data_51406 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51406 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for amyloidogenic SEM1(68-107) peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-21 _Entry.Accession_date 2022-04-21 _Entry.Last_release_date 2022-04-22 _Entry.Original_release_date 2022-04-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . 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 Dmitriy Blokhin . S. . . 51406 2 Daria Sanchugova . A. . . 51406 3 Vladimir Klochkov . V. . . 51406 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . KFU . 51406 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51406 spectral_peak_list 10 51406 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 109 51406 '15N chemical shifts' 22 51406 '1H chemical shifts' 99 51406 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 . . 2022-10-10 2022-04-21 update BMRB 'update entry citation' 51406 1 . . 2022-04-26 2022-04-21 original author 'original release' 51406 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51406 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36191746 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational ensemble of amyloid-forming semenogelin 1 peptide SEM1(68-107) by NMR spectroscopy and MD simulations ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 214 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-8657 _Citation.Journal_CSD . _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 107900 _Citation.Page_last 107900 _Citation.Year 2022 _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 Daria Sanchugova D. . . . 51406 1 2 Aleksandra Kusova A. . . . 51406 1 3 Aydar Bikmullin A. . . . 51406 1 4 Aydar Yulmetov A. . . . 51406 1 5 Timur Mukhametzyanov T. . . . 51406 1 6 Vladimir Klochkov V. . . . 51406 1 7 Dmitriy Blokhin D. . . . 51406 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51406 _Assembly.ID 1 _Assembly.Name 'SEM1(68-107) peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 4941.3959 _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 'SEM1(68-107) peptide' 1 $entity_1 . . yes 'intrinsically disordered' no no . . . 51406 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51406 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TYHVDANDHDQSRKSQQYDL NALHKTTKSQRHLGGSQQLL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 40 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4941.3959 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 5 THR . 51406 1 2 6 TYR . 51406 1 3 7 HIS . 51406 1 4 8 VAL . 51406 1 5 9 ASP . 51406 1 6 10 ALA . 51406 1 7 11 ASN . 51406 1 8 12 ASP . 51406 1 9 13 HIS . 51406 1 10 14 ASP . 51406 1 11 15 GLN . 51406 1 12 16 SER . 51406 1 13 17 ARG . 51406 1 14 18 LYS . 51406 1 15 19 SER . 51406 1 16 20 GLN . 51406 1 17 21 GLN . 51406 1 18 22 TYR . 51406 1 19 23 ASP . 51406 1 20 24 LEU . 51406 1 21 25 ASN . 51406 1 22 26 ALA . 51406 1 23 27 LEU . 51406 1 24 28 HIS . 51406 1 25 29 LYS . 51406 1 26 30 THR . 51406 1 27 31 THR . 51406 1 28 32 LYS . 51406 1 29 33 SER . 51406 1 30 34 GLN . 51406 1 31 35 ARG . 51406 1 32 36 HIS . 51406 1 33 37 LEU . 51406 1 34 38 GLY . 51406 1 35 39 GLY . 51406 1 36 40 SER . 51406 1 37 41 GLN . 51406 1 38 42 GLN . 51406 1 39 43 LEU . 51406 1 40 44 LEU . 51406 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 . THR 1 1 51406 1 . TYR 2 2 51406 1 . HIS 3 3 51406 1 . VAL 4 4 51406 1 . ASP 5 5 51406 1 . ALA 6 6 51406 1 . ASN 7 7 51406 1 . ASP 8 8 51406 1 . HIS 9 9 51406 1 . ASP 10 10 51406 1 . GLN 11 11 51406 1 . SER 12 12 51406 1 . ARG 13 13 51406 1 . LYS 14 14 51406 1 . SER 15 15 51406 1 . GLN 16 16 51406 1 . GLN 17 17 51406 1 . TYR 18 18 51406 1 . ASP 19 19 51406 1 . LEU 20 20 51406 1 . ASN 21 21 51406 1 . ALA 22 22 51406 1 . LEU 23 23 51406 1 . HIS 24 24 51406 1 . LYS 25 25 51406 1 . THR 26 26 51406 1 . THR 27 27 51406 1 . LYS 28 28 51406 1 . SER 29 29 51406 1 . GLN 30 30 51406 1 . ARG 31 31 51406 1 . HIS 32 32 51406 1 . LEU 33 33 51406 1 . GLY 34 34 51406 1 . GLY 35 35 51406 1 . SER 36 36 51406 1 . GLN 37 37 51406 1 . GLN 38 38 51406 1 . LEU 39 39 51406 1 . LEU 40 40 51406 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51406 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51406 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51406 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-GB1 . . . 51406 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51406 _Sample.ID 1 _Sample.Name SEM1(68-107) _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Molecule 1' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 51406 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 51406 _Sample_condition_list.ID 1 _Sample_condition_list.Name Set1 _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 pH 8.8 . pH 51406 1 temperature 278 . K 51406 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51406 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.5 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51406 1 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 51406 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'BRUKER AVANCE III 700MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51406 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51406 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51406 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51406 1 4 'CC(CO)NH (HNco_C.relayed)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51406 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51406 1 6 'HN(CA)CO (H[N[ca[CO]]])' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51406 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51406 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51406 1 9 'HNHA (H{[N]+[HA]})' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51406 1 10 '3D HNHB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51406 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 51406 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Ref1 _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 . . . . . 51406 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51406 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51406 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 51406 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list' _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-15N HSQC/HMQC' . . . 51406 1 2 '3D HNCACB' . . . 51406 1 3 '3D HNCA' . . . 51406 1 4 'CC(CO)NH (HNco_C.relayed)' . . . 51406 1 5 '3D HNCO' . . . 51406 1 6 'HN(CA)CO (H[N[ca[CO]]])' . . . 51406 1 7 '3D CBCA(CO)NH' . . . 51406 1 8 '3D 1H-15N TOCSY' . . . 51406 1 9 'HNHA (H{[N]+[HA]})' . . . 51406 1 10 '3D HNHB' . . . 51406 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51406 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 THR C C 13 173.111 . . 1 . . . . . 5 THR C . 51406 1 2 . 1 . 1 1 1 THR CA C 13 61.413 0.038 . 1 . . . . . 5 THR CA . 51406 1 3 . 1 . 1 1 1 THR CB C 13 69.794 0.138 . 1 . . . . . 5 THR CB . 51406 1 4 . 1 . 1 1 1 THR CG2 C 13 21.164 . . 1 . . . . . 5 THR CG2 . 51406 1 5 . 1 . 1 2 2 TYR H H 1 7.569 0.008 . 1 . . . . . 6 TYR H . 51406 1 6 . 1 . 1 2 2 TYR HA H 1 4.113 . . 1 . . . . . 6 TYR HA . 51406 1 7 . 1 . 1 2 2 TYR HB2 H 1 2.552 . . 2 . . . . . 6 TYR HB2 . 51406 1 8 . 1 . 1 2 2 TYR HB3 H 1 2.791 . . 2 . . . . . 6 TYR HB3 . 51406 1 9 . 1 . 1 2 2 TYR CA C 13 58.909 0.006 . 1 . . . . . 6 TYR CA . 51406 1 10 . 1 . 1 2 2 TYR CB C 13 39.091 . . 1 . . . . . 6 TYR CB . 51406 1 11 . 1 . 1 2 2 TYR N N 15 126.805 0.04 . 1 . . . . . 6 TYR N . 51406 1 12 . 1 . 1 3 3 HIS C C 13 174.892 . . 1 . . . . . 7 HIS C . 51406 1 13 . 1 . 1 3 3 HIS CA C 13 56.315 0.024 . 1 . . . . . 7 HIS CA . 51406 1 14 . 1 . 1 3 3 HIS CB C 13 31.292 0.015 . 1 . . . . . 7 HIS CB . 51406 1 15 . 1 . 1 4 4 VAL H H 1 7.772 0.005 . 1 . . . . . 8 VAL H . 51406 1 16 . 1 . 1 4 4 VAL HA H 1 3.690 0.004 . 1 . . . . . 8 VAL HA . 51406 1 17 . 1 . 1 4 4 VAL HB H 1 1.652 0.007 . 1 . . . . . 8 VAL HB . 51406 1 18 . 1 . 1 4 4 VAL HG11 H 1 0.659 . . 2 . . . . . 8 VAL HG11 . 51406 1 19 . 1 . 1 4 4 VAL HG12 H 1 0.659 . . 2 . . . . . 8 VAL HG12 . 51406 1 20 . 1 . 1 4 4 VAL HG13 H 1 0.659 . . 2 . . . . . 8 VAL HG13 . 51406 1 21 . 1 . 1 4 4 VAL HG21 H 1 0.502 . . 2 . . . . . 8 VAL HG21 . 51406 1 22 . 1 . 1 4 4 VAL HG22 H 1 0.502 . . 2 . . . . . 8 VAL HG22 . 51406 1 23 . 1 . 1 4 4 VAL HG23 H 1 0.502 . . 2 . . . . . 8 VAL HG23 . 51406 1 24 . 1 . 1 4 4 VAL C C 13 175.233 0.008 . 1 . . . . . 8 VAL C . 51406 1 25 . 1 . 1 4 4 VAL CA C 13 61.931 0.062 . 1 . . . . . 8 VAL CA . 51406 1 26 . 1 . 1 4 4 VAL CB C 13 32.641 0.061 . 1 . . . . . 8 VAL CB . 51406 1 27 . 1 . 1 4 4 VAL CG1 C 13 20.440 . . 1 . . . . . 8 VAL CG1 . 51406 1 28 . 1 . 1 4 4 VAL N N 15 123.019 0.05 . 1 . . . . . 8 VAL N . 51406 1 29 . 1 . 1 5 5 ASP H H 1 8.384 0.004 . 1 . . . . . 9 ASP H . 51406 1 30 . 1 . 1 5 5 ASP HA H 1 4.263 0.01 . 1 . . . . . 9 ASP HA . 51406 1 31 . 1 . 1 5 5 ASP HB2 H 1 2.416 0.009 . 2 . . . . . 9 ASP HB2 . 51406 1 32 . 1 . 1 5 5 ASP HB3 H 1 2.561 . . 2 . . . . . 9 ASP HB3 . 51406 1 33 . 1 . 1 5 5 ASP C C 13 175.944 0.003 . 1 . . . . . 9 ASP C . 51406 1 34 . 1 . 1 5 5 ASP CA C 13 53.909 0.061 . 1 . . . . . 9 ASP CA . 51406 1 35 . 1 . 1 5 5 ASP CB C 13 41.040 0.05 . 1 . . . . . 9 ASP CB . 51406 1 36 . 1 . 1 5 5 ASP N N 15 124.502 0.052 . 1 . . . . . 9 ASP N . 51406 1 37 . 1 . 1 6 6 ALA H H 1 8.161 0.005 . 1 . . . . . 10 ALA H . 51406 1 38 . 1 . 1 6 6 ALA C C 13 177.612 0.052 . 1 . . . . . 10 ALA C . 51406 1 39 . 1 . 1 6 6 ALA CA C 13 52.760 0.01 . 1 . . . . . 10 ALA CA . 51406 1 40 . 1 . 1 6 6 ALA CB C 13 18.811 . . 1 . . . . . 10 ALA CB . 51406 1 41 . 1 . 1 6 6 ALA N N 15 125.240 0.039 . 1 . . . . . 10 ALA N . 51406 1 42 . 1 . 1 7 7 ASN H H 1 7.806 0.011 . 1 . . . . . 11 ASN H . 51406 1 43 . 1 . 1 7 7 ASN HA H 1 3.940 . . 1 . . . . . 11 ASN HA . 51406 1 44 . 1 . 1 7 7 ASN CA C 13 55.392 0.008 . 1 . . . . . 11 ASN CA . 51406 1 45 . 1 . 1 7 7 ASN CB C 13 41.775 . . 1 . . . . . 11 ASN CB . 51406 1 46 . 1 . 1 7 7 ASN N N 15 119.862 0.021 . 1 . . . . . 11 ASN N . 51406 1 47 . 1 . 1 8 8 ASP H H 1 8.272 0.004 . 1 . . . . . 12 ASP H . 51406 1 48 . 1 . 1 8 8 ASP HA H 1 4.223 . . 1 . . . . . 12 ASP HA . 51406 1 49 . 1 . 1 8 8 ASP HB2 H 1 2.280 . . 1 . . . . . 12 ASP HB2 . 51406 1 50 . 1 . 1 8 8 ASP C C 13 176.095 . . 1 . . . . . 12 ASP C . 51406 1 51 . 1 . 1 8 8 ASP CA C 13 54.163 0.032 . 1 . . . . . 12 ASP CA . 51406 1 52 . 1 . 1 8 8 ASP CB C 13 40.597 0.111 . 1 . . . . . 12 ASP CB . 51406 1 53 . 1 . 1 8 8 ASP N N 15 126.863 0.096 . 1 . . . . . 12 ASP N . 51406 1 54 . 1 . 1 9 9 HIS H H 1 7.929 0.009 . 1 . . . . . 13 HIS H . 51406 1 55 . 1 . 1 9 9 HIS C C 13 175.683 . . 1 . . . . . 13 HIS C . 51406 1 56 . 1 . 1 9 9 HIS CA C 13 56.787 0.015 . 1 . . . . . 13 HIS CA . 51406 1 57 . 1 . 1 9 9 HIS CB C 13 30.723 0.052 . 1 . . . . . 13 HIS CB . 51406 1 58 . 1 . 1 9 9 HIS N N 15 120.146 0.037 . 1 . . . . . 13 HIS N . 51406 1 59 . 1 . 1 10 10 ASP H H 1 8.024 0.014 . 1 . . . . . 14 ASP H . 51406 1 60 . 1 . 1 10 10 ASP CA C 13 54.399 . . 1 . . . . . 14 ASP CA . 51406 1 61 . 1 . 1 10 10 ASP CB C 13 40.618 . . 1 . . . . . 14 ASP CB . 51406 1 62 . 1 . 1 10 10 ASP N N 15 120.822 0.086 . 1 . . . . . 14 ASP N . 51406 1 63 . 1 . 1 13 13 ARG C C 13 175.174 0.028 . 1 . . . . . 17 ARG C . 51406 1 64 . 1 . 1 13 13 ARG CA C 13 55.732 0.045 . 1 . . . . . 17 ARG CA . 51406 1 65 . 1 . 1 13 13 ARG CB C 13 30.211 0.049 . 1 . . . . . 17 ARG CB . 51406 1 66 . 1 . 1 13 13 ARG CG C 13 26.742 . . 1 . . . . . 17 ARG CG . 51406 1 67 . 1 . 1 13 13 ARG CD C 13 42.974 . . 1 . . . . . 17 ARG CD . 51406 1 68 . 1 . 1 14 14 LYS H H 1 7.737 0.006 . 1 . . . . . 18 LYS H . 51406 1 69 . 1 . 1 14 14 LYS HA H 1 3.842 0.0 . 1 . . . . . 18 LYS HA . 51406 1 70 . 1 . 1 14 14 LYS HB2 H 1 1.484 0.006 . 1 . . . . . 18 LYS HB2 . 51406 1 71 . 1 . 1 14 14 LYS HG2 H 1 1.039 . . 1 . . . . . 18 LYS HG2 . 51406 1 72 . 1 . 1 14 14 LYS HD2 H 1 1.252 . . 1 . . . . . 18 LYS HD2 . 51406 1 73 . 1 . 1 14 14 LYS HE2 H 1 2.787 . . 1 . . . . . 18 LYS HE2 . 51406 1 74 . 1 . 1 14 14 LYS CA C 13 57.432 0.005 . 1 . . . . . 18 LYS CA . 51406 1 75 . 1 . 1 14 14 LYS CB C 13 33.227 . . 1 . . . . . 18 LYS CB . 51406 1 76 . 1 . 1 14 14 LYS N N 15 127.899 0.06 . 1 . . . . . 18 LYS N . 51406 1 77 . 1 . 1 15 15 SER C C 13 173.398 . . 1 . . . . . 19 SER C . 51406 1 78 . 1 . 1 15 15 SER CA C 13 58.247 0.022 . 1 . . . . . 19 SER CA . 51406 1 79 . 1 . 1 15 15 SER CB C 13 63.466 0.085 . 1 . . . . . 19 SER CB . 51406 1 80 . 1 . 1 16 16 GLN H H 1 7.883 0.006 . 1 . . . . . 20 GLN H . 51406 1 81 . 1 . 1 16 16 GLN HA H 1 3.864 . . 1 . . . . . 20 GLN HA . 51406 1 82 . 1 . 1 16 16 GLN HB2 H 1 1.573 0.025 . 2 . . . . . 20 GLN HB2 . 51406 1 83 . 1 . 1 16 16 GLN HB3 H 1 1.768 0.039 . 2 . . . . . 20 GLN HB3 . 51406 1 84 . 1 . 1 16 16 GLN HG2 H 1 1.933 . . 2 . . . . . 20 GLN HG2 . 51406 1 85 . 1 . 1 16 16 GLN HG3 H 1 2.106 . . 2 . . . . . 20 GLN HG3 . 51406 1 86 . 1 . 1 16 16 GLN C C 13 180.396 . . 1 . . . . . 20 GLN C . 51406 1 87 . 1 . 1 16 16 GLN CA C 13 57.154 0.015 . 1 . . . . . 20 GLN CA . 51406 1 88 . 1 . 1 16 16 GLN CB C 13 30.020 . . 1 . . . . . 20 GLN CB . 51406 1 89 . 1 . 1 16 16 GLN N N 15 126.803 0.041 . 1 . . . . . 20 GLN N . 51406 1 90 . 1 . 1 17 17 GLN C C 13 174.370 . . 1 . . . . . 21 GLN C . 51406 1 91 . 1 . 1 17 17 GLN CA C 13 55.369 0.041 . 1 . . . . . 21 GLN CA . 51406 1 92 . 1 . 1 17 17 GLN CB C 13 29.285 0.042 . 1 . . . . . 21 GLN CB . 51406 1 93 . 1 . 1 17 17 GLN CG C 13 33.456 . . 1 . . . . . 21 GLN CG . 51406 1 94 . 1 . 1 18 18 TYR H H 1 7.593 0.004 . 1 . . . . . 22 TYR H . 51406 1 95 . 1 . 1 18 18 TYR HA H 1 4.098 0.0 . 1 . . . . . 22 TYR HA . 51406 1 96 . 1 . 1 18 18 TYR HB2 H 1 2.544 0.018 . 2 . . . . . 22 TYR HB2 . 51406 1 97 . 1 . 1 18 18 TYR HB3 H 1 2.785 0.005 . 2 . . . . . 22 TYR HB3 . 51406 1 98 . 1 . 1 18 18 TYR C C 13 180.294 . . 1 . . . . . 22 TYR C . 51406 1 99 . 1 . 1 18 18 TYR CA C 13 58.902 0.001 . 1 . . . . . 22 TYR CA . 51406 1 100 . 1 . 1 18 18 TYR CB C 13 39.121 . . 1 . . . . . 22 TYR CB . 51406 1 101 . 1 . 1 18 18 TYR N N 15 126.321 0.049 . 1 . . . . . 22 TYR N . 51406 1 102 . 1 . 1 19 19 ASP C C 13 175.618 . . 1 . . . . . 23 ASP C . 51406 1 103 . 1 . 1 19 19 ASP CA C 13 53.946 0.08 . 1 . . . . . 23 ASP CA . 51406 1 104 . 1 . 1 19 19 ASP CB C 13 40.692 0.031 . 1 . . . . . 23 ASP CB . 51406 1 105 . 1 . 1 20 20 LEU H H 1 7.949 0.008 . 1 . . . . . 24 LEU H . 51406 1 106 . 1 . 1 20 20 LEU HA H 1 4.086 . . 1 . . . . . 24 LEU HA . 51406 1 107 . 1 . 1 20 20 LEU HB2 H 1 1.308 . . 1 . . . . . 24 LEU HB2 . 51406 1 108 . 1 . 1 20 20 LEU HG H 1 1.156 . . 1 . . . . . 24 LEU HG . 51406 1 109 . 1 . 1 20 20 LEU HD11 H 1 0.609 . . 2 . . . . . 24 LEU HD11 . 51406 1 110 . 1 . 1 20 20 LEU HD12 H 1 0.609 . . 2 . . . . . 24 LEU HD12 . 51406 1 111 . 1 . 1 20 20 LEU HD13 H 1 0.609 . . 2 . . . . . 24 LEU HD13 . 51406 1 112 . 1 . 1 20 20 LEU HD21 H 1 0.380 . . 2 . . . . . 24 LEU HD21 . 51406 1 113 . 1 . 1 20 20 LEU HD22 H 1 0.380 . . 2 . . . . . 24 LEU HD22 . 51406 1 114 . 1 . 1 20 20 LEU HD23 H 1 0.380 . . 2 . . . . . 24 LEU HD23 . 51406 1 115 . 1 . 1 20 20 LEU C C 13 176.257 . . 1 . . . . . 24 LEU C . 51406 1 116 . 1 . 1 20 20 LEU CA C 13 54.755 0.028 . 1 . . . . . 24 LEU CA . 51406 1 117 . 1 . 1 20 20 LEU CB C 13 41.890 0.066 . 1 . . . . . 24 LEU CB . 51406 1 118 . 1 . 1 20 20 LEU CG C 13 26.454 . . 1 . . . . . 24 LEU CG . 51406 1 119 . 1 . 1 20 20 LEU CD1 C 13 24.785 . . 2 . . . . . 24 LEU CD1 . 51406 1 120 . 1 . 1 20 20 LEU CD2 C 13 22.907 . . 2 . . . . . 24 LEU CD2 . 51406 1 121 . 1 . 1 20 20 LEU N N 15 122.443 0.133 . 1 . . . . . 24 LEU N . 51406 1 122 . 1 . 1 21 21 ASN H H 1 7.812 0.008 . 1 . . . . . 25 ASN H . 51406 1 123 . 1 . 1 21 21 ASN HA H 1 4.152 . . 1 . . . . . 25 ASN HA . 51406 1 124 . 1 . 1 21 21 ASN HB2 H 1 2.417 0.008 . 1 . . . . . 25 ASN HB2 . 51406 1 125 . 1 . 1 21 21 ASN C C 13 173.704 . . 1 . . . . . 25 ASN C . 51406 1 126 . 1 . 1 21 21 ASN CA C 13 54.529 0.028 . 1 . . . . . 25 ASN CA . 51406 1 127 . 1 . 1 21 21 ASN CB C 13 40.067 . . 1 . . . . . 25 ASN CB . 51406 1 128 . 1 . 1 21 21 ASN N N 15 124.290 0.019 . 1 . . . . . 25 ASN N . 51406 1 129 . 1 . 1 22 22 ALA H H 1 7.440 0.007 . 1 . . . . . 26 ALA H . 51406 1 130 . 1 . 1 22 22 ALA HA H 1 3.769 0.002 . 1 . . . . . 26 ALA HA . 51406 1 131 . 1 . 1 22 22 ALA HB1 H 1 1.027 0.014 . 1 . . . . . 26 ALA HB1 . 51406 1 132 . 1 . 1 22 22 ALA HB2 H 1 1.027 0.014 . 1 . . . . . 26 ALA HB2 . 51406 1 133 . 1 . 1 22 22 ALA HB3 H 1 1.027 0.014 . 1 . . . . . 26 ALA HB3 . 51406 1 134 . 1 . 1 22 22 ALA CA C 13 53.793 0.005 . 1 . . . . . 26 ALA CA . 51406 1 135 . 1 . 1 22 22 ALA CB C 13 19.645 . . 1 . . . . . 26 ALA CB . 51406 1 136 . 1 . 1 22 22 ALA N N 15 129.097 0.01 . 1 . . . . . 26 ALA N . 51406 1 137 . 1 . 1 23 23 LEU C C 13 176.113 . . 1 . . . . . 27 LEU C . 51406 1 138 . 1 . 1 23 23 LEU CA C 13 54.849 0.089 . 1 . . . . . 27 LEU CA . 51406 1 139 . 1 . 1 23 23 LEU CB C 13 41.731 0.107 . 1 . . . . . 27 LEU CB . 51406 1 140 . 1 . 1 23 23 LEU CG C 13 26.299 . . 1 . . . . . 27 LEU CG . 51406 1 141 . 1 . 1 23 23 LEU CD1 C 13 24.631 . . 1 . . . . . 27 LEU CD1 . 51406 1 142 . 1 . 1 24 24 HIS H H 1 7.488 0.008 . 1 . . . . . 28 HIS H . 51406 1 143 . 1 . 1 24 24 HIS HA H 1 4.096 . . 1 . . . . . 28 HIS HA . 51406 1 144 . 1 . 1 24 24 HIS HB2 H 1 2.747 0.005 . 1 . . . . . 28 HIS HB2 . 51406 1 145 . 1 . 1 24 24 HIS C C 13 180.091 . . 1 . . . . . 28 HIS C . 51406 1 146 . 1 . 1 24 24 HIS CA C 13 57.417 0.003 . 1 . . . . . 28 HIS CA . 51406 1 147 . 1 . 1 24 24 HIS CB C 13 31.450 . . 1 . . . . . 28 HIS CB . 51406 1 148 . 1 . 1 24 24 HIS N N 15 124.991 0.129 . 1 . . . . . 28 HIS N . 51406 1 149 . 1 . 1 25 25 LYS C C 13 175.586 . . 1 . . . . . 29 LYS C . 51406 1 150 . 1 . 1 25 25 LYS CA C 13 55.934 0.021 . 1 . . . . . 29 LYS CA . 51406 1 151 . 1 . 1 25 25 LYS CB C 13 32.856 0.186 . 1 . . . . . 29 LYS CB . 51406 1 152 . 1 . 1 25 25 LYS CG C 13 24.333 . . 1 . . . . . 29 LYS CG . 51406 1 153 . 1 . 1 25 25 LYS CD C 13 28.744 . . 1 . . . . . 29 LYS CD . 51406 1 154 . 1 . 1 26 26 THR H H 1 7.654 0.006 . 1 . . . . . 30 THR H . 51406 1 155 . 1 . 1 26 26 THR HA H 1 3.827 0.002 . 1 . . . . . 30 THR HA . 51406 1 156 . 1 . 1 26 26 THR HB H 1 3.925 0.005 . 1 . . . . . 30 THR HB . 51406 1 157 . 1 . 1 26 26 THR HG21 H 1 0.875 . . 1 . . . . . 30 THR HG21 . 51406 1 158 . 1 . 1 26 26 THR HG22 H 1 0.875 . . 1 . . . . . 30 THR HG22 . 51406 1 159 . 1 . 1 26 26 THR HG23 H 1 0.875 . . 1 . . . . . 30 THR HG23 . 51406 1 160 . 1 . 1 26 26 THR C C 13 173.898 . . 1 . . . . . 30 THR C . 51406 1 161 . 1 . 1 26 26 THR CA C 13 63.087 0.054 . 1 . . . . . 30 THR CA . 51406 1 162 . 1 . 1 26 26 THR CB C 13 70.425 . . 1 . . . . . 30 THR CB . 51406 1 163 . 1 . 1 26 26 THR CG2 C 13 21.311 . . 1 . . . . . 30 THR CG2 . 51406 1 164 . 1 . 1 26 26 THR N N 15 120.897 0.046 . 1 . . . . . 30 THR N . 51406 1 165 . 1 . 1 27 27 THR H H 1 7.613 0.005 . 1 . . . . . 31 THR H . 51406 1 166 . 1 . 1 27 27 THR HA H 1 3.853 0.009 . 1 . . . . . 31 THR HA . 51406 1 167 . 1 . 1 27 27 THR HB H 1 3.949 0.015 . 1 . . . . . 31 THR HB . 51406 1 168 . 1 . 1 27 27 THR HG21 H 1 0.893 . . 1 . . . . . 31 THR HG21 . 51406 1 169 . 1 . 1 27 27 THR HG22 H 1 0.893 . . 1 . . . . . 31 THR HG22 . 51406 1 170 . 1 . 