############################## # 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 18230 _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 400 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 10e4 _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 21 '2D 15N-{1H} NOE' . . . 18230 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 GLU N N 15 . 1 1 3 3 GLU H H 1 0.792 0.092 . . . 3 GLU N . 3 GLU H 18230 1 2 . 1 1 4 4 LEU N N 15 . 1 1 4 4 LEU H H 1 0.678 0.032 . . . 4 LEU N . 4 LEU H 18230 1 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.811 0.040 . . . 5 GLU N . 5 GLU H 18230 1 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.755 0.030 . . . 6 THR N . 6 THR H 18230 1 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.782 0.031 . . . 7 ALA N . 7 ALA H 18230 1 6 . 1 1 8 8 MET N N 15 . 1 1 8 8 MET H H 1 0.855 0.034 . . . 8 MET N . 8 MET H 18230 1 7 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.730 0.034 . . . 9 GLU N . 9 GLU H 18230 1 8 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.815 0.033 . . . 10 THR N . 10 THR H 18230 1 9 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.714 0.031 . . . 11 LEU N . 11 LEU H 18230 1 10 . 1 1 12 12 ILE N N 15 . 1 1 12 12 ILE H H 1 0.862 0.044 . . . 12 ILE N . 12 ILE H 18230 1 11 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.827 0.045 . . . 13 ASN N . 13 ASN H 18230 1 12 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.788 0.036 . . . 14 VAL N . 14 VAL H 18230 1 13 . 1 1 15 15 PHE N N 15 . 1 1 15 15 PHE H H 1 0.769 0.030 . . . 15 PHE N . 15 PHE H 18230 1 14 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.820 0.038 . . . 16 HIS N . 16 HIS H 18230 1 15 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.755 0.024 . . . 17 ALA N . 17 ALA H 18230 1 16 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.790 0.039 . . . 18 HIS N . 18 HIS H 18230 1 17 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.737 0.031 . . . 19 SER N . 19 SER H 18230 1 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.800 0.033 . . . 20 GLY N . 20 GLY H 18230 1 19 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.750 0.025 . . . 21 LYS N . 21 LYS H 18230 1 20 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.690 0.024 . . . 22 GLU N . 22 GLU H 18230 1 21 . 1 1 26 26 TYR N N 15 . 1 1 26 26 TYR H H 1 0.686 0.031 . . . 26 TYR N . 26 TYR H 18230 1 22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.767 0.025 . . . 27 LYS N . 27 LYS H 18230 1 23 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.889 0.056 . . . 28 LEU N . 28 LEU H 18230 1 24 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.706 0.054 . . . 29 SER N . 29 SER H 18230 1 25 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.770 0.036 . . . 30 LYS N . 30 LYS H 18230 1 26 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.832 0.040 . . . 32 GLU N . 32 GLU H 18230 1 27 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.794 0.036 . . . 33 LEU N . 33 LEU H 18230 1 28 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.756 0.027 . . . 34 LYS N . 34 LYS H 18230 1 29 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.807 0.027 . . . 35 GLU N . 35 GLU H 18230 1 30 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.701 0.031 . . . 36 LEU N . 36 LEU H 18230 1 31 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.841 0.035 . . . 37 LEU N . 37 LEU H 18230 1 32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.706 0.027 . . . 38 GLN N . 38 GLN H 18230 1 33 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.729 0.032 . . . 39 THR N . 39 THR H 18230 1 34 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.742 0.033 . . . 40 GLU N . 40 GLU H 18230 1 35 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.688 0.022 . . . 42 SER N . 42 SER H 18230 1 36 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.859 0.224 . . . 43 GLY N . 43 GLY H 18230 1 37 . 1 1 44 44 PHE N N 15 . 1 1 44 44 PHE H H 1 0.715 0.035 . . . 44 PHE N . 