############################## # 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 51065 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'hetNOE in S100A9' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 900.1 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details ; Additional values: 108* G 0.37 0.04 109* L 0.3 0.03 112* G 0.17 0.02 113* T 0.16 0.02 ; _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 20 '1H-15N hetNOE' . . . 51065 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 . . 51065 1 2 $software_2 . . 51065 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 . 2 2 7 7 GLN N N 15 . 2 2 7 7 GLN H H 1 0.71 0.07 . . . . . . . . . . 51065 1 2 . 2 2 8 8 LEU N N 15 . 2 2 8 8 LEU H H 1 0.85 0.08 . . . . . . . . . . 51065 1 3 . 2 2 9 9 GLU N N 15 . 2 2 9 9 GLU H H 1 0.85 0.09 . . . . . . . . . . 51065 1 4 . 2 2 10 10 ARG N N 15 . 2 2 10 10 ARG H H 1 0.93 0.09 . . . . . . . . . . 51065 1 5 . 2 2 11 11 ASN N N 15 . 2 2 11 11 ASN H H 1 0.78 0.08 . . . . . . . . . . 51065 1 6 . 2 2 13 13 GLU N N 15 . 2 2 13 13 GLU H H 1 0.77 0.08 . . . . . . . . . . 51065 1 7 . 2 2 14 14 THR N N 15 . 2 2 14 14 THR H H 1 0.79 0.08 . . . . . . . . . . 51065 1 8 . 2 2 15 15 ILE N N 15 . 2 2 15 15 ILE H H 1 0.83 0.08 . . . . . . . . . . 51065 1 9 . 2 2 16 16 ILE N N 15 . 2 2 16 16 ILE H H 1 1.03 0.1 . . . . . . . . . . 51065 1 10 . 2 2 17 17 ASN N N 15 . 2 2 17 17 ASN H H 1 0.84 0.08 . . . . . . . . . . 51065 1 11 . 2 2 18 18 THR N N 15 . 2 2 18 18 THR H H 1 0.7 0.07 . . . . . . . . . . 51065 1 12 . 2 2 19 19 PHE N N 15 . 2 2 19 19 PHE H H 1 0.98 0.1 . . . . . . . . . . 51065 1 13 . 2 2 20 20 HIS N N 15 . 2 2 20 20 HIS H H 1 0.86 0.09 . . . . . . . . . . 51065 1 14 . 2 2 21 21 GLN N N 15 . 2 2 21 21 GLN H H 1 0.83 0.08 . . . . . . . . . . 51065 1 15 . 2 2 22 22 TYR N N 15 . 2 2 22 22 TYR H H 1 0.88 0.09 . . . . . . . . . . 51065 1 16 . 2 2 23 23 SER N N 15 . 2 2 23 23 SER H H 1 0.78 0.08 . . . . . . . . . . 51065 1 17 . 2 2 24 24 VAL N N 15 . 2 2 24 24 VAL H H 1 0.83 0.08 . . . . . . . . . . 51065 1 18 . 2 2 25 25 LYS N N 15 . 2 2 25 25 LYS H H 1 0.78 0.08 . . . . . . . . . . 51065 1 19 . 2 2 26 26 LEU N N 15 . 2 2 26 26 LEU H H 1 0.91 0.09 . . . . . . . . . . 51065 1 20 . 2 2 27 27 GLY N N 15 . 2 2 27 27 GLY H H 1 0.89 0.09 . . . . . . . . . . 51065 1 21 . 2 2 28 28 HIS N N 15 . 2 2 28 28 HIS H H 1 0.9 0.09 . . . . . . . . . . 51065 1 22 . 2 2 30 30 ASP N N 15 . 2 2 30 30 ASP H H 1 1 0.1 . . . . . . . . . . 51065 1 23 . 2 2 31 31 THR N N 15 . 2 2 31 31 THR H H 1 0.73 0.07 . . . . . . . . . . 51065 1 24 . 2 2 32 32 LEU N N 15 . 2 2 32 32 LEU H H 1 0.82 0.08 . . . . . . . . . . 51065 1 25 . 2 2 33 33 ASN N N 15 . 2 2 33 33 ASN H H 1 0.82 0.08 . . . . . . . . . . 51065 1 26 . 2 2 34 34 GLN N N 15 . 2 2 34 34 GLN H H 1 0.93 0.09 . . . . . . . . . . 51065 1 27 . 