data_30434 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30434 _Entry.Title ; CSP2-l14 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-12 _Entry.Accession_date 2018-03-12 _Entry.Last_release_date 2018-07-17 _Entry.Original_release_date 2018-07-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30434 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. . . . 30434 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CSP . 30434 'SIGNALING PROTEIN' . 30434 pneumococcus . 30434 'quorum sensing' . 30434 'signaling molecule' . 30434 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30434 spectral_peak_list 1 30434 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 30 30434 '15N chemical shifts' 15 30434 '1H chemical shifts' 124 30434 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' 30434 1 . . 2018-08-22 2018-03-12 original author 'original release' 30434 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30432 CSP2-d10 30434 BMRB 30433 CSP2-E1Ad10 30434 PDB 6COV . 30434 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30434 _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. . . . 30434 1 2 G. Cornilescu G. . . . 30434 1 3 Y. Tal-Gan Y. . . . 30434 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30434 _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 . . . . . . 30434 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30434 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Competence-stimulating peptide type 2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EMRISRIILDFLFLRKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 25-41' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2183.726 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CSP-2 na 30434 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 . 30434 1 2 . MET . 30434 1 3 . ARG . 30434 1 4 . ILE . 30434 1 5 . SER . 30434 1 6 . ARG . 30434 1 7 . ILE . 30434 1 8 . ILE . 30434 1 9 . LEU . 30434 1 10 . ASP . 30434 1 11 . PHE . 30434 1 12 . LEU . 30434 1 13 . PHE . 30434 1 14 . LEU . 30434 1 15 . ARG . 30434 1 16 . LYS . 30434 1 17 . LYS . 30434 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 30434 1 . MET 2 2 30434 1 . ARG 3 3 30434 1 . ILE 4 4 30434 1 . SER 5 5 30434 1 . ARG 6 6 30434 1 . ILE 7 7 30434 1 . ILE 8 8 30434 1 . LEU 9 9 30434 1 . ASP 10 10 30434 1 . PHE 11 11 30434 1 . LEU 12 12 30434 1 . PHE 13 13 30434 1 . LEU 14 14 30434 1 . ARG 15 15 30434 1 . LYS 16 16 30434 1 . LYS 17 17 30434 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 30434 _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 . . . . . . . . . . . . . 30434 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 30434 _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' . . . . . . . . . . . . . . . . 30434 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30434 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 mM D DPC, 1.9 mM Competence stimulating peptide type 2 mutant - CSP2l14, 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 . . . . 30434 1 2 'Competence stimulating peptide type 2 mutant - CSP2l14' 'natural abundance' . . 1 $entity_1 . . 1.9 . . mM . . . . 30434 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 30434 _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 30434 1 pH 7.4 . pH 30434 1 pressure 1 . atm 30434 1 temperature 298 . K 30434 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30434 _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' . . 30434 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30434 1 'structure calculation' 30434 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30434 _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 . . 30434 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30434 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 30434 _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 30434 _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 . . . 30434 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 30434 _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 . . . . . . . . . . . . . . . . 30434 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30434 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30434 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30434 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30434 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 30434 _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 . . . . . 30434 1 H 1 water protons . . . . ppm 4.771 na direct 1.000000000 . . . . . 30434 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 30434 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 30434 _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' . . . 30434 1 2 '2D 1H-1H TOCSY' . . . 30434 1 3 '2D 1H-1H NOESY' . . . 30434 1 4 '2D 1H-15N HSQC' . . . 30434 1 5 '2D 1H-13C HSQC' . . . 30434 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 4.475 0.00 . . . . . . A 2 MET HA . 30434 1 2 . 1 1 2 2 MET HB2 H 1 2.030 0.00 . . . . . . A 2 MET HB2 . 30434 1 3 . 1 1 2 2 MET HG2 H 1 2.565 0.00 . . . . . . A 2 MET HG2 . 30434 1 4 . 1 1 2 2 MET HG3 H 1 2.480 0.00 . . . . . . A 2 MET HG3 . 30434 1 5 . 1 1 2 2 MET CA C 13 53.088 0.00 . . . . . . A 2 MET CA . 30434 1 6 . 1 1 3 3 ARG H H 1 8.628 0.00 . . . . . . A 3 ARG H . 30434 1 7 . 1 1 3 3 ARG HA H 1 4.411 0.00 . . . . . . A 3 ARG HA . 30434 1 8 . 1 1 3 3 ARG HB2 H 1 1.938 0.00 . . . . . . A 3 ARG HB2 . 30434 1 9 . 1 1 3 3 ARG HB3 H 1 1.788 0.00 . . . . . . A 3 ARG HB3 . 30434 1 10 . 1 1 3 3 ARG HG2 H 1 1.658 0.00 . . . . . . A 3 ARG HG2 . 30434 1 11 . 1 1 3 3 ARG HG3 H 1 1.563 0.00 . . . . . . A 3 ARG HG3 . 30434 1 12 . 1 1 3 3 ARG HD2 H 1 3.181 0.00 . . . . . . A 3 ARG HD2 . 30434 1 13 . 1 1 3 3 ARG HE H 1 7.435 0.00 . . . . . . A 3 ARG HE . 30434 1 14 . 1 1 3 3 ARG CA C 13 53.863 0.00 . . . . . . A 3 ARG CA . 30434 1 15 . 1 1 3 3 ARG CB C 13 27.938 0.00 . . . . . . A 3 ARG CB . 30434 1 16 . 1 1 3 3 ARG N N 15 124.309 0.00 . . . . . . A 3 ARG N . 30434 1 17 . 1 1 4 4 ILE H H 1 8.946 0.00 . . . . . . A 4 ILE H . 30434 1 18 . 1 1 4 4 ILE HA H 1 3.784 0.00 . . . . . . A 4 ILE HA . 30434 1 19 . 1 1 4 4 ILE HB H 1 1.943 0.00 . . . . . . A 4 ILE HB . 30434 1 20 . 1 1 4 4 ILE HG12 H 1 1.243 0.00 . . . . . . A 4 ILE HG12 . 30434 1 21 . 1 1 4 4 ILE HG21 H 1 0.880 0.00 . . . . . . A 4 ILE HG21 . 30434 1 22 . 1 1 4 4 ILE HG22 H 1 0.880 0.00 . . . . . . A 4 ILE HG22 . 30434 1 23 . 1 1 4 4 ILE HG23 H 1 0.880 0.00 . . . . . . A 4 ILE HG23 . 