############################## # 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 26505 _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 'peak height' _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 3 '2D 1H-1H NOESY' . . . 26505 1 5 '13C-{1H} NOE' . . . 26505 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 1 1 G C5 C 13 . 1 1 1 1 G H H 1 1.25 0.02 . . . 19 G C5 . 19 G H 26505 1 2 . 1 1 1 1 G C1 C 13 . 1 1 1 1 G H H 1 1.69 0.19 . . . 19 G C1 . 19 G H 26505 1 3 . 1 1 2 2 G C5 C 13 . 1 1 2 2 G H H 1 1.19 0.03 . . . 20 G C5 . 20 G H 26505 1 4 . 1 1 3 3 C C5 C 13 . 1 1 3 3 C H H 1 1.19 0.04 . . . 21 C C5 . 21 C H 26505 1 5 . 1 1 3 3 C C1 C 13 . 1 1 3 3 C H H 1 1.21 0.01 . . . 21 C C1 . 21 C H 26505 1 6 . 1 1 4 4 A C5 C 13 . 1 1 4 4 A H H 1 1.21 0.02 . . . 22 A C5 . 22 A H 26505 1 7 . 1 1 5 5 G C1 C 13 . 1 1 5 5 G H H 1 1.23 0.02 . . . 23 G C1 . 23 G H 26505 1 8 . 1 1 6 6 A C5 C 13 . 1 1 6 6 A H H 1 1.28 0.02 . . . 24 A C5 . 24 A H 26505 1 9 . 1 1 6 6 A C1 C 13 . 1 1 6 6 A H H 1 1.26 0.03 . . . 24 A C1 . 24 A H 26505 1 10 . 1 1 7 7 G C5 C 13 . 1 1 7 7 G H H 1 1.18 0.02 . . . 25 G C5 . 25 G H 26505 1 11 . 1 1 7 7 G C1 C 13 . 1 1 7 7 G H H 1 1.19 0.02 . . . 25 G C1 . 25 G H 26505 1 12 . 1 1 8 8 U C5 C 13 . 1 1 8 8 U H H 1 1.17 0.05 . . . 26 U C5 . 26 U H 26505 1 13 . 1 1 8 8 U C1 C 13 . 1 1 8 8 U H H 1 1.18 0.01 . . . 26 U C1 . 26 U H 26505 1 14 . 1 1 8 8 U C6 C 13 . 1 1 8 8 U H H 1 1.08 0.03 . . . 26 U C6 . 26 U H 26505 1 15 . 1 1 9 9 C C5 C 13 . 1 1 9 9 C H H 1 1.4 0.05 . . . 27 C C5 . 27 C H 26505 1 16 . 1 1 9 9 C C1 C 13 . 1 1 9 9 C H H 1 1.21 0.01 . . . 27 C C1 . 27 C H 26505 1 17 . 1 1 9 9 C C6 C 13 . 1 1 9 9 C H H 1 1.18 0.03 . . . 27 C C6 . 27 C H 26505 1 18 . 1 1 10 10 C C1 C 13 . 1 1 10 10 C H H 1 1.23 0.01 . . . 28 C C1 . 28 C H 26505 1 19 . 1 1 11 11 U C5 C 13 . 1 1 11 11 U H H 1 1.28 0.03 . . . 29 U C5 . 29 U H 26505 1 20 . 1 1 11 11 U C1 C 13 . 1 1 11 11 U H H 1 1.22 0.01 . . . 29 U C1 . 29 U H 26505 1 21 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H H 1 1.2 0.02 . . . 29 U C6 . 29 U H 26505 1 22 . 1 1 12 12 U C5 C 13 . 1 1 12 12 U H H 1 1.27 0.02 . . . 30 U C5 . 30 U H 26505 1 23 . 1 1 12 12 U C1 C 13 . 1 1 12 12 U H H 1 1.27 0.01 . . . 30 U C1 . 30 U H 26505 1 24 . 