############################## # 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 5520 _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 . . 1 $Sample_1 . 5520 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 . . . 2 2 ALA . . . . . . 2 2 ALA . . . -3.4 0.10 . . . . . . . . . . 5520 1 2 . . . 3 3 ALA . . . . . . 3 3 ALA . . . -1.2 0.03 . . . . . . . . . . 5520 1 3 . . . 4 4 VAL . . . . . . 4 4 VAL . . . -0.4 0.11 . . . . . . . . . . 5520 1 4 . . . 5 5 SER . . . . . . 5 5 SER . . . -0.0 0.15 . . . . . . . . . . 5520 1 5 . . . 6 6 VAL . . . . . . 6 6 VAL . . . 0.33 0.083 . . . . . . . . . . 5520 1 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.66 0.066 . . . . . . . . . . 5520 1 7 . . . 8 8 CYS . . . . . . 8 8 CYS . . . 0.66 0.046 . . . . . . . . . . 5520 1 8 . . . 9 9 SER . . . . . . 9 9 SER . . . 0.55 0.039 . . . . . . . . . . 5520 1 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.68 0.047 . . . . . . . . . . 5520 1 10 . . . 11 11 TYR . . . . . . 11 11 TYR . . . 0.64 0.045 . . . . . . . . . . 5520 1 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.57 0.039 . . . . . . . . . . 5520 1 12 . . . 15 15 ALA . . . . . . 15 15 ALA . . . 0.55 0.058 . . . . . . . . . . 5520 1 13 . . . 16 16 CYS . . . . . . 16 16 CYS . . . 0.55 0.038 . . . . . . . . . . 5520 1 14 . . . 17 17 THR . . . . . . 17 17 THR . . . 0.18 0.012 . . . . . . . . . . 5520 1 15 . . . 18 18 LEU . . . . . . 18 18 LEU . . . -0.0 0.27 . . . . . . . . . . 5520 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 5520 _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 . . 1 $Sample_1 . 5520 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 TYR . . . . . . 2 2 TYR . . . 0.63 0.044 . . . . . . . . . . 5520 2 2 . . . 3 3 ARG . . . . . . 3 3 ARG . . . 0.35 0.025 . . . . . . . . . . 5520 2 3 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.57 0.040 . . . . . . . . . . 5520 2 4 . . . 6 6 CYS . . . . . . 6 6 CYS . . . 0.70 0.049 . . . . . . . . . . 5520 2 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.60 0.042 . . . . . . . . . . 5520 2 6 . . . 8 8 SER . . . . . . 8 8 SER . . . 0.65 0.046 . . . . . . . . . . 5520 2 7 . . . 9 9 ASP . . . . . . 9 9 ASP . . . 0.70 0.049 . . . . . . . . . . 5520 2 8 . . . 10 10 ASN . . . . . . 10 10 ASN . . . 0.58 0.041 . . . . . . . . . . 5520 2 9 . . . 11 11 LYS . . . . . . 11 11 LYS . . . 0.60 0.042 . . . . . . . . . . 5520 2 10 . . . 12 12 THR . . . . . . 12 12 THR . . . 0.60 0.042 . . . . . . . . . . 5520 2 11 . . . 13 13 TYR . . . . . . 13 13 TYR . . . 0.59 0.041 . . . . . . . . . . 5520 2 12 . . . 14 14 GLY . . . . . . 14 14 GLY . . . 0.66 0.046 . . . . . . . . . . 5520 2 13 . . . 15 15 ASN . . . . . . 15 15 ASN . . . 0.51 0.036 . . . . . . . . . . 5520 2 14 . . . 16 16 LYS . . . . . . 16 16 LYS . . . 0.67 0.047 . . . . . . . . . . 5520 2 15 . . . 17 17 CYS . . . . . . 17 17 CYS . . . 0.55 0.039 . . . . . . . . . . 