data_30432 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30432 _Entry.Title ; CSP2-d10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-12 _Entry.Accession_date 2018-03-12 _Entry.Last_release_date 2018-07-17 _Entry.Original_release_date 2018-07-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30432 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Yang Y. . . . 30432 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CSP . 30432 'SIGNALING PROTEIN' . 30432 pneumococcus . 30432 'quorum sensing' . 30432 'signaling molecule' . 30432 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30432 spectral_peak_list 1 30432 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 31 30432 '15N chemical shifts' 14 30432 '1H chemical shifts' 116 30432 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-01-10 2018-03-12 update BMRB 'update entry citation' 30432 1 . . 2018-08-22 2018-03-12 original author 'original release' 30432 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30433 CSP2-E1Ad10 30432 BMRB 30434 CSP2-l14 30432 PDB 6COT . 30432 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30432 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.8b00653 _Citation.PubMed_ID 30125091 _Citation.Full_citation . _Citation.Title ; Structural Characterization of Competence-Stimulating Peptide Analogues Reveals Key Features for ComD1 and ComD2 Receptor Binding in Streptococcus pneumoniae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 57 _Citation.Journal_issue 36 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5359 _Citation.Page_last 5369 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Y. Yang Y. . . . 30432 1 2 G. Cornilescu G. . . . 30432 1 3 Y. Tal-Gan Y. . . . 30432 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30432 _Assembly.ID 1 _Assembly.Name 'Competence-stimulating peptide type 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30432 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30432 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Competence-stimulating peptide type 2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EMRISRIILDFLFLRKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 25-41' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2183.726 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CSP-2 na 30432 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLU . 30432 1 2 . MET . 30432 1 3 . ARG . 30432 1 4 . ILE . 30432 1 5 . SER . 30432 1 6 . ARG . 30432 1 7 . ILE . 30432 1 8 . ILE . 30432 1 9 . LEU . 30432 1 10 . ASP . 30432 1 11 . PHE . 30432 1 12 . LEU . 30432 1 13 . PHE . 30432 1 14 . LEU . 30432 1 15 . ARG . 30432 1 16 . LYS . 30432 1 17 . LYS . 30432 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLU 1 1 30432 1 . MET 2 2 30432 1 . ARG 3 3 30432 1 . ILE 4 4 30432 1 . SER 5 5 30432 1 . ARG 6 6 30432 1 . ILE 7 7 30432 1 . ILE 8 8 30432 1 . LEU 9 9 30432 1 . ASP 10 10 30432 1 . PHE 11 11 30432 1 . LEU 12 12 30432 1 . PHE 13 13 30432 1 . LEU 14 14 30432 1 . ARG 15 15 30432 1 . LYS 16 16 30432 1 . LYS 17 17 30432 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30432 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . 30432 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30432 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 30432 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30432 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 mM D DPC, 1.9 mM competence stimulating peptide type 2 mutant-CSP2d10, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DPC D . . . . . . 250 . . mM . . . . 30432 1 2 'competence stimulating peptide type 2 mutant-CSP2d10' 'natural abundance' . . 1 $entity_1 . . 1.9 . . mM . . . . 30432 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30432 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 30432 1 pH 7.4 . pH 30432 1 pressure 1 . atm 30432 1 temperature 298 . K 30432 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30432 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30432 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30432 1 'structure calculation' 30432 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30432 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30432 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30432 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30432 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30432 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 900 . . . 30432 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30432 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30432 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30432 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30432 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30432 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30432 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30432 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 30432 1 H 1 water protons . . . . ppm 4.771 na direct 1.000000000 . . . . . 30432 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 30432 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30432 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H COSY' . . . 30432 1 2 '2D 1H-1H TOCSY' . . . 30432 1 3 '2D 1H-1H NOESY' . . . 30432 1 4 '2D 1H-15N HSQC' . . . 30432 1 5 '2D 1H-13C HSQC' . . . 30432 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET HA H 1 4.482 0.00 . . . . . . A 2 MET HA . 30432 1 2 . 1 1 2 2 MET HB2 H 1 2.028 0.00 . . . . . . A 2 MET HB2 . 30432 1 3 . 1 1 2 2 MET HG2 H 1 2.562 0.00 . . . . . . A 2 MET HG2 . 30432 1 4 . 1 1 2 2 MET HG3 H 1 2.481 0.00 . . . . . . A 2 MET HG3 . 30432 1 5 . 1 1 2 2 MET CA C 13 53.084 0.00 . . . . . . A 2 MET CA . 30432 1 6 . 1 1 2 2 MET CB C 13 30.964 0.00 . . . . . . A 2 MET CB . 30432 1 7 . 1 1 3 3 ARG H H 1 8.637 0.00 . . . . . . A 3 ARG H . 30432 1 8 . 1 1 3 3 ARG HA H 1 4.410 0.00 . . . . . . A 3 ARG HA . 30432 1 9 . 1 1 3 3 ARG HB2 H 1 1.933 0.00 . . . . . . A 3 ARG HB2 . 30432 1 10 . 1 1 3 3 ARG HB3 H 1 1.792 0.00 . . . . . . A 3 ARG HB3 . 30432 1 11 . 1 1 3 3 ARG HG2 H 1 1.667 0.00 . . . . . . A 3 ARG HG2 . 30432 1 12 . 1 1 3 3 ARG HG3 H 1 1.573 0.00 . . . . . . A 3 ARG HG3 . 30432 1 13 . 1 1 3 3 ARG HD2 H 1 3.181 0.00 . . . . . . A 3 ARG HD2 . 30432 1 14 . 1 1 3 3 ARG HE H 1 7.452 0.00 . . . . . . A 3 ARG HE . 