1 27 27 THR HG23 H 1 0.893 . . 1 . . . . . 31 THR HG23 . 51406 1 171 . 1 . 1 27 27 THR C C 13 173.423 . . 1 . . . . . 31 THR C . 51406 1 172 . 1 . 1 27 27 THR CA C 13 61.519 0.069 . 1 . . . . . 31 THR CA . 51406 1 173 . 1 . 1 27 27 THR CB C 13 69.775 0.056 . 1 . . . . . 31 THR CB . 51406 1 174 . 1 . 1 27 27 THR CG2 C 13 21.282 . . 1 . . . . . 31 THR CG2 . 51406 1 175 . 1 . 1 27 27 THR N N 15 121.181 0.021 . 1 . . . . . 31 THR N . 51406 1 176 . 1 . 1 28 28 LYS H H 1 7.878 0.006 . 1 . . . . . 32 LYS H . 51406 1 177 . 1 . 1 28 28 LYS HA H 1 3.846 0.005 . 1 . . . . . 32 LYS HA . 51406 1 178 . 1 . 1 28 28 LYS HB2 H 1 1.467 0.004 . 1 . . . . . 32 LYS HB2 . 51406 1 179 . 1 . 1 28 28 LYS HG2 H 1 1.013 . . 1 . . . . . 32 LYS HG2 . 51406 1 180 . 1 . 1 28 28 LYS HD2 H 1 1.230 . . 1 . . . . . 32 LYS HD2 . 51406 1 181 . 1 . 1 28 28 LYS CA C 13 57.646 0.01 . 1 . . . . . 32 LYS CA . 51406 1 182 . 1 . 1 28 28 LYS CB C 13 33.204 . . 1 . . . . . 32 LYS CB . 51406 1 183 . 1 . 1 28 28 LYS N N 15 128.805 0.022 . 1 . . . . . 32 LYS N . 51406 1 184 . 1 . 1 30 30 GLN C C 13 174.806 . . 1 . . . . . 34 GLN C . 51406 1 185 . 1 . 1 30 30 GLN CA C 13 55.544 0.046 . 1 . . . . . 34 GLN CA . 51406 1 186 . 1 . 1 30 30 GLN CB C 13 29.235 0.054 . 1 . . . . . 34 GLN CB . 51406 1 187 . 1 . 1 30 30 GLN CG C 13 33.525 . . 1 . . . . . 34 GLN CG . 51406 1 188 . 1 . 1 31 31 ARG H H 1 7.843 0.006 . 1 . . . . . 35 ARG H . 51406 1 189 . 1 . 1 31 31 ARG HA H 1 3.840 . . 1 . . . . . 35 ARG HA . 51406 1 190 . 1 . 1 31 31 ARG HB2 H 1 1.509 0.009 . 2 . . . . . 35 ARG HB2 . 51406 1 191 . 1 . 1 31 31 ARG HB3 H 1 1.381 . . 2 . . . . . 35 ARG HB3 . 51406 1 192 . 1 . 1 31 31 ARG HG2 H 1 1.194 . . 1 . . . . . 35 ARG HG2 . 51406 1 193 . 1 . 1 31 31 ARG HD2 H 1 2.779 . . 1 . . . . . 35 ARG HD2 . 51406 1 194 . 1 . 1 31 31 ARG CA C 13 57.331 0.001 . 1 . . . . . 35 ARG CA . 51406 1 195 . 1 . 1 31 31 ARG CB C 13 30.967 . . 1 . . . . . 35 ARG CB . 51406 1 196 . 1 . 1 31 31 ARG N N 15 127.478 0.032 . 1 . . . . . 35 ARG N . 51406 1 197 . 1 . 1 33 33 LEU C C 13 176.482 . . 1 . . . . . 37 LEU C . 51406 1 198 . 1 . 1 33 33 LEU CA C 13 54.819 0.129 . 1 . . . . . 37 LEU CA . 51406 1 199 . 1 . 1 33 33 LEU CB C 13 41.954 0.238 . 1 . . . . . 37 LEU CB . 51406 1 200 . 1 . 1 34 34 GLY H H 1 7.572 0.009 . 1 . . . . . 38 GLY H . 51406 1 201 . 1 . 1 34 34 GLY HA2 H 1 3.524 . . 2 . . . . . 38 GLY HA2 . 51406 1 202 . 1 . 1 34 34 GLY HA3 H 1 3.350 0.001 . 2 . . . . . 38 GLY HA3 . 51406 1 203 . 1 . 1 34 34 GLY CA C 13 45.757 0.009 . 1 . . . . . 38 GLY CA . 51406 1 204 . 1 . 1 34 34 GLY N N 15 115.090 0.15 . 1 . . . . . 38 GLY N . 51406 1 205 . 1 . 1 38 38 GLN C C 13 175.276 . . 1 . . . . . 42 GLN C . 51406 1 206 . 1 . 1 38 38 GLN CA C 13 55.527 0.049 . 1 . . . . . 42 GLN CA . 51406 1 207 . 1 . 1 38 38 GLN CB C 13 29.131 0.06 . 1 . . . . . 42 GLN CB . 51406 1 208 . 1 . 1 38 38 GLN CG C 13 33.458 . . 1 . . . . . 42 GLN CG . 51406 1 209 . 1 . 1 39 39 LEU H H 1 8.154 0.005 . 1 . . . . . 43 LEU H . 51406 1 210 . 1 . 1 39 39 LEU C C 13 176.043 0.002 . 1 . . . . . 43 LEU C . 51406 1 211 . 1 . 1 39 39 LEU CA C 13 54.860 0.056 . 1 . . . . . 43 LEU CA . 51406 1 212 . 1 . 1 39 39 LEU CB C 13 41.738 0.057 . 1 . . . . . 43 LEU CB . 51406 1 213 . 1 . 1 39 39 LEU CG C 13 26.565 . . 1 . . . . . 43 LEU CG . 51406 1 214 . 1 . 1 39 39 LEU CD1 C 13 24.693 . . 2 . . . . . 43 LEU CD1 . 51406 1 215 . 1 . 1 39 39 LEU CD2 C 13 22.939 . . 2 . . . . . 43 LEU CD2 . 51406 1 216 . 1 . 1 39 39 LEU N N 15 124.474 0.046 . 1 . . . . . 43 LEU N . 51406 1 217 . 1 . 1 40 40 LEU H H 1 7.653 0.004 . 1 . . . . . 44 LEU H . 51406 1 218 . 1 . 1 40 40 LEU HA H 1 3.888 0.01 . 1 . . . . . 44 LEU HA . 51406 1 219 . 1 . 1 40 40 LEU HB2 H 1 1.226 0.012 . 2 . . . . . 44 LEU HB2 . 51406 1 220 . 1 . 1 40 40 LEU HB3 H 1 1.362 . . 2 . . . . . 44 LEU HB3 . 51406 1 221 . 1 . 1 40 40 LEU HD11 H 1 0.636 . . 2 . . . . . 44 LEU HD11 . 51406 1 222 . 1 . 1 40 40 LEU HD12 H 1 0.636 . . 2 . . . . . 44 LEU HD12 . 51406 1 223 . 1 . 1 40 40 LEU HD13 H 1 0.636 . . 2 . . . . . 44 LEU HD13 . 51406 1 224 . 1 . 1 40 40 LEU HD21 H 1 0.515 . . 2 . . . . . 44 LEU HD21 . 51406 1 225 . 1 . 1 40 40 LEU HD22 H 1 0.515 . . 2 . . . . . 44 LEU HD22 . 51406 1 226 . 1 . 1 40 40 LEU HD23 H 1 0.515 . . 2 . . . . . 44 LEU HD23 . 51406 1 227 . 1 . 1 40 40 LEU C C 13 182.276 . . 1 . . . . . 44 LEU C . 51406 1 228 . 1 . 1 40 40 LEU CA C 13 56.338 0.025 . 1 . . . . . 44 LEU CA . 51406 1 229 . 1 . 1 40 40 LEU CB C 13 43.000 . . 1 . . . . . 44 LEU CB . 51406 1 230 . 1 . 1 40 40 LEU N N 15 128.694 0.029 . 1 . . . . . 44 LEU N . 51406 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 51406 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 'peak list 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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC/HMQC' _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . aliased 4208.75420875 Hz . . . . . . 51406 1 2 . . N 15 15N . aliased 2837.68444949 Hz . . . . . . 51406 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51406 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Type _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . . 51406 1 2 1.0 . . . 51406 1 3 1.0 . . . 51406 1 4 1.0 . . . 51406 1 5 1.0 . . . 51406 1 6 1.0 . . . 51406 1 7 1.0 . . . 51406 1 8 1.0 . . . 51406 1 9 1.0 . . . 51406 1 10 1.0 . . . 51406 1 11 1.0 . . . 51406 1 12 1.0 . . . 51406 1 13 1.0 . . . 51406 1 14 1.0 . . . 51406 1 15 1.0 . . . 51406 1 16 1.0 . . . 51406 1 17 1.0 . . . 51406 1 18 1.0 . . . 51406 1 19 1.0 . . . 51406 1 20 1.0 . . . 51406 1 21 1.0 . . . 51406 1 22 1.0 . . . 51406 1 23 1.0 . . . 51406 1 24 1.0 . . . 51406 1 25 1.0 . . . 51406 1 26 1.0 . . . 51406 1 27 1.0 . . . 51406 1 28 1.0 . . . 51406 1 29 1.0 . . . 51406 1 30 1.0 . . . 51406 1 31 1.0 . . . 51406 1 32 1.0 . . . 51406 1 33 1.0 . . . 51406 1 34 1.0 . . . 51406 1 35 1.0 . . . 51406 1 36 1.0 . . . 51406 1 37 1.0 . . . 51406 1 38 1.0 . . . 51406 1 39 1.0 . . . 51406 1 40 1.0 . . . 51406 1 41 1.0 . . . 51406 1 42 1.0 . . . 51406 1 43 1.0 . . . 51406 1 44 1.0 . . . 51406 1 45 1.0 . . . 51406 1 46 1.0 . . . 51406 1 47 1.0 . . . 51406 1 48 1.0 . . . 51406 1 49 1.0 . . . 51406 1 50 1.0 . . . 51406 1 51 1.0 . . . 51406 1 52 1.0 . . . 51406 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 7988.96289062 . height 51406 1 1 59994.10742190 . volume 51406 1 2 130032.64062500 . height 51406 1 2 944908.07812500 . volume 51406 1 3 77442.47656250 . height 51406 1 3 574736.68359400 . volume 51406 1 4 401514.96875000 . height 51406 1 4 2924086.60938000 . volume 51406 1 5 141670.71875000 . height 51406 1 5 1037776.06250000 . volume 51406 1 6 49985.42187500 . height 51406 1 6 370202.27343800 . volume 51406 1 7 67002.79687500 . height 51406 1 7 504665.41015600 . volume 51406 1 8 27726.15625000 . height 51406 1 8 208066.18359400 . volume 51406 1 9 9527.84765625 . height 51406 1 9 71903.17187500 . volume 51406 1 10 98475.17187500 . height 51406 1 10 743041.73437500 . volume 51406 1 11 14358.24023440 . height 51406 1 11 113340.19531200 . volume 51406 1 12 57085.24609380 . height 51406 1 12 429920.06640600 . volume 51406 1 13 74427.40625000 . height 51406 1 13 556385.51171900 . volume 51406 1 14 38099.54687500 . height 51406 1 14 285937.14648400 . volume 51406 1 15 11281.57812500 . height 51406 1 15 84589.46289060 . volume 51406 1 16 67652.50000000 . height 51406 1 16 501691.68750000 . volume 51406 1 17 105799.35156200 . height 51406 1 17 773309.95312500 . volume 51406 1 18 10655.75000000 . height 51406 1 18 90472.76953120 . volume 51406 1 19 11975.68554690 . height 51406 1 19 94760.05859380 . volume 51406 1 20 20934.09765620 . height 51406 1 20 171134.51367200 . volume 51406 1 21 36435.97656250 . height 51406 1 21 261757.39257800 . volume 51406 1 22 6799.32617188 . height 51406 1 22 57357.35937500 . volume 51406 1 23 35091.13281250 . height 51406 1 23 254003.59375000 . volume 51406 1 24 78252.96875000 . height 51406 1 24 619938.19531200 . volume 51406 1 25 19550.98242190 . height 51406 1 25 156778.74609400 . volume 51406 1 26 11688.39843750 . height 51406 1 26 87746.04687500 . volume 51406 1 27 112379.60156200 . height 51406 1 27 830049.59375000 . volume 51406 1 28 19031.40429690 . height 51406 1 28 149565.92773400 . volume 51406 1 29 33605.89062500 . height 51406 1 29 268881.05664100 . volume 51406 1 30 12491.50585940 . height 51406 1 30 92973.63867190 . volume 51406 1 31 62756.34375000 . height 51406 1 31 464657.35546900 . volume 51406 1 32 57215.75000000 . height 51406 1 32 454488.22656200 . volume 51406 1 33 55693.53906250 . height 51406 1 33 415492.75000000 . volume 51406 1 34 33762.28125000 . height 51406 1 34 245445.30664100 . volume 51406 1 35 8240.17773438 . height 51406 1 35 69638.73828120 . volume 51406 1 36 152058.09375000 . height 51406 1 36 1190063.23438000 . volume 51406 1 37 31864.53710940 . height 51406 1 37 244334.69921900 . volume 51406 1 38 20206.17578120 . height 51406 1 38 167495.77148400 . volume 51406 1 39 20974.34960940 . height 51406 1 39 174244.30273400 . volume 51406 1 40 138783.59375000 . height 51406 1 40 1017605.07812000 . volume 51406 1 41 9796.84375000 . height 51406 1 41 82368.58789060 . volume 51406 1 42 9862.73828125 . height 51406 1 42 85761.26953120 . volume 51406 1 43 9967.75390625 . height 51406 1 43 86346.66796880 . volume 51406 1 44 60781.36718750 . height 51406 1 44 445171.18750000 . volume 51406 1 45 14246.66796880 . height 51406 1 45 89410.54296880 . volume 51406 1 46 10475.06250000 . height 51406 1 46 87317.61328120 . volume 51406 1 47 24572.79882810 . height 51406 1 47 205952.66406200 . volume 51406 1 48 75950.89843750 . height 51406 1 48 609829.89062500 . volume 51406 1 49 7392.52148438 . height 51406 1 49 64269.62109380 . volume 51406 1 50 12483.78515620 . height 51406 1 50 92160.04882810 . volume 51406 1 51 146230.60937500 . height 51406 1 51 1159776.48438000 . volume 51406 1 52 69007.30468750 . height 51406 1 52 564150.88281200 . volume 51406 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 7.945 . 21.5977781549 . . . . . . . . . . . 51406 1 1 2 129.292 . 22.0287705388 . . . . . . . . . . . 51406 1 2 1 7.441 . 20.1210831151 . . . . . . . . . . . 51406 1 2 2 129.106 . 19.2261767171 . . . . . . . . . . . 51406 1 3 1 7.878 . 21.3731318612 . . . . . . . . . . . 51406 1 3 2 128.805 . 20.2364450010 . . . . . . . . . . . 51406 1 4 1 7.653 . 19.9040880910 . . . . . . . . . . . 51406 1 4 2 128.709 . 19.3445741386 . . . . . . . . . . . 51406 1 5 1 7.736 . 21.6214845478 . . . . . . . . . . . 51406 1 5 2 127.920 . 19.0142876174 . . . . . . . . . . . 51406 1 6 1 7.843 . 21.3179423753 . . . . . . . . . . . 51406 1 6 2 127.483 . 20.1179630099 . . . . . . . . . . . 51406 1 7 1 7.538 . 25.2173304156 . . . . . . . . . . . 51406 1 7 2 127.482 . 19.9057779166 . . . . . . . . . . . 51406 1 8 1 7.593 . 21.0713457178 . . . . . . . . . . . 51406 1 8 2 127.462 . 54.4703405913 . . . . . . . . . . . 51406 1 9 1 7.668 . 25.8607896490 . . . . . . . . . . . 51406 1 9 2 127.328 . 20.1120008540 . . . . . . . . . . . 51406 1 10 1 7.619 . 27.0491196250 . . . . . . . . . . . 51406 1 10 2 127.080 . 20.3216488597 . . . . . . . . . . . 51406 1 11 1 8.269 . 29.9771727135 . . . . . . . . . . . 51406 1 11 2 126.783 . 24.1556956468 . . . . . . . . . . . 51406 1 12 1 7.883 . 24.0328887898 . . . . . . . . . . . 51406 1 12 2 126.808 . 20.4313778986 . . . . . . . . . . . 51406 1 13 1 7.567 . 24.8703892384 . . . . . . . . . . . 51406 1 13 2 126.830 . 19.4420405874 . . . . . . . . . . . 51406 1 14 1 7.534 . 38.3569435640 . . . . . . . . . . . 51406 1 14 2 126.683 . 18.7684438285 . . . . . . . . . . . 51406 1 15 1 7.789 . 25.0315676233 . . . . . . . . . . . 51406 1 15 2 126.614 . 20.3232979666 . . . . . . . . . . . 51406 1 16 1 7.645 . 20.9165642960 . . . . . . . . . . . 51406 1 16 2 126.533 . 20.1400356720 . . . . . . . . . . . 51406 1 17 1 7.594 . 20.7118614755 . . . . . . . . . . . 51406 1 17 2 126.290 . 19.2135335639 . . . . . . . . . . . 51406 1 18 1 7.573 . 22.2870195755 . . . . . . . . . . . 51406 1 18 2 126.043 . 43.0465962370 . . . . . . . . . . . 51406 1 19 1 8.071 . 31.7328255185 . . . . . . . . . . . 51406 1 19 2 125.500 . 25.0173751667 . . . . . . . . . . . 51406 1 20 1 8.158 . 42.8866206195 . . . . . . . . . . . 51406 1 20 2 125.203 . 28.0161281449 . . . . . . . . . . . 51406 1 21 1 7.488 . 20.2239362479 . . . . . . . . . . . 51406 1 21 2 125.019 . 18.4781164371 . . . . . . . . . . . 51406 1 22 1 8.101 . 88.4501821666 . . . . . . . . . . . 51406 1 22 2 124.681 . 32.2219428356 . . . . . . . . . . . 51406 1 23 1 7.501 . 20.1143098600 . . . . . . . . . . . 51406 1 23 2 124.581 . 19.1369980878 . . . . . . . . . . . 51406 1 24 1 8.379 . 32.0198108452 . . . . . . . . . . . 51406 1 24 2 124.478 . 24.5799812637 . . . . . . . . . . . 51406 1 25 1 8.154 . 34.9245338328 . . . . . . . . . . . 51406 1 25 2 124.471 . 26.2865955253 . . . . . . . . . . . 51406 1 26 1 7.889 . 20.3794702536 . . . . . . . . . . . 51406 1 26 2 124.369 . 21.7383585777 . . . . . . . . . . . 51406 1 27 1 7.813 . 22.2167784116 . . . . . . . . . . . 51406 1 27 2 124.291 . 19.5342214370 . . . . . . . . . . . 51406 1 28 1 8.458 . 30.4048912292 . . . . . . . . . . . 51406 1 28 2 123.874 . 23.2454731841 . . . . . . . . . . . 51406 1 29 1 8.116 . 37.0229886036 . . . . . . . . . . . 51406 1 29 2 123.698 . 25.9089923203 . . . . . . . . . . . 51406 1 30 1 7.488 . 20.5663619218 . . . . . . . . . . . 51406 1 30 2 123.709 . 20.4096857995 . . . . . . . . . . . 51406 1 31 1 7.951 . 21.5366934285 . . . . . . . . . . . 51406 1 31 2 123.644 . 20.0740291095 . . . . . . . . . . . 51406 1 32 1 8.072 . 30.7599853988 . . . . . . . . . . . 51406 1 32 2 123.454 . 25.2250780718 . . . . . . . . . . . 51406 1 33 1 7.880 . 22.6516464744 . . . . . . . . . . . 51406 1 33 2 123.472 . 21.0448879660 . . . . . . . . . . . 51406 1 34 1 7.886 . 20.8293899944 . . . . . . . . . . . 51406 1 34 2 123.058 . 20.0919578619 . . . . . . . . . . . 51406 1 35 1 7.669 . 126.3933300170 . . . . . . . . . . . 51406 1 35 2 123.081 . 34.8845317063 . . . . . . . . . . . 51406 1 36 1 7.770 . 27.8507469078 . . . . . . . . . . . 51406 1 36 2 123.021 . 23.4178260020 . . . . . . . . . . . 51406 1 37 1 7.827 . 75.5502669900 . . . . . . . . . . . 51406 1 37 2 122.805 . 22.1101264813 . . . . . . . . . . . 51406 1 38 1 7.969 . 42.2878146974 . . . . . . . . . . . 51406 1 38 2 122.573 . 35.8712050755 . . . . . . . . . . . 51406 1 39 1 7.954 . 44.4049586351 . . . . . . . . . . . 51406 1 39 2 122.494 . 33.3381768117 . . . . . . . . . . . 51406 1 40 1 7.613 . 21.4912875333 . . . . . . . . . . . 51406 1 40 2 121.189 . 19.0233365632 . . . . . . . . . . . 51406 1 41 1 8.029 . 126.1249084260 . . . . . . . . . . . 51406 1 41 2 121.002 . 40.0606132663 . . . . . . . . . . . 51406 1 42 1 7.930 . 125.5333774820 . . . . . . . . . . . 51406 1 42 2 121.026 . 107.3696319690 . . . . . . . . . . . 51406 1 43 1 7.919 . 136.9464377360 . . . . . . . . . . . 51406 1 43 2 120.894 . 103.9975042650 . . . . . . . . . . . 51406 1 44 1 7.655 . 21.1245283133 . . . . . . . . . . . 51406 1 44 2 120.886 . 18.9860413754 . . . . . . . . . . . 51406 1 45 1 7.611 . 53.7563152988 . . . . . . . . . . . 51406 1 45 2 120.720 . 13.4790390222 . . . . . . . . . . . 51406 1 46 1 7.987 . 44.0191339563 . . . . . . . . . . . 51406 1 46 2 120.658 . 54.9346276228 . . . . . . . . . . . 51406 1 47 1 7.923 . 114.9457763340 . . . . . . . . . . . 51406 1 47 2 120.132 . 34.7140394194 . . . . . . . . . . . 51406 1 48 1 7.809 . 38.5177456570 . . . . . . . . . . . 51406 1 48 2 119.871 . 24.5413329626 . . . . . . . . . . . 51406 1 49 1 7.888 . 151.7924094440 . . . . . . . . . . . 51406 1 49 2 119.806 . 112.1787660910 . . . . . . . . . . . 51406 1 50 1 7.575 . 21.8166546388 . . . . . . . . . . . 51406 1 50 2 115.129 . 19.5628059573 . . . . . . . . . . . 51406 1 51 1 7.509 . 34.2247562376 . . . . . . . . . . . 51406 1 51 2 113.846 . 25.4040273175 . . . . . . . . . . . 51406 1 52 1 7.817 . 39.9733683477 . . . . . . . . . . . 51406 1 52 2 119.905 . 26.2762780357 . . . . . . . . . . . 51406 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 7.945 . . 1 . . . . . . . . . . . . . . . . 23 . 51406 1 1 2 1 . . 129.292 . . 1 . . . . . . . . . . . . . . . . 24 . 51406 1 2 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 1 2 2 2 . . 129.106 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 1 3 1 1 . . 7.878 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 1 3 2 1 . . 128.805 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 1 4 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 1 4 2 1 . . 128.709 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 1 5 1 1 . . 7.736 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 1 5 2 1 . . 127.920 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 1 6 1 1 . . 7.843 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 1 6 2 1 . . 127.483 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 1 7 1 1 . . 7.538 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 1 7 2 1 . . 127.482 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 1 8 1 1 . . 7.593 . . 1 . . . . . . . . . . . . . . . . 66 . 51406 1 8 2 1 . . 127.462 . . 1 . . . . . . . . . . . . . . . . 67 . 51406 1 9 1 1 . . 7.668 . . 1 . . . . . . . . . . . . . . . . 80 . 51406 1 9 2 1 . . 127.328 . . 1 . . . . . . . . . . . . . . . . 81 . 51406 1 10 1 1 . . 7.619 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 1 10 2 1 . . 127.080 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 1 11 1 1 . . 8.269 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 1 11 2 1 . . 126.783 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 1 12 1 1 . . 7.883 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 1 12 2 1 . . 126.808 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 1 13 1 1 . . 7.567 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 1 13 2 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 1 14 1 1 . . 7.534 . . 1 . . . . . . . . . . . . . . . . 76 . 51406 1 14 2 1 . . 126.683 . . 1 . . . . . . . . . . . . . . . . 77 . 51406 1 15 1 1 . . 7.789 . . 1 . . . . . . . . . . . . . . . . 96 . 51406 1 15 2 1 . . 126.614 . . 1 . . . . . . . . . . . . . . . . 97 . 51406 1 16 1 1 . . 7.645 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 1 16 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 1 17 1 1 . . 7.594 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 1 17 2 1 . . 126.290 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 1 18 1 1 . . 7.573 . . 1 . . . . . . . . . . . . . . . . 100 . 51406 1 18 2 1 . . 126.043 . . 1 . . . . . . . . . . . . . . . . 101 . 51406 1 19 1 1 . . 8.071 . . 1 . . . . . . . . . . . . . . . . 33 . 51406 1 19 2 1 . . 125.500 . . 1 . . . . . . . . . . . . . . . . 34 . 51406 1 20 1 1 . . 8.158 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 1 20 2 1 . . 125.203 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 1 21 1 1 . . 7.488 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 1 21 2 1 . . 125.019 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 1 22 1 1 . . 8.101 . . 1 . . . . . . . . . . . . . . . . 70 . 51406 1 22 2 1 . . 124.681 . . 1 . . . . . . . . . . . . . . . . 71 . 