############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_chain_1_500_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_1_500_pH6 _Heteronucl_NOE_list.Entry_ID 5521 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_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 3 '1H,15N NOE' 1 $Sample_1 . 5521 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ALA N N 15 . 1 1 3 3 ALA H H 1 -1.3 0.04 . . . . . . . . . . 5521 1 2 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 -0.4 0.10 . . . . . . . . . . 5521 1 3 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.00 0.270 . . . . . . . . . . 5521 1 4 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.26 0.10 . . . . . . . . . . 5521 1 5 . 1 1 7 7 ASP N N 15 . 1 1 7 7 ASP H H 1 0.63 0.044 . . . . . . . . . . 5521 1 6 . 1 1 8 8 CYS N N 15 . 1 1 8 8 CYS H H 1 0.68 0.048 . . . . . . . . . . 5521 1 7 . 1 1 9 9 SER N N 15 . 1 1 9 9 SER H H 1 0.72 0.050 . . . . . . . . . . 5521 1 8 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.62 0.043 . . . . . . . . . . 5521 1 9 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.64 0.045 . . . . . . . . . . 5521 1 10 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.55 0.038 . . . . . . . . . . 5521 1 11 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.54 0.107 . . . . . . . . . . 5521 1 12 . 1 1 16 16 CYS N N 15 . 1 1 16 16 CYS H H 1 0.51 0.135 . . . . . . . . . . 5521 1 13 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.0 0.174 . . . . . . . . . . 5521 1 14 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 -0.36 0.15 . . . . . . . . . . 5521 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_chain_2_500_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_2_500_pH6 _Heteronucl_NOE_list.Entry_ID 5521 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_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 3 '1H,15N NOE' 1 $Sample_1 . 5521 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 . 2 2 3 3 ARG N N 15 . 2 2 3 3 ARG H H 1 0.17 0.141 . . . . . . . . . . 5521 2 2 . 2 2 5 5 LEU N N 15 . 2 2 5 5 LEU H H 1 0.58 0.041 . . . . . . . . . . 5521 2 3 . 2 2 6 6 CYS N N 15 . 2 2 6 6 CYS H H 1 0.76 0.053 . . . . . . . . . . 5521 2 4 . 2 2 7 7 GLY N N 15 . 2 2 7 7 GLY H H 1 0.62 0.043 . . . . . . . . . . 5521 2 5 . 2 2 8 8 SER N N 15 . 2 2 8 8 SER H H 1 0.66 0.046 . . . . . . . . . . 5521 2 6 . 2 2 9 9 ASP N N 15 . 2 2 9 9 ASP H H 1 0.65 0.046 . . . . . . . . . . 5521 2 7 . 2 2 10 10 ASN N N 15 . 2 2 10 10 ASN H H 1 0.59 0.041 . . . . . . . . . . 5521 2 8 . 2 2 11 11 LYS N N 15 . 2 2 11 11 LYS H H 1 0.66 0.046 . . . . . . . . . . 5521 2 9 . 2 2 12 12 THR N N 15 . 2 2 12 12 THR H H 1 0.62 0.043 . . . . . . . . . . 5521 2 10 . 2 2 13 13 TYR N N 15 . 2 2 13 13 TYR H H 1 0.58 0.041 . . . . . . . . . . 5521 2 11 . 2 2 14 14 GLY N N 15 . 2 2 14 14 GLY H H 1 0.66 0.046 . . . . . . . . . . 5521 2 12 . 2 2 15 15 ASN N N 15 . 2 2 15 15 ASN H H 1 0.59 0.041 . . . . . . . . . . 5521 2 13 . 2 2 16 16 LYS N N 15 . 2 2 16 16 LYS H H 1 0.65 0.045 . . . . . . . . . . 5521 2 14 . 2 2 17 17 CYS N N 15 . 2 2 17 17 CYS H H 1 0.59 0.041 . . . . . . . . . . 5521 2 15 . 2 2 18 18 ASN N N 15 . 