############################## # 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 17857 _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 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 16 '2D 1H-15N heteronuclear NOE' . . . 17857 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 2 2 SER H H 1 . 1 1 2 2 SER N N 15 0.547 0.055 . . . 2 SER H . 2 SER N 17857 1 2 . 1 1 3 3 GLU H H 1 . 1 1 3 3 GLU N N 15 0.704 0.039 . . . 3 GLU H . 3 GLU N 17857 1 3 . 1 1 4 4 LEU H H 1 . 1 1 4 4 LEU N N 15 0.759 0.021 . . . 4 LEU H . 4 LEU N 17857 1 4 . 1 1 5 5 GLU H H 1 . 1 1 5 5 GLU N N 15 0.758 0.021 . . . 5 GLU H . 5 GLU N 17857 1 5 . 1 1 6 6 THR H H 1 . 1 1 6 6 THR N N 15 0.740 0.018 . . . 6 THR H . 6 THR N 17857 1 6 . 1 1 7 7 ALA H H 1 . 1 1 7 7 ALA N N 15 0.775 0.018 . . . 7 ALA H . 7 ALA N 17857 1 7 . 1 1 8 8 MET H H 1 . 1 1 8 8 MET N N 15 0.786 0.017 . . . 8 MET H . 8 MET N 17857 1 8 . 1 1 10 10 THR H H 1 . 1 1 10 10 THR N N 15 0.771 0.020 . . . 10 THR H . 10 THR N 17857 1 9 . 1 1 12 12 ILE H H 1 . 1 1 12 12 ILE N N 15 0.740 0.019 . . . 12 ILE H . 12 ILE N 17857 1 10 . 1 1 14 14 VAL H H 1 . 1 1 14 14 VAL N N 15 0.736 0.016 . . . 14 VAL H . 14 VAL N 17857 1 11 . 1 1 15 15 PHE H H 1 . 1 1 15 15 PHE N N 15 0.768 0.018 . . . 15 PHE H . 15 PHE N 17857 1 12 . 1 1 16 16 HIS H H 1 . 1 1 16 16 HIS N N 15 0.826 0.022 . . . 16 HIS H . 16 HIS N 17857 1 13 . 1 1 17 17 ALA H H 1 . 1 1 17 17 ALA N N 15 0.777 0.013 . . . 17 ALA H . 17 ALA N 17857 1 14 . 1 1 18 18 HIS H H 1 . 1 1 18 18 HIS N N 15 0.733 0.019 . . . 18 HIS H . 18 HIS N 17857 1 15 . 1 1 20 20 GLY H H 1 . 1 1 20 20 GLY N N 15 0.716 0.016 . . . 20 GLY H . 20 GLY N 17857 1 16 . 1 1 21 21 LYS H H 1 . 1 1 21 21 LYS N N 15 0.732 0.017 . . . 21 LYS H . 21 LYS N 17857 1 17 . 1 1 22 22 GLU H H 1 . 1 1 22 22 GLU N N 15 0.616 0.022 . . . 22 GLU H . 22 GLU N 17857 1 18 . 1 1 23 23 GLY H H 1 . 1 1 23 23 GLY N N 15 0.592 0.020 . . . 23 GLY H . 23 GLY N 17857 1 19 . 1 1 24 24 ASP H H 1 . 1 1 24 24 ASP N N 15 0.658 0.015 . . . 24 ASP H . 24 ASP N 17857 1 20 . 1 1 25 25 LYS H H 1 . 1 1 25 25 LYS N N 15 0.621 0.020 . . . 25 LYS H . 25 LYS N 17857 1 21 . 1 1 26 26 TYR H H 1 . 1 1 26 26 TYR N N 15 0.696 0.017 . . . 26 TYR H . 26 TYR N 17857 1 22 . 1 1 27 27 LYS H H 1 . 1 1 27 27 LYS N N 15 0.724 0.014 . . . 27 LYS H . 27 LYS N 17857 1 23 . 1 1 29 29 SER H H 1 . 1 1 29 29 SER N N 15 0.688 0.014 . . . 29 SER H . 29 SER N 17857 1 24 . 1 1 30 30 LYS H H 1 . 1 1 30 30 LYS N N 15 0.800 0.021 . . . 30 LYS H . 30 LYS N 17857 1 25 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.776 0.013 . . . 31 LYS H . 31 LYS N 17857 1 26 . 1 1 32 32 GLN H H 1 . 1 1 32 32 GLN N N 15 0.788 0.015 . . . 32 GLN H . 32 GLN N 17857 1 27 . 1 1 33 33 LEU H H 1 . 1 1 33 33 LEU N N 15 0.756 0.017 . . . 33 LEU H . 33 LEU N 17857 1 28 . 1 1 34 34 LYS H H 1 . 