############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_1 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 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 MET N N 15 . 1 1 1 1 MET H H 1 0.405 0.033 . . . . . . . . . . 5569 1 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.679 0.04 . . . . . . . . . . 5569 1 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.731 0.042 . . . . . . . . . . 5569 1 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.832 0.061 . . . . . . . . . . 5569 1 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.806 0.071 . . . . . . . . . . 5569 1 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.774 0.04 . . . . . . . . . . 5569 1 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.767 0.045 . . . . . . . . . . 5569 1 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.757 0.039 . . . . . . . . . . 5569 1 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.747 0.06 . . . . . . . . . . 5569 1 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.636 0.044 . . . . . . . . . . 5569 1 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.636 0.042 . . . . . . . . . . 5569 1 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.59 0.041 . . . . . . . . . . 5569 1 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.696 0.042 . . . . . . . . . . 5569 1 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.66 0.038 . . . . . . . . . . 5569 1 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.724 0.045 . . . . . . . . . . 5569 1 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.765 0.041 . . . . . . . . . . 5569 1 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.76 0.074 . . . . . . . . . . 5569 1 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.776 0.055 . . . . . . . . . . 5569 1 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.717 0.069 . . . . . . . . . . 5569 1 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.72 0.065 . . . . . . . . . . 5569 1 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.731 0.051 . . . . . . . . . . 5569 1 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.767 0.062 . . . . . . . . . . 5569 1 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.777 0.062 . . . . . . . . . . 5569 1 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.807 0.065 . . . . . . . . . . 5569 1 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.788 0.054 . . . . . . . . . . 5569 1 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.803 0.055 . . . . . . . . . . 5569 1 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.765 0.064 . . . . . . . . . . 5569 1 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.813 0.073 . . . . . . . . . . 5569 1 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.838 0.083 . . . . . . . . . . 5569 1 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.779 0.063 . . . . . . . . . . 5569 1 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.786 0.074 . . . . . . . . . . 5569 1 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.821 0.076 . . . . . . . . . . 5569 1 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.771 0.06 . . . . . . . . . . 5569 1 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.799 0.058 . . . . . . . . . . 5569 1 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.772 0.046 . . . . . . . . . . 5569 1 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.767 0.06 . . . . . . . . . . 5569 1 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.759 0.062 . . . . . . . . . . 5569 1 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.81 0.052 . . . . . . . . . . 5569 1 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.789 0.071 . . . . . . . . . . 5569 1 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.676 0.066 . . . . . . . . . . 5569 1 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.482 0.027 . . . . . . . . . . 5569 1 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.807 0.071 . . . . . . . . . . 5569 1 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.755 0.043 . . . . . . . . . . 5569 1 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.799 0.05 . . . . . . . . . . 5569 1 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.785 0.04 . . . . . . . . . . 5569 1 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.772 0.069 . . . . . . . . . . 5569 1 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.79 0.077 . . . . . . . . . . 5569 1 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.712 0.036 . . . . . . . . . . 5569 1 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.718 0.062 . . . . . . . . . . 5569 1 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.756 0.056 . . . . . . . . . . 5569 1 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.782 0.046 . . . . . . . . . . 5569 1 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.783 0.04 . . . . . . . . . . 5569 1 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.755 0.067 . . . . . . . . . . 5569 1 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.777 0.049 . . . . . . . . . . 5569 1 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.747 0.038 . . . . . . . . . . 5569 1 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.731 0.046 . . . . . . . . . . 5569 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_2 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 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 MET N N 15 . 1 1 1 1 MET H H 1 0.401 0.04 . . . . . . . . . . 5569 2 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.705 0.054 . . . . . . . . . . 5569 2 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.723 0.07 . . . . . . . . . . 5569 2 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.681 0.037 . . . . . . . . . . 5569 2 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.787 0.047 . . . . . . . . . . 5569 2 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.792 0.074 . . . . . . . . . . 5569 2 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.661 0.05 . . . . . . . . . . 5569 2 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.786 0.075 . . . . . . . . . . 5569 2 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.701 0.067 . . . . . . . . . . 5569 2 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.646 0.056 . . . . . . . . . . 5569 2 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.633 0.035 . . . . . . . . . . 5569 2 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.556 0.052 . . . . . . . . . . 5569 2 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.667 0.064 . . . . . . . . . . 5569 2 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.728 0.044 . . . . . . . . . . 5569 2 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.697 0.035 . . . . . . . . . . 5569 2 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.694 0.057 . . . . . . . . . . 5569 2 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.727 0.043 . . . . . . . . . . 5569 2 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.712 0.055 . . . . . . . . . . 5569 2 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.728 0.069 . . . . . . . . . . 5569 2 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.742 0.044 . . . . . . . . . . 5569 2 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.653 0.063 . . . . . . . . . . 5569 2 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.728 0.048 . . . . . . . . . . 5569 2 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.799 0.065 . . . . . . . . . . 5569 2 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.755 0.062 . . . . . . . . . . 5569 2 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.711 0.058 . . . . . . . . . . 5569 2 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.704 0.047 . . . . . . . . . . 5569 2 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.779 0.05 . . . . . . . . . . 5569 2 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.715 0.052 . . . . . . . . . . 5569 2 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.748 0.04 . . . . . . . . . . 5569 2 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.775 0.063 . . . . . . . . . . 5569 2 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.73 0.045 . . . . . . . . . . 5569 2 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.76 0.05 . . . . . . . . . . 5569 2 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.729 0.044 . . . . . . . . . . 5569 2 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.776 0.058 . . . . . . . . . . 5569 2 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.726 0.041 . . . . . . . . . . 5569 2 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.771 0.043 . . . . . . . . . . 5569 2 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.705 0.046 . . . . . . . . . . 5569 2 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.721 0.055 . . . . . . . . . . 5569 2 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.767 0.069 . . . . . . . . . . 5569 2 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.609 0.032 . . . . . . . . . . 5569 2 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.426 0.039 . . . . . . . . . . 5569 2 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.755 0.055 . . . . . . . . . . 5569 2 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.677 0.046 . . . . . . . . . . 5569 2 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.716 0.055 . . . . . . . . . . 5569 2 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.688 0.052 . . . . . . . . . . 5569 2 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.717 0.051 . . . . . . . . . . 5569 2 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.737 0.043 . . . . . . . . . . 5569 2 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.642 0.04 . . . . . . . . . . 5569 2 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.73 0.05 . . . . . . . . . . 5569 2 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.68 0.056 . . . . . . . . . . 5569 2 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.746 0.07 . . . . . . . . . . 5569 2 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.689 0.039 . . . . . . . . . . 5569 2 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.714 0.058 . . . . . . . . . . 5569 2 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.728 0.062 . . . . . . . . . . 5569 2 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.664 0.043 . . . . . . . . . . 5569 2 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.69 0.046 . . . . . . . . . . 5569 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_3 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_3 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 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 1 1 MET N N 15 . 1 1 1 1 MET H H 1 0.445 0.024 . . . . . . . . . . 5569 3 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.688 0.06 . . . . . . . . . . 5569 3 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.696 0.037 . . . . . . . . . . 5569 3 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.733 0.066 . . . . . . . . . . 5569 3 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.69 0.067 . . . . . . . . . . 5569 3 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.753 0.051 . . . . . . . . . . 5569 3 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.649 0.059 . . . . . . . . . . 5569 3 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.713 0.041 . . . . . . . . . . 5569 3 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.674 0.056 . . . . . . . . . . 5569 3 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.611 0.058 . . . . . . . . . . 5569 3 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.607 0.05 . . . . . . . . . . 5569 3 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.489 0.048 . . . . . . . . . . 5569 3 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.604 0.056 . . . . . . . . . . 5569 3 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.732 0.066 . . . . . . . . . . 5569 3 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.73 0.063 . . . . . . . . . . 5569 3 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.672 0.046 . . . . . . . . . . 5569 3 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.718 0.053 . . . . . . . . . . 5569 3 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.693 0.061 . . . . . . . . . . 5569 3 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.728 0.06 . . . . . . . . . . 5569 3 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.7 0.057 . . . . . . . . . . 5569 3 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.632 0.052 . . . . . . . . . . 5569 3 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.699 0.061 . . . . . . . . . . 5569 3 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.818 0.047 . . . . . . . . . . 5569 3 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.795 0.055 . . . . . . . . . . 5569 3 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.72 0.063 . . . . . . . . . . 5569 3 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.721 0.071 . . . . . . . . . . 5569 3 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.761 0.048 . . . . . . . . . . 5569 3 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.723 0.052 . . . . . . . . . . 5569 3 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.764 0.054 . . . . . . . . . . 5569 3 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.756 0.071 . . . . . . . . . . 5569 3 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.796 0.05 . . . . . . . . . . 5569 3 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.681 0.064 . . . . . . . . . . 5569 3 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.716 0.057 . . . . . . . . . . 5569 3 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.773 0.046 . . . . . . . . . . 5569 3 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.699 0.057 . . . . . . . . . . 5569 3 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.762 0.04 . . . . . . . . . . 5569 3 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.706 0.048 . . . . . . . . . . 5569 3 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.723 0.067 . . . . . . . . . . 5569 3 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.729 0.042 . . . . . . . . . . 5569 3 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.566 0.043 . . . . . . . . . . 5569 3 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.389 0.023 . . . . . . . . . . 5569 3 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.719 0.039 . . . . . . . . . . 5569 3 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.645 0.061 . . . . . . . . . . 5569 3 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.73 0.041 . . . . . . . . . . 5569 3 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.679 0.055 . . . . . . . . . . 5569 3 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.695 0.046 . . . . . . . . . . 5569 3 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.742 0.039 . . . . . . . . . . 5569 3 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.599 0.058 . . . . . . . . . . 5569 3 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.685 0.056 . . . . . . . . . . 5569 3 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.737 0.047 . . . . . . . . . . 5569 3 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.735 0.044 . . . . . . . . . . 5569 3 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.692 0.045 . . . . . . . . . . 5569 3 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.728 0.05 . . . . . . . . . . 5569 3 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.741 0.072 . . . . . . . . . . 5569 3 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.684 0.037 . . . . . . . . . . 5569 3 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.623 0.055 . . . . . . . . . . 5569 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_4 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_4 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 4 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_4 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 4 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 MET N N 15 . 1 1 1 1 MET H H 1 0.402 0.025 . . . . . . . . . . 5569 4 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.623 0.049 . . . . . . . . . . 5569 4 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.656 0.037 . . . . . . . . . . 5569 4 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.661 0.063 . . . . . . . . . . 5569 4 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.672 0.06 . . . . . . . . . . 5569 4 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.663 0.063 . . . . . . . . . . 5569 4 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.663 0.035 . . . . . . . . . . 5569 4 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.631 0.056 . . . . . . . . . . 5569 4 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.658 0.039 . . . . . . . . . . 5569 4 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.507 0.037 . . . . . . . . . . 5569 4 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.566 0.039 . . . . . . . . . . 5569 4 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.447 0.024 . . . . . . . . . . 5569 4 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.561 0.036 . . . . . . . . . . 5569 4 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.622 0.045 . . . . . . . . . . 5569 4 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.668 0.05 . . . . . . . . . . 5569 4 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.646 0.05 . . . . . . . . . . 5569 4 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.674 0.036 . . . . . . . . . . 5569 4 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.643 0.037 . . . . . . . . . . 5569 4 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.689 0.036 . . . . . . . . . . 5569 4 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.707 0.041 . . . . . . . . . . 5569 4 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.574 0.054 . . . . . . . . . . 5569 4 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.681 0.041 . . . . . . . . . . 5569 4 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.748 0.038 . . . . . . . . . . 5569 4 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.738 0.042 . . . . . . . . . . 5569 4 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.728 0.047 . . . . . . . . . . 5569 4 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.632 0.047 . . . . . . . . . . 5569 4 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.749 0.058 . . . . . . . . . . 5569 4 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.667 0.033 . . . . . . . . . . 5569 4 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.739 0.04 . . . . . . . . . . 5569 4 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.709 0.039 . . . . . . . . . . 5569 4 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.757 0.041 . . . . . . . . . . 5569 4 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.674 0.049 . . . . . . . . . . 5569 4 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.668 0.042 . . . . . . . . . . 5569 4 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.774 0.055 . . . . . . . . . . 5569 4 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.69 0.044 . . . . . . . . . . 5569 4 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.691 0.052 . . . . . . . . . . 5569 4 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.664 0.04 . . . . . . . . . . 5569 4 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.625 0.032 . . . . . . . . . . 5569 4 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.664 0.035 . . . . . . . . . . 5569 4 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.52 0.037 . . . . . . . . . . 5569 4 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.313 0.022 . . . . . . . . . . 5569 4 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.612 0.056 . . . . . . . . . . 5569 4 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.604 0.049 . . . . . . . . . . 5569 4 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.631 0.051 . . . . . . . . . . 5569 4 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.582 0.049 . . . . . . . . . . 5569 4 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.617 0.059 . . . . . . . . . . 5569 4 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.627 0.043 . . . . . . . . . . 5569 4 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.603 0.058 . . . . . . . . . . 