data_30430 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30430 _Entry.Title ; CSP1-F11A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-12 _Entry.Accession_date 2018-03-12 _Entry.Last_release_date 2018-05-29 _Entry.Original_release_date 2018-05-29 _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' 30430 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. . . . 30430 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CSP . 30430 'SIGNALING PROTEIN' . 30430 pneumococcus . 30430 'quorum sensing' . 30430 'signaling molecule' . 30430 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30430 spectral_peak_list 1 30430 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 32 30430 '15N chemical shifts' 15 30430 '1H chemical shifts' 110 30430 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' 30430 1 . . 2018-08-22 2018-03-12 original author 'original release' 30430 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30427 CSP1-E1A 30430 BMRB 30428 CSP1-R3A 30430 BMRB 30429 CSP1-K6A 30430 PDB 6COR . 30430 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30430 _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. . . . 30430 1 2 G. Cornilescu G. . . . 30430 1 3 Y. Tal-Gan Y. . . . 30430 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30430 _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 . _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 . . . . . . 30430 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30430 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Competence-stimulating peptide type 1' _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 ; EMRLSKFFRDAILQRKK ; _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 no _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 F11A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2172.639 _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-1 na 30430 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 . 30430 1 2 . MET . 30430 1 3 . ARG . 30430 1 4 . LEU . 30430 1 5 . SER . 30430 1 6 . LYS . 30430 1 7 . PHE . 30430 1 8 . PHE . 30430 1 9 . ARG . 30430 1 10 . ASP . 30430 1 11 . ALA . 30430 1 12 . ILE . 30430 1 13 . LEU . 30430 1 14 . GLN . 30430 1 15 . ARG . 30430 1 16 . LYS . 30430 1 17 . LYS . 30430 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 30430 1 . MET 2 2 30430 1 . ARG 3 3 30430 1 . LEU 4 4 30430 1 . SER 5 5 30430 1 . LYS 6 6 30430 1 . PHE 7 7 30430 1 . PHE 8 8 30430 1 . ARG 9 9 30430 1 . ASP 10 10 30430 1 . ALA 11 11 30430 1 . ILE 12 12 30430 1 . LEU 13 13 30430 1 . GLN 14 14 30430 1 . ARG 15 15 30430 1 . LYS 16 16 30430 1 . LYS 17 17 30430 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 30430 _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 'cellular organisms' . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . 30430 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 30430 _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' . . . . . . . . . . . . . . . . 30430 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30430 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 mM D DPC, 1.9 mM competence stimulating peptide type 1 mutant -CSP1F11A, 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 'natural abundance' . . . . . . 250 . . mM . . . . 30430 1 2 'competence stimulating peptide type 1 mutant -CSP1F11A' 'natural abundance' . . 1 $entity_1 . . 1.9 . . mM . . . . 30430 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 30430 _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 30430 1 pH 7.4 . pH 30430 1 pressure 1 . atm 30430 1 temperature 298 . K 30430 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30430 _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' . . 30430 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30430 1 'structure calculation' 30430 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30430 _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 . . 30430 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30430 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 30430 _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 30430 _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 . . . 30430 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 30430 _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 . . . . . . . . . . . . . . . . 30430 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30430 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30430 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30430 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30430 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 30430 _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 . . . . . 30430 1 H 1 water protons . . . . ppm 4.771 na direct 1.000000000 . . . . . 30430 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 30430 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 30430 _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' . . . 30430 1 2 '2D 1H-1H TOCSY' . . . 30430 1 3 '2D 1H-1H NOESY' . . . 30430 1 4 '2D 1H-15N HSQC' . . . 30430 1 5 '2D 1H-13C HSQC' . . . 30430 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 4.488 0.00 . . . . . . A 2 MET HA . 30430 1 2 . 1 1 2 2 MET HB2 H 1 2.068 0.00 . . . . . . A 2 MET HB2 . 30430 1 3 . 1 1 2 2 MET HB3 H 1 2.020 0.00 . . . . . . A 2 MET HB3 . 30430 1 4 . 1 1 2 2 MET HG2 H 1 2.587 0.00 . . . . . . A 2 MET HG2 . 30430 1 5 . 1 1 2 2 MET HG3 H 1 2.553 0.00 . . . . . . A 2 MET HG3 . 30430 1 6 . 1 1 2 2 MET CA C 13 53.304 0.00 . . . . . . A 2 MET CA . 30430 1 7 . 1 1 2 2 MET CB C 13 30.829 0.00 . . . . . . A 2 MET CB . 30430 1 8 . 1 1 3 3 ARG H H 1 8.826 0.00 . . . . . . A 3 ARG H . 30430 1 9 . 1 1 3 3 ARG HA H 1 4.321 0.00 . . . . . . A 3 ARG HA . 30430 1 10 . 1 1 3 3 ARG HB2 H 1 1.851 0.01 . . . . . . A 3 ARG HB2 . 30430 1 11 . 1 1 3 3 ARG HB3 H 1 1.664 0.00 . . . . . . A 3 ARG HB3 . 30430 1 12 . 1 1 3 3 ARG HG2 H 1 1.593 0.00 . . . . . . A 3 ARG HG2 . 30430 1 13 . 1 1 3 3 ARG HD2 H 1 3.187 0.00 . . . . . . A 3 ARG HD2 . 30430 1 14 . 1 1 3 3 ARG HD3 H 1 3.165 0.00 . . . . . . A 3 ARG HD3 . 30430 1 15 . 1 1 3 3 ARG CA C 13 54.436 0.00 . . . . . . A 3 ARG CA . 30430 1 16 . 1 1 3 3 ARG CB C 13 27.853 0.00 . . . . . . A 3 ARG CB . 30430 1 17 . 1 1 3 3 ARG N N 15 124.287 0.00 . . . . . . A 3 ARG N . 30430 1 18 . 1 1 4 4 LEU H H 1 8.769 0.00 . . . . . . A 4 LEU H . 30430 1 19 . 1 1 4 4 LEU HA H 1 4.143 0.00 . . . . . . A 4 LEU HA . 30430 1 20 . 1 1 4 4 LEU HB2 H 1 1.767 0.00 . . . . . . A 4 LEU HB2 . 30430 1 21 . 