######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_rates_1 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_1 _H_exch_rate_list.Entry_ID 51144 _H_exch_rate_list.ID 1 _H_exch_rate_list.Name 'H exchange' _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'Temperature: 283.' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 12 '2D water selective inversion recovery' . . . 51144 1 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 4 $software_4 . . 51144 1 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 2 2 G H1 H 1 9 . . 0.8 24 . . . . 51144 1 2 . 1 1 4 4 G H1 H 1 8.4 . . 0.8 73 . . . . 51144 1 3 . 1 1 5 5 G H1 H 1 8.3 . . 0.8 99 . . . . 51144 1 4 . 1 1 6 6 G H1 H 1 8.6 . . 0.8 125 . . . . 51144 1 5 . 1 1 7 7 G H1 H 1 8.3 . . 0.7 151 . . . . 51144 1 6 . 1 1 12 12 G H1 H 1 8.3 . . 0.8 277 . . . . 51144 1 7 . 1 1 23 23 G H1 H 1 8.4 . . 0.8 548 . . . . 51144 1 8 . 1 1 28 28 U H3 H 1 8 . . 0.7 668 . . . . 51144 1 9 . 1 1 30 30 G H1 H 1 7.2 . . 0.6 713 . . . . 51144 1 10 . 1 1 31 31 G H1 H 1 7.8 . . 0.7 739 . . . . 51144 1 11 . 1 1 32 32 G H1 H 1 8.6 . . 0.8 765 . . . . 51144 1 12 . 1 1 50 50 G H1 H 1 7.5 . . 0.7 1204 . . . . 51144 1 13 . 1 1 51 51 U H3 H 1 9 . . 0.8 1230 . . . . 51144 1 14 . 1 1 53 53 G H1 H 1 7.4 . . 0.7 1275 . . . . 51144 1 15 . 1 1 54 54 G H1 H 1 9.1 . . 0.8 1301 . . . . 51144 1 16 . 1 1 55 55 5MU H3 H 1 8.4 . . 0.7 1327 . . . . 51144 1 17 . 1 1 56 56 PSU H1 H 1 7.8 . . 0.7 1351 . . . . 51144 1 18 . 1 1 56 56 PSU H3 H 1 9.1 . . 0.8 1352 . . . . 51144 1 19 . 1 1 64 64 G H1 H 1 7.5 . . 0.6 1542 . . . . 51144 1 20 . 1 1 65 65 G H1 H 1 7 . . 0.7 1568 . . . . 51144 1 21 . 1 1 71 71 G H1 H 1 7.4 . . 0.6 1709 . . . . 51144 1 stop_ save_ ######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_rates_2 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_2 _H_exch_rate_list.Entry_ID 51144 _H_exch_rate_list.ID 2 _H_exch_rate_list.Name 'H exchange' _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'Temperature: 290.' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 12 '2D water selective inversion recovery' . . . 51144 2 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 4 $software_4 . . 51144 2 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 2 2 G H1 H 1 8 . . 0.6 24 . . . . 51144 2 2 . 1 1 4 4 G H1 H 1 8.1 . . 0.6 73 . . . . 51144 2 3 . 1 1 5 5 G H1 H 1 7.3 . . 0.5 99 . . . . 51144 2 4 . 1 1 6 6 G H1 H 1 7.7 . . 0.5 125 . . . . 51144 2 5 . 1 1 7 7 G H1 H 1 7.8 . . 0.5 151 . . . . 51144 2 6 . 1 1 12 12 G H1 H 1 8.1 . . 0.6 277 . . . . 51144 2 7 . 1 1 23 23 G H1 H 1 8.1 . . 0.6 548 . . . . 51144 2 8 . 1 1 28 28 U H3 H 1 6.8 . . 0.4 668 . . . . 51144 2 9 . 1 1 30 30 G H1 H 1 7.5 . . 0.5 713 . . . . 51144 2 10 . 1 1 31 31 G H1 H 1 8.4 . . 0.6 739 . . . . 51144 2 11 . 1 1 32 32 G H1 H 1 7.7 . . 0.5 765 . . . . 51144 2 12 . 1 1 50 50 G H1 H 1 7 . . 0.5 1204 . . . . 51144 2 13 . 1 1 51 51 U H3 H 1 8 . . 0.6 1230 . . . . 51144 2 14 . 1 1 53 53 G H1 H 1 6.9 . . 0.5 1275 . . . . 51144 2 15 . 1 1 54 54 G H1 H 1 7.6 . . 0.5 1301 . . . . 