data_30429 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30429 _Entry.Title ; CSP1-K6A ; _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' 30429 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. . . . 30429 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CSP . 30429 'SIGNALING PROTEIN' . 30429 pneumococcus . 30429 'quorum sensing' . 30429 'signaling molecule' . 30429 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30429 spectral_peak_list 1 30429 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 30 30429 '15N chemical shifts' 19 30429 '1H chemical shifts' 113 30429 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' 30429 1 . . 2018-08-22 2018-03-12 original author 'original release' 30429 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30427 CSP1-E1A 30429 BMRB 30428 CSP1-R3A 30429 BMRB 30430 CSP1-F11A 30429 PDB 6COQ . 30429 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30429 _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. . . . 30429 1 2 G. Cornilescu G. . . . 30429 1 3 Y. Tal-Gan Y. . . . 30429 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30429 _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 . . . . . . 30429 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30429 _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 ; EMRLSAFFRDFILQRKK ; _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 K6A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2190.633 _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 30429 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 . 30429 1 2 . MET . 30429 1 3 . ARG . 30429 1 4 . LEU . 30429 1 5 . SER . 30429 1 6 . ALA . 30429 1 7 . PHE . 30429 1 8 . PHE . 30429 1 9 . ARG . 30429 1 10 . ASP . 30429 1 11 . PHE . 30429 1 12 . ILE . 30429 1 13 . LEU . 30429 1 14 . GLN . 30429 1 15 . ARG . 30429 1 16 . LYS . 30429 1 17 . LYS . 30429 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 30429 1 . MET 2 2 30429 1 . ARG 3 3 30429 1 . LEU 4 4 30429 1 . SER 5 5 30429 1 . ALA 6 6 30429 1 . PHE 7 7 30429 1 . PHE 8 8 30429 1 . ARG 9 9 30429 1 . ASP 10 10 30429 1 . PHE 11 11 30429 1 . ILE 12 12 30429 1 . LEU 13 13 30429 1 . GLN 14 14 30429 1 . ARG 15 15 30429 1 . LYS 16 16 30429 1 . LYS 17 17 30429 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 30429 _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 . . . . . . . . . . . . . 30429 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 30429 _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' . . . . . . . . . . . . . . . . 30429 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30429 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 mM D DPC, 1.9 mM competence stimulating peptide type 1 mutant-CSP1K6A, 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 . . . . 30429 1 2 'competence stimulating peptide type 1 mutant-CSP1K6A' 'natural abundance' . . 1 $entity_1 . . 1.9 . . mM . . . . 30429 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 30429 _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 30429 1 pH 7.4 . pH 30429 1 pressure 1 . atm 30429 1 temperature 298 . K 30429 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30429 _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' . . 30429 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30429 1 'structure calculation' 30429 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30429 _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 . . 30429 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30429 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 30429 _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 30429 _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 . . . 30429 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 30429 _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 . . . . . . . . . . . . . . . . 30429 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30429 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30429 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30429 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30429 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 30429 _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 . . . . . 30429 1 H 1 water protons . . . . ppm 4.771 na direct 1.000000000 . . . . . 30429 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 30429 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 30429 _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' . . . 30429 1 2 '2D 1H-1H TOCSY' . . . 30429 1 3 '2D 1H-1H NOESY' . . . 30429 1 4 '2D 1H-15N HSQC' . . . 30429 1 5 '2D 1H-13C HSQC' . . . 30429 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 H H 1 8.833 0.00 . 0 . . . . A 2 MET H . 30429 1 2 . 1 1 2 2 MET HA H 1 4.500 0.00 . 0 . . . . A 2 MET HA . 30429 1 3 . 1 1 2 2 MET HB2 H 1 2.073 0.00 . 0 . . . . A 2 MET HB2 . 30429 1 4 . 1 1 2 2 MET HB3 H 1 2.031 0.00 . 0 . . . . A 2 MET HB3 . 30429 1 5 . 1 1 2 2 MET HG2 H 1 2.600 0.00 . 0 . . . . A 2 MET HG2 . 30429 1 6 . 1 1 2 2 MET HG3 H 1 2.564 0.01 . 0 . . . . A 2 MET HG3 . 30429 1 7 . 1 1 3 3 ARG H H 1 8.795 0.00 . 0 . . . . A 3 ARG H . 30429 1 8 . 1 1 3 3 ARG HA H 1 4.406 0.00 . 0 . . . . A 3 ARG HA . 30429 1 9 . 1 1 3 3 ARG HB2 H 1 1.921 0.00 . 0 . . . . A 3 ARG HB2 . 30429 1 10 . 1 1 3 3 ARG HB3 H 1 1.846 0.00 . 0 . . . . A 3 ARG HB3 . 30429 1 11 . 1 1 3 3 ARG HG2 H 1 1.690 0.00 . 0 . . . . A 3 ARG HG2 . 30429 1 12 . 1 1 3 3 ARG HG3 H 1 1.625 0.00 . 0 . . . . A 3 ARG HG3 . 30429 1 13 . 1 1 3 3 ARG HD2 H 1 3.212 0.00 . 0 . . . . A 3 ARG HD2 . 30429 1 14 . 1 1 3 3 ARG HE H 1 7.454 0.01 . 0 . . . . A 3 ARG HE . 30429 1 15 . 1 1 3 3 ARG CA C 13 56.798 0.00 . 0 . . . . A 3 ARG CA . 30429 1 16 . 1 1 3 3 ARG CB C 13 30.453 0.00 . 0 . . . . A 3 ARG CB . 30429 1 17 . 1 1 3 3 ARG N N 15 124.240 0.00 . 0 . . . . A 3 ARG N . 30429 1 18 . 1 1 3 3 ARG NE N 15 90.205 0.00 . 0 . . . . A 3 ARG NE . 30429 1 19 . 1 1 4 4 LEU H H 1 8.837 0.00 . 0 . . . . A 4 LEU H . 30429 1 20 . 1 1 4 4 LEU HA H 1 4.148 0.00 . 0 . . . . A 4 LEU HA . 30429 1 21 . 1 1 4 4 LEU HB2 H 1 1.798 0.00 . 0 . . . . A 4 LEU HB2 . 30429 1 22 . 1 1 4 4 LEU HB3 H 1 1.729 0.00 . 0 . . . . A 4 LEU HB3 . 30429 1 23 . 1 1 4 4 LEU HG H 1 1.620 0.00 . 0 . . . . A 4 LEU HG . 30429 1 24 . 1 1 4 4 LEU HD11 H 1 0.944 0.00 . 0 . . . . A 4 LEU HD11 . 30429 1 25 . 1 1 4 4 LEU HD12 H 1 0.944 0.00 . 0 . . . . A 4 LEU HD12 . 30429 1 26 . 1 1 4 4 LEU HD13 H 1 0.944 0.00 . 0 . . . . A 4 LEU HD13 . 30429 1 27 . 1 1 4 4 LEU HD21 H 1 0.855 0.00 . 0 . . . . A 4 LEU HD21 . 30429 1 28 . 1 1 4 4 LEU HD22 H 1 0.855 0.00 . 0 . . . . A 4 LEU HD22 . 30429 1 29 . 1 1 4 4 LEU HD23 H 1 0.855 0.00 . 0 . . . . A 4 LEU HD23 . 30429 1 30 . 1 1 4 4 LEU CA C 13 57.920 0.00 . 0 . . . . A 4 LEU CA . 30429 1 31 . 1 1 4 4 LEU CB C 13 41.844 0.00 . 0 . . . . A 4 LEU CB . 30429 1 32 . 1 1 4 4 LEU N N 15 122.128 0.00 . 0 . . . . A 4 LEU N . 30429 1 33 . 1 1 5 5 SER H H 1 8.542 0.00 . 0 . . . . A 5 SER H . 30429 1 34 . 1 1 5 5 SER HA H 1 4.085 0.00 . 0 . . . . A 5 SER HA . 30429 1 35 . 1 1 5 5 SER HB2 H 1 3.956 0.00 . 0 . . . . A 5 SER HB2 . 30429 1 36 . 1 1 5 5 SER HB3 H 1 3.935 0.00 . 0 . . . . A 5 SER HB3 . 30429 1 37 . 1 1 5 5 SER CA C 13 62.023 0.00 . 0 . . . . A 5 SER CA . 30429 1 38 . 1 1 5 5 SER CB C 13 62.473 0.01 . 0 . . . . A 5 SER CB . 30429 1 39 . 1 1 5 5 SER N N 15 114.150 0.00 . 0 . . . . A 5 SER N . 30429 1 40 . 1 1 6 6 ALA H H 1 7.653 0.00 . 0 . . . . A 6 ALA H . 30429 1 41 . 1 1 6 6 ALA HA H 1 4.070 0.01 . 0 . . . . A 6 ALA HA . 30429 1 42 . 1 1 6 6 ALA HB1 H 1 1.455 0.00 . 0 . . . . A 6 ALA HB1 . 30429 1 43 . 1 1 6 6 ALA HB2 H 1 1.455 0.00 . 0 . . . . A 6 ALA HB2 . 30429 1 44 . 1 1 6 6 ALA HB3 H 1 1.455 0.00 . 0 . . . . A 6 ALA HB3 . 30429 1 45 . 1 1 6 6 ALA CA C 13 55.497 0.00 . 0 . . . . A 6 ALA CA . 30429 1 46 . 1 1 6 6 ALA CB C 13 18.523 0.00 . 0 . . . . A 6 ALA CB . 30429 1 47 . 1 1 6 6 ALA N N 15 124.149 0.00 . 0 . . . . A 6 ALA N . 30429 1 48 . 1 1 7 7 PHE H H 1 8.251 0.00 . 0 . . . . A 7 PHE H . 30429 1 49 . 1 1 7 7 PHE HA H 1 4.147 0.00 . 0 . . . . A 7 PHE HA . 30429 1 50 . 1 1 7 7 PHE HB2 H 1 3.148 0.00 . 0 . . . . A 7 PHE HB2 . 30429 1 51 . 1 1 7 7 PHE HD2 H 1 7.115 0.00 . 0 . . . . A 7 PHE HD2 . 30429 1 52 . 1 1 7 7 PHE HE2 H 1 7.227 0.00 . 