1 1 12 12 U C6 C 13 . 1 1 12 12 U H H 1 1.27 0.02 . . . 30 U C6 . 30 U H 26505 1 25 . 1 1 13 13 C C5 C 13 . 1 1 13 13 C H H 1 1.13 0.04 . . . 33 C C5 . 33 C H 26505 1 26 . 1 1 13 13 C C1 C 13 . 1 1 13 13 C H H 1 1.22 0.02 . . . 33 C C1 . 33 C H 26505 1 27 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C H H 1 1.15 0.03 . . . 33 C C6 . 33 C H 26505 1 28 . 1 1 14 14 G C5 C 13 . 1 1 14 14 G H H 1 1.22 0.03 . . . 34 G C5 . 34 G H 26505 1 29 . 1 1 14 14 G C1 C 13 . 1 1 14 14 G H H 1 1.21 0.02 . . . 34 G C1 . 34 G H 26505 1 30 . 1 1 15 15 G C5 C 13 . 1 1 15 15 G H H 1 1.26 0.02 . . . 35 G C5 . 35 G H 26505 1 31 . 1 1 15 15 G C1 C 13 . 1 1 15 15 G H H 1 1.19 0.03 . . . 35 G C1 . 35 G H 26505 1 32 . 1 1 17 17 A C5 C 13 . 1 1 17 17 A H H 1 1.15 0.02 . . . 37 A C5 . 37 A H 26505 1 33 . 1 1 17 17 A C1 C 13 . 1 1 17 17 A H H 1 1.2 0.01 . . . 37 A C1 . 37 A H 26505 1 34 . 1 1 18 18 C C5 C 13 . 1 1 18 18 C H H 1 1.15 0.03 . . . 38 C C5 . 38 C H 26505 1 35 . 1 1 18 18 C C1 C 13 . 1 1 18 18 C H H 1 1.17 0.01 . . . 38 C C1 . 38 C H 26505 1 36 . 1 1 18 18 C C6 C 13 . 1 1 18 18 C H H 1 1.16 0.03 . . . 38 C C6 . 38 C H 26505 1 37 . 1 1 19 19 A C5 C 13 . 1 1 19 19 A H H 1 1.2 0.02 . . . 39 A C5 . 39 A H 26505 1 38 . 1 1 20 20 U C5 C 13 . 1 1 20 20 U H H 1 1.26 0.02 . . . 40 U C5 . 40 U H 26505 1 39 . 1 1 20 20 U C1 C 13 . 1 1 20 20 U H H 1 1.36 0.01 . . . 40 U C1 . 40 U H 26505 1 40 . 1 1 20 20 U C6 C 13 . 1 1 20 20 U H H 1 1.24 0.02 . . . 40 U C6 . 40 U H 26505 1 41 . 1 1 21 21 U C5 C 13 . 1 1 21 21 U H H 1 1.43 0.02 . . . 41 U C5 . 41 U H 26505 1 42 . 1 1 21 21 U C1 C 13 . 1 1 21 21 U H H 1 1.44 0.01 . . . 41 U C1 . 41 U H 26505 1 43 . 1 1 21 21 U C6 C 13 . 1 1 21 21 U H H 1 1.36 0.02 . . . 41 U C6 . 41 U H 26505 1 44 . 1 1 22 22 G C5 C 13 . 1 1 22 22 G H H 1 1.28 0.02 . . . 42 G C5 . 42 G H 26505 1 45 . 1 1 22 22 G C1 C 13 . 1 1 22 22 G H H 1 1.38 0.02 . . . 42 G C1 . 42 G H 26505 1 46 . 1 1 23 23 C C5 C 13 . 1 1 23 23 C H H 1 1.22 0.03 . . . 43 C C5 . 43 C H 26505 1 47 . 1 1 23 23 C C1 C 13 . 1 1 23 23 C H H 1 1.45 0.07 . . . 43 C C1 . 43 C H 26505 1 48 . 1 1 24 24 A C5 C 13 . 1 1 24 24 A H H 1 1.31 0.03 . . . 44 A C5 . 44 A H 26505 1 49 . 1 1 24 24 A C1 C 13 . 1 1 24 24 A H H 1 1.34 0.05 . . . 44 A C1 . 