data_30416 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30416 _Entry.Title ; CSP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-26 _Entry.Accession_date 2018-02-26 _Entry.Last_release_date 2018-07-17 _Entry.Original_release_date 2018-07-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30416 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. . . . 30416 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CSP . 30416 'SIGNALING PROTEIN' . 30416 pneumococcus . 30416 'quorum sensing' . 30416 'signaling molecule' . 30416 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30416 spectral_peak_list 1 30416 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 32 30416 '15N chemical shifts' 18 30416 '1H chemical shifts' 114 30416 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 2018-02-26 update BMRB 'update entry citation' 30416 1 . . 2018-08-22 2018-02-26 original author 'original release' 30416 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30427 CSP1-E1A 30416 BMRB 30428 CSP1-R3A 30416 BMRB 30429 CSP1-K6A 30416 PDB 6CJ8 . 30416 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30416 _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 Yifang Yang Y. . . . 30416 1 2 Gabriel Cornilescu G. . . . 30416 1 3 Yftah Tal-Gan Y. . . . 30416 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30416 _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 . . . . . . 30416 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30416 _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 ; EMRLSKFFRDFILQRKK ; _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 . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 25-41' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2248.735 _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 30416 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 . 30416 1 2 . MET . 30416 1 3 . ARG . 30416 1 4 . LEU . 30416 1 5 . SER . 30416 1 6 . LYS . 30416 1 7 . PHE . 30416 1 8 . PHE . 30416 1 9 . ARG . 30416 1 10 . ASP . 30416 1 11 . PHE . 30416 1 12 . ILE . 30416 1 13 . LEU . 30416 1 14 . GLN . 30416 1 15 . ARG . 30416 1 16 . LYS . 30416 1 17 . LYS . 30416 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 30416 1 . MET 2 2 30416 1 . ARG 3 3 30416 1 . LEU 4 4 30416 1 . SER 5 5 30416 1 . LYS 6 6 30416 1 . PHE 7 7 30416 1 . PHE 8 8 30416 1 . ARG 9 9 30416 1 . ASP 10 10 30416 1 . PHE 11 11 30416 1 . ILE 12 12 30416 1 . LEU 13 13 30416 1 . GLN 14 14 30416 1 . ARG 15 15 30416 1 . LYS 16 16 30416 1 . LYS 17 17 30416 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 30416 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . 30416 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 30416 _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' . . . . . . . . . . . . . . . . 30416 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30416 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 mM D DPC, 1.9 mM CSP1, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DPC D . . . . . . 250 . . mM . . . . 30416 1 2 CSP1 'natural abundance' . . 1 $entity_1 . . 1.9 . . mM . . . . 30416 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 30416 _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 30416 1 pH 7.4 . pH 30416 1 pressure 1 . atm 30416 1 temperature 298 . K 30416 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30416 _Software.ID 1 _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 . . 30416 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30416 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30416 _Software.ID 2 _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' . . 30416 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30416 2 'structure calculation' 30416 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 30416 _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 30416 _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 . . . 30416 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 30416 _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 . . . . . . . . . . . . . . . . 30416 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30416 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30416 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30416 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30416 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 30416 _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 . . . . . 30416 1 H 1 water protons . . . . ppm 4.771 na direct 1.000000000 . . . . . 30416 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 30416 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 30416 _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' . . . 30416 1 2 '2D 1H-1H TOCSY' . . . 30416 1 3 '2D 1H-1H NOESY' . . . 30416 1 4 '2D 1H-15N HSQC' . . . 30416 1 5 '2D 1H-13C HSQC' . . . 30416 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 4.576 0.01 . . . . . . A 2 MET HA . 30416 1 2 . 1 1 2 2 MET HB2 H 1 2.164 0.01 . . . . . . A 2 MET HB2 . 30416 1 3 . 1 1 2 2 MET HG2 H 1 2.691 0.00 . . . . . . A 2 MET HG2 . 30416 1 4 . 1 1 2 2 MET HG3 H 1 2.654 0.00 . . . . . . A 2 MET HG3 . 30416 1 5 . 1 1 2 2 MET CA C 13 56.042 0.00 . . . . . . A 2 MET CA . 30416 1 6 . 1 1 2 2 MET CB C 13 33.539 0.00 . . . . . . A 2 MET CB . 30416 1 7 . 1 1 3 3 ARG H H 1 8.928 0.01 . . . . . . A 3 ARG H . 30416 1 8 . 1 1 3 3 ARG HA H 1 4.392 0.01 . . . . . . A 3 ARG HA . 30416 1 9 . 1 1 3 3 ARG HB2 H 1 1.932 0.01 . . . . . . A 3 ARG HB2 . 30416 1 10 . 1 1 3 3 ARG HB3 H 1 1.758 0.01 . . . . . . A 3 ARG HB3 . 30416 1 11 . 1 1 3 3 ARG HG2 H 1 1.683 0.01 . . . . . . A 3 ARG HG2 . 30416 1 12 . 1 1 3 3 ARG HD2 H 1 3.277 0.01 . . . . . . A 3 ARG HD2 . 30416 1 13 . 1 1 3 3 ARG HD3 H 1 3.251 0.00 . . . . . . A 3 ARG HD3 . 30416 1 14 . 1 1 3 3 ARG HE H 1 7.561 0.00 . . . . . . A 3 ARG HE . 30416 1 15 . 1 1 3 3 ARG CA C 13 57.315 0.00 . . . . . . A 3 ARG CA . 30416 1 16 . 1 1 3 3 ARG CB C 13 30.578 0.00 . . . . . . A 3 ARG CB . 30416 1 17 . 1 1 3 3 ARG N N 15 124.262 0.00 . . . . . . A 3 ARG N . 30416 1 18 . 1 1 3 3 ARG NE N 15 84.641 0.00 . . . . . . A 3 ARG NE . 30416 1 19 . 1 1 4 4 LEU H H 1 8.856 0.01 . . . . . . A 4 LEU H . 30416 1 20 . 1 1 4 4 LEU HA H 1 4.223 0.01 . . . . . . A 4 LEU HA . 30416 1 21 . 1 1 4 4 LEU HB2 H 1 1.849 0.01 . . . . . . A 4 LEU HB2 . 30416 1 22 . 1 1 4 4 LEU HB3 H 1 1.673 0.01 . . . . . . A 4 LEU HB3 . 30416 1 23 . 1 1 4 4 LEU HD11 H 1 1.001 0.01 . . . . . . A 4 LEU HD11 . 30416 1 24 . 1 1 4 4 LEU HD12 H 1 1.001 0.01 . . . . . . A 4 LEU HD12 . 30416 1 25 . 1 1 4 4 LEU HD13 H 1 1.001 0.01 . . . . . . A 4 LEU HD13 . 30416 1 26 . 1 1 4 4 LEU HD21 H 1 0.913 0.01 . . . . . . A 4 LEU HD21 . 30416 1 27 . 1 1 4 4 LEU HD22 H 1 0.913 0.01 . . . . . . A 4 LEU HD22 . 30416 1 28 . 1 1 4 4 LEU HD23 H 1 0.913 0.01 . . . . . . A 4 LEU HD23 . 30416 1 29 . 1 1 4 4 LEU CA C 13 57.762 0.00 . . . . . . A 4 LEU CA . 30416 1 30 . 1 1 4 4 LEU CB C 13 42.196 0.06 . . . . . . A 4 LEU CB . 30416 1 31 . 1 1 4 4 LEU N N 15 121.408 0.00 . . . . . . A 4 LEU N . 30416 1 32 . 1 1 5 5 SER H H 1 8.436 0.01 . . . . . . A 5 SER H . 30416 1 33 . 1 1 5 5 SER HA H 1 4.160 0.01 . . . . . . A 5 SER HA . 30416 1 34 . 1 1 5 5 SER HB2 H 1 4.031 0.01 . . . . . . A 5 SER HB2 . 30416 1 35 . 1 1 5 5 SER HB3 H 1 4.010 0.00 . . . . . . A 5 SER HB3 . 30416 1 36 . 1 1 5 5 SER CA C 13 62.023 0.00 . . . . . . A 5 SER CA . 30416 1 37 . 1 1 5 5 SER CB C 13 62.546 0.00 . . . . . . A 5 SER CB . 30416 1 38 . 1 1 5 5 SER N N 15 114.201 0.00 . . . . . . A 5 SER N . 30416 1 39 . 1 1 6 6 LYS H H 1 7.716 0.01 . . . . . . A 6 LYS H . 