44 PHE H 18230 1 38 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.772 0.019 . . . 45 LEU N . 45 LEU H 18230 1 39 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.628 0.032 . . . 47 ALA N . 47 ALA H 18230 1 40 . 1 1 48 48 GLN N N 15 . 1 1 48 48 GLN H H 1 0.625 0.035 . . . 48 GLN N . 48 GLN H 18230 1 41 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.264 0.025 . . . 50 ASP N . 50 ASP H 18230 1 42 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.531 0.086 . . . 51 VAL N . 51 VAL H 18230 1 43 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.437 0.060 . . . 52 ASP N . 52 ASP H 18230 1 44 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.647 0.028 . . . 53 ALA N . 53 ALA H 18230 1 45 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.662 0.038 . . . 54 VAL N . 54 VAL H 18230 1 46 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.733 0.022 . . . 55 ASP N . 55 ASP H 18230 1 47 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.776 0.027 . . . 56 LYS N . 56 LYS H 18230 1 48 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.714 0.030 . . . 57 VAL N . 57 VAL H 18230 1 49 . 1 1 58 58 MET N N 15 . 1 1 58 58 MET H H 1 0.846 0.028 . . . 58 MET N . 58 MET H 18230 1 50 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.788 0.022 . . . 59 LYS N . 59 LYS H 18230 1 51 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.752 0.027 . . . 60 GLU N . 60 GLU H 18230 1 52 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.797 0.035 . . . 61 LEU N . 61 LEU H 18230 1 53 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.723 0.029 . . . 63 GLU N . 63 GLU H 18230 1 54 . 1 1 64 64 ASN N N 15 . 1 1 64 64 ASN H H 1 0.728 0.024 . . . 64 ASN N . 64 ASN H 18230 1 55 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.788 0.024 . . . 65 GLY N . 65 GLY H 18230 1 56 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.760 0.022 . . . 66 ASP N . 66 ASP H 18230 1 57 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.794 0.031 . . . 67 GLY N . 67 GLY H 18230 1 58 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.829 0.022 . . . 68 GLU N . 68 GLU H 18230 1 59 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.682 0.043 . . . 69 VAL N . 69 VAL H 18230 1 60 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.731 0.050 . . . 70 ASP N . 70 ASP H 18230 1 61 . 1 1 71 71 PHE N N 15 . 1 1 71 71 PHE H H 1 0.758 0.035 . . . 71 PHE N . 71 PHE H 18230 1 62 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.788 0.039 . . . 74 TYR N . 74 TYR H 18230 1 63 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.699 0.029 . . . 75 VAL N . 75 VAL H 18230 1 64 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.713 0.029 . . . 76 VAL N . 76 VAL H 18230 1 65 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.828 0.035 . . . 77 LEU N . 77 LEU H 18230 1 66 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.775 0.039 . . . 78 VAL N . 78 VAL H 18230 1 67 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.686 0.032 . . . 79 ALA N . 79 ALA H 18230 1 68 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.752 0.025 . . . 80 ALA N . 80 ALA H 18230 1 69 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.775 0.035 . . . 81 LEU N . 81 LEU H 18230 1 70 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.736 0.040 . . . 82 THR N . 82 THR H 18230 1 71 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.802 0.043 . . . 83 VAL N . 83 VAL H 18230 1 72 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.737 0.027 . . . 84 ALA N . 84 ALA H 18230 1 73 . 1 1 85 85 CYS N N 15 . 1 1 85 85 CYS H H 1 0.694 0.030 . . . 85 CYS N . 85 CYS H 18230 1 74 . 1 1 86 86 ASN N N 15 . 1 1 86 86 ASN H H 1 0.756 0.034 . . . 86 ASN N . 86 ASN H 18230 1 75 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.749 0.031 . . . 87 ASN N . 87 ASN H 18230 1 76 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.599 0.021 . . . 88 PHE N . 88 PHE H 18230 1 77 . 1 1 90 90 TRP N N 15 . 1 1 90 90 TRP H H 1 0.616 0.025 . . . 90 TRP N . 