51144 2 16 . 1 1 55 55 5MU H3 H 1 9.1 . . 0.6 1327 . . . . 51144 2 17 . 1 1 56 56 PSU H1 H 1 12.6 . . 1.6 1351 . . . . 51144 2 18 . 1 1 56 56 PSU H3 H 1 8.2 . . 0.5 1352 . . . . 51144 2 19 . 1 1 64 64 G H1 H 1 6.9 . . 0.4 1542 . . . . 51144 2 20 . 1 1 65 65 G H1 H 1 8.3 . . 0.6 1568 . . . . 51144 2 21 . 1 1 71 71 G H1 H 1 7.3 . . 0.5 1709 . . . . 51144 2 stop_ save_ ######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_rates_3 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_3 _H_exch_rate_list.Entry_ID 51144 _H_exch_rate_list.ID 3 _H_exch_rate_list.Name 'H exchange' _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'Temperature: 297.' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 12 '2D water selective inversion recovery' . . . 51144 3 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 4 $software_4 . . 51144 3 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 2 2 G H1 H 1 6.6 . . 0.3 24 . . . . 51144 3 2 . 1 1 4 4 G H1 H 1 7.4 . . 0.4 73 . . . . 51144 3 3 . 1 1 5 5 G H1 H 1 6.6 . . 0.4 99 . . . . 51144 3 4 . 1 1 6 6 G H1 H 1 6.7 . . 0.4 125 . . . . 51144 3 5 . 1 1 7 7 G H1 H 1 6.2 . . 0.3 151 . . . . 51144 3 6 . 1 1 12 12 G H1 H 1 8.4 . . 0.5 277 . . . . 51144 3 7 . 1 1 23 23 G H1 H 1 7.4 . . 0.4 548 . . . . 51144 3 8 . 1 1 28 28 U H3 H 1 5.1 . . 0.3 668 . . . . 51144 3 9 . 1 1 30 30 G H1 H 1 6.3 . . 0.3 713 . . . . 51144 3 10 . 1 1 31 31 G H1 H 1 7.9 . . 0.4 739 . . . . 51144 3 11 . 1 1 32 32 G H1 H 1 6.7 . . 0.4 765 . . . . 51144 3 12 . 1 1 50 50 G H1 H 1 6.4 . . 0.3 1204 . . . . 51144 3 13 . 1 1 51 51 U H3 H 1 6.6 . . 0.3 1230 . . . . 51144 3 14 . 1 1 53 53 G H1 H 1 6.5 . . 0.3 1275 . . . . 51144 3 15 . 1 1 54 54 G H1 H 1 7.7 . . 0.4 1301 . . . . 51144 3 16 . 1 1 55 55 5MU H3 H 1 6 . . 0.3 1327 . . . . 51144 3 17 . 1 1 56 56 PSU H1 H 1 7.8 . . 0.4 1351 . . . . 51144 3 18 . 1 1 56 56 PSU H3 H 1 7.7 . . 0.4 1352 . . . . 51144 3 19 . 1 1 64 64 G H1 H 1 6 . . 0.3 1542 . . . . 51144 3 20 . 1 1 65 65 G H1 H 1 7.8 . . 0.4 1568 . . . . 51144 3 21 . 1 1 71 71 G H1 H 1 6.7 . . 0.4 1709 . . . . 51144 3 stop_ save_ ######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_rates_4 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_4 _H_exch_rate_list.Entry_ID 51144 _H_exch_rate_list.ID 4 _H_exch_rate_list.Name 'H exchange' _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'Temperature: 304.' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 12 '2D water selective inversion recovery' . . . 51144 4 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 4 $software_4 . . 51144 4 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 2 2 G H1 H 1 6.2 . . 0.6 24 . . . . 51144 4 2 . 1 1 4 4 G H1 H 1 6.9 . . 0.8 73 . . . . 51144 4 3 . 1 1 5 5 G H1 H 1 5.9 . . 0.7 99 . . . . 51144 4 4 . 1 1 6 6 G H1 H 1 6.2 . . 0.6 125 . . . . 51144 4 5 . 1 1 7 7 G H1 H 1 5.2 . . 0.5 151 . . . . 51144 4 6 . 1 1 12 12 G H1 H 1 5.5 . . 0.5 277 . . . . 51144 4 7 . 1 1 23 23 G H1 H 1 6.9 . . 0.8 548 . . . . 51144 4 8 . 1 1 28 28 U H3 H 1 5.6 . . 0.5 668 . . . . 51144 4 9 . 