1 1 34 34 LYS N N 15 0.711 0.014 . . . 34 LYS H . 34 LYS N 17857 1 29 . 1 1 35 35 GLU H H 1 . 1 1 35 35 GLU N N 15 0.756 0.014 . . . 35 GLU H . 35 GLU N 17857 1 30 . 1 1 36 36 LEU H H 1 . 1 1 36 36 LEU N N 15 0.732 0.014 . . . 36 LEU H . 36 LEU N 17857 1 31 . 1 1 38 38 GLN H H 1 . 1 1 38 38 GLN N N 15 0.740 0.016 . . . 38 GLN H . 38 GLN N 17857 1 32 . 1 1 39 39 THR H H 1 . 1 1 39 39 THR N N 15 0.761 0.016 . . . 39 THR H . 39 THR N 17857 1 33 . 1 1 40 40 GLU H H 1 . 1 1 40 40 GLU N N 15 0.699 0.020 . . . 40 GLU H . 40 GLU N 17857 1 34 . 1 1 41 41 LEU H H 1 . 1 1 41 41 LEU N N 15 0.771 0.019 . . . 41 LEU H . 41 LEU N 17857 1 35 . 1 1 42 42 SER H H 1 . 1 1 42 42 SER N N 15 0.725 0.013 . . . 42 SER H . 42 SER N 17857 1 36 . 1 1 43 43 GLY H H 1 . 1 1 43 43 GLY N N 15 0.707 0.022 . . . 43 GLY H . 43 GLY N 17857 1 37 . 1 1 44 44 PHE H H 1 . 1 1 44 44 PHE N N 15 0.712 0.017 . . . 44 PHE H . 44 PHE N 17857 1 38 . 1 1 45 45 LEU H H 1 . 1 1 45 45 LEU N N 15 0.766 0.018 . . . 45 LEU H . 45 LEU N 17857 1 39 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.736 0.012 . . . 46 ASP H . 46 ASP N 17857 1 40 . 1 1 47 47 ALA H H 1 . 1 1 47 47 ALA N N 15 0.697 0.014 . . . 47 ALA H . 47 ALA N 17857 1 41 . 1 1 48 48 GLN H H 1 . 1 1 48 48 GLN N N 15 0.574 0.008 . . . 48 GLN H . 48 GLN N 17857 1 42 . 1 1 51 51 VAL H H 1 . 1 1 51 51 VAL N N 15 0.733 0.013 . . . 51 VAL H . 51 VAL N 17857 1 43 . 1 1 52 52 ASP H H 1 . 1 1 52 52 ASP N N 15 0.772 0.012 . . . 52 ASP H . 52 ASP N 17857 1 44 . 1 1 53 53 ALA H H 1 . 1 1 53 53 ALA N N 15 0.750 0.012 . . . 53 ALA H . 53 ALA N 17857 1 45 . 1 1 54 54 VAL H H 1 . 1 1 54 54 VAL N N 15 0.752 0.015 . . . 54 VAL H . 54 VAL N 17857 1 46 . 1 1 55 55 ASP H H 1 . 1 1 55 55 ASP N N 15 0.748 0.013 . . . 55 ASP H . 55 ASP N 17857 1 47 . 1 1 56 56 LYS H H 1 . 1 1 56 56 LYS N N 15 0.728 0.011 . . . 56 LYS H . 56 LYS N 17857 1 48 . 1 1 57 57 VAL H H 1 . 1 1 57 57 VAL N N 15 0.743 0.014 . . . 57 VAL H . 57 VAL N 17857 1 49 . 1 1 58 58 MET H H 1 . 1 1 58 58 MET N N 15 0.758 0.015 . . . 58 MET H . 58 MET N 17857 1 50 . 1 1 59 59 LYS H H 1 . 1 1 59 59 LYS N N 15 0.739 0.012 . . . 59 LYS H . 59 LYS N 17857 1 51 . 1 1 60 60 GLU H H 1 . 1 1 60 60 GLU N N 15 0.726 0.012 . . . 60 GLU H . 60 GLU N 17857 1 52 . 1 1 61 61 LEU H H 1 . 1 1 61 61 LEU N N 15 0.721 0.014 . . . 61 LEU H . 61 LEU N 17857 1 53 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.697 0.013 . . . 62 ASP H . 62 ASP N 17857 1 54 . 1 1 63 63 GLU H H 1 . 1 1 63 63 GLU N N 15 0.685 0.013 . . . 63 GLU H . 63 GLU N 17857 1 55 . 1 1 64 64 ASN H H 1 . 1 1 64 64 ASN N N 15 0.716 0.016 . . . 64 ASN H . 64 ASN N 17857 1 56 . 1 1 65 65 GLY H H 1 . 1 1 65 65 GLY N N 15 0.704 0.015 . . . 65 GLY H . 65 GLY N 17857 1 57 . 1 1 66 66 ASP H H 1 . 1 1 66 66 ASP N N 15 0.736 0.014 . . . 66 ASP H . 66 ASP N 17857 1 58 . 1 1 67 67 GLY H H 1 . 