5520 2 16 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.69 0.048 . . . . . . . . . . 5520 2 17 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.57 0.040 . . . . . . . . . . 5520 2 18 . . . 20 20 CYS . . . . . . 20 20 CYS . . . 0.58 0.040 . . . . . . . . . . 5520 2 19 . . . 21 21 ASN . . . . . . 21 21 ASN . . . 0.64 0.045 . . . . . . . . . . 5520 2 20 . . . 22 22 ALA . . . . . . 22 22 ALA . . . 0.70 0.049 . . . . . . . . . . 5520 2 21 . . . 23 23 VAL . . . . . . 23 23 VAL . . . 0.69 0.048 . . . . . . . . . . 5520 2 22 . . . 24 24 VAL . . . . . . 24 24 VAL . . . 0.63 0.044 . . . . . . . . . . 5520 2 23 . . . 25 25 GLU . . . . . . 25 25 GLU . . . 0.54 0.038 . . . . . . . . . . 5520 2 24 . . . 26 26 SER . . . . . . 26 26 SER . . . 0.57 0.040 . . . . . . . . . . 5520 2 25 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.68 0.047 . . . . . . . . . . 5520 2 26 . . . 28 28 GLY . . . . . . 28 28 GLY . . . 0.56 0.039 . . . . . . . . . . 5520 2 27 . . . 29 29 THR . . . . . . 29 29 THR . . . 0.68 0.047 . . . . . . . . . . 5520 2 28 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.66 0.046 . . . . . . . . . . 5520 2 29 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.68 0.047 . . . . . . . . . . 5520 2 30 . . . 32 32 LEU . . . . . . 32 32 LEU . . . 0.61 0.043 . . . . . . . . . . 5520 2 31 . . . 33 33 SER . . . . . . 33 33 SER . . . 0.66 0.046 . . . . . . . . . . 5520 2 32 . . . 34 34 HIS . . . . . . 34 34 HIS . . . 0.73 0.051 . . . . . . . . . . 5520 2 33 . . . 35 35 PHE . . . . . . 35 35 PHE . . . 0.62 0.043 . . . . . . . . . . 5520 2 34 . . . 36 36 GLY . . . . . . 36 36 GLY . . . 0.69 0.048 . . . . . . . . . . 5520 2 35 . . . 37 37 LYS . . . . . . 37 37 LYS . . . 0.64 0.045 . . . . . . . . . . 5520 2 36 . . . 38 38 CYS . . . . . . 38 38 CYS . . . 0.57 0.040 . . . . . . . . . . 5520 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 5520 _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 . . 1 $Sample_1 . 5520 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 . . . 2 2 ALA . . . . . . 2 2 ALA . . . -2.9 -0.08 . . . . . . . . . . 5520 3 2 . . . 3 3 ALA . . . . . . 3 3 ALA . . . -1.0 -0.03 . . . . . . . . . . 5520 3 3 . . . 4 4 VAL . . . . . . 4 4 VAL . . . -0.1 0.15 . . . . . . . . . . 5520 3 4 . . . 5 5 SER . . . . . . 5 5 SER . . . 0.25 0.17 . . . . . . . . . . 5520 3 5 . . . 6 6 VAL . . . . . . 6 6 VAL . . . 0.45 0.081 . . . . . . . . . . 5520 3 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.64 0.068 . . . . . . . . . . 5520 3 7 . . . 8 8 CYS . . . . . . 8 8 CYS . . . 0.66 0.046 . . . . . . . . . . 5520 3 8 . . . 9 9 SER . . . . . . 9 9 SER . . . 0.65 0.045 . . . . . . . . . . 5520 3 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.69 0.048 . . . . . . . . . . 5520 3 10 . . . 11 11 TYR . . . . . . 11 11 TYR . . . 0.65 0.045 . . . . . . . . . . 5520 3 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.65 0.045 . . . . . . . . . . 5520 3 12 . . . 15 15 ALA . . . . . . 15 15 ALA . . . 