30416 1 40 . 1 1 6 6 LYS HA H 1 4.042 0.01 . . . . . . A 6 LYS HA . 30416 1 41 . 1 1 6 6 LYS HB2 H 1 1.921 0.01 . . . . . . A 6 LYS HB2 . 30416 1 42 . 1 1 6 6 LYS HB3 H 1 1.870 0.01 . . . . . . A 6 LYS HB3 . 30416 1 43 . 1 1 6 6 LYS HG2 H 1 1.434 0.01 . . . . . . A 6 LYS HG2 . 30416 1 44 . 1 1 6 6 LYS HD2 H 1 1.787 0.01 . . . . . . A 6 LYS HD2 . 30416 1 45 . 1 1 6 6 LYS HE2 H 1 3.118 0.01 . . . . . . A 6 LYS HE2 . 30416 1 46 . 1 1 6 6 LYS CA C 13 59.463 0.00 . . . . . . A 6 LYS CA . 30416 1 47 . 1 1 6 6 LYS CB C 13 32.572 0.00 . . . . . . A 6 LYS CB . 30416 1 48 . 1 1 6 6 LYS N N 15 122.358 0.00 . . . . . . A 6 LYS N . 30416 1 49 . 1 1 7 7 PHE H H 1 8.312 0.01 . . . . . . A 7 PHE H . 30416 1 50 . 1 1 7 7 PHE HA H 1 4.211 0.01 . . . . . . A 7 PHE HA . 30416 1 51 . 1 1 7 7 PHE HB2 H 1 3.218 0.01 . . . . . . A 7 PHE HB2 . 30416 1 52 . 1 1 7 7 PHE HD2 H 1 7.174 0.01 . . . . . . A 7 PHE HD2 . 30416 1 53 . 1 1 7 7 PHE HE2 H 1 7.283 0.01 . . . . . . A 7 PHE HE2 . 30416 1 54 . 1 1 7 7 PHE HZ H 1 7.246 0.01 . . . . . . A 7 PHE HZ . 30416 1 55 . 1 1 7 7 PHE CA C 13 61.501 0.00 . . . . . . A 7 PHE CA . 30416 1 56 . 1 1 7 7 PHE CB C 13 39.596 0.00 . . . . . . A 7 PHE CB . 30416 1 57 . 1 1 7 7 PHE N N 15 117.349 0.00 . . . . . . A 7 PHE N . 30416 1 58 . 1 1 8 8 PHE H H 1 7.989 0.01 . . . . . . A 8 PHE H . 30416 1 59 . 1 1 8 8 PHE HA H 1 4.406 0.01 . . . . . . A 8 PHE HA . 30416 1 60 . 1 1 8 8 PHE HB2 H 1 3.259 0.01 . . . . . . A 8 PHE HB2 . 30416 1 61 . 1 1 8 8 PHE HB3 H 1 3.126 0.00 . . . . . . A 8 PHE HB3 . 30416 1 62 . 1 1 8 8 PHE HE2 H 1 7.095 0.01 . . . . . . A 8 PHE HE2 . 30416 1 63 . 1 1 8 8 PHE HZ H 1 7.049 0.01 . . . . . . A 8 PHE HZ . 30416 1 64 . 1 1 8 8 PHE CA C 13 61.071 0.00 . . . . . . A 8 PHE CA . 30416 1 65 . 1 1 8 8 PHE CB C 13 39.180 0.03 . . . . . . A 8 PHE CB . 30416 1 66 . 1 1 8 8 PHE N N 15 118.360 0.00 . . . . . . A 8 PHE N . 30416 1 67 . 1 1 9 9 ARG H H 1 8.352 0.01 . . . . . . A 9 ARG H . 30416 1 68 . 1 1 9 9 ARG HA H 1 3.885 0.01 . . . . . . A 9 ARG HA . 30416 1 69 . 1 1 9 9 ARG HB2 H 1 2.008 0.01 . . . . . . A 9 ARG HB2 . 30416 1 70 . 1 1 9 9 ARG HB3 H 1 1.851 0.01 . . . . . . A 9 ARG HB3 . 30416 1 71 . 1 1 9 9 ARG HG2 H 1 1.648 0.01 . . . . . . A 9 ARG HG2 . 30416 1 72 . 1 1 9 9 ARG HD2 H 1 3.263 0.02 . . . . . . A 9 ARG HD2 . 30416 1 73 . 1 1 9 9 ARG HD3 H 1 3.256 0.00 . . . . . . A 9 ARG HD3 . 30416 1 74 . 1 1 9 9 ARG HE H 1 7.536 0.01 . . . . . . A 9 ARG HE . 30416 1 75 . 1 1 9 9 ARG CA C 13 60.204 0.00 . . . . . . A 9 ARG CA . 30416 1 76 . 1 1 9 9 ARG CB C 13 30.271 0.00 . . . . . . A 9 ARG CB . 30416 1 77 . 1 1 9 9 ARG N N 15 119.231 0.00 . . . . . . A 9 ARG N . 30416 1 78 . 1 1 9 9 ARG NE N 15 84.672 0.00 . . . . . . A 9 ARG NE . 30416 1 79 . 1 1 10 10 ASP H H 1 8.010 0.01 . . . . . . A 10 ASP H . 30416 1 80 . 1 1 10 10 ASP HA H 1 4.270 0.01 . . . . . . A 10 ASP HA . 30416 1 81 . 1 1 10 10 ASP HB2 H 1 2.972 0.01 . . . . . . A 10 ASP HB2 . 30416 1 82 . 1 1 10 10 ASP HB3 H 1 2.804 0.01 . . . . . . A 10 ASP HB3 . 30416 1 83 . 1 1 10 10 ASP CA C 13 60.464 0.00 . . . . . . A 10 ASP CA . 30416 1 84 . 1 1 10 10 ASP CB C 13 39.804 0.01 . . . . . . A 10 ASP CB . 30416 1 85 . 1 1 11 11 PHE H H 1 8.490 0.01 . . . . . . A 11 PHE H . 30416 1 86 . 1 1 11 11 PHE HA H 1 4.353 0.01 . . . . . . A 11 PHE HA . 30416 1 87 . 1 1 11 11 PHE HB2 H 1 2.697 0.00 . . . . . . A 11 PHE HB2 . 30416 1 88 . 1 1 11 11 PHE HB3 H 1 2.404 0.01 . . . . . . A 11 PHE HB3 . 30416 1 89 . 1 1 11 11 PHE HE2 H 1 7.132 0.01 . . . . . . A 11 PHE HE2 . 30416 1 90 . 1 1 11 11 PHE CA C 13 57.036 0.00 . . . . . . A 11 PHE CA . 30416 1 91 . 1 1 11 11 PHE CB C 13 40.202 0.00 . . . . . . A 11 PHE CB . 30416 1 92 . 1 1 11 11 PHE N N 15 117.776 0.00 . . . . . . A 11 PHE N . 30416 1 93 . 1 1 12 12 ILE H H 1 7.756 0.01 . . . . . . A 12 ILE H . 30416 1 94 . 1 1 12 12 ILE HA H 1 3.799 0.01 . . . . . . A 12 ILE HA . 30416 1 95 . 1 1 12 12 ILE HB H 1 1.985 0.01 . . . . . . A 12 ILE HB . 30416 1 96 . 1 1 12 12 ILE HG12 H 1 1.541 0.01 . . . . . . A 12 ILE HG12 . 30416 1 97 . 1 1 12 12 ILE HG13 H 1 1.262 0.00 . . . . . . A 12 ILE HG13 . 30416 1 98 . 1 1 12 12 ILE HG21 H 1 0.858 0.01 . . . . . . A 12 ILE HG21 . 30416 1 99 . 1 1 12 12 ILE HG22 H 1 0.858 0.01 . . . . . . A 12 ILE HG22 . 30416 1 100 . 1 1 12 12 ILE HG23 H 1 0.858 0.01 . . . . . . A 12 ILE HG23 . 30416 1 101 . 1 1 12 12 ILE HD11 H 1 0.820 0.01 . . . . . . A 12 ILE HD11 . 30416 1 102 . 1 1 12 12 ILE HD12 H 1 0.820 0.01 . . . . . . A 12 ILE HD12 . 30416 1 103 . 1 1 12 12 ILE HD13 H 1 0.820 0.01 . . . . . . A 12 ILE HD13 . 30416 1 104 . 1 1 12 12 ILE CA C 13 62.985 0.00 . . . . . . A 12 ILE CA . 30416 1 105 . 1 1 12 12 ILE CB C 13 37.553 0.00 . . . . . . A 12 ILE CB . 30416 1 106 . 1 1 12 12 ILE N N 15 116.820 0.00 . . . . . . A 12 ILE N . 30416 1 107 . 1 1 13 13 LEU H H 1 8.005 0.01 . . . . . . A 13 LEU H . 30416 1 108 . 1 1 13 13 LEU HA H 1 4.133 0.01 . . . . . . A 13 LEU HA . 30416 1 109 . 1 1 13 13 LEU HB2 H 1 1.855 0.01 . . . . . . A 13 LEU HB2 . 30416 1 110 . 1 1 13 13 LEU HB3 H 1 1.688 0.01 . . . . . . A 13 LEU HB3 . 30416 1 111 . 1 1 13 13 LEU HG H 1 1.598 0.01 . . . . . . A 13 LEU HG . 30416 1 112 . 1 1 13 13 LEU HD11 H 1 0.954 0.01 . . . . . . A 13 LEU HD11 . 30416 1 113 . 1 1 13 13 LEU HD12 H 1 0.954 0.01 . . . . . . A 13 LEU HD12 . 30416 1 114 . 1 1 13 13 LEU HD13 H 1 0.954 0.01 . . . . . . A 13 LEU HD13 . 30416 1 115 . 1 1 13 13 LEU HD21 H 1 0.901 0.01 . . . . . . A 13 LEU HD21 . 30416 1 116 . 1 1 13 13 LEU HD22 H 1 0.901 0.01 . . . . . . A 13 LEU HD22 . 30416 1 117 . 1 1 13 13 LEU HD23 H 1 0.901 0.01 . . . . . . A 13 LEU HD23 . 30416 1 118 . 1 1 13 13 LEU CA C 13 56.692 0.00 . . . . . . A 13 LEU CA . 30416 1 119 . 1 1 13 13 LEU CB C 13 41.787 0.00 . . . . . . A 13 LEU CB . 30416 1 120 . 1 1 13 13 LEU N N 15 118.360 0.00 . . . . . . A 13 LEU N . 30416 1 121 . 1 1 14 14 GLN H H 1 7.750 0.01 . . . . . . A 14 GLN H . 30416 1 122 . 1 1 14 14 GLN HA H 1 4.183 0.01 . . . . . . A 14 GLN HA . 30416 1 123 . 1 1 14 14 GLN HB2 H 1 2.104 0.00 . . . . . . A 14 GLN HB2 . 30416 1 124 . 1 1 14 14 GLN HB3 H 1 2.016 0.01 . . . . . . A 14 GLN HB3 . 30416 1 125 . 1 1 14 14 GLN HG2 H 1 2.364 0.01 . . . . . . A 14 GLN HG2 . 30416 1 126 . 1 1 14 14 GLN HG3 H 1 2.328 0.01 . . . . . . A 14 GLN HG3 . 30416 1 127 . 1 1 14 14 GLN HE21 H 1 7.495 0.00 . . . . . . A 14 GLN HE21 . 30416 1 128 . 1 1 14 14 GLN HE22 H 1 7.488 0.01 . . . . . . A 14 GLN HE22 . 30416 1 129 . 1 1 14 14 GLN CA C 13 56.368 0.00 . . . . . . A 14 GLN CA . 30416 1 130 . 1 1 14 14 GLN CB C 13 28.557 0.00 . . . . . . A 14 GLN CB . 30416 1 131 . 1 1 14 14 GLN N N 15 116.640 0.00 . . . . . . A 14 GLN N . 30416 1 132 . 1 1 14 14 GLN NE2 N 15 112.058 0.00 . . . . . . A 14 GLN NE2 . 30416 1 133 . 1 1 15 15 ARG H H 1 7.721 0.01 . . . . . . A 15 ARG H . 30416 1 134 . 1 1 15 15 ARG HA H 1 4.219 0.01 . . . . . . A 15 ARG HA . 30416 1 135 . 1 1 15 15 ARG HB2 H 1 1.839 0.01 . . . . . . A 15 ARG HB2 . 30416 1 136 . 1 1 15 15 ARG HB3 H 1 1.700 0.00 . . . . . . A 15 ARG HB3 . 30416 1 137 . 1 1 15 15 ARG HG2 H 1 1.569 0.01 . . . . . . A 15 ARG HG2 . 30416 1 138 . 1 1 15 15 ARG HG3 H 1 1.536 0.01 . . . . . . A 15 ARG HG3 . 30416 1 139 . 1 1 15 15 ARG HD2 H 1 3.067 0.01 . . . . . . A 15 ARG HD2 . 30416 1 140 . 1 1 15 15 ARG HD3 H 1 3.043 0.01 . . . . . . A 15 ARG HD3 . 30416 1 141 . 1 1 15 15 ARG HE H 1 7.480 0.01 . . . . . . A 15 ARG HE . 30416 1 142 . 1 1 15 15 ARG CA C 13 56.266 0.00 . . . . . . A 15 ARG CA . 30416 1 143 . 1 1 15 15 ARG CB C 13 30.578 0.02 . . . . . . A 15 ARG CB . 30416 1 144 . 