51406 1 23 1 1 . . 7.501 . . 1 . . . . . . . . . . . . . . . . 88 . 51406 1 23 2 1 . . 124.581 . . 1 . . . . . . . . . . . . . . . . 89 . 51406 1 24 1 1 . . 8.379 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 1 24 2 1 . . 124.478 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 1 25 1 1 . . 8.154 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 1 25 2 1 . . 124.471 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 1 26 1 1 . . 7.889 . . 1 . . . . . . . . . . . . . . . . 15 . 51406 1 26 2 1 . . 124.369 . . 1 . . . . . . . . . . . . . . . . 16 . 51406 1 27 1 1 . . 7.813 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 1 27 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 1 28 1 1 . . 8.458 . . 1 . . . . . . . . . . . . . . . . 92 . 51406 1 28 2 1 . . 123.874 . . 1 . . . . . . . . . . . . . . . . 93 . 51406 1 29 1 1 . . 8.116 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 1 29 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 1 30 1 1 . . 7.488 . . 1 . . . . . . . . . . . . . . . . 84 . 51406 1 30 2 1 . . 123.709 . . 1 . . . . . . . . . . . . . . . . 85 . 51406 1 31 1 1 . . 7.951 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 1 31 2 1 . . 123.644 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 1 32 1 1 . . 8.072 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 1 32 2 1 . . 123.454 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 1 33 1 1 . . 7.880 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 1 33 2 1 . . 123.472 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 1 34 1 1 . . 7.886 . . 1 . . . . . . . . . . . . . . . . 98 . 51406 1 34 2 1 . . 123.058 . . 1 . . . . . . . . . . . . . . . . 99 . 51406 1 35 1 1 . . 7.669 . . 1 . . . . . . . . . . . . . . . . 47 . 51406 1 35 2 1 . . 123.081 . . 1 . . . . . . . . . . . . . . . . 48 . 51406 1 36 1 1 . . 7.770 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 1 36 2 1 . . 123.021 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 1 37 1 1 . . 7.827 . . 1 . . . . . . . . . . . . . . . . 68 . 51406 1 37 2 1 . . 122.805 . . 1 . . . . . . . . . . . . . . . . 69 . 51406 1 38 1 1 . . 7.969 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 1 38 2 1 . . 122.573 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 1 39 1 1 . . 7.954 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 1 39 2 1 . . 122.494 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 1 40 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 1 40 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 1 41 1 1 . . 8.029 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 1 41 2 1 . . 121.002 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 1 42 1 1 . . 7.930 . . 1 . . . . . . . . . . . . . . . . 74 . 51406 1 42 2 1 . . 121.026 . . 1 . . . . . . . . . . . . . . . . 75 . 51406 1 43 1 1 . . 7.919 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 1 43 2 1 . . 120.894 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 1 44 1 1 . . 7.655 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 1 44 2 1 . . 120.886 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 1 45 1 1 . . 7.611 . . 1 . . . . . . . . . . . . . . . . 82 . 51406 1 45 2 1 . . 120.720 . . 1 . . . . . . . . . . . . . . . . 83 . 51406 1 46 1 1 . . 7.987 . . 1 . . . . . . . . . . . . . . . . 57 . 51406 1 46 2 1 . . 120.658 . . 1 . . . . . . . . . . . . . . . . 58 . 51406 1 47 1 1 . . 7.923 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 1 47 2 1 . . 120.132 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 1 48 1 1 . . 7.809 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 1 48 2 1 . . 119.871 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 1 49 1 1 . . 7.888 . . 1 . . . . . . . . . . . . . . . . 13 . 51406 1 49 2 1 . . 119.806 . . 1 . . . . . . . . . . . . . . . . 14 . 51406 1 50 1 1 . . 7.575 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 1 50 2 1 . . 115.129 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 1 51 1 1 . . 7.509 . . 1 . . . . . . . . . . . . . . . . 29 . 51406 1 51 2 1 . . 113.846 . . 1 . . . . . . . . . . . . . . . . 30 . 51406 1 52 1 1 . . 7.817 . . 1 . . . . . . . . . . . . . . . . 247 . 51406 1 52 2 1 . . 119.905 . . 1 . . . . . . . . . . . . . . . . 248 . 51406 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 51406 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name 'peak list 1 2' _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D HNCACB' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . aliased 5252.10084034 Hz . . . . . . 51406 2 2 . . N 15 15N . aliased 2483.85494287 Hz . . . . . . 51406 2 3 . . C 13 13C . aliased 13192.61213720 Hz . . . . . . 51406 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51406 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Type _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . . 51406 2 2 1.0 . . . 51406 2 3 1.0 . . . 51406 2 4 1.0 . . . 51406 2 5 1.0 . . . 51406 2 6 1.0 . . . 51406 2 7 1.0 . . . 51406 2 8 1.0 . . . 51406 2 9 1.0 . . . 51406 2 10 1.0 . . . 51406 2 11 1.0 . . . 51406 2 12 1.0 . . . 51406 2 13 1.0 . . . 51406 2 14 1.0 . . . 51406 2 15 1.0 . . . 51406 2 16 1.0 . . . 51406 2 17 1.0 . . . 51406 2 18 1.0 . . . 51406 2 19 1.0 . . . 51406 2 20 1.0 . . . 51406 2 21 1.0 . . . 51406 2 22 1.0 . . . 51406 2 23 1.0 . . . 51406 2 24 1.0 . . . 51406 2 25 1.0 . . . 51406 2 26 1.0 . . . 51406 2 27 1.0 . . . 51406 2 28 1.0 . . . 51406 2 29 1.0 . . . 51406 2 30 1.0 . . . 51406 2 31 1.0 . . . 51406 2 32 1.0 . . . 51406 2 33 1.0 . . . 51406 2 34 1.0 . . . 51406 2 35 1.0 . . . 51406 2 36 1.0 . . . 51406 2 37 1.0 . . . 51406 2 38 1.0 . . . 51406 2 39 1.0 . . . 51406 2 40 1.0 . . . 51406 2 41 1.0 . . . 51406 2 42 1.0 . . . 51406 2 43 1.0 . . . 51406 2 44 1.0 . . . 51406 2 45 1.0 . . . 51406 2 46 1.0 . . . 51406 2 47 1.0 . . . 51406 2 48 1.0 . . . 51406 2 49 1.0 . . . 51406 2 50 1.0 . . . 51406 2 51 1.0 . . . 51406 2 52 1.0 . . . 51406 2 53 1.0 . . . 51406 2 54 1.0 . . . 51406 2 55 1.0 . . . 51406 2 56 1.0 . . . 51406 2 57 1.0 . . . 51406 2 58 1.0 . . . 51406 2 59 1.0 . . . 51406 2 60 1.0 . . . 51406 2 61 1.0 . . . 51406 2 62 1.0 . . . 51406 2 63 1.0 . . . 51406 2 64 1.0 . . . 51406 2 65 1.0 . . . 51406 2 66 1.0 . . . 51406 2 67 1.0 . . . 51406 2 68 1.0 . . . 51406 2 69 1.0 . . . 51406 2 70 1.0 . . . 51406 2 71 1.0 . . . 51406 2 72 1.0 . . . 51406 2 73 1.0 . . . 51406 2 74 1.0 . . . 51406 2 75 1.0 . . . 51406 2 76 1.0 . . . 51406 2 77 1.0 . . . 51406 2 78 1.0 . . . 51406 2 79 1.0 . . . 51406 2 80 1.0 . . . 51406 2 81 1.0 . . . 51406 2 82 1.0 . . . 51406 2 83 1.0 . . . 51406 2 84 1.0 . . . 51406 2 85 1.0 . . . 51406 2 86 1.0 . . . 51406 2 87 1.0 . . . 51406 2 88 1.0 . . . 51406 2 89 1.0 . . . 51406 2 90 1.0 . . . 51406 2 91 1.0 . . . 51406 2 92 1.0 . . . 51406 2 93 1.0 . . . 51406 2 94 1.0 . . . 51406 2 95 1.0 . . . 51406 2 96 1.0 . . . 51406 2 97 1.0 . . . 51406 2 98 1.0 . . . 51406 2 99 1.0 . . . 51406 2 100 1.0 . . . 51406 2 101 1.0 . . . 51406 2 102 1.0 . . . 51406 2 103 1.0 . . . 51406 2 104 1.0 . . . 51406 2 105 1.0 . . . 51406 2 106 1.0 . . . 51406 2 107 1.0 . . . 51406 2 108 1.0 . . . 51406 2 109 1.0 . . . 51406 2 110 1.0 . . . 51406 2 111 1.0 . . . 51406 2 112 1.0 . . . 51406 2 113 1.0 . . . 51406 2 114 1.0 . . . 51406 2 115 1.0 . . . 51406 2 116 1.0 . . . 51406 2 117 1.0 . . . 51406 2 118 1.0 . . . 51406 2 119 1.0 . . . 51406 2 120 1.0 . . . 51406 2 121 1.0 . . . 51406 2 122 1.0 . . . 51406 2 123 1.0 . . . 51406 2 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 307113.8437500 . height 51406 2 1 6948929.3437500 . volume 51406 2 2 205256.0937500 . height 51406 2 2 4578980.3906200 . volume 51406 2 3 -282787.0625000 . height 51406 2 3 -6494487.4218800 . volume 51406 2 4 -229763.0625000 . height 51406 2 4 -5357503.1562500 . volume 51406 2 5 185797.1406250 . height 51406 2 5 3847064.6250000 . volume 51406 2 6 14348.8906250 . height 51406 2 6 288779.2656250 . volume 51406 2 7 -11515.6796875 . height 51406 2 7 -258217.9296880 . volume 51406 2 8 283249.2500000 . height 51406 2 8 6168661.2343800 . volume 51406 2 9 -427239.3125000 . height 51406 2 9 -9108733.9687500 . volume 51406 2 10 -76634.9453125 . height 51406 2 10 -1680840.0703100 . volume 51406 2 11 588117.3750000 . height 51406 2 11 12772339.0000000 . volume 51406 2 12 600733.0625000 . height 51406 2 12 12961195.2656000 . volume 51406 2 13 -642661.8750000 . height 51406 2 13 -13512159.8750000 . volume 51406 2 14 -116958.2578120 . height 51406 2 14 -2504379.0078100 . volume 51406 2 15 319170.2500000 . height 51406 2 15 6714658.8125000 . volume 51406 2 16 66396.4218750 . height 51406 2 16 1347621.0546900 . volume 51406 2 17 -299991.4375000 . height 51406 2 17 -6335682.3593800 . volume 51406 2 18 -67624.3906250 . height 51406 2 18 -1422138.1171900 . volume 51406 2 19 90764.3203125 . height 51406 2 19 2054333.5078100 . volume 51406 2 20 -86963.6328125 . height 51406 2 20 -1932165.7968800 . volume 51406 2 21 1372849.8750000 . height 51406 2 21 28759459.9375000 . volume 51406 2 22 430298.5000000 . height 51406 2 22 8748920.0156200 . volume 51406 2 23 -1156088.2500000 . height 51406 2 23 -24186412.8750000 . volume 51406 2 24 -380059.6875000 . height 51406 2 24 -8071903.2656200 . volume 51406 2 25 456627.5625000 . height 51406 2 25 10338373.1562000 . volume 51406 2 26 194233.8281250 . height 51406 2 26 4354095.7578100 . volume 51406 2 27 -385184.8125000 . height 51406 2 27 -8409471.5312500 . volume 51406 2 28 -200190.2812500 . height 51406 2 28 -4417174.1640600 . volume 51406 2 29 111914.2031250 . height 51406 2 29 2522853.4453100 . volume 51406 2 30 28408.7890625 . height 51406 2 30 604522.6562500 . volume 51406 2 31 -42158.1171875 . height 51406 2 31 -852190.8437500 . volume 51406 2 32 62607.7421875 . height 51406 2 32 1304363.1093800 . volume 51406 2 33 159251.2812500 . height 51406 2 33 3342319.9687500 . volume 51406 2 34 -147561.0625000 . height 51406 2 34 -3121936.5156200 . volume 51406 2 35 -68212.2031250 . height 51406 2 35 -1436093.8359400 . volume 51406 2 36 745623.1250000 . height 51406 2 36 16416355.0312000 . volume 51406 2 37 228375.7343750 . height 51406 2 37 5088563.9218800 . volume 51406 2 38 -721746.8750000 . height 51406 2 38 -16195077.3438000 . volume 51406 2 39 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117.5571871940 . . . . . . . . . . . 51406 2 66 1 7.488 . 17.7953047913 . . . . . . . . . . . 51406 2 66 2 125.231 . 51.7474097869 . . . . . . . . . . . 51406 2 66 3 41.840 . 132.3388245620 . . . . . . . . . . . 51406 2 67 1 7.489 . 20.8672605643 . . . . . . . . . . . 51406 2 67 2 124.974 . 60.1618652964 . . . . . . . . . . . 51406 2 67 3 31.450 . 118.7736566590 . . . . . . . . . . . 51406 2 68 1 7.593 . 20.9154702034 . . . . . . . . . . . 51406 2 68 2 126.276 . 52.5120843777 . . . . . . . . . . . 51406 2 68 3 55.418 . 109.7834204620 . . . . . . . . . . . 51406 2 69 1 7.591 . 22.7846893944 . . . . . . . . . . . 51406 2 69 2 126.395 . 71.4837868179 . . . . . . . . . . . 51406 2 69 3 58.903 . 107.8211065960 . . . . . . . . . . . 51406 2 70 1 7.591 . 23.8299620252 . . . . . . . . . . . 51406 2 70 2 126.383 . 73.3278887934 . . . . . . . . . . . 51406 2 70 3 39.121 . 116.1032427580 . . . . . . . . . . . 51406 2 71 1 7.594 . 21.0435074918 . . . . . . . . . . . 51406 2 71 2 126.261 . 57.3216876875 . . . . . . . . . . . 51406 2 71 3 29.327 . 114.1051503790 . . . . . . . . . . . 51406 2 72 1 7.573 . 36.7564063112 . . . . . . . . . . . 51406 2 72 2 126.748 . 62.6646015577 . . . . . . . . . . . 51406 2 72 3 58.915 . 104.5479623500 . . . . . . . . . . . 51406 2 73 1 7.569 . 28.5714113412 . . . . . . . . . . . 51406 2 73 2 126.783 . 51.5547236340 . . . . . . . . . . . 51406 2 73 3 61.464 . 115.4853753490 . . . . . . . . . . . 51406 2 74 1 7.569 . 26.1092761985 . . . . . . . . . . . 51406 2 74 2 126.835 . 53.7158731673 . . . . . . . . . . . 51406 2 74 3 69.704 . 118.0922922170 . . . . . . . . . . . 51406 2 75 1 7.575 . 38.7849677511 . . . . . . . . . . . 51406 2 75 2 126.716 . 65.4505561136 . . . . . . . . . . . 51406 2 75 3 39.091 . 113.9958489850 . . . . . . . . . . . 51406 2 76 1 7.953 . 22.1695469207 . . . . . . . . . . . 51406 2 76 2 123.597 . 68.1028961839 . . . . . . . . . . . 51406 2 76 3 54.815 . 109.9454067000 . . . . . . . . . . . 51406 2 77 1 7.953 . 26.5187450818 . . . . . . . . . . . 51406 2 77 2 123.501 . 106.3204143280 . . . . . . . . . . . 51406 2 77 3 52.194 . 114.5226974290 . . . . . . . . . . . 51406 2 78 1 7.952 . 21.1674751354 . . . . . . . . . . . 51406 2 78 2 123.629 . 70.6444583718 . . . . . . . . . . . 51406 2 78 3 40.226 . 114.9009274300 . . . . . . . . . . . 51406 2 79 1 7.954 . 22.1889559962 . . . . . . . . . . . 51406 2 79 2 123.723 . 90.3276116825 . . . . . . . . . . . 51406 2 79 3 19.229 . 112.2934208070 . . . . . . . . . . . 51406 2 80 1 7.655 . 53.6779896552 . . . . . . . . . . . 51406 2 80 2 120.869 . 54.1065382353 . . . . . . . . . . . 51406 2 80 3 63.103 . 112.0756043610 . . . . . . . . . . . 51406 2 81 1 7.655 . 54.4775183461 . . . . . . . . . . . 51406 2 81 2 120.860 . 54.4709615665 . . . . . . . . . . . 51406 2 81 3 70.425 . 114.7224280320 . . . . . . . . . . . 51406 2 82 1 7.656 . 20.2574399339 . . . . . . . . . . . 51406 2 82 2 120.914 . 56.4370561582 . . . . . . . . . . . 51406 2 82 3 55.955 . 115.3609368920 . . . . . . . . . . . 51406 2 83 1 7.654 . 21.9303770226 . . . . . . . . . . . 51406 2 83 2 120.895 . 53.5451353218 . . . . . . . . . . . 51406 2 83 3 32.851 . 105.5057256390 . . . . . . . . . . . 51406 2 84 1 7.879 . 21.4745767978 . . . . . . . . . . . 51406 2 84 2 128.802 . 52.7918605264 . . . . . . . . . . . 51406 2 84 3 57.656 . 108.2744321600 . . . . . . . . . . . 51406 2 85 1 7.880 . 21.1950235006 . . . . . . . . . . . 51406 2 85 2 128.818 . 54.7962998846 . . . . . . . . . . . 51406 2 85 3 61.528 . 127.8177572110 . . . . . . . . . . . 51406 2 86 1 7.880 . 22.5420759506 . . . . . . . . . . . 51406 2 86 2 128.803 . 53.1864859130 . . . . . . . . . . . 51406 2 86 3 69.820 . 131.0494219720 . . . . . . . . . . . 51406 2 87 1 7.880 . 21.3596875928 . . . . . . . . . . . 51406 2 87 2 128.797 . 53.7509238371 . . . . . . . . . . . 51406 2 87 3 33.204 . 120.2645591190 . . . . . . . . . . . 51406 2 88 1 8.166 . 41.1137437620 . . . . . . . . . . . 51406 2 88 2 125.262 . 51.2594023097 . . . . . . . . . . . 51406 2 88 3 54.036 . 141.1191077220 . . . . . . . . . . . 51406 2 89 1 8.160 . 39.2658119442 . . . . . . . . . . . 51406 2 89 2 125.189 . 54.9875425570 . . . . . . . . . . . 51406 2 89 3 52.752 . 114.3528477810 . . . . . . . . . . . 51406 2 90 1 8.161 . 41.9107680561 . . . . . . . . . . . 51406 2 90 2 125.210 . 55.9000073531 . . . . . . . . . . . 51406 2 90 3 18.811 . 114.2553415020 . . . . . . . . . . . 51406 2 91 1 8.160 . 39.2460898191 . . . . . . . . . . . 51406 2 91 2 125.242 . 54.4143697248 . . . . . . . . . . . 51406 2 91 3 41.058 . 121.1263888110 . . . . . . . . . . . 51406 2 92 1 8.114 . 71.6924291699 . . . . . . . . . . . 51406 2 92 2 123.597 . 71.5313476528 . . . . . . . . . . . 51406 2 92 3 56.048 . 123.5133267960 . . . . . . . . . . . 51406 2 93 1 8.117 . 70.2426964495 . . . . . . . . . . . 51406 2 93 2 123.698 . 71.1429403365 . . . . . . . . . . . 51406 2 93 3 53.653 . 108.5064027430 . . . . . . . . . . . 51406 2 94 1 8.116 . 81.7982965157 . . . . . . . . . . . 51406 2 94 2 123.698 . 77.6186903732 . . . . . . . . . . . 51406 2 94 3 41.602 . 273.3737938010 . . . . . . . . . . . 51406 2 95 1 8.116 . 77.4944905473 . . . . . . . . . . . 51406 2 95 2 123.698 . 70.5243903964 . . . . . . . . . . . 51406 2 95 3 40.711 . 292.8892037480 . . . . . . . . . . . 51406 2 96 1 8.156 . 30.0111264742 . . . . . . . . . . . 51406 2 96 2 124.450 . 60.8004389032 . . . . . . . . . . . 51406 2 96 3 54.960 . 219.3498108190 . . . . . . . . . . . 51406 2 97 1 8.155 . 28.9790019268 . . . . . . . . . . . 51406 2 97 2 124.471 . 67.3095740552 . . . . . . . . . . . 51406 2 97 3 55.542 . 262.9925204460 . . . . . . . . . . . 51406 2 98 1 8.154 . 35.2021150228 . . . . . . . . . . . 51406 2 98 2 124.437 . 73.8312933970 . . . . . . . . . . . 51406 2 98 3 41.784 . 113.6176189840 . . . . . . . . . . . 51406 2 99 1 8.154 . 36.7122663169 . . . . . . . . . . . 51406 2 99 2 124.416 . 66.2117145337 . . . . . . . . . . . 51406 2 99 3 29.191 . 117.7278231820 . . . . . . . . . . . 51406 2 100 1 7.920 . 40.9979154082 . . . . . . . . . . . 51406 2 100 2 120.603 . 70.5480042584 . . . . . . . . . . . 51406 2 100 3 57.915 . 293.8768479940 . . . . . . . . . . . 51406 2 102 1 7.915 . 51.2731425902 . . . . . . . . . . . 51406 2 102 2 120.641 . 80.4621990913 . . . . . . . . . . . 51406 2 102 3 38.582 . 117.8905957610 . . . . . . . . . . . 51406 2 103 1 7.916 . 43.0358683362 . . . . . . . . . . . 51406 2 103 2 120.972 . 69.9199051390 . . . . . . . . . . . 51406 2 103 3 28.881 . 131.1380819150 . . . . . . . . . . . 51406 2 104 1 8.270 . 23.2852557126 . . . . . . . . . . . 51406 2 104 2 126.819 . 60.8072121583 . . . . . . . . . . . 51406 2 104 3 54.138 . 108.0169054950 . . . . . . . . . . . 51406 2 105 1 8.274 . 27.3120127806 . . . . . . . . . . . 51406 2 105 2 126.900 . 66.9162440999 . . . . . . . . . . . 51406 2 105 3 40.752 . 108.9184454060 . . . . . . . . . . . 51406 2 106 1 8.263 . 26.5049708992 . . . . . . . . . . . 51406 2 106 2 126.844 . 55.1023547826 . . . . . . . . . . . 51406 2 106 3 40.052 . 69.5951066734 . . . . . . . . . . . 51406 2 107 1 7.619 . 64.7624500659 . . . . . . . . . . . 51406 2 107 2 127.028 . 58.0604166399 . . . . . . . . . . . 51406 2 107 3 39.108 . 111.6391851280 . . . . . . . . . . . 51406 2 108 1 7.644 . 94.2401400133 . . . . . . . . . . . 51406 2 108 2 126.533 . 71.7946163055 . . . . . . . . . . . 51406 2 108 3 58.904 . 96.3920339116 . . . . . . . . . . . 51406 2 110 1 7.645 . 81.5829183875 . . . . . . . . . . . 51406 2 110 2 126.533 . 75.8475766985 . . . . . . . . . . . 51406 2 110 3 39.108 . 103.8779998520 . . . . . . . . . . . 51406 2 112 1 8.037 . 61.7831569760 . . . . . . . . . . . 51406 2 112 2 120.750 . 92.9902041663 . . . . . . . . . . . 51406 2 112 3 40.618 . 124.3802677040 . . . . . . . . . . . 51406 2 113 1 8.031 . 51.0652776526 . . . . . . . . . . . 51406 2 113 2 120.747 . 63.4773181436 . . . . . . . . . . . 51406 2 113 3 54.399 . 115.6164977040 . . . . . . . . . . . 51406 2 114 1 8.036 . 40.9284183959 . . . . . . . . . . . 51406 2 114 2 120.815 . 79.9840739042 . . . . . . . . . . . 51406 2 114 3 30.746 . 126.3940869030 . . . . . . . . . . . 51406 2 115 1 7.907 . 53.0853867531 . . . . . . . . . . . 51406 2 115 2 120.809 . 90.8494114106 . . . . . . . . . . . 51406 2 115 3 55.858 . 135.8191696510 . . . . . . . . . . . 51406 2 116 1 7.945 . 31.9376337428 . . . . . . . . . . . 51406 2 116 2 122.316 . 52.4838439754 . . . . . . . . . . . 51406 2 116 3 54.750 . 165.1587303840 . . . . . . . . . . . 51406 2 117 1 7.948 . 26.9563884294 . . . . . . . . . . . 51406 2 117 2 122.370 . 46.5638709791 . . . . . . . . . . . 51406 2 117 3 53.948 . 330.5942527850 . . . . . . . . . . . 51406 2 118 1 7.945 . 27.4450588627 . . . . . . . . . . . 51406 2 118 2 122.391 . 48.8573025544 . . . . . . . . . . . 51406 2 118 3 42.000 . 121.6956996670 . . . . . . . . . . . 51406 2 119 1 7.948 . 