2 2 35 35 GLY N N 15 . 2 2 35 35 GLY H H 1 0.73 0.07 . . . . . . . . . . 51065 1 28 . 2 2 36 36 GLU N N 15 . 2 2 36 36 GLU H H 1 0.78 0.08 . . . . . . . . . . 51065 1 29 . 2 2 37 37 PHE N N 15 . 2 2 37 37 PHE H H 1 0.82 0.08 . . . . . . . . . . 51065 1 30 . 2 2 38 38 LYS N N 15 . 2 2 38 38 LYS H H 1 0.81 0.08 . . . . . . . . . . 51065 1 31 . 2 2 39 39 GLU N N 15 . 2 2 39 39 GLU H H 1 0.92 0.09 . . . . . . . . . . 51065 1 32 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.85 0.08 . . . . . . . . . . 51065 1 33 . 2 2 42 42 ARG N N 15 . 2 2 42 42 ARG H H 1 0.74 0.07 . . . . . . . . . . 51065 1 34 . 2 2 43 43 LYS N N 15 . 2 2 43 43 LYS H H 1 0.79 0.08 . . . . . . . . . . 51065 1 35 . 2 2 44 44 ASP N N 15 . 2 2 44 44 ASP H H 1 1.04 0.1 . . . . . . . . . . 51065 1 36 . 2 2 45 45 LEU N N 15 . 2 2 45 45 LEU H H 1 0.81 0.08 . . . . . . . . . . 51065 1 37 . 2 2 46 46 GLN N N 15 . 2 2 46 46 GLN H H 1 0.81 0.08 . . . . . . . . . . 51065 1 38 . 2 2 47 47 ASN N N 15 . 2 2 47 47 ASN H H 1 0.87 0.09 . . . . . . . . . . 51065 1 39 . 2 2 48 48 PHE N N 15 . 2 2 48 48 PHE H H 1 0.85 0.09 . . . . . . . . . . 51065 1 40 . 2 2 49 49 LEU N N 15 . 2 2 49 49 LEU H H 1 0.87 0.09 . . . . . . . . . . 51065 1 41 . 2 2 50 50 LYS N N 15 . 2 2 50 50 LYS H H 1 0.79 0.08 . . . . . . . . . . 51065 1 42 . 2 2 52 52 GLU N N 15 . 2 2 52 52 GLU H H 1 0.7 0.07 . . . . . . . . . . 51065 1 43 . 2 2 53 53 ASN N N 15 . 2 2 53 53 ASN H H 1 0.79 0.08 . . . . . . . . . . 51065 1 44 . 2 2 56 56 GLU N N 15 . 2 2 56 56 GLU H H 1 0.79 0.08 . . . . . . . . . . 51065 1 45 . 2 2 57 57 LYS N N 15 . 2 2 57 57 LYS H H 1 0.74 0.07 . . . . . . . . . . 51065 1 46 . 2 2 58 58 VAL N N 15 . 2 2 58 58 VAL H H 1 0.85 0.09 . . . . . . . . . . 51065 1 47 . 2 2 60 60 GLU N N 15 . 2 2 60 60 GLU H H 1 0.68 0.07 . . . . . . . . . . 51065 1 48 . 2 2 61 61 HIS N N 15 . 2 2 61 61 HIS H H 1 1.03 0.1 . . . . . . . . . . 51065 1 49 . 2 2 62 62 ILE N N 15 . 2 2 62 62 ILE H H 1 0.85 0.09 . . . . . . . . . . 51065 1 50 . 2 2 63 63 MET N N 15 . 2 2 63 63 MET H H 1 0.98 0.1 . . . . . . . . . . 51065 1 51 . 2 2 64 64 GLU N N 15 . 2 2 64 64 GLU H H 1 0.76 0.08 . . . . . . . . . . 51065 1 52 . 2 2 65 65 ASP N N 15 . 2 2 65 65 ASP H H 1 0.76 0.08 . . . . . . . . . . 51065 1 53 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.83 0.08 . . . . . . . . . . 51065 1 54 . 2 2 67 67 ASP N N 15 . 2 2 67 67 ASP H H 1 0.81 0.08 . . . . . . . . . . 51065 1 55 . 2 2 68 68 THR N N 15 . 2 2 68 68 THR H H 1 0.66 0.07 . . . . . . . . . . 51065 1 56 . 2 2 69 69 ASN N N 15 . 2 2 69 69 ASN H H 1 0.71 0.07 . . . . . . . . . . 51065 1 57 . 2 2 70 70 ALA N N 15 . 2 2 70 70 ALA H H 1 0.68 0.07 . . . . . . . . . . 51065 1 58 . 2 2 71 71 ASP N N 15 . 2 2 71 71 ASP H H 1 0.7 0.07 . . . . . . . . . . 51065 1 59 . 2 2 72 72 LYS N N 15 . 2 2 72 72 LYS H H 1 0.78 0.08 . . . . . . . . . . 