2 2 18 18 ASN H H 1 0.57 0.040 . . . . . . . . . . 5521 2 16 . 2 2 19 19 PHE N N 15 . 2 2 19 19 PHE H H 1 0.67 0.047 . . . . . . . . . . 5521 2 17 . 2 2 20 20 CYS N N 15 . 2 2 20 20 CYS H H 1 0.69 0.048 . . . . . . . . . . 5521 2 18 . 2 2 21 21 ASN N N 15 . 2 2 21 21 ASN H H 1 0.69 0.048 . . . . . . . . . . 5521 2 19 . 2 2 22 22 ALA N N 15 . 2 2 22 22 ALA H H 1 0.63 0.044 . . . . . . . . . . 5521 2 20 . 2 2 23 23 VAL N N 15 . 2 2 23 23 VAL H H 1 0.66 0.046 . . . . . . . . . . 5521 2 21 . 2 2 24 24 VAL N N 15 . 2 2 24 24 VAL H H 1 0.68 0.047 . . . . . . . . . . 5521 2 22 . 2 2 25 25 GLU N N 15 . 2 2 25 25 GLU H H 1 0.51 0.035 . . . . . . . . . . 5521 2 23 . 2 2 26 26 SER N N 15 . 2 2 26 26 SER H H 1 0.62 0.039 . . . . . . . . . . 5521 2 24 . 2 2 27 27 ASN N N 15 . 2 2 27 27 ASN H H 1 0.72 0.050 . . . . . . . . . . 5521 2 25 . 2 2 28 28 GLY N N 15 . 2 2 28 28 GLY H H 1 0.57 0.040 . . . . . . . . . . 5521 2 26 . 2 2 29 29 THR N N 15 . 2 2 29 29 THR H H 1 0.61 0.042 . . . . . . . . . . 5521 2 27 . 2 2 30 30 LEU N N 15 . 2 2 30 30 LEU H H 1 0.68 0.048 . . . . . . . . . . 5521 2 28 . 2 2 31 31 THR N N 15 . 2 2 31 31 THR H H 1 0.64 0.045 . . . . . . . . . . 5521 2 29 . 2 2 32 32 LEU N N 15 . 2 2 32 32 LEU H H 1 0.68 0.047 . . . . . . . . . . 5521 2 30 . 2 2 33 33 SER N N 15 . 2 2 33 33 SER H H 1 0.77 0.054 . . . . . . . . . . 5521 2 31 . 2 2 34 34 HIS N N 15 . 2 2 34 34 HIS H H 1 0.66 0.046 . . . . . . . . . . 5521 2 32 . 2 2 35 35 PHE N N 15 . 2 2 35 35 PHE H H 1 0.65 0.046 . . . . . . . . . . 5521 2 33 . 2 2 36 36 GLY N N 15 . 2 2 36 36 GLY H H 1 0.61 0.042 . . . . . . . . . . 5521 2 34 . 2 2 37 37 LYS N N 15 . 2 2 37 37 LYS H H 1 0.65 0.045 . . . . . . . . . . 5521 2 35 . 2 2 38 38 CYS N N 15 . 2 2 38 38 CYS H H 1 0.63 0.044 . . . . . . . . . . 5521 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_chain_1_600_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_1_600_pH6 _Heteronucl_NOE_list.Entry_ID 5521 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _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 3 '1H,15N NOE' 1 $Sample_1 . 5521 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ALA N N 15 . 1 1 3 3 ALA H H 1 -1.26 0.03 . . . . . . . . . . 5521 3 2 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 -0.11 0.15 . . . . . . . . . . 5521 3 3 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.22 0.19 . . . . . . . . . . 5521 3 4 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.44 0.131 . . . . . . . . . . 5521 3 5 . 1 1 7 7 ASP N N 15 . 1 1 7 7 ASP H H 1 0.65 0.046 . . . . . . . . . . 5521 3 6 . 1 1 8 8 CYS N N 15 . 1 1 8 8 CYS H H 1 0.73 0.051 . . . . . . . . . . 5521 3 7 . 1 1 9 9 SER N N 15 . 1 1 9 9 SER H H 1 0.70 0.049 . . . . . . . . . . 5521 3 8 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.70 0.049 . . . . . . . . . . 5521 3 9 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.73 0.051 . . . . . . . . . . 5521 3 10 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.67 0.049 . . . . . . . . . . 5521 3 11 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.52 0.106 . . . . . . . . . . 5521 3 12 . 1 1 16 16 CYS N N 15 . 