30432 1 15 . 1 1 3 3 ARG CA C 13 53.865 0.00 . . . . . . A 3 ARG CA . 30432 1 16 . 1 1 3 3 ARG CB C 13 27.917 0.00 . . . . . . A 3 ARG CB . 30432 1 17 . 1 1 3 3 ARG N N 15 124.106 0.00 . . . . . . A 3 ARG N . 30432 1 18 . 1 1 4 4 ILE H H 1 8.981 0.00 . . . . . . A 4 ILE H . 30432 1 19 . 1 1 4 4 ILE HA H 1 3.775 0.00 . . . . . . A 4 ILE HA . 30432 1 20 . 1 1 4 4 ILE HB H 1 1.946 0.00 . . . . . . A 4 ILE HB . 30432 1 21 . 1 1 4 4 ILE HG12 H 1 1.570 0.00 . . . . . . A 4 ILE HG12 . 30432 1 22 . 1 1 4 4 ILE HG13 H 1 1.245 0.00 . . . . . . A 4 ILE HG13 . 30432 1 23 . 1 1 4 4 ILE HG21 H 1 0.884 0.00 . . . . . . A 4 ILE HG21 . 30432 1 24 . 1 1 4 4 ILE HG22 H 1 0.884 0.00 . . . . . . A 4 ILE HG22 . 30432 1 25 . 1 1 4 4 ILE HG23 H 1 0.884 0.00 . . . . . . A 4 ILE HG23 . 30432 1 26 . 1 1 4 4 ILE HD11 H 1 0.821 0.00 . . . . . . A 4 ILE HD11 . 30432 1 27 . 1 1 4 4 ILE HD12 H 1 0.821 0.00 . . . . . . A 4 ILE HD12 . 30432 1 28 . 1 1 4 4 ILE HD13 H 1 0.821 0.00 . . . . . . A 4 ILE HD13 . 30432 1 29 . 1 1 4 4 ILE CA C 13 61.248 0.00 . . . . . . A 4 ILE CA . 30432 1 30 . 1 1 4 4 ILE CB C 13 34.861 0.00 . . . . . . A 4 ILE CB . 30432 1 31 . 1 1 4 4 ILE N N 15 122.382 0.00 . . . . . . A 4 ILE N . 30432 1 32 . 1 1 5 5 SER H H 1 8.550 0.00 . . . . . . A 5 SER H . 30432 1 33 . 1 1 5 5 SER HA H 1 3.872 0.00 . . . . . . A 5 SER HA . 30432 1 34 . 1 1 5 5 SER HB2 H 1 3.827 0.00 . . . . . . A 5 SER HB2 . 30432 1 35 . 1 1 5 5 SER HB3 H 1 3.815 0.00 . . . . . . A 5 SER HB3 . 30432 1 36 . 1 1 5 5 SER CA C 13 59.270 0.00 . . . . . . A 5 SER CA . 30432 1 37 . 1 1 5 5 SER CB C 13 59.548 0.00 . . . . . . A 5 SER CB . 30432 1 38 . 1 1 5 5 SER N N 15 115.543 0.00 . . . . . . A 5 SER N . 30432 1 39 . 1 1 6 6 ARG H H 1 7.225 0.00 . . . . . . A 6 ARG H . 30432 1 40 . 1 1 6 6 ARG HA H 1 4.055 0.00 . . . . . . A 6 ARG HA . 30432 1 41 . 1 1 6 6 ARG HB2 H 1 1.996 0.00 . . . . . . A 6 ARG HB2 . 30432 1 42 . 1 1 6 6 ARG HB3 H 1 1.916 0.00 . . . . . . A 6 ARG HB3 . 30432 1 43 . 1 1 6 6 ARG HG2 H 1 1.687 0.00 . . . . . . A 6 ARG HG2 . 30432 1 44 . 1 1 6 6 ARG HD2 H 1 3.194 0.00 . . . . . . A 6 ARG HD2 . 30432 1 45 . 1 1 6 6 ARG HE H 1 7.657 0.00 . . . . . . A 6 ARG HE . 30432 1 46 . 1 1 6 6 ARG CB C 13 27.114 0.00 . . . . . . A 6 ARG CB . 30432 1 47 . 1 1 7 7 ILE H H 1 7.739 0.00 . . . . . . A 7 ILE H . 30432 1 48 . 1 1 7 7 ILE HA H 1 3.801 0.00 . . . . . . A 7 ILE HA . 30432 1 49 . 1 1 7 7 ILE HB H 1 1.984 0.00 . . . . . . A 7 ILE HB . 30432 1 50 . 1 1 7 7 ILE HG12 H 1 1.161 0.00 . . . . . . A 7 ILE HG12 . 30432 1 51 . 1 1 7 7 ILE HG21 H 1 0.864 0.00 . . . . . . A 7 ILE HG21 . 30432 1 52 . 1 1 7 7 ILE HG22 H 1 0.864 0.00 . . . . . . A 7 ILE HG22 . 30432 1 53 . 1 1 7 7 ILE HG23 H 1 0.864 0.00 . . . . . . A 7 ILE HG23 . 30432 1 54 . 1 1 7 7 ILE HD11 H 1 0.825 0.00 . . . . . . A 7 ILE HD11 . 30432 1 55 . 1 1 7 7 ILE HD12 H 1 0.825 0.00 . . . . . . A 7 ILE HD12 . 30432 1 56 . 1 1 7 7 ILE HD13 H 1 0.825 0.00 . . . . . . A 7 ILE HD13 . 30432 1 57 . 1 1 7 7 ILE CA C 13 61.713 0.00 . . . . . . A 7 ILE CA . 30432 1 58 . 1 1 7 7 ILE CB C 13 35.411 0.00 . . . . . . A 7 ILE CB . 30432 1 59 . 1 1 7 7 ILE N N 15 120.170 0.00 . . . . . . A 7 ILE N . 30432 1 60 . 1 1 8 8 ILE H H 1 7.856 0.00 . . . . . . A 8 ILE H . 30432 1 61 . 1 1 8 8 ILE HA H 1 3.675 0.00 . . . . . . A 8 ILE HA . 30432 1 62 . 1 1 8 8 ILE HB H 1 1.855 0.00 . . . . . . A 8 ILE HB . 30432 1 63 . 1 1 8 8 ILE HG12 H 1 1.757 0.00 . . . . . . A 8 ILE HG12 . 30432 1 64 . 1 1 8 8 ILE HG13 H 1 1.031 0.00 . . . . . . A 8 ILE HG13 . 30432 1 65 . 1 1 8 8 ILE HD11 H 1 0.768 0.00 . . . . . . A 8 ILE HD11 . 30432 1 66 . 1 1 8 8 ILE HD12 H 1 0.768 0.00 . . . . . . A 8 ILE HD12 . 30432 1 67 . 1 1 8 8 ILE HD13 H 1 0.768 0.00 . . . . . . A 8 ILE HD13 . 30432 1 68 . 1 1 8 8 ILE CA C 13 62.584 0.00 . . . . . . A 8 ILE CA . 30432 1 69 . 1 1 8 8 ILE CB C 13 35.361 0.00 . . . . . . A 8 ILE CB . 30432 1 70 . 1 1 8 8 ILE N N 15 118.424 0.00 . . . . . . A 8 ILE N . 30432 1 71 . 1 1 9 9 LEU H H 1 8.107 0.00 . . . . . . A 9 LEU H . 30432 1 72 . 1 1 9 9 LEU HA H 1 3.886 0.00 . . . . . . A 9 LEU HA . 30432 1 73 . 1 1 9 9 LEU HB2 H 1 1.787 0.00 . . . . . . A 9 LEU HB2 . 30432 1 74 . 1 1 9 9 LEU HG H 1 1.501 0.00 . . . . . . A 9 LEU HG . 30432 1 75 . 1 1 9 9 LEU HD11 H 1 0.861 0.00 . . . . . . A 9 LEU HD11 . 30432 1 76 . 1 1 9 9 LEU HD12 H 1 0.861 0.00 . . . . . . A 9 LEU HD12 . 30432 1 77 . 1 1 9 9 LEU HD13 H 1 0.861 0.00 . . . . . . A 9 LEU HD13 . 30432 1 78 . 1 1 9 9 LEU HD21 H 1 0.780 0.00 . . . . . . A 9 LEU HD21 . 30432 1 79 . 1 1 9 9 LEU HD22 H 1 0.780 0.00 . . . . . . A 9 LEU HD22 . 30432 1 80 . 1 1 9 9 LEU HD23 H 1 0.780 0.00 . . . . . . A 9 LEU HD23 . 30432 1 81 . 1 1 9 9 LEU CA C 13 56.011 0.00 . . . . . . A 9 LEU CA . 30432 1 82 . 1 1 9 9 LEU CB C 13 38.794 0.00 . . . . . . A 9 LEU CB . 30432 1 83 . 1 1 9 9 LEU N N 15 118.871 0.00 . . . . . . A 9 LEU N . 30432 1 84 . 1 1 10 10 ASP H H 1 8.419 0.00 . . . . . . A 10 DAS H . 30432 1 85 . 1 1 10 10 ASP N N 15 114.930 0.00 . . . . . . A 10 DAS N . 30432 1 86 . 1 1 10 10 ASP CA C 13 51.926 0.00 . . . . . . A 10 DAS CA . 30432 1 87 . 1 1 10 10 ASP CB C 13 37.246 0.00 . . . . . . A 10 DAS CB . 30432 1 88 . 1 1 10 10 ASP HA H 1 4.248 0.00 . . . . . . A 10 DAS HA . 30432 1 89 . 1 1 10 10 ASP HB2 H 1 3.012 0.00 . . . . . . A 10 DAS HB2 . 30432 1 90 . 1 1 10 10 ASP HB3 H 1 2.613 0.00 . . . . . . A 10 DAS HB3 . 30432 1 91 . 1 1 11 11 PHE H H 1 7.685 0.00 . . . . . . A 11 PHE H . 30432 1 92 . 1 1 11 11 PHE HA H 1 4.270 0.00 . . . . . . A 11 PHE HA . 30432 1 93 . 1 1 11 11 PHE HB2 H 1 3.199 0.00 . . . . . . A 11 PHE HB2 . 30432 1 94 . 1 1 11 11 PHE HE2 H 1 7.187 0.00 . . . . . . A 11 PHE HE2 . 30432 1 95 . 1 1 11 11 PHE CA C 13 58.327 0.00 . . . . . . A 11 PHE CA . 30432 1 96 . 1 1 11 11 PHE CB C 13 37.103 0.00 . . . . . . A 11 PHE CB . 30432 1 97 . 1 1 11 11 PHE N N 15 118.861 0.00 . . . . . . A 11 PHE N . 30432 1 98 . 1 1 12 12 LEU H H 1 8.087 0.00 . . . . . . A 12 LEU H . 30432 1 99 . 1 1 12 12 LEU HA H 1 3.793 0.00 . . . . . . A 12 LEU HA . 30432 1 100 . 1 1 12 12 LEU HB2 H 1 1.681 0.00 . . . . . . A 12 LEU HB2 . 30432 1 101 . 1 1 12 12 LEU HB3 H 1 1.102 0.00 . . . . . . A 12 LEU HB3 . 30432 1 102 . 1 1 12 12 LEU HG H 1 1.872 0.00 . . . . . . A 12 LEU HG . 30432 1 103 . 1 1 12 12 LEU HD11 H 1 0.861 0.00 . . . . . . A 12 LEU HD11 . 