1 1 15 15 ARG N N 15 119.563 0.00 . . . . . . A 15 ARG N . 30416 1 145 . 1 1 15 15 ARG NE N 15 84.551 0.00 . . . . . . A 15 ARG NE . 30416 1 146 . 1 1 16 16 LYS H H 1 8.119 0.01 . . . . . . A 16 LYS H . 30416 1 147 . 1 1 16 16 LYS HA H 1 4.295 0.01 . . . . . . A 16 LYS HA . 30416 1 148 . 1 1 16 16 LYS HB2 H 1 1.883 0.01 . . . . . . A 16 LYS HB2 . 30416 1 149 . 1 1 16 16 LYS HB3 H 1 1.753 0.01 . . . . . . A 16 LYS HB3 . 30416 1 150 . 1 1 16 16 LYS HG2 H 1 1.468 0.01 . . . . . . A 16 LYS HG2 . 30416 1 151 . 1 1 16 16 LYS HD2 H 1 1.685 0.01 . . . . . . A 16 LYS HD2 . 30416 1 152 . 1 1 16 16 LYS CA C 13 56.395 0.00 . . . . . . A 16 LYS CA . 30416 1 153 . 1 1 16 16 LYS CB C 13 33.041 0.05 . . . . . . A 16 LYS CB . 30416 1 154 . 1 1 16 16 LYS N N 15 122.108 0.00 . . . . . . A 16 LYS N . 30416 1 155 . 1 1 17 17 LYS H H 1 7.875 0.01 . . . . . . A 17 LYS H . 30416 1 156 . 1 1 17 17 LYS HA H 1 4.125 0.01 . . . . . . A 17 LYS HA . 30416 1 157 . 1 1 17 17 LYS HB2 H 1 1.821 0.00 . . . . . . A 17 LYS HB2 . 30416 1 158 . 1 1 17 17 LYS HB3 H 1 1.724 0.01 . . . . . . A 17 LYS HB3 . 30416 1 159 . 1 1 17 17 LYS HG2 H 1 1.409 0.01 . . . . . . A 17 LYS HG2 . 30416 1 160 . 1 1 17 17 LYS HD2 H 1 1.686 0.00 . . . . . . A 17 LYS HD2 . 30416 1 161 . 1 1 17 17 LYS HE2 H 1 2.995 0.00 . . . . . . A 17 LYS HE2 . 30416 1 162 . 1 1 17 17 LYS CA C 13 55.505 0.00 . . . . . . A 17 LYS CA . 30416 1 163 . 1 1 17 17 LYS CB C 13 33.687 0.00 . . . . . . A 17 LYS CB . 30416 1 164 . 1 1 17 17 LYS N N 15 127.886 0.00 . . . . . . A 17 LYS N . 30416 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 30416 _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 Data Height Note Arg3HN-Met2HA 8.936 4.569 5.07e+008 ga 15448766 Met2HA-Arg3HN 4.585 8.921 4.17e+008 ga 12509826 Leu4HN-Met2HA 8.863 4.569 4.06e+007 ga 1232853 Met2HA-Leu4HN 4.586 8.848 7.37e+007 ga 2088015 Ser5HN-Met2HA 8.446 4.568 5.26e+007 ga 1130509 Met2HA-Ser5HN 4.584 8.432 6.33e+007 ga 1625475 Met2HA-HB1 4.584 2.157 1.46e+009 ga 36363464 Met2HB1-HA 2.171 4.566 7.49e+008 ga 22095320 Arg3HA-Met2HB1 4.400 2.157 1.14e+008 ga 3057662 Met2HB1-Arg3HA 2.172 4.384 1.67e+008 ga 3587968 Arg3HN-Met2HB1 8.936 2.157 3.62e+008 ga 8562936 Met2HB1-Arg3HN 2.171 8.920 1.47e+008 ga 3937462 Leu4HA-Met2HB1 4.233 2.156 4.50e+007 ga 1240840 Met2HB1-Leu4HA 2.169 4.216 8.28e+007 ga 2063225 Leu4HN-Met2HB1 8.863 2.157 2.17e+008 ga 4836578 Met2HB1-Leu4HN 2.173 8.847 1.33e+008 ga 2857189 Ser5HA-Met2HB1 4.170 2.153 8.40e+007 ga 1337973 Met2HB1-Ser5HA 2.171 4.154 9.43e+007 ga 2665188 Ser5HN-Met2HB1 8.447 2.157 1.78e+008 ga 3826893 Met2HB1-Ser5HN 2.171 8.431 2.33e+008 ga 5333424 Met2HB1-Lys6HD# 2.171 1.780 2.91e+008 ga 3354257 Met2HB1-Lys6HN 2.177 7.711 4.15e+008 ga 990996 Met2HG1-HA 2.691 4.569 1.41e+009 ga 5652662 Met2HG1-HB1 2.690 2.156 3.49e+009 ga 24500826 Met2HG1-Ser5HN 2.692 8.430 8.87e+007 ga 1656336 Met2HG2-HA 2.653 4.569 7.84e+008 ga 7926975 Met2HG2-HB1 2.653 2.156 3.47e+009 ga 23735572 Met2HG2-Arg3HN 2.655 8.921 4.98e+007 ga 1053554 Met2HG2-Ser5HN 2.653 8.430 7.90e+007 ga 1341901 Met2HA-Arg3HA 4.584 4.384 2.68e+008 ga 5794081 Arg3HA-Met2HA 4.399 4.569 1.04e+008 ga 2495627 Arg3HN-HA 8.936 4.383 4.45e+008 ga 11905034 Arg3HA-HN 4.398 8.923 1.77e+008 ga 5669573 Leu4HN-Arg3HA 8.863 4.383 1.09e+009 ga 27944542 Arg3HA-Leu4HN 4.399 8.848 6.02e+008 ga 15860613 Ser5HN-Arg3HA 8.445 4.383 2.14e+008 ga 4508986 Arg3HA-Ser5HN 4.400 8.431 2.34e+008 ga 5612774 Lys6HN-Arg3HA 7.725 4.389 7.24e+009 ga 4012460 Arg3HA-Lys6HN 4.402 7.710 6.96e+009 ga 4059572 Met2HA-Arg3HB1 4.584 1.926 2.89e+008 ga 5063575 Arg3HB1-Met2HA 1.940 4.569 1.73e+008 ga 3364583 Met2HB1-Arg3HB1 2.172 1.928 2.78e+008 ga 2635247 Arg3HB1-Met2HB1 1.938 2.156 1.95e+008 ga 3135102 Arg3HA-HB1 4.399 1.925 2.22e+009 ga 33974532 Arg3HB1-HA 1.939 4.383 2.36e+009 ga 39898880 Arg3HD1-HB1 3.285 1.927 2.08e+010 ga 13261942 Arg3HB1-HD1 1.938 3.271 2.38e+010 ga 15866805 Arg3HN-HB1 8.936 1.925 8.56e+008 ga 13609177 Arg3HB1-HN 1.939 8.921 3.13e+008 ga 5999425 Arg3HB1-Leu4HA 1.937 4.216 3.65e+008 ga 5481839 Leu4HN-Arg3HB1 8.863 1.925 7.04e+008 ga 10074488 Arg3HB1-Leu4HN 1.939 8.848 3.35e+008 ga 6566269 Arg3HB1-Ser5HN 1.937 8.431 1.09e+010 ga 5835145 Met2HA-Arg3HB2 4.584 1.748 2.49e+008 ga 2439464 Arg3HB2-Met2HA 1.764 4.571 8.73e+007 ga 1623405 Arg3HA-HB2 4.398 1.751 5.50e+009 ga 11446371 Arg3HB2-HA 1.767 4.384 7.73e+009 ga 13352474 Arg3HB2-HB1 1.766 1.928 2.67e+009 ga 26524144 Arg3HD1-HB2 3.286 1.751 1.47e+010 ga 12608348 Arg3HB2-HD1 1.765 3.271 2.75e+010 ga 14577708 Arg3HN-HB2 8.936 1.753 3.82e+008 ga 5455843 Arg3HB2-HN 1.768 8.921 1.33e+008 ga 2880427 Arg3HD1-HE 3.286 7.561 5.89e+009 ga 2241016 Arg3HD2-HB1 3.251 1.926 2.08e+010 ga 14652722 Arg3HD2-HB2 3.251 1.752 2.32e+010 ga 12307397 Arg3HD2-HE 3.250 7.558 8.45e+009 ga 2056082 Arg3HD2-HG# 3.251 1.675 2.22e+010 ga 14870194 Arg3HG#-Met2HA 1.688 4.569 2.67e+008 ga 2284281 Arg3HA-HG# 4.399 1.675 1.17e+009 ga 14852491 Arg3HG#-HA 1.691 4.383 1.30e+009 ga 18505942 Arg3HB1-HG# 1.938 1.673 2.69e+009 ga 26219640 Arg3HG#-HB1 1.692 1.929 2.74e+009 ga 26455718 Arg3HD1-HG# 3.286 1.676 2.31e+010 ga 15293943 Arg3HG#-HD1 1.692 3.272 1.73e+010 ga 16364992 Arg3HN-HG# 8.936 1.672 3.21e+008 ga 4796416 Arg3HG#-HN 1.691 8.922 1.11e+008 ga 1994663 Arg3HG#-Phe7HZ 1.690 7.239 2.12e+008 ga 2876205 Arg3HN-Ser5HN 8.935 8.429 5.89e+007 ga 1687225 Leu4HN-HA 8.863 4.217 7.07e+008 ga 17754934 Leu4HA-HN 4.232 8.848 3.65e+008 ga 9268240 Ser5HN-Leu4HA 8.446 4.216 4.01e+008 ga 9898026 Leu4HA-Ser5HN 4.232 8.431 4.31e+008 ga 10577873 Phe8HN-Leu4HA 8.003 4.212 6.01e+009 ga 11029149 Leu4HA-Phe8HN 4.229 7.983 1.82e+010 ga 12272508 Leu4HB1-Met2HB1 1.850 2.157 2.16e+008 ga 2583279 Leu4HB1-Arg3HA 1.860 4.384 5.29e+009 ga 7307780 Leu4HB1-Arg3HD1 1.856 3.276 2.06e+010 ga 16236709 Leu4HN-HB1 8.863 1.837 3.55e+009 ga 16055561 Leu4HB1-HN 1.851 8.848 1.73e+008 ga 10588812 Ser5HN-Leu4HB1 8.446 1.839 1.34e+009 ga 7341805 Leu4HB1-Ser5HN 1.853 8.431 1.51e+009 ga 10872000 Leu4HB1-Lys6HE# 1.847 3.108 2.81e+009 ga 1778088 Leu4HB1-Phe7HE# 1.853 7.277 1.93e+008 ga 4776557 Leu4HB1-Phe7HZ 1.851 7.241 1.11e+008 ga 2333284 Leu4HB2-Met2HB1 1.677 2.155 2.75e+009 ga 2906777 Leu4HN-HB2 8.863 1.662 8.73e+008 ga 14764321 Leu4HB2-HN 1.679 8.848 4.72e+008 ga 9633562 Ser5HN-Leu4HB2 8.446 1.661 4.26e+008 ga 7317094 Leu4HB2-Ser5HN 1.678 8.431 5.32e+008 ga 10815228 Lys6HE#-Leu4HB2 3.133 1.660 2.25e+008 ga 1311848 Leu4HB2-Lys6HE# 1.676 3.108 1.35e+008 ga 2071213 Leu4HB2-Phe7HE# 1.685 7.276 2.91e+008 ga 4774131 Met2HB1-Leu4HD1# 2.173 0.992 1.47e+008 ga 4725713 Leu4HD1#-Met2HB1 1.008 2.157 1.42e+008 ga 4152280 Arg3HA-Leu4HD1# 4.398 0.991 1.63e+008 ga 3755893 Leu4HD1#-Arg3HA 1.008 4.386 1.35e+008 ga 3911181 Leu4HD1#-Arg3HB1 1.006 1.929 1.22e+008 ga 3335110 Leu4HA-HD1# 4.232 0.993 7.63e+008 ga 27246344 Leu4HD1#-HA 1.008 4.217 1.07e+009 ga 32801258 Leu4HB1-HD1# 1.851 0.993 1.33e+009 ga 32926586 Leu4HD1#-HB1 1.008 1.837 5.74e+009 ga 31144088 Leu4HB2-HD1# 1.678 0.993 1.17e+009 ga 31853662 Leu4HD1#-HB2 1.008 1.661 1.45e+009 ga 29984812 Leu4HN-HD1# 8.864 0.992 3.12e+008 ga 10625384 Leu4HD1#-HN 1.008 8.848 2.15e+008 ga 6657179 Ser5HA-Leu4HD1# 4.167 0.992 6.67e+007 ga 2254097 Leu4HD1#-Ser5HA 1.007 4.153 1.07e+008 ga 3966961 Ser5HN-Leu4HD1# 8.446 0.992 1.15e+008 ga 4069234 Leu4HD1#-Ser5HN 1.008 8.431 1.91e+008 ga 6117855 Lys6HD#-Leu4HD1# 1.792 0.992 1.67e+009 ga 43436244 Leu4HD1#-Lys6HD# 1.008 1.783 5.38e+009 ga 38130960 Lys6HE#-Leu4HD1# 3.126 0.993 1.29e+008 ga 3284308 Leu4HD1#-Lys6HE# 1.008 3.110 1.70e+008 ga 3715022 Phe7HB#-Leu4HD1# 3.230 0.993 6.33e+008 ga 2574651 Leu4HD1#-Phe7HB# 1.006 3.212 9.32e+008 