1 1 16 16 CYS H H 1 0.60 0.145 . . . . . . . . . . 5521 3 13 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.30 0.123 . . . . . . . . . . 5521 3 14 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 -0.46 0.21 . . . . . . . . . . 5521 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_chain_2_600_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_2_600_pH6 _Heteronucl_NOE_list.Entry_ID 5521 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _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 3 '1H,15N NOE' 1 $Sample_1 . 5521 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 . 2 2 3 3 ARG N N 15 . 2 2 3 3 ARG H H 1 0.37 0.125 . . . . . . . . . . 5521 4 2 . 2 2 5 5 LEU N N 15 . 2 2 5 5 LEU H H 1 0.75 0.052 . . . . . . . . . . 5521 4 3 . 2 2 6 6 CYS N N 15 . 2 2 6 6 CYS H H 1 0.79 0.055 . . . . . . . . . . 5521 4 4 . 2 2 7 7 GLY N N 15 . 2 2 7 7 GLY H H 1 0.72 0.051 . . . . . . . . . . 5521 4 5 . 2 2 8 8 SER N N 15 . 2 2 8 8 SER H H 1 0.70 0.049 . . . . . . . . . . 5521 4 6 . 2 2 9 9 ASP N N 15 . 2 2 9 9 ASP H H 1 0.65 0.046 . . . . . . . . . . 5521 4 7 . 2 2 10 10 ASN N N 15 . 2 2 10 10 ASN H H 1 0.73 0.051 . . . . . . . . . . 5521 4 8 . 2 2 11 11 LYS N N 15 . 2 2 11 11 LYS H H 1 0.78 0.055 . . . . . . . . . . 5521 4 9 . 2 2 12 12 THR N N 15 . 2 2 12 12 THR H H 1 0.74 0.052 . . . . . . . . . . 5521 4 10 . 2 2 13 13 TYR N N 15 . 2 2 13 13 TYR H H 1 0.74 0.052 . . . . . . . . . . 5521 4 11 . 2 2 14 14 GLY N N 15 . 2 2 14 14 GLY H H 1 0.75 0.052 . . . . . . . . . . 5521 4 12 . 2 2 15 15 ASN N N 15 . 2 2 15 15 ASN H H 1 0.71 0.050 . . . . . . . . . . 5521 4 13 . 2 2 16 16 LYS N N 15 . 2 2 16 16 LYS H H 1 0.71 0.049 . . . . . . . . . . 5521 4 14 . 2 2 17 17 CYS N N 15 . 2 2 17 17 CYS H H 1 0.70 0.049 . . . . . . . . . . 5521 4 15 . 2 2 18 18 ASN N N 15 . 2 2 18 18 ASN H H 1 0.81 0.056 . . . . . . . . . . 5521 4 16 . 2 2 19 19 PHE N N 15 . 2 2 19 19 PHE H H 1 0.76 0.053 . . . . . . . . . . 5521 4 17 . 2 2 20 20 CYS N N 15 . 2 2 20 20 CYS H H 1 0.84 0.058 . . . . . . . . . . 5521 4 18 . 2 2 21 21 ASN N N 15 . 2 2 21 21 ASN H H 1 0.78 0.055 . . . . . . . . . . 5521 4 19 . 2 2 22 22 ALA N N 15 . 2 2 22 22 ALA H H 1 0.77 0.054 . . . . . . . . . . 5521 4 20 . 2 2 23 23 VAL N N 15 . 2 2 23 23 VAL H H 1 0.71 0.050 . . . . . . . . . . 5521 4 21 . 2 2 24 24 VAL N N 15 . 2 2 24 24 VAL H H 1 0.71 0.050 . . . . . . . . . . 5521 4 22 . 2 2 25 25 GLU N N 15 . 2 2 25 25 GLU H H 1 0.75 0.052 . . . . . . . . . . 5521 4 23 . 2 2 26 26 SER N N 15 . 2 2 26 26 SER H H 1 0.80 0.056 . . . . . . . . . . 5521 4 24 . 2 2 27 27 ASN N N 15 . 2 2 27 27 ASN H H 1 0.78 0.054 . . . . . . . . . . 5521 4 25 . 2 2 28 28 GLY N N 15 . 2 2 28 28 GLY H H 1 0.69 0.048 . . . . . . . . . . 5521 4 26 . 2 2 29 29 THR N N 15 . 2 2 29 29 THR H H 1 0.67 0.047 . . . . . . . . . . 5521 4 27 . 2 2 30 30 LEU N N 15 . 2 2 30 30 LEU H H 1 0.71 0.049 . . . . . . . . . . 5521 4 28 . 2 2 31 31 THR N N 15 . 2 2 31 31 THR H H 1 0.78 0.054 . . . . . . . . . . 5521 4 29 . 2 2 32 32 LEU N N 15 . 2 2 32 32 LEU H H 1 0.7 0.049 . . . . . . . . . . 5521 4 30 . 2 2 33 33 SER N N 15 . 2 2 33 33 SER H H 1 0.68 0.047 . . . . . . . . . . 5521 4 31 . 