30432 1 104 . 1 1 12 12 LEU HD12 H 1 0.861 0.00 . . . . . . A 12 LEU HD12 . 30432 1 105 . 1 1 12 12 LEU HD13 H 1 0.861 0.00 . . . . . . A 12 LEU HD13 . 30432 1 106 . 1 1 12 12 LEU HD21 H 1 0.783 0.00 . . . . . . A 12 LEU HD21 . 30432 1 107 . 1 1 12 12 LEU HD22 H 1 0.783 0.00 . . . . . . A 12 LEU HD22 . 30432 1 108 . 1 1 12 12 LEU HD23 H 1 0.783 0.00 . . . . . . A 12 LEU HD23 . 30432 1 109 . 1 1 12 12 LEU CA C 13 54.549 0.00 . . . . . . A 12 LEU CA . 30432 1 110 . 1 1 12 12 LEU CB C 13 39.714 0.00 . . . . . . A 12 LEU CB . 30432 1 111 . 1 1 12 12 LEU N N 15 117.158 0.00 . . . . . . A 12 LEU N . 30432 1 112 . 1 1 13 13 PHE H H 1 8.152 0.00 . . . . . . A 13 PHE H . 30432 1 113 . 1 1 13 13 PHE HA H 1 4.488 0.00 . . . . . . A 13 PHE HA . 30432 1 114 . 1 1 13 13 PHE HB2 H 1 3.239 0.00 . . . . . . A 13 PHE HB2 . 30432 1 115 . 1 1 13 13 PHE HB3 H 1 3.022 0.00 . . . . . . A 13 PHE HB3 . 30432 1 116 . 1 1 13 13 PHE HE2 H 1 7.342 0.00 . . . . . . A 13 PHE HE2 . 30432 1 117 . 1 1 13 13 PHE HZ H 1 7.245 0.00 . . . . . . A 13 PHE HZ . 30432 1 118 . 1 1 13 13 PHE CA C 13 55.987 0.00 . . . . . . A 13 PHE CA . 30432 1 119 . 1 1 13 13 PHE CB C 13 36.470 0.00 . . . . . . A 13 PHE CB . 30432 1 120 . 1 1 13 13 PHE N N 15 115.206 0.00 . . . . . . A 13 PHE N . 30432 1 121 . 1 1 14 14 LEU H H 1 7.804 0.00 . . . . . . A 14 LEU H . 30432 1 122 . 1 1 14 14 LEU HA H 1 4.247 0.00 . . . . . . A 14 LEU HA . 30432 1 123 . 1 1 14 14 LEU HB2 H 1 1.738 0.00 . . . . . . A 14 LEU HB2 . 30432 1 124 . 1 1 14 14 LEU HB3 H 1 1.544 0.00 . . . . . . A 14 LEU HB3 . 30432 1 125 . 1 1 14 14 LEU HG H 1 1.639 0.00 . . . . . . A 14 LEU HG . 30432 1 126 . 1 1 14 14 LEU HD11 H 1 0.859 0.00 . . . . . . A 14 LEU HD11 . 30432 1 127 . 1 1 14 14 LEU HD12 H 1 0.859 0.00 . . . . . . A 14 LEU HD12 . 30432 1 128 . 1 1 14 14 LEU HD13 H 1 0.859 0.00 . . . . . . A 14 LEU HD13 . 30432 1 129 . 1 1 14 14 LEU HD21 H 1 0.839 0.00 . . . . . . A 14 LEU HD21 . 30432 1 130 . 1 1 14 14 LEU HD22 H 1 0.839 0.00 . . . . . . A 14 LEU HD22 . 30432 1 131 . 1 1 14 14 LEU HD23 H 1 0.839 0.00 . . . . . . A 14 LEU HD23 . 30432 1 132 . 1 1 14 14 LEU CA C 13 53.260 0.00 . . . . . . A 14 LEU CA . 30432 1 133 . 1 1 14 14 LEU CB C 13 39.455 0.00 . . . . . . A 14 LEU CB . 30432 1 134 . 1 1 14 14 LEU N N 15 120.441 0.00 . . . . . . A 14 LEU N . 30432 1 135 . 1 1 15 15 ARG H H 1 7.876 0.00 . . . . . . A 15 ARG H . 30432 1 136 . 1 1 15 15 ARG HA H 1 4.161 0.00 . . . . . . A 15 ARG HA . 30432 1 137 . 1 1 15 15 ARG HB2 H 1 1.735 0.00 . . . . . . A 15 ARG HB2 . 30432 1 138 . 1 1 15 15 ARG HB3 H 1 1.671 0.00 . . . . . . A 15 ARG HB3 . 30432 1 139 . 1 1 15 15 ARG HG2 H 1 1.494 0.00 . . . . . . A 15 ARG HG2 . 30432 1 140 . 1 1 15 15 ARG HD2 H 1 2.989 0.00 . . . . . . A 15 ARG HD2 . 30432 1 141 . 1 1 15 15 ARG HE H 1 7.422 0.00 . . . . . . A 15 ARG HE . 30432 1 142 . 1 1 15 15 ARG CA C 13 53.442 0.00 . . . . . . A 15 ARG CA . 30432 1 143 . 1 1 15 15 ARG CB C 13 27.722 0.00 . . . . . . A 15 ARG CB . 30432 1 144 . 1 1 15 15 ARG N N 15 120.724 0.00 . . . . . . A 15 ARG N . 30432 1 145 . 1 1 16 16 LYS H H 1 8.044 0.00 . . . . . . A 16 LYS H . 30432 1 146 . 1 1 16 16 LYS HA H 1 4.218 0.00 . . . . . . A 16 LYS HA . 30432 1 147 . 1 1 16 16 LYS HB2 H 1 1.789 0.00 . . . . . . A 16 LYS HB2 . 30432 1 148 . 1 1 16 16 LYS HB3 H 1 1.667 0.00 . . . . . . A 16 LYS HB3 . 30432 1 149 . 1 1 16 16 LYS HG2 H 1 1.379 0.00 . . . . . . A 16 LYS HG2 . 30432 1 150 . 1 1 16 16 LYS HD2 H 1 1.605 0.00 . . . . . . A 16 LYS HD2 . 30432 1 151 . 1 1 16 16 LYS CA C 13 53.560 0.00 . . . . . . A 16 LYS CA . 30432 1 152 . 1 1 16 16 LYS CB C 13 30.306 0.00 . . . . . . A 16 LYS CB . 30432 1 153 . 1 1 16 16 LYS N N 15 122.204 0.00 . . . . . . A 16 LYS N . 30432 1 154 . 1 1 17 17 LYS H H 1 7.845 0.00 . . . . . . A 17 LYS H . 30432 1 155 . 1 1 17 17 LYS HA H 1 4.054 0.00 . . . . . . A 17 LYS HA . 30432 1 156 . 1 1 17 17 LYS HB3 H 1 1.643 0.00 . . . . . . A 17 LYS HB3 . 30432 1 157 . 1 1 17 17 LYS HG2 H 1 1.332 0.00 . . . . . . A 17 LYS HG2 . 30432 1 158 . 1 1 17 17 LYS HE2 H 1 2.908 0.00 . . . . . . A 17 LYS HE2 . 30432 1 159 . 1 1 17 17 LYS CA C 13 55.142 0.00 . . . . . . A 17 LYS CA . 30432 1 160 . 1 1 17 17 LYS CB C 13 30.971 0.00 . . . . . . A 17 LYS CB . 30432 1 161 . 1 1 17 17 LYS N N 15 128.004 0.00 . . . . . . A 17 LYS N . 30432 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30432 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 Volume Arg3HN-Met2HA 8.638 4.482 1.14e+009 ga Met2HA-Arg3HN 4.483 8.637 2.53e+009 ga Met2HA-Ile4HD# 4.482 0.823 3.57e+008 ga Met2HA-Ile4HG2# 4.482 0.884 9.69e+007 ga Met2HA-Ser5HN 4.481 8.547 1.35e+008 ga Met2HA-HB# 4.483 2.027 3.71e+009 ga Met2HB#-HA 2.027 4.480 1.67e+009 ga Met2HB#-Arg3HA 2.029 4.409 3.86e+008 ga Arg3HN-Met2HB# 8.638 2.029 9.79e+008 ga Met2HB#-Arg3HN 2.028 8.637 1.05e+009 ga Met2HB#-Ser5HA 2.029 3.870 1.62e+008 ga Ser5HN-Met2HB# 8.552 2.028 6.92e+008 ga Met2HB#-Ser5HN 2.025 8.549 7.00e+008 ga Met2HG1-HA 2.560 4.481 3.21e+008 ga Met2HG1-HB# 2.563 2.028 3.06e+009 ga Met2HG1-Arg3HN 2.563 8.638 1.97e+008 ga Met2HG1-Ile4HD# 2.563 0.821 1.92e+008 ga Met2HG1-Ile4HG2# 2.562 0.888 4.97e+008 ga Met2HG2-HA 2.484 4.482 6.63e+008 ga Met2HG2-HB# 2.478 2.028 3.16e+009 ga Met2HG2-Arg3HN 2.480 8.637 2.60e+008 ga Met2HG2-Ile4HD# 2.481 0.823 1.41e+009 ga Met2HG2-Ile4HG2# 2.484 0.882 1.54e+008 ga Arg3HN-HA 8.638 4.410 6.72e+008 ga Arg3HA-HN 4.410 8.636 1.01e+009 ga Arg3HA-Ile4HD# 4.410 0.821 1.75e+008 ga Arg3HA-Ile4HG12 4.410 1.247 6.54e+008 ga Ser5HN-Arg3HA 8.551 4.409 2.24e+009 ga Arg3HA-Ser5HN 4.410 8.549 5.00e+008 ga Arg3HA-Ile7HN 4.410 7.738 9.75e+007 ga Arg3HD#-HB1 3.183 1.930 2.91e+009 ga Arg3HB1-HD# 1.930 3.181 3.84e+009 ga Arg3HB1-HE 1.935 7.453 1.16e+008 ga Arg3HN-HB1 8.638 1.935 1.04e+009 ga Arg3HB1-HN 1.933 8.637 1.04e+009 ga Arg3HB2-HA 1.791 4.410 9.75e+008 ga Arg3HB1-HB2 1.931 1.790 6.36e+009 ga Arg3HB2-HB1 1.793 1.933 5.89e+009 ga Arg3HD#-HB2 3.182 1.791 2.39e+009 ga Arg3HB2-HD# 1.792 3.181 3.07e+009 ga Arg3HB2-HE 1.791 7.451 1.28e+008 ga Arg3HN-HB2 8.638 1.791 9.46e+008 ga Arg3HB2-HN 1.793 8.637 9.80e+008 ga Ser5HN-Arg3HB2 8.550 1.790 2.67e+008 ga Arg3HB2-Ser5HN 1.794 8.550 3.00e+008 ga Arg3HA-HD# 4.411 3.180 1.07e+009 ga Arg3HD#-HA 3.182 4.410 5.86e+008 ga Arg3HE-HD# 7.454 3.179 2.78e+008 ga Arg3HD#-HE 3.179 7.450 3.90e+008 ga Arg3HN-HD# 8.637 3.181 3.74e+008 ga