1 1 67 67 GLY N N 15 0.650 0.013 . . . 67 GLY H . 67 GLY N 17857 1 59 . 1 1 68 68 GLU H H 1 . 1 1 68 68 GLU N N 15 0.650 0.013 . . . 68 GLU H . 68 GLU N 17857 1 60 . 1 1 69 69 VAL H H 1 . 1 1 69 69 VAL N N 15 0.726 0.023 . . . 69 VAL H . 69 VAL N 17857 1 61 . 1 1 70 70 ASP H H 1 . 1 1 70 70 ASP N N 15 0.770 0.022 . . . 70 ASP H . 70 ASP N 17857 1 62 . 1 1 71 71 PHE H H 1 . 1 1 71 71 PHE N N 15 0.804 0.024 . . . 71 PHE H . 71 PHE N 17857 1 63 . 1 1 72 72 GLN H H 1 . 1 1 72 72 GLN N N 15 0.749 0.014 . . . 72 GLN H . 72 GLN N 17857 1 64 . 1 1 73 73 GLU H H 1 . 1 1 73 73 GLU N N 15 0.737 0.015 . . . 73 GLU H . 73 GLU N 17857 1 65 . 1 1 74 74 TYR H H 1 . 1 1 74 74 TYR N N 15 0.753 0.020 . . . 74 TYR H . 74 TYR N 17857 1 66 . 1 1 75 75 VAL H H 1 . 1 1 75 75 VAL N N 15 0.782 0.015 . . . 75 VAL H . 75 VAL N 17857 1 67 . 1 1 78 78 VAL H H 1 . 1 1 78 78 VAL N N 15 0.761 0.014 . . . 78 VAL H . 78 VAL N 17857 1 68 . 1 1 79 79 ALA H H 1 . 1 1 79 79 ALA N N 15 0.834 0.019 . . . 79 ALA H . 79 ALA N 17857 1 69 . 1 1 81 81 LEU H H 1 . 1 1 81 81 LEU N N 15 0.803 0.018 . . . 81 LEU H . 81 LEU N 17857 1 70 . 1 1 82 82 THR H H 1 . 1 1 82 82 THR N N 15 0.742 0.018 . . . 82 THR H . 82 THR N 17857 1 71 . 1 1 84 84 ALA H H 1 . 1 1 84 84 ALA N N 15 0.803 0.015 . . . 84 ALA H . 84 ALA N 17857 1 72 . 1 1 85 85 CYS H H 1 . 1 1 85 85 CYS N N 15 0.786 0.022 . . . 85 CYS H . 85 CYS N 17857 1 73 . 1 1 86 86 ASN H H 1 . 1 1 86 86 ASN N N 15 0.698 0.017 . . . 86 ASN H . 86 ASN N 17857 1 74 . 1 1 89 89 PHE H H 1 . 1 1 89 89 PHE N N 15 0.677 0.020 . . . 89 PHE H . 89 PHE N 17857 1 75 . 1 1 90 90 TRP H H 1 . 1 1 90 90 TRP N N 15 0.670 0.019 . . . 90 TRP H . 90 TRP N 17857 1 76 . 1 1 92 92 ASN H H 1 . 1 1 92 92 ASN N N 15 -0.340 0.036 . . . 92 ASN H . 92 ASN N 17857 1 77 . 1 1 93 93 SER H H 1 . 1 1 93 93 SER N N 15 -1.693 0.016 . . . 93 SER H . 93 SER N 17857 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 17857 _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 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 16 '2D 1H-15N heteronuclear NOE' . . . 17857 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 2 2 SER H H 1 . 1 1 2 2 SER N N 15 0.261 0.068 . . . 2 SER H . 2 SER N 17857 2 2 . 1 1 3 3 GLU H H 1 . 1 1 3 3 GLU N N 15 0.887 0.079 . . . 3 GLU H . 3 GLU N 17857 2 3 . 1 1 4 4 LEU H H 1 . 1 1 4 4 LEU N N 15 0.798 0.037 . . . 4 LEU H . 4 LEU N 17857 2 4 . 1 1 5 5 GLU H H 1 . 1 1 5 5 GLU N N 15 0.940 0.046 . . . 5 GLU H . 5 GLU N 17857 2 5 . 1 1 6 6 THR H H 1 . 1 1 6 6 THR N N 15 0.845 0.032 . . . 6 THR H . 6 THR N 17857 2 6 . 1 1 7 7 ALA H H 1 . 1 1 7 7 ALA N N 15 0.775 0.026 . . . 7 ALA H . 7 ALA N 17857 2 7 . 1 1 8 8 MET H H 1 . 1 1 8 8 MET N N 15 0.817 0.029 . . . 8 MET H . 8 MET N 17857 2 8 . 1 1 10 10 THR H H 1 . 1 1 10 10 THR N N 15 0.795 0.031 . . . 10 THR H . 10 THR N 17857 2 9 . 1 1 12 12 ILE H H 1 . 