2 2 34 34 HIS N N 15 . 2 2 34 34 HIS H H 1 0.80 0.056 . . . . . . . . . . 5521 4 32 . 2 2 35 35 PHE N N 15 . 2 2 35 35 PHE H H 1 0.72 0.050 . . . . . . . . . . 5521 4 33 . 2 2 36 36 GLY N N 15 . 2 2 36 36 GLY H H 1 0.72 0.050 . . . . . . . . . . 5521 4 34 . 2 2 37 37 LYS N N 15 . 2 2 37 37 LYS H H 1 0.58 0.041 . . . . . . . . . . 5521 4 35 . 2 2 38 38 CYS N N 15 . 2 2 38 38 CYS H H 1 0.80 0.056 . . . . . . . . . . 5521 4 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_chain_1_600_pH39 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_1_600_pH39 _Heteronucl_NOE_list.Entry_ID 5521 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _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 3 '1H,15N NOE' 1 $Sample_1 . 5521 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 2 2 ALA N N 15 . 1 1 2 2 ALA H H 1 -1.5 0.04 . . . . . . . . . . 5521 5 2 . 1 1 3 3 ALA N N 15 . 1 1 3 3 ALA H H 1 -0.8 0.02 . . . . . . . . . . 5521 5 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 -0.0 0.05 . . . . . . . . . . 5521 5 4 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.08 0.005 . . . . . . . . . . 5521 5 5 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.38 0.027 . . . . . . . . . . 5521 5 6 . 1 1 7 7 ASP N N 15 . 1 1 7 7 ASP H H 1 0.61 0.042 . . . . . . . . . . 5521 5 7 . 1 1 8 8 CYS N N 15 . 1 1 8 8 CYS H H 1 0.66 0.046 . . . . . . . . . . 5521 5 8 . 1 1 9 9 SER N N 15 . 1 1 9 9 SER H H 1 0.62 0.043 . . . . . . . . . . 5521 5 9 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.67 0.047 . . . . . . . . . . 5521 5 10 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.66 0.046 . . . . . . . . . . 5521 5 11 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.63 0.044 . . . . . . . . . . 5521 5 12 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.51 0.075 . . . . . . . . . . 5521 5 13 . 1 1 16 16 CYS N N 15 . 1 1 16 16 CYS H H 1 0.60 0.042 . . . . . . . . . . 5521 5 14 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.34 0.024 . . . . . . . . . . 5521 5 15 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 -0.2 0.15 . . . . . . . . . . 5521 5 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_chain_2_600_pH39 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_2_600_pH39 _Heteronucl_NOE_list.Entry_ID 5521 _Heteronucl_NOE_list.ID 6 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _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 3 '1H,15N NOE' 1 $Sample_1 . 5521 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 . 2 2 2 2 HIS N N 15 . 2 2 2 2 HIS H H 1 -0.1 0.05 . . . . . . . . . . 5521 6 2 . 2 2 3 3 ARG N N 15 . 2 2 3 3 ARG H H 1 0.36 0.024 . . . . . . . . . . 5521 6 3 . 2 2 5 5 LEU N N 15 . 2 2 5 5 LEU H H 1 0.70 0.049 . . . . . . . . . . 5521 6 4 . 2 2 6 6 CYS N N 15 . 2 2 6 6 CYS H H 1 0.55 0.038 . . . . . . . . . . 5521 6 5 . 2 2 7 7 GLY N N 15 . 2 2 7 7 GLY H H 1 0.71 0.049 . . . . . . . . . . 5521 6 6 . 2 2 8 8 SER N N 15 . 2 2 8 8 SER H H 1 0.71 0.049 . . . . . . . . . . 5521 6 7 . 2 2 9 9 ASP N N 15 . 2 2 9 9 ASP H H 1 0.68 0.047 . . . . . . . . . . 5521 6 8 . 2 2 10 10 ASN N N 15 . 2 2 10 10 ASN H H 1 0.64 0.045 . . . . . . . . . . 5521 6 9 . 