44 A H 26505 1 50 . 1 1 25 25 C C5 C 13 . 1 1 25 25 C H H 1 1.24 0.04 . . . 45 C C5 . 45 C H 26505 1 51 . 1 1 26 26 C C5 C 13 . 1 1 26 26 C H H 1 1.1 0.05 . . . 46 C C5 . 46 C H 26505 1 52 . 1 1 27 27 U C5 C 13 . 1 1 27 27 U H H 1 1.08 0.02 . . . 47 U C5 . 47 U H 26505 1 53 . 1 1 27 27 U C1 C 13 . 1 1 27 27 U H H 1 1.27 0.02 . . . 47 U C1 . 47 U H 26505 1 54 . 1 1 28 28 G C5 C 13 . 1 1 28 28 G H H 1 1.25 0.02 . . . 48 G C5 . 48 G H 26505 1 55 . 1 1 29 29 C C5 C 13 . 1 1 29 29 C H H 1 1.13 0.04 . . . 49 C C5 . 49 C H 26505 1 56 . 1 1 29 29 C C1 C 13 . 1 1 29 29 C H H 1 1.22 0.01 . . . 49 C C1 . 49 C H 26505 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 26505 _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 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _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 4 '2D 1H-1H NOESY' . . . 26505 2 6 '13C-{1H} NOE' . . . 26505 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 1 1 G C8 C 13 . 1 1 1 1 G H H 1 1.16 0.01 . . . 19 G C8 . 19 G H 26505 2 2 . 1 1 1 1 G C1 C 13 . 1 1 1 1 G H H 1 2.26 0.2 . . . 19 G C1 . 19 G H 26505 2 3 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G H H 1 1.24 0.01 . . . 20 G C8 . 20 G H 26505 2 4 . 1 1 3 3 C C1 C 13 . 1 1 3 3 C H H 1 1.36 0.02 . . . 21 C C1 . 21 C H 26505 2 5 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A H H 1 1.09 0.01 . . . 22 A C8 . 22 A H 26505 2 6 . 1 1 5 5 G C1 C 13 . 1 1 5 5 G H H 1 1.44 0.03 . . . 23 G C1 . 23 G H 26505 2 7 . 1 1 6 6 A C8 C 13 . 1 1 6 6 A H H 1 1.11 0.01 . . . 24 A C8 . 24 A H 26505 2 8 . 1 1 6 6 A C1 C 13 . 1 1 6 6 A H H 1 1.34 0.06 . . . 24 A C1 . 24 A H 26505 2 9 . 1 1 7 7 G C8 C 13 . 1 1 7 7 G H H 1 1.06 0.01 . . . 25 G C8 . 25 G H 26505 2 10 . 1 1 7 7 G C1 C 13 . 1 1 7 7 G H H 1 1.38 0.05 . . . 25 G C1 . 25 G H 26505 2 11 . 1 1 8 8 U C1 C 13 . 1 1 8 8 U H H 1 1.35 0.01 . . . 26 U C1 . 26 U H 26505 2 12 . 1 1 8 8 U C6 C 13 . 1 1 8 8 U H H 1 1.15 0.01 . . . 26 U C6 . 26 U H 26505 2 13 . 1 1 9 9 C C1 C 13 . 1 1 9 9 C H H 1 1.36 0.01 . . . 27 C C1 . 27 C H 26505 2 14 . 1 1 9 9 C C6 C 13 . 1 1 9 9 C H H 1 1.12 0.01 . . . 27 C C6 . 27 C H 26505 2 15 . 1 1 10 10 C C1 C 13 . 1 1 10 10 C H H 1 1.44 0.02 . . . 28 C C1 . 28 C H 26505 2 16 . 1 1 11 11 U C1 C 13 . 