30434 1 24 . 1 1 4 4 ILE HD11 H 1 0.826 0.00 . . . . . . A 4 ILE HD11 . 30434 1 25 . 1 1 4 4 ILE HD12 H 1 0.826 0.00 . . . . . . A 4 ILE HD12 . 30434 1 26 . 1 1 4 4 ILE HD13 H 1 0.826 0.00 . . . . . . A 4 ILE HD13 . 30434 1 27 . 1 1 4 4 ILE CA C 13 61.128 0.00 . . . . . . A 4 ILE CA . 30434 1 28 . 1 1 4 4 ILE CB C 13 34.873 0.00 . . . . . . A 4 ILE CB . 30434 1 29 . 1 1 4 4 ILE N N 15 122.418 0.00 . . . . . . A 4 ILE N . 30434 1 30 . 1 1 5 5 SER H H 1 8.467 0.00 . . . . . . A 5 SER H . 30434 1 31 . 1 1 5 5 SER HA H 1 3.865 0.00 . . . . . . A 5 SER HA . 30434 1 32 . 1 1 5 5 SER HB2 H 1 3.814 0.00 . . . . . . A 5 SER HB2 . 30434 1 33 . 1 1 5 5 SER HB3 H 1 3.786 0.00 . . . . . . A 5 SER HB3 . 30434 1 34 . 1 1 5 5 SER CA C 13 59.152 0.00 . . . . . . A 5 SER CA . 30434 1 35 . 1 1 5 5 SER CB C 13 59.594 0.00 . . . . . . A 5 SER CB . 30434 1 36 . 1 1 5 5 SER N N 15 115.260 0.00 . . . . . . A 5 SER N . 30434 1 37 . 1 1 6 6 ARG H H 1 7.185 0.01 . . . . . . A 6 ARG H . 30434 1 38 . 1 1 6 6 ARG HA H 1 3.973 0.00 . . . . . . A 6 ARG HA . 30434 1 39 . 1 1 6 6 ARG HB2 H 1 1.999 0.00 . . . . . . A 6 ARG HB2 . 30434 1 40 . 1 1 6 6 ARG HB3 H 1 1.867 0.00 . . . . . . A 6 ARG HB3 . 30434 1 41 . 1 1 6 6 ARG HG2 H 1 1.693 0.00 . . . . . . A 6 ARG HG2 . 30434 1 42 . 1 1 6 6 ARG HG3 H 1 1.635 0.00 . . . . . . A 6 ARG HG3 . 30434 1 43 . 1 1 6 6 ARG HD2 H 1 3.180 0.00 . . . . . . A 6 ARG HD2 . 30434 1 44 . 1 1 6 6 ARG HE H 1 7.500 0.00 . . . . . . A 6 ARG HE . 30434 1 45 . 1 1 6 6 ARG CA C 13 55.765 0.00 . . . . . . A 6 ARG CA . 30434 1 46 . 1 1 6 6 ARG CB C 13 27.427 0.00 . . . . . . A 6 ARG CB . 30434 1 47 . 1 1 6 6 ARG N N 15 121.196 0.00 . . . . . . A 6 ARG N . 30434 1 48 . 1 1 7 7 ILE H H 1 7.650 0.00 . . . . . . A 7 ILE H . 30434 1 49 . 1 1 7 7 ILE HA H 1 3.822 0.00 . . . . . . A 7 ILE HA . 30434 1 50 . 1 1 7 7 ILE HB H 1 1.959 0.00 . . . . . . A 7 ILE HB . 30434 1 51 . 1 1 7 7 ILE HG12 H 1 1.695 0.00 . . . . . . A 7 ILE HG12 . 30434 1 52 . 1 1 7 7 ILE HG13 H 1 1.174 0.00 . . . . . . A 7 ILE HG13 . 30434 1 53 . 1 1 7 7 ILE HG21 H 1 0.884 0.00 . . . . . . A 7 ILE HG21 . 30434 1 54 . 1 1 7 7 ILE HG22 H 1 0.884 0.00 . . . . . . A 7 ILE HG22 . 30434 1 55 . 1 1 7 7 ILE HG23 H 1 0.884 0.00 . . . . . . A 7 ILE HG23 . 30434 1 56 . 1 1 7 7 ILE HD11 H 1 0.827 0.00 . . . . . . A 7 ILE HD11 . 30434 1 57 . 1 1 7 7 ILE HD12 H 1 0.827 0.00 . . . . . . A 7 ILE HD12 . 30434 1 58 . 1 1 7 7 ILE HD13 H 1 0.827 0.00 . . . . . . A 7 ILE HD13 . 30434 1 59 . 1 1 7 7 ILE CA C 13 61.996 0.00 . . . . . . A 7 ILE CA . 30434 1 60 . 1 1 7 7 ILE CB C 13 35.549 0.00 . . . . . . A 7 ILE CB . 30434 1 61 . 1 1 7 7 ILE N N 15 118.886 0.00 . . . . . . A 7 ILE N . 30434 1 62 . 1 1 8 8 ILE H H 1 7.870 0.00 . . . . . . A 8 ILE H . 30434 1 63 . 1 1 8 8 ILE HA H 1 3.655 0.00 . . . . . . A 8 ILE HA . 30434 1 64 . 1 1 8 8 ILE HB H 1 1.876 0.00 . . . . . . A 8 ILE HB . 30434 1 65 . 1 1 8 8 ILE HG12 H 1 1.802 0.00 . . . . . . A 8 ILE HG12 . 30434 1 66 . 1 1 8 8 ILE HG13 H 1 0.997 0.00 . . . . . . A 8 ILE HG13 . 30434 1 67 . 1 1 8 8 ILE HG21 H 1 0.861 0.00 . . . . . . A 8 ILE HG21 . 30434 1 68 . 1 1 8 8 ILE HG22 H 1 0.861 0.00 . . . . . . A 8 ILE HG22 . 30434 1 69 . 1 1 8 8 ILE HG23 H 1 0.861 0.00 . . . . . . A 8 ILE HG23 . 30434 1 70 . 1 1 8 8 ILE HD11 H 1 0.767 0.00 . . . . . . A 8 ILE HD11 . 30434 1 71 . 1 1 8 8 ILE HD12 H 1 0.767 0.00 . . . . . . A 8 ILE HD12 . 30434 1 72 . 1 1 8 8 ILE HD13 H 1 0.767 0.00 . . . . . . A 8 ILE HD13 . 30434 1 73 . 1 1 8 8 ILE CA C 13 62.856 0.00 . . . . . . A 8 ILE CA . 30434 1 74 . 1 1 8 8 ILE CB C 13 35.312 0.00 . . . . . . A 8 ILE CB . 30434 1 75 . 1 1 8 8 ILE N N 15 118.351 0.00 . . . . . . A 8 ILE N . 30434 1 76 . 1 1 9 9 LEU H H 1 8.141 0.00 . . . . . . A 9 LEU H . 30434 1 77 . 1 1 9 9 LEU HA H 1 3.970 0.00 . . . . . . A 9 LEU HA . 30434 1 78 . 1 1 9 9 LEU HB2 H 1 1.878 0.00 . . . . . . A 9 LEU HB2 . 30434 1 79 . 1 1 9 9 LEU HB3 H 1 1.506 0.00 . . . . . . A 9 LEU HB3 . 30434 1 80 . 1 1 9 9 LEU HG H 1 1.835 0.00 . . . . . . A 9 LEU HG . 30434 1 81 . 1 1 9 9 LEU HD11 H 1 0.870 0.00 . . . . . . A 9 LEU HD11 . 30434 1 82 . 1 1 9 9 LEU HD12 H 1 0.870 0.00 . . . . . . A 9 LEU HD12 . 30434 1 83 . 1 1 9 9 LEU HD13 H 1 0.870 0.00 . . . . . . A 9 LEU HD13 . 30434 1 84 . 1 1 9 9 LEU HD21 H 1 0.770 0.00 . . . . . . A 9 LEU HD21 . 30434 1 85 . 1 1 9 9 LEU HD22 H 1 0.770 0.00 . . . . . . A 9 LEU HD22 . 30434 1 86 . 1 1 9 9 LEU HD23 H 1 0.770 0.00 . . . . . . A 9 LEU HD23 . 30434 1 87 . 1 1 9 9 LEU CB C 13 38.887 0.00 . . . . . . A 9 LEU CB . 30434 1 88 . 1 1 9 9 LEU N N 15 119.283 0.00 . . . . . . A 9 LEU N . 30434 1 89 . 1 1 10 10 ASP H H 1 8.550 0.00 . . . . . . A 10 ASP H . 30434 1 90 . 1 1 10 10 ASP HA H 1 4.352 0.00 . . . . . . A 10 ASP HA . 30434 1 91 . 1 1 10 10 ASP HB2 H 1 2.889 0.01 . . . . . . A 10 ASP HB2 . 30434 1 92 . 1 1 10 10 ASP HB3 H 1 2.567 0.00 . . . . . . A 10 ASP HB3 . 30434 1 93 . 1 1 10 10 ASP CA C 13 54.856 0.00 . . . . . . A 10 ASP CA . 30434 1 94 . 1 1 10 10 ASP CB C 13 37.197 0.00 . . . . . . A 10 ASP CB . 30434 1 95 . 1 1 10 10 ASP N N 15 118.327 0.00 . . . . . . A 10 ASP N . 30434 1 96 . 1 1 11 11 PHE H H 1 7.727 0.00 . . . . . . A 11 PHE H . 30434 1 97 . 1 1 11 11 PHE HA H 1 4.361 0.00 . . . . . . A 11 PHE HA . 30434 1 98 . 1 1 11 11 PHE HB2 H 1 3.234 0.00 . . . . . . A 11 PHE HB2 . 30434 1 99 . 1 1 11 11 PHE HB3 H 1 3.174 0.00 . . . . . . A 11 PHE HB3 . 30434 1 100 . 1 1 11 11 PHE HE2 H 1 7.195 0.00 . . . . . . A 11 PHE HE2 . 30434 1 101 . 1 1 11 11 PHE CA C 13 58.315 0.00 . . . . . . A 11 PHE CA . 30434 1 102 . 1 1 11 11 PHE CB C 13 36.983 0.00 . . . . . . A 11 PHE CB . 30434 1 103 . 1 1 11 11 PHE N N 15 119.355 0.00 . . . . . . A 11 PHE N . 30434 1 104 . 1 1 12 12 LEU H H 1 8.193 0.00 . . . . . . A 12 LEU H . 30434 1 105 . 1 1 12 12 LEU HA H 1 3.773 0.00 . . . . . . A 12 LEU HA . 30434 1 106 . 1 1 12 12 LEU HB2 H 1 1.633 0.00 . . . . . . A 12 LEU HB2 . 30434 1 107 . 1 1 12 12 LEU HB3 H 1 1.078 0.00 . . . . . . A 12 LEU HB3 . 30434 1 108 . 1 1 12 12 LEU HG H 1 1.827 0.00 . . . . . . A 12 LEU HG . 30434 1 109 . 1 1 12 12 LEU HD11 H 1 0.869 0.00 . . . . . . A 12 LEU HD11 . 30434 1 110 . 1 1 12 12 LEU HD12 H 1 0.869 0.00 . . . . . . A 12 LEU HD12 . 30434 1 111 . 1 1 12 12 LEU HD13 H 1 0.869 0.00 . . . . . . A 12 LEU HD13 . 30434 1 112 . 1 1 12 12 LEU HD21 H 1 0.765 0.00 . . . . . . A 12 LEU HD21 . 30434 1 113 . 1 1 12 12 LEU HD22 H 1 0.765 0.00 . . . . . . A 12 LEU HD22 . 30434 1 114 . 