2 2 11 11 LYS N N 15 . 2 2 11 11 LYS H H 1 0.77 0.054 . . . . . . . . . . 5521 6 10 . 2 2 12 12 THR N N 15 . 2 2 12 12 THR H H 1 0.73 0.051 . . . . . . . . . . 5521 6 11 . 2 2 13 13 TYR N N 15 . 2 2 13 13 TYR H H 1 0.75 0.052 . . . . . . . . . . 5521 6 12 . 2 2 14 14 GLY N N 15 . 2 2 14 14 GLY H H 1 0.69 0.048 . . . . . . . . . . 5521 6 13 . 2 2 15 15 ASN N N 15 . 2 2 15 15 ASN H H 1 0.69 0.048 . . . . . . . . . . 5521 6 14 . 2 2 16 16 LYS N N 15 . 2 2 16 16 LYS H H 1 0.64 0.045 . . . . . . . . . . 5521 6 15 . 2 2 17 17 CYS N N 15 . 2 2 17 17 CYS H H 1 0.59 0.041 . . . . . . . . . . 5521 6 16 . 2 2 18 18 ASN N N 15 . 2 2 18 18 ASN H H 1 0.72 0.050 . . . . . . . . . . 5521 6 17 . 2 2 19 19 PHE N N 15 . 2 2 19 19 PHE H H 1 0.72 0.050 . . . . . . . . . . 5521 6 18 . 2 2 20 20 CYS N N 15 . 2 2 20 20 CYS H H 1 0.74 0.052 . . . . . . . . . . 5521 6 19 . 2 2 21 21 ASN N N 15 . 2 2 21 21 ASN H H 1 0.78 0.054 . . . . . . . . . . 5521 6 20 . 2 2 22 22 ALA N N 15 . 2 2 22 22 ALA H H 1 0.69 0.048 . . . . . . . . . . 5521 6 21 . 2 2 23 23 VAL N N 15 . 2 2 23 23 VAL H H 1 0.78 0.055 . . . . . . . . . . 5521 6 22 . 2 2 24 24 VAL N N 15 . 2 2 24 24 VAL H H 1 0.68 0.047 . . . . . . . . . . 5521 6 23 . 2 2 25 25 GLU N N 15 . 2 2 25 25 GLU H H 1 0.65 0.045 . . . . . . . . . . 5521 6 24 . 2 2 26 26 SER N N 15 . 2 2 26 26 SER H H 1 0.73 0.051 . . . . . . . . . . 5521 6 25 . 2 2 27 27 ASN N N 15 . 2 2 27 27 ASN H H 1 0.70 0.049 . . . . . . . . . . 5521 6 26 . 2 2 28 28 GLY N N 15 . 2 2 28 28 GLY H H 1 0.61 0.042 . . . . . . . . . . 5521 6 27 . 2 2 29 29 THR N N 15 . 2 2 29 29 THR H H 1 0.66 0.046 . . . . . . . . . . 5521 6 28 . 2 2 30 30 LEU N N 15 . 2 2 30 30 LEU H H 1 0.67 0.047 . . . . . . . . . . 5521 6 29 . 2 2 31 31 THR N N 15 . 2 2 31 31 THR H H 1 0.74 0.052 . . . . . . . . . . 5521 6 30 . 2 2 32 32 LEU N N 15 . 2 2 32 32 LEU H H 1 0.68 0.047 . . . . . . . . . . 5521 6 31 . 2 2 33 33 SER N N 15 . 2 2 33 33 SER H H 1 0.65 0.046 . . . . . . . . . . 5521 6 32 . 2 2 34 34 HIS N N 15 . 2 2 34 34 HIS H H 1 0.72 0.050 . . . . . . . . . . 5521 6 33 . 2 2 35 35 PHE N N 15 . 2 2 35 35 PHE H H 1 0.72 0.050 . . . . . . . . . . 5521 6 34 . 2 2 36 36 GLY N N 15 . 2 2 36 36 GLY H H 1 0.71 0.050 . . . . . . . . . . 5521 6 35 . 2 2 37 37 LYS N N 15 . 2 2 37 37 LYS H H 1 0.61 0.038 . . . . . . . . . . 5521 6 36 . 2 2 38 38 CYS N N 15 . 2 2 38 38 CYS H H 1 0.78 0.054 . . . . . . . . . . 5521 6 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_chain_1_750_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_1_750_pH6 _Heteronucl_NOE_list.Entry_ID 5521 _Heteronucl_NOE_list.ID 7 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _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 3 '1H,15N NOE' 1 $Sample_1 . 5521 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 3 3 ALA N N 15 . 1 1 3 3 ALA H H 1 -0.5 -0.01 . . . . . . . . . . 5521 7 2 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 -0.02 0.15 . . . . . . . . . . 5521 7 3 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.53 0.237 . . . . . . . . . . 5521 7 4 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.68 0.149 . . . . . . . . . . 5521 7 5 . 