5569 4 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.618 0.033 . . . . . . . . . . 5569 4 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.621 0.051 . . . . . . . . . . 5569 4 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.672 0.034 . . . . . . . . . . 5569 4 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.646 0.04 . . . . . . . . . . 5569 4 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.694 0.067 . . . . . . . . . . 5569 4 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.614 0.05 . . . . . . . . . . 5569 4 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.669 0.049 . . . . . . . . . . 5569 4 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.569 0.053 . . . . . . . . . . 5569 4 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_5 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_5 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Sample_condition_list_ID 5 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_5 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 5 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 MET N N 15 . 1 1 1 1 MET H H 1 0.346 0.028 . . . . . . . . . . 5569 5 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.505 0.041 . . . . . . . . . . 5569 5 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.499 0.048 . . . . . . . . . . 5569 5 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.589 0.053 . . . . . . . . . . 5569 5 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.553 0.037 . . . . . . . . . . 5569 5 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.647 0.045 . . . . . . . . . . 5569 5 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.571 0.055 . . . . . . . . . . 5569 5 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.571 0.037 . . . . . . . . . . 5569 5 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.575 0.029 . . . . . . . . . . 5569 5 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.421 0.036 . . . . . . . . . . 5569 5 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.412 0.027 . . . . . . . . . . 5569 5 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.397 0.033 . . . . . . . . . . 5569 5 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.518 0.048 . . . . . . . . . . 5569 5 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.538 0.041 . . . . . . . . . . 5569 5 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.521 0.026 . . . . . . . . . . 5569 5 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.587 0.045 . . . . . . . . . . 5569 5 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.546 0.036 . . . . . . . . . . 5569 5 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.608 0.036 . . . . . . . . . . 5569 5 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.601 0.059 . . . . . . . . . . 5569 5 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.609 0.056 . . . . . . . . . . 5569 5 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.566 0.032 . . . . . . . . . . 5569 5 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.485 0.028 . . . . . . . . . . 5569 5 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.715 0.057 . . . . . . . . . . 5569 5 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.692 0.059 . . . . . . . . . . 5569 5 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.639 0.039 . . . . . . . . . . 5569 5 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.575 0.036 . . . . . . . . . . 5569 5 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.639 0.047 . . . . . . . . . . 5569 5 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.547 0.041 . . . . . . . . . . 5569 5 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.654 0.06 . . . . . . . . . . 5569 5 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.608 0.045 . . . . . . . . . . 5569 5 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.618 0.043 . . . . . . . . . . 5569 5 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.609 0.059 . . . . . . . . . . 5569 5 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.546 0.038 . . . . . . . . . . 5569 5 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.646 0.034 . . . . . . . . . . 5569 5 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.689 0.052 . . . . . . . . . . 5569 5 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.664 0.061 . . . . . . . . . . 5569 5 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.466 0.037 . . . . . . . . . . 5569 5 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.523 0.041 . . . . . . . . . . 5569 5 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.596 0.032 . . . . . . . . . . 5569 5 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.492 0.034 . . . . . . . . . . 5569 5 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.269 0.019 . . . . . . . . . . 5569 5 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.498 0.044 . . . . . . . . . . 5569 5 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.576 0.049 . . . . . . . . . . 5569 5 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.564 0.055 . . . . . . . . . . 5569 5 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.599 0.033 . . . . . . . . . . 5569 5 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.489 0.04 . . . . . . . . . . 5569 5 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.551 0.035 . . . . . . . . . . 5569 5 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.642 0.039 . . . . . . . . . . 5569 5 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.576 0.03 . . . . . . . . . . 5569 5 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.569 0.042 . . . . . . . . . . 5569 5 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.534 0.048 . . . . . . . . . . 5569 5 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.577 0.03 . . . . . . . . . . 5569 5 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.554 0.055 . . . . . . . . . . 5569 5 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.512 0.047 . . . . . . . . . . 5569 5 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.552 0.045 . . . . . . . . . . 5569 5 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.558 0.044 . . . . . . . . . . 5569 5 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_6 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 6 _Heteronucl_NOE_list.Sample_condition_list_ID 6 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_6 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 6 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 MET N N 15 . 1 1 1 1 MET H H 1 0.38 0.036 . . . . . . . . . . 5569 6 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.424 0.023 . . . . . . . . . . 5569 6 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.467 0.043 . . . . . . . . . . 5569 6 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.53 0.043 . . . . . . . . . . 5569 6 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.483 0.033 . . . . . . . . . . 5569 6 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.558 0.038 . . . . . . . . . . 5569 6 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.529 0.051 . . . . . . . . . . 5569 6 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.485 0.033 . . . . . . . . . . 5569 6 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.554 0.045 . . . . . . . . . . 5569 6 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.374 0.028 . . . . . . . . . . 5569 6 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.464 0.042 . . . . . . . . . . 5569 6 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.322 0.018 . . . . . . . . . . 5569 6 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.349 0.026 . . . . . . . . . . 5569 6 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.484 0.04 . . . . . . . . . . 5569 6 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.525 0.026 . . . . . . . . . . 5569 6 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.58 0.051 . . . . . . . . . . 5569 6 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.486 0.029 . . . . . . . . . . 5569 6 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.541 0.033 . . . . . . . . . . 5569 6 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.521 0.032 . . . . . . . . . . 5569 6 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.522 0.031 . . . . . . . . . . 5569 6 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.459 0.045 . . . . . . . . . . 5569 6 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.47 0.044 . . . . . . . . . . 5569 6 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.608 0.045 . . . . . . . . . . 5569 6 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.572 0.052 . . . . . . . . . . 5569 6 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.593 0.045 . . . . . . . . . . 5569 6 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.571 0.045 . . . . . . . . . . 5569 6 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.578 0.03 . . . . . . . . . . 5569 6 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.632 0.036 . . . . . . . . . . 5569 6 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.572 0.048 . . . . . . . . . . 5569 6 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.556 0.041 . . . . . . . . . . 5569 6 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.681 0.046 . . . . . . . . . . 5569 6 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.611 0.031 . . . . . . . . . . 5569 6 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.595 0.047 . . . . . . . . . . 5569 6 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.583 0.03 . . . . . . . . . . 5569 6 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.652 0.037 . . . . . . . . . . 5569 6 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.518 0.037 . . . . . . . . . . 5569 6 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.539 0.041 . . . . . . . . . . 5569 6 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.589 0.056 . . . . . . . . . . 5569 6 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.524 0.038 . . . . . . . . . . 5569 6 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.376 0.032 . . . . . . . . . . 5569 6 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.255 0.015 . . . . . . . . . . 5569 6 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.544 0.027 . . . . . . . . . . 5569 6 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.426 0.031 . . . . . . . . . . 5569 6 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.47 0.033 . . . . . . . . . . 5569 6 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.47 0.034 . . . . . . . . . . 5569 6 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.438 0.033 . . . . . . . . . . 5569 6 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.496 0.042 . . . . . . . . . . 5569 6 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.556 0.037 . . . . . . . . . . 5569 6 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.518 0.035 . . . . . . . . . . 5569 6 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.495 0.046 . . . . . . . . . . 5569 6 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.458 0.042 . . . . . . . . . . 5569 6 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.525 0.04 . . . . . . . . . . 5569 6 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.508 0.033 . . . . . . . . . . 5569 6 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.491 0.042 . . . . . . . . . . 5569 6 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.541 0.053 . . . . . . . . . . 5569 6 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.519 0.033 . . . . . . . . . . 5569 6 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_7 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_7 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 7 _Heteronucl_NOE_list.Sample_condition_list_ID 7 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_7 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 7 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 MET N N 15 . 1 1 1 1 MET H H 1 0.308 0.027 . . . . . . . . . . 5569 7 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.368 0.032 . . . . . . . . . . 5569 7 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.421 0.023 . . . . . . . . . . 5569 7 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.517 0.038 . . . . . . . . . . 5569 7 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.471 0.026 . . . . . . . . . . 5569 7 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.484 0.03 . . . . . . . . . . 5569 7 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.523 0.041 . . . . . . . . . . 5569 7 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.391 0.035 . . . . . . . . . . 5569 7 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.478 0.04 . . . . . . . . . . 5569 7 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.367 0.024 . . . . . . . . . . 5569 7 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.33 0.024 . . . . . . . . . . 5569 7 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.272 0.018 . . . . . . . . . . 5569 7 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.36 0.024 . . . . . . . . . . 5569 7 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.384 0.031 . . . . . . . . . . 5569 7 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.442 0.029 . . . . . . . . . . 5569 7 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.512 0.033 . . . . . . . . . . 5569 7 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.357 0.018 . . . . . . . . . . 5569 7 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.512 0.049 . . . . . . . . . . 5569 7 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.439 0.037 . . . . . . . . . . 5569 7 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.499 0.028 . . . . . . . . . . 5569 7 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.447 0.023 . . . . . . . . . . 5569 7 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.447 0.028 . . . . . . . . . . 5569 7 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.475 0.035 . . . . . . . . . . 5569 7 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.508 0.041 . . . . . . . . . . 5569 7 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.548 0.052 . . . . . . . . . . 5569 7 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.588 0.031 . . . . . . . . . . 5569 7 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.55 0.051 . . . . . . . . . . 5569 7 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.658 0.054 . . . . . . . . . . 5569 7 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.481 0.033 . . . . . . . . . . 5569 7 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.485 0.045 . . . . . . . . . . 5569 7 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.616 0.037 . . . . . . . . . . 5569 7 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.625 0.044 . . . . . . . . . . 5569 7 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.558 0.041 . . . . . . . . . . 5569 7 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.53 0.04 . . . . . . . . . . 5569 7 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.64 0.037 . . . . . . . . . . 5569 7 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.515 0.036 . . . . . . . . . . 5569 7 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.518 0.039 . . . . . . . . . . 5569 7 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.523 0.027 . . . . . . . . . . 5569 7 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.46 0.037 . . . . . . . . . . 5569 7 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.336 0.023 . . . . . . . . . . 5569 7 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.243 0.023 . . . . . . . . . . 5569 7 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.472 0.044 . . . . . . . . . . 5569 7 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.398 0.035 . . . . . . . . . . 5569 7 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.387 0.023 . . . . . . . . . . 5569 7 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.402 0.032 . . . . . . . . . . 5569 7 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.363 0.027 . . . . . . . . . . 5569 7 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.411 0.039 . . . . . . . . . . 5569 7 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.519 0.028 . . . . . . . . . . 5569 7 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.473 0.034 . . . . . . . . . . 5569 7 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.489 0.044 . . . . . . . . . . 5569 7 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.397 0.035 . . . . . . . . . . 5569 7 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.468 0.036 . . . . . . . . . . 5569 7 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.455 0.04 . . . . . . . . . . 5569 7 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.463 0.043 . . . . . . . . . . 5569 7 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.435 0.026 . . . . . . . . . . 5569 7 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.493 0.031 . . . . . . . . . . 5569 7 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_8 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_8 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 8 _Heteronucl_NOE_list.Sample_condition_list_ID 8 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_8 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 8 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 MET N N 15 . 1 1 1 1 MET H H 1 0.16 0.01 . . . . . . . . . . 5569 8 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.307 0.028 . . . . . . . . . . 5569 8 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.333 0.025 . . . . . . . . . . 5569 8 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.36 0.028 . . . . . . . . . . 5569 8 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.37 0.035 . . . . . . . . . . 5569 8 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.305 0.028 . . . . . . . . . . 5569 8 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.319 0.019 . . . . . . . . . . 5569 8 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.281 0.026 . . . . . . . . . . 5569 8 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.339 0.018 . . . . . . . . . . 5569 8 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.27 0.017 . . . . . . . . . . 5569 8 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.259 0.02 . . . . . . . . . . 5569 8 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.202 0.013 . . . . . . . . . . 5569 8 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.239 0.02 . . . . . . . . . . 5569 8 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.278 0.021 . . . . . . . . . . 5569 8 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.327 0.016 . . . . . . . . . . 5569 8 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.332 0.031 . . . . . . . . . . 5569 8 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.288 0.028 . . . . . . . . . . 5569 8 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.331 0.031 . . . . . . . . . . 5569 8 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.344 0.024 . . . . . . . . . . 5569 8 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.336 0.026 . . . . . . . . . . 5569 8 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.346 0.022 . . . . . . . . . . 5569 8 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.38 0.023 . . . . . . . . . . 5569 8 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.422 0.039 . . . . . . . . . . 5569 8 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.45 0.04 . . . . . . . . . . 5569 8 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.433 0.029 . . . . . . . . . . 5569 8 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.427 0.031 . . . . . . . . . . 5569 8 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.462 0.036 . . . . . . . . . . 5569 8 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.509 0.029 . . . . . . . . . . 5569 8 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.43 0.024 . . . . . . . . . . 5569 8 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.363 0.034 . . . . . . . . . . 5569 8 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.484 0.028 . . . . . . . . . . 5569 8 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.507 0.037 . . . . . . . . . . 5569 8 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.463 0.04 . . . . . . . . . . 5569 8 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.446 0.043 . . . . . . . . . . 