90 TRP H 18230 1 78 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.426 0.018 . . . 91 GLU N . 91 GLU H 18230 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 18230 _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 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 10e4 _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 21 '2D 15N-{1H} NOE' . . . 18230 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 N N 15 . 1 1 4 4 LEU H H 1 0.714 0.080 . . . 4 LEU N . 4 LEU H 18230 2 2 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.503 0.080 . . . 5 GLU N . 5 GLU H 18230 2 3 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.679 0.075 . . . 6 THR N . 6 THR H 18230 2 4 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.962 0.097 . . . 7 ALA N . 7 ALA H 18230 2 5 . 1 1 8 8 MET N N 15 . 1 1 8 8 MET H H 1 0.945 0.111 . . . 8 MET N . 8 MET H 18230 2 6 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.651 0.110 . . . 9 GLU N . 9 GLU H 18230 2 7 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.732 0.113 . . . 10 THR N . 10 THR H 18230 2 8 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.594 0.069 . . . 11 LEU N . 11 LEU H 18230 2 9 . 1 1 12 12 ILE N N 15 . 1 1 12 12 ILE H H 1 0.878 0.119 . . . 12 ILE N . 12 ILE H 18230 2 10 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.564 0.107 . . . 13 ASN N . 13 ASN H 18230 2 11 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.742 0.084 . . . 14 VAL N . 14 VAL H 18230 2 12 . 1 1 15 15 PHE N N 15 . 1 1 15 15 PHE H H 1 0.722 0.098 . . . 15 PHE N . 15 PHE H 18230 2 13 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.521 0.117 . . . 16 HIS N . 16 HIS H 18230 2 14 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.695 0.071 . . . 17 ALA N . 17 ALA H 18230 2 15 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.784 0.091 . . . 18 HIS N . 18 HIS H 18230 2 16 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.725 0.076 . . . 19 SER N . 19 SER H 18230 2 17 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.563 0.081 . . . 20 GLY N . 20 GLY H 18230 2 18 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.695 0.070 . . . 21 LYS N . 21 LYS H 18230 2 19 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.867 0.067 . . . 22 GLU N . 22 GLU H 18230 2 20 . 1 1 26 26 TYR N N 15 . 1 1 26 26 TYR H H 1 0.614 0.104 . . . 26 TYR N . 26 TYR H 18230 2 21 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.628 0.062 . . . 27 LYS N . 27 LYS H 18230 2 22 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.931 0.146 . . . 28 LEU N . 28 LEU H 18230 2 23 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.875 0.131 . . . 29 SER N . 29 SER H 18230 2 24 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.799 0.104 . . . 30 LYS N . 30 LYS H 18230 2 25 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.750 0.116 . . . 31 LYS N . 31 LYS H 18230 2 26 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.850 0.101 . . . 32 GLU N . 32 GLU H 18230 2 27 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.725 0.074 . . . 33 LEU N . 33 LEU H 18230 2 28 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.848 0.069 . . . 34 LYS N . 34 LYS H 18230 2 29 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.716 0.069 . . . 35 GLU N . 35 GLU H 18230 2 30 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.777 0.098 . . . 36 LEU N . 36 LEU H 18230 2 31 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.739 0.093 . . . 37 LEU N . 37 LEU H 18230 2 32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.695 0.078 . . . 38 GLN N . 38 GLN H 18230 2 33 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.830 0.096 . . . 39 THR N . 39 THR H 18230 2 34 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.640 0.085 . . . 40 GLU N . 40 GLU H 18230 2 35 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.705 0.058 . . . 42 SER N . 42 SER H 18230 2 36 . 1 1 44 44 PHE N N 15 . 1 1 44 44 PHE H H 1 0.669 0.101 . . . 44 PHE N . 