34.7845068499 . . . . . . . . . . . 51406 2 119 2 122.273 . 58.6318128807 . . . . . . . . . . . 51406 2 119 3 40.722 . 150.8492907620 . . . . . . . . . . . 51406 2 120 1 7.836 . 46.4800400894 . . . . . . . . . . . 51406 2 120 2 119.656 . 60.8278280221 . . . . . . . . . . . 51406 2 120 3 56.144 . 302.2922689490 . . . . . . . . . . . 51406 2 121 1 7.844 . 44.1578381202 . . . . . . . . . . . 51406 2 121 2 119.628 . 61.7466219254 . . . . . . . . . . . 51406 2 121 3 30.812 . 113.1811997510 . . . . . . . . . . . 51406 2 122 1 7.970 . 28.8252945708 . . . . . . . . . . . 51406 2 122 2 122.697 . 53.9155546493 . . . . . . . . . . . 51406 2 122 3 47.338 . 120.5531462520 . . . . . . . . . . . 51406 2 123 1 7.884 . 24.5621850511 . . . . . . . . . . . 51406 2 123 2 123.501 . 59.9347946955 . . . . . . . . . . . 51406 2 123 3 56.120 . 115.3550393350 . . . . . . . . . . . 51406 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.071 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 2 1 2 1 . . 123.434 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 2 1 3 1 . . 56.123 . . 1 . . . . . . . . . . . . . . . . 102 . 51406 2 2 1 1 . . 8.068 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 2 2 2 1 . . 123.391 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 2 2 3 1 . . 53.822 . . 1 . . . . . . . . . . . . . . . . 103 . 51406 2 3 1 1 . . 8.070 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 2 3 2 1 . . 123.436 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 2 3 3 1 . . 41.615 . . 1 . . . . . . . . . . . . . . . . 104 . 51406 2 4 1 1 . . 8.071 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 2 4 2 1 . . 123.424 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 2 4 3 1 . . 40.700 . . 1 . . . . . . . . . . . . . . . . 105 . 51406 2 5 1 1 . . 7.575 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 2 5 2 1 . . 115.139 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 2 5 3 1 . . 45.767 . . 1 . 1 1 38 GLY CA . . . . . . . . . . 107 . 51406 2 6 1 1 . . 7.581 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 2 6 2 1 . . 114.733 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 2 6 3 1 . . 54.989 . . 1 . 1 1 37 LEU CA . . . . . . . . . . 108 . 51406 2 7 1 1 . . 7.574 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 2 7 2 1 . . 115.070 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 2 7 3 1 . . 42.192 . . 1 . 1 1 37 LEU CB . . . . . . . . . . 240 . 51406 2 8 1 1 . . 7.884 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 2 8 2 1 . . 123.277 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 2 8 3 1 . . 59.937 . . 1 . . . . . . . . . . . . . . . . 109 . 51406 2 9 1 1 . . 7.884 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 2 9 2 1 . . 123.274 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 2 9 3 1 . . 64.479 . . 1 . . . . . . . . . . . . . . . . 110 . 51406 2 10 1 1 . . 7.884 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 2 10 2 1 . . 123.320 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 2 10 3 1 . . 32.842 . . 1 . . . . . . . . . . . . . . . . 112 . 51406 2 11 1 1 . . 7.814 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 2 11 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 2 11 3 2 . . 54.557 . . 1 . 1 1 25 ASN CA . . . . . . . . . . 114 . 51406 2 12 1 1 . . 7.813 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 2 12 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 2 12 3 2 . . 54.782 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 115 . 51406 2 13 1 1 . . 7.813 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 2 13 2 1 . . 124.283 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 2 13 3 1 . . 40.067 . . 1 . 1 1 25 ASN CB . . . . . . . . . . 116 . 51406 2 14 1 1 . . 7.813 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 2 14 2 1 . . 124.263 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 2 14 3 1 . . 41.874 . . 1 . 1 1 24 LEU CB . . . . . . . . . . 117 . 51406 2 15 1 1 . . 7.738 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 2 15 2 1 . . 127.929 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 2 15 3 1 . . 57.437 . . 1 . 1 1 18 LYS CA . . . . . . . . . . 122 . 51406 2 16 1 1 . . 7.738 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 2 16 2 1 . . 127.880 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 2 16 3 1 . . 55.793 . . 1 . 1 1 17 ARG CA . . . . . . . . . . 123 . 51406 2 17 1 1 . . 7.738 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 2 17 2 1 . . 127.930 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 2 17 3 1 . . 33.227 . . 1 . 1 1 18 LYS CB . . . . . . . . . . 124 . 51406 2 18 1 1 . . 7.737 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 2 18 2 1 . . 127.872 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 2 18 3 1 . . 30.206 . . 1 . 1 1 17 ARG CB . . . . . . . . . . 125 . 51406 2 19 1 1 . . 7.970 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 2 19 2 1 . . 122.724 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 2 19 3 1 . . 52.376 . . 1 . . . . . . . . . . . . . . . . 129 . 51406 2 20 1 1 . . 7.964 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 2 20 2 1 . . 122.701 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 2 20 3 1 . . 18.839 . . 1 . . . . . . . . . . . . . . . . 130 . 51406 2 21 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 2 21 2 1 . . 128.684 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 2 21 3 1 . . 56.363 . . 1 . 1 1 44 LEU CA . . . . . . . . . . 131 . 51406 2 22 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 2 22 2 1 . . 128.690 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 2 22 3 1 . . 54.880 . . 1 . 1 1 43 LEU CA . . . . . . . . . . 132 . 51406 2 23 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 2 23 2 1 . . 128.692 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 2 23 3 1 . . 43.000 . . 1 . 1 1 44 LEU CB . . . . . . . . . . 133 . 51406 2 24 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 2 24 2 1 . . 128.675 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 2 24 3 1 . . 41.788 . . 1 . 1 1 43 LEU CB . . . . . . . . . . 134 . 51406 2 25 1 1 . . 7.806 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 2 25 2 1 . . 119.847 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 2 25 3 1 . . 55.400 . . 1 . 1 1 11 ASN CA . . . . . . . . . . 140 . 51406 2 26 1 1 . . 7.806 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 2 26 2 1 . . 119.875 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 2 26 3 1 . . 52.777 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 216 . 51406 2 27 1 1 . . 7.806 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 2 27 2 1 . . 119.823 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 2 27 3 1 . . 41.775 . . 1 . 1 1 11 ASN CB . . . . . . . . . . 141 . 51406 2 28 1 1 . . 7.806 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 2 28 2 1 . . 119.863 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 2 28 3 1 . . 18.655 . . 1 . . . . . . . . . . . . . . . . 142 . 51406 2 29 1 1 . . 7.621 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 2 29 2 1 . . 127.025 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 2 29 3 1 . . 58.959 . . 1 . . . . . . . . . . . . . . . . 143 . 51406 2 30 1 1 . . 7.623 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 2 30 2 1 . . 127.031 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 2 30 3 1 . . 61.407 . . 1 . . . . . . . . . . . . . . . . 144 . 51406 2 31 1 1 . . 7.617 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 2 31 2 1 . . 127.081 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 2 31 3 1 . . 69.738 . . 1 . . . . . . . . . . . . . . . . 145 . 51406 2 32 1 1 . . 7.847 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 2 32 2 1 . . 127.430 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 2 32 3 1 . . 55.590 . . 1 . 1 1 34 GLN CA . . . . . . . . . . 148 . 51406 2 33 1 1 . . 7.846 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 2 33 2 1 . . 127.464 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 2 33 3 1 . . 57.330 . . 1 . 1 1 35 ARG CA . . . . . . . . . . 147 . 51406 2 34 1 1 . . 7.845 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 2 34 2 1 . . 127.460 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 2 34 3 1 . . 30.967 . . 1 . 1 1 35 ARG CB . . . . . . . . . . 149 . 51406 2 35 1 1 . . 7.844 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 2 35 2 1 . . 127.426 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 2 35 3 1 . . 29.288 . . 1 . 1 1 34 GLN CB . . . . . . . . . . 150 . 51406 2 36 1 1 . . 8.386 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 2 36 2 1 . . 124.486 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 2 36 3 1 . . 53.952 . . 1 . 1 1 9 ASP CA . . . . . . . . . . 153 . 51406 2 37 1 1 . . 8.386 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 2 37 2 1 . . 124.481 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 2 37 3 1 . . 61.995 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 2 38 1 1 . . 8.386 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 2 38 2 1 . . 124.471 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 2 38 3 1 . . 41.090 . . 1 . 1 1 9 ASP CB . . . . . . . . . . 155 . 51406 2 39 1 1 . . 8.387 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 2 39 2 1 . . 124.464 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 2 39 3 1 . . 32.638 . . 1 . 1 1 8 VAL CB . . . . . . . . . . 156 . 51406 2 40 1 1 . . 7.933 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 2 40 2 1 . . 120.104 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 2 40 3 5 . . 56.791 . . 1 . 1 1 13 HIS CA . . . . . . . . . . 242 . 51406 2 41 1 1 . . 7.931 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 2 41 2 1 . . 120.134 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 2 41 3 1 . . 54.223 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 159 . 51406 2 42 1 1 . . 7.930 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 2 42 2 1 . . 120.164 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 2 42 3 1 . . 40.650 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 160 . 51406 2 43 1 1 . . 7.932 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 2 43 2 1 . . 120.127 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 2 43 3 3 . . 30.772 . . 1 . 1 1 13 HIS CB . . . . . . . . . . 244 . 51406 2 44 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 2 44 2 1 . . 129.096 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 2 44 3 1 . . 53.799 . . 1 . 1 1 26 ALA CA . . . . . . . . . . 161 . 51406 2 45 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 2 45 2 1 . . 129.079 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 2 45 3 1 . . 52.956 . . 1 . . . . . . . . . . . . . . . . 162 . 51406 2 46 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 2 46 2 1 . . 129.094 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 2 46 3 1 . . 19.645 . . 1 . 1 1 26 ALA CB . . . . . . . . . . 163 . 51406 2 47 1 1 . . 7.442 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 2 47 2 1 . . 129.083 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 2 47 3 1 . . 38.751 . . 1 . . . . . . . . . . . . . . . . 164 . 51406 2 48 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 2 48 2 1 . . 123.000 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 2 48 3 1 . . 61.962 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 2 49 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 2 49 2 1 . . 122.985 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 2 49 3 1 . . 56.346 . . 1 . 1 1 7 HIS CA . . . . . . . . . . 166 . 51406 2 50 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 2 50 2 1 . . 123.012 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 2 50 3 1 . . 32.717 . . 1 . 1 1 8 VAL CB . . . . . . . . . . 156 . 51406 2 51 1 1 . . 7.774 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 2 51 2 1 . . 122.992 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 2 51 3 1 . . 31.295 . . 1 . 1 1 7 HIS CB . . . . . . . . . . 167 . 51406 2 52 1 1 . . 7.533 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 2 52 2 1 . . 127.463 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 2 52 3 1 . . 54.032 . . 1 . . . . . . . . . . . . . . . . 171 . 51406 2 53 1 1 . . 7.532 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 2 53 2 1 . . 127.466 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 2 53 3 1 . . 56.528 . . 1 . . . . . . . . . . . . . . . . 170 . 51406 2 54 1 1 . . 7.532 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 2 54 2 1 . . 127.484 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 2 54 3 1 . . 43.009 . . 1 . . . . . . . . . . . . . . . . 172 . 51406 2 55 1 1 . . 7.533 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 2 55 2 1 . . 127.454 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 2 55 3 1 . . 40.610 . . 1 . . . . . . . . . . . . . . . . 173 . 51406 2 56 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 2 56 2 1 . . 121.183 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 2 56 3 1 . . 63.060 . . 1 . 1 1 30 THR CA . . . . . . . . . . 205 . 51406 2 57 1 1 . . 7.612 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 2 57 2 1 . . 121.136 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 2 57 3 1 . . 61.599 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 2 58 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 2 58 2 1 . . 121.173 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 2 58 3 1 . . 70.495 . . 1 . . . . . . . . . . . . . . . . 175 . 51406 2 59 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 2 59 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 2 59 3 1 . . 69.703 . . 1 . 1 1 31 THR CB . . . . . . . . . . 176 . 51406 2 60 1 1 . . 7.884 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 2 60 2 1 . . 126.785 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 2 60 3 1 . . 57.139 . . 1 . 1 1 20 GLN CA . . . . . . . . . . 179 . 51406 2 61 1 1 . . 7.887 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 2 61 2 1 . . 126.789 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 2 61 3 1 . . 58.220 . . 1 . 1 1 19 SER CA . . . . . . . . . . 180 . 51406 2 62 1 1 . . 7.883 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 2 62 2 1 . . 126.746 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 2 62 3 1 . . 63.571 . . 1 . 1 1 19 SER CB . . . . . . . . . . 181 . 51406 2 63 1 1 . . 7.883 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 2 63 2 1 . . 126.808 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 2 63 3 1 . . 30.020 . . 1 . 1 1 20 GLN CB . . . . . . . . . . 182 . 51406 2 64 1 1 . . 7.491 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 2 64 2 1 . . 124.867 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 2 64 3 1 . . 57.420 . . 1 . 1 1 28 HIS CA . . . . . . . . . . 184 . 51406 2 65 1 1 . . 7.483 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 2 65 2 1 . . 125.023 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 2 65 3 1 . . 54.975 . . 1 . 1 1 27 LEU CA . . . . . . . . . . 185 . 51406 2 66 1 1 . . 7.488 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 2 66 2 1 . . 125.231 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 2 66 3 1 . . 41.840 . . 1 . 1 1 27 LEU CB . . . . . . . . . . 186 . 51406 2 67 1 1 . . 7.489 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 2 67 2 1 . . 124.974 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 2 67 3 1 . . 31.450 . . 1 . 1 1 28 HIS CB . . . . . . . . . . 187 . 51406 2 68 1 1 . . 7.593 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 2 68 2 1 . . 126.276 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 2 68 3 1 . . 55.418 . . 1 . 1 1 21 GLN CA . . . . . . . . . . 190 . 51406 2 69 1 1 . . 7.591 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 2 69 2 1 . . 126.395 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 2 69 3 1 . . 58.903 . . 1 . 1 1 22 TYR CA . . . . . . . . . . 189 . 51406 2 70 1 1 . . 7.591 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 2 70 2 1 . . 126.383 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 2 70 3 1 . . 39.121 . . 1 . 1 1 22 TYR CB . . . . . . . . . . 191 . 51406 2 71 1 1 . . 7.594 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 2 71 2 1 . . 126.261 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 2 71 3 1 . . 29.327 . . 1 . 1 1 21 GLN CB . . . . . . . . . . 192 . 51406 2 72 1 1 . . 7.573 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 2 72 2 1 . . 126.748 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 2 72 3 1 . . 58.915 . . 1 . 1 1 6 TYR CA . . . . . . . . . . 195 . 51406 2 73 1 1 . . 7.569 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 2 73 2 1 . . 126.783 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 2 73 3 1 . . 61.464 . . 1 . 1 1 5 THR CA . . . . . . . . . . 196 . 51406 2 74 1 1 . . 7.569 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 2 74 2 1 . . 126.835 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 2 74 3 1 . . 69.704 . . 1 . 1 1 5 THR CB . . . . . . . . . . 197 . 51406 2 75 1 1 . . 7.575 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 2 75 2 1 . . 126.716 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 2 75 3 1 . . 39.091 . . 1 . 1 1 6 TYR CB . . . . . . . . . . 198 . 51406 2 76 1 1 . . 7.953 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 2 76 2 1 . . 123.597 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 2 76 3 1 . . 54.815 . . 1 . . . . . . . . . . . . . . . . 201 . 51406 2 77 1 1 . . 7.953 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 2 77 2 1 . . 123.501 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 2 77 3 1 . . 52.194 . . 1 . . . . . . . . . . . . . . . . 202 . 51406 2 78 1 1 . . 7.952 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 2 78 2 1 . . 123.629 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 2 78 3 1 . . 40.226 . . 1 . . . . . . . . . . . . . . . . 203 . 51406 2 79 1 1 . . 7.954 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 2 79 2 1 . . 123.723 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 2 79 3 1 . . 19.229 . . 1 . . . . . . . . . . . . . . . . 204 . 51406 2 80 1 1 . . 7.655 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 2 80 2 1 . . 120.869 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 2 80 3 1 . . 63.103 . . 1 . 1 1 30 THR CA . . . . . . . . . . 205 . 51406 2 81 1 1 . . 7.655 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 2 81 2 1 . . 120.860 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 2 81 3 1 . . 70.425 . . 1 . 1 1 30 THR CB . . . . . . . . . . 206 . 51406 2 82 1 1 . . 7.656 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 2 82 2 1 . . 120.914 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 2 82 3 1 . . 55.955 . . 1 . 1 1 29 LYS CA . . . . . . . . . . 207 . 51406 2 83 1 1 . . 7.654 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 2 83 2 1 . . 120.895 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 2 83 3 1 . . 32.851 . . 1 . 1 1 29 LYS CB . . . . . . . . . . 208 . 51406 2 84 1 1 . . 7.879 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 2 84 2 1 . . 