Arg3HD#-HN 3.181 8.637 2.68e+008 ga Ser5HN-Arg3HD# 8.551 3.180 1.38e+008 ga Arg3HD#-Ser5HN 3.180 8.551 9.29e+007 ga Arg3HG1-HA 1.669 4.410 7.97e+008 ga Arg3HG1-HE 1.668 7.452 1.14e+008 ga Arg3HN-HG1 8.638 1.666 7.36e+008 ga Arg3HG1-HN 1.665 8.637 7.63e+008 ga Arg3HG2-HA 1.572 4.409 1.13e+009 ga Arg3HG2-HB2 1.573 1.795 1.83e+009 ga Arg3HD#-HG2 3.179 1.570 3.27e+009 ga Arg3HG2-HD# 1.573 3.180 3.21e+009 ga Arg3HG2-HE 1.573 7.451 1.01e+008 ga Arg3HG2-HN 1.574 8.637 5.36e+008 ga Arg3HN-Ile4HG11 8.638 1.571 5.44e+008 ga Arg3HN-Ile7HN 8.637 7.738 5.56e+007 ga Ile4HA-Arg3HA 3.774 4.408 1.45e+008 ga Arg3HN-Ile4HA 8.637 3.773 9.37e+007 ga Ile4HA-Arg3HN 3.775 8.638 1.10e+008 ga Ser5HN-Ile4HA 8.551 3.774 1.79e+008 ga Ile4HA-Ser5HN 3.776 8.550 6.73e+008 ga Ile7HN-Ile4HA 7.739 3.774 8.16e+008 ga Ile4HA-Ile7HN 3.778 7.739 8.75e+008 ga Ile4HB-Arg3HA 1.940 4.410 1.70e+009 ga Ile4HA-HB 3.774 1.949 2.77e+009 ga Ile4HB-HA 1.949 3.774 3.43e+009 ga Ile4HN-HB 8.981 1.946 3.15e+009 ga Ile4HB-HN 1.944 8.980 1.00e+008 ga Ser5HA-Ile4HB 3.871 1.947 1.12e+009 ga Ile4HB-Ser5HA 1.945 3.870 3.74e+008 ga Ser5HN-Ile4HB 8.551 1.947 1.42e+009 ga Ile4HB-Ser5HN 1.945 8.550 1.55e+009 ga Met2HB#-Ile4HD# 2.028 0.821 7.46e+008 ga Ile4HD#-Met2HB# 0.821 2.028 5.87e+008 ga Ile4HD#-Arg3HD# 0.823 3.180 7.71e+008 ga Arg3HN-Ile4HD# 8.637 0.822 6.46e+009 ga Ile4HD#-Arg3HN 0.821 8.638 1.85e+008 ga Ile4HA-HD# 3.775 0.821 5.36e+009 ga Ile4HD#-HA 0.821 3.774 2.32e+009 ga Ile4HD#-HG12 0.821 1.244 1.36e+010 ga Arg6HG#-Ile4HD# 1.682 0.820 4.91e+009 ga Ile4HD#-Arg6HG# 0.822 1.683 1.36e+010 ga Ile7HB-Ile4HD# 1.982 0.820 3.09e+009 ga Ile4HD#-Ile7HB 0.821 1.982 3.36e+009 ga Ile4HA-HG11 3.775 1.571 1.05e+009 ga Ile4HG11-HA 1.570 3.774 1.74e+009 ga Ile4HB-HG11 1.941 1.569 3.79e+009 ga Ile4HG11-HB 1.571 1.944 3.63e+009 ga Ile4HG11-Ser5HA 1.569 3.870 3.12e+008 ga Ser5HN-Ile4HG11 8.550 1.570 3.58e+008 ga Ile4HG11-Ser5HN 1.571 8.550 3.95e+008 ga Ile4HG11-Ile7HN 1.568 7.736 1.97e+008 ga Ile4HA-HG12 3.774 1.245 1.05e+009 ga Ile4HG12-HA 1.246 3.774 1.54e+009 ga Ile4HB-HG12 1.947 1.243 1.60e+009 ga Ile4HG12-HB 1.246 1.949 1.84e+009 ga Ile4HG11-HG12 1.569 1.245 6.63e+009 ga Ile4HG12-HG11 1.246 1.570 6.47e+009 ga Ile4HG12-Ser5HN 1.245 8.549 2.57e+008 ga Met2HB#-Ile4HG2# 2.028 0.884 1.21e+009 ga Ile4HG2#-Met2HB# 0.880 2.029 1.73e+009 ga Arg3HA-Ile4HG2# 4.410 0.887 8.87e+008 ga Ile4HG2#-Arg3HA 0.886 4.409 2.60e+008 ga Ile4HG2#-Arg3HN 0.880 8.636 3.28e+008 ga Ile4HA-HG2# 3.775 0.887 3.94e+009 ga Ile4HG2#-HA 0.884 3.774 5.61e+009 ga Ile4HB-HG2# 1.948 0.888 5.26e+009 ga Ile4HG2#-HB 0.886 1.947 7.86e+009 ga Ile4HG11-HG2# 1.568 0.874 7.01e+009 ga Ile4HG2#-HG11 0.877 1.571 5.77e+009 ga Ile4HG12-HG2# 1.245 0.884 5.10e+009 ga Ile4HG2#-HG12 0.883 1.244 4.93e+009 ga Ser5HN-Ile4HG2# 8.550 0.888 1.04e+009 ga Ile4HG2#-Ser5HN 0.887 8.550 1.68e+009 ga Ile4HN-Met2HB# 8.981 2.027 5.87e+008 ga Ile4HN-Arg3HA 8.980 4.409 1.60e+009 ga Ile4HN-Arg3HB2 8.982 1.790 6.66e+008 ga Ile4HN-Arg3HD# 8.980 3.180 2.47e+008 ga Ile4HN-Arg3HG1 8.981 1.668 4.87e+008 ga Ile4HN-Arg3HN 8.980 8.637 4.06e+008 ga Ile4HN-HA 8.981 3.774 1.16e+009 ga Ile4HN-HD# 8.981 0.822 2.32e+008 ga Ile4HN-HG11 8.981 1.571 1.50e+009 ga Ile4HN-HG12 8.980 1.245 9.56e+008 ga Ile4HN-HG2# 8.981 0.888 2.03e+009 ga Ile4HN-Ser5HA 8.980 3.871 1.40e+008 ga Ile4HN-Ser5HN 8.981 8.549 7.69e+008 ga Ile4HN-Arg6HN 8.983 7.227 1.06e+008 ga Ile4HN-Ile7HN 8.980 7.738 8.90e+007 ga Ile4HN-Ile8HB 8.986 1.850 8.54e+007 ga Ile4HN-Ile8HD# 8.979 0.768 1.09e+008 ga Ser5HN-HA 8.551 3.871 1.06e+009 ga Ser5HA-HN 3.871 8.550 1.05e+009 ga Ser5HA-Ile7HB 3.870 1.987 5.30e+008 ga Ile7HN-Ser5HA 7.739 3.871 2.99e+008 ga Ser5HA-Ile7HN 3.873 7.738 2.50e+008 ga Ile8HN-Ser5HA 7.855 3.872 8.22e+008 ga Ser5HA-Ile8HN 3.874 7.855 5.70e+008 ga Ser5HB1-HA 3.828 3.871 8.79e+009 ga Ser5HN-HB1 8.550 3.828 4.73e+008 ga Ser5HB1-HN 3.825 8.550 7.71e+008 ga Ser5HB2-HA 3.815 3.871 1.09e+009 ga Ser5HB2-HN 3.815 8.550 1.20e+009 ga Ser5HN-Arg3HN 8.550 8.633 1.09e+008 ga Ser5HN-Ile4HD# 8.550 0.821 1.26e+008 ga Ser5HN-Ile7HA 8.550 3.806 2.26e+009 ga Ser5HN-Ile8HA 8.551 3.677 1.95e+008 ga Ser5HN-Ile8HB 8.554 1.851 4.17e+008 ga Ser5HN-Ile8HN 8.552 7.856 4.73e+007 ga Ser5HN-Arg6HA 8.550 4.054 1.81e+008 ga Arg6HA-Ser5HN 4.056 8.551 1.09e+008 ga Arg6HE-HA 7.658 4.054 5.65e+008 ga Arg6HA-HE 4.056 7.657 4.28e+008 ga Arg6HN-HA 7.225 4.055 1.40e+009 ga Arg6HA-HN 4.055 7.225 7.69e+008 ga Ile7HN-Arg6HA 7.738 4.055 5.91e+008 ga Arg6HA-Ile7HN 4.055 7.738 5.06e+008 ga Arg6HA-Ile8HB 4.053 1.855 5.85e+008 ga Arg6HA-Leu9HG 4.055 1.503 5.85e+008 ga Leu9HN-Arg6HA 8.108 4.055 6.71e+008 ga Arg6HA-Leu9HN 4.055 8.108 5.42e+008 ga Asp10HN-Arg6HA 8.420 4.054 3.92e+008 ga Arg6HA-Asp10HN 4.055 8.419 3.49e+008 ga Arg6HB1-Arg3HA 1.996 4.408 5.93e+008 ga Arg6HB1-Ser5HA 1.991 3.871 1.43e+009 ga Arg6HA-HB1 4.054 1.998 1.69e+010 ga Arg6HB1-HA 1.997 4.055 2.28e+009 ga Arg6HD#-HB1 3.194 1.998 1.65e+009 ga Arg6HB1-HD# 1.997 3.194 1.68e+009 ga Arg6HB1-HE 1.996 7.656 5.37e+009 ga Arg6HN-HB1 7.225 1.998 1.72e+009 ga Arg6HB1-HN 1.996 7.224 1.42e+009 ga Arg6HA-HB2 4.055 1.914 9.04e+008 ga Arg6HB2-HA 1.915 4.054 2.12e+009 ga Arg6HB2-HE 1.915 7.654 2.11e+008 ga Arg6HN-HB2 7.225 1.915 1.89e+009 ga Arg6HB2-HN 1.916 7.225 1.31e+009 ga Ile7HN-Arg6HB2 7.739 1.914 8.41e+008 ga Arg6HB2-Ile7HN 1.916 7.738 7.56e+008 ga Arg6HB2-Asp10HN 1.919 8.419 1.10e+008 ga Arg6HA-HD# 4.055 3.195 2.26e+009 ga Arg6HD#-HA 3.196 4.054 2.18e+009 ga Arg6HD#-HE 3.195 7.658 7.69e+008 ga Ile7HA-Arg6HD# 3.799 3.192 1.68e+009 ga Arg6HD#-Ile7HA 3.196 3.799 9.52e+008 ga Ile7HN-Arg6HD# 7.740 3.193 3.61e+008 ga Arg6HD#-Ile7HN 3.194 7.737 3.13e+009 ga Arg6HD#-Leu12HG 3.188 1.875 1.19e+009 ga Ser5HN-Arg6HG# 8.550 1.686 3.59e+008 ga Arg6HG#-Ser5HN 1.688 8.549 4.63e+008 ga Arg6HA-HG# 4.055 1.689 4.97e+009 ga Arg6HG#-HA 1.689 4.054 2.83e+009 ga Arg6HB1-HG# 1.994 1.687 6.04e+009 ga Arg6HG#-HB1 1.689 1.996 5.02e+009 ga Arg6HB2-HG# 1.917 1.687 5.29e+009 ga Arg6HG#-HB2 1.690 1.918 4.83e+009 ga Arg6HD#-HG# 3.194 1.688 9.41e+009 ga Arg6HG#-HD# 1.689 3.195 1.05e+010 ga Arg6HE-HG# 7.657 1.688 9.52e+007 ga Arg6HG#-HE 1.690 7.656 1.82e+008 ga Arg6HN-HG# 7.226 1.688 1.73e+009 ga Arg6HG#-HN 1.689 7.226 1.33e+009 ga Ile7HN-Arg6HG# 7.739 1.685 2.02e+009 ga Arg6HG#-Ile7HN 1.685 7.738 1.92e+009 ga Asp10HN-Arg6HG# 8.420 1.687 1.52e+009 ga Arg6HG#-Asp10HN 1.687 8.419 3.03e+008 