0 . . . . A 7 PHE HE2 . 30429 1 53 . 1 1 7 7 PHE HZ H 1 7.187 0.00 . 0 . . . . A 7 PHE HZ . 30429 1 54 . 1 1 7 7 PHE CA C 13 61.355 0.00 . 0 . . . . A 7 PHE CA . 30429 1 55 . 1 1 7 7 PHE CB C 13 39.555 0.00 . 0 . . . . A 7 PHE CB . 30429 1 56 . 1 1 7 7 PHE N N 15 117.607 0.00 . 0 . . . . A 7 PHE N . 30429 1 57 . 1 1 8 8 PHE H H 1 7.968 0.00 . 0 . . . . A 8 PHE H . 30429 1 58 . 1 1 8 8 PHE HA H 1 4.322 0.00 . 0 . . . . A 8 PHE HA . 30429 1 59 . 1 1 8 8 PHE HB2 H 1 3.217 0.00 . 0 . . . . A 8 PHE HB2 . 30429 1 60 . 1 1 8 8 PHE HB3 H 1 3.053 0.00 . 0 . . . . A 8 PHE HB3 . 30429 1 61 . 1 1 8 8 PHE HD2 H 1 6.947 0.03 . 0 . . . . A 8 PHE HD2 . 30429 1 62 . 1 1 8 8 PHE HE2 H 1 7.014 0.00 . 0 . . . . A 8 PHE HE2 . 30429 1 63 . 1 1 8 8 PHE HZ H 1 7.011 0.00 . 0 . . . . A 8 PHE HZ . 30429 1 64 . 1 1 8 8 PHE CA C 13 61.060 0.00 . 0 . . . . A 8 PHE CA . 30429 1 65 . 1 1 8 8 PHE CB C 13 39.181 0.02 . 0 . . . . A 8 PHE CB . 30429 1 66 . 1 1 8 8 PHE N N 15 117.985 0.00 . 0 . . . . A 8 PHE N . 30429 1 67 . 1 1 9 9 ARG H H 1 8.257 0.02 . 0 . . . . A 9 ARG H . 30429 1 68 . 1 1 9 9 ARG HA H 1 3.825 0.00 . 0 . . . . A 9 ARG HA . 30429 1 69 . 1 1 9 9 ARG HB2 H 1 1.942 0.01 . 0 . . . . A 9 ARG HB2 . 30429 1 70 . 1 1 9 9 ARG HB3 H 1 1.748 0.00 . 0 . . . . A 9 ARG HB3 . 30429 1 71 . 1 1 9 9 ARG HG2 H 1 1.525 0.00 . 0 . . . . A 9 ARG HG2 . 30429 1 72 . 1 1 9 9 ARG HD2 H 1 3.208 0.00 . 0 . . . . A 9 ARG HD2 . 30429 1 73 . 1 1 9 9 ARG HE H 1 7.429 0.00 . 0 . . . . A 9 ARG HE . 30429 1 74 . 1 1 9 9 ARG CA C 13 60.099 0.00 . 0 . . . . A 9 ARG CA . 30429 1 75 . 1 1 9 9 ARG CB C 13 30.496 0.00 . 0 . . . . A 9 ARG CB . 30429 1 76 . 1 1 9 9 ARG N N 15 119.099 0.00 . 0 . . . . A 9 ARG N . 30429 1 77 . 1 1 9 9 ARG NE N 15 90.708 0.00 . 0 . . . . A 9 ARG NE . 30429 1 78 . 1 1 10 10 ASP H H 1 8.178 0.00 . 0 . . . . A 10 ASP H . 30429 1 79 . 1 1 10 10 ASP HA H 1 4.349 0.00 . 0 . . . . A 10 ASP HA . 30429 1 80 . 1 1 10 10 ASP HB2 H 1 2.597 0.00 . 0 . . . . A 10 ASP HB2 . 30429 1 81 . 1 1 10 10 ASP HB3 H 1 2.391 0.00 . 0 . . . . A 10 ASP HB3 . 30429 1 82 . 1 1 10 10 ASP CA C 13 56.995 0.00 . 0 . . . . A 10 ASP CA . 30429 1 83 . 1 1 10 10 ASP CB C 13 40.567 0.00 . 0 . . . . A 10 ASP CB . 30429 1 84 . 1 1 10 10 ASP N N 15 117.203 0.00 . 0 . . . . A 10 ASP N . 30429 1 85 . 1 1 11 11 PHE H H 1 7.977 0.00 . 0 . . . . A 11 PHE H . 30429 1 86 . 1 1 11 11 PHE HA H 1 4.203 0.00 . 0 . . . . A 11 PHE HA . 30429 1 87 . 1 1 11 11 PHE HB2 H 1 2.889 0.00 . 0 . . . . A 11 PHE HB2 . 30429 1 88 . 1 1 11 11 PHE HB3 H 1 2.725 0.00 . 0 . . . . A 11 PHE HB3 . 30429 1 89 . 1 1 11 11 PHE HE2 H 1 7.081 0.00 . 0 . . . . A 11 PHE HE2 . 30429 1 90 . 1 1 11 11 PHE CA C 13 60.411 0.00 . 0 . . . . A 11 PHE CA . 30429 1 91 . 1 1 11 11 PHE CB C 13 39.779 0.00 . 0 . . . . A 11 PHE CB . 30429 1 92 . 1 1 11 11 PHE N N 15 118.360 0.00 . 0 . . . . A 11 PHE N . 30429 1 93 . 1 1 12 12 ILE H H 1 7.664 0.00 . 0 . . . . A 12 ILE H . 30429 1 94 . 1 1 12 12 ILE HA H 1 3.758 0.00 . 0 . . . . A 12 ILE HA . 30429 1 95 . 1 1 12 12 ILE HB H 1 1.935 0.00 . 0 . . . . A 12 ILE HB . 30429 1 96 . 1 1 12 12 ILE HG12 H 1 1.183 0.00 . 0 . . . . A 12 ILE HG12 . 30429 1 97 . 1 1 12 12 ILE HG21 H 1 0.800 0.00 . 0 . . . . A 12 ILE HG21 . 30429 1 98 . 1 1 12 12 ILE HG22 H 1 0.800 0.00 . 0 . . . . A 12 ILE HG22 . 30429 1 99 . 1 1 12 12 ILE HG23 H 1 0.800 0.00 . 0 . . . . A 12 ILE HG23 . 30429 1 100 . 1 1 12 12 ILE HD11 H 1 0.763 0.00 . 0 . . . . A 12 ILE HD11 . 30429 1 101 . 1 1 12 12 ILE HD12 H 1 0.763 0.00 . 0 . . . . A 12 ILE HD12 . 30429 1 102 . 1 1 12 12 ILE HD13 H 1 0.763 0.00 . 0 . . . . A 12 ILE HD13 . 30429 1 103 . 1 1 12 12 ILE CA C 13 62.926 0.00 . 0 . . . . A 12 ILE CA . 30429 1 104 . 1 1 12 12 ILE CB C 13 37.595 0.00 . 0 . . . . A 12 ILE CB . 30429 1 105 . 1 1 12 12 ILE N N 15 116.666 0.00 . 0 . . . . A 12 ILE N . 30429 1 106 . 1 1 13 13 LEU H H 1 7.956 0.00 . 0 . . . . A 13 LEU H . 30429 1 107 . 1 1 13 13 LEU HA H 1 4.074 0.00 . 0 . . . . A 13 LEU HA . 30429 1 108 . 1 1 13 13 LEU HB2 H 1 1.805 0.00 . 0 . . . . A 13 LEU HB2 . 30429 1 109 . 1 1 13 13 LEU HB3 H 1 1.626 0.00 . 0 . . . . A 13 LEU HB3 . 30429 1 110 . 1 1 13 13 LEU HG H 1 1.535 0.00 . 0 . . . . A 13 LEU HG . 30429 1 111 . 1 1 13 13 LEU HD11 H 1 0.889 0.00 . 0 . . . . A 13 LEU HD11 . 30429 1 112 . 1 1 13 13 LEU HD12 H 1 0.889 0.00 . 0 . . . . A 13 LEU HD12 . 30429 1 113 . 1 1 13 13 LEU HD13 H 1 0.889 0.00 . 0 . . . . A 13 LEU HD13 . 30429 1 114 . 1 1 13 13 LEU HD21 H 1 0.836 0.00 . 0 . . . . A 13 LEU HD21 . 30429 1 115 . 1 1 13 13 LEU HD22 H 1 0.836 0.00 . 0 . . . . A 13 LEU HD22 . 30429 1 116 . 1 1 13 13 LEU HD23 H 1 0.836 0.00 . 0 . . . . A 13 LEU HD23 . 30429 1 117 . 1 1 13 13 LEU CA C 13 57.868 0.00 . 0 . . . . A 13 LEU CA . 30429 1 118 . 1 1 13 13 LEU CB C 13 42.133 0.00 . 0 . . . . A 13 LEU CB . 30429 1 119 . 1 1 13 13 LEU N N 15 118.372 0.00 . 0 . . . . A 13 LEU N . 30429 1 120 . 1 1 14 14 GLN H H 1 7.701 0.00 . 0 . . . . A 14 GLN H . 30429 1 121 . 1 1 14 14 GLN HA H 1 4.119 0.00 . 0 . . . . A 14 GLN HA . 30429 1 122 . 1 1 14 14 GLN HB2 H 1 2.041 0.00 . 0 . . . . A 14 GLN HB2 . 30429 1 123 . 1 1 14 14 GLN HB3 H 1 1.946 0.00 . 0 . . . . A 14 GLN HB3 . 30429 1 124 . 1 1 14 14 GLN HG2 H 1 2.280 0.00 . 0 . . . . A 14 GLN HG2 . 30429 1 125 . 1 1 14 14 GLN HG3 H 1 2.273 0.00 . 0 . . . . A 14 GLN HG3 . 30429 1 126 . 1 1 14 14 GLN HE22 H 1 7.458 0.00 . 0 . . . . A 14 GLN HE22 . 30429 1 127 . 1 1 14 14 GLN CA C 13 56.357 0.00 . 0 . . . . A 14 GLN CA . 30429 1 128 . 1 1 14 14 GLN CB C 13 28.498 0.00 . 0 . . . . A 14 GLN CB . 30429 1 129 . 1 1 14 14 GLN N N 15 116.507 0.00 . 0 . . . . A 14 GLN N . 30429 1 130 . 1 1 14 14 GLN NE2 N 15 112.749 0.00 . 0 . . . . A 14 GLN NE2 . 30429 1 131 . 1 1 15 15 ARG H H 1 7.692 0.00 . 0 . . . . A 15 ARG H . 30429 1 132 . 1 1 15 15 ARG HA H 1 4.164 0.00 . 0 . . . . A 15 ARG HA . 30429 1 133 . 1 1 15 15 ARG HB2 H 1 1.778 0.00 . 0 . . . . A 15 ARG HB2 . 30429 1 134 . 1 1 15 15 ARG HB3 H 1 1.632 0.00 . 0 . . . . A 15 ARG HB3 . 30429 1 135 . 1 1 15 15 ARG HG2 H 1 1.513 0.00 . 0 . . . . A 15 ARG HG2 . 30429 1 136 . 1 1 15 15 ARG HG3 H 1 1.480 0.00 . 0 . . . . A 15 ARG HG3 . 30429 1 137 . 1 1 15 15 ARG HD2 H 1 3.012 0.00 . 0 . . . . A 15 ARG HD2 . 30429 1 138 . 1 1 15 15 ARG HD3 H 1 2.987 0.00 . 0 . . . . A 15 ARG HD3 . 30429 1 139 . 1 1 15 15 ARG HE H 1 7.421 0.00 . 0 . . . . A 15 ARG HE . 30429 1 140 . 1 1 15 15 ARG CA C 13 56.277 0.00 . 0 . . . . A 15 ARG CA . 30429 1 141 . 1 1 15 15 ARG CB C 13 30.596 0.00 . 0 . . . . A 15 ARG CB . 30429 1 142 . 1 1 15 15 ARG N N 15 119.542 0.00 . 0 . . . . A 15 ARG N . 30429 1 143 . 1 1 15 15 ARG NE N 15 90.591 0.00 . 0 . . . . A 15 ARG NE . 30429 1 144 . 1 1 16 16 LYS H H 1 8.068 0.00 . 0 . . . . A 16 LYS H . 30429 1 145 . 1 1 16 16 LYS HA H 1 4.241 0.01 . 0 . . . . A 16 LYS HA . 30429 1 146 . 1 1 16 16 LYS HB2 H 1 1.821 0.00 . 0 . . . . A 16 LYS HB2 . 30429 1 147 . 1 1 16 16 LYS HB3 H 1 1.691 0.00 . 0 . . . . A 16 LYS HB3 . 30429 1 148 . 1 1 16 16 LYS HG2 H 1 1.408 0.00 . 0 . . . . A 16 LYS HG2 . 30429 1 149 . 1 1 16 16 LYS HD2 H 1 1.628 0.00 . 0 . . . . A 16 LYS HD2 . 30429 1 150 . 1 1 16 16 LYS HE2 H 1 2.928 0.00 . 0 . . . . A 16 LYS HE2 . 30429 1 151 . 1 1 16 16 LYS CA C 13 56.373 0.00 . 0 . . . . A 16 LYS CA . 30429 1 152 . 1 1 16 16 LYS CB C 13 33.037 0.00 . 0 . . . . A 16 LYS CB . 30429 1 153 . 1 1 16 16 LYS N N 15 122.156 0.00 . 0 . . . . A 16 LYS N . 30429 1 154 . 1 1 17 17 LYS H H 1 7.819 0.00 . 0 . . . . A 17 LYS H . 30429 1 155 . 1 1 17 17 LYS HA H 1 4.068 0.00 . 0 . . . . A 17 LYS HA . 30429 1 156 . 1 1 17 17 LYS HB2 H 1 1.759 0.00 . 0 . . . . A 17 LYS HB2 . 30429 1 157 . 1 1 17 17 LYS HB3 H 1 1.665 0.00 . 0 . . . . A 17 LYS HB3 . 30429 1 158 . 1 1 17 17 LYS HG2 H 1 1.350 0.00 . 0 . . . . A 17 LYS HG2 . 30429 1 159 . 1 1 17 17 LYS HD2 H 1 1.620 0.00 . 0 . . . . A 17 LYS HD2 . 30429 1 160 . 1 1 17 17 LYS CA C 13 56.652 0.00 . 0 . . . . A 17 LYS CA . 30429 1 161 . 1 1 17 17 LYS CB C 13 33.691 0.00 . 0 . . . . A 17 LYS CB . 30429 1 162 . 1 1 17 17 LYS N N 15 127.920 0.00 . 0 . . . . A 17 LYS N . 