1 1 12 12 ILE N N 15 0.732 0.032 . . . 12 ILE H . 12 ILE N 17857 2 10 . 1 1 14 14 VAL H H 1 . 1 1 14 14 VAL N N 15 0.827 0.029 . . . 14 VAL H . 14 VAL N 17857 2 11 . 1 1 15 15 PHE H H 1 . 1 1 15 15 PHE N N 15 0.810 0.028 . . . 15 PHE H . 15 PHE N 17857 2 12 . 1 1 16 16 HIS H H 1 . 1 1 16 16 HIS N N 15 0.816 0.034 . . . 16 HIS H . 16 HIS N 17857 2 13 . 1 1 17 17 ALA H H 1 . 1 1 17 17 ALA N N 15 0.786 0.022 . . . 17 ALA H . 17 ALA N 17857 2 14 . 1 1 18 18 HIS H H 1 . 1 1 18 18 HIS N N 15 0.852 0.035 . . . 18 HIS H . 18 HIS N 17857 2 15 . 1 1 20 20 GLY H H 1 . 1 1 20 20 GLY N N 15 0.769 0.025 . . . 20 GLY H . 20 GLY N 17857 2 16 . 1 1 21 21 LYS H H 1 . 1 1 21 21 LYS N N 15 0.781 0.026 . . . 21 LYS H . 21 LYS N 17857 2 17 . 1 1 22 22 GLU H H 1 . 1 1 22 22 GLU N N 15 0.717 0.052 . . . 22 GLU H . 22 GLU N 17857 2 18 . 1 1 23 23 GLY H H 1 . 1 1 23 23 GLY N N 15 0.583 0.035 . . . 23 GLY H . 23 GLY N 17857 2 19 . 1 1 24 24 ASP H H 1 . 1 1 24 24 ASP N N 15 0.819 0.034 . . . 24 ASP H . 24 ASP N 17857 2 20 . 1 1 25 25 LYS H H 1 . 1 1 25 25 LYS N N 15 0.737 0.040 . . . 25 LYS H . 25 LYS N 17857 2 21 . 1 1 26 26 TYR H H 1 . 1 1 26 26 TYR N N 15 0.771 0.030 . . . 26 TYR H . 26 TYR N 17857 2 22 . 1 1 27 27 LYS H H 1 . 1 1 27 27 LYS N N 15 0.701 0.025 . . . 27 LYS H . 27 LYS N 17857 2 23 . 1 1 29 29 SER H H 1 . 1 1 29 29 SER N N 15 0.699 0.024 . . . 29 SER H . 29 SER N 17857 2 24 . 1 1 30 30 LYS H H 1 . 1 1 30 30 LYS N N 15 0.813 0.035 . . . 30 LYS H . 30 LYS N 17857 2 25 . 1 1 32 32 GLN H H 1 . 1 1 32 32 GLN N N 15 0.778 0.024 . . . 32 GLN H . 32 GLN N 17857 2 26 . 1 1 33 33 LEU H H 1 . 1 1 33 33 LEU N N 15 0.769 0.027 . . . 33 LEU H . 33 LEU N 17857 2 27 . 1 1 34 34 LYS H H 1 . 1 1 34 34 LYS N N 15 0.838 0.024 . . . 34 LYS H . 34 LYS N 17857 2 28 . 1 1 35 35 GLU H H 1 . 1 1 35 35 GLU N N 15 0.823 0.024 . . . 35 GLU H . 35 GLU N 17857 2 29 . 1 1 36 36 LEU H H 1 . 1 1 36 36 LEU N N 15 0.801 0.024 . . . 36 LEU H . 36 LEU N 17857 2 30 . 1 1 38 38 GLN H H 1 . 1 1 38 38 GLN N N 15 0.768 0.027 . . . 38 GLN H . 38 GLN N 17857 2 31 . 1 1 39 39 THR H H 1 . 1 1 39 39 THR N N 15 0.846 0.028 . . . 39 THR H . 39 THR N 17857 2 32 . 1 1 40 40 GLU H H 1 . 1 1 40 40 GLU N N 15 0.809 0.036 . . . 40 GLU H . 40 GLU N 17857 2 33 . 1 1 41 41 LEU H H 1 . 1 1 41 41 LEU N N 15 0.687 0.028 . . . 41 LEU H . 41 LEU N 17857 2 34 . 1 1 42 42 SER H H 1 . 1 1 42 42 SER N N 15 0.750 0.023 . . . 42 SER H . 42 SER N 17857 2 35 . 1 1 43 43 GLY H H 1 . 1 1 43 43 GLY N N 15 0.761 0.038 . . . 43 GLY H . 43 GLY N 17857 2 36 . 1 1 44 44 PHE H H 1 . 1 1 44 44 PHE N N 15 0.819 0.034 . . . 44 PHE H . 44 PHE N 17857 2 37 . 1 1 45 45 LEU H H 1 . 1 1 45 45 LEU N N 15 0.869 0.033 . . . 45 LEU H . 45 LEU N 17857 2 38 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.765 0.018 . . . 46 ASP H . 46 ASP N 17857 2 39 . 1 1 47 47 ALA H H 1 . 