ga Arg6HN-Ile4HA 7.226 3.776 2.37e+007 ga Arg6HN-Ser5HA 7.227 3.872 1.16e+009 ga Ser5HN-Arg6HN 8.550 7.225 4.36e+008 ga Arg6HN-Ser5HN 7.225 8.551 6.00e+008 ga Arg6HN-HD# 7.225 3.194 2.28e+009 ga Ile7HN-Arg6HN 7.738 7.225 7.22e+008 ga Arg6HN-Ile7HN 7.225 7.738 7.47e+008 ga Arg6HN-Ile8HN 7.225 7.855 1.17e+008 ga Arg6HN-Ile7HA 7.225 3.805 1.37e+009 ga Ile7HA-Arg6HN 3.806 7.223 9.91e+008 ga Ile7HN-HA 7.739 3.802 1.67e+009 ga Ile7HA-HN 3.803 7.739 1.31e+009 ga Ile8HN-Ile7HA 7.857 3.801 1.02e+009 ga Ile7HA-Ile8HN 3.802 7.856 1.33e+009 ga Asp10HA-Ile7HA 4.248 3.800 9.45e+008 ga Ile7HA-Asp10HA 3.801 4.249 6.32e+008 ga Asp10HN-Ile7HA 8.420 3.801 5.22e+008 ga Ile7HA-Asp10HN 3.802 8.420 4.76e+008 ga Ile7HA-HB 3.802 1.984 5.74e+009 ga Ile7HB-HA 1.983 3.801 6.14e+009 ga Ile7HN-HB 7.739 1.984 2.73e+009 ga Ile7HB-HN 1.984 7.739 2.38e+009 ga Ile8HA-Ile7HB 3.676 1.982 3.20e+008 ga Ile7HB-Ile8HA 1.983 3.674 4.02e+008 ga Ile8HN-Ile7HB 7.856 1.982 1.18e+009 ga Ile7HB-Ile8HN 1.982 7.855 1.23e+009 ga Leu9HN-Ile7HB 8.107 1.988 2.74e+008 ga Ile7HB-Leu9HN 1.984 8.106 2.49e+008 ga Ile7HB-Asp10HA 1.985 4.250 1.32e+008 ga Ile7HB-Asp10HN 1.992 8.419 2.17e+008 ga Ile7HD#-Ser5HN 0.823 8.549 1.62e+008 ga Ile7HD#-Arg6HA 0.827 4.053 5.37e+007 ga Ile7HD#-HA 0.821 3.800 1.92e+009 ga Ile7HD#-HN 0.822 7.739 1.14e+009 ga Ile7HD#-Ile8HA 0.828 3.672 1.47e+010 ga Ile7HD#-Ile8HB 0.825 1.852 3.84e+009 ga Ile7HD#-Asp10HN 0.827 8.418 1.25e+008 ga Ile7HD#-Phe11HN 0.828 7.685 1.65e+008 ga Ile7HG12-Ile4HA 1.160 3.776 1.18e+009 ga Ile7HG12-Ile4HD# 1.160 0.820 6.08e+009 ga Ile7HG12-Arg6HG# 1.163 1.682 3.57e+009 ga Ile7HG12-HA 1.161 3.802 2.87e+009 ga Ile7HG12-HB 1.163 1.984 1.04e+009 ga Ile7HG12-HG2# 1.160 0.865 4.77e+009 ga Ile7HG12-HN 1.161 7.739 1.40e+009 ga Ile7HG12-Ile8HN 1.159 7.855 5.24e+008 ga Ile7HG12-Phe11HE# 1.159 7.189 3.67e+008 ga Ile7HG2#-Arg6HG# 0.863 1.683 2.34e+010 ga Ile7HA-HG2# 3.802 0.864 6.62e+009 ga Ile7HG2#-HA 0.864 3.801 7.60e+009 ga Ile7HB-HG2# 1.982 0.864 5.53e+009 ga Ile7HG2#-HB 0.865 1.982 6.33e+009 ga Ile7HN-HG2# 7.739 0.864 1.83e+009 ga Ile7HG2#-HN 0.864 7.739 2.31e+009 ga Ile8HA-Ile7HG2# 3.675 0.863 4.16e+009 ga Ile7HG2#-Ile8HA 0.863 3.674 4.86e+009 ga Ile7HG2#-Ile8HB 0.863 1.856 5.98e+009 ga Ile7HG2#-Ile8HG12 0.864 1.031 1.48e+009 ga Ile8HN-Ile7HG2# 7.857 0.863 3.24e+009 ga Ile7HG2#-Ile8HN 0.863 7.856 4.31e+009 ga Ile7HN-Arg3HB2 7.739 1.790 3.54e+008 ga Ile7HN-Arg3HG2 7.740 1.576 2.82e+008 ga Ile7HN-Ile4HD# 7.739 0.820 1.01e+009 ga Ser5HN-Ile7HN 8.551 7.739 1.75e+008 ga Ile7HN-Ser5HN 7.741 8.550 1.68e+008 ga Ile7HN-Ile8HG11 7.739 1.759 6.01e+010 ga Ile8HN-Ile7HN 7.854 7.739 1.23e+009 ga Ile7HN-Ile8HN 7.739 7.859 5.25e+008 ga Leu9HN-Ile7HN 8.109 7.740 5.84e+008 ga Ile7HN-Leu9HN 7.739 8.107 2.95e+008 ga Asp10HN-Ile7HN 8.419 7.740 1.25e+008 ga Ile7HN-Asp10HN 7.737 8.418 8.87e+007 ga Ile8HA-Arg6HG# 3.674 1.685 2.57e+008 ga Ile7HN-Ile8HA 7.739 3.673 2.84e+008 ga Ile8HA-Ile7HN 3.675 7.740 3.70e+008 ga Ile8HN-HA 7.856 3.675 1.37e+009 ga Ile8HA-HN 3.676 7.855 1.12e+009 ga Leu9HN-Ile8HA 8.105 3.674 9.69e+008 ga Ile8HA-Leu9HN 3.675 8.108 8.87e+008 ga Asp10HN-Ile8HA 8.421 3.675 2.31e+008 ga Ile8HA-Asp10HN 3.675 8.419 2.12e+008 ga Phe11HE#-Ile8HA 7.186 3.675 6.64e+008 ga Ile8HA-Phe11HE# 3.675 7.187 5.49e+008 ga Phe11HN-Ile8HA 7.685 3.675 6.13e+008 ga Ile8HA-Phe11HN 3.675 7.684 6.02e+008 ga Phe13HN-Ile8HA 8.148 3.673 3.60e+007 ga Ile8HA-Phe13HN 3.679 8.151 6.40e+007 ga Ser5HA-Ile8HB 3.875 1.855 1.69e+009 ga Ile8HB-Ser5HA 1.856 3.873 2.15e+009 ga Ile7HN-Ile8HB 7.738 1.857 4.21e+008 ga Ile8HB-Ile7HN 1.854 7.737 4.47e+008 ga Ile8HA-HB 3.675 1.856 1.56e+009 ga Ile8HB-HA 1.856 3.674 1.91e+009 ga Ile8HN-HB 7.856 1.854 1.94e+009 ga Ile8HB-HN 1.854 7.856 2.09e+009 ga Ile8HB-Leu9HD1# 1.857 0.862 5.94e+009 ga Asp10HN-Ile8HB 8.419 1.858 2.35e+008 ga Ile8HB-Asp10HN 1.857 8.418 3.07e+008 ga Ile8HD#-Ile4HB 0.768 1.946 1.09e+009 ga Ile4HG11-Ile8HD# 1.568 0.767 7.58e+008 ga Ile8HD#-Ile4HG11 0.769 1.569 3.31e+008 ga Ile8HD#-Ile4HG12 0.767 1.245 1.11e+008 ga Ser5HA-Ile8HD# 3.874 0.769 1.72e+009 ga Ile8HD#-Ser5HA 0.775 3.875 3.12e+009 ga Ser5HN-Ile8HD# 8.551 0.767 1.54e+008 ga Ile8HD#-Ser5HN 0.768 8.548 2.37e+008 ga Ile7HN-Ile8HD# 7.739 0.768 3.56e+008 ga Ile8HD#-Ile7HN 0.768 7.738 5.02e+008 ga Ile8HA-HD# 3.675 0.767 1.83e+009 ga Ile8HD#-HA 0.769 3.674 2.12e+009 ga Ile8HG11-HD# 1.757 0.766 4.06e+009 ga Ile8HD#-HG11 0.768 1.757 6.25e+009 ga Ile8HG12-HD# 1.030 0.766 3.83e+009 ga Ile8HD#-HG12 0.768 1.034 3.56e+009 ga Ile8HN-HD# 7.856 0.767 1.23e+009 ga Ile8HD#-HN 0.769 7.855 1.71e+009 ga Ile8HA-HG11 3.675 1.758 1.82e+009 ga Ile8HG11-HA 1.757 3.674 2.22e+009 ga Ile8HG12-Ile4HA 1.037 3.770 1.64e+008 ga Ser5HA-Ile8HG12 3.874 1.030 2.77e+008 ga Ile8HG12-Ser5HA 1.032 3.872 4.95e+008 ga Ile7HB-Ile8HG12 1.989 1.029 5.15e+008 ga Ile8HG12-Ile7HB 1.028 1.977 4.15e+008 ga Ile7HN-Ile8HG12 7.741 1.028 1.67e+008 ga Ile8HG12-Ile7HN 1.031 7.737 2.32e+008 ga Ile8HA-HG12 3.675 1.030 1.83e+009 ga Ile8HG12-HA 1.031 3.674 2.45e+009 ga Ile8HB-HG12 1.855 1.029 1.41e+009 ga Ile8HG12-HB 1.031 1.855 1.76e+009 ga Ile8HG11-HG12 1.757 1.030 4.32e+009 ga Ile8HG12-HG11 1.031 1.757 4.66e+009 ga Ile8HN-HG12 7.855 1.030 1.11e+009 ga Ile8HG12-HN 1.031 7.855 1.34e+009 ga Leu9HN-Ile8HG12 8.107 1.029 6.04e+008 ga Ile8HG12-Leu9HN 1.032 8.107 6.03e+008 ga Ile8HG12-Phe11HE# 1.033 7.185 1.31e+008 ga Ile8HG12-Phe11HN 1.036 7.685 1.63e+008 ga Ile8HG12-Leu12HA 1.036 3.792 4.04e+008 ga Ile8HN-Ile4HA 7.856 3.776 4.83e+008 ga Ile8HN-Arg6HD# 7.857 3.193 5.32e+008 ga Ile8HN-Leu9HB# 7.851 1.783 8.89e+009 ga Leu9HN-Ile8HN 8.108 7.857 8.09e+008 ga Ile8HN-Leu9HN 7.857 8.108 7.19e+008 ga Asp10HN-Ile8HN 8.420 7.855 1.88e+008 ga Ile8HN-Asp10HN 7.857 8.419 1.45e+008 ga Ile8HN-Phe13HE# 7.852 7.342 6.33e+008 ga Leu9HA-Arg6HD# 3.883 3.193 8.34e+008 ga Leu9HN-HA 8.106 3.885 2.44e+009 ga Leu9HA-HN 3.885 8.107 2.25e+009 ga Asp10HA-Leu9HA 4.247 3.886 4.66e+008 ga Leu9HA-Asp10HA 3.888 4.248 3.67e+008 ga Asp10HN-Leu9HA 8.420 3.886 7.08e+008 ga Leu9HA-Asp10HN 3.886 8.419 7.57e+008 ga Leu9HA-Phe11HE# 3.884 7.188 8.38e+008 ga Phe11HN-Leu9HA 7.685 3.887 2.75e+008 ga Leu9HA-Phe11HN 3.887 7.685 2.84e+008 ga Phe13HE#-Leu9HA 7.342 3.887 4.98e+008 ga Leu9HA-Phe13HE# 3.887 7.342 5.59e+008 ga Phe13HN-Leu9HA 8.151 3.886 2.60e+008 ga Leu9HA-Phe13HN 3.887 8.152 2.18e+008 ga Leu9HA-Phe13HZ 3.882 7.243 5.50e+008 