30429 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 30429 _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-HN 4.500 8.833 1.56e+008 ga Arg3HN-Met2HA 8.795 4.500 1.48e+009 ga Met2HA-Arg3HN 4.501 8.795 1.77e+009 ga Met2HA-Leu4HD1# 4.499 0.944 9.99e+007 ga Met2HA-Leu4HD2# 4.501 0.856 7.06e+007 ga Met2HA-Leu4HG 4.502 1.618 2.36e+008 ga Met2HA-Ser5HB1 4.500 3.958 5.71e+007 ga Met2HA-Ser5HB2 4.498 3.935 7.30e+007 ga Ser5HN-Met2HA 8.541 4.497 6.02e+007 ga Met2HA-Ser5HN 4.501 8.543 9.98e+007 ga Met2HA-Ala6HA 4.501 4.063 1.98e+008 ga Met2HA-HB1 4.501 2.075 3.26e+009 ga Met2HB1-HA 2.074 4.497 1.92e+009 ga Arg3HA-Met2HB1 4.406 2.073 3.49e+008 ga Met2HB1-Arg3HA 2.073 4.406 5.34e+008 ga Arg3HN-Met2HB1 8.795 2.074 1.01e+009 ga Met2HB1-Arg3HN 2.074 8.795 6.33e+008 ga Leu4HN-Met2HB1 8.837 2.074 4.20e+008 ga Met2HB1-Leu4HN 2.074 8.837 2.03e+008 ga Met2HB1-Ser5HB1 2.073 3.956 4.99e+008 ga Met2HB1-Ser5HB2 2.072 3.934 2.67e+008 ga Ser5HN-Met2HB1 8.542 2.072 3.11e+008 ga Met2HB1-Ser5HN 2.074 8.543 3.66e+008 ga Met2HB1-Ala6HA 2.072 4.064 3.76e+009 ga Met2HB1-Ala6HN 2.072 7.652 1.94e+009 ga Met2HB2-Arg3HN 2.032 8.795 3.53e+007 ga Met2HB2-Leu4HD1# 2.031 0.944 3.15e+008 ga Met2HB2-Leu4HD2# 2.031 0.854 3.35e+008 ga Met2HB2-Leu4HN 2.031 8.838 3.95e+007 ga Met2HB2-Ser5HB1 2.031 3.958 1.60e+008 ga Met2HB2-Ser5HB2 2.031 3.936 9.20e+007 ga Met2HB2-Ser5HN 2.030 8.541 8.76e+007 ga Met2HB2-Ala6HB# 2.033 1.456 1.59e+008 ga Met2HB2-Phe7HE# 2.031 7.225 6.30e+007 ga Met2HB2-Phe7HZ 2.031 7.187 4.55e+007 ga Met2HG1-HA 2.600 4.499 4.02e+008 ga Met2HG1-HB1 2.600 2.074 2.35e+009 ga Met2HG1-Arg3HA 2.600 4.406 8.56e+007 ga Met2HG1-Arg3HN 2.599 8.795 1.34e+008 ga Met2HG1-Leu4HD1# 2.598 0.945 6.22e+007 ga Met2HG1-Leu4HN 2.602 8.839 5.13e+007 ga Met2HG1-Ser5HB1 2.599 3.956 3.78e+007 ga Met2HG1-Ser5HB2 2.601 3.937 2.51e+007 ga Met2HG1-Ser5HN 2.598 8.542 1.11e+008 ga Met2HG1-Ala6HA 2.602 4.065 3.28e+008 ga Met2HG1-Ala6HB# 2.600 1.454 1.90e+008 ga Met2HG2-HA 2.560 4.500 6.01e+008 ga Met2HG2-HB1 2.560 2.073 2.39e+009 ga Met2HG2-Arg3HA 2.560 4.408 8.73e+007 ga Met2HG2-Arg3HN 2.561 8.795 1.78e+008 ga Met2HG2-Leu4HD1# 2.564 0.945 1.44e+008 ga Met2HG2-Leu4HD2# 2.559 0.854 1.61e+008 ga Met2HG2-Leu4HD2# 2.597 0.856 8.83e+007 ga Met2HG2-Leu4HN 2.559 8.834 4.64e+007 ga Met2HG2-Ser5HB1 2.561 3.953 5.81e+007 ga Met2HG2-Ser5HB2 2.560 3.933 4.55e+007 ga Met2HG2-Ser5HN 2.559 8.543 1.00e+008 ga Met2HG2-Ala6HA 2.562 4.064 3.44e+008 ga Met2HG2-Ala6HB# 2.564 1.454 1.08e+008 ga Met2HA-Arg3HA 4.500 4.405 3.13e+008 ga Arg3HA-Met2HA 4.407 4.500 1.28e+008 ga Arg3HA-HE 4.409 7.462 9.00e+007 ga Arg3HN-HA 8.795 4.405 1.00e+009 ga Arg3HA-HN 4.405 8.794 7.84e+008 ga Arg3HA-Leu4HG 4.406 1.622 1.91e+009 ga Leu4HN-Arg3HA 8.837 4.405 2.26e+009 ga Arg3HA-Leu4HN 4.405 8.837 1.19e+009 ga Arg3HA-Ser5HA 4.407 4.084 3.31e+008 ga Arg3HA-Ser5HB1 4.406 3.956 7.87e+007 ga Arg3HA-Ser5HB2 4.406 3.930 4.63e+007 ga Ser5HN-Arg3HA 8.542 4.405 3.44e+008 ga Arg3HA-Ser5HN 4.406 8.543 4.74e+008 ga Ala6HN-Arg3HA 7.653 4.405 2.14e+008 ga Arg3HA-Ala6HN 4.406 7.652 2.68e+008 ga Phe8HN-Arg3HA 7.967 4.403 1.06e+008 ga Arg3HA-Phe8HN 4.406 7.968 1.24e+008 ga Met2HA-Arg3HB1 4.500 1.921 2.81e+008 ga Arg3HB1-Met2HA 1.919 4.499 1.92e+008 ga Arg3HA-HB1 4.405 1.920 2.27e+009 ga Arg3HB1-HA 1.919 4.405 1.97e+009 ga Arg3HN-HB1 8.795 1.920 8.90e+008 ga Arg3HB1-HN 1.918 8.795 5.39e+008 ga Arg3HB1-Leu4HD1# 1.917 0.942 2.63e+008 ga Leu4HN-Arg3HB1 8.837 1.921 7.58e+008 ga Arg3HB1-Leu4HN 1.918 8.837 3.28e+008 ga Ser5HB1-Arg3HB1 3.953 1.923 4.78e+007 ga Arg3HB1-Ser5HB1 1.927 3.957 6.71e+008 ga Ser5HB2-Arg3HB1 3.929 1.922 6.89e+007 ga Arg3HB1-Ser5HB2 1.924 3.935 9.49e+007 ga Ser5HN-Arg3HB1 8.542 1.919 2.69e+008 ga Arg3HB1-Ser5HN 1.919 8.543 3.08e+008 ga Met2HA-Arg3HB2 4.501 1.848 3.92e+008 ga Arg3HB2-Met2HA 1.848 4.500 1.76e+008 ga Arg3HA-HB2 4.405 1.847 1.95e+009 ga Arg3HB2-HA 1.847 4.405 1.67e+009 ga Arg3HD#-HB2 3.207 1.848 1.78e+009 ga Arg3HB2-HD# 1.847 3.213 2.52e+009 ga Arg3HB2-HE 1.849 7.459 3.40e+008 ga Arg3HN-HB2 8.795 1.847 1.24e+009 ga Arg3HB2-HN 1.847 8.795 5.85e+008 ga Arg3HB2-Leu4HD1# 1.841 0.945 1.91e+008 ga Leu4HN-Arg3HB2 8.837 1.846 8.02e+008 ga Arg3HB2-Leu4HN 1.847 8.837 3.57e+008 ga Ser5HN-Arg3HB2 8.541 1.844 2.15e+008 ga Arg3HB2-Ser5HN 1.845 8.542 2.24e+008 ga Ala6HN-Arg3HB2 7.653 1.845 3.66e+008 ga Arg3HB2-Ala6HN 1.847 7.652 1.59e+008 ga Arg3HA-HD# 4.405 3.214 1.29e+009 ga Arg3HD#-HA 3.206 4.405 8.54e+008 ga Arg3HD#-HB1 3.207 1.927 5.75e+009 ga Arg3HN-HD# 8.795 3.214 3.70e+008 ga Arg3HD#-HN 3.208 8.795 1.95e+008 ga Arg3HD#-Leu4HN 3.212 8.839 1.62e+008 ga Met2HA-Arg3HG1 4.500 1.690 3.67e+008 ga Arg3HG1-Met2HA 1.688 4.501 2.00e+008 ga Arg3HA-HG1 4.406 1.690 1.82e+009 ga Arg3HG1-HA 1.690 4.405 1.15e+009 ga Arg3HD#-HG1 3.208 1.690 3.34e+009 ga Arg3HG1-HD# 1.690 3.213 2.79e+009 ga Arg3HG1-HE 1.692 7.458 1.55e+008 ga Arg3HN-HG1 8.795 1.690 9.10e+008 ga Arg3HG1-HN 1.690 8.795 4.60e+008 ga Arg3HG1-Ala6HN 1.689 7.654 2.01e+009 ga Arg3HG2-Met2HA 1.623 4.500 3.46e+008 ga Arg3HG2-HA 1.624 4.405 1.72e+009 ga Arg3HD#-HG2 3.210 1.623 4.06e+009 ga Arg3HG2-HD# 1.624 3.216 2.66e+009 ga Arg3HG2-HE 1.628 7.456 1.82e+008 ga Arg3HG2-HN 1.625 8.795 4.47e+008 ga Arg3HN-Leu4HG 8.796 1.622 7.45e+008 ga Leu4HN-Arg3HN 8.835 8.795 3.43e+009 ga Arg3HN-Leu4HN 8.796 8.834 9.49e+009 ga Arg3HN-Ala6HA 8.793 4.065 9.70e+008 ga Arg3HN-Ala6HN 8.797 7.651 1.15e+008 ga Arg3HN-Phe8HN 8.795 7.968 4.19e+007 ga Arg3HA-Leu4HA 4.405 4.147 5.37e+008 ga Leu4HA-Arg3HA 4.148 4.405 3.82e+008 ga Arg3HN-Leu4HA 8.801 4.148 1.73e+008 ga Leu4HA-Arg3HN 4.149 8.793 1.38e+008 ga Leu4HA-HB2 4.148 1.728 1.30e+010 ga Leu4HN-HA 8.837 4.148 1.60e+009 ga Leu4HA-HN 4.148 8.838 5.42e+008 ga Ser5HN-Leu4HA 8.542 4.147 8.97e+008 ga Leu4HA-Ser5HN 4.147 8.542 8.96e+008 ga Leu4HB1-Met2HB1 1.797 2.074 1.85e+008 ga Arg3HA-Leu4HB1 4.405 1.798 7.08e+008 ga Leu4HB1-Arg3HA 1.797 4.405 5.02e+008 ga Leu4HB1-Arg3HN 1.790 8.792 5.48e+008 ga Leu4HB1-HA 1.792 4.151 4.82e+009 ga Leu4HN-HB1 8.837 1.798 2.02e+009 ga Leu4HB1-HN 1.796 8.837 8.46e+008 ga Ser5HB1-Leu4HB1 3.954 1.799 3.89e+008 ga Leu4HB1-Ser5HB1 1.799 3.955 8.10e+008 ga Ser5HB2-Leu4HB1 3.934 1.798 9.65e+006 ga Leu4HB1-Ser5HB2 1.797 3.938 2.07e+008 ga Ser5HN-Leu4HB1 8.542 1.799 8.34e+008 ga Leu4HB1-Ser5HN 1.797 8.542 1.09e+009 ga Leu4HB1-Phe7HD# 1.793 7.114 6.53e+007 ga Phe7HE#-Leu4HB1 7.227 1.801 2.08e+008 ga Leu4HB1-Phe7HE# 1.796 7.226 2.94e+008 ga Phe7HZ-Leu4HB1 7.184 1.797 1.25e+008 ga Leu4HB1-Phe7HZ 1.800 7.185 1.73e+008 ga Leu4HB2-Met2HB1 1.727 2.074 4.23e+009 ga Leu4HN-HB2 8.837 1.727 1.93e+009 ga Leu4HB2-HN 1.727 8.837 7.49e+008 ga Leu4HB2-Ser5HB1 1.733 3.956 1.06e+008 ga Leu4HB2-Ser5HB2 1.727 3.933 9.84e+007 ga Ser5HN-Leu4HB2 8.542 1.728 4.01e+008 ga Leu4HB2-Ser5HN 1.727 8.542 5.28e+008 ga Leu4HB2-Phe7HA 1.727 4.147 1.61e+009 ga Phe7HE#-Leu4HB2 7.227 1.734 2.17e+008 ga Leu4HB2-Phe7HE# 1.731 7.226 2.74e+008 ga Leu4HB2-Phe7HZ 1.730 7.185 1.69e+008 ga Met2HB1-Leu4HD1# 2.074 0.944 3.47e+008 ga Leu4HD1#-Met2HB1 0.945 2.073 3.93e+008 ga Arg3HA-Leu4HD1# 4.405 0.943 1.95e+008 ga Leu4HD1#-Arg3HA 0.944 4.405 1.26e+008 ga Leu4HD1#-Arg3HD# 0.945 3.220 4.43e+008 ga Leu4HD1#-Arg3HN 0.945 8.797 1.21e+008 ga Leu4HA-HD1# 4.148 0.944 1.66e+009 ga Leu4HD1#-HA 0.945 4.147 2.33e+009 ga Leu4HB1-HD1# 1.796 0.944 2.59e+009 ga Leu4HD1#-HB1 0.945 1.798 3.01e+009 ga Leu4HB2-HD1# 1.726 0.943 3.24e+009 ga Leu4HD1#-HB2 0.945 1.731 3.90e+009 ga Leu4HG-HD1# 1.618 0.944 2.40e+009 ga Leu4HD1#-HG 0.945 1.615 2.83e+009 ga Leu4HN-HD1# 8.837 0.944 6.89e+008 ga Leu4HD1#-HN 0.945 8.838 3.05e+008 ga Ser5HA-Leu4HD1# 4.084 0.944 8.16e+007 ga Leu4HD1#-Ser5HA 0.945 4.085 3.04e+008 ga Ser5HB1-Leu4HD1# 3.960 0.944 3.89e+007 ga Leu4HD1#-Ser5HB1 0.944 3.957 5.82e+007 ga Ser5HB2-Leu4HD1# 3.938 0.946 7.42e+007 ga Leu4HD1#-Ser5HB2 0.946 3.937 6.74e+007 ga Ser5HN-Leu4HD1# 8.542 0.944 2.66e+008 ga Leu4HD1#-Ser5HN 0.945 8.542 3.85e+008 ga Ala6HN-Leu4HD1# 7.653 0.945 5.66e+007 ga Leu4HD1#-Ala6HN 0.944 7.653 9.66e+007 ga Phe7HD#-Leu4HD1# 7.115 0.943 1.43e+008 ga Leu4HD1#-Phe7HD# 0.945 7.113 1.07e+008 ga Phe7HE#-Leu4HD1# 7.226 0.944 2.36e+008 ga Leu4HD1#-Phe7HE# 0.945 7.226 3.16e+008 ga Phe7HN-Leu4HD1# 8.251 0.944 1.83e+008 ga Leu4HD1#-Phe7HN 0.944 8.250 2.38e+008 ga Phe7HZ-Leu4HD1# 7.185 0.944 3.45e+008 ga Leu4HD1#-Phe7HZ 0.945 7.185 3.89e+008 ga Phe8HA-Leu4HD1# 4.321 0.945 1.66e+008 ga Leu4HD1#-Phe8HA 0.946 4.322 6.53e+007 ga Phe8HB2-Leu4HD1# 3.053 0.943 2.97e+008 ga Leu4HD1#-Phe8HB2 0.944 3.052 4.12e+008 ga Leu4HD1#-Phe8HE# 0.945 7.013 4.03e+007 ga Phe8HN-Leu4HD1# 7.969 0.944 