44 PHE H 18230 2 37 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.556 0.106 . . . 47 ALA N . 47 ALA H 18230 2 38 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.261 0.133 . . . 50 ASP N . 50 ASP H 18230 2 39 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.685 0.116 . . . 53 ALA N . 53 ALA H 18230 2 40 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.413 0.111 . . . 54 VAL N . 54 VAL H 18230 2 41 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.625 0.057 . . . 55 ASP N . 55 ASP H 18230 2 42 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.676 0.063 . . . 56 LYS N . 56 LYS H 18230 2 43 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.485 0.060 . . . 57 VAL N . 57 VAL H 18230 2 44 . 1 1 58 58 MET N N 15 . 1 1 58 58 MET H H 1 0.807 0.078 . . . 58 MET N . 58 MET H 18230 2 45 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.575 0.048 . . . 59 LYS N . 59 LYS H 18230 2 46 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.900 0.073 . . . 60 GLU N . 60 GLU H 18230 2 47 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.595 0.063 . . . 61 LEU N . 61 LEU H 18230 2 48 . 1 1 62 62 ASP N N 15 . 1 1 62 62 ASP H H 1 0.767 0.057 . . . 62 ASP N . 62 ASP H 18230 2 49 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.467 0.057 . . . 63 GLU N . 63 GLU H 18230 2 50 . 1 1 64 64 ASN N N 15 . 1 1 64 64 ASN H H 1 0.690 0.056 . . . 64 ASN N . 64 ASN H 18230 2 51 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.609 0.042 . . . 65 GLY N . 65 GLY H 18230 2 52 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.742 0.049 . . . 66 ASP N . 66 ASP H 18230 2 53 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.756 0.085 . . . 67 GLY N . 67 GLY H 18230 2 54 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.737 0.057 . . . 68 GLU N . 68 GLU H 18230 2 55 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.868 0.117 . . . 69 VAL N . 69 VAL H 18230 2 56 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.820 0.118 . . . 70 ASP N . 70 ASP H 18230 2 57 . 1 1 71 71 PHE N N 15 . 1 1 71 71 PHE H H 1 0.703 0.085 . . . 71 PHE N . 71 PHE H 18230 2 58 . 1 1 72 72 GLN N N 15 . 1 1 72 72 GLN H H 1 0.641 0.058 . . . 72 GLN N . 72 GLN H 18230 2 59 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.761 0.088 . . . 73 GLU N . 73 GLU H 18230 2 60 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.691 0.085 . . . 74 TYR N . 74 TYR H 18230 2 61 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.780 0.099 . . . 75 VAL N . 75 VAL H 18230 2 62 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 1.111 0.126 . . . 76 VAL N . 76 VAL H 18230 2 63 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.622 0.067 . . . 77 LEU N . 77 LEU H 18230 2 64 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.737 0.083 . . . 78 VAL N . 78 VAL H 18230 2 65 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.854 0.102 . . . 79 ALA N . 79 ALA H 18230 2 66 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.506 0.048 . . . 80 ALA N . 80 ALA H 18230 2 67 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.634 0.082 . . . 81 LEU N . 81 LEU H 18230 2 68 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.531 0.075 . . . 82 THR N . 82 THR H 18230 2 69 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.760 0.122 . . . 83 VAL N . 83 VAL H 18230 2 70 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.973 0.115 . . . 84 ALA N . 84 ALA H 18230 2 71 . 1 1 85 85 CYS N N 15 . 1 1 85 85 CYS H H 1 0.760 0.106 . . . 85 CYS N . 85 CYS H 18230 2 72 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.596 0.099 . . . 87 ASN N . 87 ASN H 18230 2 73 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.631 0.074 . . . 88 PHE N . 88 PHE H 18230 2 74 . 1 1 89 89 PHE N N 15 . 1 1 89 89 PHE H H 1 0.903 0.080 . . . 89 PHE N . 89 PHE H 18230 2 75 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.366 0.065 . . . 91 GLU N . 