ga Leu9HA-Leu14HN 3.885 7.805 1.28e+008 ga Arg6HA-Leu9HB# 4.055 1.788 1.34e+009 ga Leu9HB#-Arg6HA 1.788 4.054 2.11e+009 ga Ile7HA-Leu9HB# 3.802 1.789 1.69e+008 ga Leu9HB#-Ile7HA 1.787 3.799 1.90e+009 ga Leu9HB#-Ile7HN 1.785 7.736 1.04e+009 ga Leu9HA-HB# 3.886 1.788 3.66e+009 ga Leu9HB#-HA 1.787 3.886 4.56e+009 ga Leu9HN-HB# 8.108 1.788 3.35e+009 ga Leu9HB#-HN 1.788 8.108 3.14e+009 ga Leu9HB#-Asp10HA 1.785 4.246 7.82e+008 ga Asp10HB1-Leu9HB# 3.012 1.788 3.56e+009 ga Leu9HB#-Asp10HB1 1.788 3.013 2.94e+009 ga Asp10HN-Leu9HB# 8.419 1.788 1.10e+009 ga Leu9HB#-Asp10HN 1.788 8.419 1.74e+009 ga Phe11HN-Leu9HB# 7.683 1.787 2.32e+008 ga Leu9HB#-Phe11HN 1.788 7.683 2.52e+008 ga Leu9HB#-Phe13HE# 1.787 7.342 3.19e+008 ga Leu9HB#-Phe13HZ 1.788 7.243 1.33e+009 ga Arg6HA-Leu9HD1# 4.055 0.862 1.52e+009 ga Leu9HD1#-Arg6HA 0.862 4.055 2.07e+009 ga Arg6HD#-Leu9HD1# 3.195 0.862 2.86e+009 ga Leu9HD1#-Arg6HD# 0.862 3.195 3.61e+009 ga Leu9HA-HD1# 3.885 0.859 6.92e+009 ga Leu9HD1#-HA 0.859 3.885 8.86e+009 ga Leu9HB#-HD1# 1.788 0.861 1.43e+010 ga Leu9HD1#-HB# 0.861 1.787 1.47e+010 ga Leu9HN-HD1# 8.107 0.862 3.64e+009 ga Leu9HD1#-HN 0.862 8.107 4.04e+009 ga Leu9HD1#-Asp10HN 0.862 8.419 1.58e+009 ga Phe11HN-Leu9HD1# 7.685 0.862 8.52e+008 ga Leu9HD1#-Phe11HN 0.862 7.685 1.37e+009 ga Leu9HD2#-Arg6HA 0.777 4.055 1.46e+008 ga Leu9HD2#-Arg6HD# 0.780 3.193 1.96e+009 ga Leu9HA-HD2# 3.886 0.785 1.51e+009 ga Leu9HD2#-HA 0.784 3.885 1.28e+009 ga Leu9HG-Arg6HD# 1.499 3.196 3.47e+008 ga Leu9HG-Ile7HN 1.497 7.740 3.88e+008 ga Leu9HG-Ile8HA 1.496 3.671 4.23e+008 ga Leu9HG-Ile8HB 1.506 1.849 3.31e+008 ga Leu9HA-HG 3.886 1.501 2.15e+009 ga Leu9HG-HA 1.501 3.887 2.75e+009 ga Leu9HG-HB# 1.503 1.788 6.13e+009 ga Leu9HG-HD1# 1.501 0.860 5.32e+009 ga Leu9HN-HG 8.107 1.498 1.06e+009 ga Leu9HG-HN 1.501 8.108 1.60e+009 ga Asp10HN-Leu9HG 8.419 1.501 7.99e+008 ga Leu9HG-Asp10HN 1.501 8.419 9.36e+008 ga Leu9HG-Phe11HN 1.501 7.685 2.29e+008 ga Phe13HE#-Leu9HG 7.342 1.501 3.75e+008 ga Leu9HG-Phe13HE# 1.499 7.342 5.03e+008 ga Leu9HG-Phe13HZ 1.499 7.244 2.71e+008 ga Leu9HN-Ile8HB 8.104 1.857 1.28e+009 ga Asp10HN-Leu9HN 8.419 8.108 1.19e+009 ga Leu9HN-Asp10HN 8.108 8.419 1.33e+009 ga Asp10HA-Leu9HG 4.248 1.503 1.76e+009 ga Leu9HN-Asp10HA 8.103 4.248 9.21e+008 ga Asp10HA-Leu9HN 4.248 8.107 7.06e+008 ga Asp10HA-HN 4.248 8.419 4.09e+009 ga Phe11HN-Asp10HA 7.685 4.248 2.17e+009 ga Asp10HA-Phe11HN 4.252 7.684 3.87e+009 ga Asp10HA-Leu12HD1# 4.248 0.860 2.60e+009 ga Asp10HA-Leu14HB1 4.248 1.737 3.23e+009 ga Asp10HA-Leu14HB2 4.248 1.543 2.31e+009 ga Asp10HA-Leu14HG 4.248 1.639 2.37e+009 ga Asp10HA-HB1 4.247 3.009 3.29e+009 ga Asp10HB1-HA 3.012 4.247 3.28e+009 ga Asp10HN-HB1 8.420 3.010 9.58e+008 ga Asp10HB1-HN 3.011 8.419 1.00e+009 ga Phe11HN-Asp10HB1 7.684 3.014 4.86e+008 ga Asp10HB1-Phe11HN 3.012 7.684 4.71e+008 ga Asp10HB1-Leu12HD1# 3.014 0.860 1.09e+009 ga Asp10HB1-Leu14HD2# 3.017 0.840 5.97e+008 ga Asp10HB2-Ile7HA 2.611 3.800 1.32e+008 ga Asp10HB2-Leu9HA 2.612 3.885 1.72e+008 ga Asp10HB2-Leu9HB# 2.614 1.789 1.04e+008 ga Asp10HB2-Leu9HN 2.613 8.108 1.55e+008 ga Asp10HB2-HA 2.613 4.247 2.41e+009 ga Asp10HB2-HB1 2.614 3.009 8.60e+009 ga Asp10HB2-HN 2.614 8.419 9.74e+008 ga Asp10HB2-Phe11HE# 2.610 7.186 8.63e+008 ga Asp10HB2-Phe11HN 2.613 7.685 3.42e+008 ga Asp10HB2-Leu12HD1# 2.613 0.860 9.78e+008 ga Asp10HB2-Leu12HN 2.611 8.085 1.48e+008 ga Asp10HB2-Phe13HB1 2.613 3.241 1.28e+009 ga Asp10HB2-Phe13HE# 2.613 7.342 4.02e+008 ga Asp10HB2-Phe13HN 2.613 8.153 5.19e+008 ga Asp10HB2-Phe13HZ 2.614 7.246 1.07e+008 ga Asp10HB2-Leu14HB1 2.614 1.737 4.86e+009 ga Asp10HB2-Leu14HG 2.618 1.638 2.94e+008 ga Asp10HB2-Leu14HN 2.614 7.805 3.64e+008 ga Asp10HN-Leu12HD1# 8.420 0.861 1.09e+009 ga Asp10HN-Phe13HN 8.420 8.152 1.13e+008 ga Asp10HN-Leu14HA 8.420 4.247 4.07e+009 ga Phe11HA-Ile8HA 4.269 3.675 5.93e+008 ga Phe11HE#-HA 7.186 4.270 2.84e+009 ga Phe11HA-HE# 4.271 7.187 2.06e+009 ga Leu12HN-Phe11HA 8.085 4.270 9.34e+008 ga Phe11HA-Leu12HN 4.268 8.086 1.05e+009 ga Ile8HA-Phe11HB# 3.675 3.202 2.02e+009 ga Phe11HB#-Ile8HA 3.198 3.674 1.55e+009 ga Phe11HB#-Leu9HA 3.197 3.884 3.59e+008 ga Asp10HN-Phe11HB# 8.420 3.197 8.14e+008 ga Phe11HB#-Asp10HN 3.198 8.419 6.64e+008 ga Phe11HA-HB# 4.270 3.204 6.40e+009 ga Phe11HB#-HA 3.199 4.270 5.89e+009 ga Phe11HE#-HB# 7.186 3.202 4.88e+009 ga Phe11HB#-HE# 3.197 7.186 4.53e+009 ga Phe11HN-HB# 7.685 3.203 4.78e+009 ga Phe11HB#-HN 3.198 7.684 3.62e+009 ga Leu12HN-Phe11HB# 8.087 3.198 2.65e+009 ga Phe11HB#-Leu12HN 3.195 8.086 2.28e+009 ga Phe11HE#-Ile8HN 7.185 7.855 1.06e+008 ga Phe11HE#-Leu9HB# 7.190 1.785 4.87e+008 ga Phe11HE#-Leu9HD1# 7.187 0.862 1.66e+009 ga Phe11HE#-Leu9HD2# 7.187 0.779 2.40e+009 ga Asp10HN-Phe11HE# 8.420 7.187 1.06e+008 ga Phe11HE#-Asp10HN 7.187 8.420 1.16e+008 ga Phe11HN-HE# 7.685 7.186 7.90e+008 ga Phe11HE#-HN 7.186 7.684 8.06e+008 ga Leu12HN-Phe11HE# 8.086 7.187 6.87e+008 ga Phe11HE#-Leu12HN 7.186 8.086 6.84e+008 ga Phe13HN-Phe11HE# 8.151 7.184 1.43e+008 ga Phe11HE#-Phe13HN 7.187 8.152 1.27e+008 ga Phe11HN-Ile7HA 7.686 3.798 6.46e+008 ga Asp10HN-Phe11HN 8.420 7.684 1.14e+009 ga Phe11HN-Asp10HN 7.684 8.420 1.09e+009 ga Phe11HN-HA 7.685 4.269 1.49e+009 ga Leu12HN-Phe11HN 8.087 7.684 1.33e+009 ga Phe11HN-Leu12HN 7.685 8.086 8.98e+008 ga Phe11HN-Phe13HE# 7.687 7.344 9.99e+007 ga Phe13HN-Phe11HN 8.153 7.684 5.04e+008 ga Phe11HN-Phe13HN 7.686 8.153 1.02e+009 ga Phe11HN-Phe13HZ 7.685 7.245 6.31e+007 ga Leu12HA-Leu9HD2# 3.793 0.779 6.51e+009 ga Phe11HE#-Leu12HA 7.187 3.794 1.05e+009 ga Leu12HA-Phe11HE# 3.794 7.187 8.14e+008 ga Leu12HA-Phe11HN 3.799 7.685 7.28e+008 ga Leu12HA-HB1 3.798 1.682 4.20e+009 ga Leu12HN-HA 8.087 3.793 1.94e+009 ga Leu12HA-HN 3.793 8.086 1.84e+009 ga Phe13HE#-Leu12HA 7.342 3.795 2.14e+008 ga Leu12HA-Phe13HE# 3.792 7.341 2.07e+008 ga Phe13HN-Leu12HA 8.154 3.793 8.15e+008 ga Leu12HA-Phe13HN 3.793 8.153 7.94e+008 ga Leu12HA-Leu14HB1 3.795 1.739 5.21e+009 ga Leu14HN-Leu12HA 7.804 3.792 2.94e+008 ga Leu12HA-Leu14HN 3.793 7.805 3.18e+008 ga Leu12HB1-Ile7HA 1.682 3.798 6.59e+009 ga Leu12HB1-Ile8HA 1.679 3.673 3.95e+008 ga Leu9HA-Leu12HB1 3.885 1.681 1.54e+009 ga Leu12HB1-Leu9HA 1.681 3.885 1.33e+009 ga Leu12HB1-Leu9HD1# 1.683 0.862 4.20e+009 ga Phe11HE#-Leu12HB1 7.188 1.678 5.95e+008 ga Leu12HB1-Phe11HE# 1.677 7.188 6.35e+008 ga Phe11HN-Leu12HB1 7.685 1.684 8.88e+008 ga Leu12HB1-Phe11HN 1.683 7.685 