Phe7HD#-Leu4HD1# 7.184 0.993 7.56e+007 ga 2496704 Leu4HD1#-Phe7HD# 1.007 7.168 5.55e+007 ga 2282807 Leu4HD1#-Phe7HE# 1.008 7.276 1.56e+008 ga 6761679 Phe7HN-Leu4HD1# 8.320 0.993 3.33e+007 ga 1648759 Leu4HD1#-Phe7HN 1.008 8.307 7.75e+007 ga 2618564 Phe7HZ-Leu4HD1# 7.254 0.993 6.53e+008 ga 6588332 Leu4HD1#-Phe7HZ 1.008 7.239 1.76e+008 ga 6610124 Leu4HD1#-Phe8HB1 1.008 3.254 1.18e+009 ga 4422823 Phe8HN-Leu4HD1# 7.997 0.993 5.33e+007 ga 1872426 Leu4HD1#-Phe8HN 1.007 7.982 1.18e+008 ga 2922644 Phe8HZ-Leu4HD1# 7.055 0.992 1.26e+008 ga 5546470 Leu4HD1#-Phe8HZ 1.009 7.041 1.45e+008 ga 935212 Leu4HD1#-Arg9HN 1.009 8.349 2.22e+007 ga 979542 Met2HB1-Leu4HD2# 2.172 0.905 1.81e+008 ga 6145055 Leu4HD2#-Met2HB1 0.919 2.157 1.95e+008 ga 5493828 Leu4HD2#-Arg3HA 0.919 4.387 1.51e+008 ga 3858332 Leu4HD2#-Arg3HB1 0.918 1.920 3.19e+010 ga 3648301 Leu4HA-HD2# 4.232 0.905 1.41e+009 ga 48602200 Leu4HD2#-HA 0.920 4.217 1.86e+009 ga 58508336 Leu4HD2#-HB1 0.914 1.842 3.64e+010 ga 29194888 Leu4HN-HD2# 8.863 0.905 2.65e+008 ga 8977287 Leu4HD2#-HN 0.920 8.849 1.83e+008 ga 6232559 Ser5HN-Leu4HD2# 8.447 0.905 9.75e+007 ga 3638388 Leu4HD2#-Ser5HN 0.919 8.432 1.79e+008 ga 5379842 Lys6HE#-Leu4HD2# 3.124 0.905 1.62e+008 ga 4388297 Leu4HD2#-Lys6HE# 0.920 3.113 2.35e+008 ga 5279316 Lys6HN-Leu4HD2# 7.725 0.901 1.25e+010 ga 1471917 Leu4HD2#-Lys6HN 0.913 7.713 1.58e+010 ga 2242798 Leu4HD2#-Phe7HB# 0.917 3.210 9.05e+009 ga 5582070 Leu4HD2#-Phe7HD# 0.913 7.166 1.02e+008 ga 3098298 Leu4HD2#-Phe7HE# 0.915 7.276 2.65e+008 ga 7773869 Phe7HN-Leu4HD2# 8.323 0.904 3.22e+007 ga 1510753 Leu4HD2#-Phe7HN 0.919 8.307 8.03e+007 ga 2709903 Leu4HD2#-Phe7HZ 0.914 7.240 3.06e+008 ga 8573473 Leu4HD2#-Phe8HE# 0.920 7.089 3.80e+007 ga 1552039 Leu4HD2#-Phe8HZ 0.920 7.039 3.71e+007 ga 1122082 Leu4HN-Arg3HD1 8.864 3.263 7.61e+008 ga 1802180 Leu4HN-Lys6HN 8.862 7.707 9.25e+007 ga 2046347 Leu4HN-Phe8HN 8.863 7.981 5.03e+007 ga 1439747 Leu4HN-Ser5HA 8.863 4.153 9.50e+007 ga 3255199 Ser5HA-Leu4HN 4.168 8.847 4.11e+007 ga 1339041 Ser5HN-HA 8.446 4.153 8.09e+008 ga 25285040 Ser5HA-HN 4.166 8.431 7.09e+008 ga 21144352 Ser5HA-Phe7HN 4.168 8.306 6.51e+009 ga 7353506 Phe7HZ-Ser5HA 7.255 4.155 7.80e+007 ga 2726413 Ser5HA-Phe7HZ 4.168 7.242 5.66e+007 ga 1611914 Arg9HN-Ser5HA 8.362 4.153 1.48e+010 ga 5541549 Ser5HA-Arg9HN 4.168 8.347 1.27e+010 ga 4998903 Ser5HB1-HA 4.033 4.153 2.93e+009 ga 55420020 Ser5HB1-HN 4.029 8.431 1.43e+009 ga 17433418 Ser5HB1-Phe7HE# 4.023 7.277 3.12e+008 ga 1793123 Leu4HN-Ser5HN 8.863 8.431 5.16e+008 ga 12987660 Ser5HN-Leu4HN 8.445 8.849 2.24e+008 ga 6006935 Lys6HN-HA 7.725 4.034 1.22e+009 ga 19134706 Lys6HA-HN 4.048 7.711 1.10e+009 ga 18046398 Lys6HA-Phe7HE# 4.043 7.278 2.51e+008 ga 1835709 Lys6HA-Phe7HN 4.048 8.306 2.13e+009 ga 4034831 Phe8HN-Lys6HA 7.998 4.035 4.26e+008 ga 8174217 Lys6HA-Phe8HN 4.049 7.982 4.08e+008 ga 9443748 Arg9HE-Lys6HA 7.550 4.035 5.87e+007 ga 1130984 Lys6HA-Arg9HE 4.048 7.531 6.09e+007 ga 1320902 Arg9HN-Lys6HA 8.361 4.034 5.09e+008 ga 8783611 Lys6HA-Arg9HN 4.050 8.347 4.36e+008 ga 9694931 Lys6HA-Phe11HN 4.050 8.485 2.61e+008 ga 5855977 Ser5HA-Lys6HB1 4.167 1.908 1.07e+008 ga 1954329 Lys6HB1-Ser5HA 1.933 4.153 1.92e+008 ga 3714200 Lys6HA-HB1 4.050 1.912 4.57e+009 ga 16357566 Lys6HB1-HA 1.927 4.036 5.68e+009 ga 22015204 Lys6HE#-HB1 3.125 1.913 1.55e+008 ga 1741477 Lys6HB1-HE# 1.921 3.111 2.29e+008 ga 1656677 Lys6HN-HB1 7.726 1.914 1.35e+010 ga 12904235 Lys6HB1-HN 1.928 7.711 1.32e+010 ga 17067620 Phe7HN-Lys6HB1 8.319 1.911 5.48e+007 ga 1402088 Lys6HB1-Phe7HN 1.928 8.307 1.20e+008 ga 2220178 Phe8HN-Lys6HB1 7.997 1.916 7.61e+009 ga 7551607 Lys6HB1-Phe8HN 1.927 7.982 6.36e+009 ga 12826573 Lys6HB1-Arg9HD1 1.938 3.236 2.44e+010 ga 16642520 Arg9HN-Lys6HB1 8.357 1.915 8.93e+008 ga 1229674 Lys6HB1-Arg9HN 1.924 8.346 5.34e+009 ga 2059302 Lys6HB1-Phe11HN 1.930 8.486 6.52e+007 ga 1592724 Lys6HA-HB2 4.050 1.859 4.62e+009 ga 20135976 Lys6HB2-HA 1.875 4.036 6.46e+009 ga 27570626 Lys6HB2-HN 1.875 7.711 1.17e+010 ga 18584994 Leu4HA-Lys6HD# 4.232 1.780 6.46e+009 ga 12322792 Lys6HD#-Leu4HA 1.793 4.216 3.24e+010 ga 14607845 Lys6HD#-Leu4HD2# 1.792 0.904 1.50e+009 ga 34213920 Leu4HN-Lys6HD# 8.863 1.779 3.85e+009 ga 14743734 Lys6HD#-Leu4HN 1.793 8.848 1.91e+009 ga 9187756 Lys6HD#-Ser5HA 1.793 4.154 1.48e+008 ga 3134542 Ser5HN-Lys6HD# 8.446 1.777 1.80e+009 ga 3569311 Lys6HD#-Ser5HN 1.792 8.430 2.07e+009 ga 4560649 Lys6HD#-HA 1.792 4.031 3.18e+010 ga 1590932 Phe7HE#-Lys6HD# 7.291 1.779 3.48e+007 ga 1475250 Lys6HD#-Phe7HE# 1.791 7.277 5.63e+007 ga 1866314 Lys6HD#-Phe7HN 1.795 8.309 5.81e+007 ga 1044595 Phe7HZ-Lys6HD# 7.253 1.779 5.84e+007 ga 1198157 Lys6HD#-Phe7HZ 1.793 7.240 5.34e+007 ga 1024480 Lys6HG#-Ser5HN 1.436 8.427 7.99e+007 ga 1068731 Lys6HA-HG# 4.050 1.431 1.24e+009 ga 13593562 Lys6HG#-HA 1.444 4.036 1.70e+009 ga 20200468 Lys6HN-HG# 7.727 1.429 4.64e+008 Lys6HG#-HN 1.447 7.711 6.40e+008 ga 6109330 Lys6HG#-Phe7HN 1.430 8.304 2.28e+007 ga 993196 Phe8HA-Lys6HG# 4.408 1.424 2.80e+008 ga 2366702 Lys6HG#-Phe8HA 1.432 4.397 4.34e+008 ga 3655461 Phe8HN-Lys6HG# 7.998 1.431 2.76e+008 ga 2695007 Lys6HG#-Phe8HN 1.439 7.982 3.82e+008 ga 5208203 Lys6HG#-Arg9HN 1.429 8.346 4.67e+008 ga 1055375 Lys6HG#-Phe11HN 1.435 8.484 7.70e+008 Ser5HN-Lys6HN 8.446 7.710 4.55e+008 ga 10228864 Lys6HN-Ser5HN 7.725 8.431 4.67e+008 ga 11611169 Phe7HN-Lys6HN 8.321 7.714 1.27e+008 ga 1574035 Lys6HN-Phe7HN 7.724 8.306 8.59e+007 ga 2211068 Phe8HN-Lys6HN 7.999 7.712 8.06e+009 ga 11177724 Lys6HN-Phe8HN 7.726 7.983 9.99e+009 ga 13154473 Lys6HN-Arg9HN 7.725 8.347 3.71e+007 ga 1142359 Phe7HA-HE# 4.216 7.277 6.88e+008 ga 22596566 Phe7HN-HA 8.322 4.201 1.08e+009 ga 17602902 Phe7HA-HN 4.218 8.307 8.75e+008 ga 17072264 Phe7HA-HZ 4.217 7.241 1.62e+008 ga 4903363 Phe7HA-Phe8HE# 4.227 7.088 7.74e+007 ga 1338559 Phe7HA-Phe8HZ 4.228 7.040 8.29e+007 ga 1605947 Arg9HN-Phe7HA 8.361 4.201 8931595 Phe7HA-Arg9HN 4.216 8.346 6.57e+009 ga 8499706 Asp10HN-Phe7HA 8.015 4.202 4.66e+009 ga 12530274 Phe7HA-Asp10HN 4.217 8.002 1.79e+010 ga 12305734 Phe7HA-Phe11HE# 4.216 7.125 8.53e+007 ga 2811554 Phe11HN-Phe7HA 8.499 4.202 1.74e+008 ga 3526781 Phe7HA-Phe11HN 4.217 8.485 1.52e+008 ga 3621625 Ser5HA-Phe7HB# 4.167 3.208 8.95e+008 ga 21743830 Phe7HB#-Ser5HA 3.223 4.153 3.78e+008 ga 25520712 Phe7HB#-Ser5HN 3.224 8.432 4.37e+008 ga 2395908 Phe7HB#-Lys6HN 3.229 7.713 9.63e+008 ga 1280034 Phe7HA-HB# 4.216 3.209 2.01e+009 ga 40793576 Phe7HB#-HA 3.223 4.200 2.28e+009 ga 44363548 Phe7HB#-HE# 3.223 7.276 9.92e+008 ga 29355190 Phe7HN-HB# 8.321 3.209 3.39e+009 ga 36488144 Phe7HB#-HN 3.223 8.307 3.47e+009 ga 39223064 Phe7HB#-HZ 3.223 7.240 1.70e+008 ga 5762304 Phe8HN-Phe7HB# 8.000 3.211 3.89e+009 ga 6403006 Phe7HB#-Phe8HN 3.226 7.984 3.47e+009 ga 6856096 Arg9HA-Phe7HB# 3.894 3.207 1.84e+009 ga 6220097 Phe7HB#-Arg9HA 3.226 3.878 1.72e+009 ga 6723461 Arg9HN-Phe7HB# 8.361 3.208 4.76e+009 ga 23605918 Phe7HB#-Arg9HN 3.223 8.347 5.21e+009 ga 25074062 Phe7HB#-Phe11HA 3.231 4.346 2.18e+007 ga 1062956 Phe11HN-Phe7HB# 8.499 3.206 1.56e+008 ga 3885570 Phe7HB#-Phe11HN 3.224 8.484 6.65e+008 ga 4050058 Phe7HB#-Ile12HN 3.225 7.751 8.42e+007 ga 2142742 Phe7HE#-Ser5HA 7.291 4.153 3.13e+008 ga 10223680 Phe7HE#-Ser5HN 7.294 8.433 7.54e+007 ga 1346892 Phe7HN-HE# 8.321 7.276 5.72e+008 ga 7536407 Phe7HE#-HN 7.291 8.306 6.96e+008 ga 9171146 Arg9HN-Phe7HE# 8.361 7.277 1.09e+009 ga 4476485 Phe7HE#-Arg9HN 7.291 8.346 1.47e+009 ga 5405180 Asp10HN-Phe7HE# 8.016 7.276 1.74e+008 ga 4467165 Phe7HE#-Asp10HN 7.293 8.002 2.54e+008 ga 4957603 Phe7HE#-Phe11HN 7.293 8.484 3.68e+007 ga 1670245 Ile12HN-Phe7HE# 7.763 7.278 1.00e+008 ga 2830100 Phe7HE#-Ile12HN 