1 1 4 4 LEU HB3 H 1 1.589 0.00 . . . . . . A 4 LEU HB3 . 30430 1 22 . 1 1 4 4 LEU HG H 1 1.705 0.00 . . . . . . A 4 LEU HG . 30430 1 23 . 1 1 4 4 LEU HD11 H 1 0.919 0.00 . . . . . . A 4 LEU HD11 . 30430 1 24 . 1 1 4 4 LEU HD12 H 1 0.919 0.00 . . . . . . A 4 LEU HD12 . 30430 1 25 . 1 1 4 4 LEU HD13 H 1 0.919 0.00 . . . . . . A 4 LEU HD13 . 30430 1 26 . 1 1 4 4 LEU HD21 H 1 0.829 0.00 . . . . . . A 4 LEU HD21 . 30430 1 27 . 1 1 4 4 LEU HD22 H 1 0.829 0.00 . . . . . . A 4 LEU HD22 . 30430 1 28 . 1 1 4 4 LEU HD23 H 1 0.829 0.00 . . . . . . A 4 LEU HD23 . 30430 1 29 . 1 1 4 4 LEU CA C 13 54.904 0.00 . . . . . . A 4 LEU CA . 30430 1 30 . 1 1 4 4 LEU CB C 13 39.630 0.00 . . . . . . A 4 LEU CB . 30430 1 31 . 1 1 4 4 LEU N N 15 121.556 0.00 . . . . . . A 4 LEU N . 30430 1 32 . 1 1 5 5 SER H H 1 8.365 0.00 . . . . . . A 5 SER H . 30430 1 33 . 1 1 5 5 SER HA H 1 4.076 0.00 . . . . . . A 5 SER HA . 30430 1 34 . 1 1 5 5 SER HB2 H 1 3.943 0.00 . . . . . . A 5 SER HB2 . 30430 1 35 . 1 1 5 5 SER HB3 H 1 3.922 0.00 . . . . . . A 5 SER HB3 . 30430 1 36 . 1 1 5 5 SER CA C 13 59.158 0.00 . . . . . . A 5 SER CA . 30430 1 37 . 1 1 5 5 SER CB C 13 59.895 0.00 . . . . . . A 5 SER CB . 30430 1 38 . 1 1 5 5 SER N N 15 114.136 0.00 . . . . . . A 5 SER N . 30430 1 39 . 1 1 6 6 LYS H H 1 7.639 0.00 . . . . . . A 6 LYS H . 30430 1 40 . 1 1 6 6 LYS HA H 1 3.945 0.00 . . . . . . A 6 LYS HA . 30430 1 41 . 1 1 6 6 LYS HB2 H 1 1.815 0.00 . . . . . . A 6 LYS HB2 . 30430 1 42 . 1 1 6 6 LYS HB3 H 1 1.775 0.00 . . . . . . A 6 LYS HB3 . 30430 1 43 . 1 1 6 6 LYS HG2 H 1 1.337 0.00 . . . . . . A 6 LYS HG2 . 30430 1 44 . 1 1 6 6 LYS HD2 H 1 1.643 0.00 . . . . . . A 6 LYS HD2 . 30430 1 45 . 1 1 6 6 LYS HE2 H 1 2.962 0.01 . . . . . . A 6 LYS HE2 . 30430 1 46 . 1 1 6 6 LYS CA C 13 56.654 0.00 . . . . . . A 6 LYS CA . 30430 1 47 . 1 1 6 6 LYS CB C 13 29.819 0.00 . . . . . . A 6 LYS CB . 30430 1 48 . 1 1 6 6 LYS N N 15 122.133 0.00 . . . . . . A 6 LYS N . 30430 1 49 . 1 1 7 7 PHE H H 1 7.861 0.00 . . . . . . A 7 PHE H . 30430 1 50 . 1 1 7 7 PHE HA H 1 4.254 0.00 . . . . . . A 7 PHE HA . 30430 1 51 . 1 1 7 7 PHE HB2 H 1 3.138 0.00 . . . . . . A 7 PHE HB2 . 30430 1 52 . 1 1 7 7 PHE HB3 H 1 2.976 0.00 . . . . . . A 7 PHE HB3 . 30430 1 53 . 1 1 7 7 PHE HD2 H 1 6.910 0.00 . . . . . . A 7 PHE HD2 . 30430 1 54 . 1 1 7 7 PHE HE2 H 1 7.084 0.00 . . . . . . A 7 PHE HE2 . 30430 1 55 . 1 1 7 7 PHE CA C 13 58.293 0.00 . . . . . . A 7 PHE CA . 30430 1 56 . 1 1 7 7 PHE CB C 13 36.471 0.00 . . . . . . A 7 PHE CB . 30430 1 57 . 1 1 7 7 PHE N N 15 118.220 0.00 . . . . . . A 7 PHE N . 30430 1 58 . 1 1 8 8 PHE H H 1 8.090 0.00 . . . . . . A 8 PHE H . 30430 1 59 . 1 1 8 8 PHE HA H 1 4.060 0.00 . . . . . . A 8 PHE HA . 30430 1 60 . 1 1 8 8 PHE HB2 H 1 3.073 0.00 . . . . . . A 8 PHE HB2 . 30430 1 61 . 1 1 8 8 PHE HD2 H 1 7.091 0.00 . . . . . . A 8 PHE HD2 . 30430 1 62 . 1 1 8 8 PHE HE2 H 1 7.211 0.00 . . . . . . A 8 PHE HE2 . 30430 1 63 . 1 1 8 8 PHE HZ H 1 7.178 0.00 . . . . . . A 8 PHE HZ . 30430 1 64 . 1 1 8 8 PHE CA C 13 58.562 0.00 . . . . . . A 8 PHE CA . 30430 1 65 . 1 1 8 8 PHE CB C 13 36.870 0.00 . . . . . . A 8 PHE CB . 30430 1 66 . 1 1 8 8 PHE N N 15 116.800 0.00 . . . . . . A 8 PHE N . 30430 1 67 . 1 1 9 9 ARG H H 1 8.232 0.00 . . . . . . A 9 ARG H . 30430 1 68 . 1 1 9 9 ARG HA H 1 3.790 0.00 . . . . . . A 9 ARG HA . 30430 1 69 . 1 1 9 9 ARG HB2 H 1 1.909 0.00 . . . . . . A 9 ARG HB2 . 30430 1 70 . 1 1 9 9 ARG HB3 H 1 1.740 0.00 . . . . . . A 9 ARG HB3 . 30430 1 71 . 1 1 9 9 ARG HG2 H 1 1.550 0.00 . . . . . . A 9 ARG HG2 . 30430 1 72 . 1 1 9 9 ARG HD2 H 1 3.191 0.00 . . . . . . A 9 ARG HD2 . 30430 1 73 . 1 1 9 9 ARG HD3 H 1 3.157 0.00 . . . . . . A 9 ARG HD3 . 30430 1 74 . 1 1 9 9 ARG HE H 1 7.443 0.00 . . . . . . A 9 ARG HE . 30430 1 75 . 1 1 9 9 ARG CA C 13 57.428 0.00 . . . . . . A 9 ARG CA . 30430 1 76 . 1 1 9 9 ARG CB C 13 27.555 0.00 . . . . . . A 9 ARG CB . 30430 1 77 . 1 1 9 9 ARG N N 15 118.873 0.00 . . . . . . A 9 ARG N . 30430 1 78 . 1 1 10 10 ASP H H 1 8.441 0.00 . . . . . . A 10 ASP H . 30430 1 79 . 1 1 10 10 ASP HA H 1 4.290 0.00 . . . . . . A 10 ASP HA . 30430 1 80 . 1 1 10 10 ASP HB2 H 1 2.647 0.01 . . . . . . A 10 ASP HB2 . 30430 1 81 . 1 1 10 10 ASP HB3 H 1 2.457 0.00 . . . . . . A 10 ASP HB3 . 30430 1 82 . 1 1 10 10 ASP CA C 13 54.215 0.00 . . . . . . A 10 ASP CA . 30430 1 83 . 1 1 10 10 ASP CB C 13 37.428 0.00 . . . . . . A 10 ASP CB . 30430 1 84 . 1 1 10 10 ASP N N 15 118.046 0.00 . . . . . . A 10 ASP N . 30430 1 85 . 1 1 11 11 ALA H H 1 7.807 0.00 . . . . . . A 11 ALA H . 30430 1 86 . 1 1 11 11 ALA HA H 1 3.991 0.00 . . . . . . A 11 ALA HA . 30430 1 87 . 1 1 11 11 ALA HB1 H 1 1.115 0.00 . . . . . . A 11 ALA HB1 . 30430 1 88 . 1 1 11 11 ALA HB2 H 1 1.115 0.00 . . . . . . A 11 ALA HB2 . 30430 1 89 . 1 1 11 11 ALA HB3 H 1 1.115 0.00 . . . . . . A 11 ALA HB3 . 30430 1 90 . 1 1 11 11 ALA CA C 13 51.648 0.00 . . . . . . A 11 ALA CA . 30430 1 91 . 1 1 11 11 ALA CB C 13 15.911 0.00 . . . . . . A 11 ALA CB . 30430 1 92 . 1 1 11 11 ALA N N 15 120.875 0.00 . . . . . . A 11 ALA N . 30430 1 93 . 1 1 12 12 ILE H H 1 7.582 0.00 . . . . . . A 12 ILE H . 30430 1 94 . 1 1 12 12 ILE HA H 1 3.819 0.00 . . . . . . A 12 ILE HA . 30430 1 95 . 1 1 12 12 ILE HB H 1 1.849 0.00 . . . . . . A 12 ILE HB . 30430 1 96 . 1 1 12 12 ILE HG12 H 1 1.476 0.00 . . . . . . A 12 ILE HG12 . 30430 1 97 . 1 1 12 12 ILE HG13 H 1 1.053 0.00 . . . . . . A 12 ILE HG13 . 30430 1 98 . 1 1 12 12 ILE HG21 H 1 0.778 0.00 . . . . . . A 12 ILE HG21 . 30430 1 99 . 1 1 12 12 ILE HG22 H 1 0.778 0.00 . . . . . . A 12 ILE HG22 . 30430 1 100 . 1 1 12 12 ILE HG23 H 1 0.778 0.00 . . . . . . A 12 ILE HG23 . 30430 1 101 . 1 1 12 12 ILE HD11 H 1 0.708 0.00 . . . . . . A 12 ILE HD11 . 30430 1 102 . 1 1 12 12 ILE HD12 H 1 0.708 0.00 . . . . . . A 12 ILE HD12 . 30430 1 103 . 1 1 12 12 ILE HD13 H 1 0.708 0.00 . . . . . . A 12 ILE HD13 . 30430 1 104 . 1 1 12 12 ILE CA C 13 60.490 0.00 . . . . . . A 12 ILE CA . 30430 1 105 . 1 1 12 12 ILE CB C 13 35.424 0.00 . . . . . . A 12 ILE CB . 30430 1 106 . 1 1 12 12 ILE N N 15 115.082 0.00 . . . . . . A 12 ILE N . 30430 1 107 . 1 1 13 13 LEU H H 1 7.902 0.00 . . . . . . A 13 LEU H . 30430 1 108 . 1 1 13 13 LEU HA H 1 4.092 0.00 . . . . . . A 13 LEU HA . 30430 1 109 . 1 1 13 13 LEU HB2 H 1 1.811 0.00 . . . . . . A 13 LEU HB2 . 30430 1 110 . 1 1 13 13 LEU HB3 H 1 1.528 0.00 . . . . . . A 13 LEU HB3 . 30430 1 111 . 1 1 13 13 LEU HG H 1 1.658 0.00 . . . . . . A 13 LEU HG . 30430 1 112 . 1 1 13 13 LEU HD11 H 1 0.877 0.00 . . . . . . A 13 LEU HD11 . 30430 1 113 . 