1 1 47 47 ALA N N 15 0.726 0.023 . . . 47 ALA H . 47 ALA N 17857 2 40 . 1 1 48 48 GLN H H 1 . 1 1 48 48 GLN N N 15 0.652 0.014 . . . 48 GLN H . 48 GLN N 17857 2 41 . 1 1 51 51 VAL H H 1 . 1 1 51 51 VAL N N 15 0.761 0.021 . . . 51 VAL H . 51 VAL N 17857 2 42 . 1 1 52 52 ASP H H 1 . 1 1 52 52 ASP N N 15 0.783 0.022 . . . 52 ASP H . 52 ASP N 17857 2 43 . 1 1 53 53 ALA H H 1 . 1 1 53 53 ALA N N 15 0.784 0.020 . . . 53 ALA H . 53 ALA N 17857 2 44 . 1 1 54 54 VAL H H 1 . 1 1 54 54 VAL N N 15 0.808 0.024 . . . 54 VAL H . 54 VAL N 17857 2 45 . 1 1 55 55 ASP H H 1 . 1 1 55 55 ASP N N 15 0.769 0.020 . . . 55 ASP H . 55 ASP N 17857 2 46 . 1 1 56 56 LYS H H 1 . 1 1 56 56 LYS N N 15 0.775 0.020 . . . 56 LYS H . 56 LYS N 17857 2 47 . 1 1 57 57 VAL H H 1 . 1 1 57 57 VAL N N 15 0.732 0.021 . . . 57 VAL H . 57 VAL N 17857 2 48 . 1 1 58 58 MET H H 1 . 1 1 58 58 MET N N 15 0.791 0.026 . . . 58 MET H . 58 MET N 17857 2 49 . 1 1 59 59 LYS H H 1 . 1 1 59 59 LYS N N 15 0.835 0.022 . . . 59 LYS H . 59 LYS N 17857 2 50 . 1 1 60 60 GLU H H 1 . 1 1 60 60 GLU N N 15 0.800 0.019 . . . 60 GLU H . 60 GLU N 17857 2 51 . 1 1 61 61 LEU H H 1 . 1 1 61 61 LEU N N 15 0.456 0.013 . . . 61 LEU H . 61 LEU N 17857 2 52 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.706 0.018 . . . 62 ASP H . 62 ASP N 17857 2 53 . 1 1 63 63 GLU H H 1 . 1 1 63 63 GLU N N 15 0.647 0.018 . . . 63 GLU H . 63 GLU N 17857 2 54 . 1 1 64 64 ASN H H 1 . 1 1 64 64 ASN N N 15 0.715 0.025 . . . 64 ASN H . 64 ASN N 17857 2 55 . 1 1 65 65 GLY H H 1 . 1 1 65 65 GLY N N 15 0.721 0.023 . . . 65 GLY H . 65 GLY N 17857 2 56 . 1 1 66 66 ASP H H 1 . 1 1 66 66 ASP N N 15 0.799 0.022 . . . 66 ASP H . 66 ASP N 17857 2 57 . 1 1 67 67 GLY H H 1 . 1 1 67 67 GLY N N 15 0.717 0.020 . . . 67 GLY H . 67 GLY N 17857 2 58 . 1 1 68 68 GLU H H 1 . 1 1 68 68 GLU N N 15 0.698 0.022 . . . 68 GLU H . 68 GLU N 17857 2 59 . 1 1 69 69 VAL H H 1 . 1 1 69 69 VAL N N 15 0.728 0.036 . . . 69 VAL H . 69 VAL N 17857 2 60 . 1 1 70 70 ASP H H 1 . 1 1 70 70 ASP N N 15 0.736 0.030 . . . 70 ASP H . 70 ASP N 17857 2 61 . 1 1 71 71 PHE H H 1 . 1 1 71 71 PHE N N 15 0.817 0.038 . . . 71 PHE H . 71 PHE N 17857 2 62 . 1 1 72 72 GLN H H 1 . 1 1 72 72 GLN N N 15 0.795 0.024 . . . 72 GLN H . 72 GLN N 17857 2 63 . 1 1 73 73 GLU H H 1 . 1 1 73 73 GLU N N 15 0.794 0.025 . . . 73 GLU H . 73 GLU N 17857 2 64 . 1 1 74 74 TYR H H 1 . 1 1 74 74 TYR N N 15 0.875 0.035 . . . 74 TYR H . 74 TYR N 17857 2 65 . 1 1 75 75 VAL H H 1 . 1 1 75 75 VAL N N 15 0.768 0.024 . . . 75 VAL H . 75 VAL N 17857 2 66 . 1 1 78 78 VAL H H 1 . 1 1 78 78 VAL N N 15 0.796 0.022 . . . 78 VAL H . 78 VAL N 17857 2 67 . 1 1 79 79 ALA H H 1 . 1 1 79 79 ALA N N 15 0.810 0.023 . . . 79 ALA H . 79 ALA N 17857 2 68 . 1 1 81 81 LEU H H 1 . 1 1 81 81 LEU N N 15 0.782 0.029 . . . 81 LEU H . 81 LEU N 17857 2 69 . 1 1 82 82 THR H H 1 . 