7.292 7.750 1.33e+008 ga 3511067 Ser5HN-Phe7HN 8.444 8.307 7.83e+007 ga 2117604 Phe7HN-Ser5HN 8.323 8.432 8.84e+007 ga 2054028 Arg9HN-Phe7HN 8.361 8.307 3.25e+010 ga 16234466 Phe7HN-Arg9HN 8.323 8.346 3.11e+010 ga 16952634 Phe11HN-Phe7HN 8.500 8.307 1.31e+008 ga 3001248 Phe7HN-Phe11HN 8.324 8.485 1.74e+008 ga 3591695 Phe7HN-HZ 8.323 7.241 4.17e+007 ga 1744427 Phe7HZ-HN 7.255 8.307 4.91e+007 ga 1626961 Phe7HZ-Arg9HN 7.256 8.345 5.02e+007 ga 985304 Phe7HZ-Ile12HN 7.254 7.748 5.37e+007 ga 1141951 Phe7HZ-Leu13HN 7.256 8.000 4.60e+007 ga 1465791 Phe7HE#-Phe8HA 7.292 4.398 1.51e+008 ga 3597905 Phe8HA-Phe7HE# 4.413 7.277 1.02e+008 ga 2676131 Phe8HA-Phe7HN 4.413 8.306 3.20e+008 ga 8052446 Phe8HE#-HA 7.102 4.398 1.92e+008 ga 5539204 Phe8HA-HE# 4.415 7.089 5.79e+007 ga 1866311 Phe8HA-HN 4.413 7.982 9.32e+008 ga 21320160 Phe8HZ-HA 7.055 4.399 7.46e+008 ga 22861160 Phe8HA-HZ 4.413 7.040 9.42e+007 ga 3440012 Arg9HN-Phe8HA 8.361 4.399 1.29e+009 ga 2408951 Phe8HA-Arg9HN 4.413 8.347 1.49e+009 ga 2658178 Phe11HE#-Phe8HA 7.141 4.399 1.92e+008 ga 5876090 Phe8HA-Phe11HE# 4.412 7.125 7.05e+007 ga 2434677 Phe11HN-Phe8HA 8.499 4.399 3.04e+009 ga 5158262 Phe8HA-Phe11HN 4.414 8.484 2.82e+009 ga 6259151 Leu4HA-Phe8HB1 4.230 3.252 1.65e+010 ga 13045260 Phe8HB1-Leu4HA 3.265 4.215 1.76e+010 ga 12336252 Phe8HB1-Leu4HD2# 3.263 0.905 4.82e+008 ga 5186263 Phe8HB1-Ser5HA 3.260 4.152 2.36e+010 ga 3729891 Phe8HB1-Ser5HN 3.261 8.431 8.75e+008 ga 1670020 Phe8HB1-Lys6HN 3.262 7.710 2.35e+008 ga 2657979 Phe7HN-Phe8HB1 8.322 3.251 1.11e+010 ga 10063561 Phe8HB1-Phe7HN 3.264 8.307 1.10e+010 ga 11510046 Phe8HB1-Phe7HZ 3.264 7.238 5.34e+007 ga 1117231 Phe8HA-HB1 4.413 3.252 1.76e+009 ga 26310732 Phe8HB1-HA 3.266 4.398 1.64e+009 ga 25010624 Phe8HB1-HE# 3.267 7.088 5.84e+007 ga 1808794 Phe8HN-HB1 7.997 3.252 1.21e+009 ga 20222926 Phe8HB1-HN 3.266 7.982 1.22e+009 ga 22664766 Phe8HB1-HZ 3.265 7.041 1.06e+008 ga 2867239 Phe8HB1-Arg9HA 3.256 3.879 9.48e+008 ga 6207075 Phe8HB1-Phe11HA 3.269 4.347 6.68e+009 ga 1701915 Phe8HB1-Phe11HN 3.256 8.485 5.33e+008 ga 3096379 Phe8HB2-Leu4HA 3.127 4.215 2.56e+010 ga 12342195 Phe8HB2-Ser5HA 3.123 4.155 1.51e+008 ga 2132168 Phe8HB2-Ser5HN 3.124 8.432 2.49e+007 ga 1007006 Phe8HB2-Lys6HA 3.123 4.038 9.37e+007 ga 1915727 Phe8HB2-Phe7HE# 3.126 7.277 1.13e+009 ga 2493460 Phe8HB2-Phe7HN 3.126 8.307 5.63e+008 ga 10340164 Phe8HB2-HA 3.126 4.399 9.84e+008 ga 18117262 Phe8HB2-HB1 3.129 3.253 1.97e+009 ga 34960068 Phe8HB2-HE# 3.131 7.089 8.26e+007 ga 1743756 Phe8HB2-HN 3.126 7.982 9.51e+008 ga 19264066 Phe8HB2-HZ 3.128 7.040 1.13e+008 ga 2711202 Phe8HB2-Arg9HN 3.126 8.345 1.23e+008 ga 2054997 Phe8HB2-Phe11HN 3.124 8.485 8.93e+007 ga 947288 Phe8HB2-Arg15HN 3.127 7.713 1.12e+008 ga 1609854 Phe8HE#-Leu4HD1# 7.101 0.991 7.10e+007 ga 2263252 Phe8HE#-Phe7HN 7.101 8.307 5.83e+007 ga 1667172 Phe8HE#-HN 7.101 7.983 2.05e+008 ga 2251769 Phe8HE#-Asp10HA 7.103 4.263 4.76e+007 ga 1993578 Phe8HE#-Ile12HG2# 7.104 0.851 4.83e+007 ga 1131147 Ser5HN-Phe8HN 8.447 7.982 1.10e+008 ga 3319462 Phe8HN-Ser5HN 7.998 8.432 1.01e+008 ga 2774385 Phe7HN-Phe8HN 8.321 7.983 5.86e+008 ga 13768625 Phe8HN-Phe7HN 7.997 8.306 5.51e+008 ga 12805078 Arg9HN-Phe8HN 8.361 7.983 2.89e+009 ga 3663034 Phe8HN-Arg9HN 8.011 8.347 4.01e+009 ga 4583979 Phe8HZ-Phe7HN 7.055 8.307 2.54e+008 ga 7914467 Phe8HZ-HN 7.055 7.982 3.56e+008 ga 10694178 Phe8HZ-Arg9HN 7.055 8.347 1.58e+009 ga 1641409 Phe8HZ-Asp10HA 7.054 4.262 7.21e+007 ga 1400487 Phe8HZ-Phe11HN 7.055 8.483 3.85e+007 ga 1494588 Phe8HZ-Ile12HD# 7.061 0.814 6.88e+007 ga 2256387 Lys6HA-Arg9HA 4.049 3.879 2.50e+008 ga 5596862 Arg9HA-Lys6HA 3.896 4.035 2.27e+008 ga 4977151 Phe7HA-Arg9HA 4.217 3.879 9.73e+008 ga 3053247 Arg9HA-Phe7HA 3.895 4.200 9.34e+008 ga 3286117 Phe7HE#-Arg9HA 7.291 3.879 1.57e+008 ga 4582149 Arg9HA-Phe7HE# 3.893 7.276 1.27e+008 ga 4039358 Phe7HN-Arg9HA 8.324 3.878 2.53e+009 ga 3361168 Arg9HA-Phe7HN 3.894 8.307 2.64e+009 ga 3269341 Phe7HZ-Arg9HA 7.255 3.878 7.49e+007 ga 1730423 Arg9HA-Phe7HZ 3.891 7.239 4.23e+007 ga 1105839 Arg9HE-HA 7.545 3.881 4.35e+007 ga 1217548 Arg9HA-HE 3.891 7.531 4.91e+008 ga 1135623 Arg9HN-HA 8.362 3.879 7.16e+008 ga 19066212 Arg9HA-HN 3.894 8.347 6.93e+008 ga 20005708 Phe11HA-Arg9HA 4.363 3.879 1.18e+008 ga 3536593 Arg9HA-Phe11HA 3.893 4.348 1.31e+008 ga 3898503 Phe11HN-Arg9HA 8.499 3.879 3.27e+008 ga 8562529 Arg9HA-Phe11HN 3.893 8.484 3.07e+008 ga 8816601 Ile12HN-Arg9HA 7.763 3.879 2.80e+008 ga 6526008 Arg9HA-Ile12HN 3.893 7.750 2.60e+008 ga 5745880 Leu13HN-Arg9HA 8.015 3.879 3.67e+008 ga 8805638 Arg9HA-Leu13HN 3.894 8.000 3.22e+008 ga 8423128 Arg9HB1-Ser5HN 2.014 8.428 1.82e+008 ga 1270437 Lys6HA-Arg9HB1 4.050 2.001 1.04e+009 ga 14850648 Arg9HB1-Lys6HA 2.016 4.036 1.19e+009 ga 18747666 Phe7HN-Arg9HB1 8.323 1.999 5.04e+009 ga 3559201 Arg9HB1-Phe7HN 2.015 8.308 5.88e+009 ga 5144006 Arg9HA-HB1 3.893 2.001 2.10e+009 ga 29323372 Arg9HB1-HA 2.014 3.878 2.53e+009 ga 39570280 Arg9HD1-HB1 3.290 2.001 1.45e+010 ga 11014212 Arg9HB1-HD1 2.017 3.241 1.18e+010 ga 14236107 Arg9HE-HB1 7.545 2.003 1.67e+008 ga 1893237 Arg9HB1-HE 2.014 7.531 1.77e+008 ga 3354074 Arg9HN-HB1 8.362 2.002 1.51e+009 ga 22419888 Arg9HB1-HN 2.016 8.347 1.81e+009 ga 32906536 Phe11HA-Arg9HB1 4.364 2.002 2.95e+008 ga 5079224 Arg9HB1-Phe11HA 2.019 4.349 4.37e+008 ga 6709912 Phe11HN-Arg9HB1 8.499 2.001 8.42e+008 ga 12613111 Arg9HB1-Phe11HN 2.015 8.485 1.08e+009 ga 19773466 Arg9HB2-Phe7HN 1.860 8.307 2.21e+008 ga 3015975 Arg9HA-HB2 3.893 1.843 9.74e+008 ga 16383489 Arg9HB2-HA 1.858 3.878 1.30e+009 ga 23845452 Arg9HB1-HB2 2.015 1.840 2.20e+009 ga 21300744 Arg9HB2-HB1 1.857 2.002 2.40e+009 ga 23351062 Arg9HD1-HB2 3.289 1.841 2.30e+010 ga 12456801 Arg9HB2-HD1 1.855 3.240 3.31e+009 ga 18491228 Arg9HB2-HE 1.857 7.532 1.71e+008 ga 3296547 Arg9HN-HB2 8.362 1.840 4.87e+008 ga 7207438 Arg9HB2-HN 1.857 8.347 5.96e+008 ga 10949511 Arg9HB2-Phe11HA 1.860 4.348 2.22e+010 ga 10518813 Phe11HN-Arg9HB2 8.499 1.843 2.29e+008 ga 3459229 Arg9HB2-Phe11HN 1.859 8.485 3.35e+008 ga 5842609 Arg9HE-HD1 7.547 3.240 1.51e+009 ga 4965066 Arg9HD1-HE 3.291 7.530 1.64e+009 ga 5991410 Arg9HD2-HB1 3.256 2.002 9.88e+009 ga 11947719 Arg9HD2-HB2 3.256 1.842 3.33e+009 ga 15047607 Arg9HD2-HE 3.256 7.531 1.27e+009 ga 7282743 Arg9HD2-HG# 3.256 1.639 1.14e+010 ga 13449598 Arg9HD2-Leu13HD1# 3.255 0.946 4.30e+008 ga 4182225 Arg9HG#-Lys6HA 1.658 4.035 6.60e+008 ga 10003133 Arg9HG#-Phe7HN 1.671 8.307 7.10e+009 ga 2193298 Arg9HA-HG# 3.893 1.634 1.15e+009 ga 10092449 Arg9HG#-HA 1.652 3.878 1.61e+009 ga 15433027 Arg9HB1-HG# 2.014 1.637 1.48e+009 ga 14338229 Arg9HG#-HB1 1.653 2.002 1.62e+009 ga 17424166 Arg9HD1-HG# 3.290 1.637 1.49e+010 ga 12388103 Arg9HG#-HD1 1.654 3.242 1.27e+010 ga 15455689 Arg9HG#-HE 1.652 7.530 1.71e+008 ga 3541234 Arg9HN-HG# 8.362 1.637 2.86e+008 ga 4427664 Arg9HG#-HN 1.654 8.347 4.23e+008 ga 7247034 Arg9HG#-Phe11HA 1.654 4.349 1.52e+010 ga 3274778 Phe11HN-Arg9HG# 8.502 1.639 1.52e+008 ga 2237042 Arg9HG#-Phe11HN 1.655 8.485 2.89e+008 ga 4465531 Ser5HN-Arg9HN 8.445 8.347 9.81e+007 ga 2020252 Arg9HN-Ser5HN 8.362 8.428 1.80e+008 ga 1972272 Phe11HN-Arg9HN 8.499 8.348 5.46e+008 ga 14280525 Arg9HN-Phe11HN 8.362 8.484 5.76e+008 ga 15360172 Arg9HN-Leu13HN 8.362 8.002 8.47e+009 ga 4517737 Phe7HE#-Asp10HA 7.294 4.264 2.66e+008 ga 6454685 Asp10HA-Phe7HE# 4.278 7.280 1.48e+008 ga 4465434 Asp10HA-Phe7HZ 4.280 7.246 7.06e+007 ga 1067833 Asp10HA-Arg9HN 4.278 8.348 1.67e+007 ga 934086 Asp10HN-HA 8.018 4.263 9.60e+008 ga 22421020 Asp10HA-HN 4.278 8.003 8.84e+008 ga 21573220 Phe11HE#-Asp10HA 7.141 4.263 8.99e+008 ga 27129142 Asp10HA-Phe11HE# 4.278 7.126 