1 1 13 13 LEU HD12 H 1 0.877 0.00 . . . . . . A 13 LEU HD12 . 30430 1 114 . 1 1 13 13 LEU HD13 H 1 0.877 0.00 . . . . . . A 13 LEU HD13 . 30430 1 115 . 1 1 13 13 LEU HD21 H 1 0.825 0.00 . . . . . . A 13 LEU HD21 . 30430 1 116 . 1 1 13 13 LEU HD22 H 1 0.825 0.00 . . . . . . A 13 LEU HD22 . 30430 1 117 . 1 1 13 13 LEU HD23 H 1 0.825 0.00 . . . . . . A 13 LEU HD23 . 30430 1 118 . 1 1 13 13 LEU CA C 13 54.000 0.00 . . . . . . A 13 LEU CA . 30430 1 119 . 1 1 13 13 LEU CB C 13 39.119 0.00 . . . . . . A 13 LEU CB . 30430 1 120 . 1 1 13 13 LEU N N 15 118.824 0.00 . . . . . . A 13 LEU N . 30430 1 121 . 1 1 14 14 GLN H H 1 7.805 0.00 . . . . . . A 14 GLN H . 30430 1 122 . 1 1 14 14 GLN HA H 1 4.151 0.00 . . . . . . A 14 GLN HA . 30430 1 123 . 1 1 14 14 GLN HB2 H 1 2.079 0.00 . . . . . . A 14 GLN HB2 . 30430 1 124 . 1 1 14 14 GLN HB3 H 1 1.989 0.00 . . . . . . A 14 GLN HB3 . 30430 1 125 . 1 1 14 14 GLN HG2 H 1 2.305 0.01 . . . . . . A 14 GLN HG2 . 30430 1 126 . 1 1 14 14 GLN HE22 H 1 7.469 0.00 . . . . . . A 14 GLN HE22 . 30430 1 127 . 1 1 14 14 GLN CA C 13 53.656 0.00 . . . . . . A 14 GLN CA . 30430 1 128 . 1 1 14 14 GLN CB C 13 25.895 0.00 . . . . . . A 14 GLN CB . 30430 1 129 . 1 1 14 14 GLN N N 15 116.777 0.00 . . . . . . A 14 GLN N . 30430 1 130 . 1 1 15 15 ARG H H 1 7.667 0.00 . . . . . . A 15 ARG H . 30430 1 131 . 1 1 15 15 ARG HA H 1 4.208 0.00 . . . . . . A 15 ARG HA . 30430 1 132 . 1 1 15 15 ARG HB2 H 1 1.847 0.00 . . . . . . A 15 ARG HB2 . 30430 1 133 . 1 1 15 15 ARG HB3 H 1 1.722 0.00 . . . . . . A 15 ARG HB3 . 30430 1 134 . 1 1 15 15 ARG HG2 H 1 1.605 0.00 . . . . . . A 15 ARG HG2 . 30430 1 135 . 1 1 15 15 ARG HD2 H 1 3.119 0.00 . . . . . . A 15 ARG HD2 . 30430 1 136 . 1 1 15 15 ARG HE H 1 7.522 0.00 . . . . . . A 15 ARG HE . 30430 1 137 . 1 1 15 15 ARG CA C 13 53.664 0.00 . . . . . . A 15 ARG CA . 30430 1 138 . 1 1 15 15 ARG CB C 13 27.886 0.00 . . . . . . A 15 ARG CB . 30430 1 139 . 1 1 15 15 ARG N N 15 119.532 0.00 . . . . . . A 15 ARG N . 30430 1 140 . 1 1 16 16 LYS H H 1 8.099 0.00 . . . . . . A 16 LYS H . 30430 1 141 . 1 1 16 16 LYS HA H 1 4.237 0.00 . . . . . . A 16 LYS HA . 30430 1 142 . 1 1 16 16 LYS HB2 H 1 1.821 0.00 . . . . . . A 16 LYS HB2 . 30430 1 143 . 1 1 16 16 LYS HB3 H 1 1.693 0.00 . . . . . . A 16 LYS HB3 . 30430 1 144 . 1 1 16 16 LYS HG2 H 1 1.405 0.01 . . . . . . A 16 LYS HG2 . 30430 1 145 . 1 1 16 16 LYS HD2 H 1 1.608 0.00 . . . . . . A 16 LYS HD2 . 30430 1 146 . 1 1 16 16 LYS CA C 13 53.698 0.00 . . . . . . A 16 LYS CA . 30430 1 147 . 1 1 16 16 LYS CB C 13 30.323 0.00 . . . . . . A 16 LYS CB . 30430 1 148 . 1 1 16 16 LYS N N 15 122.154 0.00 . . . . . . A 16 LYS N . 30430 1 149 . 1 1 17 17 LYS H H 1 7.814 0.00 . . . . . . A 17 LYS H . 30430 1 150 . 1 1 17 17 LYS HA H 1 4.055 0.00 . . . . . . A 17 LYS HA . 30430 1 151 . 1 1 17 17 LYS HB2 H 1 1.741 0.00 . . . . . . A 17 LYS HB2 . 30430 1 152 . 1 1 17 17 LYS HB3 H 1 1.651 0.00 . . . . . . A 17 LYS HB3 . 30430 1 153 . 1 1 17 17 LYS HG2 H 1 1.339 0.00 . . . . . . A 17 LYS HG2 . 30430 1 154 . 1 1 17 17 LYS HD2 H 1 1.607 0.00 . . . . . . A 17 LYS HD2 . 30430 1 155 . 1 1 17 17 LYS CA C 13 55.158 0.00 . . . . . . A 17 LYS CA . 30430 1 156 . 1 1 17 17 LYS CB C 13 30.987 0.00 . . . . . . A 17 LYS CB . 30430 1 157 . 1 1 17 17 LYS N N 15 127.848 0.00 . . . . . . A 17 LYS N . 30430 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 30430 _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 Met2HA-HB2 4.489 2.020 2.17e+008 ga Met2HA-Arg3HB2 4.488 1.667 2.92e+008 ga Met2HA-Arg3HG# 4.488 1.589 1.98e+008 ga Arg3HN-Met2HA 8.826 4.488 8.80e+008 ga Met2HA-Arg3HN 4.488 8.826 8.50e+008 ga Met2HA-Leu4HN 4.488 8.769 1.39e+008 ga Met2HA-HB1 4.488 2.069 2.66e+009 ga Met2HB1-HA 2.069 4.484 1.49e+009 ga Arg3HA-Met2HB1 4.323 2.067 2.01e+008 ga Met2HB1-Arg3HA 2.069 4.321 3.35e+008 ga Arg3HN-Met2HB1 8.826 2.068 7.15e+008 ga Met2HB1-Arg3HN 2.068 8.826 3.00e+008 ga Leu4HN-Met2HB1 8.769 2.069 3.69e+008 ga Met2HB1-Leu4HN 2.068 8.769 2.02e+008 ga Met2HB1-Ser5HA 2.069 4.077 5.21e+008 ga Ser5HB1-Met2HB1 3.943 2.067 8.18e+008 ga Met2HB1-Ser5HB1 2.068 3.941 3.63e+008 ga Met2HB1-Ser5HB2 2.068 3.923 5.62e+008 ga Ser5HN-Met2HB1 8.366 2.069 2.83e+008 ga Met2HB1-Ser5HN 2.068 8.365 3.66e+008 ga Met2HB2-Ser5HA 2.019 4.076 2.49e+008 ga Met2HB2-Ser5HB1 2.021 3.937 6.61e+008 ga Met2HB2-Ser5HB2 2.021 3.924 1.21e+008 ga Ser5HN-Met2HB2 8.364 2.019 1.06e+008 ga Met2HB2-Ser5HN 2.021 8.365 1.08e+008 ga Met2HG1-HA 2.589 4.487 3.17e+008 ga Met2HG1-HB1 2.588 2.067 2.01e+009 ga Met2HG1-HB2 2.585 2.020 3.07e+008 ga Met2HG2-HA 2.552 4.487 4.76e+008 ga Met2HG2-HB1 2.552 2.067 2.15e+009 ga Met2HG2-HB2 2.555 2.020 8.36e+008 ga Arg3HN-HA 8.826 4.321 8.00e+008 ga Arg3HA-HN 4.322 8.827 3.57e+008 ga Arg3HA-Leu4HG 4.321 1.701 3.38e+008 ga Leu4HN-Arg3HA 8.769 4.321 1.98e+009 ga Arg3HA-Leu4HN 4.322 8.769 1.14e+009 ga Ser5HN-Arg3HA 8.365 4.321 2.82e+008 ga Arg3HA-Ser5HN 4.322 8.365 3.68e+008 ga Lys6HN-Arg3HA 7.639 4.321 1.63e+008 ga Arg3HA-Lys6HN 4.322 7.639 2.69e+008 ga Arg3HA-Phe7HN 4.322 7.860 1.56e+008 ga Arg3HA-Arg9HD2 4.322 3.158 4.80e+008 ga Met2HA-Arg3HB1 4.489 1.847 5.33e+008 ga Arg3HB1-Met2HA 1.846 4.487 3.19e+008 ga Arg3HA-HB1 4.322 1.851 3.37e+009 ga Arg3HB1-HA 1.850 4.320 3.43e+009 ga Arg3HD1-HB1 3.185 1.853 1.01e+009 ga Arg3HB1-HD1 1.848 3.187 4.69e+008 ga Arg3HD2-HB1 3.166 1.854 6.48e+009 ga Arg3HB1-HD2 1.846 3.160 6.95e+009 ga Arg3HN-HB1 8.826 1.852 1.74e+009 ga Arg3HB1-HN 1.843 8.826 6.56e+008 ga Leu4HN-Arg3HB1 8.769 1.851 1.49e+009 ga Arg3HB1-Leu4HN 1.847 8.768 7.32e+008 ga Arg3HA-HB2 4.322 1.663 1.22e+009 ga Arg3HB2-HA 1.664 4.320 1.26e+009 ga Arg3HD1-HB2 3.185 1.663 1.21e+009 ga Arg3HB2-HD1 1.664 3.187 1.41e+009 ga Arg3HD2-HB2 3.165 1.663 2.64e+009 ga Arg3HB2-HD2 1.662 3.161 2.90e+009 ga Arg3HN-HB2 8.826 1.663 6.62e+008 ga Arg3HB2-HN 1.665 8.825 2.30e+008 ga Arg3HA-HD1 4.322 3.188 5.28e+008 ga Arg3HD1-HA 3.184 4.321 4.72e+008 ga Arg3HD2-HA 3.171 4.321 3.90e+008 ga Arg3HD2-HG# 3.163 1.592 2.09e+009 ga Arg3HD2-Lys6HA 3.165 3.945 3.87e+008 ga Arg3HD2-Arg9HA 3.169 3.789 8.41e+008 ga Arg3HG#-Met2HB1 1.595 2.070 4.01e+008 ga Arg3HA-HG# 4.322 1.591 1.73e+009 ga Arg3HG#-HA 1.595 4.321 1.89e+009 ga Arg3HD1-HG# 3.187 1.592 1.35e+009 ga Arg3HG#-HD1 1.596 3.188 3.05e+009 ga Arg3HN-HG# 8.826 1.592 5.68e+008 ga Arg3HG#-HN 1.594 8.825 2.00e+008 ga Arg3HG#-Leu4HD1# 1.591 0.919 2.17e+009 ga Arg3HG#-Leu4HD2# 1.592 0.829 1.96e+009 ga Arg3HN-Met2HB2 8.827 2.020 9.52e+007 ga Arg3HN-Leu4HB1 8.826 1.770 2.40e+008 ga Leu4HN-HA 8.769 4.143 1.27e+009 ga Leu4HA-HN 4.143 8.770 5.78e+008 ga Ser5HN-Leu4HA 8.365 4.142 