1 1 7 7 ASP N N 15 . 1 1 7 7 ASP H H 1 0.72 0.050 . . . . . . . . . . 5521 7 6 . 1 1 8 8 CYS N N 15 . 1 1 8 8 CYS H H 1 0.76 0.053 . . . . . . . . . . 5521 7 7 . 1 1 9 9 SER N N 15 . 1 1 9 9 SER H H 1 0.85 0.059 . . . . . . . . . . 5521 7 8 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.83 0.058 . . . . . . . . . . 5521 7 9 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.79 0.055 . . . . . . . . . . 5521 7 10 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.80 0.056 . . . . . . . . . . 5521 7 11 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.71 0.112 . . . . . . . . . . 5521 7 12 . 1 1 16 16 CYS N N 15 . 1 1 16 16 CYS H H 1 0.72 0.100 . . . . . . . . . . 5521 7 13 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.47 0.234 . . . . . . . . . . 5521 7 14 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.23 0.10 . . . . . . . . . . 5521 7 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_chain_2_750_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_2_750_pH6 _Heteronucl_NOE_list.Entry_ID 5521 _Heteronucl_NOE_list.ID 8 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _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 3 '1H,15N NOE' 1 $Sample_1 . 5521 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 . 2 2 3 3 ARG N N 15 . 2 2 3 3 ARG H H 1 0.56 0.140 . . . . . . . . . . 5521 8 2 . 2 2 5 5 LEU N N 15 . 2 2 5 5 LEU H H 1 0.85 0.059 . . . . . . . . . . 5521 8 3 . 2 2 6 6 CYS N N 15 . 2 2 6 6 CYS H H 1 0.80 0.056 . . . . . . . . . . 5521 8 4 . 2 2 7 7 GLY N N 15 . 2 2 7 7 GLY H H 1 0.79 0.055 . . . . . . . . . . 5521 8 5 . 2 2 8 8 SER N N 15 . 2 2 8 8 SER H H 1 0.80 0.056 . . . . . . . . . . 5521 8 6 . 2 2 9 9 ASP N N 15 . 2 2 9 9 ASP H H 1 0.82 0.057 . . . . . . . . . . 5521 8 7 . 2 2 10 10 ASN N N 15 . 2 2 10 10 ASN H H 1 0.78 0.055 . . . . . . . . . . 5521 8 8 . 2 2 11 11 LYS N N 15 . 2 2 11 11 LYS H H 1 0.81 0.056 . . . . . . . . . . 5521 8 9 . 2 2 12 12 THR N N 15 . 2 2 12 12 THR H H 1 0.81 0.056 . . . . . . . . . . 5521 8 10 . 2 2 13 13 TYR N N 15 . 2 2 13 13 TYR H H 1 0.84 0.059 . . . . . . . . . . 5521 8 11 . 2 2 14 14 GLY N N 15 . 2 2 14 14 GLY H H 1 0.78 0.054 . . . . . . . . . . 5521 8 12 . 2 2 15 15 ASN N N 15 . 2 2 15 15 ASN H H 1 0.87 0.061 . . . . . . . . . . 5521 8 13 . 2 2 16 16 LYS N N 15 . 2 2 16 16 LYS H H 1 0.81 0.057 . . . . . . . . . . 5521 8 14 . 2 2 17 17 CYS N N 15 . 2 2 17 17 CYS H H 1 0.74 0.052 . . . . . . . . . . 5521 8 15 . 2 2 18 18 ASN N N 15 . 2 2 18 18 ASN H H 1 0.85 0.059 . . . . . . . . . . 5521 8 16 . 2 2 19 19 PHE N N 15 . 2 2 19 19 PHE H H 1 0.82 0.057 . . . . . . . . . . 5521 8 17 . 2 2 20 20 CYS N N 15 . 2 2 20 20 CYS H H 1 0.77 0.054 . . . . . . . . . . 5521 8 18 . 2 2 21 21 ASN N N 15 . 2 2 21 21 ASN H H 1 0.85 0.059 . . . . . . . . . . 5521 8 19 . 2 2 22 22 ALA N N 15 . 2 2 22 22 ALA H H 1 0.80 0.056 . . . . . . . . . . 5521 8 20 . 2 2 23 23 VAL N N 15 . 2 2 23 23 VAL H H 1 0.87 0.061 . . . . . . . . . . 5521 8 21 . 2 2 24 24 VAL N N 15 . 2 2 24 24 VAL H H 1 0.81 0.057 . . . . . . . . . . 5521 8 22 . 2 2 25 25 GLU N N 15 . 2 2 25 25 GLU H H 1 0.83 0.058 . . . . . . . . . . 5521 8 23 . 2 2 26 26 SER N N 15 . 