1 1 30 30 G H1 H 1 6.1 . . 0.6 713 . . . . 51144 4 10 . 1 1 31 31 G H1 H 1 6.9 . . 0.7 739 . . . . 51144 4 11 . 1 1 32 32 G H1 H 1 6.2 . . 0.6 765 . . . . 51144 4 12 . 1 1 50 50 G H1 H 1 7.2 . . 0.8 1204 . . . . 51144 4 13 . 1 1 51 51 U H3 H 1 6.2 . . 0.6 1230 . . . . 51144 4 14 . 1 1 53 53 G H1 H 1 5.9 . . 0.6 1275 . . . . 51144 4 15 . 1 1 54 54 G H1 H 1 7.1 . . 0.7 1301 . . . . 51144 4 16 . 1 1 55 55 5MU H3 H 1 5 . . 0.4 1327 . . . . 51144 4 17 . 1 1 56 56 PSU H1 H 1 8.5 . . 0.7 1351 . . . . 51144 4 18 . 1 1 56 56 PSU H3 H 1 8.1 . . 0.7 1352 . . . . 51144 4 19 . 1 1 64 64 G H1 H 1 5.4 . . 0.5 1542 . . . . 51144 4 20 . 1 1 65 65 G H1 H 1 9.2 . . 1 1568 . . . . 51144 4 21 . 1 1 71 71 G H1 H 1 6.1 . . 0.6 1709 . . . . 51144 4 stop_ save_ ######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_rates_5 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_5 _H_exch_rate_list.Entry_ID 51144 _H_exch_rate_list.ID 5 _H_exch_rate_list.Name 'H exchange' _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'Temperature: 311.' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 12 '2D water selective inversion recovery' . . . 51144 5 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 4 $software_4 . . 51144 5 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 2 2 G H1 H 1 7.3 . . 0.5 24 . . . . 51144 5 2 . 1 1 4 4 G H1 H 1 6.9 . . 0.8 73 . . . . 51144 5 3 . 1 1 5 5 G H1 H 1 5.9 . . 0.7 99 . . . . 51144 5 4 . 1 1 6 6 G H1 H 1 6.2 . . 0.6 125 . . . . 51144 5 5 . 1 1 7 7 G H1 H 1 5.2 . . 0.5 151 . . . . 51144 5 6 . 1 1 12 12 G H1 H 1 5.5 . . 0.5 277 . . . . 51144 5 7 . 1 1 23 23 G H1 H 1 6.9 . . 0.8 548 . . . . 51144 5 8 . 1 1 28 28 U H3 H 1 5.6 . . 0.5 668 . . . . 51144 5 9 . 1 1 30 30 G H1 H 1 6.1 . . 0.6 713 . . . . 51144 5 10 . 1 1 31 31 G H1 H 1 6.9 . . 0.7 739 . . . . 51144 5 11 . 1 1 32 32 G H1 H 1 6.2 . . 0.6 765 . . . . 51144 5 12 . 1 1 50 50 G H1 H 1 7.2 . . 0.8 1204 . . . . 51144 5 13 . 1 1 51 51 U H3 H 1 6.2 . . 0.6 1230 . . . . 51144 5 14 . 1 1 53 53 G H1 H 1 5.9 . . 0.6 1275 . . . . 51144 5 15 . 1 1 54 54 G H1 H 1 7.1 . . 0.7 1301 . . . . 51144 5 16 . 1 1 55 55 5MU H3 H 1 5 . . 0.4 1327 . . . . 51144 5 17 . 1 1 56 56 PSU H1 H 1 8.5 . . 0.7 1351 . . . . 51144 5 18 . 1 1 56 56 PSU H3 H 1 8.1 . . 0.7 1352 . . . . 51144 5 19 . 1 1 64 64 G H1 H 1 5.4 . . 0.5 1542 . . . . 51144 5 20 . 1 1 65 65 G H1 H 1 9.2 . . 1 1568 . . . . 51144 5 21 . 1 1 71 71 G H1 H 1 6.1 . . 0.6 1709 . . . . 51144 5 stop_ save_ ######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_rates_6 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_6 _H_exch_rate_list.Entry_ID 51144 _H_exch_rate_list.ID 6 _H_exch_rate_list.Name 'H exchange' _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'Temperature: 318.' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 12 '2D water selective inversion recovery' . . . 51144 6 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 4 $software_4 . . 51144 6 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 2 2 G H1 H 1 11.3 . . 1 24 . . . . 51144 6 2 . 