7.43e+008 ga Leu4HA-Ser5HN 4.143 8.365 7.66e+008 ga Phe7HE#-Leu4HA 7.084 4.143 1.52e+008 ga Leu4HA-Phe7HE# 4.144 7.088 1.16e+008 ga Phe7HN-Leu4HA 7.861 4.143 6.96e+008 ga Leu4HA-Phe7HN 4.143 7.860 8.10e+008 ga Phe8HE#-Leu4HA 7.212 4.144 1.70e+008 ga Leu4HA-Phe8HE# 4.143 7.211 1.58e+008 ga Leu4HA-Phe8HN 4.146 8.092 5.07e+008 ga Arg3HA-Leu4HB1 4.322 1.769 5.59e+008 ga Leu4HB1-Arg3HA 1.769 4.320 4.98e+008 ga Leu4HA-HB1 4.143 1.768 2.10e+009 ga Leu4HB1-HA 1.767 4.142 5.53e+010 ga Leu4HN-HB1 8.769 1.767 1.74e+009 ga Leu4HB1-HN 1.766 8.769 9.50e+008 ga Ser5HN-Leu4HB1 8.366 1.768 1.07e+009 ga Leu4HB1-Ser5HN 1.767 8.365 8.32e+008 ga Phe8HE#-Leu4HB1 7.213 1.766 1.94e+008 ga Leu4HB1-Phe8HE# 1.761 7.210 2.56e+008 ga Leu4HB1-Phe8HZ 1.762 7.178 1.84e+008 ga Leu4HA-HB2 4.143 1.590 2.51e+009 ga Leu4HB2-HA 1.592 4.142 3.38e+009 ga Leu4HN-HB2 8.769 1.588 1.71e+009 ga Leu4HB2-HN 1.591 8.769 8.78e+008 ga Ser5HN-Leu4HB2 8.365 1.588 7.99e+008 ga Leu4HB2-Ser5HN 1.591 8.365 9.69e+008 ga Phe8HE#-Leu4HB2 7.213 1.592 3.34e+008 ga Leu4HB2-Phe8HE# 1.590 7.211 3.59e+008 ga Phe8HZ-Leu4HB2 7.177 1.587 2.42e+008 ga Leu4HB2-Phe8HZ 1.590 7.178 2.16e+008 ga Met2HB1-Leu4HD1# 2.066 0.919 2.26e+008 ga Leu4HD1#-Met2HB1 0.920 2.068 2.86e+008 ga Met2HB2-Leu4HD1# 2.019 0.919 3.46e+008 ga Leu4HD1#-Met2HB2 0.921 2.019 4.71e+008 ga Arg3HA-Leu4HD1# 4.323 0.918 1.72e+008 ga Leu4HD1#-Arg3HA 0.919 4.321 1.40e+008 ga Leu4HA-HD1# 4.143 0.919 1.36e+009 ga Leu4HD1#-HA 0.920 4.142 1.87e+009 ga Leu4HB1-HD1# 1.766 0.919 2.17e+009 ga Leu4HD1#-HB1 0.920 1.767 2.66e+009 ga Leu4HD1#-HB2 0.920 1.588 2.57e+009 ga Leu4HG-HD1# 1.704 0.917 2.79e+009 ga Leu4HD1#-HG 0.920 1.709 3.62e+009 ga Leu4HN-HD1# 8.769 0.919 5.67e+008 ga Leu4HD1#-HN 0.920 8.769 3.73e+008 ga Ser5HA-Leu4HD1# 4.074 0.919 1.41e+008 ga Leu4HD1#-Ser5HA 0.919 4.075 3.78e+008 ga Leu4HD1#-Ser5HB1 0.919 3.945 1.76e+008 ga Ser5HN-Leu4HD1# 8.365 0.920 2.14e+008 ga Leu4HD1#-Ser5HN 0.920 8.365 3.51e+008 ga Phe7HB2-Leu4HD1# 2.975 0.919 2.08e+008 ga Leu4HD1#-Phe7HB2 0.920 2.977 3.58e+008 ga Phe7HN-Leu4HD1# 7.861 0.919 1.05e+008 ga Leu4HD1#-Phe7HN 0.920 7.861 1.55e+008 ga Phe8HB#-Leu4HD1# 3.074 0.920 1.63e+008 ga Leu4HD1#-Phe8HB# 0.920 3.073 3.18e+008 ga Phe8HD#-Leu4HD1# 7.091 0.919 2.45e+008 ga Leu4HD1#-Phe8HD# 0.919 7.092 2.14e+008 ga Phe8HE#-Leu4HD1# 7.212 0.919 2.41e+008 ga Leu4HD1#-Phe8HE# 0.920 7.211 3.33e+008 ga Phe8HN-Leu4HD1# 8.089 0.920 8.67e+007 ga Leu4HD1#-Phe8HN 0.919 8.091 1.47e+008 ga Phe8HZ-Leu4HD1# 7.177 0.919 3.44e+008 ga Leu4HD1#-Phe8HZ 0.920 7.177 4.52e+008 ga Met2HB1-Leu4HD2# 2.069 0.830 2.91e+008 ga Leu4HD2#-Met2HB1 0.830 2.068 3.94e+008 ga Met2HB2-Leu4HD2# 2.019 0.830 2.85e+008 ga Leu4HD2#-Met2HB2 0.830 2.019 4.40e+008 ga Leu4HD2#-Arg3HA 0.831 4.321 1.04e+008 ga Leu4HD2#-Arg3HD1 0.828 3.189 3.12e+009 ga Leu4HA-HD2# 4.143 0.830 2.55e+009 ga Leu4HD2#-HA 0.830 4.143 3.74e+009 ga Leu4HB1-HD2# 1.767 0.829 1.38e+009 ga Leu4HD2#-HB1 0.829 1.767 1.08e+009 ga Leu4HD2#-HB2 0.830 1.590 3.15e+009 ga Leu4HG-HD2# 1.704 0.828 2.78e+009 ga Leu4HD2#-HG 0.830 1.706 3.40e+009 ga Leu4HN-HD2# 8.769 0.830 4.63e+008 ga Leu4HD2#-HN 0.830 8.770 3.65e+008 ga Leu4HD2#-Ser5HB1 0.828 3.947 1.88e+008 ga Leu4HD2#-Ser5HB2 0.828 3.920 9.05e+007 ga Ser5HN-Leu4HD2# 8.365 0.829 1.99e+008 ga Leu4HD2#-Ser5HN 0.830 8.365 3.40e+008 ga Leu4HD2#-Phe7HA 0.830 4.253 7.63e+007 ga Phe7HB2-Leu4HD2# 2.979 0.830 3.37e+008 ga Leu4HD2#-Phe7HB2 0.830 2.975 5.66e+008 ga Phe7HN-Leu4HD2# 7.862 0.830 1.68e+008 ga Leu4HD2#-Phe7HN 0.829 7.860 3.31e+008 ga Phe8HB#-Leu4HD2# 3.074 0.829 1.79e+008 ga Leu4HD2#-Phe8HB# 0.829 3.074 4.21e+008 ga Phe8HD#-Leu4HD2# 7.090 0.828 3.61e+008 ga Leu4HD2#-Phe8HD# 0.829 7.090 3.38e+008 ga Phe8HE#-Leu4HD2# 7.212 0.829 2.60e+008 ga Leu4HD2#-Phe8HE# 0.829 7.211 3.84e+008 ga Phe8HN-Leu4HD2# 8.091 0.828 1.55e+008 ga Leu4HD2#-Phe8HN 0.828 8.092 2.41e+008 ga Phe8HZ-Leu4HD2# 7.177 0.828 4.37e+008 ga Leu4HD2#-Phe8HZ 0.829 7.177 5.45e+008 ga Leu4HG-Met2HB1 1.704 2.067 3.35e+008 ga Leu4HA-HG 4.144 1.707 1.22e+009 ga Leu4HG-HA 1.706 4.142 1.63e+009 ga Leu4HN-HG 8.769 1.705 1.41e+009 ga Leu4HG-HN 1.705 8.769 7.87e+008 ga Ser5HN-Leu4HG 8.366 1.706 3.28e+008 ga Leu4HG-Ser5HN 1.706 8.365 4.18e+008 ga Phe8HE#-Leu4HG 7.212 1.705 4.25e+008 ga Leu4HG-Phe8HE# 1.707 7.210 1.98e+008 ga Phe8HZ-Leu4HG 7.177 1.705 1.97e+008 ga Leu4HG-Phe8HZ 1.706 7.178 1.54e+008 ga Leu4HN-Met2HB2 8.770 2.019 1.77e+008 ga Leu4HN-Arg3HB2 8.769 1.665 3.56e+008 ga Arg3HN-Leu4HN 8.825 8.768 2.70e+008 ga Leu4HN-Arg3HN 8.769 8.826 1.82e+008 ga Leu4HN-Ser5HA 8.769 4.076 1.94e+008 ga Leu4HN-Ser5HB1 8.769 3.944 1.66e+008 ga Leu4HN-Ser5HB2 8.769 3.918 2.05e+008 ga Leu4HN-Lys6HN 8.772 7.638 1.98e+008 ga Ser5HA-Leu4HB2 4.078 1.587 1.28e+008 ga Ser5HN-HA 8.365 4.077 1.46e+009 ga Ser5HA-HN 4.076 8.365 1.34e+009 ga Lys6HN-Ser5HA 7.640 4.076 1.05e+009 ga Ser5HA-Lys6HN 4.076 7.639 6.64e+008 ga Phe7HN-Ser5HA 7.861 4.075 7.96e+008 ga Ser5HA-Phe7HN 4.072 7.860 6.08e+008 ga Ser5HB1-HA 3.943 4.076 2.70e+009 ga Ser5HN-HB1 8.365 3.944 1.16e+009 ga Ser5HB1-HN 3.943 8.365 1.22e+009 ga Ser5HB2-HA 3.923 4.076 3.11e+009 ga Ser5HN-HB2 8.365 3.920 1.22e+009 ga Ser5HB2-HN 3.923 8.365 1.35e+009 ga Leu4HN-Ser5HN 8.770 8.365 9.31e+008 ga Ser5HN-Leu4HN 8.364 8.770 4.09e+008 ga Lys6HA-Met2HB2 3.949 2.023 4.73e+008 ga Lys6HA-Arg3HA 3.946 4.321 2.61e+008 ga Lys6HN-HA 7.640 3.945 2.34e+009 ga Lys6HA-HN 3.945 7.639 2.05e+009 ga Lys6HA-Phe7HA 3.944 4.255 2.78e+008 ga Phe7HN-Lys6HA 7.861 3.945 7.21e+008 ga Lys6HA-Phe7HN 3.945 7.860 7.14e+008 ga Lys6HA-Phe8HB# 3.945 3.072 8.34e+008 ga Lys6HA-Phe8HE# 3.944 7.210 2.82e+008 ga Phe8HN-Lys6HA 8.089 3.945 3.80e+008 ga Lys6HA-Phe8HN 3.945 8.088 3.42e+008 ga Arg9HN-Lys6HA 8.232 3.945 6.85e+008 ga Lys6HA-Arg9HN 3.945 8.232 6.83e+008 ga Asp10HN-Lys6HA 8.441 3.946 4.27e+008 ga Lys6HA-Asp10HN 3.946 8.440 3.62e+008 ga Lys6HB1-Ser5HN 1.822 8.364 1.30e+009 ga Lys6HA-HB1 3.946 1.814 2.17e+009 ga Lys6HB1-HA 1.814 3.945 3.48e+009 ga Lys6HN-HB1 7.640 1.816 2.00e+009 ga Lys6HB1-HN 1.815 7.639 3.22e+009 ga Phe7HN-Lys6HB1 7.861 1.815 1.19e+009 ga Lys6HB1-Phe7HN 1.814 7.861 1.94e+009 ga Lys6HA-HB2 3.945 1.774 2.96e+009 ga Lys6HB2-HA 1.775 3.945 3.37e+009 ga Lys6HN-HB2 7.640 1.775 1.54e+009 ga Lys6HB2-HN 1.775 7.639 1.36e+009 ga Phe7HN-Lys6HB2 7.861 1.775 6.53e+008 ga Lys6HB2-Phe7HN 1.776 7.860 9.38e+008 ga Lys6HA-HD# 3.945 1.644 6.05e+008 ga Lys6HD#-HA 1.640 3.945 1.99e+009 ga Lys6HD#-HN 1.644 7.638 5.20e+009 ga Lys6HD#-Phe7HN 1.646 7.863 5.31e+009 ga Lys6HE2-HA 2.974 3.945 1.50e+008 ga Lys6HE2-HA 2.949 3.946 1.17e+008 ga Lys6HA-HG# 3.945 1.338 2.38e+009 ga