N N 15 0.106540212503 0.015 . . . 23 ASN H . 23 ASN N 17698 3 63 . 1 1 14 14 ASN H H 1 . 1 1 14 14 ASN N N 15 0.325395750871 0.013 . . . 23 ASN H . 23 ASN N 17698 3 64 . 1 1 31 31 ASN H H 1 . 1 1 31 31 ASN N N 15 0.366948626292 0.012 . . . 40 ASN H . 40 ASN N 17698 3 65 . 1 1 31 31 ASN H H 1 . 1 1 31 31 ASN N N 15 0.14783183981 0.011 . . . 40 ASN H . 40 ASN N 17698 3 66 . 1 1 51 51 ASN H H 1 . 1 1 51 51 ASN N N 15 -0.195128606868 0.011 . . . 60 ASN H . 60 ASN N 17698 3 67 . 1 1 51 51 ASN H H 1 . 1 1 51 51 ASN N N 15 0.328280197747 0.0090 . . . 60 ASN H . 60 ASN N 17698 3 68 . 1 1 57 57 GLN H H 1 . 1 1 57 57 GLN N N 15 0.468572630188 0.013 . . . 66 GLN H . 66 GLN N 17698 3 69 . 1 1 57 57 GLN H H 1 . 1 1 57 57 GLN N N 15 0.730635769689 0.017 . . . 66 GLN H . 66 GLN N 17698 3 70 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.257110612375 0.012 . . . 67 GLN H . 67 GLN N 17698 3 71 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.0484594935078 0.0090 . . . 67 GLN H . 67 GLN N 17698 3 72 . 1 1 59 59 ASN H H 1 . 1 1 59 59 ASN N N 15 0.0489486715255 0.011 . . . 68 ASN H . 68 ASN N 17698 3 73 . 1 1 59 59 ASN H H 1 . 1 1 59 59 ASN N N 15 -0.208960037996 0.011 . . . 68 ASN H . 68 ASN N 17698 3 stop_ save_