1 1 11 11 U H H 1 1.37 0.02 . . . 29 U C1 . 29 U H 26505 2 17 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H H 1 1.12 0.01 . . . 29 U C6 . 29 U H 26505 2 18 . 1 1 12 12 U C1 C 13 . 1 1 12 12 U H H 1 1.4 0.02 . . . 30 U C1 . 30 U H 26505 2 19 . 1 1 12 12 U C6 C 13 . 1 1 12 12 U H H 1 1.21 0.01 . . . 30 U C6 . 30 U H 26505 2 20 . 1 1 13 13 C C1 C 13 . 1 1 13 13 C H H 1 1.37 0.03 . . . 33 C C1 . 33 C H 26505 2 21 . 1 1 14 14 G C8 C 13 . 1 1 14 14 G H H 1 1 0.01 . . . 34 G C8 . 34 G H 26505 2 22 . 1 1 14 14 G C1 C 13 . 1 1 14 14 G H H 1 1.31 0.02 . . . 34 G C1 . 34 G H 26505 2 23 . 1 1 15 15 G C8 C 13 . 1 1 15 15 G H H 1 1.14 0.01 . . . 35 G C8 . 35 G H 26505 2 24 . 1 1 17 17 A C8 C 13 . 1 1 17 17 A H H 1 1.1 0.01 . . . 37 A C8 . 37 A H 26505 2 25 . 1 1 17 17 A C1 C 13 . 1 1 17 17 A H H 1 1.27 0.02 . . . 37 A C1 . 37 A H 26505 2 26 . 1 1 18 18 C C1 C 13 . 1 1 18 18 C H H 1 1.37 0.02 . . . 38 C C1 . 38 C H 26505 2 27 . 1 1 18 18 C C6 C 13 . 1 1 18 18 C H H 1 1.07 0.01 . . . 38 C C6 . 38 C H 26505 2 28 . 1 1 19 19 A C8 C 13 . 1 1 19 19 A H H 1 1.13 0.01 . . . 39 A C8 . 39 A H 26505 2 29 . 1 1 20 20 U C1 C 13 . 1 1 20 20 U H H 1 1.55 0.02 . . . 40 U C1 . 40 U H 26505 2 30 . 1 1 20 20 U C6 C 13 . 1 1 20 20 U H H 1 1.11 0.01 . . . 40 U C6 . 40 U H 26505 2 31 . 1 1 21 21 U C1 C 13 . 1 1 21 21 U H H 1 1.62 0.02 . . . 41 U C1 . 41 U H 26505 2 32 . 1 1 21 21 U C6 C 13 . 1 1 21 21 U H H 1 1.27 0.01 . . . 41 U C6 . 41 U H 26505 2 33 . 1 1 22 22 G C8 C 13 . 1 1 22 22 G H H 1 1.31 0.01 . . . 42 G C8 . 42 G H 26505 2 34 . 1 1 22 22 G C1 C 13 . 1 1 22 22 G H H 1 1.44 0.03 . . . 42 G C1 . 42 G H 26505 2 35 . 1 1 23 23 C C1 C 13 . 1 1 23 23 C H H 1 1.43 0.11 . . . 43 C C1 . 43 C H 26505 2 36 . 1 1 24 24 A C8 C 13 . 1 1 24 24 A H H 1 1.17 0.01 . . . 44 A C8 . 44 A H 26505 2 37 . 1 1 24 24 A C1 C 13 . 1 1 24 24 A H H 1 1.56 0.07 . . . 44 A C1 . 44 A H 26505 2 38 . 1 1 26 26 C C1 C 13 . 1 1 26 26 C H H 1 1.34 0.09 . . . 46 C C1 . 46 C H 26505 2 39 . 1 1 27 27 U C1 C 13 . 1 1 27 27 U H H 1 1.36 0.03 . . . 47 U C1 . 47 U H 26505 2 40 . 1 1 28 28 G C8 C 13 . 1 1 28 28 G H H 1 1.18 0.01 . . . 48 G C8 . 48 G H 26505 2 41 . 1 1 29 29 C C1 C 13 . 1 1 29 29 C H H 1 1.43 0.02 . . . 49 C C1 . 49 C H 26505 2 stop_ save_