Lys6HG#-HA 1.338 3.945 3.26e+009 ga Lys6HG#-HB1 1.336 1.812 3.74e+009 ga Lys6HG#-HB2 1.335 1.772 2.06e+009 ga Lys6HN-HG# 7.639 1.340 8.36e+008 ga Lys6HG#-HN 1.335 7.640 1.05e+009 ga Phe7HA-Lys6HG# 4.250 1.340 3.17e+008 ga Lys6HG#-Phe7HA 1.336 4.253 5.71e+008 ga Phe7HN-Lys6HG# 7.862 1.333 5.12e+008 ga Lys6HG#-Phe7HN 1.334 7.861 7.49e+008 ga Lys6HG#-Arg9HB1 1.338 1.908 4.97e+008 ga Ser5HN-Lys6HN 8.365 7.639 7.86e+008 ga Lys6HN-Ser5HN 7.639 8.365 8.79e+008 ga Phe7HN-Lys6HN 7.861 7.640 7.44e+008 ga Lys6HN-Phe7HN 7.640 7.860 9.04e+008 ga Phe7HA-Lys6HN 4.254 7.640 2.05e+008 ga Phe7HN-HA 7.861 4.254 1.44e+009 ga Phe7HA-HN 4.254 7.860 1.49e+009 ga Arg9HN-Phe7HA 8.234 4.254 1.64e+008 ga Phe7HA-Arg9HN 4.255 8.232 1.53e+008 ga Asp10HN-Phe7HA 8.441 4.254 3.75e+008 ga Phe7HA-Asp10HN 4.254 8.440 2.95e+008 ga Leu4HA-Phe7HB1 4.143 3.136 1.13e+009 ga Phe7HB1-Leu4HA 3.138 4.143 8.19e+008 ga Phe7HB1-Leu4HD1# 3.141 0.919 1.75e+008 ga Phe7HB1-Leu4HD2# 3.143 0.829 5.95e+008 ga Phe7HB1-Lys6HN 3.138 7.639 1.77e+008 ga Phe7HA-HB1 4.254 3.137 2.47e+009 ga Phe7HB1-HA 3.138 4.254 2.23e+009 ga Phe7HB1-HE# 3.137 7.085 1.80e+008 ga Phe7HN-HB1 7.861 3.137 1.52e+009 ga Phe7HB1-HN 3.137 7.860 1.80e+009 ga Phe7HB1-Phe8HA 3.140 4.059 3.40e+008 ga Phe7HB1-Phe8HE# 3.137 7.211 1.88e+008 ga Phe8HN-Phe7HB1 8.090 3.134 1.13e+009 ga Phe7HB1-Phe8HN 3.135 8.089 1.12e+009 ga Leu4HA-Phe7HB2 4.143 2.975 1.09e+009 ga Phe7HB2-Leu4HA 2.977 4.142 1.12e+009 ga Lys6HN-Phe7HB2 7.640 2.973 2.30e+008 ga Phe7HB2-Lys6HN 2.975 7.639 2.72e+008 ga Phe7HA-HB2 4.254 2.975 1.90e+009 ga Phe7HB2-HA 2.977 4.254 2.08e+009 ga Phe7HE#-HB2 7.083 2.975 3.08e+008 ga Phe7HB2-HE# 2.975 7.084 2.29e+008 ga Phe7HN-HB2 7.861 2.975 1.61e+009 ga Phe7HB2-HN 2.976 7.860 1.82e+009 ga Phe8HA-Phe7HB2 4.064 2.977 9.11e+009 ga Phe7HB2-Phe8HA 2.977 4.057 7.74e+008 ga Phe8HE#-Phe7HB2 7.212 2.977 2.14e+008 ga Phe7HB2-Phe8HE# 2.980 7.210 2.18e+008 ga Phe8HN-Phe7HB2 8.089 2.975 9.73e+008 ga Phe7HB2-Phe8HN 2.977 8.089 1.04e+009 ga Phe7HB2-Arg9HN 2.979 8.230 1.83e+008 ga Phe7HD#-Leu4HA 6.909 4.143 5.47e+008 ga Phe7HD#-Leu4HB1 6.908 1.767 9.08e+008 ga Phe7HD#-Leu4HB2 6.909 1.588 1.78e+008 ga Phe7HD#-Leu4HD1# 6.909 0.920 2.66e+008 ga Phe7HD#-Leu4HD2# 6.910 0.830 3.20e+008 ga Phe7HD#-HA 6.910 4.254 1.62e+009 ga Phe7HD#-HB1 6.910 3.137 1.97e+009 ga Phe7HD#-HB2 6.910 2.975 1.72e+009 ga Phe7HD#-HN 6.910 7.861 6.23e+008 ga Phe7HD#-Phe8HA 6.910 4.059 5.52e+008 ga Phe7HD#-Phe8HB# 6.910 3.074 4.88e+008 ga Phe7HD#-Phe8HN 6.910 8.089 4.85e+008 ga Phe7HD#-Ala11HB# 6.910 1.115 2.98e+008 ga Phe7HE#-HA 7.083 4.254 3.21e+008 ga Phe7HE#-HN 7.083 7.862 7.26e+007 ga Phe7HE#-Phe8HN 7.083 8.090 7.22e+008 ga Ser5HN-Phe7HN 8.365 7.860 1.87e+008 ga Phe7HN-Ser5HN 7.860 8.366 1.54e+008 ga Phe8HN-Phe7HN 8.089 7.861 8.44e+008 ga Phe7HN-Phe8HN 7.861 8.087 9.17e+008 ga Arg9HN-Phe7HN 8.232 7.861 1.88e+008 ga Phe7HN-Arg9HN 7.861 8.232 1.80e+008 ga Phe7HE#-Phe8HA 7.084 4.058 2.93e+008 ga Phe8HA-Phe7HE# 4.060 7.087 1.99e+008 ga Phe8HE#-HA 7.212 4.059 2.28e+009 ga Phe8HA-HE# 4.061 7.211 1.78e+009 ga Phe8HN-HA 8.090 4.060 2.08e+009 ga Phe8HA-HN 4.062 8.089 1.90e+009 ga Phe8HZ-HA 7.178 4.060 4.38e+008 ga Phe8HA-HZ 4.061 7.179 4.18e+008 ga Phe8HA-Arg9HB1 4.066 1.909 4.42e+008 ga Arg9HN-Phe8HA 8.232 4.060 9.99e+008 ga Phe8HA-Arg9HN 4.062 8.232 8.62e+008 ga Asp10HN-Phe8HA 8.441 4.060 3.47e+008 ga Phe8HA-Asp10HN 4.060 8.441 2.42e+008 ga Ile12HN-Phe8HA 7.582 4.058 3.60e+008 ga Phe8HA-Ile12HN 4.060 7.583 3.08e+008 ga Leu4HA-Phe8HB# 4.142 3.069 2.54e+008 ga Phe8HB#-Leu4HA 3.074 4.141 1.68e+008 ga Phe8HB#-Ser5HB1 3.073 3.943 2.33e+008 ga Phe8HB#-Ser5HB2 3.074 3.924 8.27e+008 ga Ser5HN-Phe8HB# 8.365 3.073 1.43e+008 ga Phe8HB#-Ser5HN 3.073 8.365 1.41e+008 ga Phe7HA-Phe8HB# 4.254 3.074 5.06e+008 ga Phe8HB#-Phe7HA 3.075 4.251 2.59e+008 ga Phe7HN-Phe8HB# 7.861 3.075 1.30e+009 ga Phe8HB#-Phe7HN 3.073 7.860 4.34e+008 ga Phe8HA-HB# 4.062 3.073 4.77e+009 ga Phe8HB#-HA 3.074 4.060 5.91e+009 ga Phe8HE#-HB# 7.212 3.073 2.30e+009 ga Phe8HB#-HE# 3.073 7.211 1.94e+009 ga Phe8HN-HB# 8.089 3.073 3.17e+009 ga Phe8HB#-HN 3.073 8.089 3.30e+009 ga Phe8HZ-HB# 7.178 3.073 3.25e+008 ga Phe8HB#-HZ 3.073 7.179 4.32e+008 ga Arg9HA-Phe8HB# 3.790 3.074 5.44e+008 ga Phe8HB#-Arg9HA 3.074 3.789 4.71e+008 ga Arg9HN-Phe8HB# 8.232 3.073 1.83e+009 ga Phe8HB#-Arg9HN 3.073 8.232 1.80e+009 ga Asp10HN-Phe8HB# 8.441 3.072 2.86e+008 ga Phe8HB#-Asp10HN 3.073 8.441 2.58e+008 ga Ala11HN-Phe8HB# 7.808 3.073 2.45e+008 ga Phe8HB#-Ala11HN 3.073 7.808 2.49e+008 ga Phe8HE#-Ser5HB1 7.212 3.945 1.73e+008 ga Phe8HE#-Ser5HB2 7.212 3.919 6.34e+007 ga Phe8HE#-Phe7HA 7.212 4.254 1.14e+008 ga Phe7HN-Phe8HE# 7.863 7.211 1.01e+008 ga Phe8HE#-Phe7HN 7.212 7.862 1.07e+008 ga Phe8HN-HE# 8.089 7.211 4.79e+008 ga Phe8HE#-HN 7.212 8.089 5.80e+008 ga Arg9HN-Phe8HE# 8.233 7.212 2.20e+008 ga Phe8HE#-Arg9HN 7.212 8.232 2.45e+008 ga Phe8HN-HZ 8.090 7.178 4.23e+008 ga Arg9HN-Phe8HN 8.232 8.089 9.33e+008 ga Phe8HN-Arg9HN 8.089 8.232 8.86e+008 ga Asp10HN-Phe8HN 8.441 8.089 2.02e+008 ga Phe8HN-Asp10HN 8.089 8.440 1.56e+008 ga Phe8HZ-Leu4HA 7.177 4.145 1.35e+008 ga Phe8HE#-Arg9HA 7.212 3.789 2.11e+008 ga Arg9HA-Phe8HE# 3.789 7.212 1.93e+008 ga Phe8HN-Arg9HA 8.091 3.789 1.93e+008 ga Arg9HA-Phe8HN 3.790 8.089 2.06e+008 ga Arg9HA-HD2 3.790 3.157 5.40e+008 ga Arg9HN-HA 8.232 3.790 1.35e+009 ga Arg9HA-HN 3.790 8.232 1.33e+009 ga Arg9HA-Asp10HA 3.791 4.291 2.92e+008 ga Asp10HN-Arg9HA 8.441 3.789 6.67e+008 ga Arg9HA-Asp10HN 3.789 8.440 6.56e+008 ga Ala11HN-Arg9HA 7.807 3.789 3.83e+008 ga Arg9HA-Ala11HN 3.790 7.806 2.82e+008 ga Arg9HB1-Ser5HA 1.908 4.072 5.34e+008 ga Lys6HA-Arg9HB1 3.946 1.908 1.82e+009 ga Arg9HB1-Lys6HA 1.908 3.945 2.28e+009 ga Phe8HB#-Arg9HB1 3.074 1.909 6.04e+008 ga Arg9HB1-Phe8HB# 1.908 3.073 8.37e+008 ga Phe8HE#-Arg9HB1 7.212 1.910 1.15e+008 ga Arg9HB1-Phe8HE# 1.911 7.211 1.73e+008 ga Phe8HN-Arg9HB1 8.091 1.907 3.65e+008 ga Arg9HB1-Phe8HN 1.908 8.089 4.99e+009 ga Arg9HA-HB1 3.789 1.909 3.45e+009 ga Arg9HB1-HA 1.909 3.789 3.37e+009 ga Arg9HD1-HB1 3.190 1.910 9.41e+008 ga Arg9HB1-HD1 1.908 3.191 1.49e+009 ga Arg9HD2-HB1 3.161 1.910 6.63e+008 ga Arg9HB1-HD2 1.907 3.157 1.35e+009 ga Arg9HE-HB1 7.443 1.912 2.79e+008 ga Arg9HB1-HE 1.907 7.444 3.00e+008 ga Arg9HN-HB1 8.232 1.909 2.76e+009 ga Arg9HB1-HN 1.909 8.232 3.25e+009 ga Asp10HA-Arg9HB1 4.290 1.909 9.51e+008 ga Arg9HB1-Asp10HA 1.908 4.290 4.90e+008 ga Asp10HN-Arg9HB1 8.441 1.908 1.63e+009 ga Arg9HB1-Asp10HN 1.909 8.440 1.59e+009 ga Ala11HN-Arg9HB1 7.808 1.907 2.64e+009 ga Arg9HB1-Ala11HN 1.910 7.806 1.86e+009 ga Arg9HB1-Ile12HN 1.907 7.581 2.03e+008 