91 GLU H 18230 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 18230 _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 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 10e4 _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 21 '2D 15N-{1H} NOE' . . . 18230 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 GLU N N 15 . 1 1 3 3 GLU H H 1 0.706 0.025 . . . 3 GLU N . 3 GLU H 18230 3 2 . 1 1 4 4 LEU N N 15 . 1 1 4 4 LEU H H 1 0.843 0.018 . . . 4 LEU N . 4 LEU H 18230 3 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.818 0.018 . . . 5 GLU N . 5 GLU H 18230 3 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.785 0.015 . . . 6 THR N . 6 THR H 18230 3 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.863 0.015 . . . 7 ALA N . 7 ALA H 18230 3 6 . 1 1 8 8 MET N N 15 . 1 1 8 8 MET H H 1 0.838 0.015 . . . 8 MET N . 8 MET H 18230 3 7 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.841 0.018 . . . 9 GLU N . 9 GLU H 18230 3 8 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.853 0.016 . . . 10 THR N . 10 THR H 18230 3 9 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.862 0.015 . . . 11 LEU N . 11 LEU H 18230 3 10 . 1 1 12 12 ILE N N 15 . 1 1 12 12 ILE H H 1 0.792 0.017 . . . 12 ILE N . 12 ILE H 18230 3 11 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.909 0.021 . . . 13 ASN N . 13 ASN H 18230 3 12 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.844 0.016 . . . 14 VAL N . 14 VAL H 18230 3 13 . 1 1 15 15 PHE N N 15 . 1 1 15 15 PHE H H 1 0.879 0.019 . . . 15 PHE N . 15 PHE H 18230 3 14 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.870 0.020 . . . 16 HIS N . 16 HIS H 18230 3 15 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.824 0.012 . . . 17 ALA N . 17 ALA H 18230 3 16 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.826 0.018 . . . 18 HIS N . 18 HIS H 18230 3 17 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.867 0.017 . . . 19 SER N . 19 SER H 18230 3 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.789 0.015 . . . 20 GLY N . 20 GLY H 18230 3 19 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.781 0.011 . . . 21 LYS N . 21 LYS H 18230 3 20 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.797 0.011 . . . 22 GLU N . 22 GLU H 18230 3 21 . 1 1 26 26 TYR N N 15 . 1 1 26 26 TYR H H 1 0.806 0.014 . . . 26 TYR N . 26 TYR H 18230 3 22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.816 0.011 . . . 27 LYS N . 27 LYS H 18230 3 23 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.820 0.017 . . . 28 LEU N . 28 LEU H 18230 3 24 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.799 0.018 . . . 29 SER N . 29 SER H 18230 3 25 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.780 0.012 . . . 30 LYS N . 30 LYS H 18230 3 26 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.841 0.012 . . . 31 LYS N . 31 LYS H 18230 3 27 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.883 0.017 . . . 32 GLU N . 32 GLU H 18230 3 28 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.842 0.016 . . . 33 LEU N . 33 LEU H 18230 3 29 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.880 0.013 . . . 34 LYS N . 34 LYS H 18230 3 30 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.812 0.013 . . . 35 GLU N . 35 GLU H 18230 3 31 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.807 0.014 . . . 36 LEU N . 36 LEU H 18230 3 32 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.832 0.016 . . . 37 LEU N . 37 LEU H 18230 3 33 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.812 0.012 . . . 38 GLN N . 38 GLN H 18230 3 34 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.840 0.016 . . . 39 THR N . 39 THR H 18230 3 35 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.876 0.017 . . . 40 GLU N . 40 GLU H 18230 3 36 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.705 0.010 . . . 42 SER N . 42 SER H 18230 3 37 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.734 0.028 . . . 43 GLY N . 43 GLY H 18230 3 38 . 1 1 44 44 PHE N N 15 . 1 1 44 44 PHE H H 1 0.748 0.014 . . . 44 PHE N . 