2 2 26 26 SER H H 1 0.79 0.055 . . . . . . . . . . 5521 8 24 . 2 2 27 27 ASN N N 15 . 2 2 27 27 ASN H H 1 0.75 0.052 . . . . . . . . . . 5521 8 25 . 2 2 28 28 GLY N N 15 . 2 2 28 28 GLY H H 1 0.74 0.052 . . . . . . . . . . 5521 8 26 . 2 2 29 29 THR N N 15 . 2 2 29 29 THR H H 1 0.76 0.053 . . . . . . . . . . 5521 8 27 . 2 2 30 30 LEU N N 15 . 2 2 30 30 LEU H H 1 0.79 0.055 . . . . . . . . . . 5521 8 28 . 2 2 31 31 THR N N 15 . 2 2 31 31 THR H H 1 0.82 0.057 . . . . . . . . . . 5521 8 29 . 2 2 32 32 LEU N N 15 . 2 2 32 32 LEU H H 1 0.82 0.057 . . . . . . . . . . 5521 8 30 . 2 2 33 33 SER N N 15 . 2 2 33 33 SER H H 1 0.77 0.053 . . . . . . . . . . 5521 8 31 . 2 2 34 34 HIS N N 15 . 2 2 34 34 HIS H H 1 0.78 0.055 . . . . . . . . . . 5521 8 32 . 2 2 35 35 PHE N N 15 . 2 2 35 35 PHE H H 1 0.86 0.060 . . . . . . . . . . 5521 8 33 . 2 2 36 36 GLY N N 15 . 2 2 36 36 GLY H H 1 0.85 0.059 . . . . . . . . . . 5521 8 34 . 2 2 37 37 LYS N N 15 . 2 2 37 37 LYS H H 1 0.85 0.059 . . . . . . . . . . 5521 8 35 . 2 2 38 38 CYS N N 15 . 2 2 38 38 CYS H H 1 0.78 0.055 . . . . . . . . . . 5521 8 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_chain_1_750_pH39 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_1_750_pH39 _Heteronucl_NOE_list.Entry_ID 5521 _Heteronucl_NOE_list.ID 9 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _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 3 '1H,15N NOE' 1 $Sample_1 . 5521 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 2 2 ALA N N 15 . 1 1 2 2 ALA H H 1 -0.9 -0.02 . . . . . . . . . . 5521 9 2 . 1 1 3 3 ALA N N 15 . 1 1 3 3 ALA H H 1 -0.5 -0.01 . . . . . . . . . . 5521 9 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 -0.0 -0.05 . . . . . . . . . . 5521 9 4 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.48 0.034 . . . . . . . . . . 5521 9 5 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.64 0.045 . . . . . . . . . . 5521 9 6 . 1 1 7 7 ASP N N 15 . 1 1 7 7 ASP H H 1 0.68 0.048 . . . . . . . . . . 5521 9 7 . 1 1 8 8 CYS N N 15 . 1 1 8 8 CYS H H 1 0.71 0.050 . . . . . . . . . . 5521 9 8 . 1 1 9 9 SER N N 15 . 1 1 9 9 SER H H 1 0.64 0.045 . . . . . . . . . . 5521 9 9 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.70 0.049 . . . . . . . . . . 5521 9 10 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.73 0.051 . . . . . . . . . . 5521 9 11 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.82 0.057 . . . . . . . . . . 5521 9 12 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.69 0.078 . . . . . . . . . . 5521 9 13 . 1 1 16 16 CYS N N 15 . 1 1 16 16 CYS H H 1 0.76 0.053 . . . . . . . . . . 5521 9 14 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.46 0.032 . . . . . . . . . . 5521 9 15 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.06 0.04 . . . . . . . . . . 5521 9 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_chain_2_750_pH39 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_2_750_pH39 _Heteronucl_NOE_list.Entry_ID 5521 _Heteronucl_NOE_list.ID 10 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _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 3 '1H,15N NOE' 1 $Sample_1 . 