0.53 0.036 . . . . . . . . . . 5520 3 13 . . . 16 16 CYS . . . . . . 16 16 CYS . . . 0.64 0.044 . . . . . . . . . . 5520 3 14 . . . 17 17 THR . . . . . . 17 17 THR . . . 0.38 0.027 . . . . . . . . . . 5520 3 15 . . . 18 18 LEU . . . . . . 18 18 LEU . . . -0.2 0.15 . . . . . . . . . . 5520 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 5520 _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 . . 1 $Sample_1 . 5520 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 TYR . . . . . . 2 2 TYR . . . 0.66 0.062 . . . . . . . . . . 5520 4 2 . . . 3 3 ARG . . . . . . 3 3 ARG . . . 0.48 0.033 . . . . . . . . . . 5520 4 3 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.66 0.046 . . . . . . . . . . 5520 4 4 . . . 6 6 CYS . . . . . . 6 6 CYS . . . 0.70 0.049 . . . . . . . . . . 5520 4 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.73 0.051 . . . . . . . . . . 5520 4 6 . . . 8 8 SER . . . . . . 8 8 SER . . . 0.68 0.048 . . . . . . . . . . 5520 4 7 . . . 9 9 ASP . . . . . . 9 9 ASP . . . 0.69 0.048 . . . . . . . . . . 5520 4 8 . . . 10 10 ASN . . . . . . 10 10 ASN . . . 0.70 0.049 . . . . . . . . . . 5520 4 9 . . . 11 11 LYS . . . . . . 11 11 LYS . . . 0.74 0.052 . . . . . . . . . . 5520 4 10 . . . 12 12 THR . . . . . . 12 12 THR . . . 0.75 0.052 . . . . . . . . . . 5520 4 11 . . . 13 13 TYR . . . . . . 13 13 TYR . . . 0.65 0.045 . . . . . . . . . . 5520 4 12 . . . 14 14 GLY . . . . . . 14 14 GLY . . . 0.71 0.050 . . . . . . . . . . 5520 4 13 . . . 15 15 ASN . . . . . . 15 15 ASN . . . 0.73 0.051 . . . . . . . . . . 5520 4 14 . . . 16 16 LYS . . . . . . 16 16 LYS . . . 0.75 0.059 . . . . . . . . . . 5520 4 15 . . . 17 17 CYS . . . . . . 17 17 CYS . . . 0.64 0.045 . . . . . . . . . . 5520 4 16 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.69 0.057 . . . . . . . . . . 5520 4 17 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.64 0.045 . . . . . . . . . . 5520 4 18 . . . 20 20 CYS . . . . . . 20 20 CYS . . . 0.75 0.052 . . . . . . . . . . 5520 4 19 . . . 21 21 ASN . . . . . . 21 21 ASN . . . 0.80 0.056 . . . . . . . . . . 5520 4 20 . . . 22 22 ALA . . . . . . 22 22 ALA . . . 0.76 0.053 . . . . . . . . . . 5520 4 21 . . . 23 23 VAL . . . . . . 23 23 VAL . . . 0.67 0.047 . . . . . . . . . . 5520 4 22 . . . 24 24 VAL . . . . . . 24 24 VAL . . . 0.64 0.044 . . . . . . . . . . 5520 4 23 . . . 25 25 GLU . . . . . . 25 25 GLU . . . 0.78 0.054 . . . . . . . . . . 5520 4 24 . . . 26 26 SER . . . . . . 26 26 SER . . . 0.77 0.054 . . . . . . . . . . 5520 4 25 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.74 0.052 . . . . . . . . . . 5520 4 26 . . . 28 28 GLY . . . . . . 28 28 GLY . . . 0.64 0.045 . . . . . . . . . . 5520 4 27 . . . 29 29 THR . . . . . . 29 29 THR . . . 0.71 0.050 . . . . . . . . . . 5520 4 28 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.69 0.048 . . . . . . . . . . 5520 4 29 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.75 0.052 . . . . . . . . . . 5520 4 30 . . . 