5569 8 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.464 0.032 . . . . . . . . . . 5569 8 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.422 0.041 . . . . . . . . . . 5569 8 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.422 0.034 . . . . . . . . . . 5569 8 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.439 0.03 . . . . . . . . . . 5569 8 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.422 0.028 . . . . . . . . . . 5569 8 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.296 0.028 . . . . . . . . . . 5569 8 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.169 0.012 . . . . . . . . . . 5569 8 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.343 0.021 . . . . . . . . . . 5569 8 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.308 0.019 . . . . . . . . . . 5569 8 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.294 0.028 . . . . . . . . . . 5569 8 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.316 0.018 . . . . . . . . . . 5569 8 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.336 0.028 . . . . . . . . . . 5569 8 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.329 0.029 . . . . . . . . . . 5569 8 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.449 0.042 . . . . . . . . . . 5569 8 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.399 0.038 . . . . . . . . . . 5569 8 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.397 0.024 . . . . . . . . . . 5569 8 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.33 0.027 . . . . . . . . . . 5569 8 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.344 0.033 . . . . . . . . . . 5569 8 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.353 0.02 . . . . . . . . . . 5569 8 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.379 0.03 . . . . . . . . . . 5569 8 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.325 0.031 . . . . . . . . . . 5569 8 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.382 0.027 . . . . . . . . . . 5569 8 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_9 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_9 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 9 _Heteronucl_NOE_list.Sample_condition_list_ID 9 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_9 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 9 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 MET N N 15 . 1 1 1 1 MET H H 1 0.2 0.019 . . . . . . . . . . 5569 9 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.178 0.014 . . . . . . . . . . 5569 9 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.305 0.022 . . . . . . . . . . 5569 9 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.311 0.023 . . . . . . . . . . 5569 9 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.342 0.027 . . . . . . . . . . 5569 9 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.291 0.027 . . . . . . . . . . 5569 9 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.271 0.022 . . . . . . . . . . 5569 9 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.228 0.022 . . . . . . . . . . 5569 9 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.287 0.018 . . . . . . . . . . 5569 9 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.229 0.018 . . . . . . . . . . 5569 9 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.201 0.013 . . . . . . . . . . 5569 9 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.17 0.01 . . . . . . . . . . 5569 9 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.098 0.006 . . . . . . . . . . 5569 9 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.144 0.013 . . . . . . . . . . 5569 9 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.219 0.017 . . . . . . . . . . 5569 9 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.245 0.023 . . . . . . . . . . 5569 9 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.229 0.014 . . . . . . . . . . 5569 9 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.298 0.028 . . . . . . . . . . 5569 9 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.205 0.015 . . . . . . . . . . 5569 9 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.214 0.013 . . . . . . . . . . 5569 9 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.261 0.025 . . . . . . . . . . 5569 9 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.379 0.029 . . . . . . . . . . 5569 9 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.3 0.022 . . . . . . . . . . 5569 9 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.321 0.023 . . . . . . . . . . 5569 9 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.319 0.024 . . . . . . . . . . 5569 9 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.361 0.03 . . . . . . . . . . 5569 9 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.319 0.023 . . . . . . . . . . 5569 9 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.477 0.024 . . . . . . . . . . 5569 9 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.425 0.027 . . . . . . . . . . 5569 9 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.314 0.021 . . . . . . . . . . 5569 9 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.364 0.022 . . . . . . . . . . 5569 9 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.501 0.043 . . . . . . . . . . 5569 9 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.453 0.042 . . . . . . . . . . 5569 9 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.29 0.015 . . . . . . . . . . 5569 9 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.354 0.017 . . . . . . . . . . 5569 9 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.358 0.028 . . . . . . . . . . 5569 9 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.403 0.04 . . . . . . . . . . 5569 9 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.409 0.027 . . . . . . . . . . 5569 9 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.402 0.025 . . . . . . . . . . 5569 9 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.134 0.012 . . . . . . . . . . 5569 9 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.151 0.013 . . . . . . . . . . 5569 9 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.4 0.024 . . . . . . . . . . 5569 9 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.193 0.016 . . . . . . . . . . 5569 9 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.187 0.009 . . . . . . . . . . 5569 9 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.273 0.022 . . . . . . . . . . 5569 9 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.334 0.028 . . . . . . . . . . 5569 9 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.166 0.011 . . . . . . . . . . 5569 9 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.435 0.042 . . . . . . . . . . 5569 9 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.367 0.02 . . . . . . . . . . 5569 9 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.368 0.023 . . . . . . . . . . 5569 9 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.301 0.02 . . . . . . . . . . 5569 9 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.21 0.016 . . . . . . . . . . 5569 9 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.316 0.031 . . . . . . . . . . 5569 9 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.342 0.026 . . . . . . . . . . 5569 9 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.263 0.014 . . . . . . . . . . 5569 9 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.347 0.021 . . . . . . . . . . 5569 9 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_10 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_10 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 10 _Heteronucl_NOE_list.Sample_condition_list_ID 10 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_10 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 10 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 MET N N 15 . 1 1 1 1 MET H H 1 0.122 0.01 . . . . . . . . . . 5569 10 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.095 0.009 . . . . . . . . . . 5569 10 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.244 0.017 . . . . . . . . . . 5569 10 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.154 0.015 . . . . . . . . . . 5569 10 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.218 0.013 . . . . . . . . . . 5569 10 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.176 0.016 . . . . . . . . . . 5569 10 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.145 0.013 . . . . . . . . . . 5569 10 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.208 0.011 . . . . . . . . . . 5569 10 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.124 0.006 . . . . . . . . . . 5569 10 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.202 0.013 . . . . . . . . . . 5569 10 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.049 0.003 . . . . . . . . . . 5569 10 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.14 0.009 . . . . . . . . . . 5569 10 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.007 0 . . . . . . . . . . 5569 10 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.067 0.005 . . . . . . . . . . 5569 10 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.087 0.006 . . . . . . . . . . 5569 10 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.103 0.009 . . . . . . . . . . 5569 10 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.152 0.008 . . . . . . . . . . 5569 10 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.202 0.02 . . . . . . . . . . 5569 10 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.099 0.009 . . . . . . . . . . 5569 10 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.082 0.006 . . . . . . . . . . 5569 10 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.179 0.009 . . . . . . . . . . 5569 10 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.319 0.024 . . . . . . . . . . 5569 10 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.122 0.011 . . . . . . . . . . 5569 10 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.205 0.02 . . . . . . . . . . 5569 10 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.215 0.018 . . . . . . . . . . 5569 10 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.233 0.014 . . . . . . . . . . 5569 10 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.215 0.019 . . . . . . . . . . 5569 10 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.34 0.03 . . . . . . . . . . 5569 10 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.388 0.025 . . . . . . . . . . 5569 10 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.275 0.019 . . . . . . . . . . 5569 10 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.261 0.016 . . . . . . . . . . 5569 10 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.376 0.035 . . . . . . . . . . 5569 10 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.382 0.036 . . . . . . . . . . 5569 10 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.257 0.019 . . . . . . . . . . 5569 10 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.205 0.011 . . . . . . . . . . 5569 10 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.325 0.024 . . . . . . . . . . 5569 10 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.285 0.014 . . . . . . . . . . 5569 10 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.318 0.023 . . . . . . . . . . 5569 10 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.341 0.024 . . . . . . . . . . 5569 10 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.078 0.004 . . . . . . . . . . 5569 10 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.076 0.005 . . . . . . . . . . 5569 10 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.299 0.018 . . . . . . . . . . 5569 10 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.079 0.006 . . . . . . . . . . 5569 10 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.117 0.006 . . . . . . . . . . 5569 10 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.227 0.012 . . . . . . . . . . 5569 10 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.233 0.013 . . . . . . . . . . 5569 10 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.078 0.005 . . . . . . . . . . 5569 10 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.392 0.035 . . . . . . . . . . 5569 10 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.317 0.02 . . . . . . . . . . 5569 10 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.232 0.021 . . . . . . . . . . 5569 10 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.209 0.015 . . . . . . . . . . 5569 10 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.119 0.006 . . . . . . . . . . 5569 10 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.164 0.012 . . . . . . . . . . 5569 10 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.221 0.021 . . . . . . . . . . 5569 10 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.109 0.01 . . . . . . . . . . 5569 10 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.29 0.022 . . . . . . . . . . 5569 10 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_1 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 11 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 11 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 MET N N 15 . 1 1 1 1 MET H H 1 0.51 0.027 . . . . . . . . . . 5569 11 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.766 0.06 . . . . . . . . . . 5569 11 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.806 0.035 . . . . . . . . . . 5569 11 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.819 0.067 . . . . . . . . . . 5569 11 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.849 0.052 . . . . . . . . . . 5569 11 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.826 0.052 . . . . . . . . . . 5569 11 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.766 0.036 . . . . . . . . . . 5569 11 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.836 0.056 . . . . . . . . . . 5569 11 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.767 0.059 . . . . . . . . . . 5569 11 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.731 0.059 . . . . . . . . . . 5569 11 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.704 0.036 . . . . . . . . . . 5569 11 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.667 0.033 . . . . . . . . . . 5569 11 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.741 0.035 . . . . . . . . . . 5569 11 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.756 0.049 . . . . . . . . . . 5569 11 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.772 0.039 . . . . . . . . . . 5569 11 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.764 0.039 . . . . . . . . . . 5569 11 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.819 0.047 . . . . . . . . . . 5569 11 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.795 0.063 . . . . . . . . . . 5569 11 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.774 0.041 . . . . . . . . . . 5569 11 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.767 0.043 . . . . . . . . . . 5569 11 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.755 0.057 . . . . . . . . . . 5569 11 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.832 0.062 . . . . . . . . . . 5569 11 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.823 0.059 . . . . . . . . . . 5569 11 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.831 0.052 . . . . . . . . . . 5569 11 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.788 0.064 . . . . . . . . . . 5569 11 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.797 0.042 . . . . . . . . . . 5569 11 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.804 0.04 . . . . . . . . . . 5569 11 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.805 0.064 . . . . . . . . . . 5569 11 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.863 0.054 . . . . . . . . . . 5569 11 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.836 0.059 . . . . . . . . . . 5569 11 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.799 0.054 . . . . . . . . . . 5569 11 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.823 0.068 . . . . . . . . . . 5569 11 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.805 0.051 . . . . . . . . . . 5569 11 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.829 0.056 . . . . . . . . . . 5569 11 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.752 0.033 . . . . . . . . . . 5569 11 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.821 0.049 . . . . . . . . . . 5569 11 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.78 0.041 . . . . . . . . . . 5569 11 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.815 0.062 . . . . . . . . . . 5569 11 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.843 0.068 . . . . . . . . . . 5569 11 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.711 0.035 . . . . . . . . . . 5569 11 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.566 0.028 . . . . . . . . . . 5569 11 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.853 0.05 . . . . . . . . . . 5569 11 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.777 0.061 . . . . . . . . . . 5569 11 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.832 0.05 . . . . . . . . . . 5569 11 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.814 0.038 . . . . . . . . . . 5569 11 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.833 0.059 . . . . . . . . . . 5569 11 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.826 0.061 . . . . . . . . . . 5569 11 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.74 0.051 . . . . . . . . . . 5569 11 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.779 0.064 . . . . . . . . . . 5569 11 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.795 0.041 . . . . . . . . . . 5569 11 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.841 0.059 . . . . . . . . . . 5569 11 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.792 0.049 . . . . . . . . . . 5569 11 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.798 0.036 . . . . . . . . . . 5569 11 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.822 0.064 . . . . . . . . . . 5569 11 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.761 0.034 . . . . . . . . . . 5569 11 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.761 0.06 . . . . . . . . . . 5569 11 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_2 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 12 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 12 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 MET N N 15 . 1 1 1 1 MET H H 1 0.528 0.041 . . . . . . . . . . 5569 12 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.75 0.06 . . . . . . . . . . 5569 12 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.769 0.063 . . . . . . . . . . 5569 12 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.803 0.058 . . . . . . . . . . 5569 12 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.808 0.065 . . . . . . . . . . 5569 12 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.818 0.065 . . . . . . . . . . 5569 12 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.765 0.058 . . . . . . . . . . 5569 12 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.797 0.057 . . . . . . . . . . 5569 12 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.768 0.039 . . . . . . . . . . 5569 12 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.689 0.032 . . . . . . . . . . 5569 12 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.689 0.043 . . . . . . . . . . 5569 12 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.622 0.028 . . . . . . . . . . 5569 12 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.718 0.046 . . . . . . . . . . 5569 12 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.759 0.043 . . . . . . . . . . 5569 12 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.774 0.063 . . . . . . . . . . 5569 12 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.773 0.057 . . . . . . . . . . 5569 12 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.79 0.063 . . . . . . . . . . 5569 12 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.785 0.059 . . . . . . . . . . 5569 12 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.784 0.043 . . . . . . . . . . 5569 12 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.786 0.034 . . . . . . . . . . 5569 12 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.736 0.049 . . . . . . . . . . 