1.13e+008 ga Leu4HD1#-Phe8HN 0.945 7.968 2.10e+008 ga Leu4HD1#-Arg9HA 0.949 3.823 3.27e+007 ga Leu4HD1#-Leu13HG 0.926 1.541 3.18e+007 ga Leu4HD1#-Leu13HG 0.948 1.539 1.32e+008 ga Met2HB1-Leu4HD2# 2.073 0.854 4.00e+008 ga Leu4HD2#-Met2HB1 0.856 2.074 3.12e+009 ga Arg3HA-Leu4HD2# 4.406 0.854 1.84e+008 ga Leu4HD2#-Arg3HA 0.855 4.405 1.36e+008 ga Leu4HD2#-Arg3HD# 0.855 3.220 4.09e+008 ga Leu4HD2#-Arg3HN 0.856 8.796 8.63e+007 ga Leu4HA-HD2# 4.148 0.855 2.71e+009 ga Leu4HD2#-HA 0.855 4.148 4.26e+009 ga Leu4HB1-HD2# 1.798 0.854 1.66e+009 ga Leu4HD2#-HB1 0.851 1.799 4.11e+009 ga Leu4HB2-HD2# 1.727 0.854 2.99e+009 ga Leu4HD2#-HB2 0.855 1.730 3.85e+009 ga Leu4HN-HD2# 8.838 0.855 6.11e+008 ga Leu4HD2#-HN 0.855 8.837 3.07e+008 ga Leu4HD2#-Ser5HB1 0.856 3.957 7.83e+007 ga Leu4HD2#-Ser5HB2 0.855 3.934 1.12e+008 ga Ser5HN-Leu4HD2# 8.542 0.855 2.62e+008 ga Leu4HD2#-Ser5HN 0.855 8.542 3.77e+008 ga Phe7HE#-Leu4HD2# 7.227 0.855 1.89e+008 ga Leu4HD2#-Phe7HE# 0.851 7.227 4.99e+008 ga Phe7HN-Leu4HD2# 8.248 0.854 1.57e+008 ga Leu4HD2#-Phe7HN 0.854 8.250 2.95e+008 ga Phe7HZ-Leu4HD2# 7.184 0.854 2.79e+008 ga Leu4HD2#-Phe7HZ 0.851 7.184 6.72e+008 ga Phe8HA-Leu4HD2# 4.325 0.855 1.12e+008 ga Leu4HD2#-Phe8HA 0.856 4.323 9.56e+007 ga Phe8HB2-Leu4HD2# 3.052 0.855 3.56e+008 ga Leu4HD2#-Phe8HB2 0.855 3.052 5.60e+008 ga Phe8HZ-Leu4HD2# 7.011 0.855 1.35e+008 ga Leu4HD2#-Phe8HZ 0.854 7.011 4.07e+007 ga Leu4HG-Met2HB1 1.621 2.074 2.34e+009 ga Leu4HG-HA 1.620 4.150 6.51e+009 ga Leu4HG-HD2# 1.619 0.853 2.61e+009 ga Leu4HN-HG 8.837 1.616 1.98e+009 ga Leu4HG-HN 1.619 8.837 8.33e+008 ga Leu4HG-Ser5HB1 1.620 3.956 3.20e+008 ga Ser5HB2-Leu4HG 3.938 1.617 2.62e+008 ga Leu4HG-Ser5HB2 1.620 3.937 1.85e+008 ga Ser5HN-Leu4HG 8.542 1.615 9.87e+008 ga Leu4HG-Ser5HN 1.618 8.542 1.18e+009 ga Phe7HD#-Leu4HG 7.117 1.624 5.86e+007 ga Leu4HG-Phe7HD# 1.621 7.115 1.44e+008 ga Phe7HE#-Leu4HG 7.227 1.622 3.90e+008 ga Leu4HG-Phe7HE# 1.622 7.226 4.76e+008 ga Phe7HN-Leu4HG 8.252 1.612 4.72e+008 ga Leu4HG-Phe7HN 1.621 8.255 2.86e+008 ga Phe7HZ-Leu4HG 7.186 1.620 2.65e+008 ga Leu4HG-Phe7HZ 1.621 7.184 2.97e+008 ga Leu4HN-Met2HA 8.833 4.500 1.32e+008 ga Leu4HN-Ser5HB1 8.837 3.957 1.53e+008 ga Leu4HN-Ser5HB2 8.838 3.935 1.98e+008 ga Leu4HN-Phe7HE# 8.841 7.227 1.54e+008 ga Leu4HN-Phe7HN 8.837 8.252 8.06e+007 ga Leu4HN-Phe7HZ 8.841 7.187 4.61e+007 ga Leu4HN-Phe8HA 8.834 4.324 7.94e+007 ga Leu4HN-Phe8HB1 8.836 3.219 4.59e+008 ga Leu4HN-Phe8HB2 8.836 3.054 1.43e+008 ga Leu4HN-Phe8HN 8.837 7.968 1.17e+008 ga Leu4HN-Ser5HA 8.838 4.086 1.98e+008 ga Ser5HA-Leu4HN 4.084 8.838 9.39e+007 ga Ser5HN-HA 8.542 4.086 1.98e+009 ga Ser5HA-HN 4.085 8.542 1.72e+009 ga Phe7HE#-Ser5HA 7.227 4.085 8.00e+008 ga Ser5HA-Phe7HE# 4.084 7.227 5.00e+008 ga Phe7HZ-Ser5HA 7.187 4.084 1.59e+008 ga Ser5HA-Phe7HZ 4.083 7.186 1.56e+008 ga Ser5HB1-HA 3.952 4.086 6.42e+009 ga Ser5HN-HB1 8.542 3.956 1.42e+009 ga Ser5HB1-HN 3.950 8.542 8.22e+008 ga Ala6HN-Ser5HB1 7.652 3.957 7.62e+008 ga Ser5HB1-Ala6HN 3.952 7.652 1.35e+009 ga Ser5HB1-Phe7HE# 3.956 7.226 2.98e+008 ga Phe7HN-Ser5HB1 8.254 3.956 1.75e+008 ga Ser5HB1-Phe7HN 3.953 8.252 5.20e+008 ga Phe8HN-Ser5HB1 7.967 3.958 1.57e+008 ga Ser5HB1-Phe8HN 3.956 7.968 4.10e+008 ga Ser5HB2-Leu4HA 3.938 4.148 3.62e+008 ga Ser5HN-HB2 8.542 3.935 1.45e+009 ga Ser5HB2-HN 3.944 8.542 2.10e+009 ga Ser5HB2-Phe7HZ 3.928 7.185 3.63e+007 ga Ser5HN-Arg3HG1 8.542 1.687 1.11e+008 ga Arg3HN-Ser5HN 8.796 8.541 1.40e+008 ga Ser5HN-Arg3HN 8.540 8.796 1.05e+008 ga Leu4HN-Ser5HN 8.837 8.542 1.13e+009 ga Ser5HN-Leu4HN 8.541 8.837 3.63e+008 ga Ser5HN-Phe8HA 8.542 4.325 4.36e+008 ga Ala6HN-HA 7.653 4.078 3.33e+009 ga Ala6HA-HN 4.075 7.653 2.91e+009 ga Ala6HA-Arg9HD# 4.072 3.208 1.14e+009 ga Ala6HA-Arg9HE 4.072 7.430 2.18e+008 ga Met2HA-Ala6HB# 4.500 1.456 1.41e+008 ga Ala6HB#-Met2HA 1.456 4.499 1.90e+008 ga Met2HB1-Ala6HB# 2.073 1.454 2.67e+008 ga Ala6HB#-Met2HB1 1.455 2.074 2.54e+008 ga Arg3HA-Ala6HB# 4.405 1.455 7.55e+008 ga Ala6HB#-Arg3HA 1.455 4.405 7.56e+008 ga Ala6HB#-Arg3HD# 1.455 3.216 1.33e+009 ga Arg3HN-Ala6HB# 8.795 1.454 2.40e+008 ga Ala6HB#-Arg3HN 1.456 8.795 1.48e+008 ga Leu4HN-Ala6HB# 8.836 1.454 2.13e+008 ga Ala6HB#-Leu4HN 1.456 8.838 1.77e+008 ga Ser5HB1-Ala6HB# 3.953 1.454 5.86e+008 ga Ala6HB#-Ser5HB1 1.455 3.957 5.66e+008 ga Ala6HB#-Ser5HB2 1.455 3.936 3.91e+008 ga Ser5HN-Ala6HB# 8.542 1.455 4.66e+008 ga Ala6HB#-Ser5HN 1.455 8.542 6.30e+008 ga Ala6HA-HB# 4.071 1.454 6.35e+009 ga Ala6HB#-HA 1.455 4.072 8.97e+009 ga Ala6HN-HB# 7.653 1.455 4.86e+009 ga Ala6HB#-HN 1.455 7.653 5.08e+009 ga Ala6HB#-Phe7HN 1.456 8.256 9.34e+008 ga Phe8HA-Ala6HB# 4.321 1.455 5.59e+008 ga Ala6HB#-Phe8HA 1.455 4.321 8.96e+008 ga Phe8HB2-Ala6HB# 3.052 1.454 5.83e+008 ga Ala6HB#-Phe8HB2 1.455 3.051 8.40e+008 ga Phe8HN-Ala6HB# 7.968 1.455 2.32e+009 ga Ala6HB#-Phe8HN 1.455 7.968 3.24e+009 ga Ala6HB#-Arg9HA 1.465 3.825 6.48e+008 ga Asp10HN-Ala6HB# 8.178 1.455 2.27e+008 ga Ala6HB#-Asp10HN 1.455 8.178 3.59e+008 ga Ala6HN-Leu4HD2# 7.654 0.855 9.43e+007 ga Leu4HN-Ala6HN 8.838 7.651 1.91e+008 ga Ala6HN-Leu4HN 7.650 8.838 6.13e+007 ga Ala6HN-Ser5HB2 7.652 3.935 6.71e+008 ga Ser5HN-Ala6HN 8.542 7.652 1.14e+009 ga Ala6HN-Ser5HN 7.652 8.542 1.24e+009 ga Phe7HN-Ala6HN 8.254 7.655 4.77e+008 ga Ala6HN-Phe7HN 7.655 8.251 5.39e+008 ga Ala6HN-Phe8HN 7.658 7.968 4.49e+009 ga Phe7HA-HD# 4.148 7.113 4.22e+007 ga Phe7HE#-HA 7.227 4.146 2.16e+009 ga Phe7HA-HE# 4.146 7.227 1.55e+009 ga Phe7HN-HA 8.252 4.146 2.51e+009 ga Phe7HA-HN 4.146 8.251 2.35e+009 ga Phe7HZ-HA 7.188 4.146 3.16e+008 ga Phe7HA-HZ 4.146 7.186 3.42e+008 ga Phe8HA-Phe7HA 4.322 4.147 6.95e+008 ga Phe7HA-Phe8HA 4.147 4.322 7.10e+008 ga Phe8HD#-Phe7HA 6.952 4.147 1.10e+009 ga Phe7HA-Phe8HD# 4.147 6.953 6.97e+007 ga Phe8HN-Phe7HA 7.970 4.147 2.25e+009 ga Phe7HA-Phe8HN 4.147 7.971 2.17e+009 ga Phe8HZ-Phe7HA 7.011 4.146 3.66e+008 ga Phe7HA-Phe8HZ 4.146 7.011 8.76e+007 ga Asp10HN-Phe7HA 8.179 4.145 3.44e+008 ga Phe7HA-Asp10HN 4.147 8.178 3.41e+008 ga Phe11HE#-Phe7HA 7.081 4.146 6.13e+008 ga Phe7HA-Phe11HE# 4.146 7.081 2.07e+008 ga Phe7HB#-Leu4HD1# 3.148 0.945 2.42e+008 ga Phe7HB#-Leu4HD2# 3.152 0.855 3.63e+009 ga Ser5HA-Phe7HB# 4.085 3.152 2.18e+009 ga Phe7HB#-Ser5HA 3.147 4.085 1.99e+009 ga Phe7HB#-Ser5HB1 3.141 3.956 1.13e+008 Phe7HB#-Ser5HB2 3.153 3.936 8.53e+008 Ser5HN-Phe7HB# 8.538 3.144 3.97e+008 ga Phe7HB#-Ser5HN 3.147 8.542 1.71e+008 ga Phe7HB#-Ala6HN 3.149 7.659 3.45e+008 ga Phe7HA-HB# 4.146 3.150 4.46e+009 ga Phe7HB#-HA 3.146 4.145 4.41e+009 ga Phe7HE#-HB# 7.227 3.150 2.74e+009 ga Phe7HB#-HE# 3.147 7.227 2.18e+009 ga Phe7HN-HB# 8.253 3.149 6.41e+009 ga Phe7HB#-HN 3.146 8.252 6.30e+009 ga Phe7HZ-HB# 7.185 3.152 4.43e+008 ga Phe7HB#-HZ 3.146 7.185 3.97e+008 ga Phe7HB#-Phe8HA 3.139 4.321 2.38e+008 Phe8HN-Phe7HB# 7.969 3.149 1.11e+009 ga Phe7HB#-Phe8HN 3.146 7.970 9.79e+008 ga Phe7HB#-Phe8HZ 3.137 7.011 1.14e+008 ga Phe7HB#-Arg9HA 3.146 3.826 5.17e+008 ga Phe7HB#-Asp10HN 3.145 8.179 5.82e+008 ga Phe7HB#-Phe11HE# 3.141 7.080 8.73e+007 ga Phe7HB#-Ile12HB 3.146 1.934 1.32e+009 ga Phe7HB#-Ile12HD# 3.151 0.764 4.71e+008 ga Phe7HB#-Ile12HG2# 3.149 0.800 1.33e+008 ga Phe7HB#-Leu13HD1# 3.157 0.889 4.72e+007 ga Phe7HD#-Leu4HA 7.118 4.148 6.15e+007 ga Phe7HD#-Leu4HD2# 7.115 0.853 1.12e+008 ga Phe7HD#-Ser5HA 7.116 4.084 1.59e+008 ga Phe7HE#-HD# 7.225 7.114 5.07e+008 ga Phe7HD#-HE# 7.118 7.226 4.27e+008 ga Phe7HZ-HD# 7.183 7.114 2.66e+009 ga Phe7HD#-HZ 7.116 7.185 3.28e+009 ga Ser5HN-Phe7HE# 8.540 7.226 7.10e+007 ga Phe7HE#-Ser5HN 7.228 8.543 8.75e+007 ga Phe7HN-HE# 8.252 7.227 7.58e+008 ga Phe7HE#-HN 7.227 8.251 9.76e+008 ga Asp10HN-Phe7HE# 8.178 7.227 1.67e+008 ga Phe7HE#-Asp10HN 7.227 8.177 1.39e+008 ga Phe11HN-Phe7HE# 7.973 7.227 4.28e+008 ga Phe7HE#-Phe11HN 7.227 7.974 4.96e+008 ga Ile12HN-Phe7HE# 7.665 7.227 2.28e+008 ga Phe7HE#-Ile12HN 7.227 7.663 2.62e+008 ga Phe7HE#-Leu13HD2# 7.226 0.836 1.32e+008 ga Phe7HE#-Gln14HN 7.227 7.703 5.38e+007 ga Phe7HE#-Arg15HG2 7.227 1.480 6.83e+008 ga Phe7HN-Ser5HB2 8.254 3.935 2.36e+008 ga Ser5HN-Phe7HN 8.542 8.249 2.15e+008 ga Phe7HN-Ser5HN 8.252 8.543 1.48e+008 ga Phe7HN-Phe8HA 8.251 4.321 1.06e+009 ga Phe7HN-Ile12HD# 8.253 0.761 1.75e+008 ga Phe7HZ-Ser5HN 7.187 8.543 3.82e+007 ga Phe7HN-HZ 8.252 7.185 1.24e+008 ga Phe7HZ-HN 7.186 8.251 1.65e+008 ga Phe7HZ-Phe8HN 7.185 7.963 2.52e+008 ga