128.802 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 2 84 3 1 . . 57.656 . . 1 . 1 1 32 LYS CA . . . . . . . . . . 212 . 51406 2 85 1 1 . . 7.880 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 2 85 2 1 . . 128.818 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 2 85 3 1 . . 61.528 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 2 86 1 1 . . 7.880 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 2 86 2 1 . . 128.803 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 2 86 3 1 . . 69.820 . . 1 . 1 1 31 THR CB . . . . . . . . . . 176 . 51406 2 87 1 1 . . 7.880 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 2 87 2 1 . . 128.797 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 2 87 3 1 . . 33.204 . . 1 . 1 1 32 LYS CB . . . . . . . . . . 213 . 51406 2 88 1 1 . . 8.166 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 2 88 2 1 . . 125.262 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 2 88 3 1 . . 54.036 . . 1 . . . . . . . . . . . . . . . . 217 . 51406 2 89 1 1 . . 8.160 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 2 89 2 1 . . 125.189 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 2 89 3 1 . . 52.752 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 216 . 51406 2 90 1 1 . . 8.161 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 2 90 2 1 . . 125.210 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 2 90 3 1 . . 18.811 . . 1 . 1 1 10 ALA CB . . . . . . . . . . 218 . 51406 2 91 1 1 . . 8.160 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 2 91 2 1 . . 125.242 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 2 91 3 1 . . 41.058 . . 1 . . . . . . . . . . . . . . . . 219 . 51406 2 92 1 1 . . 8.114 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 2 92 2 1 . . 123.597 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 2 92 3 1 . . 56.048 . . 1 . . . . . . . . . . . . . . . . 220 . 51406 2 93 1 1 . . 8.117 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 2 93 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 2 93 3 1 . . 53.653 . . 1 . . . . . . . . . . . . . . . . 221 . 51406 2 94 1 1 . . 8.116 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 2 94 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 2 94 3 1 . . 41.602 . . 1 . . . . . . . . . . . . . . . . 222 . 51406 2 95 1 1 . . 8.116 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 2 95 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 2 95 3 1 . . 40.711 . . 1 . . . . . . . . . . . . . . . . 223 . 51406 2 96 1 1 . . 8.156 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 2 96 2 1 . . 124.450 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 2 96 3 1 . . 54.960 . . 1 . 1 1 43 LEU CA . . . . . . . . . . 132 . 51406 2 97 1 1 . . 8.155 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 2 97 2 1 . . 124.471 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 2 97 3 1 . . 55.542 . . 1 . 1 1 42 GLN CA . . . . . . . . . . 225 . 51406 2 98 1 1 . . 8.154 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 2 98 2 1 . . 124.437 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 2 98 3 1 . . 41.784 . . 1 . 1 1 43 LEU CB . . . . . . . . . . 134 . 51406 2 99 1 1 . . 8.154 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 2 99 2 1 . . 124.416 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 2 99 3 1 . . 29.191 . . 1 . 1 1 42 GLN CB . . . . . . . . . . 227 . 51406 2 100 1 1 . . 7.920 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 2 100 2 1 . . 120.603 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 2 100 3 1 . . 57.915 . . 1 . . . . . . . . . . . . . . . . 229 . 51406 2 102 1 1 . . 7.915 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 2 102 2 1 . . 120.641 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 2 102 3 1 . . 38.582 . . 1 . . . . . . . . . . . . . . . . 231 . 51406 2 103 1 1 . . 7.916 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 2 103 2 1 . . 120.972 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 2 103 3 1 . . 28.881 . . 1 . . . . . . . . . . . . . . . . 232 . 51406 2 104 1 1 . . 8.270 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 2 104 2 1 . . 126.819 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 2 104 3 2 . . 54.138 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 159 . 51406 2 105 1 1 . . 8.274 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 2 105 2 1 . . 126.900 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 2 105 3 2 . . 40.752 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 160 . 51406 2 106 1 1 . . 8.263 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 2 106 2 1 . . 126.844 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 2 106 3 1 . . 40.052 . . 1 . . . . . . . . . . . . . . . . 236 . 51406 2 107 1 1 . . 7.619 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 2 107 2 1 . . 127.028 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 2 107 3 1 . . 39.108 . . 1 . . . . . . . . . . . . . . . . 237 . 51406 2 108 1 1 . . 7.644 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 2 108 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 2 108 3 1 . . 58.904 . . 1 . . . . . . . . . . . . . . . . 238 . 51406 2 110 1 1 . . 7.645 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 2 110 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 2 110 3 1 . . 39.108 . . 1 . . . . . . . . . . . . . . . . 239 . 51406 2 112 1 1 . . 8.037 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 2 112 2 1 . . 120.750 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 2 112 3 1 . . 40.618 . . 1 . 1 1 14 ASP CB . . . . . . . . . . 243 . 51406 2 113 1 1 . . 8.031 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 2 113 2 1 . . 120.747 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 2 113 3 1 . . 54.399 . . 1 . 1 1 14 ASP CA . . . . . . . . . . 241 . 51406 2 114 1 1 . . 8.036 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 2 114 2 1 . . 120.815 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 2 114 3 3 . . 30.746 . . 1 . 1 1 13 HIS CB . . . . . . . . . . 244 . 51406 2 115 1 1 . . 7.907 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 2 115 2 1 . . 120.809 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 2 115 3 1 . . 55.858 . . 1 . . . . . . . . . . . . . . . . 230 . 51406 2 116 1 1 . . 7.945 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 2 116 2 1 . . 122.316 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 2 116 3 2 . . 54.750 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 115 . 51406 2 117 1 1 . . 7.948 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 2 117 2 1 . . 122.370 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 2 117 3 1 . . 53.948 . . 1 . 1 1 23 ASP CA . . . . . . . . . . 245 . 51406 2 118 1 1 . . 7.945 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 2 118 2 1 . . 122.391 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 2 118 3 2 . . 42.000 . . 1 . 1 1 24 LEU CB . . . . . . . . . . 117 . 51406 2 119 1 1 . . 7.948 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 2 119 2 1 . . 122.273 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 2 119 3 1 . . 40.722 . . 1 . 1 1 23 ASP CB . . . . . . . . . . 246 . 51406 2 120 1 1 . . 7.836 . . 1 . . . . . . . . . . . . . . . . 247 . 51406 2 120 2 1 . . 119.656 . . 1 . . . . . . . . . . . . . . . . 248 . 51406 2 120 3 1 . . 56.144 . . 1 . . . . . . . . . . . . . . . . 250 . 51406 2 121 1 1 . . 7.844 . . 1 . . . . . . . . . . . . . . . . 247 . 51406 2 121 2 1 . . 119.628 . . 1 . . . . . . . . . . . . . . . . 248 . 51406 2 121 3 1 . . 30.812 . . 1 . . . . . . . . . . . . . . . . 249 . 51406 2 122 1 1 . . 7.970 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 2 122 2 1 . . 122.697 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 2 122 3 1 . . 47.338 . . 1 . . . . . . . . . . . . . . . . 253 . 51406 2 123 1 1 . . 7.884 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 2 123 2 1 . . 123.501 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 2 123 3 1 . . 56.120 . . 1 . . . . . . . . . . . . . . . . 111 . 51406 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 51406 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name 'peak list 1 2 3' _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D HNCA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . aliased 4545.45454545 Hz . . . . . . 51406 3 2 . . N 15 15N . aliased 2483.85494287 Hz . . . . . . 51406 3 3 . . C 13 13C . aliased 8802.81690141 Hz . . . . . . 51406 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51406 3 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Type _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . . 51406 3 2 1.0 . . . 51406 3 3 1.0 . . . 51406 3 4 1.0 . . . 51406 3 5 1.0 . . . 51406 3 6 1.0 . . . 51406 3 7 1.0 . . . 51406 3 8 1.0 . . . 51406 3 9 1.0 . . . 51406 3 10 1.0 . . . 51406 3 11 1.0 . . . 51406 3 12 1.0 . . . 51406 3 13 1.0 . . . 51406 3 14 1.0 . . . 51406 3 15 1.0 . . . 51406 3 16 1.0 . . . 51406 3 17 1.0 . . . 51406 3 18 1.0 . . . 51406 3 19 1.0 . . . 51406 3 20 1.0 . . . 51406 3 21 1.0 . . . 51406 3 22 1.0 . . . 51406 3 23 1.0 . . . 51406 3 24 1.0 . . . 51406 3 25 1.0 . . . 51406 3 26 1.0 . . . 51406 3 27 1.0 . . . 51406 3 28 1.0 . . . 51406 3 29 1.0 . . . 51406 3 30 1.0 . . . 51406 3 31 1.0 . . . 51406 3 32 1.0 . . . 51406 3 33 1.0 . . . 51406 3 34 1.0 . . . 51406 3 35 1.0 . . . 51406 3 36 1.0 . . . 51406 3 37 1.0 . . . 51406 3 38 1.0 . . . 51406 3 39 1.0 . . . 51406 3 40 1.0 . . . 51406 3 41 1.0 . . . 51406 3 42 1.0 . . . 51406 3 43 1.0 . . . 51406 3 44 1.0 . . . 51406 3 45 1.0 . . . 51406 3 46 1.0 . . . 51406 3 47 1.0 . . . 51406 3 48 1.0 . . . 51406 3 49 1.0 . . . 51406 3 50 1.0 . . . 51406 3 51 1.0 . . . 51406 3 52 1.0 . . . 51406 3 53 1.0 . . . 51406 3 54 1.0 . . . 51406 3 55 1.0 . . . 51406 3 56 1.0 . . . 51406 3 57 1.0 . . . 51406 3 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 371605.5937500 . height 51406 3 1 8401155.3125000 . volume 51406 3 2 286651.1875000 . height 51406 3 2 6407182.8437500 . volume 51406 3 3 106027.0937500 . height 51406 3 3 2263188.5625000 . volume 51406 3 4 21488.0351562 . height 51406 3 4 448803.3203120 . volume 51406 3 5 320758.4687500 . height 51406 3 5 7264414.9218800 . volume 51406 3 6 78487.8750000 . height 51406 3 6 1701830.8125000 . volume 51406 3 7 702938.3750000 . height 51406 3 7 15481529.6875000 . volume 51406 3 8 675049.9375000 . height 51406 3 8 14968797.8438000 . volume 51406 3 9 419395.3125000 . height 51406 3 9 8986942.6562500 . volume 51406 3 10 83110.1562500 . height 51406 3 10 1785331.8671900 . volume 51406 3 11 92798.4140625 . height 51406 3 11 2111868.2382800 . volume 51406 3 12 1489648.1250000 . height 51406 3 12 31916390.0000000 . volume 51406 3 13 528711.8125000 . height 51406 3 13 11144270.7812000 . volume 51406 3 14 455267.3750000 . height 51406 3 14 10396042.3438000 . volume 51406 3 15 229982.7031250 . height 51406 3 15 5292098.7968800 . volume 51406 3 16 182693.0937500 . height 51406 3 16 4090601.8750000 . volume 51406 3 17 197346.1250000 . height 51406 3 17 4258224.6640600 . volume 51406 3 18 77016.8437500 . height 51406 3 18 1647356.8398400 . volume 51406 3 19 919851.9375000 . height 51406 3 19 20931979.9375000 . volume 51406 3 20 277824.3437500 . height 51406 3 20 6155259.4531200 . volume 51406 3 21 205664.5156250 . height 51406 3 21 4665506.4375000 . volume 51406 3 22 163991.7031250 . height 51406 3 22 3753342.0859400 . volume 51406 3 23 806331.7500000 . height 51406 3 23 17147826.8125000 . volume 51406 3 24 205727.4218750 . height 51406 3 24 4470677.8515600 . volume 51406 3 25 1262206.7500000 . height 51406 3 25 27906587.4375000 . volume 51406 3 26 569297.1875000 . height 51406 3 26 12506032.7812000 . volume 51406 3 27 142465.8750000 . height 51406 3 27 3085190.4062500 . volume 51406 3 28 269209.6562500 . height 51406 3 28 5826336.2187500 . volume 51406 3 29 745379.5000000 . height 51406 3 29 16152078.4688000 . volume 51406 3 30 230740.1875000 . height 51406 3 30 4977012.2968800 . volume 51406 3 31 287972.5312500 . height 51406 3 31 6321179.4375000 . volume 51406 3 32 88895.3203125 . height 51406 3 32 1909226.6640600 . volume 51406 3 33 170183.0937500 . height 51406 3 33 3784615.0859400 . volume 51406 3 34 35348.0117188 . height 51406 3 34 737548.3242190 . volume 51406 3 35 162228.0312500 . height 51406 3 35 3364190.5625000 . volume 51406 3 36 377267.5312500 . height 51406 3 36 8227038.5781200 . volume 51406 3 37 309480.7187500 . height 51406 3 37 6980649.8437500 . volume 51406 3 38 89447.5625000 . height 51406 3 38 1965589.7539100 . volume 51406 3 39 223434.7500000 . height 51406 3 39 4861530.6406200 . volume 51406 3 40 75087.4609375 . height 51406 3 40 1613747.9609400 . volume 51406 3 41 358498.2187500 . height 51406 3 41 7992285.2343800 . volume 51406 3 42 97931.2031250 . height 51406 3 42 2147171.7734400 . volume 51406 3 43 373894.3750000 . height 51406 3 43 8030955.0781200 . volume 51406 3 44 128902.8593750 . height 51406 3 44 2760428.7031200 . volume 51406 3 45 249365.9687500 . height 51406 3 45 5711286.2656200 . volume 51406 3 46 109999.8750000 . height 51406 3 46 2518628.9765600 . volume 51406 3 47 151597.6562500 . height 51406 3 47 3621616.8750000 . volume 51406 3 48 97142.5937500 . height 51406 3 48 2295502.9375000 . volume 51406 3 49 72108.2343750 . height 51406 3 49 1648197.9765600 . volume 51406 3 50 119018.7812500 . height 51406 3 50 2774551.0703100 . volume 51406 3 51 97427.2734375 . height 51406 3 51 2289101.9140600 . volume 51406 3 52 56092.6132812 . height 51406 3 52 1243419.3671900 . volume 51406 3 53 69411.8281250 . height 51406 3 53 1553597.1171900 . volume 51406 3 54 108141.8906250 . height 51406 3 54 2443736.0937500 . volume 51406 3 55 115776.3281250 . height 51406 3 55 2613151.4531200 . volume 51406 3 56 75816.3750000 . height 51406 3 56 1690841.0390600 . volume 51406 3 57 26956.8789062 . height 51406 3 57 599678.1757810 . volume 51406 3 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.077 . 36.3925641233 . . . . . . . . . . . 51406 3 1 2 123.437 . 49.4538671747 . . . . . . . . . . . 51406 3 1 3 56.117 . 90.4324713727 . . . . . . . . . . . 51406 3 2 1 8.077 . 35.7919118621 . . . . . . . . . . . 51406 3 2 2 123.439 . 47.2280201009 . . . . . . . . . . . 51406 3 2 3 53.807 . 82.0332534716 . . . . . . . . . . . 51406 3 3 1 7.580 . 21.5053558350 . . . . . . . . . . . 51406 3 3 2 115.131 . 53.4554174511 . . . . . . . . . . . 51406 3 3 3 45.748 . 68.6954024812 . . . . . . . . . . . 51406 3 4 1 7.577 . 18.9786607569 . . . . . . . . . . . 51406 3 4 2 115.230 . 43.6823876178 . . . . . . . . . . . 51406 3 4 3 54.677 . 68.8575313125 . . . . . . . . . . . 51406 3 5 1 7.888 . 22.8101556951 . . . . . . . . . . . 51406 3 5 2 123.368 . 53.4816221757 . . . . . . . . . . . 51406 3 5 3 59.845 . 106.0377649020 . . . . . . . . . . . 51406 3 6 1 7.886 . 20.8253210241 . . . . . . . . . . . 51406 3 6 2 123.429 . 57.9245814150 . . . . . . . . . . . 51406 3 6 3 56.090 . 82.2507369686 . . . . . . . . . . . 51406 3 7 1 7.817 . 21.6481360522 . . . . . . . . . . . 51406 3 7 2 124.291 . 49.6431481939 . . . . . . . . . . . 51406 3 7 3 54.501 . 93.3048800683 . . . . . . . . . . . 51406 3 8 1 7.815 . 22.1512534402 . . . . . . . . . . . 51406 3 8 2 124.291 . 48.7706196942 . . . . . . . . . . . 51406 3 8 3 54.703 . 95.5867515483 . . . . . . . . . . . 51406 3 9 1 7.742 . 21.5530395508 . . . . . . . . . . . 51406 3 9 2 127.927 . 47.6318985683 . . . . . . . . . . . 51406 3 9 3 57.427 . 76.0885296573 . . . . . . . . . . . 51406 3 10 1 7.743 . 21.6139988466 . . . . . . . . . . . 51406 3 10 2 127.916 . 47.0778240947 . . . . . . . . . . . 51406 3 10 3 55.718 . 82.0880834485 . . . . . . . . . . . 51406 3 11 1 7.977 . 34.6882776781 . . . . . . . . . . . 51406 3 11 2 122.845 . 56.0554591092 . . . . . . . . . . . 51406 3 11 3 52.347 . 79.5475404027 . . . . . . . . . . . 51406 3 12 1 7.657 . 20.9128314799 . . . . . . . . . . . 51406 3 12 2 128.703 . 48.3429423032 . . . . . . . . . . . 51406 3 12 3 56.313 . 79.6477559587 . . . . . . . . . . . 51406 3 13 1 7.657 . 20.5568291924 . . . . . . . . . . . 51406 3 13 2 128.679 . 47.1765729721 . . . . . . . . . . . 51406 3 13 3 54.810 . 78.7660164732 . . . . . . . . . . . 51406 3 14 1 7.814 . 35.4623252695 . . . . . . . . . . . 51406 3 14 2 119.848 . 48.5796361081 . . . . . . . . . . . 51406 3 14 3 55.383 . 94.2805388444 . . . . . . . . . . . 51406 3 15 1 7.815 . 37.1326099743 . . . . . . . . . . . 51406 3 15 2 119.854 . 49.1163888146 . . . . . . . . . . . 51406 3 15 3 52.766 . 88.8224638684 . . . . . . . . . . . 51406 3 16 1 7.626 . 62.4139200557 . . . . . . . . . . . 51406 3 16 2 126.985 . 63.1551628852 . . . . . . . . . . . 51406 3 16 3 58.921 . 75.4649370489 . . . . . . . . . . . 51406 3 17 1 7.849 . 21.5774232691 . . . . . . . . . . . 51406 3 17 2 127.543 . 51.7417098892 . . . . . . . . . . . 51406 3 17 3 57.332 . 76.3472012231 . . . . . . . . . . . 51406 3 18 1 7.849 . 22.0997767015 . . . . . . . . . . . 51406 3 18 2 127.486 . 48.4832560193 . . . . . . . . . . . 51406 3 18 3 55.561 . 75.3492431741 . . . . . . . . . . . 51406 3 19 1 8.392 . 34.7963788293 . . . . . . . . . . . 51406 3 19 2 124.493 . 49.0466575983 . . . . . . . . . . . 51406 3 19 3 53.952 . 86.3939418759 . . . . . . . . . . . 51406 3 20 1 8.390 . 33.5605307059 . . . . . . . . . . . 51406 3 20 2 124.475 . 47.0632412395 . . . . . . . . . . . 51406 3 20 3 61.971 . 77.4196650780 . . . . . . . . . . . 51406 3 21 1 7.938 . 49.5107336478 . . . . . . . . . . . 51406 3 21 2 120.144 . 50.1083190679 . . . . . . . . . . . 51406 3 21 3 56.767 . 84.5423151909 . . . . . . . . . . . 51406 3 22 1 7.940 . 57.5486909259 . . . . . . . . . . . 51406 3 22 2 120.159 . 49.9550140265 . . . . . . . . . . . 51406 3 22 3 54.170 . 79.3817387500 . . . . . . . . . . . 51406 3 23 1 7.446 . 20.5552036112 . . . . . . . . . . . 51406 3 23 2 129.108 . 47.6434094007 . . . . . . . . . . . 51406 3 23 3 53.788 . 77.1292498414 . . . . . . . . . . . 51406 3 24 1 7.446 . 21.3300639933 . . . . . . . . . . . 51406 3 24 2 129.104 . 48.2610340327 . . . . . . . . . . . 51406 3 24 3 52.898 . 96.4813459087 . . . . . . . . . . . 51406 3 25 1 7.778 . 28.3008271998 . . . . . . . . . . . 51406 3 25 2 123.031 . 48.2850180179 . . . . . . . . . . . 51406 3 25 3 61.965 . 81.6759404162 . . . . . . . . . . . 51406 3 26 1 7.779 . 27.9545783997 . . . . . . . . . . . 51406 3 26 2 123.024 . 47.4104908528 . . . . . . . . . . . 51406 3 26 3 56.288 . 79.5257658186 . . . . . . . . . . . 51406 3 27 1 7.537 . 23.2173637910 . . . . . . . . . . . 51406 3 27 2 127.473 . 49.5778214440 . . . . . . . . . . . 51406 3 27 3 54.016 . 78.6280233256 . . . . . . . . . . . 51406 3 28 1 7.537 . 22.1496278589 . . . . . . . . . . . 51406 3 28 2 127.480 . 49.5503212881 . . . . . . . . . . . 51406 3 28 3 56.450 . 79.3762295179 . . . . . . . . . . . 51406 3 29 1 7.617 . 23.3100219206 . . . . . . . . . . . 51406 3 29 2 121.206 . 48.0305212858 . . . . . . . . . . . 51406 3 29 3 63.026 . 80.3878294750 . . . . . . . . . . . 51406 3 30 1 7.617 . 22.3140824925 . . . . . . . . . . . 51406 3 30 2 121.175 . 47.4973217623 . . . . . . . . . . . 51406 3 30 3 61.574 . 