5569 12 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.781 0.056 . . . . . . . . . . 5569 12 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.841 0.036 . . . . . . . . . . 5569 12 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.832 0.045 . . . . . . . . . . 5569 12 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.799 0.04 . . . . . . . . . . 5569 12 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.788 0.059 . . . . . . . . . . 5569 12 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.814 0.057 . . . . . . . . . . 5569 12 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.789 0.044 . . . . . . . . . . 5569 12 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.825 0.049 . . . . . . . . . . 5569 12 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.813 0.061 . . . . . . . . . . 5569 12 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.818 0.043 . . . . . . . . . . 5569 12 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.798 0.036 . . . . . . . . . . 5569 12 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.777 0.045 . . . . . . . . . . 5569 12 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.828 0.064 . . . . . . . . . . 5569 12 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.788 0.062 . . . . . . . . . . 5569 12 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.805 0.06 . . . . . . . . . . 5569 12 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.762 0.041 . . . . . . . . . . 5569 12 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.783 0.043 . . . . . . . . . . 5569 12 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.8 0.066 . . . . . . . . . . 5569 12 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.69 0.055 . . . . . . . . . . 5569 12 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.531 0.038 . . . . . . . . . . 5569 12 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.794 0.059 . . . . . . . . . . 5569 12 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.757 0.038 . . . . . . . . . . 5569 12 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.8 0.04 . . . . . . . . . . 5569 12 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.774 0.047 . . . . . . . . . . 5569 12 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.775 0.035 . . . . . . . . . . 5569 12 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.805 0.049 . . . . . . . . . . 5569 12 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.721 0.047 . . . . . . . . . . 5569 12 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.758 0.048 . . . . . . . . . . 5569 12 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.774 0.044 . . . . . . . . . . 5569 12 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.801 0.064 . . . . . . . . . . 5569 12 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.784 0.042 . . . . . . . . . . 5569 12 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.783 0.04 . . . . . . . . . . 5569 12 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.784 0.062 . . . . . . . . . . 5569 12 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.761 0.063 . . . . . . . . . . 5569 12 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.739 0.056 . . . . . . . . . . 5569 12 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_3 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 13 _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_3 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 13 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 MET N N 15 . 1 1 1 1 MET H H 1 0.476 0.034 . . . . . . . . . . 5569 13 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.722 0.044 . . . . . . . . . . 5569 13 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.731 0.053 . . . . . . . . . . 5569 13 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.776 0.035 . . . . . . . . . . 5569 13 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.764 0.042 . . . . . . . . . . 5569 13 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.792 0.056 . . . . . . . . . . 5569 13 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.749 0.054 . . . . . . . . . . 5569 13 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.754 0.056 . . . . . . . . . . 5569 13 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.754 0.053 . . . . . . . . . . 5569 13 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.648 0.041 . . . . . . . . . . 5569 13 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.672 0.054 . . . . . . . . . . 5569 13 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.55 0.032 . . . . . . . . . . 5569 13 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.688 0.052 . . . . . . . . . . 5569 13 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.743 0.049 . . . . . . . . . . 5569 13 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.759 0.05 . . . . . . . . . . 5569 13 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.762 0.051 . . . . . . . . . . 5569 13 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.752 0.033 . . . . . . . . . . 5569 13 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.762 0.055 . . . . . . . . . . 5569 13 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.772 0.035 . . . . . . . . . . 5569 13 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.78 0.048 . . . . . . . . . . 5569 13 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.711 0.029 . . . . . . . . . . 5569 13 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.735 0.035 . . . . . . . . . . 5569 13 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.833 0.04 . . . . . . . . . . 5569 13 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.816 0.043 . . . . . . . . . . 5569 13 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.792 0.047 . . . . . . . . . . 5569 13 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.766 0.037 . . . . . . . . . . 5569 13 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.803 0.057 . . . . . . . . . . 5569 13 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.768 0.045 . . . . . . . . . . 5569 13 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.785 0.046 . . . . . . . . . . 5569 13 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.782 0.046 . . . . . . . . . . 5569 13 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.818 0.066 . . . . . . . . . . 5569 13 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.768 0.055 . . . . . . . . . . 5569 13 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.751 0.04 . . . . . . . . . . 5569 13 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.81 0.06 . . . . . . . . . . 5569 13 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.796 0.044 . . . . . . . . . . 5569 13 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.778 0.039 . . . . . . . . . . 5569 13 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.729 0.048 . . . . . . . . . . 5569 13 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.747 0.044 . . . . . . . . . . 5569 13 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.761 0.048 . . . . . . . . . . 5569 13 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.66 0.03 . . . . . . . . . . 5569 13 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.493 0.024 . . . . . . . . . . 5569 13 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.742 0.051 . . . . . . . . . . 5569 13 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.728 0.045 . . . . . . . . . . 5569 13 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.76 0.059 . . . . . . . . . . 5569 13 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.732 0.032 . . . . . . . . . . 5569 13 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.721 0.035 . . . . . . . . . . 5569 13 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.773 0.045 . . . . . . . . . . 5569 13 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.714 0.039 . . . . . . . . . . 5569 13 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.731 0.049 . . . . . . . . . . 5569 13 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.749 0.057 . . . . . . . . . . 5569 13 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.757 0.054 . . . . . . . . . . 5569 13 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.762 0.046 . . . . . . . . . . 5569 13 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.759 0.043 . . . . . . . . . . 5569 13 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.745 0.054 . . . . . . . . . . 5569 13 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.745 0.035 . . . . . . . . . . 5569 13 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.713 0.045 . . . . . . . . . . 5569 13 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_4 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_4 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 14 _Heteronucl_NOE_list.Sample_condition_list_ID 4 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_4 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 14 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 MET N N 15 . 1 1 1 1 MET H H 1 0.482 0.021 . . . . . . . . . . 5569 14 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.685 0.054 . . . . . . . . . . 5569 14 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.691 0.05 . . . . . . . . . . 5569 14 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.741 0.057 . . . . . . . . . . 5569 14 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.72 0.057 . . . . . . . . . . 5569 14 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.757 0.062 . . . . . . . . . . 5569 14 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.721 0.052 . . . . . . . . . . 5569 14 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.708 0.033 . . . . . . . . . . 5569 14 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.726 0.059 . . . . . . . . . . 5569 14 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.585 0.026 . . . . . . . . . . 5569 14 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.647 0.039 . . . . . . . . . . 5569 14 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.503 0.041 . . . . . . . . . . 5569 14 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.648 0.048 . . . . . . . . . . 5569 14 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.705 0.053 . . . . . . . . . . 5569 14 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.723 0.049 . . . . . . . . . . 5569 14 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.736 0.034 . . . . . . . . . . 5569 14 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.711 0.038 . . . . . . . . . . 5569 14 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.732 0.036 . . . . . . . . . . 5569 14 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.745 0.037 . . . . . . . . . . 5569 14 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.756 0.053 . . . . . . . . . . 5569 14 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.679 0.043 . . . . . . . . . . 5569 14 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.694 0.036 . . . . . . . . . . 5569 14 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.809 0.048 . . . . . . . . . . 5569 14 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.785 0.062 . . . . . . . . . . 5569 14 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.772 0.059 . . . . . . . . . . 5569 14 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.74 0.046 . . . . . . . . . . 5569 14 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.778 0.057 . . . . . . . . . . 5569 14 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.746 0.042 . . . . . . . . . . 5569 14 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.75 0.057 . . . . . . . . . . 5569 14 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.745 0.049 . . . . . . . . . . 5569 14 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.8 0.063 . . . . . . . . . . 5569 14 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.743 0.054 . . . . . . . . . . 5569 14 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.723 0.041 . . . . . . . . . . 5569 14 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.779 0.044 . . . . . . . . . . 5569 14 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.785 0.061 . . . . . . . . . . 5569 14 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.748 0.037 . . . . . . . . . . 5569 14 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.7 0.045 . . . . . . . . . . 5569 14 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.713 0.03 . . . . . . . . . . 5569 14 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.719 0.055 . . . . . . . . . . 5569 14 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.593 0.048 . . . . . . . . . . 5569 14 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.462 0.033 . . . . . . . . . . 5569 14 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.696 0.057 . . . . . . . . . . 5569 14 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.691 0.038 . . . . . . . . . . 5569 14 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.714 0.046 . . . . . . . . . . 5569 14 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.687 0.041 . . . . . . . . . . 5569 14 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.675 0.053 . . . . . . . . . . 5569 14 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.729 0.031 . . . . . . . . . . 5569 14 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.69 0.05 . . . . . . . . . . 5569 14 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.701 0.047 . . . . . . . . . . 5569 14 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.72 0.05 . . . . . . . . . . 5569 14 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.715 0.057 . . . . . . . . . . 5569 14 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.727 0.05 . . . . . . . . . . 5569 14 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.726 0.039 . . . . . . . . . . 5569 14 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.705 0.044 . . . . . . . . . . 5569 14 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.717 0.037 . . . . . . . . . . 5569 14 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.686 0.042 . . . . . . . . . . 5569 14 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_5 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_5 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 15 _Heteronucl_NOE_list.Sample_condition_list_ID 5 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_5 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 15 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 MET N N 15 . 1 1 1 1 MET H H 1 0.47 0.036 . . . . . . . . . . 5569 15 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.639 0.037 . . . . . . . . . . 5569 15 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.645 0.03 . . . . . . . . . . 5569 15 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.698 0.031 . . . . . . . . . . 5569 15 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.672 0.049 . . . . . . . . . . 5569 15 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.712 0.039 . . . . . . . . . . 5569 15 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.682 0.052 . . . . . . . . . . 5569 15 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.656 0.028 . . . . . . . . . . 5569 15 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.685 0.031 . . . . . . . . . . 5569 15 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.563 0.023 . . . . . . . . . . 5569 15 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.581 0.039 . . . . . . . . . . 5569 15 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.473 0.032 . . . . . . . . . . 5569 15 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.598 0.031 . . . . . . . . . . 5569 15 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.651 0.037 . . . . . . . . . . 5569 15 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.673 0.028 . . . . . . . . . . 5569 15 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.698 0.03 . . . . . . . . . . 5569 15 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.658 0.05 . . . . . . . . . . 5569 15 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.692 0.046 . . . . . . . . . . 5569 15 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.702 0.051 . . . . . . . . . . 5569 15 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.715 0.044 . . . . . . . . . . 5569 15 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.642 0.045 . . . . . . . . . . 5569 15 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.653 0.031 . . . . . . . . . . 5569 15 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.768 0.058 . . . . . . . . . . 5569 15 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.743 0.048 . . . . . . . . . . 5569 15 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.735 0.031 . . . . . . . . . . 5569 15 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.707 0.05 . . . . . . . . . . 5569 15 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.74 0.045 . . . . . . . . . . 5569 15 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.717 0.032 . . . . . . . . . . 5569 15 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.707 0.034 . . . . . . . . . . 5569 15 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.702 0.035 . . . . . . . . . . 5569 15 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.768 0.039 . . . . . . . . . . 5569 15 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.714 0.033 . . . . . . . . . . 5569 15 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.693 0.05 . . . . . . . . . . 5569 15 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.74 0.058 . . . . . . . . . . 5569 15 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.756 0.058 . . . . . . . . . . 5569 15 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.711 0.03 . . . . . . . . . . 5569 15 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.665 0.045 . . . . . . . . . . 5569 15 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.678 0.031 . . . . . . . . . . 5569 15 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.671 0.037 . . . . . . . . . . 5569 15 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.536 0.028 . . . . . . . . . . 5569 15 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.428 0.017 . . . . . . . . . . 5569 15 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.651 0.044 . . . . . . . . . . 5569 15 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.643 0.051 . . . . . . . . . . 5569 15 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.649 0.048 . . . . . . . . . . 5569 15 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.621 0.03 . . . . . . . . . . 5569 15 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.622 0.035 . . . . . . . . . . 5569 15 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.676 0.032 . . . . . . . . . . 5569 15 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.679 0.044 . . . . . . . . . . 5569 15 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.66 0.05 . . . . . . . . . . 5569 15 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.683 0.043 . . . . . . . . . . 5569 15 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.667 0.047 . . . . . . . . . . 5569 15 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.685 0.055 . . . . . . . . . . 5569 15 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.684 0.052 . . . . . . . . . . 5569 15 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.663 0.041 . . . . . . . . . . 5569 15 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.678 0.046 . . . . . . . . . . 5569 15 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.654 0.039 . . . . . . . . . . 5569 15 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_6 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 16 _Heteronucl_NOE_list.Sample_condition_list_ID 6 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_6 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 16 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 MET N N 15 . 1 1 1 1 MET H H 1 0.448 0.037 . . . . . . . . . . 5569 16 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.585 0.029 . . . . . . . . . . 5569 16 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.593 0.033 . . . . . . . . . . 5569 16 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.643 0.041 . . . . . . . . . . 5569 16 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.625 0.028 . . . . . . . . . . 