Phe7HZ-Asp10HN 7.185 8.182 3.21e+007 ga Phe7HZ-Phe11HE# 7.192 7.079 3.41e+008 ga Ile12HN-Phe7HZ 7.667 7.186 5.88e+007 ga Phe7HZ-Ile12HN 7.186 7.663 1.02e+008 ga Phe7HZ-Leu13HD2# 7.185 0.837 2.60e+008 ga Phe7HZ-Arg15HD1 7.191 3.013 5.70e+007 ga Phe7HZ-Arg15HG2 7.189 1.478 5.40e+008 ga Ala6HN-Phe8HA 7.655 4.322 2.87e+008 ga Phe8HA-Ala6HN 4.322 7.653 2.44e+008 ga Phe7HE#-Phe8HA 7.227 4.320 3.58e+008 ga Phe8HA-Phe7HE# 4.323 7.226 2.39e+008 ga Phe7HZ-Phe8HA 7.189 4.320 1.28e+009 ga Phe8HA-Phe7HZ 4.321 7.193 4.88e+007 ga Phe8HD#-HA 6.952 4.321 1.65e+009 ga Phe8HA-HD# 4.321 6.951 1.03e+008 ga Phe8HN-HA 7.969 4.321 1.69e+009 ga Phe8HA-HN 4.322 7.969 1.61e+009 ga Phe8HZ-HA 7.010 4.321 3.24e+008 ga Phe8HA-HZ 4.321 7.011 7.31e+007 ga Phe8HA-Arg9HN 4.322 8.250 1.09e+009 ga Phe11HE#-Phe8HA 7.082 4.321 5.61e+008 ga Phe8HA-Phe11HE# 4.321 7.080 1.89e+008 ga Phe8HB1-Leu4HD1# 3.219 0.944 2.97e+008 ga Phe8HB1-Leu4HD2# 3.218 0.855 2.74e+008 ga Phe8HB1-Ser5HB1 3.208 3.959 1.59e+008 ga Phe8HB1-Ser5HB2 3.205 3.937 2.88e+008 ga Ser5HN-Phe8HB1 8.543 3.219 1.84e+008 ga Phe8HB1-Ser5HN 3.215 8.544 1.70e+008 ga Phe8HB1-Ala6HA 3.208 4.071 1.21e+009 ga Ala6HN-Phe8HB1 7.653 3.219 1.93e+009 ga Phe8HB1-Ala6HN 3.216 7.654 4.30e+008 ga Phe7HA-Phe8HB1 4.147 3.220 1.55e+009 ga Phe8HB1-Phe7HA 3.218 4.147 1.57e+009 ga Phe7HE#-Phe8HB1 7.227 3.218 2.75e+008 ga Phe8HB1-Phe7HE# 3.214 7.227 2.96e+008 ga Phe7HN-Phe8HB1 8.253 3.217 1.78e+009 ga Phe8HB1-Phe7HN 3.216 8.252 2.00e+009 ga Phe7HZ-Phe8HB1 7.188 3.218 1.02e+008 ga Phe8HB1-Phe7HZ 3.219 7.186 1.22e+008 ga Phe8HA-HB1 4.321 3.221 2.88e+009 ga Phe8HB1-HA 3.219 4.321 2.89e+009 ga Phe8HD#-HB1 6.952 3.220 2.11e+009 ga Phe8HB1-HD# 3.221 6.952 1.45e+008 ga Phe8HN-HB1 7.968 3.220 2.42e+009 ga Phe8HB1-HN 3.219 7.968 2.48e+009 ga Phe8HZ-HB1 7.010 3.220 7.74e+008 ga Phe8HB1-HZ 3.219 7.011 1.10e+008 ga Phe8HB1-Asp10HN 3.207 8.178 4.50e+008 ga Phe11HE#-Phe8HB1 7.083 3.217 5.95e+008 ga Phe8HB1-Phe11HE# 3.216 7.081 9.37e+007 ga Ser5HN-Phe8HB2 8.540 3.054 1.02e+008 ga Phe8HB2-Ser5HN 3.052 8.541 8.36e+007 ga Phe8HB2-Ala6HA 3.053 4.082 1.49e+009 ga Ala6HN-Phe8HB2 7.652 3.051 2.63e+008 ga Phe8HB2-Ala6HN 3.054 7.652 2.10e+008 ga Phe7HA-Phe8HB2 4.148 3.052 1.77e+009 ga Phe8HB2-Phe7HA 3.053 4.147 1.29e+009 ga Phe7HE#-Phe8HB2 7.228 3.052 6.11e+007 ga Phe8HB2-Phe7HE# 3.053 7.226 4.52e+007 ga Phe7HN-Phe8HB2 8.250 3.053 1.48e+009 ga Phe8HB2-Phe7HN 3.053 8.249 1.50e+009 ga Phe7HZ-Phe8HB2 7.187 3.051 7.65e+007 ga Phe8HB2-Phe7HZ 3.051 7.185 5.68e+007 ga Phe8HA-HB2 4.321 3.051 2.11e+009 ga Phe8HB2-HA 3.053 4.321 2.23e+009 ga Phe8HB2-HB1 3.053 3.221 4.66e+009 ga Phe8HD#-HB2 6.952 3.052 1.93e+009 ga Phe8HB2-HD# 3.053 6.952 1.27e+008 ga Phe8HN-HB2 7.968 3.052 2.20e+009 ga Phe8HB2-HN 3.053 7.968 2.35e+009 ga Phe8HZ-HB2 7.011 3.053 3.89e+008 ga Phe8HB2-HZ 3.052 7.010 1.22e+008 ga Phe8HB2-Arg9HA 3.054 3.828 3.56e+007 ga Phe8HB2-Asp10HN 3.055 8.178 1.77e+008 ga Phe11HE#-Phe8HB2 7.083 3.054 1.03e+007 ga Phe8HB2-Phe11HE# 3.051 7.082 6.20e+007 ga Phe8HD#-Leu4HB1 6.953 1.801 8.33e+007 ga Phe8HD#-Leu4HD1# 6.952 0.944 2.98e+008 ga Phe8HD#-Leu4HD2# 6.952 0.855 3.50e+008 ga Phe8HD#-Leu4HG 6.951 1.624 1.52e+008 ga Phe8HD#-Ser5HN 6.951 8.541 4.09e+007 ga Phe8HD#-Ala6HB# 6.953 1.454 3.68e+008 ga Phe8HD#-Ala6HN 6.952 7.654 1.54e+008 ga Phe8HD#-Phe7HB# 6.952 3.149 8.54e+008 ga Phe8HD#-Phe7HD# 6.954 7.114 5.82e+007 ga Phe8HD#-Phe7HE# 6.952 7.227 4.26e+008 ga Phe7HN-Phe8HD# 8.251 6.953 5.30e+007 ga Phe8HD#-Phe7HN 6.952 8.249 6.39e+008 ga Phe8HD#-Phe7HZ 6.953 7.185 1.72e+008 ga Phe8HN-HD# 7.969 6.951 5.23e+007 ga Phe8HD#-HN 6.952 7.968 8.10e+008 ga Phe8HZ-HD# 7.011 6.952 8.09e+008 ga Phe8HD#-HZ 6.953 7.012 1.96e+009 ga Phe8HD#-Asp10HN 6.951 8.179 9.62e+007 ga Phe8HD#-Phe11HA 6.952 4.203 1.06e+008 ga Phe8HD#-Phe11HB1 6.951 2.890 1.60e+008 ga Phe8HD#-Phe11HB2 6.950 2.726 3.93e+007 ga Phe8HD#-Phe11HE# 6.951 7.081 1.11e+008 ga Phe8HD#-Ile12HB 6.951 1.933 1.45e+008 ga Phe8HD#-Ile12HD# 6.950 0.763 1.50e+008 ga Phe8HD#-Leu13HA 6.952 4.079 2.09e+008 ga Phe8HD#-Gln14HN 6.783 7.700 7.98e+007 ga Phe8HE#-Phe11HE# 7.016 7.081 2.85e+008 ga Phe8HN-Ser5HB2 7.967 3.932 9.20e+007 ga Ser5HN-Phe8HN 8.541 7.967 2.35e+008 ga Phe8HN-Ser5HN 7.968 8.543 2.24e+008 ga Phe7HN-Phe8HN 8.250 7.969 1.87e+009 ga Phe8HN-Phe7HN 7.968 8.249 1.89e+009 ga Phe8HN-Ile12HN 7.967 7.659 4.10e+009 ga Phe8HZ-Leu4HD1# 7.011 0.944 9.36e+007 ga Phe8HZ-Leu4HG 7.012 1.625 1.33e+008 ga Phe8HZ-Ser5HA 7.009 4.083 1.62e+008 ga Phe8HZ-Phe7HD# 7.008 7.113 4.25e+007 ga Phe8HZ-Phe7HE# 7.011 7.227 4.12e+008 ga Phe7HN-Phe8HZ 8.250 7.009 4.78e+007 ga Phe8HZ-Phe7HN 7.011 8.249 1.46e+008 ga Phe8HZ-Phe7HZ 7.011 7.187 2.52e+008 ga Phe8HZ-HN 7.011 7.971 2.11e+008 ga Phe8HZ-Asp10HN 7.010 8.175 3.95e+007 ga Phe8HZ-Phe11HA 7.011 4.203 1.38e+008 ga Phe8HZ-Phe11HB1 7.012 2.889 1.51e+008 ga Phe8HZ-Ile12HG2# 7.011 0.802 5.92e+007 ga Phe8HZ-Ile12HN 7.010 7.662 6.46e+007 ga Phe7HA-Arg9HA 4.146 3.825 3.20e+008 ga Arg9HA-Phe7HA 3.826 4.145 3.04e+008 ga Phe7HE#-Arg9HA 7.227 3.825 2.84e+008 ga Arg9HA-Phe7HE# 3.825 7.227 2.06e+008 ga Phe7HZ-Arg9HA 7.188 3.826 2.80e+008 ga Arg9HA-Phe7HZ 3.824 7.189 8.65e+007 ga Arg9HE-HA 7.428 3.825 1.30e+008 ga Arg9HA-HE 3.826 7.430 1.40e+008 ga Arg9HA-HG# 3.826 1.528 1.94e+009 ga Arg9HN-HA 8.261 3.826 1.79e+009 ga Arg9HA-HN 3.826 8.262 1.70e+009 ga Asp10HA-Arg9HA 4.349 3.825 3.25e+008 ga Arg9HA-Asp10HA 3.825 4.349 2.94e+008 ga Asp10HN-Arg9HA 8.178 3.825 7.28e+008 ga Arg9HA-Asp10HN 3.825 8.178 7.12e+008 ga Phe11HA-Arg9HA 4.201 3.824 9.21e+007 ga Arg9HA-Phe11HA 3.825 4.201 8.84e+007 ga Arg9HA-Ile12HB 3.825 1.936 4.55e+009 ga Ile12HN-Arg9HA 7.663 3.825 4.34e+008 ga Arg9HA-Ile12HN 3.826 7.664 4.01e+008 ga Leu13HA-Arg9HA 4.073 3.825 9.70e+008 ga Arg9HA-Leu13HA 3.826 4.072 6.94e+008 ga Leu13HN-Arg9HA 7.957 3.825 7.80e+008 ga Arg9HA-Leu13HN 3.825 7.956 7.42e+008 ga Gln14HN-Arg9HA 7.700 3.825 2.14e+008 ga Arg9HA-Gln14HN 3.825 7.701 1.68e+008 ga Arg9HB1-Arg3HE 1.938 7.429 5.27e+008 ga Arg9HB1-HA 1.936 3.825 5.61e+009 ga Arg9HN-HB1 8.261 1.938 4.22e+009 ga Arg9HB1-HN 1.939 8.262 4.95e+009 ga Asp10HA-Arg9HB1 4.349 1.940 9.10e+008 ga Arg9HB1-Asp10HA 1.944 4.349 9.09e+008 ga Arg9HB1-Asp10HN 1.943 8.178 2.61e+009 ga Phe11HA-Arg9HB1 4.203 1.942 5.55e+008 ga Arg9HB1-Phe11HA 1.943 4.202 9.72e+008 ga Arg9HA-HB2 3.826 1.747 1.45e+009 ga Arg9HB2-HA 1.747 3.825 1.79e+009 ga Arg9HD#-HB2 3.206 1.747 4.16e+009 ga Arg9HB2-HD# 1.747 3.206 4.02e+009 ga Arg9HB2-HE 1.749 7.429 6.67e+008 ga Arg9HN-HB2 8.261 1.745 8.36e+008 ga Arg9HB2-HN 1.748 8.262 1.02e+009 ga Asp10HA-Arg9HB2 4.349 1.747 2.01e+008 ga Arg9HB2-Asp10HA 1.751 4.348 2.67e+008 ga Asp10HN-Arg9HB2 8.177 1.746 3.12e+008 ga Arg9HB2-Asp10HN 1.748 8.178 3.70e+008 ga Arg9HB2-Ile12HG2# 1.752 0.801 3.34e+008 ga Arg9HB2-Leu13HD1# 1.747 0.889 9.17e+008 ga Arg9HD#-Ala6HB# 3.213 1.455 1.25e+009 ga Arg9HA-HD# 3.826 3.207 1.07e+009 ga Arg9HD#-HA 3.207 3.825 1.01e+009 ga Arg9HE-HD# 7.430 3.207 1.36e+009 ga Arg9HD#-HE 3.206 7.429 1.80e+009 ga Arg9HE-Ala6HB# 7.427 1.456 2.34e+009 ga Arg9HN-HE 8.260 7.428 1.02e+008 ga Arg9HE-HN 7.431 8.262 9.53e+007 ga Asp10HN-Arg9HE 8.177 7.428 7.71e+007 ga Arg9HE-Asp10HN 7.429 8.177 1.16e+008 ga Arg9HE-Leu13HA 7.429 4.072 2.15e+008 ga Arg9HG#-Phe7HE# 1.521 7.226 2.22e+008 ga Arg9HG#-Phe7HZ 1.514 7.189 4.44e+008 ga Arg9HD#-HG# 3.206 1.525 3.90e+009 ga Arg9HG#-HD# 1.526 3.207 3.78e+009 ga Arg9HG#-HE 1.525 7.428 6.87e+008 ga Arg9HN-HG# 8.261 1.528 7.74e+008 ga Arg9HG#-HN 1.526 8.262 8.62e+008 ga Asp10HN-Arg9HG# 8.178 1.527 4.21e+008 ga Arg9HG#-Asp10HN 1.527 8.178 5.53e+008 ga Arg9HN-Ala6HB# 8.254 1.454 6.14e+008 ga Arg9HN-HN 8.261 8.177 1.51e+009 ga Arg9HE-Asp10HA 7.427 4.349 6.29e+007 ga Asp10HA-Arg9HE 4.350 7.428 1.16e+008 ga Asp10HN-HA 8.178 4.349 1.48e+009 ga Asp10HA-HN 4.349 8.178 2.04e+009 ga Asp10HA-Phe11HE# 4.349 7.080 4.83e+007 ga Phe11HN-Asp10HA 7.974 4.346 1.37e+009 ga Asp10HA-Phe11HN 4.345 7.977 1.80e+009 ga Ile12HN-Asp10HA 7.665 4.348 2.87e+008 ga Asp10HA-Ile12HN 4.349 7.666 3.01e+008 ga Asp10HA-Gln14HA 4.349 4.118 2.14e+008 ga Gln14HE2#-Asp10HA 7.457 4.348 8.69e+007 ga Asp10HA-Gln14HE2# 4.350 7.458 5.65e+007 ga Gln14HN-Asp10HA 7.700 4.349 4.35e+008 ga Asp10HA-Gln14HN 4.349 7.701 4.08e+008 ga Asp10HA-Lys16HN 4.350 8.066 6.91e+007 ga Asp10HB1-Phe7HA 2.600 4.147 4.01e+008 ga Asp10HB1-Phe7HE# 2.596 7.226 