32 32 LEU . . . . . . 32 32 LEU . . . 0.68 0.048 . . . . . . . . . . 5520 4 31 . . . 33 33 SER . . . . . . 33 33 SER . . . 0.69 0.048 . . . . . . . . . . 5520 4 32 . . . 34 34 HIS . . . . . . 34 34 HIS . . . 0.75 0.052 . . . . . . . . . . 5520 4 33 . . . 35 35 PHE . . . . . . 35 35 PHE . . . 0.73 0.051 . . . . . . . . . . 5520 4 34 . . . 36 36 GLY . . . . . . 36 36 GLY . . . 0.73 0.051 . . . . . . . . . . 5520 4 35 . . . 37 37 LYS . . . . . . 37 37 LYS . . . 0.68 0.047 . . . . . . . . . . 5520 4 36 . . . 38 38 CYS . . . . . . 38 38 CYS . . . 0.76 0.053 . . . . . . . . . . 5520 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 5520 _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 . . 1 $Sample_1 . 5520 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 . . . 2 2 ALA . . . . . . 2 2 ALA . . . -1.5 0.04 . . . . . . . . . . 5520 5 2 . . . 3 3 ALA . . . . . . 3 3 ALA . . . -0.7 0.02 . . . . . . . . . . 5520 5 3 . . . 4 4 VAL . . . . . . 4 4 VAL . . . -0.0 0.05 . . . . . . . . . . 5520 5 4 . . . 5 5 SER . . . . . . 5 5 SER . . . 0.17 0.012 . . . . . . . . . . 5520 5 5 . . . 6 6 VAL . . . . . . 6 6 VAL . . . 0.39 0.027 . . . . . . . . . . 5520 5 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.63 0.044 . . . . . . . . . . 5520 5 7 . . . 8 8 CYS . . . . . . 8 8 CYS . . . 0.67 0.047 . . . . . . . . . . 5520 5 8 . . . 9 9 SER . . . . . . 9 9 SER . . . 0.63 0.044 . . . . . . . . . . 5520 5 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.66 0.046 . . . . . . . . . . 5520 5 10 . . . 11 11 TYR . . . . . . 11 11 TYR . . . 0.64 0.044 . . . . . . . . . . 5520 5 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.62 0.043 . . . . . . . . . . 5520 5 12 . . . 15 15 ALA . . . . . . 15 15 ALA . . . 0.53 0.037 . . . . . . . . . . 5520 5 13 . . . 16 16 CYS . . . . . . 16 16 CYS . . . 0.60 0.042 . . . . . . . . . . 5520 5 14 . . . 17 17 THR . . . . . . 17 17 THR . . . 0.38 0.027 . . . . . . . . . . 5520 5 15 . . . 18 18 LEU . . . . . . 18 18 LEU . . . -0.0 0.37 . . . . . . . . . . 5520 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 5520 _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 . . 1 $Sample_1 . 5520 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 TYR . . . . . . 2 2 TYR . . . 0.26 0.028 . . . . . . . . . . 5520 6 2 . . . 3 3 ARG . . . . . . 3 3 ARG . . . 0.44 0.030 . . . . . . . . . . 5520 6 3 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.69 0.048 . . . . . . . . . . 5520 6 4 . . . 6 6 CYS . . . . . . 6 6 CYS . . . 0.73 0.051 . . . . . . . . . . 5520 6 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.73 0.051 . . . . . . . . . . 5520 6 6 . . . 8 8 SER . . . . . . 8 8 SER . . . 0.70 0.049 . . . . . . . . . . 5520 6 7 . . . 9 9 ASP . . . . . . 9 9 ASP . . . 0.67 0.047 . . . . . . . . . . 5520 6 8 . . . 10 10 ASN . . . . . . 10 10 ASN . . . 0.67 0.047 . . . . . . . . . . 5520 6 9 . . . 11 11 LYS . . . . . . 11 11 LYS . . . 0.76 0.053 . . . . . . . . . . 