1 1 12 12 LEU HD23 H 1 0.765 0.00 . . . . . . A 12 LEU HD23 . 30434 1 115 . 1 1 12 12 LEU CA C 13 54.529 0.00 . . . . . . A 12 LEU CA . 30434 1 116 . 1 1 12 12 LEU CB C 13 39.757 0.00 . . . . . . A 12 LEU CB . 30434 1 117 . 1 1 12 12 LEU N N 15 117.058 0.00 . . . . . . A 12 LEU N . 30434 1 118 . 1 1 13 13 PHE H H 1 7.829 0.00 . . . . . . A 13 PHE H . 30434 1 119 . 1 1 13 13 PHE HA H 1 4.536 0.00 . . . . . . A 13 PHE HA . 30434 1 120 . 1 1 13 13 PHE HB2 H 1 3.288 0.00 . . . . . . A 13 PHE HB2 . 30434 1 121 . 1 1 13 13 PHE HB3 H 1 2.905 0.00 . . . . . . A 13 PHE HB3 . 30434 1 122 . 1 1 13 13 PHE HD2 H 1 7.224 0.00 . . . . . . A 13 PHE HD2 . 30434 1 123 . 1 1 13 13 PHE HE2 H 1 7.368 0.00 . . . . . . A 13 PHE HE2 . 30434 1 124 . 1 1 13 13 PHE CA C 13 55.001 0.00 . . . . . . A 13 PHE CA . 30434 1 125 . 1 1 13 13 PHE CB C 13 36.544 0.00 . . . . . . A 13 PHE CB . 30434 1 126 . 1 1 13 13 PHE N N 15 111.820 0.00 . . . . . . A 13 PHE N . 30434 1 127 . 1 1 14 14 LEU H H 1 7.628 0.00 . . . . . . A 14 DLE H . 30434 1 128 . 1 1 14 14 LEU N N 15 122.659 0.00 . . . . . . A 14 DLE N . 30434 1 129 . 1 1 14 14 LEU CA C 13 54.573 0.00 . . . . . . A 14 DLE CA . 30434 1 130 . 1 1 14 14 LEU CB C 13 39.594 0.00 . . . . . . A 14 DLE CB . 30434 1 131 . 1 1 14 14 LEU HA H 1 4.035 0.00 . . . . . . A 14 DLE HA . 30434 1 132 . 1 1 14 14 LEU HB2 H 1 1.744 0.00 . . . . . . A 14 DLE HB2 . 30434 1 133 . 1 1 14 14 LEU HB3 H 1 1.550 0.00 . . . . . . A 14 DLE HB3 . 30434 1 134 . 1 1 14 14 LEU HD11 H 1 0.810 0.00 . . . . . . A 14 DLE HD11 . 30434 1 135 . 1 1 14 14 LEU HD12 H 1 0.810 0.00 . . . . . . A 14 DLE HD12 . 30434 1 136 . 1 1 14 14 LEU HD13 H 1 0.810 0.00 . . . . . . A 14 DLE HD13 . 30434 1 137 . 1 1 14 14 LEU HD21 H 1 0.761 0.00 . . . . . . A 14 DLE HD21 . 30434 1 138 . 1 1 14 14 LEU HD22 H 1 0.761 0.00 . . . . . . A 14 DLE HD22 . 30434 1 139 . 1 1 14 14 LEU HD23 H 1 0.761 0.00 . . . . . . A 14 DLE HD23 . 30434 1 140 . 1 1 14 14 LEU HG H 1 1.512 0.00 . . . . . . A 14 DLE HG . 30434 1 141 . 1 1 15 15 ARG H H 1 8.341 0.00 . . . . . . A 15 ARG H . 30434 1 142 . 1 1 15 15 ARG HA H 1 4.232 0.00 . . . . . . A 15 ARG HA . 30434 1 143 . 1 1 15 15 ARG HB2 H 1 1.761 0.00 . . . . . . A 15 ARG HB2 . 30434 1 144 . 1 1 15 15 ARG HB3 H 1 1.702 0.00 . . . . . . A 15 ARG HB3 . 30434 1 145 . 1 1 15 15 ARG HG2 H 1 1.567 0.01 . . . . . . A 15 ARG HG2 . 30434 1 146 . 1 1 15 15 ARG HG3 H 1 1.510 0.00 . . . . . . A 15 ARG HG3 . 30434 1 147 . 1 1 15 15 ARG HD2 H 1 3.114 0.00 . . . . . . A 15 ARG HD2 . 30434 1 148 . 1 1 15 15 ARG HE H 1 7.401 0.00 . . . . . . A 15 ARG HE . 30434 1 149 . 1 1 15 15 ARG CA C 13 53.560 0.00 . . . . . . A 15 ARG CA . 30434 1 150 . 1 1 15 15 ARG CB C 13 27.705 0.00 . . . . . . A 15 ARG CB . 30434 1 151 . 1 1 15 15 ARG N N 15 117.404 0.00 . . . . . . A 15 ARG N . 30434 1 152 . 1 1 16 16 LYS H H 1 8.035 0.00 . . . . . . A 16 LYS H . 30434 1 153 . 1 1 16 16 LYS HA H 1 4.255 0.01 . . . . . . A 16 LYS HA . 30434 1 154 . 1 1 16 16 LYS HB2 H 1 1.753 0.00 . . . . . . A 16 LYS HB2 . 30434 1 155 . 1 1 16 16 LYS HB3 H 1 1.635 0.00 . . . . . . A 16 LYS HB3 . 30434 1 156 . 1 1 16 16 LYS HG2 H 1 1.358 0.00 . . . . . . A 16 LYS HG2 . 30434 1 157 . 1 1 16 16 LYS HG3 H 1 1.324 0.00 . . . . . . A 16 LYS HG3 . 30434 1 158 . 1 1 16 16 LYS HE2 H 1 2.909 0.00 . . . . . . A 16 LYS HE2 . 30434 1 159 . 1 1 16 16 LYS CA C 13 53.381 0.00 . . . . . . A 16 LYS CA . 30434 1 160 . 1 1 16 16 LYS CB C 13 30.927 0.00 . . . . . . A 16 LYS CB . 30434 1 161 . 1 1 16 16 LYS N N 15 122.455 0.00 . . . . . . A 16 LYS N . 30434 1 162 . 1 1 17 17 LYS H H 1 7.925 0.00 . . . . . . A 17 LYS H . 30434 1 163 . 1 1 17 17 LYS HA H 1 4.076 0.00 . . . . . . A 17 LYS HA . 30434 1 164 . 1 1 17 17 LYS HB2 H 1 1.744 0.01 . . . . . . A 17 LYS HB2 . 30434 1 165 . 1 1 17 17 LYS HB3 H 1 1.634 0.00 . . . . . . A 17 LYS HB3 . 30434 1 166 . 1 1 17 17 LYS HG2 H 1 1.319 0.00 . . . . . . A 17 LYS HG2 . 30434 1 167 . 1 1 17 17 LYS CA C 13 54.997 0.00 . . . . . . A 17 LYS CA . 30434 1 168 . 1 1 17 17 LYS CB C 13 30.983 0.00 . . . . . . A 17 LYS CB . 30434 1 169 . 1 1 17 17 LYS N N 15 128.017 0.00 . . . . . . A 17 LYS N . 30434 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 30434 _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-Arg3HB1 4.475 1.939 1.10e+009 ga Met2HA-Arg3HB2 4.475 1.785 9.28e+008 ga Met2HA-Arg3HG2 4.475 1.562 6.77e+008 ga Arg3HN-Met2HA 8.627 4.474 1.40e+009 ga Met2HA-Arg3HN 4.475 8.628 2.57e+009 ga Met2HA-Ile4HD# 4.475 0.827 1.74e+008 ga Met2HA-Ile4HG2# 4.472 0.882 1.64e+008 ga Met2HA-HB# 4.475 2.030 3.58e+009 ga Met2HB#-HA 2.031 4.472 2.19e+009 ga Arg3HN-Met2HB# 8.629 2.029 9.36e+008 ga Met2HB#-Arg3HN 2.030 8.628 9.93e+008 ga Met2HB#-Ser5HA 2.032 3.864 6.67e+009 ga Ser5HN-Met2HB# 8.465 2.028 1.03e+009 ga Met2HB#-Ser5HN 2.027 8.467 8.95e+008 ga Met2HG1-HA 2.572 4.474 5.51e+008 ga Met2HG1-HB# 2.564 2.028 3.12e+009 ga Met2HG1-Arg3HN 2.563 8.626 1.77e+008 ga Met2HG1-Ile4HD# 2.566 0.825 1.19e+009 ga Met2HG1-Ile4HG2# 2.560 0.880 4.47e+008 ga Met2HG2-HA 2.482 4.473 9.70e+008 ga Met2HG2-HB# 2.476 2.031 3.24e+009 ga Met2HG2-Arg3HN 2.478 8.629 2.60e+008 ga Met2HG2-Ile4HG2# 2.482 0.882 4.80e+008 ga Arg3HA-Met2HB# 4.411 2.029 2.64e+008 ga Arg3HN-HA 8.627 4.411 9.07e+008 ga Arg3HA-HN 4.412 8.627 9.21e+008 ga Arg3HA-Ile4HD# 4.411 0.829 1.75e+008 ga Ile4HN-Arg3HA 8.947 4.410 1.83e+009 ga Arg3HA-Ile4HN 4.410 8.946 2.58e+008 ga Arg3HA-Ser5HN 4.412 8.466 5.03e+008 ga Arg3HA-Arg6HB1 4.411 2.006 4.98e+008 ga Arg3HA-Arg6HB2 4.413 1.863 2.59e+009 ga Arg3HA-HB1 4.411 1.938 2.21e+009 ga Arg3HB1-HA 1.936 4.410 1.68e+009 ga Arg3HD#-HB1 3.182 1.938 1.66e+009 ga Arg3HB1-HD# 1.935 3.181 1.85e+009 ga Arg3HB1-HG2 1.939 1.562 4.11e+009 ga Arg3HN-HB1 8.629 1.937 8.66e+008 ga Arg3HB1-HN 1.936 8.627 9.41e+008 ga Arg3HA-HB2 4.412 1.787 1.35e+009 ga Arg3HB2-HA 1.786 4.410 1.12e+009 ga Arg3HB1-HB2 1.936 1.788 6.58e+009 ga Arg3HB2-HB1 1.790 1.936 6.21e+009 ga Arg3HD#-HB2 3.182 1.789 2.25e+009 ga Arg3HB2-HD# 1.789 3.181 2.70e+009 ga Arg3HN-HB2 8.629 1.787 8.50e+008 ga Arg3HB2-HN 1.789 8.627 9.21e+008 ga Arg3HA-HD# 4.411 3.181 9.35e+008 ga Arg3HD#-HA 3.182 4.410 5.79e+008 ga Arg3HD#-HE 3.182 7.435 3.35e+008 ga Arg3HN-HD# 8.628 3.182 3.13e+008 ga Arg3HD#-HN 3.181 8.627 2.58e+008 ga Arg3HD#-Ile7HN 3.181 7.651 2.84e+008 ga Arg3HA-HG1 4.412 1.658 1.64e+009 ga Arg3HG1-HA 1.660 4.411 1.21e+009 ga Arg3HG1-HB1 1.662 1.941 1.80e+009 ga Arg3HD#-HG1 3.181 1.653 8.36e+009 ga Arg3HG1-HD# 1.654 3.181 1.05e+010 ga Arg3HN-HG1 