5569 16 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.647 0.043 . . . . . . . . . . 5569 16 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.633 0.039 . . . . . . . . . . 5569 16 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.601 0.048 . . . . . . . . . . 5569 16 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.638 0.044 . . . . . . . . . . 5569 16 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.515 0.028 . . . . . . . . . . 5569 16 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.528 0.023 . . . . . . . . . . 5569 16 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.465 0.021 . . . . . . . . . . 5569 16 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.541 0.023 . . . . . . . . . . 5569 16 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.595 0.045 . . . . . . . . . . 5569 16 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.605 0.037 . . . . . . . . . . 5569 16 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.647 0.045 . . . . . . . . . . 5569 16 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.59 0.048 . . . . . . . . . . 5569 16 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.646 0.05 . . . . . . . . . . 5569 16 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.622 0.04 . . . . . . . . . . 5569 16 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.659 0.039 . . . . . . . . . . 5569 16 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.597 0.031 . . . . . . . . . . 5569 16 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.617 0.036 . . . . . . . . . . 5569 16 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.711 0.041 . . . . . . . . . . 5569 16 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.689 0.044 . . . . . . . . . . 5569 16 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.686 0.032 . . . . . . . . . . 5569 16 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.667 0.046 . . . . . . . . . . 5569 16 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.692 0.034 . . . . . . . . . . 5569 16 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.684 0.037 . . . . . . . . . . 5569 16 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.66 0.027 . . . . . . . . . . 5569 16 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.655 0.029 . . . . . . . . . . 5569 16 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.724 0.046 . . . . . . . . . . 5569 16 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.685 0.037 . . . . . . . . . . 5569 16 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.666 0.042 . . . . . . . . . . 5569 16 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.69 0.041 . . . . . . . . . . 5569 16 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.714 0.035 . . . . . . . . . . 5569 16 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.67 0.041 . . . . . . . . . . 5569 16 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.629 0.041 . . . . . . . . . . 5569 16 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.646 0.044 . . . . . . . . . . 5569 16 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.625 0.03 . . . . . . . . . . 5569 16 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.488 0.037 . . . . . . . . . . 5569 16 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.394 0.022 . . . . . . . . . . 5569 16 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.61 0.05 . . . . . . . . . . 5569 16 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.555 0.042 . . . . . . . . . . 5569 16 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.589 0.042 . . . . . . . . . . 5569 16 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.58 0.03 . . . . . . . . . . 5569 16 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.586 0.045 . . . . . . . . . . 5569 16 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.611 0.041 . . . . . . . . . . 5569 16 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.662 0.049 . . . . . . . . . . 5569 16 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.627 0.05 . . . . . . . . . . 5569 16 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.646 0.028 . . . . . . . . . . 5569 16 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.617 0.036 . . . . . . . . . . 5569 16 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.628 0.049 . . . . . . . . . . 5569 16 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.636 0.034 . . . . . . . . . . 5569 16 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.618 0.039 . . . . . . . . . . 5569 16 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.614 0.029 . . . . . . . . . . 5569 16 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.599 0.026 . . . . . . . . . . 5569 16 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_7 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_7 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 17 _Heteronucl_NOE_list.Sample_condition_list_ID 7 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_7 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 17 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 MET N N 15 . 1 1 1 1 MET H H 1 0.398 0.019 . . . . . . . . . . 5569 17 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.52 0.022 . . . . . . . . . . 5569 17 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.546 0.029 . . . . . . . . . . 5569 17 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.578 0.027 . . . . . . . . . . 5569 17 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.572 0.032 . . . . . . . . . . 5569 17 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.567 0.027 . . . . . . . . . . 5569 17 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.574 0.031 . . . . . . . . . . 5569 17 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.542 0.033 . . . . . . . . . . 5569 17 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.578 0.026 . . . . . . . . . . 5569 17 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.495 0.037 . . . . . . . . . . 5569 17 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.488 0.023 . . . . . . . . . . 5569 17 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.447 0.028 . . . . . . . . . . 5569 17 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.478 0.02 . . . . . . . . . . 5569 17 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.486 0.025 . . . . . . . . . . 5569 17 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.53 0.036 . . . . . . . . . . 5569 17 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.583 0.037 . . . . . . . . . . 5569 17 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.537 0.024 . . . . . . . . . . 5569 17 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.59 0.049 . . . . . . . . . . 5569 17 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.556 0.042 . . . . . . . . . . 5569 17 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.579 0.028 . . . . . . . . . . 5569 17 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.522 0.032 . . . . . . . . . . 5569 17 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.585 0.043 . . . . . . . . . . 5569 17 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.635 0.028 . . . . . . . . . . 5569 17 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.621 0.034 . . . . . . . . . . 5569 17 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.634 0.043 . . . . . . . . . . 5569 17 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.614 0.04 . . . . . . . . . . 5569 17 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.633 0.049 . . . . . . . . . . 5569 17 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.644 0.03 . . . . . . . . . . 5569 17 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.617 0.032 . . . . . . . . . . 5569 17 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.602 0.043 . . . . . . . . . . 5569 17 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.668 0.029 . . . . . . . . . . 5569 17 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.647 0.052 . . . . . . . . . . 5569 17 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.636 0.034 . . . . . . . . . . 5569 17 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.629 0.043 . . . . . . . . . . 5569 17 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.656 0.047 . . . . . . . . . . 5569 17 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.625 0.037 . . . . . . . . . . 5569 17 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.578 0.046 . . . . . . . . . . 5569 17 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.606 0.028 . . . . . . . . . . 5569 17 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.586 0.028 . . . . . . . . . . 5569 17 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.433 0.025 . . . . . . . . . . 5569 17 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.316 0.021 . . . . . . . . . . 5569 17 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.562 0.027 . . . . . . . . . . 5569 17 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.504 0.041 . . . . . . . . . . 5569 17 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.53 0.023 . . . . . . . . . . 5569 17 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.543 0.022 . . . . . . . . . . 5569 17 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.545 0.023 . . . . . . . . . . 5569 17 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.546 0.044 . . . . . . . . . . 5569 17 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.64 0.047 . . . . . . . . . . 5569 17 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.595 0.026 . . . . . . . . . . 5569 17 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.605 0.03 . . . . . . . . . . 5569 17 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.57 0.027 . . . . . . . . . . 5569 17 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.567 0.026 . . . . . . . . . . 5569 17 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.578 0.047 . . . . . . . . . . 5569 17 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.561 0.034 . . . . . . . . . . 5569 17 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.557 0.044 . . . . . . . . . . 5569 17 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.564 0.024 . . . . . . . . . . 5569 17 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_8 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_8 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 18 _Heteronucl_NOE_list.Sample_condition_list_ID 8 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_8 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 18 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 MET N N 15 . 1 1 1 1 MET H H 1 0.351 0.017 . . . . . . . . . . 5569 18 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.408 0.018 . . . . . . . . . . 5569 18 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.478 0.025 . . . . . . . . . . 5569 18 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.503 0.028 . . . . . . . . . . 5569 18 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.503 0.023 . . . . . . . . . . 5569 18 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.504 0.039 . . . . . . . . . . 5569 18 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.507 0.026 . . . . . . . . . . 5569 18 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.482 0.023 . . . . . . . . . . 5569 18 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.505 0.025 . . . . . . . . . . 5569 18 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.447 0.02 . . . . . . . . . . 5569 18 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.44 0.023 . . . . . . . . . . 5569 18 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.438 0.023 . . . . . . . . . . 5569 18 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.355 0.025 . . . . . . . . . . 5569 18 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.396 0.032 . . . . . . . . . . 5569 18 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.447 0.03 . . . . . . . . . . 5569 18 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.505 0.022 . . . . . . . . . . 5569 18 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.483 0.022 . . . . . . . . . . 5569 18 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.522 0.022 . . . . . . . . . . 5569 18 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.484 0.039 . . . . . . . . . . 5569 18 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.475 0.022 . . . . . . . . . . 5569 18 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.473 0.021 . . . . . . . . . . 5569 18 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.542 0.024 . . . . . . . . . . 5569 18 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.543 0.024 . . . . . . . . . . 5569 18 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.553 0.034 . . . . . . . . . . 5569 18 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.569 0.038 . . . . . . . . . . 5569 18 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.564 0.028 . . . . . . . . . . 5569 18 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.563 0.025 . . . . . . . . . . 5569 18 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.603 0.03 . . . . . . . . . . 5569 18 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.578 0.047 . . . . . . . . . . 5569 18 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.539 0.037 . . . . . . . . . . 5569 18 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.599 0.034 . . . . . . . . . . 5569 18 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.611 0.044 . . . . . . . . . . 5569 18 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.608 0.039 . . . . . . . . . . 5569 18 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.552 0.045 . . . . . . . . . . 5569 18 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.588 0.036 . . . . . . . . . . 5569 18 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.576 0.042 . . . . . . . . . . 5569 18 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.55 0.026 . . . . . . . . . . 5569 18 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.553 0.044 . . . . . . . . . . 5569 18 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.562 0.029 . . . . . . . . . . 5569 18 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.357 0.017 . . . . . . . . . . 5569 18 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.272 0.019 . . . . . . . . . . 5569 18 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.512 0.033 . . . . . . . . . . 5569 18 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.467 0.036 . . . . . . . . . . 5569 18 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.46 0.021 . . . . . . . . . . 5569 18 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.519 0.03 . . . . . . . . . . 5569 18 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.481 0.023 . . . . . . . . . . 5569 18 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.47 0.031 . . . . . . . . . . 5569 18 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.615 0.051 . . . . . . . . . . 5569 18 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.552 0.041 . . . . . . . . . . 5569 18 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.562 0.029 . . . . . . . . . . 5569 18 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.507 0.022 . . . . . . . . . . 5569 18 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.49 0.03 . . . . . . . . . . 5569 18 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.518 0.033 . . . . . . . . . . 5569 18 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.502 0.034 . . . . . . . . . . 5569 18 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.491 0.022 . . . . . . . . . . 5569 18 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.526 0.033 . . . . . . . . . . 5569 18 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_9 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_9 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 19 _Heteronucl_NOE_list.Sample_condition_list_ID 9 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_9 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 19 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 MET N N 15 . 1 1 1 1 MET H H 1 0.338 0.02 . . . . . . . . . . 5569 19 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.32 0.025 . . . . . . . . . . 5569 19 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.423 0.031 . . . . . . . . . . 5569 19 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.45 0.02 . . . . . . . . . . 5569 19 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.448 0.021 . . . . . . . . . . 5569 19 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.422 0.021 . . . . . . . . . . 5569 19 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.431 0.026 . . . . . . . . . . 5569 19 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.414 0.021 . . . . . . . . . . 5569 19 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.423 0.019 . . . . . . . . . . 5569 19 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.387 0.028 . . . . . . . . . . 5569 19 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.366 0.029 . . . . . . . . . . 5569 19 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.396 0.021 . . . . . . . . . . 5569 19 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.256 0.013 . . . . . . . . . . 5569 19 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.291 0.012 . . . . . . . . . . 5569 19 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.346 0.016 . . . . . . . . . . 5569 19 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.395 0.017 . . . . . . . . . . 5569 19 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.424 0.033 . . . . . . . . . . 5569 19 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.451 0.036 . . . . . . . . . . 5569 19 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.417 0.027 . . . . . . . . . . 5569 19 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.381 0.022 . . . . . . . . . . 5569 19 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.421 0.027 . . . . . . . . . . 5569 19 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.489 0.031 . . . . . . . . . . 5569 19 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.43 0.033 . . . . . . . . . . 5569 19 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.471 0.029 . . . . . . . . . . 5569 19 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.493 0.04 . . . . . . . . . . 5569 19 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.503 0.022 . . . . . . . . . . 5569 19 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.474 0.037 . . . . . . . . . . 5569 19 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.57 0.044 . . . . . . . . . . 5569 19 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.536 0.024 . . . . . . . . . . 5569 19 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.473 0.022 . . . . . . . . . . 5569 19 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.515 0.037 . . . . . . . . . . 5569 19 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.585 0.027 . . . . . . . . . . 5569 19 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.58 0.029 . . . . . . . . . . 5569 19 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.483 0.031 . . . . . . . . . . 5569 19 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.504 0.037 . . . . . . . . . . 5569 19 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.52 0.026 . . . . . . . . . . 5569 19 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.513 0.04 . . . . . . . . . . 5569 19 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.529 0.03 . . . . . . . . . . 5569 19 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.529 0.038 . . . . . . . . . . 5569 19 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.302 0.017 . . . . . . . . . . 5569 19 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.225 0.016 . . . . . . . . . . 5569 19 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.479 0.039 . . . . . . . . . . 5569 19 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.39 0.022 . . . . . . . . . . 5569 19 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.38 0.016 . . . . . . . . . . 5569 19 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.469 0.038 . . . . . . . . . . 5569 19 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.444 0.034 . . . . . . . . . . 5569 19 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.385 0.03 . . . . . . . . . . 5569 19 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.588 0.045 . . . . . . . . . . 