5520 6 10 . . . 12 12 THR . . . . . . 12 12 THR . . . 0.73 0.051 . . . . . . . . . . 5520 6 11 . . . 13 13 TYR . . . . . . 13 13 TYR . . . 0.70 0.049 . . . . . . . . . . 5520 6 12 . . . 14 14 GLY . . . . . . 14 14 GLY . . . 0.70 0.049 . . . . . . . . . . 5520 6 13 . . . 15 15 ASN . . . . . . 15 15 ASN . . . 0.65 0.046 . . . . . . . . . . 5520 6 14 . . . 16 16 LYS . . . . . . 16 16 LYS . . . 0.68 0.048 . . . . . . . . . . 5520 6 15 . . . 17 17 CYS . . . . . . 17 17 CYS . . . 0.60 0.042 . . . . . . . . . . 5520 6 16 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.75 0.053 . . . . . . . . . . 5520 6 17 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.79 0.055 . . . . . . . . . . 5520 6 18 . . . 20 20 CYS . . . . . . 20 20 CYS . . . 0.72 0.050 . . . . . . . . . . 5520 6 19 . . . 21 21 ASN . . . . . . 21 21 ASN . . . 0.79 0.055 . . . . . . . . . . 5520 6 20 . . . 22 22 ALA . . . . . . 22 22 ALA . . . 0.70 0.049 . . . . . . . . . . 5520 6 21 . . . 23 23 VAL . . . . . . 23 23 VAL . . . 0.72 0.050 . . . . . . . . . . 5520 6 22 . . . 24 24 VAL . . . . . . 24 24 VAL . . . 0.66 0.046 . . . . . . . . . . 5520 6 23 . . . 25 25 GLU . . . . . . 25 25 GLU . . . 0.66 0.046 . . . . . . . . . . 5520 6 24 . . . 26 26 SER . . . . . . 26 26 SER . . . 0.71 0.050 . . . . . . . . . . 5520 6 25 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.73 0.051 . . . . . . . . . . 5520 6 26 . . . 28 28 GLY . . . . . . 28 28 GLY . . . 0.62 0.043 . . . . . . . . . . 5520 6 27 . . . 29 29 THR . . . . . . 29 29 THR . . . 0.70 0.049 . . . . . . . . . . 5520 6 28 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.68 0.047 . . . . . . . . . . 5520 6 29 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.76 0.053 . . . . . . . . . . 5520 6 30 . . . 32 32 LEU . . . . . . 32 32 LEU . . . 0.67 0.047 . . . . . . . . . . 5520 6 31 . . . 33 33 SER . . . . . . 33 33 SER . . . 0.67 0.047 . . . . . . . . . . 5520 6 32 . . . 34 34 HIS . . . . . . 34 34 HIS . . . 0.80 0.056 . . . . . . . . . . 5520 6 33 . . . 35 35 PHE . . . . . . 35 35 PHE . . . 0.74 0.052 . . . . . . . . . . 5520 6 34 . . . 36 36 GLY . . . . . . 36 36 GLY . . . 0.75 0.053 . . . . . . . . . . 5520 6 35 . . . 37 37 LYS . . . . . . 37 37 LYS . . . 0.61 0.042 . . . . . . . . . . 5520 6 36 . . . 38 38 CYS . . . . . . 38 38 CYS . . . 0.73 0.051 . . . . . . . . . . 5520 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 5520 _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 . . 1 $Sample_1 . 5520 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 . . . 2 2 ALA . . . . . . 2 2 ALA . . . -1.4 0.04 . . . . . . . . . . 5520 7 2 . . . 3 3 ALA . . . . . . 3 3 ALA . . . -0.6 0.01 . . . . . . . . . . 5520 7 3 . . . 4 4 VAL . . . . . . 4 4 VAL . . . -0.1 0.15 . . . . . . . . . . 5520 7 4 . . . 5 5 SER . . . . . . 5 5 SER . . . 0.42 0.229 . . . . . . . . . . 5520 7 5 . . . 6 6 VAL . . . . . . 6 6 VAL . . . 0.70 0.249 . . . . . . . . . . 