83.6752669912 . . . . . . . . . . . 51406 3 31 1 7.889 . 25.6760553880 . . . . . . . . . . . 51406 3 31 2 126.809 . 51.6965918676 . . . . . . . . . . . 51406 3 31 3 57.170 . 76.0237305937 . . . . . . . . . . . 51406 3 32 1 7.887 . 23.6771323464 . . . . . . . . . . . 51406 3 32 2 126.827 . 47.4961003556 . . . . . . . . . . . 51406 3 32 3 58.248 . 82.4293934963 . . . . . . . . . . . 51406 3 33 1 7.495 . 22.5660475818 . . . . . . . . . . . 51406 3 33 2 124.883 . 55.9208082786 . . . . . . . . . . . 51406 3 33 3 57.414 . 83.5559002950 . . . . . . . . . . . 51406 3 34 1 7.492 . 18.8361514698 . . . . . . . . . . . 51406 3 34 2 125.008 . 41.8929158309 . . . . . . . . . . . 51406 3 34 3 54.794 . 80.7461919079 . . . . . . . . . . . 51406 3 35 1 7.598 . 19.4164839658 . . . . . . . . . . . 51406 3 35 2 126.309 . 46.8611539565 . . . . . . . . . . . 51406 3 35 3 55.392 . 70.4601931740 . . . . . . . . . . . 51406 3 36 1 7.597 . 21.8778848648 . . . . . . . . . . . 51406 3 36 2 126.368 . 60.3021790125 . . . . . . . . . . . 51406 3 36 3 58.901 . 75.5861401558 . . . . . . . . . . . 51406 3 37 1 7.580 . 44.0126115626 . . . . . . . . . . . 51406 3 37 2 126.745 . 57.3136560134 . . . . . . . . . . . 51406 3 37 3 58.903 . 75.2621448376 . . . . . . . . . . . 51406 3 38 1 7.573 . 24.8955054717 . . . . . . . . . . . 51406 3 38 2 126.824 . 47.6881572991 . . . . . . . . . . . 51406 3 38 3 61.408 . 89.8012707771 . . . . . . . . . . . 51406 3 39 1 7.957 . 22.6138667627 . . . . . . . . . . . 51406 3 39 2 123.707 . 51.8563370532 . . . . . . . . . . . 51406 3 39 3 54.740 . 79.5745618746 . . . . . . . . . . . 51406 3 40 1 7.956 . 20.2933495695 . . . . . . . . . . . 51406 3 40 2 123.626 . 57.6701587074 . . . . . . . . . . . 51406 3 40 3 52.083 . 78.3307871348 . . . . . . . . . . . 51406 3 41 1 7.658 . 51.8433072350 . . . . . . . . . . . 51406 3 41 2 120.916 . 49.9625645404 . . . . . . . . . . . 51406 3 41 3 63.064 . 82.2953355144 . . . . . . . . . . . 51406 3 42 1 7.660 . 22.0924615860 . . . . . . . . . . . 51406 3 42 2 120.883 . 48.6161302585 . . . . . . . . . . . 51406 3 42 3 55.943 . 83.6277826571 . . . . . . . . . . . 51406 3 43 1 7.884 . 21.4262442155 . . . . . . . . . . . 51406 3 43 2 128.816 . 49.4066024383 . . . . . . . . . . . 51406 3 43 3 57.636 . 78.2785806018 . . . . . . . . . . . 51406 3 44 1 7.884 . 21.3241035288 . . . . . . . . . . . 51406 3 44 2 128.821 . 48.6928568038 . . . . . . . . . . . 51406 3 44 3 61.449 . 78.7387326570 . . . . . . . . . . . 51406 3 45 1 8.170 . 44.1846522418 . . . . . . . . . . . 51406 3 45 2 125.205 . 50.5335906579 . . . . . . . . . . . 51406 3 45 3 52.755 . 81.8391186251 . . . . . . . . . . . 51406 3 46 1 8.170 . 42.5023111430 . . . . . . . . . . . 51406 3 46 2 125.205 . 47.0302262474 . . . . . . . . . . . 51406 3 46 3 53.920 . 80.1493584270 . . . . . . . . . . . 51406 3 47 1 8.117 . 69.7275454348 . . . . . . . . . . . 51406 3 47 2 123.698 . 58.6897001537 . . . . . . . . . . . 51406 3 47 3 56.060 . 90.1769479396 . . . . . . . . . . . 51406 3 48 1 8.118 . 70.1457262039 . . . . . . . . . . . 51406 3 48 2 123.698 . 55.0246659168 . . . . . . . . . . . 51406 3 48 3 53.735 . 80.9442619203 . . . . . . . . . . . 51406 3 49 1 8.162 . 34.0667637912 . . . . . . . . . . . 51406 3 49 2 124.457 . 54.4521593065 . . . . . . . . . . . 51406 3 49 3 55.558 . 227.0441135050 . . . . . . . . . . . 51406 3 50 1 8.160 . 35.0070270625 . . . . . . . . . . . 51406 3 50 2 124.423 . 58.5237368978 . . . . . . . . . . . 51406 3 50 3 54.810 . 91.3228682229 . . . . . . . . . . . 51406 3 51 1 7.923 . 47.5813042034 . . . . . . . . . . . 51406 3 51 2 120.767 . 53.5178942522 . . . . . . . . . . . 51406 3 51 3 57.845 . 108.9253895720 . . . . . . . . . . . 51406 3 52 1 7.923 . 44.1436063160 . . . . . . . . . . . 51406 3 52 2 120.746 . 49.1162407653 . . . . . . . . . . . 51406 3 52 3 55.826 . 88.7463839961 . . . . . . . . . . . 51406 3 53 1 8.280 . 29.5922160149 . . . . . . . . . . . 51406 3 53 2 126.789 . 52.5794838177 . . . . . . . . . . . 51406 3 53 3 54.145 . 82.4703192207 . . . . . . . . . . . 51406 3 54 1 7.645 . 73.6166130413 . . . . . . . . . . . 51406 3 54 2 126.533 . 70.7870298396 . . . . . . . . . . . 51406 3 54 3 58.910 . 73.8536178226 . . . . . . . . . . . 51406 3 55 1 7.954 . 30.5060635914 . . . . . . . . . . . 51406 3 55 2 122.432 . 57.1597587748 . . . . . . . . . . . 51406 3 55 3 54.779 . 79.6322776398 . . . . . . . . . . . 51406 3 56 1 7.954 . 35.4208729484 . . . . . . . . . . . 51406 3 56 2 122.480 . 53.3135122052 . . . . . . . . . . . 51406 3 56 3 54.044 . 77.9858042657 . . . . . . . . . . . 51406 3 57 1 7.969 . 38.6335633018 . . . . . . . . . . . 51406 3 57 2 122.860 . 59.3357872619 . . . . . . . . . . . 51406 3 57 3 47.269 . 67.6019510753 . . . . . . . . . . . 51406 3 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.077 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 3 1 2 1 . . 123.437 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 3 1 3 1 . . 56.117 . . 1 . . . . . . . . . . . . . . . . 102 . 51406 3 2 1 1 . . 8.077 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 3 2 2 1 . . 123.439 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 3 2 3 1 . . 53.807 . . 1 . . . . . . . . . . . . . . . . 103 . 51406 3 3 1 1 . . 7.580 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 3 3 2 1 . . 115.131 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 3 3 3 1 . . 45.748 . . 1 . 1 1 38 GLY CA . . . . . . . . . . 107 . 51406 3 4 1 1 . . 7.577 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 3 4 2 1 . . 115.230 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 3 4 3 1 . . 54.677 . . 1 . 1 1 37 LEU CA . . . . . . . . . . 108 . 51406 3 5 1 1 . . 7.888 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 3 5 2 1 . . 123.368 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 3 5 3 1 . . 59.845 . . 1 . . . . . . . . . . . . . . . . 109 . 51406 3 6 1 1 . . 7.886 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 3 6 2 1 . . 123.429 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 3 6 3 1 . . 56.090 . . 1 . . . . . . . . . . . . . . . . 111 . 51406 3 7 1 1 . . 7.817 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 3 7 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 3 7 3 1 . . 54.501 . . 1 . 1 1 25 ASN CA . . . . . . . . . . 114 . 51406 3 8 1 1 . . 7.815 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 3 8 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 3 8 3 1 . . 54.703 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 115 . 51406 3 9 1 1 . . 7.742 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 3 9 2 1 . . 127.927 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 3 9 3 1 . . 57.427 . . 1 . 1 1 18 LYS CA . . . . . . . . . . 122 . 51406 3 10 1 1 . . 7.743 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 3 10 2 1 . . 127.916 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 3 10 3 1 . . 55.718 . . 1 . 1 1 17 ARG CA . . . . . . . . . . 123 . 51406 3 11 1 1 . . 7.977 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 3 11 2 1 . . 122.845 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 3 11 3 1 . . 52.347 . . 1 . . . . . . . . . . . . . . . . 129 . 51406 3 12 1 1 . . 7.657 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 3 12 2 1 . . 128.703 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 3 12 3 1 . . 56.313 . . 1 . 1 1 44 LEU CA . . . . . . . . . . 131 . 51406 3 13 1 1 . . 7.657 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 3 13 2 1 . . 128.679 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 3 13 3 1 . . 54.810 . . 1 . 1 1 43 LEU CA . . . . . . . . . . 132 . 51406 3 14 1 1 . . 7.814 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 3 14 2 1 . . 119.848 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 3 14 3 1 . . 55.383 . . 1 . 1 1 11 ASN CA . . . . . . . . . . 140 . 51406 3 15 1 1 . . 7.815 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 3 15 2 1 . . 119.854 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 3 15 3 1 . . 52.766 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 216 . 51406 3 16 1 1 . . 7.626 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 3 16 2 1 . . 126.985 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 3 16 3 1 . . 58.921 . . 1 . . . . . . . . . . . . . . . . 143 . 51406 3 17 1 1 . . 7.849 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 3 17 2 1 . . 127.543 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 3 17 3 1 . . 57.332 . . 1 . 1 1 35 ARG CA . . . . . . . . . . 147 . 51406 3 18 1 1 . . 7.849 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 3 18 2 1 . . 127.486 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 3 18 3 1 . . 55.561 . . 1 . 1 1 34 GLN CA . . . . . . . . . . 148 . 51406 3 19 1 1 . . 8.392 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 3 19 2 1 . . 124.493 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 3 19 3 1 . . 53.952 . . 1 . 1 1 9 ASP CA . . . . . . . . . . 153 . 51406 3 20 1 1 . . 8.390 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 3 20 2 1 . . 124.475 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 3 20 3 1 . . 61.971 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 3 21 1 1 . . 7.938 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 3 21 2 1 . . 120.144 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 3 21 3 2 . . 56.767 . . 1 . 1 1 13 HIS CA . . . . . . . . . . 242 . 51406 3 22 1 1 . . 7.940 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 3 22 2 1 . . 120.159 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 3 22 3 1 . . 54.170 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 159 . 51406 3 23 1 1 . . 7.446 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 3 23 2 1 . . 129.108 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 3 23 3 1 . . 53.788 . . 1 . 1 1 26 ALA CA . . . . . . . . . . 161 . 51406 3 24 1 1 . . 7.446 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 3 24 2 1 . . 129.104 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 3 24 3 1 . . 52.898 . . 1 . . . . . . . . . . . . . . . . 162 . 51406 3 25 1 1 . . 7.778 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 3 25 2 1 . . 123.031 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 3 25 3 1 . . 61.965 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 3 26 1 1 . . 7.779 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 3 26 2 1 . . 123.024 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 3 26 3 1 . . 56.288 . . 1 . 1 1 7 HIS CA . . . . . . . . . . 166 . 51406 3 27 1 1 . . 7.537 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 3 27 2 1 . . 127.473 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 3 27 3 1 . . 54.016 . . 1 . . . . . . . . . . . . . . . . 171 . 51406 3 28 1 1 . . 7.537 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 3 28 2 1 . . 127.480 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 3 28 3 1 . . 56.450 . . 1 . . . . . . . . . . . . . . . . 170 . 51406 3 29 1 1 . . 7.617 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 3 29 2 1 . . 121.206 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 3 29 3 1 . . 63.026 . . 1 . 1 1 30 THR CA . . . . . . . . . . 205 . 51406 3 30 1 1 . . 7.617 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 3 30 2 1 . . 121.175 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 3 30 3 1 . . 61.574 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 3 31 1 1 . . 7.889 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 3 31 2 1 . . 126.809 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 3 31 3 1 . . 57.170 . . 1 . 1 1 20 GLN CA . . . . . . . . . . 179 . 51406 3 32 1 1 . . 7.887 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 3 32 2 1 . . 126.827 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 3 32 3 1 . . 58.248 . . 1 . 1 1 19 SER CA . . . . . . . . . . 180 . 51406 3 33 1 1 . . 7.495 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 3 33 2 1 . . 124.883 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 3 33 3 1 . . 57.414 . . 1 . 1 1 28 HIS CA . . . . . . . . . . 184 . 51406 3 34 1 1 . . 7.492 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 3 34 2 1 . . 125.008 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 3 34 3 1 . . 54.794 . . 1 . 1 1 27 LEU CA . . . . . . . . . . 185 . 51406 3 35 1 1 . . 7.598 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 3 35 2 1 . . 126.309 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 3 35 3 1 . . 55.392 . . 1 . 1 1 21 GLN CA . . . . . . . . . . 190 . 51406 3 36 1 1 . . 7.597 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 3 36 2 1 . . 126.368 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 3 36 3 1 . . 58.901 . . 1 . 1 1 22 TYR CA . . . . . . . . . . 189 . 51406 3 37 1 1 . . 7.580 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 3 37 2 1 . . 126.745 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 3 37 3 1 . . 58.903 . . 1 . 1 1 6 TYR CA . . . . . . . . . . 195 . 51406 3 38 1 1 . . 7.573 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 3 38 2 1 . . 126.824 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 3 38 3 1 . . 61.408 . . 1 . 1 1 5 THR CA . . . . . . . . . . 196 . 51406 3 39 1 1 . . 7.957 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 3 39 2 1 . . 123.707 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 3 39 3 1 . . 54.740 . . 1 . . . . . . . . . . . . . . . . 201 . 51406 3 40 1 1 . . 7.956 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 3 40 2 1 . . 123.626 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 3 40 3 1 . . 52.083 . . 1 . . . . . . . . . . . . . . . . 202 . 51406 3 41 1 1 . . 7.658 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 3 41 2 1 . . 120.916 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 3 41 3 2 . . 63.064 . . 1 . 1 1 30 THR CA . . . . . . . . . . 205 . 51406 3 42 1 1 . . 7.660 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 3 42 2 1 . . 120.883 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 3 42 3 1 . . 55.943 . . 1 . 1 1 29 LYS CA . . . . . . . . . . 207 . 51406 3 43 1 1 . . 7.884 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 3 43 2 1 . . 128.816 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 3 43 3 1 . . 57.636 . . 1 . 1 1 32 LYS CA . . . . . . . . . . 212 . 51406 3 44 1 1 . . 7.884 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 3 44 2 1 . . 128.821 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 3 44 3 1 . . 61.449 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 3 45 1 1 . . 8.170 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 3 45 2 1 . . 125.205 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 3 45 3 1 . . 52.755 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 216 . 51406 3 46 1 1 . . 8.170 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 3 46 2 1 . . 125.205 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 3 46 3 1 . . 53.920 . . 1 . . . . . . . . . . . . . . . . 217 . 51406 3 47 1 1 . . 8.117 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 3 47 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 3 47 3 1 . . 56.060 . . 1 . . . . . . . . . . . . . . . . 220 . 51406 3 48 1 1 . . 8.118 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 3 48 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 3 48 3 1 . . 53.735 . . 1 . . . . . . . . . . . . . . . . 221 . 51406 3 49 1 1 . . 8.162 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 3 49 2 1 . . 124.457 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 3 49 3 1 . . 55.558 . . 1 . 1 1 42 GLN CA . . . . . . . . . . 225 . 51406 3 50 1 1 . . 8.160 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 3 50 2 1 . . 124.423 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 3 50 3 1 . . 54.810 . . 1 . 1 1 43 LEU CA . . . . . . . . . . 132 . 51406 3 51 1 1 . . 7.923 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 3 51 2 1 . . 120.767 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 3 51 3 1 . . 57.845 . . 1 . . . . . . . . . . . . . . . . 229 . 51406 3 52 1 1 . . 7.923 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 3 52 2 1 . . 120.746 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 3 52 3 1 . . 55.826 . . 1 . . . . . . . . . . . . . . . . 230 . 51406 3 53 1 1 . . 8.280 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 3 53 2 1 . . 126.789 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 3 53 3 2 . . 54.145 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 159 . 51406 3 54 1 1 . . 7.645 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 3 54 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 3 54 3 1 . . 58.910 . . 1 . . . . . . . . . . . . . . . . 238 . 51406 3 55 1 1 . . 7.954 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 3 55 2 1 . . 122.432 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 3 55 3 1 . . 54.779 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 115 . 51406 3 56 1 1 . . 7.954 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 3 56 2 1 . . 122.480 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 3 56 3 1 . . 54.044 . . 1 . 1 1 23 ASP CA . . . . . . . . . . 245 . 51406 3 57 1 1 . . 7.969 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 3 57 2 1 . . 122.860 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 3 57 3 1 . . 47.269 . . 1 . . . . . . . . . . . . . . . . 253 . 51406 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 51406 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name 'peak list 1 2 3 4' _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name 'CC(CO)NH (HNco_C.relayed)' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . aliased 5252.10084034 Hz . . . . . . 51406 4 2 . . N 15 15N . aliased 2483.85494287 Hz . . . . . . 51406 4 3 . . C 13 13C . aliased 13192.61213720 Hz . . . . . . 51406 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51406 4 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Type _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . . 51406 4 2 1.0 . . . 51406 4 3 1.0 . . . 51406 4 4 1.0 . . . 51406 4 5 1.0 . . . 51406 4 6 1.0 . . . 51406 4 7 1.0 . . . 51406 4 8 1.0 . . . 51406 4 9 1.0 . . . 51406 4 10 1.0 . . . 51406 4 11 1.0 . . . 51406 4 12 1.0 . . . 51406 4 13 1.0 . . . 51406 4 14 1.0 . . . 51406 4 15 1.0 . . . 51406 4 16 1.0 . . . 51406 4 17 1.0 . . . 51406 4 18 1.0 . . . 51406 4 19 1.0 . . . 51406 4 20 1.0 . . . 51406 4 21 1.0 . . . 51406 4 22 1.0 . . . 51406 4 23 1.0 . . . 51406 4 24 1.0 . . . 51406 4 25 1.0 . . . 51406 4 26 1.0 . . . 51406 4 27 1.0 . . . 51406 4 28 1.0 . . . 51406 4 29 1.0 . . . 51406 4 30 1.0 . . . 51406 4 31 1.0 . . . 51406 4 32 1.0 . . . 51406 4 33 1.0 . . . 51406 4 34 1.0 . . . 51406 4 35 1.0 . . . 51406 4 36 1.0 . . . 51406 4 37 1.0 . . . 51406 4 38 1.0 . . . 51406 4 39 1.0 . . . 51406 4 40 1.0 . . . 51406 4 41 1.0 . . . 51406 4 42 1.0 . . . 51406 4 43 1.0 . . . 51406 4 44 1.0 . . . 51406 4 45 1.0 . . . 51406 4 46 1.0 . . . 51406 4 47 1.0 . . . 51406 4 48 1.0 . . . 51406 4 49 1.0 . . . 51406 4 50 1.0 . . . 51406 4 51 1.0 . . . 51406 4 52 1.0 . . . 51406 4 53 1.0 . . . 51406 4 54 1.0 . . . 51406 4 55 1.0 . . . 51406 4 56 1.0 . . . 