5569 19 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.536 0.037 . . . . . . . . . . 5569 19 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.515 0.04 . . . . . . . . . . 5569 19 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.453 0.031 . . . . . . . . . . 5569 19 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.405 0.03 . . . . . . . . . . 5569 19 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.441 0.025 . . . . . . . . . . 5569 19 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.453 0.02 . . . . . . . . . . 5569 19 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.411 0.021 . . . . . . . . . . 5569 19 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.506 0.023 . . . . . . . . . . 5569 19 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_10 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_10 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 20 _Heteronucl_NOE_list.Sample_condition_list_ID 10 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_10 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 20 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 MET N N 15 . 1 1 1 1 MET H H 1 0.324 0.016 . . . . . . . . . . 5569 20 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.231 0.016 . . . . . . . . . . 5569 20 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.357 0.016 . . . . . . . . . . 5569 20 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.369 0.021 . . . . . . . . . . 5569 20 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.369 0.015 . . . . . . . . . . 5569 20 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.349 0.019 . . . . . . . . . . 5569 20 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.355 0.026 . . . . . . . . . . 5569 20 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.341 0.014 . . . . . . . . . . 5569 20 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.309 0.019 . . . . . . . . . . 5569 20 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.359 0.021 . . . . . . . . . . 5569 20 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.291 0.016 . . . . . . . . . . 5569 20 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.374 0.029 . . . . . . . . . . 5569 20 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.159 0.011 . . . . . . . . . . 5569 20 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.193 0.009 . . . . . . . . . . 5569 20 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.276 0.012 . . . . . . . . . . 5569 20 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.283 0.014 . . . . . . . . . . 5569 20 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.354 0.015 . . . . . . . . . . 5569 20 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.38 0.027 . . . . . . . . . . 5569 20 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.336 0.018 . . . . . . . . . . 5569 20 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.262 0.016 . . . . . . . . . . 5569 20 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.365 0.028 . . . . . . . . . . 5569 20 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.444 0.035 . . . . . . . . . . 5569 20 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.315 0.021 . . . . . . . . . . 5569 20 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.359 0.022 . . . . . . . . . . 5569 20 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.405 0.033 . . . . . . . . . . 5569 20 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.433 0.026 . . . . . . . . . . 5569 20 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.383 0.017 . . . . . . . . . . 5569 20 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.53 0.024 . . . . . . . . . . 5569 20 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.499 0.03 . . . . . . . . . . 5569 20 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.409 0.024 . . . . . . . . . . 5569 20 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.434 0.031 . . . . . . . . . . 5569 20 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.561 0.037 . . . . . . . . . . 5569 20 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.547 0.037 . . . . . . . . . . 5569 20 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.408 0.021 . . . . . . . . . . 5569 20 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.389 0.016 . . . . . . . . . . 5569 20 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.453 0.026 . . . . . . . . . . 5569 20 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.461 0.037 . . . . . . . . . . 5569 20 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.495 0.031 . . . . . . . . . . 5569 20 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.479 0.031 . . . . . . . . . . 5569 20 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.227 0.012 . . . . . . . . . . 5569 20 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.22 0.011 . . . . . . . . . . 5569 20 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.452 0.02 . . . . . . . . . . 5569 20 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.307 0.017 . . . . . . . . . . 5569 20 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.307 0.016 . . . . . . . . . . 5569 20 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.424 0.028 . . . . . . . . . . 5569 20 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.439 0.036 . . . . . . . . . . 5569 20 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.299 0.019 . . . . . . . . . . 5569 20 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.54 0.032 . . . . . . . . . . 5569 20 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.492 0.024 . . . . . . . . . . 5569 20 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.472 0.031 . . . . . . . . . . 5569 20 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.387 0.024 . . . . . . . . . . 5569 20 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.317 0.018 . . . . . . . . . . 5569 20 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.377 0.026 . . . . . . . . . . 5569 20 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.4 0.025 . . . . . . . . . . 5569 20 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.327 0.025 . . . . . . . . . . 5569 20 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.449 0.032 . . . . . . . . . . 5569 20 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_800_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_800_1 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 21 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 21 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 MET N N 15 . 1 1 1 1 MET H H 1 0.663 0.025 . . . . . . . . . . 5569 21 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.841 0.032 . . . . . . . . . . 5569 21 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.863 0.035 . . . . . . . . . . 5569 21 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.87 0.029 . . . . . . . . . . 5569 21 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.891 0.037 . . . . . . . . . . 5569 21 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.871 0.046 . . . . . . . . . . 5569 21 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.832 0.027 . . . . . . . . . . 5569 21 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.883 0.027 . . . . . . . . . . 5569 21 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.829 0.037 . . . . . . . . . . 5569 21 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.814 0.027 . . . . . . . . . . 5569 21 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.791 0.044 . . . . . . . . . . 5569 21 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.758 0.03 . . . . . . . . . . 5569 21 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.807 0.039 . . . . . . . . . . 5569 21 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.831 0.034 . . . . . . . . . . 5569 21 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.841 0.04 . . . . . . . . . . 5569 21 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.822 0.051 . . . . . . . . . . 5569 21 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.872 0.046 . . . . . . . . . . 5569 21 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.85 0.039 . . . . . . . . . . 5569 21 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.838 0.035 . . . . . . . . . . 5569 21 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.834 0.029 . . . . . . . . . . 5569 21 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.825 0.05 . . . . . . . . . . 5569 21 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.882 0.044 . . . . . . . . . . 5569 21 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.874 0.034 . . . . . . . . . . 5569 21 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.879 0.048 . . . . . . . . . . 5569 21 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.832 0.033 . . . . . . . . . . 5569 21 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.846 0.045 . . . . . . . . . . 5569 21 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.854 0.033 . . . . . . . . . . 5569 21 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.851 0.049 . . . . . . . . . . 5569 21 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.896 0.048 . . . . . . . . . . 5569 21 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.882 0.051 . . . . . . . . . . 5569 21 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.858 0.038 . . . . . . . . . . 5569 21 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.864 0.041 . . . . . . . . . . 5569 21 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.854 0.036 . . . . . . . . . . 5569 21 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.87 0.028 . . . . . . . . . . 5569 21 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.806 0.045 . . . . . . . . . . 5569 21 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.864 0.047 . . . . . . . . . . 5569 21 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.813 0.031 . . . . . . . . . . 5569 21 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.848 0.034 . . . . . . . . . . 5569 21 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.884 0.038 . . . . . . . . . . 5569 21 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.792 0.038 . . . . . . . . . . 5569 21 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.697 0.028 . . . . . . . . . . 5569 21 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.895 0.047 . . . . . . . . . . 5569 21 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.84 0.031 . . . . . . . . . . 5569 21 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.882 0.028 . . . . . . . . . . 5569 21 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.868 0.043 . . . . . . . . . . 5569 21 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.881 0.033 . . . . . . . . . . 5569 21 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.879 0.035 . . . . . . . . . . 5569 21 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.821 0.029 . . . . . . . . . . 5569 21 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.832 0.032 . . . . . . . . . . 5569 21 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.853 0.051 . . . . . . . . . . 5569 21 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.885 0.047 . . . . . . . . . . 5569 21 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.853 0.051 . . . . . . . . . . 5569 21 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.852 0.031 . . . . . . . . . . 5569 21 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.87 0.049 . . . . . . . . . . 5569 21 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.823 0.037 . . . . . . . . . . 5569 21 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.822 0.037 . . . . . . . . . . 5569 21 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_800_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_800_2 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 22 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 22 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 MET N N 15 . 1 1 1 1 MET H H 1 0.663 0.036 . . . . . . . . . . 5569 22 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.841 0.052 . . . . . . . . . . 5569 22 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.863 0.053 . . . . . . . . . . 5569 22 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.87 0.049 . . . . . . . . . . 5569 22 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.891 0.031 . . . . . . . . . . 5569 22 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.871 0.034 . . . . . . . . . . 5569 22 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.832 0.027 . . . . . . . . . . 5569 22 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.883 0.033 . . . . . . . . . . 5569 22 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.829 0.046 . . . . . . . . . . 5569 22 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.814 0.046 . . . . . . . . . . 5569 22 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.791 0.04 . . . . . . . . . . 5569 22 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.758 0.035 . . . . . . . . . . 5569 22 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.807 0.027 . . . . . . . . . . 5569 22 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.831 0.05 . . . . . . . . . . 5569 22 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.841 0.051 . . . . . . . . . . 5569 22 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.822 0.025 . . . . . . . . . . 5569 22 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.872 0.034 . . . . . . . . . . 5569 22 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.85 0.049 . . . . . . . . . . 5569 22 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.838 0.034 . . . . . . . . . . 5569 22 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.834 0.051 . . . . . . . . . . 5569 22 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.825 0.041 . . . . . . . . . . 5569 22 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.882 0.053 . . . . . . . . . . 5569 22 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.874 0.053 . . . . . . . . . . 5569 22 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.879 0.046 . . . . . . . . . . 5569 22 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.832 0.036 . . . . . . . . . . 5569 22 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.846 0.036 . . . . . . . . . . 5569 22 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.854 0.032 . . . . . . . . . . 5569 22 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.851 0.038 . . . . . . . . . . 5569 22 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.896 0.054 . . . . . . . . . . 5569 22 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.882 0.041 . . . . . . . . . . 5569 22 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.858 0.036 . . . . . . . . . . 5569 22 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.864 0.041 . . . . . . . . . . 5569 22 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.854 0.039 . . . . . . . . . . 5569 22 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.87 0.043 . . . . . . . . . . 5569 22 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.806 0.041 . . . . . . . . . . 5569 22 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.864 0.032 . . . . . . . . . . 5569 22 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.813 0.033 . . . . . . . . . . 5569 22 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.848 0.051 . . . . . . . . . . 5569 22 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.884 0.037 . . . . . . . . . . 5569 22 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.792 0.043 . . . . . . . . . . 5569 22 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.697 0.037 . . . . . . . . . . 5569 22 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.895 0.05 . . . . . . . . . . 5569 22 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.84 0.046 . . . . . . . . . . 5569 22 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.882 0.04 . . . . . . . . . . 5569 22 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.868 0.027 . . . . . . . . . . 5569 22 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.881 0.039 . . . . . . . . . . 5569 22 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.879 0.033 . . . . . . . . . . 5569 22 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.821 0.041 . . . . . . . . . . 5569 22 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.832 0.037 . . . . . . . . . . 5569 22 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.853 0.031 . . . . . . . . . . 5569 22 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.885 0.053 . . . . . . . . . . 5569 22 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.853 0.04 . . . . . . . . . . 5569 22 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.852 0.033 . . . . . . . . . . 5569 22 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.87 0.035 . . . . . . . . . . 5569 22 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.823 0.03 . . . . . . . . . . 5569 22 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.822 0.036 . . . . . . . . . . 5569 22 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_800_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_800_3 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 23 _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_3 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 23 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 MET N N 15 . 1 1 1 1 MET H H 1 0.68 0.028 . . . . . . . . . . 5569 23 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.832 0.03 . . . . . . . . . . 5569 23 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.843 0.027 . . . . . . . . . . 5569 23 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.865 0.03 . . . . . . . . . . 5569 23 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.866 0.032 . . . . . . . . . . 5569 23 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.872 0.028 . . . . . . . . . . 5569 23 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.838 0.05 . . . . . . . . . . 5569 23 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.861 0.031 . . . . . . . . . . 5569 23 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.836 0.039 . . . . . . . . . . 5569 23 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.788 0.046 . . . . . . . . . . 5569 23 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.776 0.037 . . . . . . . . . . 5569 23 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.723 0.042 . . . . . . . . . . 5569 23 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.798 0.045 . . . . . . . . . . 5569 23 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.838 0.03 . . . . . . . . . . 5569 23 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.848 0.036 . . . . . . . . . . 5569 23 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.837 0.049 . . . . . . . . . . 5569 23 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.856 0.042 . . . . . . . . . . 5569 23 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.85 0.039 . . . . . . . . . . 5569 23 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.852 0.053 . . . . . . . . . . 5569 23 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.854 0.043 . . . . . . . . . . 5569 23 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.818 0.036 . . . . . . . . . . 5569 23 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.852 0.035 . . . . . . . . . . 5569 23 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.89 0.052 . . . . . . . . . . 5569 23 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.883 0.046 . . . . . . . . . . 5569 23 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.857 0.047 . . . . . . . . . . 5569 23 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.851 0.032 . . . . . . . . . . 5569 23 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.866 0.044 . . . . . . . . . . 5569 23 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.847 0.042 . . . . . . . . . . 5569 23 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.872 0.034 . . . . . . . . . . 5569 23 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.869 0.047 . . . . . . . . . . 5569 23 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.875 0.047 . . . . . . . . . . 5569 23 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.852 0.049 . . . . . . . . . . 5569 23 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.839 0.035 . . . . . . . . . . 