8.629 1.657 5.79e+008 ga Arg3HG1-HN 1.659 8.627 5.72e+008 ga Arg3HA-HG2 4.412 1.562 2.01e+009 ga Arg3HG2-HA 1.563 4.410 1.31e+009 ga Arg3HD#-HG2 3.182 1.560 3.04e+009 ga Arg3HG2-HD# 1.563 3.182 2.82e+009 ga Arg3HG2-HG1 1.563 1.661 5.95e+009 ga Arg3HN-HG2 8.629 1.560 4.76e+008 ga Arg3HG2-HN 1.564 8.628 4.81e+008 ga Ile4HA-Arg3HG2 3.784 1.565 1.53e+009 ga Arg3HG2-Ile4HA 1.564 3.784 1.93e+009 ga Arg3HG2-Ile4HB 1.565 1.941 3.65e+009 ga Arg3HG2-Ser5HA 1.564 3.865 4.78e+008 ga Ser5HN-Arg3HG2 8.466 1.561 3.96e+008 ga Arg3HG2-Ser5HN 1.565 8.465 4.00e+008 ga Arg3HN-Ile4HA 8.628 3.784 2.44e+008 ga Arg3HA-Ile4HA 4.410 3.784 3.06e+008 ga Ile4HA-Arg3HA 3.781 4.410 3.85e+008 ga Ile4HA-HB 3.785 1.946 3.18e+009 ga Ile4HB-HA 1.947 3.784 4.76e+009 ga Ile4HN-HB 8.946 1.940 3.15e+009 ga Ile4HB-HN 1.942 8.945 2.47e+008 ga Ser5HA-Ile4HB 3.865 1.942 3.93e+008 ga Ile4HB-Ser5HA 1.943 3.864 3.94e+008 ga Ser5HN-Ile4HB 8.468 1.940 1.26e+009 ga Ile4HB-Ser5HN 1.941 8.467 1.50e+009 ga Met2HB#-Ile4HD# 2.029 0.827 7.37e+008 ga Ile4HD#-Met2HB# 0.828 2.030 5.79e+008 ga Ile4HD#-Arg3HD# 0.825 3.179 7.13e+008 ga Arg3HN-Ile4HD# 8.629 0.826 1.47e+008 ga Ile4HD#-Arg3HN 0.827 8.626 1.70e+008 ga Ile4HA-HD# 3.784 0.826 3.97e+009 ga Ile4HD#-HA 0.827 3.783 3.65e+009 ga Ile7HA-Ile4HD# 3.823 0.826 1.58e+009 ga Ile4HD#-Ile7HA 0.827 3.822 2.00e+009 ga Ile4HG12-Met2HB# 1.251 2.030 1.16e+010 ga Ile4HG12-Arg3HA 1.247 4.409 3.95e+008 ga Arg3HG2-Ile4HG12 1.565 1.242 7.11e+009 ga Ile4HG12-Arg3HG2 1.243 1.565 6.48e+009 ga Ile4HA-HG12 3.785 1.241 1.19e+009 ga Ile4HG12-HA 1.243 3.784 1.58e+009 ga Ile4HB-HG12 1.941 1.240 1.81e+009 ga Ile4HG12-HB 1.243 1.942 1.80e+009 ga Ile4HG12-Ser5HN 1.242 8.467 2.61e+008 ga Met2HB#-Ile4HG2# 2.030 0.879 1.43e+009 ga Ile4HG2#-Met2HB# 0.878 2.030 1.82e+009 ga Arg3HA-Ile4HG2# 4.411 0.884 7.74e+008 ga Ile4HG2#-Arg3HA 0.885 4.411 6.82e+008 ga Arg3HG2-Ile4HG2# 1.565 0.875 7.20e+009 ga Ile4HG2#-Arg3HG2 0.877 1.567 6.75e+009 ga Arg3HN-Ile4HG2# 8.628 0.883 2.65e+008 ga Ile4HG2#-Arg3HN 0.880 8.628 2.70e+008 ga Ile4HG12-HG2# 1.242 0.879 6.81e+009 ga Ile4HG2#-HG12 0.881 1.242 4.24e+009 ga Ile4HG2#-HN 0.880 8.946 2.88e+008 ga Ser5HA-Ile4HG2# 3.866 0.881 1.08e+009 ga Ile4HG2#-Ser5HA 0.875 3.865 2.83e+009 ga Ile4HN-Met2HB# 8.944 2.031 5.01e+008 ga Ile4HN-Arg3HB2 8.945 1.787 6.31e+008 ga Ile4HN-Arg3HD# 8.945 3.181 3.27e+008 ga Ile4HN-Arg3HG1 8.943 1.654 4.53e+008 ga Ile4HN-Arg3HG2 8.945 1.564 1.44e+009 ga Ile4HN-Arg3HN 8.945 8.627 3.94e+008 ga Ile4HN-HA 8.946 3.784 1.26e+009 ga Ile4HN-HD# 8.945 0.827 2.58e+008 ga Ile4HN-HG12 8.945 1.242 9.16e+008 ga Ile4HN-Ser5HA 8.952 3.865 1.63e+008 ga Ile4HN-Ser5HN 8.946 8.467 7.54e+008 ga Ile4HN-Ile7HA 8.951 3.820 1.74e+008 ga Ile4HN-Ile7HG2# 8.945 0.884 2.15e+009 ga Ser5HN-HA 8.468 3.865 1.14e+009 ga Ser5HA-HN 3.865 8.467 1.07e+009 ga Arg6HN-Ser5HA 7.183 3.865 6.42e+008 ga Ser5HA-Arg6HN 3.865 7.180 2.80e+008 ga Ile7HN-Ser5HA 7.652 3.865 2.99e+008 ga Ser5HA-Ile7HN 3.865 7.650 2.10e+008 ga Ser5HA-Ile8HG2# 3.866 0.863 4.11e+009 ga Ile8HN-Ser5HA 7.871 3.865 5.05e+008 ga Ser5HA-Ile8HN 3.866 7.870 4.12e+008 ga Ser5HA-Leu9HB1 3.866 1.877 1.22e+009 ga Leu9HN-Ser5HA 8.142 3.865 2.99e+008 ga Ser5HA-Leu9HN 3.866 8.141 2.65e+008 ga Ser5HN-HB1 8.468 3.813 2.18e+009 ga Ser5HB1-HN 3.811 8.466 1.98e+009 ga Ser5HN-HB2 8.468 3.789 1.01e+009 ga Ser5HB2-HN 3.793 8.466 9.64e+008 ga Ser5HB2-Arg6HB2 3.790 1.870 5.36e+009 ga Ile7HN-Ser5HB2 7.651 3.784 1.26e+009 ga Ser5HB2-Ile7HN 3.784 7.650 1.14e+009 ga Ile8HN-Ser5HB2 7.870 3.785 5.00e+008 ga Ser5HB2-Ile8HN 3.785 7.869 4.30e+008 ga Ser5HN-Arg6HB2 8.469 1.868 4.76e+008 ga Ser5HN-Ile7HN 8.470 7.649 1.35e+008 ga Arg6HA-HB2 3.972 1.871 8.22e+009 ga Arg6HA-HE 3.974 7.499 1.10e+008 ga Arg6HA-HG2 3.972 1.632 2.48e+009 ga Arg6HN-HA 7.186 3.973 1.49e+009 ga Arg6HA-HN 3.972 7.190 8.08e+008 ga Arg6HA-Ile7HG11 3.973 1.695 1.44e+009 ga Ile7HN-Arg6HA 7.651 3.973 7.07e+008 ga Arg6HA-Ile7HN 3.973 7.650 5.36e+008 ga Arg6HA-Ile8HN 3.972 7.870 3.47e+008 ga Arg6HB1-Ser5HA 2.000 3.863 8.59e+008 ga Arg6HA-HB1 3.974 1.999 1.84e+009 ga Arg6HB1-HA 1.998 3.973 2.52e+009 ga Arg6HD#-HB1 3.183 2.001 1.84e+009 ga Arg6HB1-HD# 1.999 3.179 2.30e+009 ga Arg6HB1-HE 1.996 7.500 1.31e+008 ga Arg6HN-HB1 7.179 1.999 1.47e+009 ga Arg6HB1-HN 1.998 7.181 9.14e+008 ga Arg6HB1-Ile7HN 1.995 7.650 1.31e+009 ga Arg6HD#-HB2 3.182 1.867 2.49e+009 ga Arg6HB2-HD# 1.867 3.176 3.07e+009 ga Arg6HB2-HE 1.865 7.499 1.72e+008 ga Arg6HN-HB2 7.183 1.863 1.18e+009 ga Arg6HB2-HN 1.863 7.185 1.19e+009 ga Ile7HN-Arg6HB2 7.651 1.868 6.46e+008 ga Arg6HB2-Ile7HN 1.870 7.650 6.56e+008 ga Arg6HD#-Ile4HD# 3.180 0.823 4.37e+008 ga Arg6HD#-Ser5HB2 3.179 3.779 3.16e+008 ga Arg6HA-HD# 3.973 3.177 2.59e+009 ga Arg6HD#-HA 3.184 3.972 2.14e+009 ga Arg6HE-HD# 7.502 3.183 7.35e+008 ga Arg6HD#-HE 3.183 7.500 7.91e+008 ga Ile7HA-Arg6HD# 3.823 3.175 2.49e+008 ga Arg6HD#-Ile7HA 3.181 3.821 3.04e+008 ga Arg6HD#-Leu9HD1# 3.179 0.871 1.31e+009 ga Arg6HG1-Ile4HD# 1.693 0.826 4.06e+009 ga Ser5HB2-Arg6HG1 3.785 1.691 9.30e+008 ga Arg6HG1-Ser5HB2 1.692 3.783 1.50e+009 ga Arg6HG1-HA 1.696 3.972 1.53e+009 ga Arg6HD#-HG1 3.183 1.692 1.35e+009 ga Arg6HG1-HD# 1.690 3.178 1.05e+009 ga Arg6HG1-HE 1.696 7.500 2.66e+008 ga Arg6HG1-Ile7HB 1.692 1.962 3.04e+009 ga Arg6HG1-Ile7HG12 1.692 1.174 4.27e+009 ga Arg6HG1-Ile7HG2# 1.693 0.885 2.34e+009 ga Arg6HG2-Ser5HA 1.635 3.866 1.50e+009 ga Arg6HG2-HB1 1.635 1.999 9.58e+008 ga Arg6HG2-HB2 1.635 1.866 1.43e+009 ga Arg6HG2-HE 1.635 7.499 2.72e+008 ga Ile7HN-Arg6HG2 7.648 1.635 7.93e+008 ga Arg6HG2-Ile7HN 1.637 7.649 4.23e+009 ga Asp10HN-Arg6HG2 8.548 1.636 2.20e+008 ga Arg6HG2-Asp10HN 1.635 8.551 1.87e+008 ga Arg6HN-Ile4HB 7.178 1.940 5.30e+008 ga Arg6HN-Ser5HN 7.180 8.468 6.04e+008 ga Arg6HN-Ile7HN 7.179 7.650 6.52e+008 ga Ile7HA-Arg6HG1 3.823 1.693 1.91e+009 ga Ile7HA-Arg6HG2 3.822 1.634 7.44e+008 ga Arg6HN-Ile7HA 7.190 3.820 1.41e+009 ga Ile7HA-Arg6HN 3.821 7.192 5.07e+009 ga Ile7HN-HA 7.651 3.823 1.57e+009 ga Ile7HA-HN 3.823 7.650 1.32e+009 ga Ile7HA-Ile8HG11 3.819 1.802 4.08e+008 ga Ile8HN-Ile7HA 7.871 3.822 8.01e+008 ga Ile7HA-Ile8HN 3.823 7.870 5.84e+008 ga Leu9HN-Ile7HA 8.142 3.820 3.36e+008 ga Ile7HA-Leu9HN 3.821 8.141 2.73e+008 ga Asp10HN-Ile7HA 8.550 3.823 6.18e+008 ga Ile7HA-Asp10HN 3.823 8.550 5.50e+008 ga Phe11HN-Ile7HA 7.728 3.822 3.20e+008 ga Ile7HA-Phe11HN 3.823 7.727 2.48e+008 ga Ile7HB-Ile4HD# 1.959 0.827 3.34e+009 ga Ile7HA-HB 3.823 1.960 2.23e+009 ga Ile7HB-HA 1.960 3.822 2.28e+009 ga Ile7HN-HB 7.651 1.959 2.54e+009 