44 PHE H 18230 3 39 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.741 0.013 . . . 45 LEU N . 45 LEU H 18230 3 40 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.665 0.012 . . . 47 ALA N . 47 ALA H 18230 3 41 . 1 1 48 48 GLN N N 15 . 1 1 48 48 GLN H H 1 0.578 0.011 . . . 48 GLN N . 48 GLN H 18230 3 42 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.384 0.008 . . . 50 ASP N . 50 ASP H 18230 3 43 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.549 0.017 . . . 51 VAL N . 51 VAL H 18230 3 44 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.623 0.014 . . . 52 ASP N . 52 ASP H 18230 3 45 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.677 0.010 . . . 53 ALA N . 53 ALA H 18230 3 46 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.706 0.014 . . . 54 VAL N . 54 VAL H 18230 3 47 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.778 0.010 . . . 55 ASP N . 55 ASP H 18230 3 48 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.784 0.011 . . . 56 LYS N . 56 LYS H 18230 3 49 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.729 0.012 . . . 57 VAL N . 57 VAL H 18230 3 50 . 1 1 58 58 MET N N 15 . 1 1 58 58 MET H H 1 0.822 0.012 . . . 58 MET N . 58 MET H 18230 3 51 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.817 0.010 . . . 59 LYS N . 59 LYS H 18230 3 52 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.812 0.012 . . . 60 GLU N . 60 GLU H 18230 3 53 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.820 0.016 . . . 61 LEU N . 61 LEU H 18230 3 54 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.807 0.011 . . . 63 GLU N . 63 GLU H 18230 3 55 . 1 1 64 64 ASN N N 15 . 1 1 64 64 ASN H H 1 0.782 0.010 . . . 64 ASN N . 64 ASN H 18230 3 56 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.859 0.010 . . . 65 GLY N . 65 GLY H 18230 3 57 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.846 0.010 . . . 66 ASP N . 66 ASP H 18230 3 58 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.773 0.012 . . . 67 GLY N . 67 GLY H 18230 3 59 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.773 0.010 . . . 68 GLU N . 68 GLU H 18230 3 60 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.812 0.016 . . . 69 VAL N . 69 VAL H 18230 3 61 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.831 0.019 . . . 70 ASP N . 70 ASP H 18230 3 62 . 1 1 71 71 PHE N N 15 . 1 1 71 71 PHE H H 1 0.815 0.016 . . . 71 PHE N . 71 PHE H 18230 3 63 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.880 0.016 . . . 74 TYR N . 74 TYR H 18230 3 64 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.844 0.014 . . . 75 VAL N . 75 VAL H 18230 3 65 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.818 0.014 . . . 76 VAL N . 76 VAL H 18230 3 66 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.800 0.015 . . . 77 LEU N . 77 LEU H 18230 3 67 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.817 0.016 . . . 78 VAL N . 78 VAL H 18230 3 68 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.929 0.019 . . . 79 ALA N . 79 ALA H 18230 3 69 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.789 0.011 . . . 80 ALA N . 80 ALA H 18230 3 70 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.842 0.016 . . . 81 LEU N . 81 LEU H 18230 3 71 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.850 0.016 . . . 82 THR N . 82 THR H 18230 3 72 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.887 0.021 . . . 83 VAL N . 83 VAL H 18230 3 73 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.842 0.012 . . . 84 ALA N . 84 ALA H 18230 3 74 . 1 1 85 85 CYS N N 15 . 1 1 85 85 CYS H H 1 0.802 0.015 . . . 85 CYS N . 85 CYS H 18230 3 75 . 1 1 86 86 ASN N N 15 . 1 1 86 86 ASN H H 1 0.821 0.018 . . . 86 ASN N . 86 ASN H 18230 3 76 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.831 0.014 . . . 87 ASN N . 87 ASN H 18230 3 77 . 1 1 89 89 PHE N N 15 . 1 1 89 89 PHE H H 1 0.746 0.018 . . . 89 PHE N . 89 PHE H 18230 3 78 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.570 0.006 . . . 91 GLU N . 91 GLU H 18230 3 stop_ save_