5569 23 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.876 0.038 . . . . . . . . . . 5569 23 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.845 0.045 . . . . . . . . . . 5569 23 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.859 0.027 . . . . . . . . . . 5569 23 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.823 0.041 . . . . . . . . . . 5569 23 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.839 0.044 . . . . . . . . . . 5569 23 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.858 0.029 . . . . . . . . . . 5569 23 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.785 0.039 . . . . . . . . . . 5569 23 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.679 0.032 . . . . . . . . . . 5569 23 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.856 0.032 . . . . . . . . . . 5569 23 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.832 0.038 . . . . . . . . . . 5569 23 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.865 0.031 . . . . . . . . . . 5569 23 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.845 0.045 . . . . . . . . . . 5569 23 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.845 0.038 . . . . . . . . . . 5569 23 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.869 0.035 . . . . . . . . . . 5569 23 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.794 0.03 . . . . . . . . . . 5569 23 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.826 0.041 . . . . . . . . . . 5569 23 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.844 0.051 . . . . . . . . . . 5569 23 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.863 0.031 . . . . . . . . . . 5569 23 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.852 0.034 . . . . . . . . . . 5569 23 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.846 0.047 . . . . . . . . . . 5569 23 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.848 0.032 . . . . . . . . . . 5569 23 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.831 0.041 . . . . . . . . . . 5569 23 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.818 0.049 . . . . . . . . . . 5569 23 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_800_4 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_800_4 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 24 _Heteronucl_NOE_list.Sample_condition_list_ID 4 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_4 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 24 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 MET N N 15 . 1 1 1 1 MET H H 1 0.68 0.037 . . . . . . . . . . 5569 24 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.832 0.048 . . . . . . . . . . 5569 24 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.843 0.037 . . . . . . . . . . 5569 24 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.865 0.042 . . . . . . . . . . 5569 24 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.866 0.028 . . . . . . . . . . 5569 24 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.872 0.047 . . . . . . . . . . 5569 24 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.838 0.031 . . . . . . . . . . 5569 24 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.861 0.029 . . . . . . . . . . 5569 24 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.836 0.045 . . . . . . . . . . 5569 24 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.788 0.039 . . . . . . . . . . 5569 24 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.776 0.043 . . . . . . . . . . 5569 24 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.723 0.033 . . . . . . . . . . 5569 24 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.798 0.041 . . . . . . . . . . 5569 24 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.838 0.032 . . . . . . . . . . 5569 24 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.848 0.052 . . . . . . . . . . 5569 24 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.837 0.041 . . . . . . . . . . 5569 24 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.856 0.041 . . . . . . . . . . 5569 24 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.85 0.039 . . . . . . . . . . 5569 24 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.852 0.041 . . . . . . . . . . 5569 24 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.854 0.03 . . . . . . . . . . 5569 24 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.818 0.032 . . . . . . . . . . 5569 24 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.852 0.028 . . . . . . . . . . 5569 24 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.89 0.036 . . . . . . . . . . 5569 24 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.883 0.053 . . . . . . . . . . 5569 24 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.857 0.041 . . . . . . . . . . 5569 24 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.851 0.047 . . . . . . . . . . 5569 24 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.866 0.027 . . . . . . . . . . 5569 24 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.847 0.046 . . . . . . . . . . 5569 24 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.872 0.031 . . . . . . . . . . 5569 24 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.869 0.038 . . . . . . . . . . 5569 24 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.875 0.04 . . . . . . . . . . 5569 24 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.852 0.037 . . . . . . . . . . 5569 24 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.839 0.049 . . . . . . . . . . 5569 24 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.876 0.047 . . . . . . . . . . 5569 24 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.845 0.038 . . . . . . . . . . 5569 24 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.859 0.043 . . . . . . . . . . 5569 24 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.823 0.039 . . . . . . . . . . 5569 24 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.839 0.04 . . . . . . . . . . 5569 24 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.858 0.046 . . . . . . . . . . 5569 24 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.785 0.029 . . . . . . . . . . 5569 24 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.679 0.039 . . . . . . . . . . 5569 24 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.856 0.043 . . . . . . . . . . 5569 24 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.832 0.027 . . . . . . . . . . 5569 24 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.865 0.052 . . . . . . . . . . 5569 24 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.845 0.044 . . . . . . . . . . 5569 24 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.845 0.045 . . . . . . . . . . 5569 24 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.869 0.034 . . . . . . . . . . 5569 24 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.794 0.04 . . . . . . . . . . 5569 24 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.826 0.044 . . . . . . . . . . 5569 24 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.844 0.043 . . . . . . . . . . 5569 24 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.863 0.03 . . . . . . . . . . 5569 24 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.852 0.027 . . . . . . . . . . 5569 24 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.846 0.048 . . . . . . . . . . 5569 24 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.848 0.031 . . . . . . . . . . 5569 24 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.831 0.036 . . . . . . . . . . 5569 24 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.818 0.048 . . . . . . . . . . 5569 24 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_800_5 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_800_5 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 25 _Heteronucl_NOE_list.Sample_condition_list_ID 5 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_5 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 25 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 MET N N 15 . 1 1 1 1 MET H H 1 0.56 0.027 . . . . . . . . . . 5569 25 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.818 0.045 . . . . . . . . . . 5569 25 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.821 0.045 . . . . . . . . . . 5569 25 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.851 0.043 . . . . . . . . . . 5569 25 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.84 0.029 . . . . . . . . . . 5569 25 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.86 0.036 . . . . . . . . . . 5569 25 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.832 0.027 . . . . . . . . . . 5569 25 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.836 0.035 . . . . . . . . . . 5569 25 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.83 0.029 . . . . . . . . . . 5569 25 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.764 0.035 . . . . . . . . . . 5569 25 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.773 0.031 . . . . . . . . . . 5569 25 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.627 0.033 . . . . . . . . . . 5569 25 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.784 0.04 . . . . . . . . . . 5569 25 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.828 0.033 . . . . . . . . . . 5569 25 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.842 0.041 . . . . . . . . . . 5569 25 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.836 0.044 . . . . . . . . . . 5569 25 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.831 0.043 . . . . . . . . . . 5569 25 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.839 0.045 . . . . . . . . . . 5569 25 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.847 0.049 . . . . . . . . . . 5569 25 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.855 0.036 . . . . . . . . . . 5569 25 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.805 0.031 . . . . . . . . . . 5569 25 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.825 0.047 . . . . . . . . . . 5569 25 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.886 0.033 . . . . . . . . . . 5569 25 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.873 0.046 . . . . . . . . . . 5569 25 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.858 0.037 . . . . . . . . . . 5569 25 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.839 0.044 . . . . . . . . . . 5569 25 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.862 0.045 . . . . . . . . . . 5569 25 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.836 0.046 . . . . . . . . . . 5569 25 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.846 0.03 . . . . . . . . . . 5569 25 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.851 0.033 . . . . . . . . . . 5569 25 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.876 0.034 . . . . . . . . . . 5569 25 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.831 0.042 . . . . . . . . . . 5569 25 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.827 0.04 . . . . . . . . . . 5569 25 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.867 0.043 . . . . . . . . . . 5569 25 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.857 0.026 . . . . . . . . . . 5569 25 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.845 0.033 . . . . . . . . . . 5569 25 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.807 0.042 . . . . . . . . . . 5569 25 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.822 0.046 . . . . . . . . . . 5569 25 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.838 0.05 . . . . . . . . . . 5569 25 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.768 0.041 . . . . . . . . . . 5569 25 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.658 0.03 . . . . . . . . . . 5569 25 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.823 0.046 . . . . . . . . . . 5569 25 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.817 0.028 . . . . . . . . . . 5569 25 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.842 0.027 . . . . . . . . . . 5569 25 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.822 0.051 . . . . . . . . . . 5569 25 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.812 0.042 . . . . . . . . . . 5569 25 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.853 0.04 . . . . . . . . . . 5569 25 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.802 0.031 . . . . . . . . . . 5569 25 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.814 0.033 . . . . . . . . . . 5569 25 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.833 0.038 . . . . . . . . . . 5569 25 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.839 0.032 . . . . . . . . . . 5569 25 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.841 0.035 . . . . . . . . . . 5569 25 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.835 0.036 . . . . . . . . . . 5569 25 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.827 0.03 . . . . . . . . . . 5569 25 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.826 0.031 . . . . . . . . . . 5569 25 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.805 0.035 . . . . . . . . . . 5569 25 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_800_6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_800_6 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 26 _Heteronucl_NOE_list.Sample_condition_list_ID 6 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_6 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 26 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 MET N N 15 . 1 1 1 1 MET H H 1 0.56 0.032 . . . . . . . . . . 5569 26 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.818 0.037 . . . . . . . . . . 5569 26 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.821 0.037 . . . . . . . . . . 5569 26 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.851 0.027 . . . . . . . . . . 5569 26 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.84 0.033 . . . . . . . . . . 5569 26 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.86 0.045 . . . . . . . . . . 5569 26 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.832 0.043 . . . . . . . . . . 5569 26 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.836 0.051 . . . . . . . . . . 5569 26 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.83 0.033 . . . . . . . . . . 5569 26 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.764 0.04 . . . . . . . . . . 5569 26 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.773 0.026 . . . . . . . . . . 5569 26 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.627 0.036 . . . . . . . . . . 5569 26 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.784 0.03 . . . . . . . . . . 5569 26 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.828 0.046 . . . . . . . . . . 5569 26 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.842 0.028 . . . . . . . . . . 5569 26 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.836 0.026 . . . . . . . . . . 5569 26 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.831 0.034 . . . . . . . . . . 5569 26 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.839 0.033 . . . . . . . . . . 5569 26 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.847 0.05 . . . . . . . . . . 5569 26 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.855 0.044 . . . . . . . . . . 5569 26 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.805 0.048 . . . . . . . . . . 5569 26 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.825 0.036 . . . . . . . . . . 5569 26 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.886 0.05 . . . . . . . . . . 5569 26 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.873 0.03 . . . . . . . . . . 5569 26 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.858 0.032 . . . . . . . . . . 5569 26 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.839 0.039 . . . . . . . . . . 5569 26 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.862 0.029 . . . . . . . . . . 5569 26 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.836 0.042 . . . . . . . . . . 5569 26 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.846 0.041 . . . . . . . . . . 5569 26 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.851 0.047 . . . . . . . . . . 5569 26 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.876 0.028 . . . . . . . . . . 5569 26 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.831 0.038 . . . . . . . . . . 5569 26 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.827 0.03 . . . . . . . . . . 5569 26 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.867 0.042 . . . . . . . . . . 5569 26 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.857 0.051 . . . . . . . . . . 5569 26 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.845 0.026 . . . . . . . . . . 5569 26 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.807 0.035 . . . . . . . . . . 5569 26 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.822 0.029 . . . . . . . . . . 5569 26 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.838 0.027 . . . . . . . . . . 5569 26 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.768 0.034 . . . . . . . . . . 5569 26 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.658 0.03 . . . . . . . . . . 5569 26 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.823 0.045 . . . . . . . . . . 5569 26 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.817 0.042 . . . . . . . . . . 5569 26 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.842 0.028 . . . . . . . . . . 5569 26 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.822 0.044 . . . . . . . . . . 5569 26 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.812 0.043 . . . . . . . . . . 5569 26 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.853 0.029 . . . . . . . . . . 5569 26 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.802 0.03 . . . . . . . . . . 5569 26 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.814 0.035 . . . . . . . . . . 5569 26 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.833 0.034 . . . . . . . . . . 5569 26 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.839 0.041 . . . . . . . . . . 5569 26 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.841 0.028 . . . . . . . . . . 5569 26 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.835 0.046 . . . . . . . . . . 5569 26 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.827 0.047 . . . . . . . . . . 5569 26 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.826 0.036 . . . . . . . . . . 5569 26 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.805 0.025 . . . . . . . . . . 5569 26 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_800_7 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_800_7 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 27 _Heteronucl_NOE_list.Sample_condition_list_ID 7 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_7 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 27 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 MET N N 15 . 1 1 1 1 MET H H 1 0.586 0.022 . . . . . . . . . . 5569 27 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.796 0.047 . . . . . . . . . . 5569 27 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.798 0.048 . . . . . . . . . . 5569 27 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.831 0.032 . . . . . . . . . . 5569 27 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.815 0.047 . . . . . . . . . . 5569 27 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.84 0.031 . . . . . . . . . . 5569 27 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.818 0.044 . . . . . . . . . . 5569 27 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.809 0.038 . . . . . . . . . . 5569 27 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.817 0.039 . . . . . . . . . . 5569 27 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.691 0.028 . . . . . . . . . . 5569 27 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.773 0.033 . . . . . . . . . . 5569 27 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.589 0.034 . . . . . . . . . . 5569 27 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.765 0.042 . . . . . . . . . . 5569 27 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.801 0.043 . . . . . . . . . . 5569 27 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.812 0.034 . . . . . . . . . . 5569 27 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.824 0.045 . . . . . . . . . . 