ga Ile7HB-HN 1.960 7.650 1.68e+009 ga Ile8HA-Ile7HB 3.655 1.960 4.34e+008 ga Ile7HB-Ile8HA 1.960 3.654 4.56e+008 ga Ile7HB-Ile8HD# 1.954 0.764 1.06e+009 ga Ile7HB-Ile8HG12 1.956 0.995 3.36e+008 ga Ile8HN-Ile7HB 7.870 1.959 1.14e+009 ga Ile7HB-Ile8HN 1.960 7.870 1.19e+009 ga Ile7HB-Leu9HN 1.956 8.135 2.42e+008 ga Ile7HD#-Arg6HG1 0.827 1.693 4.43e+009 ga Ile7HD#-HB 0.828 1.959 3.78e+009 ga Ile7HN-HD# 7.650 0.825 9.84e+008 ga Ile7HD#-HN 0.827 7.650 1.15e+009 ga Ile8HN-Ile7HD# 7.870 0.828 6.53e+008 ga Ile7HD#-Ile8HN 0.828 7.868 1.41e+008 ga Arg6HB1-Ile7HG11 1.998 1.695 5.22e+009 ga Ile7HG11-Arg6HB1 1.696 1.999 1.45e+009 ga Arg6HB2-Ile7HG11 1.866 1.694 3.12e+009 ga Ile7HG11-Arg6HB2 1.696 1.866 2.36e+009 ga Arg6HN-Ile7HG11 7.184 1.695 9.05e+008 ga Ile7HG11-Arg6HN 1.692 7.188 4.92e+008 ga Ile7HG11-HA 1.694 3.822 2.24e+009 ga Ile7HG11-HN 1.694 7.650 1.22e+009 ga Ile7HG11-Ile8HN 1.695 7.869 4.59e+008 ga Asp10HN-Ile7HG11 8.549 1.699 2.32e+008 ga Ile7HG11-Asp10HN 1.697 8.548 3.01e+008 ga Ile7HG12-Ser5HB2 1.172 3.784 1.20e+009 ga Ile7HG12-Arg6HN 1.171 7.197 2.08e+008 ga Ile7HA-HG12 3.823 1.173 2.41e+009 ga Ile7HG12-HA 1.174 3.822 2.63e+009 ga Ile7HG12-HB 1.176 1.961 7.54e+008 ga Ile7HG12-HG11 1.176 1.692 2.91e+009 ga Ile7HG12-HN 1.174 7.651 1.42e+009 ga Ile7HG12-Ile8HN 1.175 7.871 5.97e+008 ga Ile4HB-Ile7HG2# 1.948 0.885 9.05e+009 ga Ile7HG2#-Ile4HB 0.884 1.946 1.36e+010 ga Ser5HB2-Ile7HG2# 3.785 0.884 4.92e+009 ga Ile7HG2#-Ser5HB2 0.882 3.784 8.03e+009 ga Ser5HN-Ile7HG2# 8.469 0.884 1.27e+009 ga Ile7HG2#-Ser5HN 0.883 8.467 1.88e+009 ga Ile7HG2#-Arg6HN 0.883 7.195 1.93e+009 ga Ile7HA-HG2# 3.823 0.885 3.71e+009 ga Ile7HG2#-HA 0.885 3.822 5.70e+009 ga Ile7HG2#-HG11 0.885 1.693 3.68e+009 ga Ile7HN-HG2# 7.651 0.885 1.79e+009 ga Ile7HG2#-HN 0.885 7.650 2.28e+009 ga Ile8HN-Ile7HG2# 7.871 0.884 1.23e+009 ga Ile7HG2#-Ile8HN 0.881 7.870 1.40e+009 ga Phe11HB1-Ile7HG2# 3.237 0.884 1.30e+009 ga Ile7HG2#-Phe11HB1 0.879 3.233 1.62e+009 ga Ile7HN-Arg6HG1 7.650 1.694 1.58e+009 ga Ile7HN-Ile8HD# 7.647 0.766 7.06e+008 ga Ile8HN-Ile7HN 7.871 7.651 9.22e+008 ga Ile7HN-Ile8HN 7.651 7.869 8.06e+008 ga Leu9HN-Ile7HN 8.140 7.652 1.94e+008 ga Ile7HN-Leu9HN 7.651 8.141 1.28e+008 ga Ile8HA-Ile7HG2# 3.655 0.883 9.92e+008 ga Ile7HN-Ile8HA 7.650 3.655 2.91e+008 ga Ile8HA-Ile7HN 3.655 7.650 1.94e+008 ga Ile8HN-HA 7.871 3.655 1.38e+009 ga Ile8HA-HN 3.656 7.870 1.10e+009 ga Leu9HA-Ile8HA 3.970 3.657 4.64e+008 ga Ile8HA-Leu9HA 3.656 3.970 1.50e+008 ga Leu9HN-Ile8HA 8.142 3.655 5.80e+008 ga Ile8HA-Leu9HN 3.656 8.141 4.54e+008 ga Asp10HN-Ile8HA 8.550 3.656 2.34e+008 ga Ile8HA-Asp10HN 3.656 8.550 1.79e+008 ga Phe11HE#-Ile8HA 7.195 3.656 6.71e+008 ga Ile8HA-Phe11HE# 3.656 7.196 4.74e+008 ga Phe11HN-Ile8HA 7.728 3.654 6.14e+008 ga Ile8HA-Phe11HN 3.656 7.726 6.10e+008 ga Leu12HN-Ile8HA 8.195 3.655 3.91e+008 ga Ile8HA-Leu12HN 3.656 8.193 2.61e+008 ga Ile8HB-Ser5HA 1.878 3.865 1.55e+009 ga Ile8HB-Ser5HN 1.872 8.467 4.49e+008 ga Ile7HA-Ile8HB 3.821 1.873 6.37e+008 ga Ile8HB-Ile7HA 1.873 3.818 2.23e+009 ga Ile8HB-HD# 1.879 0.767 3.12e+009 ga Ile8HB-HN 1.879 7.870 2.29e+009 ga Ile8HB-Asp10HB1 1.874 2.893 8.13e+008 ga Ile8HB-Phe13HD# 1.874 7.222 5.91e+007 ga Ile8HD#-Ile4HB 0.767 1.944 1.27e+009 ga Ser5HA-Ile8HD# 3.866 0.767 1.25e+009 ga Ile8HD#-Ser5HA 0.768 3.865 1.80e+009 ga Ile8HD#-Ser5HN 0.771 8.466 2.29e+008 ga Ile7HA-Ile8HD# 3.818 0.768 6.36e+008 ga Ile8HD#-Ile7HA 0.768 3.814 1.39e+009 ga Ile8HA-HD# 3.656 0.766 1.71e+009 ga Ile8HD#-HA 0.768 3.654 3.08e+009 ga Ile8HD#-HG12 0.767 1.000 3.78e+009 ga Ile8HN-HD# 7.870 0.766 1.21e+009 ga Ile8HD#-HN 0.768 7.870 1.48e+009 ga Ile8HD#-Leu9HB1 0.768 1.877 2.49e+009 ga Ser5HA-Ile8HG11 3.866 1.807 7.47e+008 ga Ile8HG11-Ser5HA 1.799 3.864 5.43e+008 ga Ile8HG11-Ser5HN 1.798 8.462 5.33e+008 ga Ile7HN-Ile8HG11 7.650 1.801 4.71e+009 ga Ile8HG11-Ile7HN 1.798 7.649 1.25e+010 ga Ile8HA-HG11 3.655 1.803 2.08e+009 ga Ile8HG11-HA 1.803 3.654 2.64e+009 ga Ile8HN-HG11 7.871 1.803 1.81e+009 ga Ile8HG11-HN 1.803 7.870 1.78e+009 ga Ser5HA-Ile8HG12 3.866 0.996 2.26e+008 ga Ile8HG12-Ser5HA 0.995 3.864 3.78e+008 ga Ile8HG12-Ile7HN 0.997 7.647 1.65e+008 ga Ile8HA-HG12 3.656 0.996 1.85e+009 ga Ile8HG12-HA 0.997 3.654 2.59e+009 ga Ile8HG11-HG12 1.802 0.996 4.15e+009 ga Ile8HG12-HG11 0.997 1.802 4.65e+009 ga Ile8HN-HG12 7.871 0.996 1.09e+009 ga Ile8HG12-HN 0.997 7.870 1.39e+009 ga Leu9HB1-Ile8HG12 1.879 0.996 1.35e+009 ga Ile8HG12-Leu9HB1 0.997 1.878 1.64e+009 ga Ile8HG12-Leu9HN 0.998 8.140 3.48e+008 ga Ile8HA-HG2# 3.655 0.859 3.24e+009 ga Ile8HG2#-HA 0.860 3.654 6.20e+009 ga Ile8HG2#-HG12 0.854 0.996 1.04e+009 ga Ile8HN-HG2# 7.871 0.860 1.35e+009 ga Ile8HG2#-HN 0.864 7.870 2.15e+009 ga Ile8HG2#-Asp10HA 0.866 4.352 8.50e+008 ga Ile8HN-Arg6HG1 7.871 1.693 4.08e+008 ga Ile8HN-Leu9HA 7.870 3.971 4.38e+008 ga Ile8HN-Leu9HB1 7.871 1.878 2.31e+009 ga Leu9HN-Ile8HN 8.141 7.870 8.83e+008 ga Ile8HN-Leu9HN 7.871 8.141 7.80e+008 ga Asp10HN-Ile8HN 8.548 7.870 3.67e+008 ga Ile8HN-Asp10HN 7.871 8.549 1.28e+008 ga Leu9HN-HA 8.142 3.971 1.87e+009 ga Leu9HA-HN 3.971 8.141 1.72e+009 ga Asp10HN-Leu9HA 8.550 3.971 8.87e+008 ga Leu9HA-Asp10HN 3.971 8.550 8.74e+008 ga Phe11HN-Leu9HA 7.728 3.969 3.26e+008 ga Leu9HA-Phe11HN 3.970 7.727 2.97e+008 ga Leu12HN-Leu9HA 8.193 3.969 7.54e+008 ga Leu9HA-Leu12HN 3.970 8.192 6.53e+008 ga Leu9HA-Phe13HB1 3.967 3.290 5.23e+008 ga Phe13HD#-Leu9HA 7.225 3.970 2.65e+008 ga Leu9HA-Phe13HD# 3.970 7.224 1.40e+008 ga Phe13HE#-Leu9HA 7.369 3.969 5.80e+008 ga Leu9HA-Phe13HE# 3.970 7.368 6.91e+008 ga Phe13HN-Leu9HA 7.829 3.970 4.61e+008 ga Leu9HA-Phe13HN 3.970 7.828 4.15e+008 ga Ile8HA-Leu9HB1 3.655 1.879 1.59e+009 ga Leu9HB1-Ile8HA 1.879 3.654 2.10e+009 ga Leu9HB1-HA 1.872 3.972 5.24e+009 ga Leu9HB1-HD1# 1.877 0.866 1.04e+010 ga Leu9HN-HB1 8.142 1.877 2.25e+009 ga Leu9HB1-HN 1.878 8.141 2.72e+009 ga Asp10HN-Leu9HB1 8.550 1.878 2.20e+009 ga Leu9HB1-Asp10HN 1.878 8.549 1.07e+009 ga Leu9HB1-Phe11HN 1.878 7.726 2.51e+008 ga Phe13HE#-Leu9HB1 7.369 1.879 2.57e+008 ga Leu9HB1-Phe13HE# 1.877 7.368 2.87e+008 ga Leu9HB2-Ile8HD# 1.508 0.768 9.84e+008 ga Leu9HA-HB2 3.971 1.505 3.14e+009 ga Leu9HB2-HA 1.506 3.970 3.46e+009 ga Leu9HB2-HB1 1.506 1.877 3.91e+009 ga Leu9HN-HB2 8.141 1.505 1.33e+009 ga Leu9HB2-HN 1.506 8.141 1.33e+009 ga Asp10HN-Leu9HB2 8.550 1.504 7.18e+008 ga Leu9HB2-Asp10HN 1.506 8.549 8.53e+008 ga Leu9HB2-Phe11HN 1.507 7.727 2.54e+008 ga Leu9HB2-Leu12HA 1.509 3.769 8.59e+007 ga Leu9HB2-Leu12HN 1.507 8.191 4.64e+008 ga Leu9HA-HD1# 3.970 