2.79e+008 ga 8965116 Phe11HN-Asp10HA 8.500 4.262 1.23e+008 ga 3124243 Asp10HA-Phe11HN 4.279 8.485 1.13e+008 ga 3094204 Ile12HN-Asp10HA 7.764 4.263 6.34e+008 ga 12991765 Asp10HA-Ile12HN 4.278 7.749 4.90e+008 ga 10491395 Gln14HE2#-Asp10HA 7.497 4.262 8.75e+007 ga 2787845 Asp10HA-Gln14HE2# 4.280 7.483 4.79e+007 ga 1945567 Asp10HA-Arg15HN 4.282 7.717 2.11e+009 ga 2039031 Phe7HA-Asp10HB1 4.216 2.964 3.57e+008 ga 7102918 Asp10HB1-Phe7HA 2.978 4.200 5.76e+008 ga 11995654 Asp10HB1-Phe7HE# 2.976 7.279 2.24e+008 ga 5141482 Asp10HB1-Phe7HN 2.979 8.306 4.88e+007 ga 1074947 Asp10HB1-Phe7HZ 2.978 7.244 5.51e+007 ga 1337874 Phe8HA-Asp10HB1 4.414 2.964 3.01e+007 ga 1044525 Asp10HB1-Phe8HA 2.973 4.401 5.23e+007 ga 1391622 Asp10HB1-Phe8HE# 2.980 7.086 4.77e+007 ga 1026540 Arg9HA-Asp10HB1 3.891 2.963 1.87e+007 ga 937507 Asp10HB1-Arg9HA 2.977 3.876 6.35e+007 ga 943498 Asp10HB1-Arg9HN 2.977 8.345 3.54e+007 ga 955080 Asp10HA-HB1 4.278 2.963 7.54e+008 ga 14192596 Asp10HB1-HA 2.978 4.263 1.13e+009 ga 24677636 Asp10HN-HB1 8.018 2.964 7.32e+008 ga 13243229 Asp10HB1-HN 2.978 8.003 1.11e+009 ga 21443080 Asp10HB1-Phe11HA 2.973 4.348 9.18e+007 ga 1957842 Asp10HB1-Phe11HE# 2.978 7.126 3.11e+008 ga 8030913 Phe11HN-Asp10HB1 8.499 2.966 6.67e+007 ga 1220296 Asp10HB1-Phe11HN 2.977 8.486 1.18e+008 ga 2969676 Ile12HA-Asp10HB1 3.806 2.963 1.21e+008 ga 1732903 Asp10HB1-Ile12HA 2.980 3.791 1.47e+008 ga 2691545 Ile12HN-Asp10HB1 7.767 2.963 4.10e+008 ga 6944148 Asp10HB1-Ile12HN 2.978 7.751 5.04e+008 ga 9444815 Asp10HB2-Phe7HA 2.807 4.201 4.65e+008 ga 9678095 Asp10HB2-Phe7HE# 2.805 7.279 1.98e+008 ga 4724206 Asp10HB2-Phe7HN 2.804 8.311 9.68e+007 ga 971881 Asp10HB2-Phe7HZ 2.808 7.243 5.36e+007 ga 1039172 Asp10HB2-Phe8HA 2.807 4.399 5.04e+007 ga 1465841 Asp10HB2-Phe8HE# 2.808 7.090 5.44e+007 ga 941600 Asp10HB2-Arg9HA 2.808 3.877 2.40e+007 ga 1113037 Asp10HA-HB2 4.277 2.790 2.71e+008 ga 5616101 Asp10HB2-HA 2.807 4.263 1.42e+009 ga 29232014 Asp10HB1-HB2 2.977 2.789 5.60e+008 ga 8809869 Asp10HB2-HB1 2.807 2.963 1.58e+009 ga 24428002 Asp10HN-HB2 8.018 2.789 2.28e+008 ga 4916120 Asp10HB2-HN 2.807 8.003 1.07e+009 ga 22487818 Asp10HB2-Phe11HA 2.808 4.350 1.09e+008 ga 1797818 Asp10HB2-Phe11HE# 2.807 7.126 3.12e+008 ga 8228133 Asp10HB2-Phe11HN 2.807 8.485 1.59e+008 ga 3395798 Asp10HB2-Ile12HA 2.809 3.790 1.04e+008 ga 2073142 Asp10HB2-Ile12HG11 2.807 1.533 1.06e+008 ga 1865365 Ile12HN-Asp10HB2 7.766 2.788 8.66e+007 ga 2458401 Asp10HB2-Ile12HN 2.807 7.752 4.04e+008 ga 7984328 Asp10HN-Phe7HZ 8.016 7.240 4.22e+007 ga 1301617 Asp10HN-Phe8HA 7.999 4.398 8.58e+008 ga 17037486 Asp10HN-Phe11HN 8.018 8.485 6.35e+008 ga 16256288 Asp10HN-Ile12HA 8.015 3.791 5.06e+008 ga 12587975 Asp10HN-Ile12HB 8.014 1.976 1.31e+009 ga 17020546 Arg9HN-Phe11HA 8.362 4.348 1.05e+008 ga 2772571 Phe11HA-Arg9HN 4.362 8.348 1.18e+008 ga 2773168 Asp10HN-Phe11HA 8.017 4.348 6.14e+008 ga 13923436 Phe11HA-Asp10HN 4.363 8.002 6.29e+008 ga 14759755 Phe11HN-HA 8.499 4.348 7.82e+008 ga 20423866 Phe11HA-HN 4.363 8.485 8.16e+008 ga 23694156 Ile12HN-Phe11HA 7.758 4.348 3.66e+008 ga 6624920 Phe11HA-Ile12HN 4.364 7.746 2.96e+008 ga 5862191 Phe11HB1-Phe7HE# 2.702 7.280 7.88e+007 ga 1495889 Phe11HB1-Phe7HN 2.689 8.304 3.66e+008 ga 1020561 Phe11HB1-Phe8HA 2.698 4.398 4.58e+009 ga 7346475 Phe11HB1-Phe8HB1 2.696 3.251 2.18e+008 ga 1593564 Phe11HB1-Arg9HA 2.698 3.877 6.24e+007 ga 1456999 Phe11HB1-Arg9HN 2.701 8.346 1.28e+008 ga 1985751 Phe11HB1-Asp10HA 2.704 4.265 1.81e+008 ga 3081294 Phe11HB1-Asp10HN 2.698 8.003 6.11e+008 ga 9012230 Phe11HB1-HA 2.699 4.349 1.20e+009 ga 19167300 Phe11HB1-HE# 2.695 7.126 1.20e+008 ga 1482667 Phe11HB1-HN 2.698 8.485 9.46e+008 ga 17311146 Phe11HB1-Ile12HN 2.703 7.749 1.10e+008 ga 1598269 Phe11HB1-Lys17HA 2.688 4.116 2.07e+008 ga 2479045 Phe11HB2-Phe7HE# 2.414 7.280 4.93e+007 ga 1279614 Phe8HA-Phe11HB2 4.413 2.397 1.64e+008 ga 2380132 Phe11HB2-Phe8HA 2.407 4.398 3.33e+008 ga 5704726 Phe11HB2-Phe8HB1 2.408 3.251 1.15e+009 ga 1154386 Phe11HB2-Arg9HA 2.411 3.880 4.16e+007 ga 928553 Phe11HB2-Arg9HN 2.411 8.347 8.82e+007 ga 1748275 Asp10HA-Phe11HB2 4.277 2.397 4.66e+008 ga 1004461 Phe11HB2-Asp10HA 2.411 4.263 2519744 Phe11HB2-Asp10HB1 2.401 2.968 4.85e+008 ga 973422 Asp10HN-Phe11HB2 8.019 2.398 2.62e+008 ga 3083591 Phe11HB2-Asp10HN 2.406 8.003 5.96e+008 ga 9125591 Phe11HA-HB2 4.363 2.398 6.39e+008 ga 10055041 Phe11HB2-HA 2.406 4.349 1.42e+009 ga 25256892 Phe11HB1-HB2 2.699 2.397 15551304 Phe11HB2-HB1 2.406 2.693 1.39e+008 ga 1673871 Phe11HB2-HE# 2.403 7.122 1.34e+008 ga 1222850 Phe11HN-HB2 8.499 2.397 3.29e+008 ga 5466192 Phe11HB2-HN 2.407 8.485 8.23e+008 ga 16384966 Asp10HN-Phe11HE# 8.017 7.126 1.21e+008 ga 4008861 Phe11HE#-Asp10HN 7.141 8.003 3.97e+008 ga 12003913 Phe11HE#-HA 7.142 4.349 6.56e+007 ga 1860203 Phe11HE#-HN 7.141 8.486 6.72e+007 ga 2455947 Ile12HN-Phe11HE# 7.765 7.126 9.16e+007 ga 2556440 Phe11HE#-Ile12HN 7.141 7.750 2.52e+008 ga 6913226 Phe11HN-Leu13HN 8.500 8.003 6.12e+008 ga 15848499 Phe7HE#-Ile12HA 7.292 3.790 1.11e+008 ga 3054514 Ile12HA-Phe7HE# 3.808 7.277 9.27e+007 ga 2891108 Phe7HZ-Ile12HA 7.255 3.792 1578984 Ile12HA-Phe7HZ 3.809 7.239 4.25e+007 ga 1226039 Ile12HA-Arg9HA 3.807 3.878 1.02e+008 ga 2941569 Asp10HA-Ile12HA 4.279 3.791 1.38e+008 ga 2754771 Ile12HA-Asp10HA 3.808 4.264 1.34e+008 ga 3591367 Phe11HE#-Ile12HA 7.142 3.792 2.25e+008 ga 6164624 Ile12HA-Phe11HE# 3.807 7.126 8.83e+007 ga 2661615 Ile12HN-HA 7.765 3.791 9.10e+008 ga 19059390 Ile12HA-HN 3.807 7.751 8.46e+008 ga 18118450 Ile12HA-Leu13HN 3.806 8.000 4.81e+008 ga 12455733 Ile12HB-Phe7HE# 1.992 7.277 3.03e+008 ga 4716925 Ile12HB-Phe7HZ 1.996 7.241 7.13e+007 ga 1481997 Asp10HB1-Ile12HB 2.977 1.974 2.54e+008 ga 1865866 Ile12HB-Asp10HB1 1.994 2.964 1.34e+008 ga 1610257 Ile12HB-Phe11HE# 1.990 7.127 4.72e+007 ga 1110159 Ile12HA-HB 3.806 1.977 8.18e+008 ga 15150216 Ile12HB-HA 1.990 3.791 9.73e+008 ga 19026242 Ile12HB-Leu13HN 1.991 8.000 1.52e+009 ga 21982334 Gln14HN-Ile12HB 7.765 1.976 1.21e+010 ga 18682902 Ile12HB-Gln14HN 1.991 7.751 1.27e+010 ga 22792302 Phe7HA-Ile12HD# 4.214 0.812 2.19e+008 ga 6168882 Ile12HD#-Phe7HA 0.827 4.200 3.70e+008 ga 9493333 Phe7HB#-Ile12HD# 3.224 0.814 1.53e+008 ga 4389402 Ile12HD#-Phe7HB# 0.827 3.208 2.71e+008 ga 6427449 Phe7HD#-Ile12HD# 7.181 0.812 9.95e+007 ga 2899249 Ile12HD#-Phe7HD# 0.826 7.167 6.16e+007 ga 1886147 Phe7HE#-Ile12HD# 7.293 0.812 3.04e+008 ga 9655592 Ile12HD#-Phe7HE# 0.827 7.277 1.70e+009 ga 13423312 Ile12HD#-Phe7HN 0.826 8.308 4.13e+007 ga 1198173 Phe7HZ-Ile12HD# 7.255 0.813 1.11e+010 ga 6397890 Ile12HD#-Phe7HZ 0.827 7.241 1.48e+009 ga 6264266 Phe8HE#-Ile12HD# 7.103 0.813 4613316 Ile12HD#-Phe8HE# 0.827 7.088 6.12e+007 ga 2259781 Arg9HA-Ile12HD# 3.895 0.813 6318304 Ile12HD#-Arg9HA 0.827 3.878 4.21e+008 ga 9873000 Arg9HN-Ile12HD# 8.359 0.807 6.90e+007 ga 1251152 Ile12HD#-Arg9HN 0.827 8.348 5.11e+007 ga 1954277 Ile12HD#-Asp10HA 0.827 4.262 1.17e+009 ga 2683887 Ile12HD#-Asp10HB1 0.826 2.964 1.04e+008 ga 2516511 Phe11HA-Ile12HD# 4.361 0.814 2.67e+008 ga 15092921 Ile12HD#-Phe11HA 0.826 4.346 1222830 Phe11HE#-Ile12HD# 7.140 0.814 6.37e+008 ga 6925653 Ile12HD#-Phe11HE# 0.828 7.126 4.15e+008 ga 4426678 Ile12HA-HD# 3.806 0.813 3.81e+009 ga 25526872 Ile12HD#-HA 0.827 3.792 5.49e+009 ga 37747420 Ile12HB-HD# 1.991 0.812 9.42e+008 ga 19207978 Ile12HD#-HB 0.827 1.976 6.99e+009 ga 21573474 Ile12HG11-HD# 1.550 0.812 1.38e+009 ga 26816010 Ile12HD#-HG11 0.828 1.537 1.91e+009 ga 30316468 Ile12HN-HD# 7.766 0.812 3.07e+009 ga 8237419 Ile12HD#-HN 0.828 7.751 3.72e+009 ga 13058450 Leu13HA-Ile12HD# 4.139 0.813 7.82e+007 ga 3141122 Ile12HD#-Leu13HA 0.827 4.125 1.19e+008 