5520 7 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.78 0.075 . . . . . . . . . . 5520 7 7 . . . 8 8 CYS . . . . . . 8 8 CYS . . . 0.73 0.051 . . . . . . . . . . 5520 7 8 . . . 9 9 SER . . . . . . 9 9 SER . . . 0.76 0.053 . . . . . . . . . . 5520 7 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.79 0.055 . . . . . . . . . . 5520 7 10 . . . 11 11 TYR . . . . . . 11 11 TYR . . . 0.75 0.052 . . . . . . . . . . 5520 7 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.77 0.054 . . . . . . . . . . 5520 7 12 . . . 15 15 ALA . . . . . . 15 15 ALA . . . 0.68 0.068 . . . . . . . . . . 5520 7 13 . . . 16 16 CYS . . . . . . 16 16 CYS . . . 0.74 0.051 . . . . . . . . . . 5520 7 14 . . . 17 17 THR . . . . . . 17 17 THR . . . 0.54 0.038 . . . . . . . . . . 5520 7 15 . . . 18 18 LEU . . . . . . 18 18 LEU . . . 0.30 0.081 . . . . . . . . . . 5520 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 5520 _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 . . 1 $Sample_1 . 5520 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 TYR . . . . . . 2 2 TYR . . . 0.61 0.042 . . . . . . . . . . 5520 8 2 . . . 3 3 ARG . . . . . . 3 3 ARG . . . 0.64 0.045 . . . . . . . . . . 5520 8 3 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.72 0.050 . . . . . . . . . . 5520 8 4 . . . 6 6 CYS . . . . . . 6 6 CYS . . . 0.77 0.054 . . . . . . . . . . 5520 8 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.80 0.056 . . . . . . . . . . 5520 8 6 . . . 8 8 SER . . . . . . 8 8 SER . . . 0.83 0.058 . . . . . . . . . . 5520 8 7 . . . 9 9 ASP . . . . . . 9 9 ASP . . . 0.78 0.055 . . . . . . . . . . 5520 8 8 . . . 10 10 ASN . . . . . . 10 10 ASN . . . 0.77 0.054 . . . . . . . . . . 5520 8 9 . . . 11 11 LYS . . . . . . 11 11 LYS . . . 0.76 0.053 . . . . . . . . . . 5520 8 10 . . . 12 12 THR . . . . . . 12 12 THR . . . 0.76 0.053 . . . . . . . . . . 5520 8 11 . . . 13 13 TYR . . . . . . 13 13 TYR . . . 0.76 0.053 . . . . . . . . . . 5520 8 12 . . . 14 14 GLY . . . . . . 14 14 GLY . . . 0.74 0.052 . . . . . . . . . . 5520 8 13 . . . 15 15 ASN . . . . . . 15 15 ASN . . . 0.80 0.056 . . . . . . . . . . 5520 8 14 . . . 16 16 LYS . . . . . . 16 16 LYS . . . 0.79 0.055 . . . . . . . . . . 5520 8 15 . . . 17 17 CYS . . . . . . 17 17 CYS . . . 0.80 0.056 . . . . . . . . . . 5520 8 16 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.80 0.056 . . . . . . . . . . 5520 8 17 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.77 0.054 . . . . . . . . . . 5520 8 18 . . . 20 20 CYS . . . . . . 20 20 CYS . . . 0.81 0.057 . . . . . . . . . . 5520 8 19 . . . 21 21 ASN . . . . . . 21 21 ASN . . . 0.78 0.054 . . . . . . . . . . 5520 8 20 . . . 22 22 ALA . . . . . . 22 22 ALA . . . 0.86 0.060 . . . . . . . . . . 5520 8 21 . . . 23 23 VAL . . . . . . 23 23 VAL . . . 0.79 0.055 . . . . . . . . . . 5520 8 22 . . . 24 24 VAL . . . . . . 24 24 VAL . . . 0.81 0.057 . . . . . . . . . . 5520 8 23 . . . 25 25 GLU . . . . . . 25 25 GLU . . . 0.77 0.054 . . . . . . . . . . 