1.25e+009 ga Leu12HB1-HG 1.683 1.875 2.69e+009 ga Leu12HN-HB1 8.088 1.680 1.21e+009 ga Leu12HB1-HN 1.680 8.086 1.80e+009 ga Phe13HE#-Leu12HB1 7.341 1.680 2.53e+008 ga Leu12HB1-Phe13HE# 1.680 7.341 4.80e+008 ga Phe13HN-Leu12HB1 8.154 1.680 4.91e+008 ga Leu12HB1-Phe13HN 1.681 8.153 7.24e+008 ga Leu9HA-Leu12HB2 3.887 1.100 7.53e+008 ga Leu12HB2-Leu9HA 1.102 3.886 7.84e+008 ga Leu12HB2-Leu9HB# 1.105 1.790 1.66e+008 ga Phe11HE#-Leu12HB2 7.188 1.103 1.88e+008 ga Leu12HB2-Phe11HE# 1.101 7.188 2.69e+008 ga Leu12HB2-Phe11HN 1.102 7.685 2.02e+008 ga Leu12HA-HB2 3.792 1.101 6.45e+009 ga Leu12HB2-HA 1.101 3.792 2.57e+009 ga Leu12HB1-HB2 1.681 1.101 4.87e+009 ga Leu12HB2-HB1 1.102 1.681 5.04e+009 ga Leu12HG-HB2 1.873 1.099 1.66e+009 ga Leu12HB2-HG 1.102 1.873 1.65e+009 ga Leu12HN-HB2 8.086 1.100 1.12e+009 ga Leu12HB2-HN 1.102 8.086 1.62e+009 ga Leu12HB2-Phe13HE# 1.102 7.342 4.54e+008 ga Phe13HN-Leu12HB2 8.154 1.099 7.86e+008 ga Leu12HB2-Phe13HN 1.101 8.153 9.71e+008 ga Phe13HZ-Leu12HB2 7.245 1.107 2.23e+008 ga Leu12HB2-Phe13HZ 1.100 7.245 2.25e+008 ga Leu12HB2-Leu14HN 1.105 7.805 2.83e+008 ga Leu12HD1#-Leu9HG 0.861 1.500 1.03e+010 ga Leu12HD1#-Phe11HE# 0.863 7.187 2.02e+009 ga Phe13HN-Leu12HD1# 8.151 0.861 4.41e+008 ga Leu12HD1#-Phe13HN 0.860 8.151 8.29e+008 ga Asp10HN-Leu12HD2# 8.422 0.784 1.97e+008 ga Leu12HD2#-Asp10HN 0.782 8.418 3.02e+008 ga Leu12HD2#-Phe11HA 0.780 4.270 3.29e+008 ga Leu12HD2#-Phe11HE# 0.780 7.187 3.18e+009 ga Phe11HN-Leu12HD2# 7.685 0.783 4.03e+008 ga Leu12HD2#-Phe11HN 0.781 7.685 6.76e+008 ga Leu12HD2#-HA 0.780 3.792 8.97e+009 ga Leu12HB1-HD2# 1.680 0.784 5.05e+009 ga Leu12HD2#-HB1 0.784 1.680 5.20e+009 ga Leu12HB2-HD2# 1.101 0.783 4.96e+009 ga Leu12HD2#-HB2 0.783 1.100 5.41e+009 ga Leu12HG-HD2# 1.871 0.782 7.98e+009 ga Leu12HD2#-HG 0.781 1.870 1.10e+010 ga Leu12HN-HD2# 8.087 0.783 2.51e+009 ga Leu12HD2#-HN 0.783 8.087 3.69e+009 ga Phe13HE#-Leu12HD2# 7.341 0.784 4.58e+008 ga Leu12HD2#-Phe13HE# 0.784 7.342 7.56e+008 ga Phe13HN-Leu12HD2# 8.153 0.783 9.37e+008 ga Leu12HD2#-Phe13HN 0.784 8.153 1.33e+009 ga Phe13HZ-Leu12HD2# 7.245 0.785 5.33e+008 ga Leu12HD2#-Phe13HZ 0.785 7.245 7.45e+008 ga Leu12HD2#-Leu14HN 0.781 7.805 4.04e+008 ga Leu12HD2#-Arg15HD# 0.780 2.989 1.18e+009 ga Arg15HG-Leu12HD2# 1.496 0.783 8.71e+008 ga Leu12HD2#-Arg15HG 0.782 1.495 3.09e+008 ga Leu12HG-Asp10HB1 1.874 3.013 7.14e+008 ga Leu12HG-Phe11HA 1.872 4.269 1.69e+009 ga Phe11HE#-Leu12HG 7.186 1.872 1.11e+009 ga Leu12HG-Phe11HE# 1.872 7.187 1.24e+009 ga Phe11HN-Leu12HG 7.686 1.869 3.90e+008 ga Leu12HG-Phe11HN 1.870 7.685 5.50e+008 ga Leu12HA-HG 3.793 1.871 1.53e+009 ga Leu12HG-HA 1.871 3.793 2.53e+009 ga Leu12HN-HG 8.089 1.871 1.88e+009 ga Leu12HG-HN 1.872 8.087 2.58e+009 ga Phe13HE#-Leu12HG 7.340 1.869 1.73e+008 ga Leu12HG-Phe13HE# 1.871 7.341 2.07e+008 ga Phe13HN-Leu12HG 8.152 1.871 5.03e+008 ga Leu12HG-Phe13HN 1.871 8.152 9.07e+009 ga Phe13HN-Leu12HN 8.153 8.087 1.20e+009 ga Leu12HN-Phe13HN 8.087 8.153 9.54e+008 ga Leu12HN-Phe13HZ 8.094 7.244 1.72e+008 ga Phe13HA-Leu12HB2 4.488 1.102 3.75e+008 ga Phe13HA-Leu12HD1# 4.484 0.863 2.28e+008 ga Phe13HA-Leu12HD2# 4.487 0.783 1.81e+008 ga Phe13HA-Leu12HN 4.488 8.086 3.89e+008 ga Phe13HE#-HA 7.342 4.488 7.85e+008 ga Phe13HA-HE# 4.488 7.342 1.74e+009 ga Phe13HN-HA 8.152 4.488 7.35e+008 ga Phe13HA-HN 4.488 8.153 1.50e+009 ga Phe13HA-HZ 4.488 7.244 2.59e+008 ga Leu14HN-Phe13HA 7.803 4.487 4.08e+008 ga Phe13HA-Leu14HN 4.488 7.805 9.71e+008 ga Phe13HA-Arg15HN 4.487 7.876 1.35e+008 ga Phe13HA-Lys16HN 4.488 8.046 1.21e+008 ga Phe13HB1-Leu9HA 3.237 3.888 1.26e+008 ga Phe13HB1-Leu12HA 3.237 3.793 1.18e+008 ga Phe13HA-HB1 4.488 3.241 2.50e+009 ga Phe13HB1-HA 3.238 4.487 9.09e+008 ga Phe13HE#-HB1 7.342 3.241 1.42e+009 ga Phe13HB1-HE# 3.236 7.342 1.57e+009 ga Phe13HN-HB1 8.153 3.241 1.99e+009 ga Phe13HB1-HN 3.235 8.153 1.80e+009 ga Phe13HZ-HB1 7.247 3.240 4.68e+008 ga Phe13HB1-HZ 3.236 7.244 2.84e+008 ga Leu14HN-Phe13HB1 7.805 3.241 8.15e+008 ga Phe13HB1-Leu14HN 3.235 7.804 8.03e+008 ga Leu9HA-Phe13HB2 3.887 3.019 3.49e+008 ga Phe13HB2-Leu9HA 3.021 3.886 2.59e+008 ga Leu12HN-Phe13HB2 8.087 3.019 1.06e+009 ga Phe13HB2-Leu12HN 3.020 8.089 9.17e+008 ga Phe13HA-HB2 4.488 3.023 2.38e+009 ga Phe13HB2-HA 3.025 4.487 7.08e+008 ga Phe13HB2-HB1 3.025 3.241 7.01e+009 ga Phe13HE#-HB2 7.342 3.022 1.75e+009 ga Phe13HB2-HE# 3.024 7.342 2.02e+009 ga Phe13HN-HB2 8.154 3.022 2.23e+009 ga Phe13HB2-HN 3.024 8.153 2.38e+009 ga Phe13HZ-HB2 7.246 3.023 3.51e+008 ga Phe13HB2-HZ 3.024 7.244 3.76e+008 ga Leu14HN-Phe13HB2 7.804 3.020 1.31e+009 ga Phe13HB2-Leu14HN 3.021 7.805 1.23e+009 ga Asp10HN-Phe13HE# 8.420 7.343 9.47e+007 ga Phe13HE#-Asp10HN 7.344 8.416 5.23e+007 ga Leu12HN-Phe13HE# 8.090 7.341 3.98e+008 ga Phe13HE#-Leu12HN 7.342 8.087 3.61e+008 ga Phe13HN-HE# 8.153 7.342 7.89e+008 ga Phe13HE#-HN 7.342 8.153 7.03e+008 ga Leu14HN-Phe13HE# 7.805 7.342 2.46e+008 ga Phe13HE#-Leu14HN 7.342 7.805 2.26e+008 ga Phe13HE#-Lys16HB1 7.342 1.789 1.84e+008 ga Phe13HN-Asp10HA 8.152 4.248 5.70e+008 ga Phe13HN-HZ 8.152 7.244 1.72e+008 ga Phe13HZ-HN 7.247 8.151 1.47e+008 ga Phe13HZ-Arg15HG 7.245 1.494 2.60e+008 ga Phe13HZ-Lys16HB1 7.238 1.790 6.08e+008 ga Phe13HE#-Leu14HA 7.342 4.247 3.10e+008 ga Leu14HA-Phe13HE# 4.247 7.341 3.06e+008 ga Leu14HA-Phe13HN 4.249 8.153 6.12e+008 ga Leu14HA-Phe13HZ 4.246 7.245 8.59e+007 ga Leu14HN-HA 7.805 4.247 2.14e+009 ga Leu14HA-HN 4.248 7.804 2.48e+009 ga Arg15HN-Leu14HA 7.876 4.247 2.15e+009 ga Leu14HA-Arg15HN 4.247 7.876 2.40e+009 ga Phe11HE#-Leu14HB1 7.187 1.739 2.61e+008 ga Leu14HB1-Phe11HE# 1.736 7.186 4.12e+008 ga Leu14HB1-Phe11HN 1.744 7.686 3.90e+008 ga Phe13HN-Leu14HB1 8.152 1.740 6.36e+009 ga Leu14HB1-Phe13HN 1.735 8.152 9.10e+009 ga Leu14HB1-HN 1.735 7.805 2.40e+009 ga Leu14HB2-Asp10HB1 1.545 3.011 6.27e+009 ga Phe13HN-Leu14HB2 8.154 1.543 5.97e+009 ga Leu14HB2-Phe13HN 1.547 8.152 1.71e+008 ga Leu14HB2-HA 1.545 4.247 2.81e+009 ga Leu14HB2-HB1 1.546 1.736 7.64e+009 ga Leu14HB2-HD2# 1.546 0.838 2.94e+009 ga Leu14HN-HB2 7.805 1.543 1.56e+009 ga Leu14HB2-HN 1.546 7.804 1.82e+009 ga Arg15HN-Leu14HB2 7.877 1.541 6.75e+008 ga Leu14HB2-Arg15HN 1.545 7.876 7.68e+008 ga Leu14HD1#-Asp10HB1 0.860 3.014 2.12e+009 ga Leu14HD1#-Phe13HB1 0.860 3.239 7.46e+008 ga Phe13HE#-Leu14HD1# 7.342 0.859 1.27e+009 ga Leu14HD1#-Phe13HE# 0.859 7.342 1.97e+009 ga Phe13HZ-Leu14HD1# 7.245 0.859 1.62e+009 