ga 2934351 Ile12HD#-Leu13HB1 0.827 1.840 1.46e+008 ga 2133036 Ile12HD#-Leu13HB2 0.827 1.682 1.62e+008 ga 3244395 Leu13HN-Ile12HD# 8.017 0.813 2.99e+009 ga 6028458 Ile12HD#-Leu13HN 0.828 8.000 3.70e+009 ga 9214044 Ile12HG11-Phe7HB# 1.543 3.207 1.75e+008 ga 2359264 Phe7HE#-Ile12HG11 7.292 1.534 2.93e+008 ga 3393945 Ile12HG11-Phe7HE# 1.546 7.278 2.37e+008 ga 4616112 Arg9HA-Ile12HG11 3.892 1.538 2.21e+008 ga 2635621 Ile12HG11-Arg9HA 1.551 3.879 2.50e+009 ga 4266181 Asp10HA-Ile12HG11 4.278 1.532 1460420 Ile12HG11-Asp10HA 1.545 4.262 1.03e+010 ga 2939619 Asp10HB1-Ile12HG11 2.976 1.536 2.34e+008 ga 2335580 Ile12HG11-Asp10HB1 1.548 2.961 2.25e+008 ga 2144401 Ile12HG11-Phe11HA 1.539 4.346 7.77e+007 ga 1611208 Phe11HE#-Ile12HG11 7.141 1.535 2.47e+008 ga 4445534 Ile12HG11-Phe11HE# 1.549 7.126 1.16e+008 ga 2563754 Ile12HA-HG11 3.807 1.536 9.03e+008 ga 12788362 Ile12HG11-HA 1.549 3.792 1.11e+009 ga 17674734 Ile12HB-HG11 1.990 1.536 1.05e+009 ga 13051564 Ile12HG11-HB 1.549 1.975 1.03e+009 ga 14532850 Ile12HN-HG11 7.765 1.536 11447331 Ile12HG11-HN 1.548 7.751 3.74e+008 ga 14899940 Leu13HN-Ile12HG11 8.015 1.537 3.23e+009 ga 5111440 Ile12HG11-Leu13HN 1.549 8.001 3.33e+009 ga 7853932 Ile12HG12-Phe7HB# 1.259 3.207 1.14e+008 ga 2895609 Ile12HG12-Phe7HE# 1.261 7.277 1.69e+008 ga 3422461 Ile12HG12-Phe7HZ 1.266 7.241 1.52e+008 ga 1566623 Ile12HG12-Arg9HA 1.262 3.879 2.57e+008 ga 4262762 Ile12HG12-Asp10HB1 1.261 2.963 1.17e+008 ga 1897814 Ile12HG12-Phe11HE# 1.259 7.127 1.00e+008 ga 2237744 Ile12HG12-HA 1.262 3.791 1.02e+009 ga 18233390 Ile12HG12-HB 1.262 1.975 9.21e+008 ga 11830000 Ile12HG12-HD# 1.264 0.812 1.37e+009 ga 23505748 Ile12HG12-HG11 1.262 1.537 3.09e+009 ga 35243756 Ile12HG12-HG2# 1.262 0.850 6.77e+009 ga 23636834 Ile12HG12-HN 1.262 7.752 6.93e+008 ga 12311250 Ile12HG12-Leu13HN 1.262 8.001 3.33e+008 ga 6527617 Phe7HA-Ile12HG2# 4.215 0.850 1.62e+008 ga 4862135 Ile12HG2#-Phe7HA 0.865 4.202 2.92e+008 ga 7079452 Phe7HB#-Ile12HG2# 3.225 0.848 8.24e+007 ga 1779921 Ile12HG2#-Phe7HB# 0.866 3.210 3094437 Phe7HD#-Ile12HG2# 7.183 0.852 7.10e+007 ga 2393570 Ile12HG2#-Phe7HD# 0.867 7.167 6.62e+007 ga 1790006 Phe7HE#-Ile12HG2# 7.291 0.851 9.92e+009 ga 7357271 Ile12HG2#-Phe7HE# 0.865 7.277 1.54e+009 ga 9411566 Phe7HZ-Ile12HG2# 7.254 0.851 1.01e+010 ga 6358195 Ile12HG2#-Phe7HZ 0.865 7.241 1.42e+009 ga 6431780 Arg9HA-Ile12HG2# 3.894 0.851 1.60e+009 ga 6075297 Ile12HG2#-Arg9HA 0.866 3.878 3.31e+008 ga 8667531 Ile12HG2#-Arg9HN 0.866 8.347 3.42e+007 ga 1252983 Asp10HA-Ile12HG2# 4.276 0.852 7.63e+007 ga 1941314 Ile12HG2#-Asp10HA 0.866 4.263 1.12e+009 ga 2716653 Phe11HA-Ile12HG2# 4.366 0.852 8.69e+007 ga 1351624 Ile12HG2#-Phe11HA 0.866 4.344 5.72e+007 ga 1597108 Phe11HE#-Ile12HG2# 7.141 0.851 1.32e+008 ga 5084505 Ile12HG2#-Phe11HE# 0.865 7.125 8.09e+008 ga 2872212 Ile12HG2#-Phe11HN 0.865 8.485 3.14e+007 ga 1088161 Ile12HA-HG2# 3.807 0.850 1.33e+009 ga 41532300 Ile12HG2#-HA 0.865 3.791 2.42e+009 ga 56457596 Ile12HB-HG2# 1.990 0.850 1.67e+009 ga 43498912 Ile12HG2#-HB 0.865 1.975 2.53e+009 ga 45296588 Ile12HG11-HG2# 1.549 0.851 1.02e+009 ga 23139470 Ile12HG2#-HG11 0.866 1.536 1.41e+009 ga 22817076 Ile12HN-HG2# 7.765 0.851 5.68e+008 ga 15947371 Ile12HG2#-HN 0.865 7.751 1.91e+009 ga 21099088 Leu13HA-Ile12HG2# 4.140 0.851 4.65e+008 ga 12992773 Ile12HG2#-Leu13HA 0.867 4.125 16365859 Leu13HB1-Ile12HG2# 1.860 0.850 3.58e+008 ga 5697206 Ile12HG2#-Leu13HB1 0.866 1.848 3.95e+008 ga 4995973 Leu13HB2-Ile12HG2# 1.694 0.851 6.67e+008 ga 13858026 Ile12HG2#-Leu13HB2 0.866 1.680 7.18e+008 ga 13018929 Leu13HN-Ile12HG2# 8.015 0.850 5.22e+008 ga 15832691 Ile12HG2#-Leu13HN 0.865 8.000 2.17e+009 ga 20941838 Lys16HN-Ile12HG2# 8.129 0.855 2.92e+007 ga 1243859 Ile12HG2#-Lys16HN 0.864 8.111 3.47e+007 ga 922808 Ile12HN-Arg9HN 7.766 8.346 4.97e+007 ga 1683113 Asp10HN-Ile12HN 8.015 7.749 2.05e+009 ga 39334812 Ile12HN-Asp10HN 7.764 8.001 2.13e+009 ga 42194732 Phe11HN-Ile12HN 8.501 7.753 1.42e+008 ga 3118791 Ile12HN-Phe11HN 7.765 8.485 1.35e+008 ga 3779272 Leu13HA-HB2 4.139 1.680 4.70e+009 ga 16540524 Leu13HN-HA 8.014 4.125 9.18e+008 ga 19298930 Leu13HA-HN 4.140 8.000 8.89e+008 ga 21510658 Gln14HN-Leu13HA 7.758 4.125 1.23e+010 ga 18293388 Leu13HA-Gln14HN 4.140 7.744 1.10e+010 ga 19317308 Leu13HA-HB1 4.140 1.849 1.82e+009 ga 16837520 Leu13HB1-HA 1.862 4.125 2.85e+009 ga 23047798 Leu13HN-HB1 8.012 1.849 1.52e+009 ga 16907590 Leu13HB1-HN 1.863 7.999 9.05e+008 ga 24053632 Leu13HB1-Gln14HN 1.861 7.744 1.35e+010 ga 14498134 Arg9HA-Leu13HB2 3.894 1.680 2.11e+009 ga 5290821 Leu13HB2-Arg9HA 1.693 3.878 2.77e+009 ga 7231178 Leu13HB2-Phe11HA 1.694 4.348 1.66e+010 ga 5638267 Leu13HN-HB2 8.014 1.681 1.09e+009 ga 15708930 Leu13HB2-HN 1.696 7.999 1.26e+009 ga 20871248 Leu13HB2-Gln14HN 1.697 7.744 1.28e+009 ga 11114494 Phe7HB#-Leu13HD1# 3.226 0.946 7.46e+008 ga 2668617 Leu13HD1#-Phe7HB# 0.962 3.210 3767910 Phe7HD#-Leu13HD1# 7.185 0.946 4.61e+007 ga 2023804 Leu13HD1#-Phe7HD# 0.962 7.167 5.04e+007 ga 1454230 Phe7HE#-Leu13HD1# 7.292 0.945 1.04e+009 ga 5239111 Leu13HD1#-Phe7HE# 0.962 7.276 1.66e+008 ga 6427167 Phe7HZ-Leu13HD1# 7.254 0.946 7.41e+008 ga 6033558 Leu13HD1#-Phe7HZ 0.961 7.240 1.53e+008 ga 4887855 Arg9HA-Leu13HD1# 3.893 0.947 3.39e+008 ga 12134756 Leu13HD1#-Arg9HA 0.961 3.879 5.26e+008 ga 15897730 Arg9HD1-Leu13HD1# 3.290 0.947 7.18e+008 ga 3887325 Leu13HD1#-Arg9HD1 0.960 3.242 4.85e+009 ga 4534130 Arg9HE-Leu13HD1# 7.547 0.946 2.44e+007 ga 1003146 Leu13HD1#-Arg9HE 0.961 7.530 4.74e+007 ga 1669455 Arg9HN-Leu13HD1# 8.363 0.946 5.40e+007 ga 2150403 Leu13HD1#-Arg9HN 0.962 8.347 8.77e+007 ga 2844071 Phe11HA-Leu13HD1# 4.363 0.946 2.47e+008 ga 8689323 Leu13HD1#-Phe11HA 0.961 4.348 3.77e+008 ga 11226520 Phe11HN-Leu13HD1# 8.499 0.947 4.88e+007 ga 1621731 Leu13HD1#-Phe11HN 0.963 8.486 7.89e+007 ga 2705143 Ile12HA-Leu13HD1# 3.808 0.944 4.74e+007 ga 1729465 Leu13HD1#-Ile12HA 0.959 3.793 1.09e+008 ga 2236720 Leu13HA-HD1# 4.140 0.946 5.78e+008 ga 20863116 Leu13HD1#-HA 0.962 4.125 8.37e+008 ga 22726814 Leu13HB1-HD1# 1.861 0.946 1.50e+009 ga 40602376 Leu13HD1#-HB1 0.961 1.848 1.91e+009 ga 33755628 Leu13HB2-HD1# 1.695 0.946 2.14e+009 ga 51253584 Leu13HD1#-HB2 0.962 1.684 2.57e+009 ga 44666804 Leu13HG-HD1# 1.607 0.946 1.46e+009 ga 36434128 Leu13HD1#-HG 0.962 1.591 1.81e+009 ga 32316762 Leu13HN-HD1# 8.014 0.946 3.80e+008 ga 13180429 Leu13HD1#-HN 0.962 8.000 5.29e+008 ga 15673501 Leu13HD1#-Gln14HB2 0.961 2.001 5.70e+008 ga 6952104 Leu13HD1#-Gln14HE2# 0.961 7.481 3.81e+007 ga 1000664 Gln14HN-Leu13HD1# 7.759 0.946 1.97e+008 ga 6164749 Leu13HD1#-Gln14HN 0.962 7.744 2.91e+008 ga 7827682 Arg9HA-Leu13HD2# 3.893 0.892 1.32e+008 ga 3245125 Leu13HD2#-Arg9HA 0.906 3.879 2.25e+008 ga 6084804 Arg9HN-Leu13HD2# 8.359 0.897 4.24e+007 ga 964973 Leu13HD2#-Arg9HN 0.913 8.346 6.97e+007 ga 1357755 Phe11HA-Leu13HD2# 4.365 0.892 3340403 Leu13HD2#-Phe11HA 0.906 4.347 1.31e+008 ga 4142449 Phe11HN-Leu13HD2# 8.495 0.894 6.40e+007 ga 1038407 Leu13HD2#-Phe11HN 0.914 8.483 1.52e+008 ga 1006558 Ile12HA-Leu13HD2# 3.807 0.891 1.25e+008 ga 3638997 Leu13HD2#-Ile12HA 0.904 3.792 8.31e+009 ga 4550161 Ile12HB-Leu13HD2# 1.994 0.892 3.07e+008 ga 5709131 Leu13HD2#-Ile12HB 0.906 1.978 4.02e+008 ga 6304608 Leu13HA-HD2# 4.140 0.892 1.91e+009 ga 65965484 Leu13HD2#-HA 0.907 4.125 2.67e+009 ga 73265184 Leu13HB2-HD2# 1.693 0.892 3.04e+009 ga 50801728 Leu13HD2#-HB2 0.909 1.679 3.96e+009 ga 50149188 Leu13HD2#-HG 0.907 1.591 1.64e+009 ga 28139682 Leu13HN-HD2# 8.014 0.891 4.53e+008 ga 12422227 Leu13HD2#-HN 0.907 7.999 3.33e+009 ga 16743241 Gln14HN-Leu13HD2# 7.760 0.892 2.42e+008 ga 7871674 Leu13HD2#-Gln14HN 0.907 7.745 4.29e+009 