ga Arg9HB2-Phe8HB# 1.745 3.076 7.64e+008 ga Arg9HA-HB2 3.790 1.739 1.71e+009 ga Arg9HB2-HA 1.740 3.789 1.36e+009 ga Arg9HB2-HB1 1.740 1.911 2.74e+009 ga Arg9HD1-HB2 3.190 1.740 1.43e+009 ga Arg9HB2-HD1 1.740 3.191 1.58e+009 ga Arg9HD2-HB2 3.160 1.741 1.72e+009 ga Arg9HB2-HD2 1.740 3.159 2.66e+009 ga Arg9HE-HB2 7.444 1.738 2.62e+008 ga Arg9HB2-HE 1.739 7.443 2.65e+008 ga Arg9HN-HB2 8.233 1.738 7.75e+008 ga Arg9HB2-HN 1.741 8.232 9.35e+008 ga Asp10HN-Arg9HB2 8.440 1.738 4.21e+008 ga Arg9HB2-Asp10HN 1.740 8.440 4.03e+008 ga Lys6HA-Arg9HD1 3.945 3.193 4.40e+008 ga Arg9HD1-Lys6HA 3.190 3.945 2.88e+008 ga Arg9HA-HD1 3.790 3.193 4.49e+008 ga Arg9HD1-HA 3.189 3.789 1.85e+008 ga Arg9HE-HD1 7.445 3.191 4.53e+008 ga Arg9HD1-HE 3.190 7.443 6.06e+008 ga Arg9HN-HD1 8.232 3.192 2.04e+008 ga Arg9HD1-HN 3.191 8.232 1.49e+008 ga Lys6HA-Arg9HD2 3.943 3.149 6.66e+008 ga Arg9HD2-Lys6HA 3.151 3.946 2.46e+008 ga Arg9HE-HD2 7.442 3.158 4.75e+008 ga Arg9HD2-HE 3.160 7.443 6.28e+008 ga Arg9HN-HD2 8.232 3.157 3.85e+008 ga Arg9HD2-HN 3.155 8.232 4.22e+008 ga Asp10HN-Arg9HD2 8.443 3.150 1.84e+008 ga Arg9HD2-Asp10HN 3.157 8.441 6.11e+008 ga Arg9HG#-Lys6HA 1.560 3.945 1.12e+009 ga Arg9HG#-Phe8HB# 1.547 3.074 2.62e+009 ga Arg9HA-HG# 3.790 1.545 1.68e+009 ga Arg9HG#-HA 1.548 3.789 1.40e+009 ga Arg9HG#-HB1 1.550 1.910 2.57e+009 ga Arg9HD1-HG# 3.191 1.549 1.28e+009 ga Arg9HG#-HD1 1.551 3.191 1.71e+009 ga Arg9HD2-HG# 3.161 1.550 2.88e+009 ga Arg9HG#-HD2 1.554 3.156 3.30e+009 ga Arg9HE-HG# 7.445 1.552 2.09e+008 ga Arg9HG#-HE 1.551 7.443 3.02e+008 ga Arg9HN-HG# 8.232 1.547 6.10e+008 ga Arg9HG#-HN 1.550 8.232 6.39e+008 ga Asp10HN-Arg9HG# 8.441 1.549 3.25e+008 ga Arg9HG#-Asp10HN 1.551 8.440 3.84e+008 ga Asp10HN-Arg9HN 8.441 8.233 1.02e+009 ga Arg9HN-Asp10HN 8.233 8.440 1.03e+009 ga Arg9HN-Asp10HA 8.233 4.291 1.70e+008 ga Asp10HA-Arg9HN 4.290 8.233 1.80e+008 ga Asp10HN-HA 8.441 4.290 1.44e+009 ga Asp10HA-HN 4.290 8.441 1.62e+009 ga Ala11HN-Asp10HA 7.807 4.290 1.10e+009 ga Asp10HA-Ala11HN 4.290 7.806 1.11e+009 ga Ile12HN-Asp10HA 7.583 4.289 2.29e+008 ga Asp10HA-Ile12HN 4.289 7.582 2.30e+008 ga Leu13HN-Asp10HA 7.902 4.289 4.17e+008 ga Asp10HA-Leu13HN 4.290 7.901 4.37e+008 ga Asp10HB1-Phe7HA 2.645 4.254 9.40e+008 ga Asp10HB1-Arg9HB1 2.647 1.911 5.07e+008 ga Asp10HB1-Arg9HN 2.646 8.233 2.16e+008 ga Asp10HB1-HA 2.645 4.290 2.14e+009 ga Asp10HB1-HN 2.645 8.441 1.94e+009 ga Asp10HB1-Ala11HA 2.643 3.992 3.02e+008 ga Asp10HB1-Ala11HB# 2.644 1.114 5.57e+008 ga Asp10HB1-Ala11HN 2.645 7.808 1.18e+009 ga Asp10HB2-Phe7HA 2.457 4.254 7.11e+008 ga Asp10HB2-Arg9HN 2.458 8.232 1.34e+008 ga Asp10HB2-HA 2.456 4.290 2.63e+009 ga Asp10HB2-HN 2.456 8.441 1.66e+009 ga Asp10HB2-Ala11HA 2.456 3.991 2.99e+008 ga Asp10HB2-Ala11HB# 2.456 1.115 4.88e+008 ga Asp10HB2-Ala11HN 2.457 7.808 1.10e+009 ga Asp10HN-Phe7HN 8.441 7.863 1.89e+008 ga Asp10HN-Arg9HD1 8.441 3.193 1.81e+008 ga Ala11HA-Asp10HA 3.992 4.289 4.22e+008 ga Asp10HN-Ala11HA 8.441 3.991 1.96e+008 ga Ala11HA-Asp10HN 3.992 8.440 2.12e+008 ga Ala11HN-HA 7.808 3.991 2.16e+009 ga Ala11HA-HN 3.992 7.807 2.21e+009 ga Ile12HN-Ala11HA 7.583 3.991 7.51e+008 ga Ala11HA-Ile12HN 3.992 7.582 7.50e+008 ga Leu13HN-Ala11HA 7.902 3.990 2.29e+008 ga Ala11HA-Leu13HN 3.992 7.901 1.93e+008 ga Ala11HA-Arg15HN 3.991 7.667 2.35e+008 ga Phe7HA-Ala11HB# 4.256 1.113 1.83e+008 ga Ala11HB#-Phe7HA 1.115 4.254 3.43e+008 ga Phe7HE#-Ala11HB# 7.084 1.115 4.72e+008 ga Ala11HB#-Phe7HE# 1.115 7.086 4.64e+008 ga Phe8HA-Ala11HB# 4.059 1.114 1.26e+009 ga Ala11HB#-Phe8HA 1.115 4.059 2.63e+009 ga Ala11HB#-Phe8HB# 1.115 3.074 6.59e+008 ga Phe8HE#-Ala11HB# 7.213 1.116 3.15e+008 ga Ala11HB#-Phe8HE# 1.114 7.211 4.43e+008 ga Phe8HN-Ala11HB# 8.088 1.114 2.17e+008 ga Ala11HB#-Phe8HN 1.115 8.090 2.46e+008 ga Phe8HZ-Ala11HB# 7.179 1.116 1.37e+008 ga Ala11HB#-Phe8HZ 1.115 7.178 1.34e+008 ga Ala11HB#-Arg9HA 1.115 3.790 3.12e+008 ga Arg9HN-Ala11HB# 8.232 1.114 1.45e+008 ga Ala11HB#-Arg9HN 1.115 8.232 1.99e+008 ga Asp10HA-Ala11HB# 4.289 1.115 2.83e+008 ga Ala11HB#-Asp10HA 1.115 4.290 3.99e+008 ga Asp10HN-Ala11HB# 8.441 1.115 1.11e+009 ga Ala11HB#-Asp10HN 1.115 8.441 5.72e+008 ga Ala11HA-HB# 3.992 1.115 6.19e+009 ga Ala11HB#-HA 1.115 3.991 8.45e+009 ga Ala11HN-HB# 7.808 1.115 3.30e+009 ga Ala11HB#-HN 1.115 7.808 4.69e+009 ga Ile12HA-Ala11HB# 3.818 1.114 7.83e+009 ga Ala11HB#-Ile12HA 1.115 3.819 7.73e+008 ga Ala11HB#-Ile12HB 1.113 1.849 5.67e+008 ga Ile12HN-Ala11HB# 7.583 1.114 1.55e+009 ga Ala11HB#-Ile12HN 1.115 7.582 1.97e+009 ga Leu13HN-Ala11HB# 7.902 1.114 5.38e+008 ga Ala11HB#-Leu13HN 1.114 7.901 3.76e+008 ga Arg15HD#-Ala11HB# 3.119 1.116 3.18e+008 ga Ala11HB#-Arg15HD# 1.117 3.120 3.19e+008 ga Ala11HN-Phe8HE# 7.809 7.212 1.32e+008 ga Arg9HN-Ala11HN 8.233 7.806 2.45e+008 ga Ala11HN-Arg9HN 7.808 8.233 1.88e+008 ga Asp10HN-Ala11HN 8.441 7.808 1.20e+009 ga Ala11HN-Asp10HN 7.808 8.441 1.28e+009 ga Ala11HN-Ile12HG12 7.809 1.055 1.09e+010 ga Ala11HN-Leu13HD1# 7.806 0.877 2.91e+008 ga Ala11HN-Leu13HN 7.805 7.901 1.27e+009 ga Ala11HN-Ile12HA 7.806 3.819 4.92e+008 ga Ile12HA-Ala11HN 3.818 7.805 4.92e+008 ga Ile12HN-HA 7.583 3.819 1.59e+009 ga Ile12HA-HN 3.819 7.582 1.63e+009 ga Leu13HN-Ile12HA 7.902 3.818 8.10e+008 ga Ile12HA-Leu13HN 3.819 7.902 1.32e+009 ga Arg15HN-Ile12HA 7.667 3.817 3.13e+008 ga Ile12HA-Arg15HN 3.819 7.667 2.81e+008 ga Ile12HB-Phe8HA 1.848 4.060 4.81e+010 ga Ile12HB-Phe8HB# 1.847 3.072 2.83e+008 ga Phe8HE#-Ile12HB 7.212 1.848 1.43e+008 ga Ile12HB-Phe8HE# 1.848 7.210 2.38e+008 ga Ile12HB-Arg9HA 1.850 3.789 3.19e+009 ga Ala11HA-Ile12HB 3.991 1.847 1.88e+008 ga Ile12HB-Ala11HA 1.848 3.989 4.23e+008 ga Ile12HA-HB 3.819 1.849 3.75e+009 ga Ile12HB-HA 1.849 3.819 2.35e+009 ga Ile12HN-HB 7.583 1.849 2.40e+009 ga Ile12HB-HN 1.849 7.582 2.47e+009 ga Leu13HN-Ile12HB 7.902 1.848 1.64e+009 ga Ile12HB-Leu13HN 1.849 7.901 1.67e+009 ga Phe8HA-Ile12HD1# 4.060 0.706 5.75e+008 ga Ile12HD1#-Phe8HA 0.708 4.059 7.84e+008 ga Phe8HB#-Ile12HD1# 3.074 0.707 3.70e+008 ga Ile12HD1#-Phe8HB# 0.708 3.073 6.40e+008 ga Phe8HD#-Ile12HD1# 7.091 0.708 1.76e+008 ga Ile12HD1#-Phe8HD# 0.708 7.089 2.04e+008 ga Phe8HE#-Ile12HD1# 7.212 0.708 2.57e+008 ga Ile12HD1#-Phe8HE# 0.708 7.211 4.24e+008 ga Ile12HD1#-Phe8HN 0.707 8.090 9.96e+007 ga Phe8HZ-Ile12HD1# 7.177 0.709 1.66e+008 ga Ile12HD1#-Phe8HZ 0.708 7.177 2.43e+008 ga Ile12HD1#-Arg9HA 0.708 3.790 8.67e+008 ga Ile12HD1#-Arg9HB1 0.709 1.910 2.23e+008 ga Ile12HD1#-Arg9HN 0.708 8.233 1.39e+008 ga Ile12HD1#-Ala11HA 0.708 3.992 1.49e+008 ga Ala11HN-Ile12HD1# 7.808 0.708 1.14e+008 ga Ile12HD1#-Ala11HN 0.708 7.807 2.50e+008 ga Ile12HA-HD1# 3.819 