ga Leu14HD1#-Phe13HZ 0.859 7.245 2.09e+009 ga Leu14HN-HD1# 7.805 0.859 7.19e+008 ga Leu14HD1#-HN 0.859 7.805 9.26e+008 ga Leu14HD1#-Lys16HN 0.860 8.048 2.02e+009 ga Leu14HA-HD2# 4.247 0.838 3.68e+009 ga Leu14HD2#-HA 0.839 4.247 8.08e+009 ga Leu14HN-HD2# 7.805 0.837 7.03e+008 ga Leu14HD2#-HN 0.842 7.804 1.51e+009 ga Leu14HD2#-Arg15HA 0.843 4.161 3.00e+008 ga Leu14HG-Asp10HB1 1.641 3.009 8.41e+008 ga Phe13HE#-Leu14HG 7.341 1.641 3.99e+008 ga Leu14HG-Phe13HE# 1.640 7.341 2.50e+008 ga Leu14HG-HA 1.638 4.246 1.74e+009 ga Leu14HG-HD1# 1.638 0.857 4.13e+009 ga Leu14HG-HD2# 1.638 0.836 4.25e+009 ga Leu14HN-HG 7.805 1.638 4.10e+010 ga Leu14HG-HN 1.638 7.804 1.95e+009 ga Leu14HN-Leu9HD2# 7.804 0.781 2.30e+008 ga Leu14HN-Phe11HE# 7.804 7.186 1.45e+008 ga Leu14HN-Phe11HN 7.804 7.683 2.61e+008 ga Leu12HN-Leu14HN 8.088 7.805 3.62e+008 ga Leu14HN-Leu12HN 7.804 8.086 2.57e+008 ga Phe13HN-Leu14HN 8.154 7.805 1.30e+009 ga Leu14HN-Phe13HN 7.805 8.154 1.26e+009 ga Leu14HN-Phe13HZ 7.803 7.245 7.64e+007 ga Leu14HN-Arg15HB1 7.805 1.736 1.26e+009 ga Arg15HN-Leu14HN 7.876 7.804 1.74e+009 ga Leu14HN-Arg15HN 7.805 7.875 1.26e+009 ga Phe11HE#-Arg15HA 7.186 4.161 2.63e+008 ga Arg15HA-Phe11HE# 4.161 7.186 1.89e+008 ga Arg15HA-Leu12HD2# 4.165 0.782 5.82e+007 ga Arg15HA-Leu14HD1# 4.161 0.859 1.12e+008 ga Leu14HN-Arg15HA 7.804 4.161 2.29e+008 ga Arg15HA-Leu14HN 4.161 7.806 3.51e+008 ga Arg15HE-HA 7.422 4.161 2.16e+008 ga Arg15HA-HE 4.163 7.422 1.07e+008 ga Arg15HN-HA 7.877 4.161 1.97e+009 ga Arg15HA-HN 4.162 7.876 1.80e+009 ga Arg15HA-Lys16HB2 4.161 1.669 2.37e+009 ga Lys16HN-Arg15HA 8.044 4.161 2.55e+009 ga Arg15HA-Lys16HN 4.161 8.044 2.58e+009 ga Phe13HE#-Arg15HB1 7.341 1.736 5.45e+008 ga Arg15HB1-Phe13HE# 1.732 7.340 7.07e+008 ga Arg15HB1-Leu14HA 1.735 4.247 2.79e+009 ga Arg15HA-HB1 4.161 1.736 2.37e+009 ga Arg15HB1-HA 1.735 4.160 2.76e+009 ga Arg15HB1-HD# 1.735 2.989 1.73e+009 ga Arg15HB1-HE 1.736 7.422 1.67e+008 ga Arg15HB1-HN 1.736 7.875 7.74e+009 ga Lys16HN-Arg15HB1 8.045 1.736 3.71e+008 ga Arg15HB1-Lys16HN 1.735 8.044 4.54e+008 ga Lys17HE#-Arg15HB1 2.912 1.730 2.37e+008 ga Arg15HB1-Lys17HE# 1.736 2.910 1.88e+008 ga Arg15HB2-HA 1.669 4.160 2.63e+009 ga Arg15HD#-HB2 2.989 1.669 2.04e+009 ga Arg15HB2-HD# 1.669 2.989 1.53e+009 ga Arg15HB2-HE 1.670 7.420 1.86e+008 ga Arg15HB2-HN 1.669 7.875 1.74e+009 ga Arg15HD#-Leu9HD2# 2.989 0.779 7.28e+008 ga Phe11HE#-Arg15HD# 7.188 2.989 7.73e+008 ga Arg15HD#-Phe11HE# 2.989 7.187 7.42e+008 ga Leu12HA-Arg15HD# 3.793 2.988 9.66e+008 ga Arg15HD#-Leu12HA 2.991 3.792 7.73e+008 ga Arg15HD#-Leu14HB1 2.990 1.738 1.56e+009 ga Arg15HA-HD# 4.161 2.989 1.30e+009 ga Arg15HD#-HA 2.989 4.161 1.31e+009 ga Arg15HE-HD# 7.421 2.989 5.66e+008 ga Arg15HD#-HE 2.988 7.421 9.28e+008 ga Arg15HN-HD# 7.876 2.988 8.00e+008 ga Arg15HD#-HN 2.989 7.875 6.66e+008 ga Lys16HN-Arg15HD# 8.045 2.988 1.41e+008 ga Arg15HD#-Lys16HN 2.988 8.044 2.02e+008 ga Arg15HE-Leu14HB1 7.423 1.738 9.28e+007 ga Phe11HE#-Arg15HG 7.188 1.493 4.10e+008 ga Arg15HG-Phe11HE# 1.494 7.187 4.70e+008 ga Leu12HA-Arg15HG 3.790 1.493 6.95e+008 ga Arg15HG-Leu12HA 1.494 3.794 8.19e+008 ga Arg15HG-Phe13HN 1.497 8.147 2.01e+008 ga Arg15HG-Leu14HN 1.497 7.803 4.52e+008 ga Arg15HA-HG 4.161 1.493 2.03e+009 ga Arg15HG-HA 1.494 4.160 2.22e+009 ga Arg15HG-HB1 1.499 1.740 3.67e+009 ga Arg15HG-HB2 1.499 1.672 3.13e+009 ga Arg15HD#-HG 2.988 1.493 5.64e+009 ga Arg15HG-HD# 1.494 2.989 4.83e+009 ga Arg15HE-HG 7.423 1.487 4.04e+008 ga Arg15HG-HE 1.494 7.421 4.87e+008 ga Arg15HN-HG 7.876 1.495 1.54e+009 ga Arg15HG-HN 1.495 7.876 1.98e+009 ga Lys16HN-Arg15HG 8.046 1.492 4.69e+008 ga Arg15HG-Lys16HN 1.495 8.044 9.43e+008 ga Lys17HA-Arg15HG 4.052 1.487 2.21e+008 ga Arg15HG-Lys17HA 1.500 4.054 1.04e+009 ga Arg15HG-Lys17HE# 1.486 2.903 1.53e+008 ga Arg15HN-Phe13HB1 7.875 3.243 1.06e+008 ga Arg15HN-Phe13HE# 7.880 7.342 1.19e+007 ga Phe13HN-Arg15HN 8.153 7.875 1.68e+008 ga Arg15HN-Phe13HN 7.873 8.151 1.82e+008 ga Arg15HN-Leu14HB1 7.875 1.738 1.61e+009 ga Arg15HN-Lys16HB2 7.876 1.668 4.23e+010 ga Lys16HN-Arg15HN 8.044 7.875 8.81e+008 ga Arg15HN-Lys16HN 7.877 8.043 7.42e+008 ga Lys16HN-HA 8.044 4.219 1.49e+009 ga Lys16HA-HN 4.219 8.044 1.53e+009 ga Lys17HN-Lys16HA 7.846 4.218 4.25e+009 ga Lys16HA-Lys17HN 4.218 7.845 4.25e+009 ga Lys16HA-HB1 4.219 1.790 2.25e+009 ga Lys16HB1-HA 1.788 4.218 2.40e+009 ga Lys16HN-HB1 8.045 1.790 8.67e+008 ga Lys16HB1-HN 1.789 8.044 1.20e+009 ga Lys17HE#-Lys16HB1 2.908 1.789 3.20e+008 ga Lys16HB1-Lys17HE# 1.788 2.906 1.79e+008 ga Lys16HA-HB2 4.219 1.665 2.01e+009 ga Lys16HB2-HA 1.668 4.218 2.02e+009 ga Lys16HB2-HB1 1.668 1.792 1.25e+010 ga Lys16HN-HB2 8.045 1.666 1.56e+009 ga Lys16HB2-HN 1.668 8.044 2.29e+009 ga Lys17HE#-Lys16HB2 2.909 1.668 8.92e+009 ga Lys16HB2-Lys17HE# 1.668 2.906 2.35e+008 ga Lys16HD#-Phe13HE# 1.606 7.340 1.14e+008 ga Lys16HA-HD# 4.219 1.608 7.52e+008 ga Lys16HD#-HA 1.604 4.218 1.04e+009 ga Lys16HN-HD# 8.045 1.612 6.78e+009 ga Lys16HD#-HN 1.602 8.040 7.07e+008 ga Lys17HA-Lys16HD# 4.055 1.600 5.90e+007 ga Lys16HD#-Lys17HA 1.598 4.052 5.64e+008 ga Lys16HD#-Lys17HE# 1.610 2.908 2.11e+009 ga Lys16HG#-Arg15HB2 1.383 1.676 2.01e+009 ga Lys16HA-HG# 4.219 1.377 1.50e+009 ga Lys16HG#-HA 1.379 4.218 1.72e+009 ga Lys16HG#-HB1 1.378 1.782 1.95e+009 ga Lys16HN-HG# 8.044 1.380 6.91e+008 ga Lys16HG#-HN 1.381 8.044 9.65e+008 ga Lys17HE#-Lys16HG# 2.908 1.377 1.91e+009 ga Lys16HG#-Lys17HE# 1.379 2.907 1.62e+009 ga Lys17HN-Lys16HG# 7.845 1.378 3.82e+008 ga Lys16HG#-Lys17HN 1.379 7.845 5.58e+008 ga Lys16HN-Leu14HB2 8.043 1.541 4.77e+007 ga Lys16HN-Leu14HN 8.047 7.801 2.12e+008 ga Lys16HN-Lys17HA 8.046 4.052 8.69e+007 ga Lys17HN-HA 7.846 4.056 1.62e+009 ga Lys17HA-HN 4.056 7.845 1.37e+009 ga Lys17HA-HB2 4.055 1.643 1.27e+008 ga Lys17HB2-HA 1.642 4.053 1.19e+009 ga Lys17HB2-HN 1.645 7.845 2.71e+009 ga Lys17HE#-Phe13HE# 2.906 7.341 5.91e+007 ga Lys17HE#-Leu14HD1# 2.909 0.859 9.72e+007 ga Lys17HE#-Leu14HD2# 2.911 0.838 1.05e+008 ga Lys17HE#-HN 2.910 7.844 6.54e+007 ga Lys17HG#-Lys16HB2 1.334 1.660 1.11e+009 ga Lys17HA-HG# 4.055 1.332 4.36e+008 ga Lys17HG#-HA 1.332 4.055 8.54e+008 ga Lys17HN-HG# 7.845 1.332 5.51e+008 ga Lys17HG#-HN 1.332 7.845 7.94e+008 ga Lys17HN-Lys16HN 7.846 8.043 6.83e+008 ga ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 9.0 ppm . . . 4.5 . . 30432 1 2 . . H 1 H . . 10.0 ppm . . . 5.0 . . 30432 1 stop_ save_