5521 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 . 2 2 2 2 HIS N N 15 . 2 2 2 2 HIS H H 1 0.09 0.08 . . . . . . . . . . 5521 10 2 . 2 2 3 3 ARG N N 15 . 2 2 3 3 ARG H H 1 0.53 0.036 . . . . . . . . . . 5521 10 3 . 2 2 5 5 LEU N N 15 . 2 2 5 5 LEU H H 1 0.79 0.055 . . . . . . . . . . 5521 10 4 . 2 2 6 6 CYS N N 15 . 2 2 6 6 CYS H H 1 0.73 0.051 . . . . . . . . . . 5521 10 5 . 2 2 7 7 GLY N N 15 . 2 2 7 7 GLY H H 1 0.76 0.053 . . . . . . . . . . 5521 10 6 . 2 2 8 8 SER N N 15 . 2 2 8 8 SER H H 1 0.80 0.056 . . . . . . . . . . 5521 10 7 . 2 2 9 9 ASP N N 15 . 2 2 9 9 ASP H H 1 0.81 0.056 . . . . . . . . . . 5521 10 8 . 2 2 10 10 ASN N N 15 . 2 2 10 10 ASN H H 1 0.73 0.051 . . . . . . . . . . 5521 10 9 . 2 2 11 11 LYS N N 15 . 2 2 11 11 LYS H H 1 0.79 0.055 . . . . . . . . . . 5521 10 10 . 2 2 12 12 THR N N 15 . 2 2 12 12 THR H H 1 0.75 0.053 . . . . . . . . . . 5521 10 11 . 2 2 13 13 TYR N N 15 . 2 2 13 13 TYR H H 1 0.81 0.057 . . . . . . . . . . 5521 10 12 . 2 2 14 14 GLY N N 15 . 2 2 14 14 GLY H H 1 0.77 0.054 . . . . . . . . . . 5521 10 13 . 2 2 15 15 ASN N N 15 . 2 2 15 15 ASN H H 1 0.64 0.044 . . . . . . . . . . 5521 10 14 . 2 2 16 16 LYS N N 15 . 2 2 16 16 LYS H H 1 0.75 0.053 . . . . . . . . . . 5521 10 15 . 2 2 17 17 CYS N N 15 . 2 2 17 17 CYS H H 1 0.65 0.045 . . . . . . . . . . 5521 10 16 . 2 2 18 18 ASN N N 15 . 2 2 18 18 ASN H H 1 0.77 0.054 . . . . . . . . . . 5521 10 17 . 2 2 19 19 PHE N N 15 . 2 2 19 19 PHE H H 1 0.83 0.058 . . . . . . . . . . 5521 10 18 . 2 2 20 20 CYS N N 15 . 2 2 20 20 CYS H H 1 0.82 0.057 . . . . . . . . . . 5521 10 19 . 2 2 21 21 ASN N N 15 . 2 2 21 21 ASN H H 1 0.85 0.059 . . . . . . . . . . 5521 10 20 . 2 2 22 22 ALA N N 15 . 2 2 22 22 ALA H H 1 0.81 0.057 . . . . . . . . . . 5521 10 21 . 2 2 23 23 VAL N N 15 . 2 2 23 23 VAL H H 1 0.79 0.055 . . . . . . . . . . 5521 10 22 . 2 2 24 24 VAL N N 15 . 2 2 24 24 VAL H H 1 0.71 0.049 . . . . . . . . . . 5521 10 23 . 2 2 25 25 GLU N N 15 . 2 2 25 25 GLU H H 1 0.73 0.051 . . . . . . . . . . 5521 10 24 . 2 2 26 26 SER N N 15 . 2 2 26 26 SER H H 1 0.79 0.055 . . . . . . . . . . 5521 10 25 . 2 2 27 27 ASN N N 15 . 2 2 27 27 ASN H H 1 0.73 0.051 . . . . . . . . . . 5521 10 26 . 2 2 28 28 GLY N N 15 . 2 2 28 28 GLY H H 1 0.59 0.041 . . . . . . . . . . 5521 10 27 . 2 2 29 29 THR N N 15 . 2 2 29 29 THR H H 1 0.70 0.049 . . . . . . . . . . 5521 10 28 . 2 2 30 30 LEU N N 15 . 2 2 30 30 LEU H H 1 0.74 0.052 . . . . . . . . . . 5521 10 29 . 2 2 31 31 THR N N 15 . 2 2 31 31 THR H H 1 0.83 0.058 . . . . . . . . . . 5521 10 30 . 2 2 32 32 LEU N N 15 . 2 2 32 32 LEU H H 1 0.80 0.056 . . . . . . . . . . 5521 10 31 . 2 2 33 33 SER N N 15 . 2 2 33 33 SER H H 1 0.71 0.050 . . . . . . . . . . 5521 10 32 . 2 2 34 34 HIS N N 15 . 2 2 34 34 HIS H H 1 0.81 0.057 . . . . . . . . . . 5521 10 33 . 2 2 35 35 PHE N N 15 . 2 2 35 35 PHE H H 1 0.74 0.051 . . . . . . . . . . 5521 10 34 . 2 2 36 36 GLY N N 15 . 2 2 36 36 GLY H H 1 0.77 0.054 . . . . . . . . . . 5521 10 35 . 2 2 37 37 LYS N N 15 . 2 2 37 37 LYS H H 1 0.84 0.059 . . . . . . . . . . 5521 10 36 . 2 2 38 38 CYS N N 15 . 2 2 38 38 CYS H H 1 0.78 0.054 . . . . . . . . . . 5521 10 stop_ save_