5520 8 24 . . . 26 26 SER . . . . . . 26 26 SER . . . 0.76 0.053 . . . . . . . . . . 5520 8 25 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.71 0.050 . . . . . . . . . . 5520 8 26 . . . 28 28 GLY . . . . . . 28 28 GLY . . . 0.67 0.047 . . . . . . . . . . 5520 8 27 . . . 29 29 THR . . . . . . 29 29 THR . . . 0.75 0.052 . . . . . . . . . . 5520 8 28 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.77 0.054 . . . . . . . . . . 5520 8 29 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.82 0.057 . . . . . . . . . . 5520 8 30 . . . 32 32 LEU . . . . . . 32 32 LEU . . . 0.76 0.053 . . . . . . . . . . 5520 8 31 . . . 33 33 SER . . . . . . 33 33 SER . . . 0.76 0.053 . . . . . . . . . . 5520 8 32 . . . 34 34 HIS . . . . . . 34 34 HIS . . . 0.79 0.055 . . . . . . . . . . 5520 8 33 . . . 35 35 PHE . . . . . . 35 35 PHE . . . 0.82 0.057 . . . . . . . . . . 5520 8 34 . . . 36 36 GLY . . . . . . 36 36 GLY . . . 0.76 0.053 . . . . . . . . . . 5520 8 35 . . . 37 37 LYS . . . . . . 37 37 LYS . . . 0.84 0.059 . . . . . . . . . . 5520 8 36 . . . 38 38 CYS . . . . . . 38 38 CYS . . . 0.80 0.056 . . . . . . . . . . 5520 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 5520 _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 . . 1 $Sample_1 . 5520 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 . . . 2 2 ALA . . . . . . 2 2 ALA . . . -1.1 0.03 . . . . . . . . . . 5520 9 2 . . . 3 3 ALA . . . . . . 3 3 ALA . . . -0.5 0.01 . . . . . . . . . . 5520 9 3 . . . 4 4 VAL . . . . . . 4 4 VAL . . . -0.1 0.05 . . . . . . . . . . 5520 9 4 . . . 5 5 SER . . . . . . 5 5 SER . . . 0.46 0.032 . . . . . . . . . . 5520 9 5 . . . 6 6 VAL . . . . . . 6 6 VAL . . . 0.63 0.044 . . . . . . . . . . 5520 9 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.72 0.051 . . . . . . . . . . 5520 9 7 . . . 8 8 CYS . . . . . . 8 8 CYS . . . 0.73 0.051 . . . . . . . . . . 5520 9 8 . . . 9 9 SER . . . . . . 9 9 SER . . . 0.72 0.050 . . . . . . . . . . 5520 9 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.79 0.055 . . . . . . . . . . 5520 9 10 . . . 11 11 TYR . . . . . . 11 11 TYR . . . 0.76 0.053 . . . . . . . . . . 5520 9 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.82 0.057 . . . . . . . . . . 5520 9 12 . . . 15 15 ALA . . . . . . 15 15 ALA . . . 0.73 0.051 . . . . . . . . . . 5520 9 13 . . . 16 16 CYS . . . . . . 16 16 CYS . . . 0.75 0.053 . . . . . . . . . . 5520 9 14 . . . 17 17 THR . . . . . . 17 17 THR . . . 0.54 0.038 . . . . . . . . . . 5520 9 15 . . . 18 18 LEU . . . . . . 18 18 LEU . . . 0.01 0.043 . . . . . . . . . . 5520 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 5520 _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 . . 1 $Sample_1 . 5520 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 TYR . . . . . . 2 2 TYR . . . 0.51 0.045 . . . . . . . . . . 5520 10 2 . . . 3 3 ARG . . . . . . 3 3 ARG . . . 0.60 0.042 . . . . . . . . . . 