51065 1 60 . 2 2 73 73 GLN N N 15 . 2 2 73 73 GLN H H 1 0.73 0.07 . . . . . . . . . . 51065 1 61 . 2 2 74 74 LEU N N 15 . 2 2 74 74 LEU H H 1 0.71 0.07 . . . . . . . . . . 51065 1 62 . 2 2 75 75 SER N N 15 . 2 2 75 75 SER H H 1 0.77 0.08 . . . . . . . . . . 51065 1 63 . 2 2 76 76 PHE N N 15 . 2 2 76 76 PHE H H 1 0.72 0.07 . . . . . . . . . . 51065 1 64 . 2 2 77 77 GLU N N 15 . 2 2 77 77 GLU H H 1 0.7 0.07 . . . . . . . . . . 51065 1 65 . 2 2 78 78 GLU N N 15 . 2 2 78 78 GLU H H 1 0.77 0.08 . . . . . . . . . . 51065 1 66 . 2 2 79 79 PHE N N 15 . 2 2 79 79 PHE H H 1 0.88 0.09 . . . . . . . . . . 51065 1 67 . 2 2 80 80 ILE N N 15 . 2 2 80 80 ILE H H 1 0.84 0.08 . . . . . . . . . . 51065 1 68 . 2 2 81 81 MET N N 15 . 2 2 81 81 MET H H 1 0.76 0.08 . . . . . . . . . . 51065 1 69 . 2 2 82 82 LEU N N 15 . 2 2 82 82 LEU H H 1 0.84 0.08 . . . . . . . . . . 51065 1 70 . 2 2 83 83 MET N N 15 . 2 2 83 83 MET H H 1 0.86 0.09 . . . . . . . . . . 51065 1 71 . 2 2 84 84 ALA N N 15 . 2 2 84 84 ALA H H 1 0.83 0.08 . . . . . . . . . . 51065 1 72 . 2 2 85 85 ARG N N 15 . 2 2 85 85 ARG H H 1 0.85 0.09 . . . . . . . . . . 51065 1 73 . 2 2 86 86 LEU N N 15 . 2 2 86 86 LEU H H 1 0.81 0.08 . . . . . . . . . . 51065 1 74 . 2 2 88 88 TRP N N 15 . 2 2 88 88 TRP H H 1 0.91 0.09 . . . . . . . . . . 51065 1 75 . 2 2 89 89 ALA N N 15 . 2 2 89 89 ALA H H 1 0.77 0.08 . . . . . . . . . . 51065 1 76 . 2 2 90 90 SER N N 15 . 2 2 90 90 SER H H 1 0.85 0.09 . . . . . . . . . . 51065 1 77 . 2 2 91 91 HIS N N 15 . 2 2 91 91 HIS H H 1 0.76 0.08 . . . . . . . . . . 51065 1 78 . 2 2 93 93 LYS N N 15 . 2 2 93 93 LYS H H 1 0.5 0.05 . . . . . . . . . . 51065 1 79 . 2 2 94 94 MET N N 15 . 2 2 94 94 MET H H 1 0.5 0.05 . . . . . . . . . . 51065 1 80 . 2 2 99 99 GLU N N 15 . 2 2 99 99 GLU H H 1 0.33 0.03 . . . . . . . . . . 51065 1 81 . 2 2 100 100 GLY N N 15 . 2 2 100 100 GLY H H 1 0.32 0.03 . . . . . . . . . . 51065 1 82 . 2 2 102 102 GLY N N 15 . 2 2 102 102 GLY H H 1 0.38 0.04 . . . . . . . . . . 51065 1 83 . 2 2 103 103 HIS N N 15 . 2 2 103 103 HIS H H 1 0.52 0.05 . . . . . . . . . . 51065 1 84 . 2 2 104 104 HIS N N 15 . 2 2 104 104 HIS H H 1 0.31 0.03 . . . . . . . . . . 51065 1 85 . 2 2 105 105 HIS N N 15 . 2 2 105 105 HIS H H 1 0.37 0.04 . . . . . . . . . . 51065 1 86 . 2 2 108 108 GLY N N 15 . 2 2 108 108 GLY H H 1 0.27 0.03 . . . . . . . . . . 51065 1 87 . 2 2 109 109 LEU N N 15 . 2 2 109 109 LEU H H 1 0.26 0.03 . . . . . . . . . . 51065 1 88 . 2 2 110 110 GLY N N 15 . 2 2 110 110 GLY H H 1 0.13 0.01 . . . . . . . . . . 51065 1 89 . 2 2 111 111 GLU N N 15 . 2 2 111 111 GLU H H 1 0.14 0.01 . . . . . . . . . . 51065 1 90 . 2 2 112 112 GLY N N 15 . 2 2 112 112 GLY H H 1 0.19 0.02 . . . . . . . . . . 51065 1 91 . 2 2 113 113 THR N N 15 . 2 2 113 113 THR H H 1 0.29 0.03 . . . . . . . . . . 51065 1 stop_ save_