0.707 1.96e+009 ga Ile12HD1#-HA 0.708 3.818 1.85e+009 ga Ile12HB-HD1# 1.850 0.707 1.69e+009 ga Ile12HD1#-HB 0.708 1.849 2.35e+009 ga Ile12HG11-HD1# 1.476 0.705 2.66e+009 ga Ile12HD1#-HG11 0.708 1.478 3.48e+009 ga Ile12HD1#-HG12 0.709 1.053 2.92e+009 ga Ile12HN-HD1# 7.583 0.706 5.48e+008 ga Ile12HD1#-HN 0.708 7.582 8.42e+008 ga Leu13HN-Ile12HD1# 7.903 0.706 2.24e+008 ga Ile12HD1#-Leu13HN 0.708 7.901 3.80e+008 ga Ile12HD1#-Arg15HD# 0.710 3.118 2.17e+008 ga Ile12HG11-Phe8HA 1.477 4.060 3.78e+008 ga Ile12HG11-Phe8HE# 1.475 7.211 1.62e+008 ga Ile12HG11-Arg9HA 1.478 3.790 4.24e+009 ga Ile12HG11-Ala11HA 1.476 3.989 2.02e+008 ga Ala11HN-Ile12HG11 7.808 1.474 2.54e+008 ga Ile12HG11-Ala11HN 1.477 7.805 3.09e+008 ga Ile12HA-HG11 3.819 1.475 1.68e+009 ga Ile12HG11-HA 1.476 3.819 1.42e+009 ga Ile12HG11-HB 1.474 1.849 1.61e+009 ga Ile12HG11-HG12 1.476 1.053 6.64e+009 ga Ile12HN-HG11 7.583 1.474 1.45e+009 ga Ile12HG11-HN 1.476 7.582 1.43e+009 ga Leu13HN-Ile12HG11 7.901 1.475 3.91e+008 ga Ile12HG11-Leu13HN 1.477 7.900 4.63e+008 ga Phe8HA-Ile12HG12 4.059 1.057 1.95e+008 ga Ile12HG12-Phe8HA 1.054 4.058 4.58e+008 ga Ile12HG12-Phe8HE# 1.052 7.210 1.02e+008 ga Ile12HG12-Arg9HA 1.052 3.789 5.24e+008 ga Ile12HG12-Ala11HA 1.053 3.987 4.28e+008 ga Ile12HA-HG12 3.819 1.052 1.20e+009 ga Ile12HG12-HA 1.052 3.819 2.10e+009 ga Ile12HB-HG12 1.849 1.051 1.52e+009 ga Ile12HG12-HB 1.052 1.850 1.57e+009 ga Ile12HN-HG12 7.583 1.053 1.26e+009 ga Ile12HG12-HN 1.053 7.582 1.30e+009 ga Leu13HN-Ile12HG12 7.902 1.051 2.94e+008 ga Ile12HG12-Leu13HN 1.051 7.901 3.40e+008 ga Ile12HG12-Gln14HN 1.053 7.805 5.46e+008 ga Phe8HA-Ile12HG2# 4.060 0.778 1.36e+008 ga Ile12HG2#-Phe8HA 0.778 4.060 3.24e+008 ga Phe8HB#-Ile12HG2# 3.075 0.778 1.01e+008 ga Ile12HG2#-Phe8HB# 0.778 3.073 1.95e+008 ga Phe8HD#-Ile12HG2# 7.092 0.777 1.25e+008 ga Ile12HG2#-Phe8HD# 0.778 7.091 1.63e+008 ga Phe8HE#-Ile12HG2# 7.212 0.778 1.64e+008 ga Ile12HG2#-Phe8HE# 0.778 7.211 2.51e+008 ga Phe8HZ-Ile12HG2# 7.177 0.778 1.66e+008 ga Ile12HG2#-Phe8HZ 0.778 7.178 2.40e+008 ga Ile12HG2#-Arg9HA 0.778 3.790 7.39e+008 ga Ala11HA-Ile12HG2# 3.991 0.777 1.25e+008 ga Ile12HG2#-Ala11HA 0.779 3.989 1.64e+008 ga Ala11HN-Ile12HG2# 7.807 0.778 3.12e+008 ga Ile12HG2#-Ala11HN 0.779 7.806 4.85e+008 ga Ile12HA-HG2# 3.819 0.778 2.32e+009 ga Ile12HG2#-HA 0.778 3.819 3.71e+009 ga Ile12HB-HG2# 1.849 0.778 3.61e+009 ga Ile12HG2#-HB 0.778 1.849 5.12e+009 ga Ile12HG11-HG2# 1.477 0.778 1.75e+009 ga Ile12HG2#-HG11 0.778 1.475 2.35e+009 ga Ile12HG2#-HG12 0.778 1.051 2.45e+009 ga Ile12HN-HG2# 7.582 0.778 9.05e+008 ga Ile12HG2#-HN 0.778 7.582 1.29e+009 ga Leu13HA-Ile12HG2# 4.093 0.778 8.40e+008 ga Ile12HG2#-Leu13HA 0.779 4.091 1.11e+009 ga Leu13HG-Ile12HG2# 1.657 0.778 7.77e+008 ga Ile12HG2#-Leu13HG 0.778 1.657 9.53e+008 ga Leu13HN-Ile12HG2# 7.902 0.778 8.03e+008 ga Ile12HG2#-Leu13HN 0.778 7.901 1.14e+009 ga Ile12HG2#-Arg15HB2 0.779 1.728 5.58e+008 ga Arg15HD#-Ile12HG2# 3.118 0.778 1.88e+008 ga Ile12HG2#-Arg15HD# 0.778 3.118 2.56e+008 ga Ile12HG2#-Arg15HG# 0.778 1.610 3.97e+008 ga Ile12HG2#-Arg15HN 0.779 7.667 1.62e+008 ga Ile12HG2#-Lys16HN 0.778 8.100 1.34e+008 ga Ile12HN-Phe8HB# 7.582 3.073 2.42e+008 ga Ile12HN-Arg9HA 7.582 3.790 4.05e+008 ga Asp10HN-Ile12HN 8.442 7.583 1.94e+008 ga Ile12HN-Asp10HN 7.583 8.441 2.12e+008 ga Ala11HN-Ile12HN 7.808 7.582 1.49e+009 ga Ile12HN-Ala11HN 7.583 7.806 1.47e+009 ga Leu13HN-Ile12HN 7.902 7.582 1.41e+009 ga Ile12HN-Leu13HN 7.583 7.901 1.42e+009 ga Ile12HN-Leu13HA 7.583 4.088 2.69e+008 ga Leu13HA-Ile12HN 4.091 7.582 2.25e+008 ga Leu13HN-HA 7.902 4.092 1.55e+009 ga Leu13HA-HN 4.093 7.901 1.58e+009 ga Gln14HN-Leu13HA 7.805 4.092 1.31e+009 ga Leu13HA-Gln14HN 4.092 7.804 1.30e+009 ga Leu13HA-Arg15HG# 4.090 1.609 1.99e+009 ga Leu13HA-Arg15HN 4.089 7.664 3.06e+008 ga Asp10HA-Leu13HB1 4.290 1.811 2.97e+009 ga Leu13HB1-Asp10HA 1.811 4.290 2.68e+009 ga Leu13HB1-Asp10HN 1.813 8.438 8.66e+009 ga Leu13HB1-Ala11HN 1.815 7.808 2.07e+009 ga Leu13HA-HB1 4.092 1.811 2.76e+009 ga Leu13HB1-HA 1.811 4.091 4.79e+010 ga Leu13HN-HB1 7.902 1.811 1.65e+009 ga Leu13HB1-HN 1.810 7.901 1.96e+009 ga Asp10HA-Leu13HB2 4.291 1.531 6.91e+008 ga Leu13HB2-Asp10HA 1.530 4.289 8.49e+008 ga Leu13HB2-Ile12HG2# 1.529 0.776 4.48e+008 ga Leu13HB2-Ile12HN 1.528 7.582 2.60e+008 ga Leu13HA-HB2 4.092 1.526 2.25e+009 ga Leu13HB2-HA 1.527 4.091 3.23e+009 ga Leu13HB2-HB1 1.528 1.810 7.00e+009 ga Leu13HN-HB2 7.902 1.526 1.51e+009 ga Leu13HB2-HN 1.528 7.901 1.57e+009 ga Gln14HA-Leu13HB2 4.148 1.526 2.11e+008 ga Leu13HB2-Gln14HA 1.529 4.150 3.46e+008 ga Gln14HN-Leu13HB2 7.805 1.526 8.53e+008 ga Leu13HB2-Gln14HN 1.528 7.804 9.79e+008 ga Leu13HD1#-Phe8HA 0.878 4.057 1.15e+008 ga Leu13HD1#-Phe8HB# 0.877 3.074 1.96e+008 ga Phe8HE#-Leu13HD1# 7.212 0.877 1.41e+008 ga Leu13HD1#-Phe8HE# 0.878 7.210 2.08e+008 ga Phe8HZ-Leu13HD1# 7.177 0.877 1.78e+008 ga Leu13HD1#-Phe8HZ 0.879 7.177 2.15e+008 ga Arg9HA-Leu13HD1# 3.790 0.877 5.23e+008 ga Leu13HD1#-Arg9HA 0.877 3.789 8.86e+008 ga Arg9HB1-Leu13HD1# 1.907 0.877 3.34e+008 ga Leu13HD1#-Arg9HB1 0.878 1.909 6.10e+008 ga Arg9HB2-Leu13HD1# 1.740 0.874 7.77e+008 ga Leu13HD1#-Arg9HB2 0.877 1.741 1.05e+009 ga Arg9HD1-Leu13HD1# 3.194 0.877 1.72e+008 ga Leu13HD1#-Arg9HD1 0.877 3.191 3.72e+008 ga Arg9HD2-Leu13HD1# 3.163 0.877 2.56e+008 ga Leu13HD1#-Arg9HD2 0.879 3.160 2.73e+008 ga Arg9HN-Leu13HD1# 8.233 0.877 4.41e+007 ga Leu13HD1#-Arg9HN 0.879 8.231 1.51e+008 ga Asp10HA-Leu13HD1# 4.290 0.877 5.27e+008 ga Leu13HD1#-Asp10HA 0.877 4.290 6.99e+008 ga Asp10HN-Leu13HD1# 8.440 0.876 1.00e+008 ga Leu13HD1#-Asp10HN 0.877 8.440 1.43e+008 ga Ile12HN-Leu13HD1# 7.583 0.875 9.84e+007 ga Leu13HD1#-Ile12HN 0.878 7.581 1.77e+008 ga Leu13HA-HD1# 4.092 0.877 1.04e+009 ga Leu13HD1#-HA 0.878 4.091 1.46e+009 ga Leu13HB1-HD1# 1.810 0.877 2.44e+009 ga Leu13HD1#-HB1 0.877 1.810 3.09e+009 ga Leu13HB2-HD1# 1.530 0.876 3.13e+009 ga Leu13HD1#-HB2 0.877 1.527 4.06e+009 ga Leu13HG-HD1# 1.657 0.875 3.43e+009 ga Leu13HD1#-HG 0.878 1.661 4.43e+009 ga Leu13HN-HD1# 7.902 0.876 6.45e+008 ga Leu13HD1#-HN 0.878 7.901 8.89e+008 ga Leu13HD1#-Gln14HN 0.878 7.804 4.37e+008 ga Arg15HD#-Leu13HD1# 3.120 0.876 9.44e+007 ga Leu13HD1#-Arg15HD# 0.878 3.122 3.06e+008 ga Arg9HA-Leu13HD2# 3.794 0.824 4.62e+009 ga Leu13HD2#-Arg9HA 0.825 3.790 1.30e+009 ga Leu13HD2#-Arg9HB1 0.825 1.909 2.24e+008 ga Leu13HD2#-Arg9HN 0.827 8.233 9.22e+007 ga Leu13HD2#-Asp10HA 0.824 4.290 2.02e+008 ga Ile12HN-Leu13HD2# 7.584 0.824 1.58e+008 ga Leu13HD2#-Ile12HN 0.825 7.580 2.20e+008 ga Leu13HA-HD2# 4.092 0.825 3.81e+009 ga Leu13HD2#-HA 0.825 4.092 5.34e+009 ga Leu13HB1-HD2# 