1.69e+008 ga Asp10HB1-Phe8HA 2.596 4.322 8.12e+008 ga Asp10HB1-Arg9HA 2.594 3.825 1.99e+008 ga Asp10HB1-Arg9HN 2.596 8.261 6.69e+008 ga Asp10HB1-HA 2.596 4.349 2.21e+009 ga Asp10HB1-HN 2.596 8.178 2.19e+009 ga Asp10HB1-Phe11HA 2.595 4.202 3.34e+008 ga Asp10HB1-Phe11HB1 2.599 2.889 2.03e+008 ga Asp10HB1-Phe11HE# 2.596 7.081 1.83e+008 ga Asp10HB1-Phe11HN 2.596 7.978 1.33e+009 ga Asp10HB1-Ile12HB 2.595 1.935 7.05e+008 ga Asp10HB1-Ile12HN 2.600 7.663 2.57e+008 ga Asp10HB1-Leu13HD1# 2.605 0.889 1.16e+008 ga Asp10HB1-Gln14HN 2.587 7.704 1.61e+008 ga Asp10HB2-Ala6HA 2.391 4.069 1.15e+008 ga Asp10HB2-Ala6HB# 2.385 1.454 2.59e+008 ga Asp10HB2-Phe7HA 2.387 4.149 3.31e+008 ga Asp10HB2-Phe7HE# 2.389 7.227 1.01e+008 ga Asp10HB2-Phe7HZ 2.394 7.194 5.66e+007 ga Asp10HB2-Arg9HA 2.394 3.825 1.06e+008 ga Asp10HB2-Arg9HN 2.390 8.259 2.37e+008 ga Asp10HA-HB2 4.349 2.396 9.95e+008 ga Asp10HB2-HA 2.390 4.349 2.93e+009 ga Asp10HB1-HB2 2.596 2.395 2.23e+009 ga Asp10HB2-HB1 2.389 2.601 2.46e+008 ga Asp10HN-HB2 8.177 2.396 4.71e+008 ga Asp10HB2-HN 2.390 8.178 1.81e+009 ga Asp10HB2-Phe11HA 2.389 4.202 3.12e+008 ga Asp10HB2-Phe11HB1 2.385 2.889 2.53e+008 ga Asp10HB2-Phe11HE# 2.390 7.081 1.12e+008 ga Phe11HN-Asp10HB2 7.979 2.395 2.77e+008 ga Asp10HB2-Phe11HN 2.390 7.979 1.09e+009 ga Asp10HB2-Ile12HB 2.391 1.937 3.11e+008 ga Asp10HB2-Ile12HN 2.391 7.665 1.65e+008 ga Asp10HB2-Leu13HD1# 2.388 0.889 1.40e+008 ga Asp10HB2-Gln14HN 2.387 7.700 1.22e+008 ga Asp10HN-Phe8HA 8.178 4.323 3.76e+008 ga Asp10HN-Arg9HD# 8.179 3.208 4.84e+008 ga Asp10HN-Arg9HN 8.178 8.261 1.52e+009 ga Asp10HN-Gln14HB2 8.178 1.943 2.11e+009 ga Phe7HE#-Phe11HA 7.226 4.202 5.32e+008 ga Phe11HA-Phe7HE# 4.202 7.227 3.14e+008 ga Phe7HZ-Phe11HA 7.189 4.203 7.31e+008 ga Phe11HA-Phe7HZ 4.202 7.194 6.15e+007 ga Phe11HA-Phe8HA 4.203 4.319 3.92e+007 ga Arg9HN-Phe11HA 8.256 4.202 1.01e+008 ga Phe11HA-Arg9HN 4.208 8.257 8.27e+007 ga Asp10HA-Phe11HA 4.349 4.202 3.32e+008 ga Phe11HA-Asp10HA 4.203 4.348 1.65e+008 ga Asp10HN-Phe11HA 8.178 4.203 2.21e+008 ga Phe11HA-Asp10HN 4.203 8.178 2.13e+008 ga Phe11HE#-HA 7.081 4.202 1.83e+009 ga Phe11HA-HE# 4.202 7.081 6.62e+008 ga Phe11HN-HA 7.978 4.203 1.96e+009 ga Phe11HA-HN 4.203 7.979 1.75e+009 ga Ile12HN-Phe11HA 7.665 4.202 8.21e+008 ga Phe11HA-Ile12HN 4.202 7.665 6.86e+008 ga Gln14HE2#-Phe11HA 7.458 4.203 1.61e+008 ga Phe11HA-Gln14HE2# 4.203 7.459 8.95e+007 ga Phe11HA-Gln14HG1 4.204 2.290 5.28e+007 ga Phe11HA-Gln14HG2 4.200 2.269 1.96e+008 ga Gln14HN-Phe11HA 7.700 4.202 3.15e+008 ga Phe11HA-Gln14HN 4.203 7.701 2.66e+008 ga Phe7HA-Phe11HB1 4.146 2.889 7.88e+008 ga Phe11HB1-Phe7HA 2.889 4.146 1.31e+009 ga Phe7HE#-Phe11HB1 7.227 2.889 3.54e+008 ga Phe11HB1-Phe7HE# 2.889 7.227 4.50e+008 ga Phe7HN-Phe11HB1 8.252 2.888 1.63e+008 ga Phe11HB1-Phe7HN 2.888 8.253 2.19e+008 ga Phe11HB1-Phe7HZ 2.889 7.188 9.57e+007 ga Phe11HB1-Phe8HA 2.890 4.321 1.61e+008 ga Phe11HB1-Phe8HE# 2.891 7.013 7.70e+007 ga Arg9HA-Phe11HB1 3.826 2.889 6.13e+007 ga Phe11HB1-Arg9HA 2.887 3.825 1.36e+008 ga Phe11HB1-Asp10HA 2.892 4.349 1.44e+008 ga Asp10HN-Phe11HB1 8.178 2.887 1.80e+008 ga Phe11HB1-Asp10HN 2.890 8.179 2.55e+008 ga Phe11HA-HB1 4.203 2.889 1.60e+009 ga Phe11HB1-HA 2.888 4.202 2.61e+009 ga Phe11HE#-HB1 7.081 2.889 1.28e+009 ga Phe11HB1-HE# 2.889 7.081 7.68e+008 ga Phe11HN-HB1 7.979 2.889 1.51e+009 ga Phe11HB1-HN 2.889 7.979 2.23e+009 ga Ile12HA-Phe11HB1 3.758 2.887 2.06e+008 ga Phe11HB1-Ile12HA 2.888 3.757 2.62e+008 ga Ile12HN-Phe11HB1 7.664 2.889 7.01e+008 ga Phe11HB1-Ile12HN 2.888 7.665 7.87e+008 ga Phe7HA-Phe11HB2 4.147 2.723 1.57e+008 ga Phe11HB2-Phe7HA 2.727 4.146 1.09e+009 ga Phe7HE#-Phe11HB2 7.226 2.720 1.03e+008 ga Phe11HB2-Phe7HE# 2.726 7.227 4.04e+008 ga Phe11HB2-Phe7HZ 2.729 7.190 7.91e+007 ga Phe11HB2-Phe8HA 2.724 4.322 1.22e+008 ga Phe8HZ-Phe11HB2 7.012 2.721 5.98e+007 ga Phe11HB2-Phe8HZ 2.724 7.010 6.64e+007 ga Phe11HB2-Arg9HA 2.729 3.822 1.39e+008 ga Phe11HB2-Arg9HN 2.727 8.259 2.15e+008 ga Phe11HB2-Asp10HA 2.727 4.348 1.68e+008 ga Asp10HN-Phe11HB2 8.178 2.726 6.44e+007 ga Phe11HB2-Asp10HN 2.726 8.178 2.93e+008 ga Phe11HA-HB2 4.202 2.724 6.15e+008 ga Phe11HB2-HA 2.726 4.202 2.98e+009 ga Phe11HB1-HB2 2.889 2.723 1.14e+009 ga Phe11HB2-HB1 2.726 2.889 3.47e+009 ga Phe11HE#-HB2 7.082 2.723 4.28e+008 ga Phe11HB2-HE# 2.726 7.081 7.48e+008 ga Phe11HN-HB2 7.979 2.724 4.95e+008 ga Phe11HB2-HN 2.726 7.979 2.33e+009 ga Phe11HB2-Ile12HA 2.723 3.759 2.48e+008 ga Ile12HN-Phe11HB2 7.664 2.722 1.47e+008 ga Phe11HB2-Ile12HN 2.726 7.665 8.17e+008 ga Phe11HB2-Gln14HN 2.726 7.700 1.06e+008 ga Phe11HB2-Arg15HG# 2.727 1.477 4.46e+008 ga Phe7HE#-Phe11HE# 7.226 7.079 3.43e+009 ga Phe11HE#-Phe7HE# 7.082 7.227 7.05e+009 ga Phe7HN-Phe11HE# 8.248 7.086 1.71e+008 ga Phe11HE#-Phe7HN 7.081 8.250 1.39e+008 ga Asp10HN-Phe11HE# 8.177 7.081 6.01e+007 ga Phe11HE#-Asp10HN 7.082 8.178 1.26e+008 ga Phe11HN-HE# 7.978 7.081 3.26e+008 ga Phe11HE#-HN 7.081 7.978 8.47e+008 ga Ile12HN-Phe11HE# 7.665 7.081 2.45e+008 ga Phe11HE#-Ile12HN 7.082 7.664 4.17e+008 ga Phe11HE#-Leu13HA 7.081 4.077 1.15e+008 ga Phe11HE#-Gln14HN 7.081 7.699 1.41e+008 ga Phe11HE#-Arg15HB2 7.080 1.634 7.35e+007 ga Phe11HE#-Arg15HD1 7.081 3.017 4.20e+008 ga Phe11HE#-Arg15HG2 7.082 1.480 5.89e+008 ga Phe11HN-Phe7HZ 7.975 7.185 1.07e+008 ga Phe11HN-Phe8HZ 7.971 7.011 4.65e+007 ga Asp10HN-Phe11HN 8.178 7.978 1.37e+009 ga Phe11HN-Asp10HN 7.977 8.178 1.48e+009 ga Ile12HA-Phe7HA 3.757 4.148 3.48e+008 ga Phe7HE#-Ile12HA 7.226 3.755 2.25e+008 ga Ile12HA-Phe7HE# 3.758 7.226 1.85e+008 ga Phe7HZ-Ile12HA 7.188 3.758 1.09e+008 ga Ile12HA-Phe7HZ 3.760 7.187 4.87e+007 ga Ile12HA-Arg9HN 3.755 8.262 5.49e+007 ga Ile12HA-Asp10HA 3.759 4.350 7.82e+007 ga Ile12HA-Asp10HN 3.759 8.178 6.37e+007 ga Ile12HA-Phe11HA 3.757 4.202 2.27e+008 ga Phe11HE#-Ile12HA 7.082 3.757 4.51e+008 ga Ile12HA-Phe11HE# 3.758 7.081 1.77e+008 ga Ile12HN-HA 7.665 3.757 1.46e+009 ga Ile12HA-HN 3.758 7.665 1.38e+009 ga Ile12HA-Leu13HA 3.757 4.076 2.41e+008 ga Leu13HN-Ile12HA 7.956 3.757 1.13e+009 ga Ile12HA-Leu13HN 3.758 7.955 1.08e+009 ga Gln14HE2#-Ile12HA 7.461 3.759 7.27e+007 ga Ile12HA-Gln14HE2# 3.760 7.456 5.42e+007 ga Ile12HA-Arg15HB2 3.757 1.631 5.79e+008 ga Ile12HA-Arg15HN 3.758 7.697 5.82e+008 ga Lys16HN-Ile12HA 8.070 3.754 7.96e+007 ga Ile12HA-Lys16HN 3.760 8.067 8.53e+007 ga Phe7HE#-Ile12HB 7.227 1.934 4.74e+008 ga Ile12HB-Phe7HE# 1.934 7.227 5.55e+008 ga Phe7HZ-Ile12HB 7.188 1.936 1.00e+008 ga Ile12HB-Phe7HZ 1.936 7.186 1.62e+008 ga Ile12HB-Phe8HA 1.929 4.319 1.83e+008 ga Phe11HB1-Ile12HB 2.889 1.933 5.13e+008 ga Ile12HB-Phe11HB1 1.936 2.890 2.34e+008 ga Phe11HB2-Ile12HB 2.727 1.936 3.26e+008 ga Ile12HB-Phe11HB2 1.935 2.722 2.49e+007 ga Phe11HE#-Ile12HB 7.082 1.935 2.47e+008 ga Ile12HB-Phe11HE# 1.939 7.081 1.48e+008 ga Ile12HA-HB 3.758 1.935 1.77e+009 ga Ile12HB-HA 1.934 3.757 2.09e+009 ga Ile12HN-HB 7.664 1.934 5.77e+009 ga Ile12HB-HN 1.934 7.664 2.97e+009 ga Leu13HA-Ile12HB 4.072 1.937 1.05e+010 ga Ile12HB-Leu13HA 1.939 4.072 3.67e+009 ga Leu13HN-Ile12HB 7.956 1.934 2.69e+009 ga Ile12HB-Leu13HN 1.934 7.956 3.10e+009 ga Phe7HA-Ile12HD# 4.145 0.763 3.58e+008 ga Ile12HD#-Phe7HA 0.764 4.145 6.97e+008 ga Phe7HD#-Ile12HD# 7.116 0.761 1.32e+008 ga Ile12HD#-Phe7HD# 0.764 7.114 1.15e+008 ga Phe7HE#-Ile12HD# 7.227 0.763 5.96e+008 ga Ile12HD#-Phe7HE# 0.764 7.227 7.58e+008 ga Phe7HZ-Ile12HD# 7.186 0.762 3.07e+008 ga Ile12HD#-Phe7HZ 0.763 7.186 3.46e+008 ga Phe8HZ-Ile12HD# 7.012 0.762 2.88e+008 ga Ile12HD#-Phe8HZ 0.763 7.011 8.76e+007 ga Arg9HA-Ile12HD# 3.824 0.764 4.42e+008 ga Ile12HD#-Arg9HA 0.764 3.825 7.05e+008 ga Ile12HD#-Arg9HD# 0.764 3.207 1.03e+010 ga Ile12HD#-Arg9HN 0.763 8.258 2.33e+008 ga Ile12HD#-Asp10HA 0.762 4.345 1.14e+008 ga Ile12HD#-Asp10HN 0.762 8.179 7.53e+007 ga Phe11HA-Ile12HD# 4.198 0.764 3.39e+008 ga Ile12HD#-Phe11HA 0.764 4.203 2.04e+008 ga Phe11HB1-Ile12HD# 2.890 0.762 2.85e+008 ga Ile12HD#-Phe11HB1 0.763 2.888 2.87e+008 ga Phe11HB2-Ile12HD# 2.731 0.762 2.54e+008 ga Ile12HD#-Phe11HB2 0.764 2.725 7.29e+007 ga Phe11HE#-Ile12HD# 7.082 0.762 4.39e+008 ga Ile12HD#-Phe11HE# 0.764 7.081 2.64e+008 ga Ile12HA-HD# 3.758 0.764 2.03e+009 ga Ile12HD#-HA 0.764 3.757 2.81e+009 ga Ile12HB-HD# 1.933 0.763 2.03e+009 ga Ile12HD#-HB 0.764 1.934 2.28e+009 ga Ile12HN-HD# 7.665 0.763 6.88e+008 ga Ile12HD#-HN 0.764 7.665 9.13e+008 ga Leu13HA-Ile12HD# 