1 1 82 82 THR N N 15 0.761 0.028 . . . 82 THR H . 82 THR N 17857 2 70 . 1 1 84 84 ALA H H 1 . 1 1 84 84 ALA N N 15 0.869 0.028 . . . 84 ALA H . 84 ALA N 17857 2 71 . 1 1 85 85 CYS H H 1 . 1 1 85 85 CYS N N 15 0.888 0.036 . . . 85 CYS H . 85 CYS N 17857 2 72 . 1 1 86 86 ASN H H 1 . 1 1 86 86 ASN N N 15 0.721 0.028 . . . 86 ASN H . 86 ASN N 17857 2 73 . 1 1 89 89 PHE H H 1 . 1 1 89 89 PHE N N 15 0.765 0.034 . . . 89 PHE H . 89 PHE N 17857 2 74 . 1 1 90 90 TRP H H 1 . 1 1 90 90 TRP N N 15 0.639 0.032 . . . 90 TRP H . 90 TRP N 17857 2 75 . 1 1 92 92 ASN H H 1 . 1 1 92 92 ASN N N 15 -0.145 0.049 . . . 92 ASN H . 92 ASN N 17857 2 76 . 1 1 93 93 SER H H 1 . 1 1 93 93 SER N N 15 -2.147 0.028 . . . 93 SER H . 93 SER N 17857 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 17857 _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 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 16 '2D 1H-15N heteronuclear NOE' . . . 17857 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 2 2 SER H H 1 . 1 1 2 2 SER N N 15 0.4894 0.0195 . . . 2 SER H . 2 SER N 17857 3 2 . 1 1 3 3 GLU H H 1 . 1 1 3 3 GLU N N 15 0.8400 0.0195 . . . 3 GLU H . 3 GLU N 17857 3 3 . 1 1 4 4 LEU H H 1 . 1 1 4 4 LEU N N 15 0.8146 0.0119 . . . 4 LEU H . 4 LEU N 17857 3 4 . 1 1 5 5 GLU H H 1 . 1 1 5 5 GLU N N 15 0.8262 0.0132 . . . 5 GLU H . 5 GLU N 17857 3 5 . 1 1 6 6 THR H H 1 . 1 1 6 6 THR N N 15 0.8478 0.0109 . . . 6 THR H . 6 THR N 17857 3 6 . 1 1 7 7 ALA H H 1 . 1 1 7 7 ALA N N 15 0.8375 9.5000e-3 . . . 7 ALA H . 7 ALA N 17857 3 7 . 1 1 8 8 MET H H 1 . 1 1 8 8 MET N N 15 0.8558 0.0103 . . . 8 MET H . 8 MET N 17857 3 8 . 1 1 10 10 THR H H 1 . 1 1 10 10 THR N N 15 0.8606 0.0120 . . . 10 THR H . 10 THR N 17857 3 9 . 1 1 12 12 ILE H H 1 . 1 1 12 12 ILE N N 15 0.8408 0.0113 . . . 12 ILE H . 12 ILE N 17857 3 10 . 1 1 14 14 VAL H H 1 . 1 1 14 14 VAL N N 15 0.8371 8.9000e-3 . . . 14 VAL H . 14 VAL N 17857 3 11 . 1 1 15 15 PHE H H 1 . 1 1 15 15 PHE N N 15 0.8426 0.0104 . . . 15 PHE H . 15 PHE N 17857 3 12 . 1 1 16 16 HIS H H 1 . 1 1 16 16 HIS N N 15 0.8624 0.0144 . . . 16 HIS H . 16 HIS N 17857 3 13 . 1 1 17 17 ALA H H 1 . 1 1 17 17 ALA N N 15 0.8693 8.5000e-3 . . . 17 ALA H . 17 ALA N 17857 3 14 . 1 1 18 18 HIS H H 1 . 1 1 18 18 HIS N N 15 0.8455 9.5000e-3 . . . 18 HIS H . 18 HIS N 17857 3 15 . 1 1 20 20 GLY H H 1 . 1 1 20 20 GLY N N 15 0.7903 9.1000e-3 . . . 20 GLY H . 20 GLY N 17857 3 16 . 1 1 21 21 LYS H H 1 . 1 1 21 21 LYS N N 15 0.7995 9.0000e-3 . . . 21 LYS H . 21 LYS N 17857 3 17 . 1 1 22 22 GLU H H 1 . 1 1 22 22 GLU N N 15 0.7012 0.0258 . . . 22 GLU H . 22 GLU N 17857 3 18 . 1 1 23 23 GLY H H 1 . 1 1 23 23 GLY N N 15 0.6688 0.0129 . . . 23 GLY H . 23 GLY N 17857 3 19 . 1 1 24 24 ASP H H 1 . 1 1 24 24 ASP N N 15 0.6856 8.4000e-3 . . . 24 ASP H . 24 ASP N 17857 3 20 . 1 1 25 25 LYS H H 1 . 1 1 25 25 LYS N N 15 0.7027 0.0150 . . . 