51406 4 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 811507.37500 . height 51406 4 1 17523993.68750 . volume 51406 4 2 333552.87500 . height 51406 4 2 6885770.93750 . volume 51406 4 3 183642.06250 . height 51406 4 3 4063148.28125 . volume 51406 4 4 259680.46875 . height 51406 4 4 5318840.65625 . volume 51406 4 5 238246.56250 . height 51406 4 5 4749627.87500 . volume 51406 4 6 320555.65625 . height 51406 4 6 6633583.65625 . volume 51406 4 7 571096.43750 . height 51406 4 7 11814034.62500 . volume 51406 4 8 633837.87500 . height 51406 4 8 12313238.68750 . volume 51406 4 9 1082066.37500 . height 51406 4 9 21609276.37500 . volume 51406 4 10 650258.75000 . height 51406 4 10 12488560.96880 . volume 51406 4 11 671700.87500 . height 51406 4 11 12993005.09380 . volume 51406 4 12 625467.18750 . height 51406 4 12 11694841.15620 . volume 51406 4 13 1798103.50000 . height 51406 4 13 37953268.87500 . volume 51406 4 14 293585.15625 . height 51406 4 14 5298419.21875 . volume 51406 4 15 1486102.25000 . height 51406 4 15 27639672.25000 . volume 51406 4 16 785930.56250 . height 51406 4 16 14914269.43750 . volume 51406 4 17 326494.75000 . height 51406 4 17 6972037.65625 . volume 51406 4 18 930882.12500 . height 51406 4 18 20363771.03120 . volume 51406 4 19 610832.87500 . height 51406 4 19 13787178.18750 . volume 51406 4 20 1244967.00000 . height 51406 4 20 23924822.00000 . volume 51406 4 21 2449053.75000 . height 51406 4 21 51222804.50000 . volume 51406 4 22 543962.37500 . height 51406 4 22 11887885.75000 . volume 51406 4 23 -244914.18750 . height 51406 4 23 -4874032.37500 . volume 51406 4 24 211968.09375 . height 51406 4 24 4435855.43750 . volume 51406 4 25 1669031.12500 . height 51406 4 25 31679052.87500 . volume 51406 4 26 485289.06250 . height 51406 4 26 10603147.28120 . volume 51406 4 27 113675.12500 . height 51406 4 27 2375267.50000 . volume 51406 4 28 309993.31250 . height 51406 4 28 6164148.53125 . volume 51406 4 29 1384297.75000 . height 51406 4 29 25817204.37500 . volume 51406 4 30 -182205.03125 . height 51406 4 30 -3895541.68750 . volume 51406 4 31 138050.87500 . height 51406 4 31 2718872.53125 . volume 51406 4 32 879445.43750 . height 51406 4 32 17156726.37500 . volume 51406 4 33 -500814.06250 . height 51406 4 33 -9497377.09375 . volume 51406 4 34 1414490.75000 . height 51406 4 34 27954318.93750 . volume 51406 4 35 122026.34375 . height 51406 4 35 2493130.62500 . volume 51406 4 36 135952.78125 . height 51406 4 36 2842664.93750 . volume 51406 4 37 183206.59375 . height 51406 4 37 3681712.25000 . volume 51406 4 38 1081487.50000 . height 51406 4 38 20567059.15620 . volume 51406 4 39 582284.00000 . height 51406 4 39 12964368.00000 . volume 51406 4 40 -254364.87500 . height 51406 4 40 -5195829.34375 . volume 51406 4 41 781111.12500 . height 51406 4 41 16787264.18750 . volume 51406 4 42 147896.96875 . height 51406 4 42 3271652.06250 . volume 51406 4 43 511849.12500 . height 51406 4 43 10562693.93750 . volume 51406 4 44 361971.59375 . height 51406 4 44 7861259.46875 . volume 51406 4 45 241711.87500 . height 51406 4 45 5015743.34375 . volume 51406 4 46 -274184.53125 . height 51406 4 46 -5215178.40625 . volume 51406 4 47 426589.53125 . height 51406 4 47 8192160.00000 . volume 51406 4 48 1815910.37500 . height 51406 4 48 33613261.12500 . volume 51406 4 49 365895.53125 . height 51406 4 49 7780696.93750 . volume 51406 4 50 83313.84375 . height 51406 4 50 1490490.00000 . volume 51406 4 51 323529.06250 . height 51406 4 51 6614677.03125 . volume 51406 4 52 99740.59375 . height 51406 4 52 2273859.71875 . volume 51406 4 53 87595.62500 . height 51406 4 53 1922731.56250 . volume 51406 4 54 67366.06250 . height 51406 4 54 1508449.31250 . volume 51406 4 55 108833.18750 . height 51406 4 55 1121784.00000 . volume 51406 4 56 508329.62500 . height 51406 4 56 10188163.12500 . volume 51406 4 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.074 . 54.8475429791 . . . . . . . . . . . 51406 4 1 2 123.451 . 45.1531092800 . . . . . . . . . . . 51406 4 1 3 40.645 . 125.8790335740 . . . . . . . . . . . 51406 4 2 1 7.818 . 18.3907251398 . . . . . . . . . . . 51406 4 2 2 124.268 . 49.2540746557 . . . . . . . . . . . 51406 4 2 3 41.854 . 146.2625639420 . . . . . . . . . . . 51406 4 3 1 7.818 . 22.8159943549 . . . . . . . . . . . 51406 4 3 2 124.266 . 53.7951165506 . . . . . . . . . . . 51406 4 3 3 26.454 . 165.6490139720 . . . . . . . . . . . 51406 4 4 1 7.818 . 21.1778057723 . . . . . . . . . . . 51406 4 4 2 124.333 . 44.0811583845 . . . . . . . . . . . 51406 4 4 3 24.785 . 121.4346344680 . . . . . . . . . . . 51406 4 5 1 7.818 . 19.7074117781 . . . . . . . . . . . 51406 4 5 2 124.338 . 41.6556668412 . . . . . . . . . . . 51406 4 5 3 22.907 . 124.5571944200 . . . . . . . . . . . 51406 4 6 1 7.740 . 20.2596312811 . . . . . . . . . . . 51406 4 6 2 127.856 . 41.8328448308 . . . . . . . . . . . 51406 4 6 3 30.273 . 153.2507760540 . . . . . . . . . . . 51406 4 7 1 7.741 . 20.5354279831 . . . . . . . . . . . 51406 4 7 2 127.828 . 46.8198111918 . . . . . . . . . . . 51406 4 7 3 26.742 . 121.9835004580 . . . . . . . . . . . 51406 4 8 1 7.740 . 22.9891107864 . . . . . . . . . . . 51406 4 8 2 127.870 . 43.2711807105 . . . . . . . . . . . 51406 4 8 3 42.974 . 84.5520980754 . . . . . . . . . . . 51406 4 9 1 7.654 . 16.8583473238 . . . . . . . . . . . 51406 4 9 2 128.668 . 43.0315629321 . . . . . . . . . . . 51406 4 9 3 41.647 . 150.2705438160 . . . . . . . . . . . 51406 4 10 1 7.654 . 17.8610452083 . . . . . . . . . . . 51406 4 10 2 128.672 . 37.8715269493 . . . . . . . . . . . 51406 4 10 3 26.565 . 115.6164977040 . . . . . . . . . . . 51406 4 11 1 7.654 . 17.1416572162 . . . . . . . . . . . 51406 4 11 2 128.678 . 38.8145639241 . . . . . . . . . . . 51406 4 11 3 24.693 . 114.0681923540 . . . . . . . . . . . 51406 4 12 1 7.654 . 16.5083578655 . . . . . . . . . . . 51406 4 12 2 128.643 . 36.7970592160 . . . . . . . . . . . 51406 4 12 3 22.939 . 106.0860452680 . . . . . . . . . . . 51406 4 13 1 7.825 . 41.0805605039 . . . . . . . . . . . 51406 4 13 2 119.912 . 41.9117921156 . . . . . . . . . . . 51406 4 13 3 18.685 . 99.0593024483 . . . . . . . . . . . 51406 4 15 1 7.624 . 19.4663635823 . . . . . . . . . . . 51406 4 15 2 127.017 . 42.5705374383 . . . . . . . . . . . 51406 4 15 3 21.183 . 84.1597139364 . . . . . . . . . . . 51406 4 16 1 7.847 . 19.2347068747 . . . . . . . . . . . 51406 4 16 2 127.450 . 47.5696438412 . . . . . . . . . . . 51406 4 16 3 33.525 . 91.0370519734 . . . . . . . . . . . 51406 4 17 1 8.384 . 33.7786784693 . . . . . . . . . . . 51406 4 17 2 124.456 . 43.1702851183 . . . . . . . . . . . 51406 4 17 3 61.824 . 127.5769402920 . . . . . . . . . . . 51406 4 18 1 8.384 . 33.3153650540 . . . . . . . . . . . 51406 4 18 2 124.499 . 45.0685731345 . . . . . . . . . . . 51406 4 18 3 20.440 . 131.8953282600 . . . . . . . . . . . 51406 4 19 1 7.927 . 39.1568706817 . . . . . . . . . . . 51406 4 19 2 120.074 . 43.1604398404 . . . . . . . . . . . 51406 4 19 3 40.514 . 149.6178808190 . . . . . . . . . . . 51406 4 20 1 7.443 . 16.5537500582 . . . . . . . . . . . 51406 4 20 2 129.095 . 42.1779107171 . . . . . . . . . . . 51406 4 20 3 38.686 . 130.8510674650 . . . . . . . . . . . 51406 4 21 1 7.775 . 27.7252382591 . . . . . . . . . . . 51406 4 21 2 122.995 . 41.8576800995 . . . . . . . . . . . 51406 4 21 3 31.308 . 112.2839847150 . . . . . . . . . . . 51406 4 22 1 7.542 . 27.0493641621 . . . . . . . . . . . 51406 4 22 2 127.523 . 46.7570382922 . . . . . . . . . . . 51406 4 22 3 40.483 . 148.1780905210 . . . . . . . . . . . 51406 4 23 1 7.615 . 22.0699971464 . . . . . . . . . . . 51406 4 23 2 121.201 . 39.4432922530 . . . . . . . . . . . 51406 4 23 3 61.558 . 102.6825650070 . . . . . . . . . . . 51406 4 24 1 7.613 . 25.0377074009 . . . . . . . . . . . 51406 4 24 2 121.130 . 42.4840026274 . . . . . . . . . . . 51406 4 24 3 69.839 . 311.1130486690 . . . . . . . . . . . 51406 4 25 1 7.615 . 19.9425120314 . . . . . . . . . . . 51406 4 25 2 121.165 . 42.1888663647 . . . . . . . . . . . 51406 4 25 3 21.311 . 86.4212305376 . . . . . . . . . . . 51406 4 26 1 7.886 . 22.1003629580 . . . . . . . . . . . 51406 4 26 2 126.798 . 49.2950102848 . . . . . . . . . . . 51406 4 26 3 63.362 . 176.2744461960 . . . . . . . . . . . 51406 4 27 1 7.487 . 19.4961032948 . . . . . . . . . . . 51406 4 27 2 125.118 . 43.2743637703 . . . . . . . . . . . 51406 4 27 3 41.586 . 147.2753710990 . . . . . . . . . . . 51406 4 28 1 7.595 . 18.7510452351 . . . . . . . . . . . 51406 4 28 2 126.401 . 42.1183949019 . . . . . . . . . . . 51406 4 28 3 55.357 . 110.1042475740 . . . . . . . . . . . 51406 4 29 1 7.595 . 17.9133244923 . . . . . . . . . . . 51406 4 29 2 126.315 . 43.1892354276 . . . . . . . . . . . 51406 4 29 3 33.456 . 85.5476057309 . . . . . . . . . . . 51406 4 30 1 7.572 . 88.8378429814 . . . . . . . . . . . 51406 4 30 2 126.846 . 47.5783787494 . . . . . . . . . . . 51406 4 30 3 61.421 . 112.7170619990 . . . . . . . . . . . 51406 4 31 1 7.571 . 49.3341133374 . . . . . . . . . . . 51406 4 31 2 126.751 . 36.2484625661 . . . . . . . . . . . 51406 4 31 3 69.989 . 249.4694217840 . . . . . . . . . . . 51406 4 32 1 7.569 . 45.7255905416 . . . . . . . . . . . 51406 4 32 2 126.802 . 43.2393131005 . . . . . . . . . . . 51406 4 32 3 21.164 . 83.7563210238 . . . . . . . . . . . 51406 4 33 1 7.952 . 19.0559555503 . . . . . . . . . . . 51406 4 33 2 123.637 . 42.5937811770 . . . . . . . . . . . 51406 4 33 3 51.932 . 89.1160210078 . . . . . . . . . . . 51406 4 34 1 7.953 . 19.7130466710 . . . . . . . . . . . 51406 4 34 2 123.617 . 42.8628607644 . . . . . . . . . . . 51406 4 34 3 19.292 . 104.6572637430 . . . . . . . . . . . 51406 4 35 1 7.656 . 25.7095118531 . . . . . . . . . . . 51406 4 35 2 120.859 . 39.5458904120 . . . . . . . . . . . 51406 4 35 3 33.087 . 136.5433896750 . . . . . . . . . . . 51406 4 36 1 7.658 . 29.8599235150 . . . . . . . . . . . 51406 4 36 2 120.804 . 40.4438093653 . . . . . . . . . . . 51406 4 36 3 28.744 . 125.1666086640 . . . . . . . . . . . 51406 4 37 1 7.659 . 17.7981222377 . . . . . . . . . . . 51406 4 37 2 120.900 . 50.0964011000 . . . . . . . . . . . 51406 4 37 3 24.333 . 104.6124423080 . . . . . . . . . . . 51406 4 38 1 7.882 . 18.9551535775 . . . . . . . . . . . 51406 4 38 2 128.748 . 44.6705056019 . . . . . . . . . . . 51406 4 38 3 21.282 . 87.2555382963 . . . . . . . . . . . 51406 4 39 1 8.157 . 51.9436948440 . . . . . . . . . . . 51406 4 39 2 125.219 . 47.3350597387 . . . . . . . . . . . 51406 4 39 3 41.000 . 133.4876687040 . . . . . . . . . . . 51406 4 40 1 8.116 . 50.5712853760 . . . . . . . . . . . 51406 4 40 2 123.704 . 40.4487690165 . . . . . . . . . . . 51406 4 40 3 53.444 . 106.4882586690 . . . . . . . . . . . 51406 4 41 1 8.115 . 56.6147079989 . . . . . . . . . . . 51406 4 41 2 123.673 . 43.6357520909 . . . . . . . . . . . 51406 4 41 3 40.659 . 123.4020595500 . . . . . . . . . . . 51406 4 42 1 8.159 . 39.3071344921 . . . . . . . . . . . 51406 4 42 2 124.436 . 49.2689536095 . . . . . . . . . . . 51406 4 42 3 55.565 . 114.1283474370 . . . . . . . . . . . 51406 4 43 1 8.157 . 30.1613902845 . . . . . . . . . . . 51406 4 43 2 124.516 . 47.2226163018 . . . . . . . . . . . 51406 4 43 3 33.458 . 87.2854192527 . . . . . . . . . . . 51406 4 44 1 7.918 . 89.2363551284 . . . . . . . . . . . 51406 4 44 2 120.792 . 51.6592094215 . . . . . . . . . . . 51406 4 44 3 33.284 . 91.7927256360 . . . . . . . . . . . 51406 4 45 1 8.273 . 37.5975705996 . . . . . . . . . . . 51406 4 45 2 126.873 . 42.6531489430 . . . . . . . . . . . 51406 4 45 3 54.581 . 107.9598957760 . . . . . . . . . . . 51406 4 46 1 7.624 . 23.0060154650 . . . . . . . . . . . 51406 4 46 2 126.993 . 42.7997917662 . . . . . . . . . . . 51406 4 46 3 61.365 . 85.8344235961 . . . . . . . . . . . 51406 4 49 1 7.965 . 39.8725020785 . . . . . . . . . . . 51406 4 49 2 122.892 . 48.7422682548 . . . . . . . . . . . 51406 4 49 3 47.307 . 98.0724445434 . . . . . . . . . . . 51406 4 50 1 7.884 . 14.0052132246 . . . . . . . . . . . 51406 4 50 2 123.464 . 36.9286750361 . . . . . . . . . . . 51406 4 50 3 28.716 . 289.5213054160 . . . . . . . . . . . 51406 4 51 1 7.885 . 22.3232542767 . . . . . . . . . . . 51406 4 51 2 123.332 . 45.5310791213 . . . . . . . . . . . 51406 4 51 3 24.289 . 106.7670165390 . . . . . . . . . . . 51406 4 52 1 7.878 . 96.4183391643 . . . . . . . . . . . 51406 4 52 2 123.904 . 49.8510834239 . . . . . . . . . . . 51406 4 52 3 41.844 . 334.0211266890 . . . . . . . . . . . 51406 4 53 1 7.489 . 27.4068668109 . . . . . . . . . . . 51406 4 53 2 125.100 . 89.7955225287 . . . . . . . . . . . 51406 4 53 3 26.299 . 139.6164101470 . . . . . . . . . . . 51406 4 54 1 7.499 . 62.8303079044 . . . . . . . . . . . 51406 4 54 2 124.677 . 52.3998260024 . . . . . . . . . . . 51406 4 54 3 24.631 . 110.2725245390 . . . . . . . . . . . 51406 4 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.074 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 4 1 2 1 . . 123.451 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 4 1 3 1 . . 40.645 . . 1 . . . . . . . . . . . . . . . . 105 . 51406 4 2 1 1 . . 7.818 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 4 2 2 1 . . 124.268 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 4 2 3 1 . . 41.854 . . 1 . 1 1 24 LEU CB . . . . . . . . . . 117 . 51406 4 3 1 1 . . 7.818 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 4 3 2 1 . . 124.266 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 4 3 3 1 . . 26.454 . . 1 . 1 1 24 LEU CG . . . . . . . . . . 118 . 51406 4 4 1 1 . . 7.818 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 4 4 2 1 . . 124.333 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 4 4 3 1 . . 24.785 . . 1 . 1 1 24 LEU CD1 . . . . . . . . . . 119 . 51406 4 5 1 1 . . 7.818 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 4 5 2 1 . . 124.338 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 4 5 3 1 . . 22.907 . . 1 . 1 1 24 LEU CD2 . . . . . . . . . . 120 . 51406 4 6 1 1 . . 7.740 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 4 6 2 1 . . 127.856 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 4 6 3 1 . . 30.273 . . 1 . 1 1 17 ARG CB . . . . . . . . . . 125 . 51406 4 7 1 1 . . 7.741 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 4 7 2 1 . . 127.828 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 4 7 3 1 . . 26.742 . . 1 . 1 1 17 ARG CG . . . . . . . . . . 126 . 51406 4 8 1 1 . . 7.740 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 4 8 2 1 . . 127.870 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 4 8 3 1 . . 42.974 . . 1 . 1 1 17 ARG CD . . . . . . . . . . 127 . 51406 4 9 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 4 9 2 1 . . 128.668 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 4 9 3 1 . . 41.647 . . 1 . 1 1 43 LEU CB . . . . . . . . . . 134 . 51406 4 10 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 4 10 2 1 . . 128.672 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 4 10 3 1 . . 26.565 . . 1 . 1 1 43 LEU CG . . . . . . . . . . 135 . 51406 4 11 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 4 11 2 1 . . 128.678 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 4 11 3 1 . . 24.693 . . 1 . 1 1 43 LEU CD1 . . . . . . . . . . 136 . 51406 4 12 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 4 12 2 1 . . 128.643 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 4 12 3 1 . . 22.939 . . 1 . 1 1 43 LEU CD2 . . . . . . . . . . 137 . 51406 4 13 1 1 . . 7.825 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 4 13 2 1 . . 119.912 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 4 13 3 1 . . 18.685 . . 1 . . . . . . . . . . . . . . . . 142 . 51406 4 15 1 1 . . 7.624 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 4 15 2 1 . . 127.017 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 4 15 3 1 . . 21.183 . . 1 . . . . . . . . . . . . . . . . 146 . 51406 4 16 1 1 . . 7.847 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 4 16 2 1 . . 127.450 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 4 16 3 1 . . 33.525 . . 1 . 1 1 34 GLN CG . . . . . . . . . . 151 . 51406 4 17 1 1 . . 8.384 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 4 17 2 1 . . 124.456 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 4 17 3 1 . . 61.824 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 4 18 1 1 . . 8.384 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 4 18 2 1 . . 124.499 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 4 18 3 1 . . 20.440 . . 1 . 1 1 8 VAL CG1 . . . . . . . . . . 157 . 51406 4 19 1 1 . . 7.927 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 4 19 2 1 . . 120.074 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 4 19 3 1 . . 40.514 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 160 . 51406 4 20 1 1 . . 7.443 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 4 20 2 1 . . 129.095 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 4 20 3 1 . . 38.686 . . 1 . . . . . . . . . . . . . . . . 164 . 51406 4 21 1 1 . . 7.775 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 4 21 2 1 . . 122.995 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 4 21 3 1 . . 31.308 . . 1 . 1 1 7 HIS CB . . . . . . . . . . 167 . 51406 4 22 1 1 . . 7.542 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 4 22 2 1 . . 127.523 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 4 22 3 2 . . 40.483 . . 1 . . . . . . . . . . . . . . . . 173 . 51406 4 23 1 1 . . 7.615 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 4 23 2 1 . . 121.201 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 4 23 3 1 . . 61.558 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 4 24 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 4 24 2 1 . . 121.130 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 4 24 3 1 . . 69.839 . . 1 . 1 1 31 THR CB . . . . . . . . . . 176 . 51406 4 25 1 1 . . 7.615 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 4 25 2 1 . . 121.165 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 4 25 3 1 . . 21.311 . . 1 . 1 1 30 THR CG2 . . . . . . . . . . 177 . 51406 4 26 1 1 . . 7.886 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 4 26 2 1 . . 126.798 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 4 26 3 1 . . 63.362 . . 1 . 1 1 19 SER CB . . . . . . . . . . 181 . 51406 4 27 1 1 . . 7.487 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 4 27 2 1 . . 125.118 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 4 27 3 1 . . 41.586 . . 1 . 1 1 27 LEU CB . . . . . . . . . . 186 . 51406 4 28 1 1 . . 7.595 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 4 28 2 1 . . 126.401 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 4 28 3 1 . . 55.357 . . 1 . 1 1 21 GLN CA . . . . . . . . . . 190 . 51406 4 29 1 1 . . 7.595 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 4 29 2 1 . . 126.315 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 4 29 3 1 . . 33.456 . . 1 . 1 1 21 GLN CG . . . . . . . . . . 193 . 51406 4 30 1 1 . . 7.572 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 4 30 2 1 . . 126.846 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 4 30 3 1 . . 61.421 . . 1 . 1 1 5 THR CA . . . . . . . . . . 