5520 10 3 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.69 0.048 . . . . . . . . . . 5520 10 4 . . . 6 6 CYS . . . . . . 6 6 CYS . . . 0.80 0.056 . . . . . . . . . . 5520 10 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.79 0.055 . . . . . . . . . . 5520 10 6 . . . 8 8 SER . . . . . . 8 8 SER . . . 0.80 0.056 . . . . . . . . . . 5520 10 7 . . . 9 9 ASP . . . . . . 9 9 ASP . . . 0.80 0.056 . . . . . . . . . . 5520 10 8 . . . 10 10 ASN . . . . . . 10 10 ASN . . . 0.74 0.051 . . . . . . . . . . 5520 10 9 . . . 11 11 LYS . . . . . . 11 11 LYS . . . 0.78 0.055 . . . . . . . . . . 5520 10 10 . . . 12 12 THR . . . . . . 12 12 THR . . . 0.85 0.059 . . . . . . . . . . 5520 10 11 . . . 13 13 TYR . . . . . . 13 13 TYR . . . 0.81 0.057 . . . . . . . . . . 5520 10 12 . . . 14 14 GLY . . . . . . 14 14 GLY . . . 0.78 0.054 . . . . . . . . . . 5520 10 13 . . . 15 15 ASN . . . . . . 15 15 ASN . . . 0.83 0.058 . . . . . . . . . . 5520 10 14 . . . 16 16 LYS . . . . . . 16 16 LYS . . . 0.70 0.049 . . . . . . . . . . 5520 10 15 . . . 17 17 CYS . . . . . . 17 17 CYS . . . 0.85 0.060 . . . . . . . . . . 5520 10 16 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.84 0.058 . . . . . . . . . . 5520 10 17 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.83 0.058 . . . . . . . . . . 5520 10 18 . . . 20 20 CYS . . . . . . 20 20 CYS . . . 0.83 0.058 . . . . . . . . . . 5520 10 19 . . . 21 21 ASN . . . . . . 21 21 ASN . . . 0.76 0.053 . . . . . . . . . . 5520 10 20 . . . 22 22 ALA . . . . . . 22 22 ALA . . . 0.80 0.056 . . . . . . . . . . 5520 10 21 . . . 23 23 VAL . . . . . . 23 23 VAL . . . 0.87 0.061 . . . . . . . . . . 5520 10 22 . . . 24 24 VAL . . . . . . 24 24 VAL . . . 0.86 0.060 . . . . . . . . . . 5520 10 23 . . . 25 25 GLU . . . . . . 25 25 GLU . . . 0.85 0.060 . . . . . . . . . . 5520 10 24 . . . 26 26 SER . . . . . . 26 26 SER . . . 0.78 0.054 . . . . . . . . . . 5520 10 25 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.76 0.053 . . . . . . . . . . 5520 10 26 . . . 28 28 GLY . . . . . . 28 28 GLY . . . 0.71 0.050 . . . . . . . . . . 5520 10 27 . . . 29 29 THR . . . . . . 29 29 THR . . . 0.71 0.050 . . . . . . . . . . 5520 10 28 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.84 0.059 . . . . . . . . . . 5520 10 29 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.81 0.057 . . . . . . . . . . 5520 10 30 . . . 32 32 LEU . . . . . . 32 32 LEU . . . 0.79 0.055 . . . . . . . . . . 5520 10 31 . . . 33 33 SER . . . . . . 33 33 SER . . . 0.74 0.052 . . . . . . . . . . 5520 10 32 . . . 34 34 HIS . . . . . . 34 34 HIS . . . 0.83 0.058 . . . . . . . . . . 5520 10 33 . . . 35 35 PHE . . . . . . 35 35 PHE . . . 0.80 0.056 . . . . . . . . . . 5520 10 34 . . . 36 36 GLY . . . . . . 36 36 GLY . . . 0.79 0.055 . . . . . . . . . . 5520 10 35 . . . 37 37 LYS . . . . . . 37 37 LYS . . . 0.93 0.065 . . . . . . . . . . 5520 10 36 . . . 38 38 CYS . . . . . . 38 38 CYS . . . 0.88 0.062 . . . . . . . . . . 5520 10 stop_ save_