25 LYS H . 25 LYS N 17857 3 21 . 1 1 26 26 TYR H H 1 . 1 1 26 26 TYR N N 15 0.8075 0.0109 . . . 26 TYR H . 26 TYR N 17857 3 22 . 1 1 27 27 LYS H H 1 . 1 1 27 27 LYS N N 15 0.8130 0.0114 . . . 27 LYS H . 27 LYS N 17857 3 23 . 1 1 29 29 SER H H 1 . 1 1 29 29 SER N N 15 0.7396 8.1000e-3 . . . 29 SER H . 29 SER N 17857 3 24 . 1 1 30 30 LYS H H 1 . 1 1 30 30 LYS N N 15 0.8206 0.0102 . . . 30 LYS H . 30 LYS N 17857 3 25 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.8290 7.3000e-3 . . . 31 LYS H . 31 LYS N 17857 1 26 . 1 1 32 32 GLN H H 1 . 1 1 32 32 GLN N N 15 0.8047 7.9000e-3 . . . 32 GLN H . 32 GLN N 17857 2 27 . 1 1 33 33 LEU H H 1 . 1 1 33 33 LEU N N 15 0.8263 9.4000e-3 . . . 33 LEU H . 33 LEU N 17857 3 28 . 1 1 34 34 LYS H H 1 . 1 1 34 34 LYS N N 15 0.8576 8.6000e-3 . . . 34 LYS H . 34 LYS N 17857 3 29 . 1 1 35 35 GLU H H 1 . 1 1 35 35 GLU N N 15 0.8010 8.8000e-3 . . . 35 GLU H . 35 GLU N 17857 3 30 . 1 1 36 36 LEU H H 1 . 1 1 36 36 LEU N N 15 0.8577 8.7000e-3 . . . 36 LEU H . 36 LEU N 17857 3 31 . 1 1 38 38 GLN H H 1 . 1 1 38 38 GLN N N 15 0.8498 9.3000e-3 . . . 38 GLN H . 38 GLN N 17857 3 32 . 1 1 39 39 THR H H 1 . 1 1 39 39 THR N N 15 0.8093 8.6000e-3 . . . 39 THR H . 39 THR N 17857 3 33 . 1 1 40 40 GLU H H 1 . 1 1 40 40 GLU N N 15 0.8191 0.0126 . . . 40 GLU H . 40 GLU N 17857 3 34 . 1 1 41 41 LEU H H 1 . 1 1 41 41 LEU N N 15 0.7965 0.0111 . . . 41 LEU H . 41 LEU N 17857 3 35 . 1 1 42 42 SER H H 1 . 1 1 42 42 SER N N 15 0.8117 9.4000e-3 . . . 42 SER H . 42 SER N 17857 3 36 . 1 1 43 43 GLY H H 1 . 1 1 43 43 GLY N N 15 0.8249 0.0130 . . . 43 GLY H . 43 GLY N 17857 3 37 . 1 1 44 44 PHE H H 1 . 1 1 44 44 PHE N N 15 0.8002 0.0116 . . . 44 PHE H . 44 PHE N 17857 3 38 . 1 1 45 45 LEU H H 1 . 1 1 45 45 LEU N N 15 0.8273 0.0108 . . . 45 LEU H . 45 LEU N 17857 3 39 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.7610 6.7000e-3 . . . 46 ASP H . 46 ASP N 17857 3 40 . 1 1 47 47 ALA H H 1 . 1 1 47 47 ALA N N 15 0.7587 7.3000e-3 . . . 47 ALA H . 47 ALA N 17857 3 41 . 1 1 48 48 GLN H H 1 . 1 1 48 48 GLN N N 15 0.7606 5.7000e-3 . . . 48 GLN H . 48 GLN N 17857 3 42 . 1 1 51 51 VAL H H 1 . 1 1 51 51 VAL N N 15 0.8024 7.2000e-3 . . . 51 VAL H . 51 VAL N 17857 3 43 . 1 1 52 52 ASP H H 1 . 1 1 52 52 ASP N N 15 0.8366 8.0000e-3 . . . 52 ASP H . 52 ASP N 17857 3 44 . 1 1 53 53 ALA H H 1 . 1 1 53 53 ALA N N 15 0.8271 7.0000e-3 . . . 53 ALA H . 53 ALA N 17857 3 45 . 1 1 54 54 VAL H H 1 . 1 1 54 54 VAL N N 15 0.8455 9.1000e-3 . . . 54 VAL H . 54 VAL N 17857 3 46 . 1 1 55 55 ASP H H 1 . 1 1 55 55 ASP N N 15 0.8436 7.6000e-3 . . . 55 ASP H . 55 ASP N 17857 3 47 . 1 1 56 56 LYS H H 1 . 1 1 56 56 LYS N N 15 0.8280 7.5000e-3 . . . 56 LYS H . 56 LYS N 17857 3 48 . 1 1 57 57 VAL H H 1 . 1 1 57 57 VAL N N 15 0.8564 8.3000e-3 . . . 57 VAL H . 57 VAL N 17857 3 49 . 1 1 58 58 MET H H 1 . 