0.870 6.84e+009 ga Leu9HD1#-HA 0.870 3.970 9.63e+009 ga Leu9HB2-HD1# 1.506 0.870 5.29e+009 ga Leu9HD1#-HB2 0.870 1.504 6.05e+009 ga Leu9HN-HD1# 8.142 0.868 3.01e+009 ga Leu9HD1#-HN 0.868 8.141 3.69e+009 ga Leu9HD1#-Asp10HB1 0.873 2.891 1.17e+009 ga Asp10HN-Leu9HD1# 8.550 0.870 1.01e+009 ga Leu9HD1#-Asp10HN 0.871 8.549 1.43e+009 ga Leu9HD1#-Phe11HB2 0.872 3.177 2.44e+009 ga Leu9HA-HD2# 3.970 0.770 1.73e+009 ga Leu9HD2#-HA 0.769 3.969 2.71e+009 ga Leu9HD2#-HN 0.769 8.141 1.16e+009 ga Leu9HD2#-Asp10HN 0.770 8.549 2.39e+008 ga Leu9HD2#-Phe13HB1 0.773 3.291 7.91e+008 ga Leu9HG-HA 1.837 3.970 4.61e+009 ga Leu9HG-HD1# 1.834 0.870 1.05e+010 ga Leu9HN-HG 8.141 1.835 2.84e+009 ga Leu9HG-HN 1.835 8.141 2.68e+009 ga Leu9HN-Ser5HB2 8.142 3.788 1.35e+008 ga Leu9HN-Ile8HD# 8.142 0.767 7.03e+008 ga Asp10HN-Leu9HN 8.550 8.141 9.07e+008 ga Leu9HN-Asp10HN 8.142 8.549 9.67e+008 ga Asp10HA-Ile7HA 4.352 3.823 2.30e+008 ga Asp10HA-Leu9HA 4.352 3.971 1.93e+008 ga Asp10HA-Leu9HB1 4.353 1.876 5.45e+008 ga Asp10HA-Leu9HB2 4.354 1.508 1.13e+009 ga Asp10HA-Leu9HD1# 4.353 0.873 6.66e+008 ga Leu9HN-Asp10HA 8.142 4.352 1.58e+008 ga Asp10HA-Leu9HN 4.352 8.141 4.68e+008 ga Asp10HN-HA 8.550 4.350 1.28e+009 ga Asp10HA-HN 4.351 8.549 1.53e+009 ga Asp10HA-Leu12HB1 4.356 1.633 2.63e+009 ga Asp10HA-Phe13HE# 4.352 7.368 2.51e+008 ga Phe13HN-Asp10HA 7.829 4.352 6.49e+008 ga Asp10HA-Phe13HN 4.354 7.828 5.76e+008 ga Asp10HA-Leu14HB2 4.356 1.558 9.65e+008 ga Asp10HA-Arg15HE 4.351 7.402 1.78e+008 ga Arg15HN-Asp10HA 8.340 4.351 1.08e+009 ga Asp10HA-Arg15HN 4.353 8.340 9.04e+008 ga Lys16HN-Asp10HA 8.038 4.354 2.64e+008 ga Asp10HA-Lys16HN 4.354 8.031 2.34e+008 ga Ile7HA-Asp10HB1 3.824 2.885 8.81e+008 ga Asp10HB1-Ile7HA 2.885 3.823 9.86e+008 ga Asp10HB1-Ile7HG11 2.889 1.699 7.10e+008 ga Asp10HB1-Leu9HA 2.887 3.970 3.58e+008 ga Asp10HB1-Leu9HN 2.886 8.142 1.78e+008 ga Asp10HA-HB1 4.350 2.886 1.89e+009 ga Asp10HB1-HA 2.887 4.349 2.16e+009 ga Asp10HN-HB1 8.550 2.885 1.40e+009 ga Asp10HB1-HN 2.886 8.549 1.89e+009 ga Asp10HB1-Phe11HE# 2.905 7.196 3.94e+008 ga Phe11HN-Asp10HB1 7.727 2.886 7.97e+008 ga Asp10HB1-Phe11HN 2.887 7.727 1.09e+009 ga Asp10HB1-Leu12HD1# 2.895 0.869 1.88e+009 ga Asp10HB2-Ile7HA 2.567 3.822 1.05e+009 ga Asp10HB2-Leu9HA 2.575 3.972 5.27e+008 ga Asp10HB2-HA 2.568 4.349 2.10e+009 ga Asp10HB2-HB1 2.565 2.884 3.95e+009 ga Asp10HB2-HN 2.565 8.549 1.61e+009 ga Asp10HB2-Phe11HE# 2.563 7.195 1.75e+008 ga Asp10HB2-Phe11HN 2.565 7.727 9.15e+008 ga Asp10HB2-Leu12HB1 2.562 1.633 1.71e+008 ga Asp10HB2-Arg15HB1 2.564 1.761 5.39e+008 ga Asp10HB2-Arg15HB2 2.563 1.699 7.73e+008 ga Asp10HB2-Arg15HG1 2.564 1.569 3.76e+008 ga Asp10HB2-Arg15HN 2.565 8.341 2.56e+008 ga Phe11HA-Ile8HA 4.361 3.656 2.19e+008 ga Phe11HA-HE# 4.363 7.195 1.95e+009 ga Phe11HN-HA 7.727 4.361 1.76e+009 ga Phe11HA-HN 4.361 7.727 2.09e+009 ga Phe11HA-Leu12HG 4.360 1.826 2.95e+008 ga Leu12HN-Phe11HA 8.194 4.361 8.33e+008 ga Phe11HA-Leu12HN 4.362 8.193 7.74e+008 ga Phe11HA-Leu14HA 4.356 4.034 2.27e+008 ga Leu14HN-Phe11HA 7.629 4.356 4.87e+008 ga Phe11HA-Leu14HN 4.359 7.627 6.66e+008 ga Ile8HA-Phe11HB1 3.656 3.234 8.68e+008 ga Phe11HB1-Ile8HA 3.233 3.655 7.16e+008 ga Phe11HB1-Ile8HG2# 3.232 0.861 3.05e+008 ga Asp10HN-Phe11HB1 8.551 3.233 2.38e+008 ga Phe11HB1-Asp10HN 3.233 8.549 2.49e+008 ga Phe11HA-HB1 4.363 3.234 2.61e+009 ga Phe11HB1-HA 3.233 4.362 1.83e+009 ga Phe11HE#-HB1 7.195 3.234 2.39e+009 ga Phe11HB1-HE# 3.233 7.195 2.00e+009 ga Phe11HN-HB1 7.727 3.233 1.91e+009 ga Phe11HB1-HN 3.233 7.727 2.06e+009 ga Leu12HN-Phe11HB1 8.194 3.233 8.92e+008 ga Phe11HB1-Leu12HN 3.233 8.192 7.88e+008 ga Ile8HA-Phe11HB2 3.656 3.172 1.17e+009 ga Phe11HB2-Ile8HA 3.174 3.655 6.21e+008 ga Phe11HB2-Leu9HN 3.179 8.140 2.63e+008 ga Asp10HN-Phe11HB2 8.550 3.176 4.41e+008 ga Phe11HB2-Asp10HN 3.177 8.549 3.05e+008 ga Phe11HA-HB2 4.363 3.173 2.49e+009 ga Phe11HB2-HA 3.175 4.362 1.67e+009 ga Phe11HE#-HB2 7.195 3.173 3.13e+009 ga Phe11HB2-HE# 3.174 7.195 2.35e+009 ga Phe11HN-HB2 7.727 3.172 2.20e+009 ga Phe11HB2-HN 3.173 7.726 2.01e+009 ga Leu12HN-Phe11HB2 8.193 3.173 1.14e+009 ga Phe11HB2-Leu12HN 3.174 8.193 8.27e+008 ga Phe11HB2-Leu14HD2# 3.175 0.762 5.69e+008 ga Phe11HE#-Ile7HG2# 7.195 0.885 7.65e+008 ga Phe11HE#-Ile8HG2# 7.195 0.861 7.28e+008 ga Asp10HN-Phe11HE# 8.551 7.195 1.09e+008 ga Phe11HE#-Asp10HN 7.194 8.550 1.15e+008 ga Phe11HN-HE# 7.728 7.195 6.99e+008 ga Phe11HE#-HN 7.195 7.727 6.59e+008 ga Leu12HN-Phe11HE# 8.193 7.194 5.98e+008 ga Phe11HE#-Leu12HN 7.195 8.193 5.64e+008 ga Phe11HE#-Leu14HA 7.197 4.034 2.54e+008 ga Phe11HE#-Leu14HB2 7.193 1.555 2.20e+008 ga Phe11HE#-Lys17HA 7.196 4.077 3.46e+008 ga Phe11HN-Ile8HG2# 7.727 0.863 8.22e+008 ga Leu9HN-Phe11HN 8.142 7.726 3.03e+008 ga Phe11HN-Leu9HN 7.728 8.143 2.74e+008 ga Asp10HN-Phe11HN 8.550 7.726 9.99e+008 ga Phe11HN-Asp10HN 7.727 8.550 8.92e+008 ga Leu12HN-Phe11HN 8.193 7.727 1.24e+009 ga Phe11HN-Leu12HN 7.727 8.192 1.03e+009 ga Phe11HN-Leu14HD2# 7.729 0.760 3.83e+008 ga Leu12HA-Leu9HA 3.774 3.967 5.08e+008 ga Leu12HA-Leu9HN 3.780 8.141 3.73e+008 ga Phe11HA-Leu12HA 4.361 3.773 1.42e+008 ga Leu12HA-Phe11HA 3.771 4.361 3.19e+008 ga Leu12HA-Phe11HB1 3.774 3.232 3.37e+008 ga Leu12HA-Phe11HB2 3.776 3.169 2.25e+009 ga Phe11HE#-Leu12HA 7.195 3.774 1.22e+009 ga Leu12HA-Phe11HE# 3.773 7.195 5.75e+008 ga Phe11HN-Leu12HA 7.728 3.773 3.10e+008 ga Leu12HA-Phe11HN 3.773 7.727 2.69e+008 ga Leu12HA-HD2# 3.772 0.758 5.97e+009 ga Leu12HN-HA 8.193 3.772 1.49e+009 ga Leu12HA-HN 3.772 8.193 1.41e+009 ga Leu12HA-Phe13HB1 3.774 3.291 4.43e+008 ga Phe13HE#-Leu12HA 7.369 3.773 1.68e+008 ga Leu12HA-Phe13HE# 3.772 7.368 2.41e+008 ga Phe13HN-Leu12HA 7.829 3.772 8.18e+008 ga Leu12HA-Phe13HN 3.773 7.828 8.10e+008 ga Leu12HB1-Ile8HA 1.633 3.650 5.91e+008 ga Leu12HB1-Leu9HA 1.634 3.971 2.96e+009 ga Phe11HE#-Leu12HB1 7.192 1.633 1.06e+009 ga Leu12HB1-Phe11HE# 1.634 7.194 8.95e+008 ga Phe11HN-Leu12HB1 7.727 1.632 3.05e+008 ga Leu12HB1-Phe11HN 1.634 7.727 4.14e+008 ga Leu12HA-HB1 3.773 1.633 2.01e+009 ga Leu12HB1-HA 1.634 3.772 2.97e+009 ga Leu12HG-HB1 1.828 1.628 2.19e+009 ga Leu12HB1-HG 1.634 1.827 2.13e+009 ga Leu12HN-HB1 8.193 1.633 1.51e+009 ga Leu12HB1-HN 1.634 8.193 1.66e+009 ga Phe13HD#-Leu12HB1 7.225 1.633 1.26e+008 ga Leu12HB1-Phe13HD# 1.634 7.223 1.87e+008 ga Phe13HE#-Leu12HB1 7.369 1.633 5.26e+008 ga Leu12HB1-Phe13HE# 1.634 7.368 7.11e+008 ga Phe13HN-Leu12HB1 7.829 1.632 8.59e+008 ga Leu12HB1-Phe13HN 1.634 7.829 1.22e+009 ga Leu9HA-Leu12HB2 3.970 1.079 7.02e+008 ga Leu12HB2-Leu9HA 