1 1 4 4 G H1 H 1 5.9 . . 0.5 73 . . . . 51144 6 3 . 1 1 5 5 G H1 H 1 5.4 . . 0.5 99 . . . . 51144 6 4 . 1 1 6 6 G H1 H 1 6.3 . . 0.5 125 . . . . 51144 6 5 . 1 1 7 7 G H1 H 1 5.4 . . 0.5 151 . . . . 51144 6 6 . 1 1 12 12 G H1 H 1 10.5 . . 0.9 277 . . . . 51144 6 7 . 1 1 23 23 G H1 H 1 5.9 . . 0.5 548 . . . . 51144 6 8 . 1 1 28 28 U H3 H 1 2 . . 0.2 668 . . . . 51144 6 9 . 1 1 30 30 G H1 H 1 10.6 . . 0.9 713 . . . . 51144 6 10 . 1 1 31 31 G H1 H 1 8.9 . . 0.8 739 . . . . 51144 6 11 . 1 1 32 32 G H1 H 1 6.3 . . 0.5 765 . . . . 51144 6 12 . 1 1 50 50 G H1 H 1 6.7 . . 0.6 1204 . . . . 51144 6 13 . 1 1 51 51 U H3 H 1 11.3 . . 1 1230 . . . . 51144 6 14 . 1 1 53 53 G H1 H 1 6.5 . . 0.6 1275 . . . . 51144 6 15 . 1 1 54 54 G H1 H 1 6.3 . . 0.5 1301 . . . . 51144 6 16 . 1 1 55 55 5MU H3 H 1 6 . . 0.4 1327 . . . . 51144 6 17 . 1 1 56 56 PSU H1 H 1 70 . . 10 1351 . . . . 51144 6 18 . 1 1 56 56 PSU H3 H 1 17.1 . . 1.5 1352 . . . . 51144 6 19 . 1 1 64 64 G H1 H 1 8.7 . . 0.8 1542 . . . . 51144 6 20 . 1 1 65 65 G H1 H 1 9.9 . . 0.9 1568 . . . . 51144 6 21 . 1 1 71 71 G H1 H 1 4.6 . . 0.4 1709 . . . . 51144 6 stop_ save_ ######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_rates_7 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_7 _H_exch_rate_list.Entry_ID 51144 _H_exch_rate_list.ID 7 _H_exch_rate_list.Name 'H exchange' _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'Temperature: 320.' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 12 '2D water selective inversion recovery' . . . 51144 7 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 4 $software_4 . . 51144 7 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 2 2 G H1 H 1 11.3 . . 1 24 . . . . 51144 7 2 . 1 1 4 4 G H1 H 1 5.9 . . 0.5 73 . . . . 51144 7 3 . 1 1 5 5 G H1 H 1 5.4 . . 0.5 99 . . . . 51144 7 4 . 1 1 6 6 G H1 H 1 6.3 . . 0.5 125 . . . . 51144 7 5 . 1 1 7 7 G H1 H 1 5.4 . . 0.5 151 . . . . 51144 7 6 . 1 1 12 12 G H1 H 1 10.5 . . 0.9 277 . . . . 51144 7 7 . 1 1 23 23 G H1 H 1 5.9 . . 0.5 548 . . . . 51144 7 8 . 1 1 28 28 U H3 H 1 1.5 . . 0.1 668 . . . . 51144 7 9 . 1 1 30 30 G H1 H 1 10.6 . . 0.9 713 . . . . 51144 7 10 . 1 1 31 31 G H1 H 1 8.9 . . 0.8 739 . . . . 51144 7 11 . 1 1 32 32 G H1 H 1 6.3 . . 0.5 765 . . . . 51144 7 12 . 1 1 50 50 G H1 H 1 6.7 . . 0.6 1204 . . . . 51144 7 13 . 1 1 51 51 U H3 H 1 11.3 . . 1 1230 . . . . 51144 7 14 . 1 1 53 53 G H1 H 1 6.5 . . 0.6 1275 . . . . 51144 7 15 . 1 1 54 54 G H1 H 1 6.2 . . 0.5 1301 . . . . 51144 7 16 . 1 1 55 55 5MU H3 H 1 6 . . 0.4 1327 . . . . 51144 7 17 . 1 1 56 56 PSU H1 H 1 24 . . 2 1351 . . . . 51144 7 18 . 1 1 56 56 PSU H3 H 1 19.2 . . 1.5 1352 . . . . 51144 7 19 . 1 1 64 64 G H1 H 1 8.7 . . 0.8 1542 . . . . 51144 7 20 . 1 1 65 65 G H1 H 1 9.9 . . 0.9 1568 . . . . 51144 7 21 . 1 1 71 71 G H1 H 1 4.6 . . 0.4 1709 . . . . 51144 7 stop_ save_ ######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_rates_8 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_8 _H_exch_rate_list.Entry_ID 51144 _H_exch_rate_list.ID 8 _H_exch_rate_list.Name 'H exchange' _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'Temperature: 323.' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 12 '2D water selective inversion recovery' . . . 51144 8 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 4 $software_4 . . 51144 8 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 2 2 G H1 H 1 33.4 . . 12.6 24 . . . . 51144 8 2 . 1 1 4 4 G H1 H 1 6.2 . . 1.8 73 . . . . 51144 8 3 . 1 1 5 5 G H1 H 1 5.2 . . 1.5 99 . . . . 51144 8 4 . 1 1 6 6 G H1 H 1 6.7 . . 2 125 . . . . 51144 8 5 . 1 1 7 7 G H1 H 1 5.8 . . 1.6 151 . . . . 51144 8 6 . 1 1 12 12 G H1 H 1 8.7 . . 1.2 277 . . . . 51144 8 7 . 1 1 23 23 G H1 H 1 6.2 . . 1.8 548 . . . . 51144 8 8 . 1 1 30 30 G H1 H 1 77.9 . . 13.3 713 . . . . 51144 8 9 . 1 1 31 31 G H1 H 1 34.3 . . 12.5 739 . . . . 51144 8 10 . 1 1 32 32 G H1 H 1 6.7 . . 2 765 . . . . 51144 8 11 . 1 1 50 50 G H1 H 1 13.2 . . 4.3 1204 . . . . 51144 8 12 . 1 1 51 51 U H3 H 1 33.4 . . 12.6 1230 . . . . 51144 8 13 . 1 1 53 53 G H1 H 1 7.9 . . 2 1275 . . . . 51144 8 14 . 1 1 54 54 G H1 H 1 5.5 . . 1.5 1301 . . . . 51144 8 15 . 1 1 55 55 5MU H3 H 1 55.1 . . 4.6 1327 . . . . 51144 8 16 . 1 1 56 56 PSU H3 H 1 90 . . 20 1352 . . . . 51144 8 17 . 1 1 64 64 G H1 H 1 5.9 . . 1.5 1542 . . . . 51144 8 18 . 1 1 65 65 G H1 H 1 49.7 . . 15.3 1568 . . . . 51144 8 19 . 1 1 71 71 G H1 H 1 7.9 . . 2.1 1709 . . . . 51144 8 stop_ save_ ######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_rates_9 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates_9 _H_exch_rate_list.Entry_ID 51144 _H_exch_rate_list.ID 9 _H_exch_rate_list.Name 'H exchange' _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details 'Temperature: 328.' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 12 '2D water selective inversion recovery' . . . 51144 9 stop_ loop_ _H_exch_rate_software.Software_ID _H_exch_rate_software.Software_label _H_exch_rate_software.Method_ID _H_exch_rate_software.Method_label _H_exch_rate_software.Entry_ID _H_exch_rate_software.H_exch_rate_list_ID 4 $software_4 . . 51144 9 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 2 2 G H1 H 1 7.6 . . 1.4 24 . . . . 51144 9 2 . 1 1 4 4 G H1 H 1 7.3 . . 1.2 73 . . . . 51144 9 3 . 1 1 5 5 G H1 H 1 41 . . 10 99 . . . . 51144 9 4 . 1 1 6 6 G H1 H 1 7.6 . . 0.4 125 . . . . 51144 9 5 . 1 1 7 7 G H1 H 1 7.3 . . 1.2 151 . . . . 51144 9 6 . 1 1 12 12 G H1 H 1 25 . . 5 277 . . . . 51144 9 7 . 1 1 23 23 G H1 H 1 7.3 . . 1.2 548 . . . . 51144 9 8 . 1 1 31 31 G H1 H 1 43 . . 12 739 . . . . 51144 9 9 . 1 1 32 32 G H1 H 1 7.6 . . 0.4 765 . . . . 51144 9 10 . 1 1 50 50 G H1 H 1 8.6 . . 1.6 1204 . . . . 51144 9 11 . 1 1 51 51 U H3 H 1 7.6 . . 1.4 1230 . . . . 51144 9 12 . 1 1 53 53 G H1 H 1 32 . . 8 1275 . . . . 51144 9 13 . 1 1 54 54 G H1 H 1 8.6 . . 1.6 1301 . . . . 51144 9 14 . 1 1 56 56 PSU H3 H 1 90 . . 20 1352 . . . . 51144 9 15 . 1 1 64 64 G H1 H 1 11 . . 2 1542 . . . . 51144 9 16 . 1 1 65 65 G H1 H 1 90 . . 20 1568 . . . . 51144 9 17 . 1 1 71 71 G H1 H 1 28 . . 6 1709 . . . . 51144 9 stop_ save_