5569 27 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.811 0.028 . . . . . . . . . . 5569 27 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.825 0.026 . . . . . . . . . . 5569 27 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.835 0.031 . . . . . . . . . . 5569 27 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.843 0.048 . . . . . . . . . . 5569 27 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.788 0.026 . . . . . . . . . . 5569 27 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.801 0.042 . . . . . . . . . . 5569 27 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.874 0.039 . . . . . . . . . . 5569 27 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.853 0.04 . . . . . . . . . . 5569 27 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.85 0.032 . . . . . . . . . . 5569 27 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.83 0.034 . . . . . . . . . . 5569 27 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.849 0.042 . . . . . . . . . . 5569 27 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.824 0.036 . . . . . . . . . . 5569 27 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.826 0.027 . . . . . . . . . . 5569 27 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.827 0.035 . . . . . . . . . . 5569 27 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.867 0.033 . . . . . . . . . . 5569 27 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.823 0.026 . . . . . . . . . . 5569 27 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.812 0.028 . . . . . . . . . . 5569 27 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.849 0.037 . . . . . . . . . . 5569 27 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.853 0.049 . . . . . . . . . . 5569 27 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.831 0.049 . . . . . . . . . . 5569 27 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.796 0.048 . . . . . . . . . . 5569 27 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.804 0.049 . . . . . . . . . . 5569 27 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.808 0.025 . . . . . . . . . . 5569 27 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.676 0.032 . . . . . . . . . . 5569 27 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.637 0.02 . . . . . . . . . . 5569 27 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.796 0.039 . . . . . . . . . . 5569 27 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.795 0.03 . . . . . . . . . . 5569 27 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.816 0.037 . . . . . . . . . . 5569 27 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.793 0.048 . . . . . . . . . . 5569 27 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.786 0.043 . . . . . . . . . . 5569 27 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.826 0.025 . . . . . . . . . . 5569 27 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.779 0.031 . . . . . . . . . . 5569 27 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.796 0.031 . . . . . . . . . . 5569 27 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.819 0.027 . . . . . . . . . . 5569 27 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.819 0.048 . . . . . . . . . . 5569 27 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.821 0.037 . . . . . . . . . . 5569 27 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.816 0.036 . . . . . . . . . . 5569 27 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.806 0.025 . . . . . . . . . . 5569 27 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.812 0.037 . . . . . . . . . . 5569 27 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.792 0.038 . . . . . . . . . . 5569 27 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_800_8 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_800_8 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 28 _Heteronucl_NOE_list.Sample_condition_list_ID 8 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_8 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 28 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 MET N N 15 . 1 1 1 1 MET H H 1 0.586 0.024 . . . . . . . . . . 5569 28 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.796 0.049 . . . . . . . . . . 5569 28 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.798 0.035 . . . . . . . . . . 5569 28 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.831 0.027 . . . . . . . . . . 5569 28 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.815 0.037 . . . . . . . . . . 5569 28 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.84 0.049 . . . . . . . . . . 5569 28 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.818 0.042 . . . . . . . . . . 5569 28 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.809 0.045 . . . . . . . . . . 5569 28 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.817 0.037 . . . . . . . . . . 5569 28 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.691 0.03 . . . . . . . . . . 5569 28 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.773 0.039 . . . . . . . . . . 5569 28 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.589 0.029 . . . . . . . . . . 5569 28 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.765 0.026 . . . . . . . . . . 5569 28 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.801 0.036 . . . . . . . . . . 5569 28 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.812 0.028 . . . . . . . . . . 5569 28 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.824 0.032 . . . . . . . . . . 5569 28 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.811 0.029 . . . . . . . . . . 5569 28 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.825 0.043 . . . . . . . . . . 5569 28 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.835 0.05 . . . . . . . . . . 5569 28 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.843 0.04 . . . . . . . . . . 5569 28 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.788 0.034 . . . . . . . . . . 5569 28 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.801 0.048 . . . . . . . . . . 5569 28 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.874 0.049 . . . . . . . . . . 5569 28 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.853 0.032 . . . . . . . . . . 5569 28 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.85 0.043 . . . . . . . . . . 5569 28 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.83 0.026 . . . . . . . . . . 5569 28 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.849 0.041 . . . . . . . . . . 5569 28 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.824 0.028 . . . . . . . . . . 5569 28 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.826 0.041 . . . . . . . . . . 5569 28 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.827 0.042 . . . . . . . . . . 5569 28 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.867 0.053 . . . . . . . . . . 5569 28 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.823 0.05 . . . . . . . . . . 5569 28 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.812 0.028 . . . . . . . . . . 5569 28 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.849 0.043 . . . . . . . . . . 5569 28 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.853 0.048 . . . . . . . . . . 5569 28 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.831 0.04 . . . . . . . . . . 5569 28 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.796 0.049 . . . . . . . . . . 5569 28 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.804 0.045 . . . . . . . . . . 5569 28 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.808 0.047 . . . . . . . . . . 5569 28 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.676 0.035 . . . . . . . . . . 5569 28 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.637 0.038 . . . . . . . . . . 5569 28 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.796 0.046 . . . . . . . . . . 5569 28 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.795 0.047 . . . . . . . . . . 5569 28 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.816 0.029 . . . . . . . . . . 5569 28 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.793 0.044 . . . . . . . . . . 5569 28 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.786 0.04 . . . . . . . . . . 5569 28 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.826 0.045 . . . . . . . . . . 5569 28 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.779 0.041 . . . . . . . . . . 5569 28 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.796 0.031 . . . . . . . . . . 5569 28 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.819 0.048 . . . . . . . . . . 5569 28 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.819 0.028 . . . . . . . . . . 5569 28 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.821 0.028 . . . . . . . . . . 5569 28 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.816 0.031 . . . . . . . . . . 5569 28 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.806 0.036 . . . . . . . . . . 5569 28 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.812 0.046 . . . . . . . . . . 5569 28 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.792 0.029 . . . . . . . . . . 5569 28 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_800_9 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_800_9 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 29 _Heteronucl_NOE_list.Sample_condition_list_ID 9 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_9 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 29 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 MET N N 15 . 1 1 1 1 MET H H 1 0.592 0.034 . . . . . . . . . . 5569 29 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.77 0.043 . . . . . . . . . . 5569 29 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.769 0.029 . . . . . . . . . . 5569 29 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.807 0.026 . . . . . . . . . . 5569 29 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.785 0.038 . . . . . . . . . . 5569 29 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.815 0.044 . . . . . . . . . . 5569 29 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.797 0.046 . . . . . . . . . . 5569 29 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.778 0.024 . . . . . . . . . . 5569 29 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.79 0.035 . . . . . . . . . . 5569 29 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.704 0.027 . . . . . . . . . . 5569 29 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.691 0.037 . . . . . . . . . . 5569 29 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.588 0.019 . . . . . . . . . . 5569 29 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.737 0.035 . . . . . . . . . . 5569 29 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.753 0.031 . . . . . . . . . . 5569 29 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.773 0.044 . . . . . . . . . . 5569 29 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.805 0.03 . . . . . . . . . . 5569 29 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.776 0.045 . . . . . . . . . . 5569 29 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.799 0.026 . . . . . . . . . . 5569 29 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.81 0.03 . . . . . . . . . . 5569 29 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.821 0.038 . . . . . . . . . . 5569 29 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.769 0.036 . . . . . . . . . . 5569 29 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.776 0.034 . . . . . . . . . . 5569 29 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.852 0.048 . . . . . . . . . . 5569 29 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.828 0.051 . . . . . . . . . . 5569 29 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.827 0.037 . . . . . . . . . . 5569 29 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.812 0.038 . . . . . . . . . . 5569 29 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.825 0.046 . . . . . . . . . . 5569 29 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.807 0.042 . . . . . . . . . . 5569 29 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.794 0.042 . . . . . . . . . . 5569 29 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.801 0.032 . . . . . . . . . . 5569 29 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.847 0.03 . . . . . . . . . . 5569 29 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.805 0.039 . . . . . . . . . . 5569 29 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.793 0.033 . . . . . . . . . . 5569 29 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.827 0.048 . . . . . . . . . . 5569 29 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.837 0.048 . . . . . . . . . . 5569 29 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.812 0.045 . . . . . . . . . . 5569 29 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.775 0.033 . . . . . . . . . . 5569 29 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.783 0.029 . . . . . . . . . . 5569 29 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.765 0.047 . . . . . . . . . . 5569 29 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.63 0.025 . . . . . . . . . . 5569 29 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.615 0.036 . . . . . . . . . . 5569 29 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.766 0.032 . . . . . . . . . . 5569 29 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.768 0.037 . . . . . . . . . . 5569 29 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.763 0.026 . . . . . . . . . . 5569 29 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.722 0.04 . . . . . . . . . . 5569 29 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.744 0.031 . . . . . . . . . . 5569 29 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.796 0.04 . . . . . . . . . . 5569 29 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.788 0.031 . . . . . . . . . . 5569 29 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.764 0.029 . . . . . . . . . . 5569 29 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.798 0.03 . . . . . . . . . . 5569 29 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.791 0.029 . . . . . . . . . . 5569 29 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.796 0.046 . . . . . . . . . . 5569 29 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.789 0.03 . . . . . . . . . . 5569 29 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.784 0.025 . . . . . . . . . . 5569 29 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.792 0.032 . . . . . . . . . . 5569 29 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.776 0.045 . . . . . . . . . . 5569 29 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_800_10 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_800_10 _Heteronucl_NOE_list.Entry_ID 5569 _Heteronucl_NOE_list.ID 30 _Heteronucl_NOE_list.Sample_condition_list_ID 10 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_10 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5569 30 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 MET N N 15 . 1 1 1 1 MET H H 1 0.592 0.026 . . . . . . . . . . 5569 30 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.77 0.043 . . . . . . . . . . 5569 30 3 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.769 0.027 . . . . . . . . . . 5569 30 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.807 0.031 . . . . . . . . . . 5569 30 5 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.785 0.031 . . . . . . . . . . 5569 30 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.815 0.034 . . . . . . . . . . 5569 30 7 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.797 0.047 . . . . . . . . . . 5569 30 8 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.778 0.031 . . . . . . . . . . 5569 30 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.79 0.031 . . . . . . . . . . 5569 30 10 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.704 0.032 . . . . . . . . . . 5569 30 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.691 0.041 . . . . . . . . . . 5569 30 12 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.588 0.029 . . . . . . . . . . 5569 30 13 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.737 0.039 . . . . . . . . . . 5569 30 14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.753 0.035 . . . . . . . . . . 5569 30 15 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.773 0.037 . . . . . . . . . . 5569 30 16 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.805 0.034 . . . . . . . . . . 5569 30 17 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.776 0.044 . . . . . . . . . . 5569 30 18 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.799 0.041 . . . . . . . . . . 5569 30 19 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.81 0.026 . . . . . . . . . . 5569 30 20 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.821 0.025 . . . . . . . . . . 5569 30 21 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.769 0.047 . . . . . . . . . . 5569 30 22 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.776 0.031 . . . . . . . . . . 5569 30 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.852 0.044 . . . . . . . . . . 5569 30 24 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.828 0.044 . . . . . . . . . . 5569 30 25 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.827 0.036 . . . . . . . . . . 5569 30 26 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.812 0.041 . . . . . . . . . . 5569 30 27 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.825 0.044 . . . . . . . . . . 5569 30 28 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.807 0.044 . . . . . . . . . . 5569 30 29 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.794 0.034 . . . . . . . . . . 5569 30 30 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.801 0.025 . . . . . . . . . . 5569 30 31 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.847 0.038 . . . . . . . . . . 5569 30 32 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.805 0.037 . . . . . . . . . . 5569 30 33 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.793 0.03 . . . . . . . . . . 5569 30 34 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.827 0.042 . . . . . . . . . . 5569 30 35 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.837 0.031 . . . . . . . . . . 5569 30 36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.812 0.028 . . . . . . . . . . 5569 30 37 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.775 0.028 . . . . . . . . . . 5569 30 38 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.783 0.045 . . . . . . . . . . 5569 30 39 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.765 0.028 . . . . . . . . . . 5569 30 40 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.63 0.039 . . . . . . . . . . 5569 30 41 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.615 0.029 . . . . . . . . . . 5569 30 42 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.766 0.045 . . . . . . . . . . 5569 30 43 . 1 1 43 43 TRP N N 15 . 1 1 43 43 TRP H H 1 0.768 0.041 . . . . . . . . . . 5569 30 44 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.763 0.031 . . . . . . . . . . 5569 30 45 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.722 0.035 . . . . . . . . . . 5569 30 46 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.744 0.025 . . . . . . . . . . 5569 30 47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.796 0.026 . . . . . . . . . . 5569 30 48 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.788 0.035 . . . . . . . . . . 5569 30 49 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.764 0.037 . . . . . . . . . . 5569 30 50 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.798 0.042 . . . . . . . . . . 5569 30 51 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.791 0.038 . . . . . . . . . . 5569 30 52 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.796 0.039 . . . . . . . . . . 5569 30 53 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.789 0.044 . . . . . . . . . . 5569 30 54 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.784 0.024 . . . . . . . . . . 5569 30 55 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.792 0.034 . . . . . . . . . . 5569 30 56 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.776 0.026 . . . . . . . . . . 5569 30 stop_ save_