1.078 3.968 7.55e+008 ga Phe11HE#-Leu12HB2 7.195 1.076 1.57e+008 ga Leu12HB2-Phe11HE# 1.079 7.195 2.57e+008 ga Leu12HB2-Phe11HN 1.080 7.726 2.33e+008 ga Leu12HA-HB2 3.772 1.078 2.32e+009 ga Leu12HB2-HA 1.079 3.772 2.87e+009 ga Leu12HB1-HB2 1.633 1.078 5.35e+009 ga Leu12HB2-HB1 1.079 1.633 5.11e+009 ga Leu12HG-HB2 1.826 1.077 1.75e+009 ga Leu12HB2-HG 1.079 1.827 1.92e+009 ga Leu12HN-HB2 8.193 1.078 1.22e+009 ga Leu12HB2-HN 1.079 8.192 1.40e+009 ga Phe13HD#-Leu12HB2 7.226 1.078 1.82e+008 ga Leu12HB2-Phe13HD# 1.077 7.223 2.69e+008 ga Phe13HE#-Leu12HB2 7.369 1.079 4.03e+008 ga Leu12HB2-Phe13HE# 1.079 7.368 5.88e+008 ga Phe13HN-Leu12HB2 7.829 1.078 7.08e+008 ga Leu12HB2-Phe13HN 1.079 7.829 1.01e+009 ga Leu12HB2-Leu14HN 1.077 7.630 1.90e+008 ga Leu12HD1#-Leu9HB1 0.867 1.877 7.00e+009 ga Leu12HD1#-Leu9HG 0.869 1.832 2.02e+010 ga Leu12HD1#-Phe11HN 0.868 7.726 1.08e+009 ga Leu12HB1-HD1# 1.631 0.864 2.37e+009 ga Leu12HD1#-HB1 0.870 1.632 2.00e+009 ga Leu12HN-HD1# 8.191 0.864 7.79e+008 ga Leu12HD1#-HN 0.866 8.191 1.08e+009 ga Leu12HD1#-Phe13HB1 0.869 3.290 5.46e+008 ga Leu12HD1#-Phe13HB2 0.872 2.903 1.06e+008 ga Phe13HD#-Leu12HD1# 7.226 0.870 1.38e+009 ga Leu12HD1#-Phe13HD# 0.870 7.224 1.84e+009 ga Phe13HE#-Leu12HD1# 7.369 0.870 1.10e+009 ga Leu12HD1#-Phe13HE# 0.870 7.369 1.77e+009 ga Phe13HN-Leu12HD1# 7.835 0.869 4.56e+008 ga Leu12HD1#-Phe13HN 0.869 7.830 9.34e+008 ga Leu12HD1#-Arg15HD# 0.871 3.117 6.83e+008 ga Leu12HD1#-Arg15HN 0.874 8.342 1.31e+008 ga Leu12HD2#-Leu9HB2 0.766 1.505 2.21e+008 ga Phe11HA-Leu12HD2# 4.359 0.766 3.97e+008 ga Leu12HD2#-Phe11HA 0.764 4.361 9.00e+008 ga Phe11HB1-Leu12HD2# 3.234 0.763 3.56e+008 ga Leu12HD2#-Phe11HB1 0.764 3.233 6.68e+008 ga Leu12HD2#-Phe11HB2 0.765 3.174 1.28e+009 ga Leu12HD2#-Phe11HN 0.765 7.727 6.25e+008 ga Leu12HB1-HD2# 1.633 0.768 3.63e+009 ga Leu12HD2#-HB1 0.767 1.633 5.14e+009 ga Leu12HB2-HD2# 1.079 0.765 4.95e+009 ga Leu12HD2#-HB2 0.766 1.078 5.76e+009 ga Leu12HG-HD2# 1.822 0.765 1.06e+010 ga Leu12HD2#-HG 0.766 1.822 1.53e+010 ga Leu12HN-HD2# 8.193 0.764 1.68e+009 ga Leu12HD2#-HN 0.765 8.193 2.47e+009 ga Phe13HD#-Leu12HD2# 7.226 0.769 6.87e+008 ga Leu12HD2#-Phe13HD# 0.767 7.224 6.61e+008 ga Phe13HE#-Leu12HD2# 7.369 0.767 5.20e+008 ga Leu12HD2#-Phe13HE# 0.767 7.368 8.46e+008 ga Phe13HN-Leu12HD2# 7.830 0.766 7.18e+008 ga Leu12HD2#-Phe13HN 0.766 7.829 1.31e+009 ga Leu12HD2#-Arg15HG1 0.766 1.565 2.74e+009 ga Leu12HG-Asp10HN 1.835 8.549 6.64e+008 ga Phe11HB1-Leu12HG 3.233 1.826 4.36e+008 ga Leu12HG-Phe11HB1 1.827 3.233 5.18e+008 ga Phe11HE#-Leu12HG 7.195 1.826 7.47e+008 ga Leu12HG-Phe11HE# 1.826 7.195 1.03e+009 ga Phe11HN-Leu12HG 7.727 1.823 5.21e+008 ga Leu12HG-Phe11HN 1.827 7.726 6.21e+008 ga Leu12HA-HG 3.773 1.826 1.07e+009 ga Leu12HG-HA 1.827 3.772 2.80e+009 ga Leu12HN-HG 8.193 1.826 2.08e+009 ga Leu12HG-HN 1.827 8.193 2.24e+009 ga Leu12HG-Phe13HD# 1.832 7.225 2.16e+008 ga Phe13HE#-Leu12HG 7.369 1.829 3.60e+008 ga Leu12HG-Phe13HE# 1.830 7.368 4.59e+008 ga Phe13HN-Leu12HG 7.830 1.826 5.67e+008 ga Leu12HG-Phe13HN 1.826 7.829 1.71e+009 ga Asp10HN-Leu12HN 8.550 8.193 2.19e+008 ga Leu12HN-Asp10HN 8.192 8.550 2.41e+008 ga Leu12HN-Lys16HE# 8.195 2.908 5.35e+008 ga Phe13HA-Leu9HD1# 4.538 0.875 1.46e+008 ga Phe13HA-Leu12HB2 4.535 1.080 3.21e+008 ga Phe13HA-Leu12HD2# 4.535 0.765 1.13e+008 ga Phe13HA-Leu12HN 4.535 8.193 9.14e+007 ga Phe13HA-HD# 4.535 7.223 2.21e+008 ga Phe13HA-HE# 4.536 7.368 1.79e+009 ga Phe13HA-HN 4.537 7.828 1.32e+009 ga Phe13HA-Leu14HD1# 4.534 0.811 1.01e+008 ga Phe13HA-Leu14HN 4.536 7.628 9.33e+008 ga Phe13HA-Arg15HN 4.536 8.340 1.76e+008 ga Phe13HA-Lys16HE# 4.535 2.907 2.01e+009 ga Asp10HA-Phe13HB1 4.352 3.281 3.21e+008 ga Phe13HB1-Asp10HA 3.284 4.351 5.19e+008 ga Phe13HA-HB1 4.536 3.289 2.66e+009 ga Phe13HB1-HA 3.286 4.534 1.13e+009 ga Phe13HD#-HB1 7.227 3.289 4.16e+008 ga Phe13HB1-HD# 3.286 7.223 3.04e+008 ga Phe13HE#-HB1 7.369 3.290 1.53e+009 ga Phe13HB1-HE# 3.285 7.368 1.57e+009 ga Phe13HN-HB1 7.829 3.289 1.31e+009 ga Phe13HB1-HN 3.286 7.828 1.63e+009 ga Phe13HB1-Leu14HA 3.285 4.036 2.24e+008 ga Leu14HN-Phe13HB1 7.628 3.289 7.51e+008 ga Phe13HB1-Leu14HN 3.286 7.628 5.08e+008 ga Arg15HN-Phe13HB1 8.340 3.290 5.39e+008 ga Phe13HB1-Arg15HN 3.287 8.341 2.34e+008 ga Phe13HB2-Leu12HD2# 2.901 0.766 1.13e+009 ga Phe13HB2-Leu12HN 2.900 8.193 2.88e+008 ga Phe13HB2-HA 2.910 4.534 3.64e+008 ga Phe13HB1-HB2 3.285 2.909 4.98e+009 ga Phe13HB2-HB1 2.905 3.289 5.49e+009 ga Phe13HB2-HD# 2.906 7.223 3.23e+008 ga Phe13HE#-HB2 7.369 2.906 1.18e+009 ga Phe13HB2-HE# 2.906 7.368 1.66e+009 ga Phe13HN-HB2 7.830 2.906 1.49e+009 ga Phe13HB2-HN 2.906 7.828 1.92e+009 ga Leu14HN-Phe13HB2 7.629 2.905 5.25e+008 ga Phe13HB2-Leu14HN 2.903 7.628 6.21e+008 ga Phe13HB2-Arg15HG2 2.906 1.509 7.01e+009 ga Phe13HB2-Arg15HN 2.902 8.340 4.61e+008 ga Phe13HD#-Leu9HB2 7.226 1.508 6.34e+008 ga Phe13HE#-HD# 7.368 7.224 9.48e+009 ga Phe13HD#-HE# 7.226 7.369 1.09e+010 ga Phe13HN-HD# 7.831 7.223 1.84e+008 ga Phe13HD#-HN 7.226 7.827 1.22e+008 ga Phe13HE#-Leu9HB2 7.369 1.506 6.26e+008 ga Leu12HN-Phe13HE# 8.192 7.368 2.34e+008 ga Phe13HE#-Leu12HN 7.369 8.192 1.42e+008 ga Phe13HN-HE# 7.830 7.368 8.92e+008 ga Phe13HE#-HN 7.369 7.829 7.12e+008 ga Leu14HN-Phe13HE# 7.629 7.369 2.58e+008 ga Phe13HE#-Leu14HN 7.368 7.628 1.27e+008 ga Phe13HN-Leu9HB2 7.830 1.507 2.02e+008 ga Phe13HN-Phe11HB1 7.829 3.236 1.38e+009 ga Phe13HN-Phe11HN 7.830 7.726 3.68e+008 ga Leu12HN-Phe13HN 8.194 7.829 1.08e+009 ga Phe13HN-Leu12HN 7.829 8.193 1.01e+009 ga Phe13HN-Leu14HB2 7.829 1.555 7.11e+008 ga Arg15HN-Phe13HN 8.341 7.828 3.16e+008 ga Phe13HN-Arg15HN 7.830 8.340 2.74e+008 ga Leu14HA-Asp10HA 4.037 4.355 5.43e+008 ga Leu14HA-Phe13HE# 4.035 7.367 1.19e+008 ga Phe13HN-Leu14HA 7.830 4.034 3.39e+008 ga Leu14HA-Phe13HN 4.035 7.829 2.78e+008 ga Leu14HN-HA 7.628 4.034 2.05e+009 ga Leu14HA-HN 4.035 7.628 2.03e+009 ga Leu14HA-Arg15HA 4.036 4.232 8.37e+008 ga Arg15HN-Leu14HA 8.341 4.034 1.52e+009 ga Leu14HA-Arg15HN 4.035 8.340 1.37e+009 ga Lys16HN-Leu14HA 8.036 4.032 2.91e+008 ga Leu14HA-Lys16HN 4.035 8.035 1.65e+008 ga Leu14HB1-Phe11HE# 1.742 7.195 3.19e+008 ga Leu14HB1-Phe13HB2 1.749 2.904 6.88e+006 ga Phe13HN-Leu14HB1 7.829 1.743 4.13e+008 ga Leu14HB1-Phe13HN 1.745 7.829 5.01e+008 ga Leu14HB1-HA 1.743 4.033 3.09e+009 ga Leu14HN-HB1 7.628 1.744 1.78e+009 ga Leu14HB1-HN 1.743 7.628 2.06e+009 ga Leu14HB2-HA 1.549 4.033 3.22e+009 ga Leu14HB1-HB2 1.743 1.545 1.39e+010 ga Leu14HB2-HB1 1.548 1.744 7.26e+009 ga Leu14HB2-HD1# 1.545 0.807 