4.074 0.765 1.88e+008 ga Ile12HD#-Leu13HA 0.764 4.077 4.73e+008 ga Ile12HD#-Leu13HB2 0.764 1.626 3.90e+008 ga Leu13HN-Ile12HD# 7.956 0.764 4.88e+008 ga Ile12HD#-Leu13HN 0.764 7.956 8.31e+008 ga Ile12HD#-Gln14HN 0.764 7.698 1.84e+008 ga Ile12HD#-Arg15HD1 0.764 3.012 3.08e+008 ga Ile12HD#-Arg15HD2 0.763 2.985 1.57e+007 ga Ile12HD#-Arg15HG2 0.764 1.481 3.65e+009 ga Ile12HG1#-Phe7HD# 1.183 7.114 4.58e+007 ga Ile12HG1#-Phe7HE# 1.183 7.227 3.54e+008 ga Ile12HG1#-Phe7HZ 1.183 7.184 1.59e+008 ga Ile12HG1#-Phe8HZ 1.183 7.011 2.91e+008 ga Ile12HG1#-Arg9HA 1.184 3.825 6.74e+008 ga Ile12HG1#-Arg9HN 1.180 8.258 1.80e+008 ga Ile12HG1#-Asp10HN 1.183 8.179 8.30e+007 ga Ile12HG1#-Phe11HB1 1.183 2.887 3.39e+008 ga Ile12HG1#-Phe11HE# 1.183 7.081 2.32e+008 ga Ile12HG1#-Phe11HN 1.183 7.978 3.25e+008 ga Ile12HG1#-HA 1.183 3.757 2.05e+009 ga Ile12HG1#-HB 1.184 1.934 1.60e+009 ga Ile12HG1#-HD# 1.181 0.762 2.57e+009 ga Ile12HG1#-HG2# 1.183 0.800 2.21e+009 ga Ile12HG1#-HN 1.183 7.664 1.43e+009 ga Ile12HG1#-Leu13HN 1.184 7.955 4.68e+008 ga Phe7HA-Ile12HG2# 4.148 0.799 2.43e+008 ga Ile12HG2#-Phe7HA 0.799 4.145 7.09e+008 ga Phe7HD#-Ile12HG2# 7.116 0.800 1.31e+008 ga Ile12HG2#-Phe7HD# 0.799 7.114 8.79e+007 ga Phe7HE#-Ile12HG2# 7.226 0.800 4.03e+008 ga Ile12HG2#-Phe7HE# 0.800 7.227 5.03e+008 ga Phe7HZ-Ile12HG2# 7.185 0.800 3.10e+008 ga Ile12HG2#-Phe7HZ 0.799 7.185 3.85e+008 ga Arg9HA-Ile12HG2# 3.825 0.800 3.48e+008 ga Ile12HG2#-Arg9HA 0.800 3.825 5.87e+008 ga Arg9HD#-Ile12HG2# 3.210 0.801 8.14e+007 ga Ile12HG2#-Arg9HD# 0.800 3.210 9.72e+007 ga Ile12HG2#-Arg9HE 0.798 7.428 3.88e+007 ga Arg9HN-Ile12HG2# 8.255 0.799 9.25e+007 ga Ile12HG2#-Arg9HN 0.800 8.259 1.25e+008 ga Asp10HA-Ile12HG2# 4.348 0.801 6.23e+007 ga Ile12HG2#-Asp10HA 0.800 4.347 1.08e+008 ga Asp10HN-Ile12HG2# 8.176 0.800 5.04e+007 ga Ile12HG2#-Asp10HN 0.801 8.177 7.25e+007 ga Phe11HA-Ile12HG2# 4.202 0.801 1.65e+008 ga Ile12HG2#-Phe11HA 0.800 4.202 1.83e+008 ga Phe11HB1-Ile12HG2# 2.889 0.799 1.59e+008 ga Ile12HG2#-Phe11HB1 0.799 2.889 1.86e+008 ga Phe11HB2-Ile12HG2# 2.726 0.801 1.71e+008 ga Ile12HG2#-Phe11HB2 0.803 2.720 4.13e+007 ga Phe11HE#-Ile12HG2# 7.082 0.800 2.83e+008 ga Ile12HG2#-Phe11HE# 0.801 7.081 1.87e+008 ga Ile12HA-HG2# 3.758 0.800 2.68e+009 ga Ile12HG2#-HA 0.800 3.757 4.19e+009 ga Ile12HB-HG2# 1.934 0.800 3.91e+009 ga Ile12HG2#-HB 0.800 1.934 5.03e+009 ga Ile12HN-HG2# 7.665 0.800 9.75e+008 ga Ile12HG2#-HN 0.800 7.665 1.34e+009 ga Leu13HA-Ile12HG2# 4.075 0.800 8.53e+008 ga Ile12HG2#-Leu13HA 0.800 4.075 1.05e+009 ga Leu13HB2-Ile12HG2# 1.625 0.800 1.43e+009 ga Ile12HG2#-Leu13HB2 0.800 1.626 9.69e+008 ga Leu13HG-Ile12HG2# 1.533 0.800 6.47e+008 ga Ile12HG2#-Leu13HG 0.801 1.531 5.29e+008 ga Leu13HN-Ile12HG2# 7.955 0.800 1.01e+009 ga Ile12HG2#-Leu13HN 0.800 7.955 1.37e+009 ga Gln14HN-Ile12HG2# 7.700 0.800 2.72e+008 ga Ile12HG2#-Gln14HN 0.800 7.700 4.80e+008 ga Ile12HG2#-Arg15HD1 0.800 3.013 1.12e+008 ga Arg15HD2-Ile12HG2# 2.996 0.802 2.76e+008 ga Ile12HG2#-Arg15HD2 0.799 2.983 7.92e+007 ga Arg15HG2-Ile12HG2# 1.479 0.800 2.18e+009 ga Ile12HG2#-Arg15HG2 0.800 1.480 2.50e+009 ga Lys16HA-Ile12HG2# 4.239 0.803 2.99e+008 ga Ile12HG2#-Lys16HA 0.800 4.238 3.77e+007 ga Lys16HE#-Ile12HG2# 2.925 0.800 1.57e+008 ga Ile12HG2#-Lys16HE# 0.800 2.927 1.57e+008 ga Lys16HN-Ile12HG2# 8.067 0.799 1.11e+008 ga Ile12HG2#-Lys16HN 0.799 8.068 7.79e+007 ga Asp10HN-Ile12HN 8.178 7.664 2.78e+008 ga Ile12HN-Asp10HN 7.664 8.178 2.89e+008 ga Leu13HA-Phe8HB2 4.077 3.052 4.23e+008 ga Asp10HN-Leu13HA 8.178 4.071 4.96e+008 ga Leu13HA-Asp10HN 4.072 8.178 5.24e+008 ga Leu13HN-HA 7.959 4.075 2.93e+009 ga Leu13HA-HN 4.075 7.958 2.96e+009 ga Gln14HN-Leu13HA 7.701 4.075 1.77e+009 ga Leu13HA-Gln14HN 4.075 7.702 1.73e+009 ga Leu13HA-Lys16HE# 4.071 2.927 1.96e+008 ga Lys16HN-Leu13HA 8.068 4.073 2.85e+008 ga Leu13HA-Lys16HN 4.073 8.070 2.86e+008 ga Arg9HA-Leu13HB1 3.825 1.805 6.91e+008 ga Leu13HB1-Arg9HA 1.805 3.825 9.77e+008 ga Arg9HN-Leu13HB1 8.259 1.809 2.26e+008 ga Leu13HB1-Arg9HN 1.799 8.259 2.19e+008 ga Asp10HA-Leu13HB1 4.349 1.805 7.64e+008 ga Leu13HB1-Asp10HA 1.805 4.349 9.02e+008 ga Leu13HB1-Asp10HN 1.807 8.178 1.40e+008 ga Leu13HB1-Ile12HG2# 1.807 0.800 4.93e+008 ga Leu13HB1-Ile12HN 1.802 7.664 6.01e+008 ga Leu13HA-HB1 4.075 1.807 2.80e+009 ga Leu13HB1-HA 1.805 4.075 3.57e+009 ga Leu13HB1-HD2# 1.806 0.836 1.58e+009 ga Leu13HN-HB1 7.955 1.806 1.92e+009 ga Leu13HB1-HN 1.805 7.956 2.59e+009 ga Leu13HB1-Gln14HN 1.798 7.702 1.79e+009 ga Leu13HB2-Phe8HZ 1.624 7.012 3.41e+007 ga Arg9HA-Leu13HB2 3.825 1.628 5.01e+008 ga Leu13HB2-Arg9HA 1.626 3.826 7.32e+008 ga Asp10HA-Leu13HB2 4.349 1.628 5.08e+008 ga Leu13HB2-Asp10HA 1.626 4.349 7.73e+008 ga Asp10HN-Leu13HB2 8.180 1.623 1.37e+008 ga Leu13HB2-Asp10HN 1.626 8.178 1.18e+008 ga Leu13HB2-Phe11HE# 1.623 7.081 3.95e+007 ga Leu13HB2-Ile12HA 1.629 3.757 8.14e+008 ga Leu13HA-HB2 4.075 1.625 5.51e+009 ga Leu13HB2-HA 1.624 4.074 3.29e+009 ga Leu13HN-HB2 7.956 1.627 2.08e+009 ga Leu13HB2-HN 1.627 7.956 2.41e+009 ga Phe7HD#-Leu13HD1# 7.116 0.888 1.15e+008 ga Leu13HD1#-Phe7HD# 0.888 7.113 7.72e+007 ga Phe7HE#-Leu13HD1# 7.227 0.889 2.70e+008 ga Leu13HD1#-Phe7HE# 0.889 7.227 2.92e+008 ga Phe7HZ-Leu13HD1# 7.185 0.889 2.99e+008 ga Leu13HD1#-Phe7HZ 0.889 7.185 2.52e+008 ga Arg9HA-Leu13HD1# 3.826 0.889 7.07e+008 ga Leu13HD1#-Arg9HA 0.889 3.825 1.11e+009 ga Arg9HD#-Leu13HD1# 3.206 0.889 4.33e+008 ga Leu13HD1#-Arg9HD# 0.889 3.206 6.26e+008 ga Arg9HE-Leu13HD1# 7.427 0.888 1.21e+008 ga Leu13HD1#-Arg9HE 0.889 7.429 1.82e+008 ga Arg9HN-Leu13HD1# 8.261 0.888 1.59e+008 ga Leu13HD1#-Arg9HN 0.890 8.261 2.27e+008 ga Asp10HA-Leu13HD1# 4.349 0.889 5.31e+008 ga Leu13HD1#-Asp10HA 0.889 4.349 6.97e+008 ga Asp10HN-Leu13HD1# 8.178 0.888 1.14e+008 ga Leu13HD1#-Asp10HN 0.890 8.177 1.69e+008 ga Leu13HD1#-Phe11HA 0.888 4.203 4.85e+007 ga Ile12HA-Leu13HD1# 3.763 0.887 1.39e+008 ga Leu13HD1#-Ile12HA 0.889 3.759 2.06e+008 ga Ile12HB-Leu13HD1# 1.936 0.889 7.29e+008 ga Leu13HD1#-Ile12HB 0.889 1.935 1.12e+009 ga Ile12HN-Leu13HD1# 7.667 0.889 1.56e+008 ga Leu13HD1#-Ile12HN 0.890 7.665 2.96e+008 ga Leu13HA-HD1# 4.075 0.889 1.16e+009 ga Leu13HD1#-HA 0.890 4.074 1.87e+009 ga Leu13HB1-HD1# 1.805 0.889 2.84e+009 ga Leu13HD1#-HB1 0.889 1.806 2.97e+009 ga Leu13HB2-HD1# 1.627 0.888 4.28e+009 ga Leu13HD1#-HB2 0.890 1.630 5.13e+009 ga Leu13HG-HD1# 1.536 0.889 3.90e+009 ga Leu13HD1#-HG 0.889 1.534 4.70e+009 ga Leu13HN-HD1# 7.955 0.888 8.04e+008 ga Leu13HD1#-HN 0.890 7.955 1.13e+009 ga Leu13HD1#-Gln14HE2# 0.890 7.456 3.31e+007 ga Gln14HN-Leu13HD1# 7.702 0.889 3.03e+008 ga Leu13HD1#-Gln14HN 0.889 7.702 4.76e+008 ga Arg15HD1-Leu13HD1# 3.012 0.889 2.19e+008 ga Leu13HD1#-Arg15HD1 0.888 3.014 1.10e+008 ga Arg15HD2-Leu13HD1# 2.992 0.890 2.48e+007 ga Leu13HD1#-Arg15HD2 0.891 2.982 1.34e+008 ga Lys16HN-Leu13HD1# 8.062 0.892 4.38e+007 ga Leu13HD1#-Lys16HN 0.891 8.066 6.58e+007 ga Phe7HD#-Leu13HD2# 7.113 0.835 1.52e+008 ga Leu13HD2#-Phe7HD# 0.842 7.114 2.12e+008 ga Arg9HA-Leu13HD2# 3.826 0.835 3.13e+008 ga Leu13HD2#-Arg9HA 0.836 3.825 4.48e+008 ga Arg9HE-Leu13HD2# 7.429 0.837 3.06e+007 ga Leu13HD2#-Arg9HE 0.838 7.428 5.11e+007 ga Asp10HA-Leu13HD2# 4.349 0.836 1.51e+008 ga Leu13HD2#-Asp10HA 0.836 4.349 2.20e+008 ga Asp10HN-Leu13HD2# 8.178 0.836 2.65e+007 ga Leu13HD2#-Asp10HN 0.837 8.177 9.56e+007 ga Leu13HD2#-Phe11HA 0.840 4.203 1.53e+008 ga Ile12HA-Leu13HD2# 3.757 0.834 3.37e+008 ga Leu13HD2#-Ile12HA 0.836 3.758 2.89e+008 ga Ile12HB-Leu13HD2# 1.934 0.835 7.82e+008 ga Leu13HD2#-Ile12HB 0.836 1.934 1.00e+009 ga Ile12HN-Leu13HD2# 7.669 0.835 1.84e+008 ga Leu13HD2#-Ile12HN 0.836 7.666 4.01e+008 ga Leu13HA-HD2# 4.075 0.836 4.05e+009 ga Leu13HD2#-HA 0.836 4.075 5.89e+009 ga Leu13HB2-HD2# 1.626 0.835 3.45e+009 ga Leu13HD2#-HB2 0.838 1.629 7.61e+009 ga Leu13HG-HD2# 1.538 0.836 2.71e+009 ga Leu13HD2#-HG 0.836 1.536 3.39e+009 ga Leu13HN-HD2# 7.955 0.835 9.25e+008 ga Leu13HD2#-HN 0.836 7.955 1.34e+009 ga Leu13HD2#-Gln14HE2# 0.836 7.458 5.55e+007 ga Gln14HN-Leu13HD2# 7.701 0.836 3.54e+008 ga Leu13HD2#-Gln14HN 0.836 7.702 5.20e+008 ga Arg15HG2-Leu13HD2# 1.477 0.834 3.38e+008 ga Leu13HD2#-Arg15HG2 0.836 1.479 3.84e+008 ga Lys16HE#-Leu13HD2# 2.926 0.836 1.49e+008 ga Leu13HD2#-Lys16HE# 0.834 2.928 1.30e+008 ga Lys16HN-Leu13HD2# 8.066 0.837 5.14e+007 ga Leu13HD2#-Lys16HN 0.838 8.067 9.07e+007 ga Leu13HG-Arg9HA 