ga 9552413 Leu13HD2#-Lys16HN 0.907 8.112 2.86e+007 ga 994935 Arg9HA-Leu13HG 3.894 1.592 2.17e+009 ga 4720872 Leu13HG-Arg9HA 1.607 3.879 2.39e+009 ga 6837432 Phe11HA-Leu13HG 4.362 1.591 2.45e+008 ga 3940007 Leu13HG-Phe11HA 1.607 4.349 3.82e+008 ga 6595320 Leu13HA-HG 4.140 1.591 1.30e+009 ga 22255842 Leu13HG-HA 1.606 4.125 1.52e+009 ga 27906820 Leu13HN-HG 8.014 1.590 3.27e+009 ga 12349153 Leu13HG-HN 1.607 7.999 3.40e+009 ga 17024904 Gln14HN-Leu13HG 7.759 1.590 8.15e+009 ga 7663353 Leu13HG-Gln14HN 1.606 7.744 1.35e+009 ga 10867231 Gln14HE2#-HA 7.497 4.174 7.21e+007 ga 1967016 Gln14HA-HE2# 4.189 7.483 6.15e+007 ga 1874287 Gln14HN-HA 7.757 4.175 6.22e+009 ga 38401352 Gln14HA-HN 4.190 7.743 5.24e+009 ga 39310404 Gln14HA-Arg15HN 4.189 7.717 5.93e+009 ga 21144552 Lys17HN-Gln14HA 7.883 4.173 9.31e+008 ga 1600490 Gln14HA-Lys17HN 4.191 7.871 8.98e+008 ga 1289928 Gln14HB1-Asp10HA 2.107 4.264 2.78e+008 ga 4057479 Gln14HB1-Leu13HN 2.106 8.000 1.19e+008 ga 2207342 Gln14HB1-HA 2.104 4.175 1.82e+009 ga 31673040 Gln14HB1-HB2 2.103 2.012 4.59e+009 ga 63208668 Gln14HB1-HE2# 2.105 7.484 5.83e+007 ga 1843553 Gln14HB1-HN 2.104 7.743 1.00e+009 ga 17748284 Gln14HB1-Lys16HN 2.098 8.113 3.80e+007 ga 1103833 Asp10HA-Gln14HB2 4.277 2.010 2.87e+008 ga 2828305 Gln14HB2-Asp10HA 2.026 4.263 3.49e+008 ga 5178246 Gln14HA-HB2 4.190 2.011 1.17e+009 ga 19079860 Gln14HB2-HA 2.028 4.176 1.62e+009 ga 25813690 Gln14HB2-HE2# 2.030 7.485 7.26e+007 ga 1868761 Gln14HN-HB2 7.758 2.010 8.77e+009 ga 17276716 Gln14HB2-HN 2.027 7.743 9.33e+009 ga 23316712 Gln14HE-HB2 7.495 2.012 1.95e+008 ga 1201026 Gln14HE2#-HN 7.495 7.745 6.22e+007 ga 1818108 Gln14HG1-Asp10HA 2.374 4.264 6.13e+008 ga 3545608 Gln14HA-HG1 4.190 2.358 1.76e+009 ga 6087444 Gln14HG1-HA 2.371 4.175 2.58e+009 ga 14015571 Gln14HG1-HB2 2.370 2.009 1.14e+010 ga 12227041 Gln14HE2#-HG1 7.497 2.356 8.04e+008 ga 3383703 Gln14HG1-HE2# 2.371 7.482 7.87e+008 ga 8034464 Gln14HN-HG1 7.759 2.359 1.27e+009 ga 4358802 Gln14HG1-HN 2.371 7.743 1.50e+009 ga 12037411 Gln14HG1-Lys17HA 2.350 4.116 6.64e+008 ga 19765210 Asp10HA-Gln14HG2 4.277 2.319 5.20e+007 ga 1077868 Gln14HG2-Asp10HA 2.333 4.263 3059604 Gln14HG2-Phe11HA 2.333 4.349 7.57e+007 ga 1910031 Gln14HA-HG2 4.190 2.321 1.01e+009 ga 7536971 Gln14HG2-HA 2.333 4.175 2.06e+009 ga 18633986 Gln14HG2-HB2 2.334 2.009 1.15e+010 ga 11566612 Gln14HE2#-HG2 7.497 2.321 6.28e+008 ga 4053284 Gln14HG2-HE2# 2.334 7.482 8.84e+008 ga 7586038 Gln14HN-HG2 7.758 2.321 1.03e+009 ga 4223059 Gln14HG2-HN 2.334 7.743 1.99e+009 ga 11384906 Arg15HE-HA 7.494 4.211 5.21e+007 ga 1680903 Arg15HA-HE 4.228 7.474 7.67e+007 ga 1440549 Arg15HN-HA 7.731 4.211 1.07e+010 ga 21000336 Arg15HA-HN 4.227 7.716 1.30e+010 ga 19250142 Lys16HN-Arg15HA 8.128 4.211 1.21e+009 ga 31544932 Arg15HA-Lys16HN 4.227 8.113 1.17e+009 ga 32891200 Lys17HN-Arg15HA 7.885 4.210 2.80e+008 ga 3653379 Arg15HA-Lys17HN 4.224 7.869 1.86e+008 ga 3457064 Ile12HA-Arg15HB1 3.807 1.832 2.03e+008 Arg15HB1-Ile12HA 1.850 3.791 3.06e+008 ga 4247894 Arg15HA-HB1 4.228 1.833 2.64e+009 ga 36004868 Arg15HB1-HA 1.848 4.214 3.13e+009 ga 47822424 Arg15HD1-HB1 3.073 1.829 4.62e+009 ga 6408816 Arg15HB1-HD1 1.842 3.060 1.22e+009 ga 6953155 Arg15HD2-HB1 3.047 1.831 3.21e+009 ga 6512370 Arg15HB1-HD2 1.842 3.032 1.57e+009 ga 6765502 Arg15HB1-HE 1.841 7.475 1.28e+008 ga 1832275 Arg15HB1-HN 1.847 7.715 1.06e+010 ga 15911618 Arg15HB1-Lys16HA 1.844 4.289 1.65e+008 ga 2653030 Lys16HN-Arg15HB1 8.128 1.828 1.76e+009 ga 4666583 Arg15HB1-Lys16HN 1.840 8.113 2.25e+009 ga 6581528 Arg15HB2-Ile12HA 1.698 3.791 3.89e+008 ga 6831756 Arg15HB2-HD1 1.701 3.061 1.39e+010 ga 7052999 Arg15HB2-HE 1.701 7.478 1.19e+008 ga 1750813 Arg15HB2-HN 1.700 7.716 1.41e+009 ga 17464788 Arg15HD1-Phe7HZ 3.073 7.244 3.75e+008 ga 1465251 Arg15HD1-Ile12HA 3.075 3.791 4.66e+008 ga 3297580 Arg15HE-HD1 7.488 3.061 4.22e+008 ga 2818200 Arg15HD1-HE 3.073 7.472 5.89e+008 ga 5760076 Arg15HD2-Phe7HE# 3.047 7.279 8.96e+008 ga 2810417 Arg15HD2-Phe7HZ 3.045 7.243 3.37e+008 ga 1477148 Arg15HD2-Ile12HA 3.051 3.793 5.99e+008 ga 2733229 Arg15HE-HD2 7.489 3.034 6.13e+008 ga 2722971 Arg15HD2-HE 3.051 7.473 5.72e+008 ga 5578436 Arg15HN-HD2 7.728 3.029 7.57e+008 ga 2297365 Arg15HD2-HN 3.047 7.715 6.59e+008 ga 2955931 Arg15HD2-Lys16HN 3.052 8.112 2.07e+008 ga 1516620 Arg15HA-HG1 4.227 1.559 4.94e+009 ga 13011816 Arg15HG1-HA 1.577 4.211 5.78e+009 ga 16459236 Arg15HD1-HG1 3.078 1.560 2.22e+010 ga 9921680 Arg15HG1-HD1 1.577 3.061 5.39e+009 ga 11274453 Arg15HD2-HG1 3.054 1.561 1.73e+010 ga 11617657 Arg15HG1-HD2 1.577 3.035 5.99e+009 ga 9906322 Arg15HE-HG1 7.492 1.560 1.55e+008 ga 2468802 Arg15HG1-HE 1.576 7.472 6.49e+008 ga 2295797 Arg15HN-HG1 7.732 1.565 1.51e+010 ga 6924047 Arg15HG1-HN 1.578 7.716 1.04e+009 ga 8237491 Arg15HA-HG2 4.225 1.526 4.91e+009 ga 11321117 Arg15HG2-HA 1.543 4.209 2.10e+009 ga 16159458 Arg15HG2-HD1 1.540 3.061 5.36e+009 ga 10504039 Arg15HG2-HD2 1.540 3.034 5.30e+009 ga 11551636 Arg15HE-HG2 7.487 1.528 6.83e+007 ga 1414296 Arg15HG2-HE 1.541 7.475 5.96e+008 ga 2372340 Arg15HN-HG2 7.731 1.523 1.51e+010 ga 6567266 Arg15HG2-HN 1.542 7.717 2.39e+009 ga 8258019 Lys16HN-Arg15HG2 8.129 1.528 1.02e+009 ga 2084747 Arg15HG2-Lys16HN 1.544 8.112 1.25e+009 ga 2753426 Arg15HN-HD1 7.731 3.058 8.77e+008 ga 1863000 Lys16HN-Arg15HN 8.127 7.716 4.63e+008 ga 9266551 Arg15HN-Lys16HN 7.731 8.112 4.74e+008 ga 10149105 Lys16HN-HA 8.127 4.289 6.40e+008 ga 18003898 Lys16HA-HN 4.304 8.113 7.12e+008 ga 22126090 Lys17HN-Lys16HA 7.884 4.288 1.82e+009 ga 58472356 Lys16HA-Lys17HN 4.303 7.869 1.81e+009 ga 65033464 Lys16HA-HB1 4.304 1.876 1.01e+009 ga 15610489 Lys16HB1-HA 1.887 4.288 1.33e+009 ga 23805892 Lys16HN-HB1 8.127 1.875 1.01e+009 ga 8161697 Lys16HB1-HN 1.888 8.113 1.20e+009 ga 13399574 Lys17HN-Lys16HB1 7.884 1.876 1.42e+009 ga 4912618 Lys16HB1-Lys17HN 1.888 7.869 2.92e+008 ga 7656740 Lys16HA-HB2 4.303 1.745 9.32e+008 ga 20356722 Lys16HB2-HA 1.761 4.288 1.07e+009 ga 29271448 Lys16HN-HB2 8.128 1.746 6.48e+008 ga 11393896 Lys16HB2-HN 1.762 8.113 8.59e+008 ga 18739444 Lys16HA-HD# 4.303 1.675 2.78e+009 ga 8355095 Lys16HD#-HA 1.686 4.288 5.73e+008 ga 11079943 Lys16HN-HD# 8.127 1.684 1.96e+009 ga 5481436 Lys16HD#-HN 1.697 8.113 2.62e+009 ga 7460880 Lys16HA-HG# 4.304 1.461 7.00e+008 ga 8650138 Lys16HG#-HA 1.469 4.288 9.48e+008 ga 12908708 Lys16HN-HG# 8.129 1.460 1.06e+009 ga 3733394 Lys16HG#-HN 1.479 8.113 1.08e+009 ga 6965426 Lys16HG#-Lys17HN 1.473 7.869 1.29e+009 ga 4256077 Lys16HN-Arg15HG1 8.127 1.564 1.06e+009 ga 2657204 Lys17HA-Lys16HA 4.132 4.287 1.98e+008 ga 4741047 Lys16HN-Lys17HA 8.128 4.125 1.32e+008 ga 3269458 Lys17HA-Lys16HN 4.137 8.113 1.19e+008 ga 3271860 Lys17HA-HG# 4.134 1.398 9.85e+008 ga 2765282 Lys17HN-HA 7.883 4.118 7.12e+008 ga 22801070 Lys17HA-HN 4.133 7.868 6.35e+008 ga 23650888 Lys17HB1-HA 1.822 4.116 2.97e+010 ga 19545338 Lys17HN-HB1 7.884 1.813 3.32e+008 ga 7321636 Lys17HB1-HN 1.823 7.869 3.89e+008 ga 10380379 Lys17HA-HB2 4.133 1.715 2.73e+010 ga 9709826 Lys17HB2-HA 1.726 4.114 2.96e+010 ga 16077710 Lys17HN-HB2 7.884 1.717 8.66e+008 ga 11411028 Lys17HB2-HN 1.730 7.869 9.76e+008 ga 19222480 Lys17HD#-HN 1.686 7.869 2.40e+009 ga 4685669 Lys17HE#-HA 2.995 4.119 1.03e+008 ga 1790983 Lys17HE#-HN 2.996 7.866 4.62e+007 ga 1487917 Lys17HG#-Lys16HA 1.417 4.286 2.71e+009 ga 1943789 Lys17HN-HG# 7.884 1.404 7.12e+008 ga 5280635 Lys17HG#-HN 1.417 7.869 9.43e+008 ga 9764877 Lys16HN-Lys17HN 8.128 7.869 2.82e+008 ga 9593164 Lys17HN-Lys16HN 7.884 8.112 3.39e+008 ga 10812165 ; 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 . . 30416 1 2 . . H 1 H . . 10.0 ppm . . . 5.0 . . 30416 1 stop_ save_