1 1 58 58 MET N N 15 0.8110 8.9000e-3 . . . 58 MET H . 58 MET N 17857 3 50 . 1 1 59 59 LYS H H 1 . 1 1 59 59 LYS N N 15 0.8179 7.5000e-3 . . . 59 LYS H . 59 LYS N 17857 3 51 . 1 1 60 60 GLU H H 1 . 1 1 60 60 GLU N N 15 0.7874 7.0000e-3 . . . 60 GLU H . 60 GLU N 17857 3 52 . 1 1 61 61 LEU H H 1 . 1 1 61 61 LEU N N 15 0.8336 9.1000e-3 . . . 61 LEU H . 61 LEU N 17857 3 53 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.7932 7.0000e-3 . . . 62 ASP H . 62 ASP N 17857 3 54 . 1 1 63 63 GLU H H 1 . 1 1 63 63 GLU N N 15 0.7353 7.6000e-3 . . . 63 GLU H . 63 GLU N 17857 3 55 . 1 1 64 64 ASN H H 1 . 1 1 64 64 ASN N N 15 0.7391 9.0000e-3 . . . 64 ASN H . 64 ASN N 17857 3 56 . 1 1 65 65 GLY H H 1 . 1 1 65 65 GLY N N 15 0.7143 7.7000e-3 . . . 65 GLY H . 65 GLY N 17857 3 57 . 1 1 66 66 ASP H H 1 . 1 1 66 66 ASP N N 15 0.7708 7.3000e-3 . . . 66 ASP H . 66 ASP N 17857 3 58 . 1 1 67 67 GLY H H 1 . 1 1 67 67 GLY N N 15 0.7399 6.9000e-3 . . . 67 GLY H . 67 GLY N 17857 3 59 . 1 1 68 68 GLU H H 1 . 1 1 68 68 GLU N N 15 0.7527 7.8000e-3 . . . 68 GLU H . 68 GLU N 17857 3 60 . 1 1 69 69 VAL H H 1 . 1 1 69 69 VAL N N 15 0.7501 0.0131 . . . 69 VAL H . 69 VAL N 17857 3 61 . 1 1 70 70 ASP H H 1 . 1 1 70 70 ASP N N 15 0.7887 0.0113 . . . 70 ASP H . 70 ASP N 17857 3 62 . 1 1 71 71 PHE H H 1 . 1 1 71 71 PHE N N 15 0.8535 0.0162 . . . 71 PHE H . 71 PHE N 17857 3 63 . 1 1 72 72 GLN H H 1 . 1 1 72 72 GLN N N 15 0.8301 8.8000e-3 . . . 72 GLN H . 72 GLN N 17857 3 64 . 1 1 73 73 GLU H H 1 . 1 1 73 73 GLU N N 15 0.8261 9.4000e-3 . . . 73 GLU H . 73 GLU N 17857 3 65 . 1 1 74 74 TYR H H 1 . 1 1 74 74 TYR N N 15 0.8438 0.0114 . . . 74 TYR H . 74 TYR N 17857 3 66 . 1 1 75 75 VAL H H 1 . 1 1 75 75 VAL N N 15 0.8411 9.5000e-3 . . . 75 VAL H . 75 VAL N 17857 3 67 . 1 1 78 78 VAL H H 1 . 1 1 78 78 VAL N N 15 0.8128 8.3000e-3 . . . 78 VAL H . 78 VAL N 17857 3 68 . 1 1 79 79 ALA H H 1 . 1 1 79 79 ALA N N 15 0.8868 9.1000e-3 . . . 79 ALA H . 79 ALA N 17857 3 69 . 1 1 81 81 LEU H H 1 . 1 1 81 81 LEU N N 15 0.8479 0.0123 . . . 81 LEU H . 81 LEU N 17857 3 70 . 1 1 82 82 THR H H 1 . 1 1 82 82 THR N N 15 0.8586 0.0118 . . . 82 THR H . 82 THR N 17857 3 71 . 1 1 84 84 ALA H H 1 . 1 1 84 84 ALA N N 15 0.8333 0.0116 . . . 84 ALA H . 84 ALA N 17857 3 72 . 1 1 85 85 CYS H H 1 . 1 1 85 85 CYS N N 15 0.8249 0.0103 . . . 85 CYS H . 85 CYS N 17857 3 73 . 1 1 86 86 ASN H H 1 . 1 1 86 86 ASN N N 15 0.8054 0.0127 . . . 86 ASN H . 86 ASN N 17857 3 74 . 1 1 89 89 PHE H H 1 . 1 1 89 89 PHE N N 15 0.8252 0.0118 . . . 89 PHE H . 89 PHE N 17857 3 75 . 1 1 90 90 TRP H H 1 . 1 1 90 90 TRP N N 15 0.6823 0.0160 . . . 90 TRP H . 90 TRP N 17857 3 76 . 1 1 92 92 ASN H H 1 . 1 1 92 92 ASN N N 15 0.1700 0.0103 . . . 92 ASN H . 92 ASN N 17857 3 77 . 1 1 93 93 SER H H 1 . 1 1 93 93 SER N N 15 -0.8301 3.6000e-3 . . . 93 SER H . 93 SER N 17857 3 stop_ save_