1.811 0.824 2.03e+009 ga Leu13HD2#-HB1 0.825 1.812 3.61e+009 ga Leu13HB2-HD2# 1.528 0.824 2.28e+009 ga Leu13HD2#-HB2 0.825 1.526 2.88e+009 ga Leu13HG-HD2# 1.657 0.823 3.46e+009 ga Leu13HD2#-HG 0.825 1.661 4.33e+009 ga Leu13HN-HD2# 7.902 0.824 6.35e+008 ga Leu13HD2#-HN 0.825 7.901 9.60e+008 ga Gln14HN-Leu13HD2# 7.806 0.824 3.16e+008 ga Leu13HD2#-Gln14HN 0.825 7.805 5.31e+008 ga Leu13HD2#-Arg15HN 0.826 7.667 2.29e+008 ga Leu13HG-Phe8HE# 1.654 7.210 1.22e+008 ga Arg9HA-Leu13HG 3.791 1.660 7.11e+008 ga Leu13HG-Arg9HA 1.657 3.788 9.61e+008 ga Leu13HG-Asp10HA 1.656 4.290 5.23e+008 ga Ile12HN-Leu13HG 7.582 1.659 2.87e+008 ga Leu13HG-Ile12HN 1.657 7.582 3.24e+008 ga Leu13HA-HG 4.093 1.659 1.02e+009 ga Leu13HG-HA 1.658 4.091 1.65e+009 ga Leu13HN-HG 7.902 1.658 1.70e+009 ga Leu13HG-HN 1.658 7.901 1.41e+009 ga Leu13HN-Phe8HA 7.900 4.059 1.59e+008 ga Leu13HN-Arg9HA 7.902 3.790 3.86e+008 ga Leu13HN-Gln14HN 7.902 7.803 1.72e+009 ga Leu13HN-Arg15HN 7.902 7.662 2.31e+008 ga Leu13HN-Gln14HA 7.901 4.149 2.16e+008 ga Gln14HA-Leu13HN 4.152 7.901 2.63e+008 ga Gln14HN-HA 7.805 4.151 2.64e+009 ga Gln14HA-HN 4.151 7.804 2.52e+009 ga Arg15HN-Gln14HA 7.667 4.150 1.76e+009 ga Gln14HA-Arg15HN 4.150 7.667 1.68e+009 ga Gln14HB1-Asp10HA 2.077 4.288 2.13e+008 ga Ala11HA-Gln14HB1 3.992 2.079 3.02e+008 ga Gln14HB1-Ala11HA 2.079 3.991 4.55e+008 ga Gln14HA-HB1 4.151 2.080 2.10e+009 ga Gln14HB1-HA 2.080 4.151 3.06e+009 ga Gln14HG#-HB1 2.305 2.078 2.22e+009 ga Gln14HB1-HG# 2.080 2.315 3.90e+010 ga Gln14HN-HB1 7.805 2.081 1.13e+009 ga Gln14HB1-HN 2.079 7.804 1.50e+009 ga Gln14HB1-Arg15HA 2.079 4.207 2.05e+008 ga Arg15HN-Gln14HB1 7.667 2.080 3.88e+008 ga Gln14HB1-Arg15HN 2.080 7.667 5.34e+008 ga Gln14HB2-Asp10HA 1.989 4.290 1.03e+010 ga Ala11HA-Gln14HB2 3.992 1.989 3.76e+008 ga Gln14HB2-Ala11HA 1.990 3.991 5.58e+008 ga Gln14HB2-Leu13HA 1.990 4.093 2.39e+008 ga Gln14HA-HB2 4.151 1.987 1.80e+009 ga Gln14HB2-HA 1.990 4.152 2.55e+009 ga Gln14HB2-HB1 1.991 2.082 7.68e+009 ga Gln14HB2-HE2# 1.989 7.469 1.13e+008 ga Gln14HB2-HG# 1.991 2.316 9.05e+008 ga Gln14HN-HB2 7.805 1.988 1.58e+009 ga Gln14HB2-HN 1.990 7.804 2.01e+009 ga Gln14HB2-Arg15HA 1.989 4.205 1.56e+008 ga Arg15HN-Gln14HB2 7.667 1.988 3.75e+008 ga Gln14HB2-Arg15HN 1.991 7.667 4.94e+008 ga Gln14HG#-Asp10HA 2.306 4.289 2.42e+008 ga Ala11HA-Gln14HG# 3.992 2.309 1.46e+008 ga Gln14HG#-Ala11HA 2.306 3.991 5.28e+008 ga Gln14HG#-Ala11HB# 2.305 1.115 2.77e+008 ga Gln14HG#-Leu13HA 2.307 4.091 2.95e+008 ga Gln14HG#-Leu13HG 2.257 1.661 4.45e+008 ga Gln14HG#-Leu13HN 2.307 7.901 1.89e+008 ga Gln14HA-HG# 4.151 2.311 7.41e+008 ga Gln14HG#-HA 2.305 4.151 2.58e+009 ga Gln14HE2#-HG# 7.469 2.306 3.27e+008 ga Gln14HG#-HE2# 2.306 7.469 6.80e+008 ga Gln14HN-HG# 7.806 2.310 5.34e+008 ga Gln14HG#-HN 2.306 7.805 1.69e+009 ga Gln14HG#-Arg15HA 2.306 4.208 1.93e+008 ga Gln14HG#-Arg15HN 2.306 7.667 3.57e+008 ga Gln14HN-Leu13HB1 7.810 1.815 1.67e+009 ga Gln14HN-Arg15HD# 7.805 3.117 4.08e+009 ga Arg15HA-HG# 4.209 1.604 2.97e+009 ga Arg15HN-HA 7.667 4.208 1.42e+009 ga Arg15HA-HN 4.209 7.667 1.43e+009 ga Lys16HN-Arg15HA 8.099 4.208 1.89e+009 ga Arg15HA-Lys16HN 4.209 8.099 2.03e+009 ga Arg15HB1-Ala11HB# 1.848 1.114 7.00e+008 ga Arg15HA-HB1 4.209 1.849 2.13e+009 ga Arg15HB1-HA 1.846 4.208 2.82e+009 ga Arg15HD#-HB1 3.119 1.849 1.29e+009 ga Arg15HB1-HD# 1.846 3.119 9.53e+008 ga Arg15HB1-HE 1.847 7.523 2.77e+008 ga Arg15HB1-HN 1.846 7.667 1.54e+009 ga Arg15HB2-Ile12HA 1.723 3.816 4.40e+008 ga Arg15HA-HB2 4.209 1.720 2.09e+009 ga Arg15HB2-HA 1.720 4.208 6.09e+010 ga Arg15HD#-HB2 3.119 1.721 1.96e+009 ga Arg15HB2-HD# 1.721 3.118 1.95e+009 ga Arg15HN-HB2 7.667 1.720 1.75e+009 ga Arg15HB2-HN 1.721 7.667 1.95e+009 ga Ile12HA-Arg15HD# 3.819 3.116 5.83e+008 ga Arg15HD#-Ile12HA 3.115 3.819 3.74e+008 ga Arg15HA-HD# 4.209 3.119 1.15e+009 ga Arg15HD#-HA 3.118 4.208 1.06e+009 ga Arg15HE-HD# 7.522 3.118 5.00e+008 ga Arg15HD#-HE 3.119 7.522 7.83e+008 ga Arg15HN-HD# 7.668 3.120 6.30e+008 ga Arg15HD#-HN 3.119 7.667 4.19e+008 ga Arg15HG#-Ala11HA 1.607 3.990 3.58e+008 ga Ile12HA-Arg15HG# 3.818 1.605 4.72e+008 ga Arg15HG#-Ile12HA 1.606 3.817 5.05e+008 ga Arg15HG#-Gln14HE2# 1.602 7.469 1.19e+008 ga Arg15HD#-HG# 3.119 1.604 5.02e+009 ga Arg15HG#-HD# 1.605 3.119 5.64e+009 ga Arg15HE-HG# 7.523 1.602 3.00e+008 ga Arg15HG#-HE 1.606 7.522 4.23e+008 ga Arg15HN-HG# 7.667 1.604 1.66e+009 ga Arg15HG#-HN 1.606 7.667 1.37e+009 ga Arg15HN-Ile12HB 7.667 1.848 1.44e+009 ga Arg15HN-Leu13HB2 7.668 1.526 6.62e+008 ga Gln14HN-Arg15HN 7.806 7.666 1.51e+009 ga Arg15HN-Gln14HN 7.667 7.803 1.30e+009 ga Lys16HN-Arg15HN 8.099 7.667 8.90e+008 ga Arg15HN-Lys16HN 7.667 8.098 8.76e+008 ga Lys16HN-HA 8.098 4.238 1.79e+009 ga Lys16HA-HN 4.239 8.098 1.84e+009 ga Lys17HN-Lys16HA 7.815 4.237 3.58e+009 ga Lys16HA-Lys17HN 4.238 7.815 3.68e+009 ga Lys16HA-HB1 4.238 1.822 1.49e+009 ga Lys16HB1-HA 1.819 4.235 4.18e+010 ga Lys16HN-HB1 8.099 1.824 1.59e+009 ga Lys16HB1-HN 1.822 8.098 1.36e+009 ga Lys16HA-HB2 4.237 1.691 1.77e+009 ga Lys16HB2-HA 1.693 4.237 5.74e+010 ga Lys16HN-HB2 8.099 1.694 1.86e+009 ga Lys16HB2-HN 1.695 8.098 2.18e+009 ga Lys16HD#-Ile12HG2# 1.609 0.776 4.38e+008 ga Lys16HD#-Arg15HA 1.606 4.208 3.56e+009 ga Lys16HD#-HA 1.610 4.235 5.39e+010 ga Lys16HN-HD# 8.099 1.606 7.03e+008 ga Lys16HD#-HN 1.607 8.098 8.71e+008 ga Lys16HG#-Leu13HA 1.408 4.091 4.11e+008 ga Lys16HA-HG# 4.237 1.399 1.21e+009 ga Lys16HG#-HA 1.399 4.237 1.66e+009 ga Lys16HN-HG# 8.099 1.414 8.07e+008 ga Lys16HG#-HN 1.408 8.098 9.17e+008 ga Lys17HN-Lys16HG# 7.814 1.401 3.95e+008 ga Lys16HG#-Lys17HN 1.409 7.815 5.07e+008 ga Lys17HN-HA 7.813 4.056 2.03e+009 ga Lys17HA-HN 4.056 7.812 1.69e+009 ga Lys17HA-HB1 4.055 1.739 1.63e+009 ga Lys17HB1-HA 1.739 4.052 5.56e+010 ga Lys17HN-HB1 7.814 1.744 7.06e+008 ga Lys17HB1-HN 1.741 7.814 1.12e+009 ga Lys17HA-HB2 4.054 1.651 7.96e+008 ga Lys17HB2-HA 1.650 4.052 1.42e+009 ga Lys17HN-HB2 7.814 1.652 2.45e+009 ga Lys17HB2-HN 1.651 7.814 2.01e+009 ga Lys17HA-HD# 4.054 1.607 1.88e+008 ga Lys17HD#-HA 1.606 4.055 8.86e+008 ga Lys17HN-HD# 7.811 1.607 7.96e+007 ga Lys17HD#-HN 1.607 7.810 5.13e+008 ga Lys17HG#-Asp10HN 1.339 8.442 2.92e+008 ga Lys17HG#-Gln14HA 1.339 4.150 3.21e+008 ga Lys17HA-HG# 4.056 1.337 5.33e+008 ga Lys17HG#-HA 1.340 4.054 1.01e+009 ga Lys17HN-HG# 7.815 1.341 5.42e+008 ga Lys17HG#-HN 1.339 7.815 7.88e+008 ga Lys17HN-Arg15HA 7.812 4.208 2.51e+008 ga Lys16HN-Lys17HN 8.098 7.813 6.65e+008 ga Lys17HN-Lys16HN 7.814 8.097 8.15e+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 . . 30430 1 2 . . H 1 H . . 10.0 ppm . . . 5.0 . . 30430 1 stop_ save_