1.529 3.825 2.26e+009 ga Asp10HA-Leu13HG 4.349 1.533 9.51e+008 ga Leu13HG-Asp10HA 1.534 4.349 1.04e+009 ga Leu13HA-HG 4.074 1.535 2.49e+009 ga Leu13HG-HA 1.536 4.074 4.16e+009 ga Leu13HN-HG 7.955 1.535 2.01e+009 ga Leu13HG-HN 1.537 7.955 2.17e+009 ga Leu13HG-Gln14HE2# 1.535 7.459 5.95e+008 ga Leu13HG-Gln14HN 1.531 7.700 1.78e+009 ga Leu13HN-Arg9HB2 7.960 1.744 4.19e+008 ga Gln14HA-Leu13HD1# 4.120 0.889 4.54e+009 ga Gln14HA-Leu13HG 4.119 1.529 4.96e+008 ga Gln14HE2#-HA 7.458 4.119 1.48e+008 ga Gln14HA-HE2# 4.119 7.458 1.20e+008 ga Gln14HA-HG1 4.118 2.290 5.50e+008 ga Gln14HA-HG2 4.118 2.273 8.21e+008 ga Gln14HN-HA 7.700 4.118 4.90e+009 ga Gln14HA-HN 4.118 7.701 4.50e+009 ga Lys16HN-Gln14HA 8.069 4.118 2.97e+008 ga Gln14HA-Lys16HN 4.119 8.068 2.06e+008 ga Lys17HN-Gln14HA 7.819 4.118 1.45e+008 ga Gln14HA-Lys17HN 4.121 7.819 9.40e+007 ga Gln14HA-HB1 4.118 2.042 2.48e+009 ga Gln14HB1-HA 2.040 4.118 3.76e+009 ga Gln14HB1-HE2# 2.040 7.458 1.29e+008 ga Gln14HN-HB1 7.701 2.043 1.64e+009 ga Gln14HB1-HN 2.040 7.702 1.94e+009 ga Gln14HB1-Lys16HN 2.036 8.068 6.59e+007 ga Gln14HB2-HA 1.947 4.119 4.56e+009 ga Gln14HB2-HG1 1.948 2.294 9.60e+008 ga Gln14HB2-HG2 1.948 2.277 9.82e+008 ga Gln14HB2-HN 1.946 7.702 2.85e+009 ga Gln14HB2-Lys16HN 1.946 8.069 1.41e+008 ga Gln14HE2#-HG1 7.458 2.288 2.63e+008 ga Gln14HE2#-HG2 7.458 2.273 4.52e+008 ga Gln14HE2#-HN 7.459 7.701 1.17e+008 ga Gln14HG#-Phe11HA 2.272 4.202 5.76e+008 ga Gln14HG#-Ile12HN 2.281 7.656 1.07e+009 ga Gln14HG#-Leu13HB2 2.282 1.625 6.69e+008 ga Gln14HG#-Leu13HN 2.275 7.956 6.61e+008 ga Gln14HG#-HA 2.273 4.118 3.20e+009 ga Gln14HG#-HB2 2.283 1.943 4.44e+009 ga Gln14HG#-HE2# 2.279 7.458 1.05e+009 ga Gln14HG#-HN 2.281 7.703 2.09e+009 ga Lys17HA-Gln14HG# 4.064 2.287 4.78e+008 ga Gln14HG#-Lys17HA 2.283 4.063 1.39e+009 ga Gln14HG2-Ile12HG2# 2.274 0.801 1.45e+008 ga Gln14HG2-Leu13HD1# 2.272 0.888 1.64e+008 ga Gln14HG2-Leu13HD2# 2.273 0.833 2.23e+008 ga Asp10HN-Gln14HN 8.179 7.701 6.06e+007 ga Gln14HN-Asp10HN 7.702 8.178 4.70e+007 ga Gln14HN-Ile12HA 7.696 3.757 5.61e+008 ga Leu13HN-Gln14HN 7.956 7.702 1.90e+009 ga Gln14HN-Leu13HN 7.702 7.955 1.71e+009 ga Gln14HN-HG1 7.702 2.289 4.88e+008 ga Gln14HN-HG2 7.702 2.276 5.96e+008 ga Arg15HE-HA 7.420 4.164 1.59e+008 ga Arg15HA-HE 4.164 7.421 9.90e+007 ga Arg15HA-HG1 4.164 1.513 1.02e+009 ga Arg15HA-HG2 4.162 1.480 7.97e+009 ga Arg15HN-HA 7.691 4.164 2.79e+009 ga Arg15HA-HN 4.164 7.691 2.36e+009 ga Arg15HA-Lys16HA 4.160 4.240 2.35e+008 ga Lys16HN-Arg15HA 8.069 4.164 2.66e+009 ga Arg15HA-Lys16HN 4.164 8.069 2.53e+009 ga Lys17HN-Arg15HA 7.820 4.163 2.78e+008 ga Arg15HA-Lys17HN 4.164 7.820 2.29e+008 ga Ile12HA-Arg15HB1 3.758 1.782 4.71e+008 ga Arg15HB1-Ile12HA 1.779 3.757 6.98e+008 ga Arg15HB1-HA 1.779 4.161 2.06e+009 ga Arg15HD1-HB1 3.012 1.779 1.21e+009 ga Arg15HB1-HD1 1.776 3.013 1.23e+009 ga Arg15HD2-HB1 2.987 1.779 6.97e+008 ga Arg15HB1-HD2 1.776 2.985 7.06e+008 ga Arg15HB1-HN 1.778 7.691 1.17e+009 ga Lys16HA-Arg15HB1 4.240 1.774 2.43e+008 ga Arg15HB1-Lys16HA 1.770 4.240 2.23e+008 ga Arg15HB1-Lys16HN 1.776 8.069 6.47e+008 ga Arg15HD1-HB2 3.011 1.633 8.68e+009 ga Arg15HB2-HD1 1.631 3.013 1.16e+009 ga Arg15HD2-HB2 2.993 1.632 8.43e+009 ga Arg15HB2-HD2 1.632 2.986 0.00e+000 ga Arg15HB2-HE 1.631 7.421 2.04e+008 ga Arg15HN-HB2 7.693 1.631 2.91e+009 ga Arg15HB2-HN 1.632 7.693 3.14e+009 ga Phe7HE#-Arg15HD1 7.226 3.017 9.98e+008 ga Arg15HD1-Phe7HE# 3.011 7.226 7.85e+008 ga Arg15HD1-Phe11HA 3.006 4.200 1.09e+008 ga Ile12HA-Arg15HD1 3.758 3.013 1.87e+008 ga Arg15HD1-Ile12HA 3.009 3.758 3.10e+008 ga Arg15HA-HD1 4.163 3.013 4.28e+008 ga Arg15HD1-HA 3.011 4.164 1.38e+009 ga Arg15HE-HD1 7.420 3.015 2.99e+008 ga Arg15HD1-HE 3.012 7.419 5.12e+008 ga Arg15HN-HD1 7.690 3.011 2.25e+008 ga Arg15HD1-HN 3.011 7.690 6.05e+008 ga Lys16HN-Arg15HD1 8.069 3.014 6.23e+007 ga Arg15HD1-Lys16HN 3.005 8.067 1.83e+008 ga Phe7HE#-Arg15HD2 7.226 2.989 1.58e+006 ga Arg15HD2-Phe7HE# 2.990 7.226 3.72e+007 ga Phe7HZ-Arg15HD2 7.192 2.984 7.71e+007 ga Arg15HD2-Phe7HZ 2.994 7.193 2.44e+008 ga Arg15HD2-Phe11HA 2.983 4.203 1.18e+008 ga Phe11HE#-Arg15HD2 7.082 2.984 5.11e+007 ga Arg15HD2-Phe11HE# 2.981 7.080 1.75e+008 ga Ile12HA-Arg15HD2 3.758 2.987 3.39e+008 ga Arg15HD2-Ile12HA 2.984 3.759 2.89e+008 ga Arg15HA-HD2 4.164 2.986 8.30e+008 ga Arg15HD2-HA 2.987 4.164 3.42e+009 ga Arg15HE-HD2 7.419 2.985 2.77e+008 ga Arg15HD2-HE 2.988 7.420 5.29e+008 ga Arg15HN-HD2 7.691 2.986 1.81e+008 ga Arg15HD2-HN 2.985 7.692 2.57e+008 ga Lys16HN-Arg15HD2 8.071 2.983 1.24e+008 ga Arg15HD2-Lys16HN 2.987 8.069 9.39e+007 ga Arg15HG#-Phe7HD# 1.484 7.112 2.77e+008 ga Arg15HG#-Phe7HE# 1.478 7.226 5.28e+008 ga Arg15HG#-Phe7HZ 1.475 7.188 6.54e+007 ga Arg15HG#-Phe11HA 1.480 4.202 2.97e+008 ga Phe11HB1-Arg15HG# 2.890 1.479 4.68e+008 ga Arg15HG#-Phe11HB1 1.480 2.889 4.88e+008 ga Arg15HG#-Phe11HE# 1.479 7.081 2.74e+008 ga Ile12HA-Arg15HG# 3.758 1.480 1.87e+009 ga Arg15HG#-Ile12HA 1.479 3.757 2.16e+009 ga Arg15HG#-Ile12HD# 1.477 0.763 3.23e+009 ga Arg15HG#-HA 1.483 4.163 4.73e+009 ga Arg15HG#-HE 1.480 7.421 6.65e+008 ga Arg15HG#-HN 1.480 7.689 3.97e+009 ga Arg15HG#-Lys16HA 1.482 4.237 2.36e+008 ga Arg15HG#-Lys16HN 1.482 8.069 1.42e+009 ga Arg15HG#-Lys17HN 1.480 7.820 4.80e+008 ga Arg15HD1-HG1 3.012 1.513 1.85e+009 ga Arg15HG1-HD1 1.514 3.014 1.29e+009 ga Arg15HD2-HG1 2.989 1.515 1.53e+009 ga Arg15HG1-HD2 1.512 2.987 2.34e+009 ga Arg15HD1-HG2 3.009 1.480 8.27e+008 ga Arg15HG2-HD1 1.483 3.012 1.05e+009 ga Arg15HD2-HG2 2.986 1.480 1.80e+009 ga Arg15HG2-HD2 1.482 2.985 1.15e+009 ga Lys16HN-Arg15HN 8.069 7.691 1.04e+009 ga Arg15HN-Lys16HN 7.691 8.069 1.06e+009 ga Lys16HA-Ile12HD# 4.265 0.761 8.59e+008 ga Arg15HN-Lys16HA 7.690 4.238 3.05e+008 ga Lys16HA-Arg15HN 4.239 7.694 1.67e+008 ga Lys16HA-HE# 4.245 2.931 7.39e+007 ga Lys16HN-HA 8.069 4.239 1.35e+009 ga Lys16HA-HN 4.240 8.069 1.53e+009 ga Lys17HN-Lys16HA 7.819 4.239 3.83e+009 ga Lys16HA-Lys17HN 4.239 7.820 3.81e+009 ga Lys16HA-HB1 4.240 1.822 1.95e+009 ga Lys16HB1-HA 1.819 4.239 2.49e+009 ga Lys16HE#-HB1 2.926 1.821 3.36e+008 ga Lys16HB1-HE# 1.819 2.926 1.90e+008 ga Lys16HN-HB1 8.069 1.823 2.00e+009 ga Lys16HB1-HN 1.819 8.069 1.34e+009 ga Lys17HN-Lys16HB1 7.820 1.822 5.09e+008 ga Lys16HB1-Lys17HN 1.820 7.819 5.86e+008 ga Lys16HB2-Ile12HG2# 1.689 0.799 9.98e+007 ga Lys16HB2-Arg15HN 1.690 7.694 8.29e+007 ga Lys16HA-HB2 4.239 1.690 1.88e+009 ga Lys16HB2-HA 1.692 4.239 2.27e+009 ga Lys16HE#-HB2 2.925 1.691 3.13e+009 ga Lys16HB2-HE# 1.691 2.927 1.40e+008 ga Lys16HN-HB2 8.069 1.691 1.37e+009 ga Lys16HB2-HN 1.692 8.069 1.83e+009 ga Lys16HN-HD# 8.068 1.628 7.56e+008 ga Lys16HD#-HN 1.628 8.069 8.89e+008 ga Lys16HE#-Leu13HD1# 2.927 0.892 9.64e+007 ga Lys16HE#-Gln14HN 2.928 7.703 4.75e+009 ga Lys16HE#-HN 2.927 8.069 6.24e+007 ga Lys16HE#-Lys17HA 2.928 4.070 6.29e+008 ga Lys16HE#-Lys17HG# 2.938 1.348 4.45e+008 ga Lys16HG#-Ile12HG2# 1.412 0.800 3.26e+008 ga Lys16HG#-Arg15HA 1.411 4.165 2.15e+008 ga Lys16HA-HG# 4.239 1.406 1.15e+009 ga Lys16HG#-HA 1.406 4.239 1.84e+009 ga Lys16HE#-HG# 2.926 1.408 1.12e+009 ga Lys16HG#-HE# 1.406 2.926 1.93e+009 ga Lys16HN-HG# 8.069 1.404 7.10e+008 ga Lys16HG#-HN 1.409 8.069 6.40e+008 ga Lys16HG#-Lys17HN 1.410 7.819 4.85e+008 ga Lys16HN-Arg15HG1 8.069 1.510 6.10e+008 ga Lys16HN-Arg15HG2 8.068 1.480 6.41e+007 ga Lys17HA-Gln14HE2# 4.069 7.458 5.10e+007 ga Lys16HA-Lys17HA 4.240 4.068 3.25e+008 ga Lys17HA-Lys16HA 4.068 4.240 2.44e+008 ga Lys17HN-HA 7.819 4.067 1.47e+009 ga Lys17HA-HN 4.067 7.818 1.31e+009 ga Lys17HA-HB1 4.067 1.758 1.21e+009 ga Lys17HB1-HA 1.757 4.065 1.97e+009 ga Lys17HN-HB1 7.819 1.759 6.69e+008 ga Lys17HB1-HN 1.756 7.819 8.13e+008 ga Lys17HB2-HA 1.671 4.063 1.60e+009 ga Lys17HN-HB2 7.819 1.663 1.78e+009 ga Lys17HB2-HN 1.662 7.820 1.90e+009 ga Lys16HA-Lys17HD# 4.239 1.622 8.75e+008 ga Lys17HD#-Lys16HA 1.619 4.239 1.17e+009 ga Lys17HD#-HN 1.619 7.819 1.78e+008 ga Lys17HG#-Gln14HA 1.349 4.118 1.22e+008 ga Lys17HG#-Lys16HA 1.350 4.239 2.30e+008 ga Lys17HA-HG# 4.068 1.349 2.41e+009 ga Lys17HG#-HA 1.352 4.066 1.16e+009 ga Lys17HN-HG# 7.819 1.351 1.45e+009 ga Lys17HG#-HN 1.350 7.820 8.15e+008 ga Lys16HN-Lys17HN 8.069 7.819 6.58e+008 ga Lys17HN-Lys16HN 7.819 8.069 7.20e+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 . . 30429 1 2 . . H 1 H . . 10.0 ppm . . . 5.0 . . 30429 1 stop_ save_