5.25e+009 ga Leu14HN-HB2 7.628 1.543 2.02e+009 ga Leu14HB2-HN 1.548 7.627 2.01e+009 ga Phe11HA-Leu14HD1# 4.362 0.812 7.80e+008 ga Leu14HD1#-Phe11HA 0.811 4.361 8.56e+008 ga Phe11HB1-Leu14HD1# 3.236 0.814 2.62e+008 ga Leu14HD1#-Phe11HB1 0.813 3.234 5.02e+008 ga Phe11HE#-Leu14HD1# 7.195 0.814 1.08e+009 ga Leu14HD1#-Phe11HE# 0.813 7.195 1.40e+009 ga Phe11HN-Leu14HD1# 7.728 0.815 1.90e+008 ga Leu14HD1#-Phe11HN 0.812 7.726 3.00e+008 ga Leu14HD1#-Phe13HB1 0.810 3.290 6.01e+008 ga Phe13HE#-Leu14HD1# 7.369 0.805 1.90e+008 ga Leu14HD1#-Phe13HE# 0.808 7.367 2.39e+008 ga Phe13HN-Leu14HD1# 7.828 0.805 3.30e+008 ga Leu14HD1#-Phe13HN 0.810 7.827 7.86e+008 ga Leu14HA-HD1# 4.035 0.804 4.41e+009 ga Leu14HD1#-HA 0.806 4.034 6.42e+009 ga Leu14HB1-HD1# 1.743 0.811 3.66e+009 ga Leu14HD1#-HB1 0.811 1.744 4.88e+009 ga Leu14HD1#-HG 0.809 1.513 1.52e+010 ga Leu14HN-HD1# 7.629 0.809 1.16e+009 ga Leu14HD1#-HN 0.810 7.628 1.70e+009 ga Leu14HD1#-Arg15HA 0.810 4.232 2.02e+008 ga Arg15HN-Leu14HD1# 8.341 0.809 5.97e+008 ga Leu14HD1#-Arg15HN 0.809 8.340 8.54e+008 ga Leu14HD1#-Lys16HA 0.810 4.255 1.65e+008 ga Lys16HE#-Leu14HD1# 2.909 0.812 7.03e+008 ga Leu14HD1#-Lys16HE# 0.811 2.910 7.65e+008 ga Leu14HD1#-Lys16HN 0.809 8.035 2.49e+008 ga Phe11HE#-Leu14HD2# 7.196 0.758 2.15e+009 ga Leu14HD2#-Phe11HE# 0.760 7.196 3.05e+009 ga Leu14HD2#-Leu12HA 0.760 3.772 9.29e+009 ga Leu14HD2#-HN 0.764 7.629 9.34e+008 ga Leu14HG-Asp10HA 1.511 4.352 9.56e+008 ga Phe11HE#-Leu14HG 7.194 1.513 2.50e+008 ga Leu14HG-Phe11HE# 1.511 7.196 4.30e+007 ga Leu14HG-HA 1.512 4.033 1.73e+009 ga Leu14HG-HB1 1.513 1.747 5.26e+009 ga Leu14HN-HG 7.628 1.512 1.70e+009 ga Leu14HG-HN 1.512 7.628 1.71e+009 ga Leu14HG-Arg15HA 1.511 4.231 1.80e+009 ga Leu12HN-Leu14HN 8.193 7.627 2.88e+008 ga Leu14HN-Leu12HN 7.627 8.193 2.03e+008 ga Phe13HN-Leu14HN 7.829 7.628 1.38e+009 ga Leu14HN-Phe13HN 7.628 7.828 1.38e+009 ga Arg15HN-Leu14HN 8.341 7.628 1.41e+009 ga Leu14HN-Arg15HN 7.628 8.340 1.38e+009 ga Arg15HA-Leu14HN 4.234 7.628 1.95e+008 ga Arg15HA-HG2 4.233 1.508 2.03e+009 ga Arg15HN-HA 8.341 4.232 2.07e+009 ga Arg15HA-HN 4.233 8.340 1.77e+009 ga Asp10HA-Arg15HB1 4.353 1.758 1.70e+009 ga Arg15HB1-Asp10HA 1.760 4.350 1.24e+009 ga Arg15HA-HB1 4.233 1.764 2.47e+009 ga Arg15HB1-HA 1.763 4.232 3.21e+009 ga Arg15HD#-HB1 3.115 1.765 1.90e+009 ga Arg15HB1-HD# 1.763 3.116 2.15e+009 ga Arg15HB1-HE 1.763 7.400 2.00e+008 ga Arg15HN-HB1 8.341 1.758 1.95e+009 ga Arg15HB1-HN 1.754 8.340 2.49e+009 ga Asp10HA-Arg15HB2 4.350 1.700 1.02e+009 ga Arg15HB2-Asp10HA 1.705 4.349 1.12e+009 ga Arg15HA-HB2 4.233 1.702 2.14e+009 ga Arg15HB2-HA 1.704 4.231 1.99e+009 ga Arg15HD#-HB2 3.116 1.702 1.53e+009 ga Arg15HB2-HD# 1.701 3.115 2.02e+009 ga Arg15HB2-HE 1.701 7.402 1.91e+008 ga Arg15HN-HB2 8.341 1.701 1.56e+009 ga Arg15HB2-HN 1.702 8.340 1.60e+009 ga Lys16HN-Arg15HB2 8.035 1.701 5.41e+008 ga Arg15HB2-Lys16HN 1.702 8.034 5.03e+008 ga Asp10HA-Arg15HD# 4.352 3.116 9.54e+008 ga Arg15HD#-Asp10HA 3.106 4.349 4.69e+008 ga Arg15HD#-Phe13HE# 3.116 7.368 2.49e+008 ga Arg15HA-HD# 4.231 3.113 1.09e+009 ga Arg15HD#-HA 3.110 4.231 6.89e+008 ga Arg15HD#-HE 3.114 7.399 5.32e+008 ga Arg15HD#-HN 3.114 8.340 3.91e+008 ga Arg15HD#-Lys16HN 3.113 8.036 1.87e+008 ga Arg15HG1-Phe11HE# 1.557 7.195 1.29e+009 ga Phe13HB1-Arg15HG1 3.286 1.574 6.23e+008 ga Arg15HG1-Phe13HB1 1.573 3.288 1.15e+009 ga Phe13HE#-Arg15HG1 7.369 1.575 3.12e+008 ga Arg15HG1-Phe13HE# 1.570 7.366 3.77e+008 ga Arg15HG1-Phe13HN 1.558 7.828 6.28e+008 ga Arg15HA-HG1 4.233 1.569 1.68e+009 ga Arg15HG1-HA 1.570 4.231 1.81e+009 ga Arg15HD#-HG1 3.116 1.570 2.85e+009 ga Arg15HG1-HD# 1.572 3.116 3.90e+009 ga Arg15HG1-HE 1.572 7.401 2.54e+008 ga Arg15HN-HG1 8.341 1.559 1.69e+009 ga Arg15HG1-HN 1.557 8.340 2.25e+009 ga Lys16HN-Arg15HG1 8.036 1.563 1.36e+009 ga Arg15HG1-Lys16HN 1.564 8.034 1.98e+009 ga Phe13HB1-Arg15HG2 3.286 1.511 1.97e+009 ga Arg15HG2-Phe13HB1 1.510 3.288 9.48e+008 ga Arg15HG2-Phe13HD# 1.508 7.224 3.06e+008 ga Arg15HG2-Phe13HE# 1.507 7.368 7.37e+008 ga Arg15HG2-Phe13HN 1.510 7.829 3.78e+008 ga Arg15HG2-Leu14HD1# 1.510 0.806 6.72e+009 ga Arg15HD#-HG2 3.116 1.508 3.45e+009 ga Arg15HG2-HD# 1.511 3.116 3.85e+009 ga Arg15HG2-HE 1.510 7.399 2.10e+008 ga Arg15HN-HG2 8.341 1.510 1.41e+009 ga Arg15HG2-HN 1.512 8.340 1.23e+009 ga Lys16HN-Arg15HG2 8.035 1.510 2.19e+008 ga Arg15HG2-Lys16HN 1.511 8.034 1.76e+008 ga Arg15HN-Phe13HE# 8.341 7.368 1.12e+008 ga Arg15HN-Lys16HE# 8.342 2.909 4.32e+008 ga Lys16HA-HN 4.233 8.035 5.02e+009 ga Lys16HA-Lys17HG# 4.257 1.321 5.57e+008 ga Lys17HN-Lys16HA 7.925 4.257 4.33e+009 ga Lys16HA-Lys17HN 4.258 7.924 4.56e+009 ga Lys16HB1-Phe13HB1 1.754 3.289 3.81e+009 ga Lys16HA-HB1 4.256 1.755 2.14e+009 ga Lys16HB1-HA 1.755 4.257 2.08e+009 ga Lys16HB1-HN 1.755 8.035 2.02e+009 ga Lys16HB2-Leu14HB1 1.636 1.742 1.94e+010 ga Lys16HA-HB2 4.257 1.631 2.85e+009 ga Lys16HB2-HA 1.637 4.260 2.57e+009 ga Lys16HN-HB2 8.036 1.633 1.12e+009 ga Lys16HB2-HN 1.636 8.035 1.49e+009 ga Lys16HE#-HB1 2.907 1.755 1.06e+009 ga Lys16HE#-HG2 2.910 1.320 8.48e+008 ga Lys16HE#-HN 2.906 8.036 1.92e+008 ga Lys16HG1-Leu14HB1 1.361 1.745 4.30e+010 ga Lys16HA-HG1 4.257 1.351 1.73e+009 ga Lys16HG1-HA 1.357 4.257 1.01e+009 ga Lys16HE#-HG1 2.909 1.359 4.20e+008 ga Lys16HG1-HE# 1.356 2.908 5.17e+008 ga Lys16HN-HG1 8.035 1.358 3.52e+008 ga Lys16HG1-HN 1.360 8.035 5.52e+008 ga Lys16HG1-Lys17HN 1.358 7.923 2.32e+008 ga Lys16HG2-HA 1.323 4.256 1.51e+009 ga Lys16HG2-HN 1.325 8.035 5.38e+008 ga Lys16HG2-Lys17HA 1.327 4.075 1.43e+009 ga Lys16HN-Leu14HN 8.036 7.629 2.32e+008 ga Lys16HN-Arg15HA 8.036 4.232 4.58e+009 ga Lys16HN-Arg15HB1 8.036 1.758 1.56e+009 ga Arg15HN-Lys16HN 8.341 8.035 7.24e+008 ga Lys16HN-Arg15HN 8.036 8.340 6.50e+008 ga Lys16HN-Lys17HA 8.036 4.074 2.35e+008 ga Lys16HN-Lys17HG# 8.036 1.321 3.46e+008 ga Lys17HN-HA 7.925 4.075 1.33e+009 ga Lys17HA-HN 4.076 7.925 1.13e+009 ga Lys17HB1-Lys16HG2 1.739 1.327 1.85e+009 ga Lys17HA-HB1 4.075 1.738 1.24e+009 ga Lys17HB1-HA 1.736 4.075 1.62e+009 ga Lys17HB1-HB2 1.741 1.631 1.99e+010 ga Lys17HN-HB1 7.925 1.745 1.24e+009 ga Lys17HB1-HN 1.744 7.924 1.46e+009 ga Lys17HB2-Phe13HB1 1.635 3.290 2.49e+009 ga Lys17HN-HB2 7.925 1.633 1.71e+009 ga Lys17HB2-HN 1.635 7.924 2.00e+009 ga Lys17HG#-Lys16HE# 1.319 2.911 7.59e+008 ga Lys17HN-HG# 7.925 1.317 7.96e+008 ga Lys17HG#-HN 1.319 7.924 9.75e+008 ga Lys17HN-Lys16HN 7.925 8.034 3.42e+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 . . 30434 1 2 . . H 1 H . . 10.0 ppm . . . 5.0 . . 30434 1 stop_ save_