196 . 51406 4 31 1 1 . . 7.571 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 4 31 2 1 . . 126.751 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 4 31 3 1 . . 69.989 . . 1 . 1 1 5 THR CB . . . . . . . . . . 197 . 51406 4 32 1 1 . . 7.569 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 4 32 2 1 . . 126.802 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 4 32 3 1 . . 21.164 . . 1 . 1 1 5 THR CG2 . . . . . . . . . . 199 . 51406 4 33 1 1 . . 7.952 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 4 33 2 1 . . 123.637 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 4 33 3 1 . . 51.932 . . 1 . . . . . . . . . . . . . . . . 202 . 51406 4 34 1 1 . . 7.953 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 4 34 2 1 . . 123.617 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 4 34 3 1 . . 19.292 . . 1 . . . . . . . . . . . . . . . . 204 . 51406 4 35 1 1 . . 7.656 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 4 35 2 1 . . 120.859 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 4 35 3 1 . . 33.087 . . 1 . 1 1 29 LYS CB . . . . . . . . . . 208 . 51406 4 36 1 1 . . 7.658 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 4 36 2 1 . . 120.804 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 4 36 3 1 . . 28.744 . . 1 . 1 1 29 LYS CD . . . . . . . . . . 209 . 51406 4 37 1 1 . . 7.659 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 4 37 2 1 . . 120.900 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 4 37 3 1 . . 24.333 . . 1 . 1 1 29 LYS CG . . . . . . . . . . 210 . 51406 4 38 1 1 . . 7.882 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 4 38 2 1 . . 128.748 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 4 38 3 1 . . 21.282 . . 1 . 1 1 31 THR CG2 . . . . . . . . . . 214 . 51406 4 39 1 1 . . 8.157 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 4 39 2 1 . . 125.219 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 4 39 3 1 . . 41.000 . . 1 . . . . . . . . . . . . . . . . 219 . 51406 4 40 1 1 . . 8.116 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 4 40 2 1 . . 123.704 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 4 40 3 1 . . 53.444 . . 1 . . . . . . . . . . . . . . . . 221 . 51406 4 41 1 1 . . 8.115 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 4 41 2 1 . . 123.673 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 4 41 3 1 . . 40.659 . . 1 . . . . . . . . . . . . . . . . 223 . 51406 4 42 1 1 . . 8.159 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 4 42 2 1 . . 124.436 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 4 42 3 1 . . 55.565 . . 1 . 1 1 42 GLN CA . . . . . . . . . . 225 . 51406 4 43 1 1 . . 8.157 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 4 43 2 1 . . 124.516 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 4 43 3 1 . . 33.458 . . 1 . 1 1 42 GLN CG . . . . . . . . . . 228 . 51406 4 44 1 1 . . 7.918 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 4 44 2 1 . . 120.792 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 4 44 3 1 . . 33.284 . . 1 . . . . . . . . . . . . . . . . 233 . 51406 4 45 1 1 . . 8.273 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 4 45 2 1 . . 126.873 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 4 45 3 1 . . 54.581 . . 1 . . . . . . . . . . . . . . . . 235 . 51406 4 46 1 1 . . 7.624 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 4 46 2 1 . . 126.993 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 4 46 3 1 . . 61.365 . . 1 . . . . . . . . . . . . . . . . 144 . 51406 4 49 1 1 . . 7.965 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 4 49 2 1 . . 122.892 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 4 49 3 1 . . 47.307 . . 1 . . . . . . . . . . . . . . . . 253 . 51406 4 50 1 1 . . 7.884 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 4 50 2 1 . . 123.464 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 4 50 3 1 . . 28.716 . . 1 . . . . . . . . . . . . . . . . 308 . 51406 4 51 1 1 . . 7.885 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 4 51 2 1 . . 123.332 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 4 51 3 1 . . 24.289 . . 1 . . . . . . . . . . . . . . . . 309 . 51406 4 52 1 1 . . 7.878 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 4 52 2 1 . . 123.904 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 4 52 3 1 . . 41.844 . . 1 . . . . . . . . . . . . . . . . 310 . 51406 4 53 1 1 . . 7.489 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 4 53 2 1 . . 125.100 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 4 53 3 1 . . 26.299 . . 1 . 1 1 27 LEU CG . . . . . . . . . . 314 . 51406 4 54 1 1 . . 7.499 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 4 54 2 1 . . 124.677 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 4 54 3 1 . . 24.631 . . 1 . 1 1 27 LEU CD1 . . . . . . . . . . 315 . 51406 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 51406 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name 'peak list 1 2 3 4 5' _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . aliased 5252.10084034 Hz . . . . . . 51406 5 2 . . N 15 15N . aliased 2553.62614913 Hz . . . . . . 51406 5 3 . . C 13 13C . aliased 3872.96669249 Hz . . . . . . 51406 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51406 5 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Type _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . . 51406 5 2 1.0 . . . 51406 5 3 1.0 . . . 51406 5 4 1.0 . . . 51406 5 5 1.0 . . . 51406 5 6 1.0 . . . 51406 5 7 1.0 . . . 51406 5 8 1.0 . . . 51406 5 9 1.0 . . . 51406 5 10 1.0 . . . 51406 5 11 1.0 . . . 51406 5 12 1.0 . . . 51406 5 13 1.0 . . . 51406 5 14 1.0 . . . 51406 5 15 1.0 . . . 51406 5 16 1.0 . . . 51406 5 17 1.0 . . . 51406 5 18 1.0 . . . 51406 5 19 1.0 . . . 51406 5 20 1.0 . . . 51406 5 21 1.0 . . . 51406 5 22 1.0 . . . 51406 5 23 1.0 . . . 51406 5 24 1.0 . . . 51406 5 25 1.0 . . . 51406 5 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 153779.781250 . height 51406 5 1 3300184.359380 . volume 51406 5 2 88468.328125 . height 51406 5 2 1742317.421880 . volume 51406 5 3 167982.265625 . height 51406 5 3 3279131.968750 . volume 51406 5 4 56939.093750 . height 51406 5 4 1116890.218750 . volume 51406 5 5 657565.750000 . height 51406 5 5 12739038.687500 . volume 51406 5 6 56530.328125 . height 51406 5 6 1126793.078120 . volume 51406 5 7 210606.781250 . height 51406 5 7 4524016.687500 . volume 51406 5 8 275492.937500 . height 51406 5 8 5162161.406250 . volume 51406 5 9 465060.250000 . height 51406 5 9 9639264.718750 . volume 51406 5 10 251204.187500 . height 51406 5 10 5102158.296880 . volume 51406 5 11 80292.140625 . height 51406 5 11 1641112.703120 . volume 51406 5 12 42459.250000 . height 51406 5 12 845964.421875 . volume 51406 5 13 120550.421875 . height 51406 5 13 2357769.281250 . volume 51406 5 14 39086.453125 . height 51406 5 14 809805.937500 . volume 51406 5 15 90127.500000 . height 51406 5 15 1811630.812500 . volume 51406 5 16 123775.312500 . height 51406 5 16 2377444.171880 . volume 51406 5 17 44117.093750 . height 51406 5 17 873109.828125 . volume 51406 5 18 50721.468750 . height 51406 5 18 1082749.250000 . volume 51406 5 19 58751.109375 . height 51406 5 19 1363493.234380 . volume 51406 5 20 178825.468750 . height 51406 5 20 3419825.984380 . volume 51406 5 21 67293.625000 . height 51406 5 21 1506039.437500 . volume 51406 5 22 48900.359375 . height 51406 5 22 1130142.078120 . volume 51406 5 23 61504.031250 . height 51406 5 23 1216149.421880 . volume 51406 5 24 30560.156250 . height 51406 5 24 665257.609375 . volume 51406 5 25 53359.796875 . height 51406 5 25 1131237.062500 . volume 51406 5 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.069 . 23.1997931705 . . . . . . . . . . . 51406 5 1 2 123.459 . 58.5343182635 . . . . . . . . . . . 51406 5 1 3 176.469 . 36.1372203812 . . . . . . . . . . . 51406 5 2 1 7.881 . 16.6536128821 . . . . . . . . . . . 51406 5 2 2 123.400 . 65.2382426169 . . . . . . . . . . . 51406 5 2 3 175.538 . 29.7598465758 . . . . . . . . . . . 51406 5 3 1 7.810 . 15.3763704941 . . . . . . . . . . . 51406 5 3 2 124.274 . 66.5410668175 . . . . . . . . . . . 51406 5 3 3 176.257 . 31.1107620724 . . . . . . . . . . . 51406 5 4 1 7.736 . 14.6641826429 . . . . . . . . . . . 51406 5 4 2 127.883 . 68.9395601586 . . . . . . . . . . . 51406 5 4 3 175.202 . 33.0194034473 . . . . . . . . . . . 51406 5 5 1 7.653 . 15.9232681539 . . . . . . . . . . . 51406 5 5 2 128.669 . 54.1927378560 . . . . . . . . . . . 51406 5 5 3 176.041 . 30.6977771402 . . . . . . . . . . . 51406 5 6 1 7.841 . 16.4667222680 . . . . . . . . . . . 51406 5 6 2 127.462 . 62.6045118435 . . . . . . . . . . . 51406 5 6 3 174.806 . 33.7982805638 . . . . . . . . . . . 51406 5 7 1 8.384 . 26.4573873592 . . . . . . . . . . . 51406 5 7 2 124.463 . 59.0945958361 . . . . . . . . . . . 51406 5 7 3 175.239 . 30.8847630513 . . . . . . . . . . . 51406 5 8 1 7.441 . 13.9989522325 . . . . . . . . . . . 51406 5 8 2 129.082 . 57.5002553027 . . . . . . . . . . . 51406 5 8 3 173.704 . 32.2776926663 . . . . . . . . . . . 51406 5 9 1 7.773 . 20.9317487829 . . . . . . . . . . . 51406 5 9 2 123.023 . 55.1850577784 . . . . . . . . . . . 51406 5 9 3 174.892 . 31.7231986432 . . . . . . . . . . . 51406 5 10 1 7.612 . 17.2590508181 . . . . . . . . . . . 51406 5 10 2 121.154 . 58.9573803425 . . . . . . . . . . . 51406 5 10 3 173.898 . 31.1643185309 . . . . . . . . . . . 51406 5 11 1 7.883 . 16.8993568220 . . . . . . . . . . . 51406 5 11 2 126.830 . 58.9277758905 . . . . . . . . . . . 51406 5 11 3 173.398 . 33.8929277534 . . . . . . . . . . . 51406 5 12 1 7.482 . 18.7986287750 . . . . . . . . . . . 51406 5 12 2 124.977 . 62.0573241572 . . . . . . . . . . . 51406 5 12 3 176.113 . 33.2961887652 . . . . . . . . . . . 51406 5 13 1 7.592 . 16.0478618966 . . . . . . . . . . . 51406 5 13 2 126.300 . 64.1265155346 . . . . . . . . . . . 51406 5 13 3 174.370 . 29.1836529532 . . . . . . . . . . . 51406 5 14 1 7.568 . 17.8244184045 . . . . . . . . . . . 51406 5 14 2 126.778 . 69.1897139729 . . . . . . . . . . . 51406 5 14 3 173.111 . 30.1437448107 . . . . . . . . . . . 51406 5 15 1 7.654 . 16.4091211407 . . . . . . . . . . . 51406 5 15 2 120.863 . 64.4084047127 . . . . . . . . . . . 51406 5 15 3 175.586 . 30.0645643570 . . . . . . . . . . . 51406 5 16 1 7.877 . 14.9931977777 . . . . . . . . . . . 51406 5 16 2 128.789 . 60.1891234167 . . . . . . . . . . . 51406 5 16 3 173.423 . 30.4251470647 . . . . . . . . . . . 51406 5 17 1 7.950 . 15.9104331201 . . . . . . . . . . . 51406 5 17 2 123.668 . 54.7734874018 . . . . . . . . . . . 51406 5 17 3 176.451 . 40.0048277343 . . . . . . . . . . . 51406 5 18 1 8.150 . 27.8958502938 . . . . . . . . . . . 51406 5 18 2 124.505 . 64.2017062765 . . . . . . . . . . . 51406 5 18 3 175.276 . 29.6820512028 . . . . . . . . . . . 51406 5 19 1 8.157 . 36.2837014078 . . . . . . . . . . . 51406 5 19 2 125.304 . 77.5175452598 . . . . . . . . . . . 51406 5 19 3 175.946 . 39.9792037391 . . . . . . . . . . . 51406 5 20 1 7.530 . 15.0786603198 . . . . . . . . . . . 51406 5 20 2 127.499 . 60.3469630915 . . . . . . . . . . . 51406 5 20 3 174.748 . 30.1105028709 . . . . . . . . . . . 51406 5 21 1 7.804 . 21.4006970910 . . . . . . . . . . . 51406 5 21 2 119.881 . 60.8567837188 . . . . . . . . . . . 51406 5 21 3 177.664 . 89.9736960667 . . . . . . . . . . . 51406 5 22 1 7.935 . 34.5537892911 . . . . . . . . . . . 51406 5 22 2 120.124 . 59.8456661109 . . . . . . . . . . . 51406 5 22 3 176.095 . 33.6870124043 . . . . . . . . . . . 51406 5 23 1 7.888 . 16.4626526232 . . . . . . . . . . . 51406 5 23 2 122.990 . 60.9261905575 . . . . . . . . . . . 51406 5 23 3 175.142 . 31.4711139333 . . . . . . . . . . . 51406 5 24 1 7.574 . 17.3235390367 . . . . . . . . . . . 51406 5 24 2 115.087 . 87.0036031667 . . . . . . . . . . . 51406 5 24 3 176.482 . 58.4287111562 . . . . . . . . . . . 51406 5 25 1 7.944 . 20.4465218953 . . . . . . . . . . . 51406 5 25 2 122.545 . 77.0447872754 . . . . . . . . . . . 51406 5 25 3 175.618 . 33.1486776575 . . . . . . . . . . . 51406 5 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.069 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 5 1 2 1 . . 123.459 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 5 1 3 1 . . 176.469 . . 1 . . . . . . . . . . . . . . . . 106 . 51406 5 2 1 1 . . 7.881 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 5 2 2 1 . . 123.400 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 5 2 3 1 . . 175.538 . . 1 . . . . . . . . . . . . . . . . 113 . 51406 5 3 1 1 . . 7.810 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 5 3 2 1 . . 124.274 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 5 3 3 2 . . 176.257 . . 1 . 1 1 24 LEU C . . . . . . . . . . 121 . 51406 5 4 1 1 . . 7.736 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 5 4 2 1 . . 127.883 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 5 4 3 1 . . 175.202 . . 1 . 1 1 17 ARG C . . . . . . . . . . 128 . 51406 5 5 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 5 5 2 1 . . 128.669 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 5 5 3 1 . . 176.041 . . 1 . 1 1 43 LEU C . . . . . . . . . . 139 . 51406 5 6 1 1 . . 7.841 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 5 6 2 1 . . 127.462 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 5 6 3 2 . . 174.806 . . 1 . 1 1 34 GLN C . . . . . . . . . . 152 . 51406 5 7 1 1 . . 8.384 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 5 7 2 1 . . 124.463 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 5 7 3 2 . . 175.239 . . 1 . 1 1 8 VAL C . . . . . . . . . . 169 . 51406 5 8 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 5 8 2 1 . . 129.082 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 5 8 3 2 . . 173.704 . . 1 . 1 1 25 ASN C . . . . . . . . . . 165 . 51406 5 9 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 5 9 2 1 . . 123.023 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 5 9 3 1 . . 174.892 . . 1 . 1 1 7 HIS C . . . . . . . . . . 168 . 51406 5 10 1 1 . . 7.612 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 5 10 2 1 . . 121.154 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 5 10 3 2 . . 173.898 . . 1 . 1 1 30 THR C . . . . . . . . . . 178 . 51406 5 11 1 1 . . 7.883 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 5 11 2 1 . . 126.830 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 5 11 3 1 . . 173.398 . . 1 . 1 1 19 SER C . . . . . . . . . . 183 . 51406 5 12 1 1 . . 7.482 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 5 12 2 1 . . 124.977 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 5 12 3 1 . . 176.113 . . 1 . 1 1 27 LEU C . . . . . . . . . . 188 . 51406 5 13 1 1 . . 7.592 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 5 13 2 1 . . 126.300 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 5 13 3 2 . . 174.370 . . 1 . 1 1 21 GLN C . . . . . . . . . . 194 . 51406 5 14 1 1 . . 7.568 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 5 14 2 1 . . 126.778 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 5 14 3 2 . . 173.111 . . 1 . 1 1 5 THR C . . . . . . . . . . 200 . 51406 5 15 1 1 . . 7.654 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 5 15 2 1 . . 120.863 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 5 15 3 2 . . 175.586 . . 1 . 1 1 29 LYS C . . . . . . . . . . 211 . 51406 5 16 1 1 . . 7.877 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 5 16 2 1 . . 128.789 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 5 16 3 2 . . 173.423 . . 1 . 1 1 31 THR C . . . . . . . . . . 215 . 51406 5 17 1 1 . . 7.950 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 5 17 2 1 . . 123.668 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 5 17 3 1 . . 176.451 . . 1 . . . . . . . . . . . . . . . . 224 . 51406 5 18 1 1 . . 8.150 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 5 18 2 1 . . 124.505 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 5 18 3 1 . . 175.276 . . 1 . 1 1 42 GLN C . . . . . . . . . . 226 . 51406 5 19 1 1 . . 8.157 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 5 19 2 1 . . 125.304 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 5 19 3 2 . . 175.946 . . 1 . 1 1 9 ASP C . . . . . . . . . . 158 . 51406 5 20 1 1 . . 7.530 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 5 20 2 1 . . 127.499 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 5 20 3 1 . . 174.748 . . 1 . . . . . . . . . . . . . . . . 234 . 51406 5 21 1 1 . . 7.804 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 5 21 2 1 . . 119.881 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 5 21 3 1 . . 177.664 . . 1 . 1 1 10 ALA C . . . . . . . . . . 294 . 51406 5 22 1 1 . . 7.935 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 5 22 2 1 . . 120.124 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 5 22 3 1 . . 176.095 . . 1 . 1 1 12 ASP C . . . . . . . . . . 295 . 51406 5 23 1 1 . . 7.888 . . 1 . . . . . . . . . . . . . . . . 98 . 51406 5 23 2 1 . . 122.990 . . 1 . . . . . . . . . . . . . . . . 99 . 51406 5 23 3 1 . . 175.142 . . 1 . . . . . . . . . . . . . . . . 301 . 51406 5 24 1 1 . . 7.574 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 5 24 2 1 . . 115.087 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 5 24 3 1 . . 176.482 . . 1 . 1 1 37 LEU C . . . . . . . . . . 339 . 51406 5 25 1 1 . . 7.944 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 5 25 2 1 . . 122.545 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 5 25 3 1 . . 175.618 . . 1 . 1 1 23 ASP C . . . . . . . . . . 345 . 51406 5 stop_ save_ save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 51406 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name 'peak list 1 2 3 4 5 6' _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name 'HN(CA)CO (H[N[ca[CO]]])' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . aliased 5252.10084034 Hz . . . . . . 51406 6 2 . . N 15 15N . aliased 2553.62614913 Hz . . . . . . 51406 6 3 . . C 13 13C . aliased 3872.96669249 Hz . . . . . . 51406 6 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51406 6 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Type _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . . 51406 6 2 1.0 . . . 51406 6 3 1.0 . . . 51406 6 4 1.0 . . . 51406 6 5 1.0 . . . 51406 6 6 1.0 . . . 51406 6 7 1.0 . . . 51406 6 8 1.0 . . . 51406 6 9 1.0 . . . 51406 6 10 1.0 . . . 51406 6 11 1.0 . . . 51406 6 12 1.0 . . . 51406 6 13 1.0 . . . 51406 6 14 1.0 . . . 51406 6 15 1.0 . . . 51406 6 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 23381.90625 . height 51406 6 1 510319.34375 . volume 51406 6 2 291277.65625 . height 51406 6 2 5556513.56250 . volume 51406 6 3 100127.15625 . height 51406 6 3 1909017.75000 . volume 51406 6 4 27614.46875 . height 51406 6 4 553214.78125 . volume 51406 6 5 90908.59375 . height 51406 6 5 2007228.25000 . volume 51406 6 6 36358.18750 . height 51406 6 6 739980.65625 . volume 51406 6 7 225900.43750 . height 51406 6 7 4741143.34375 . volume 51406 6 8 37230.21875 . height 51406 6 8 842660.06250 . volume 51406 6 9 27140.15625 . height 51406 6 9 601911.18750 . volume 51406 6 10 41397.31250 . height 51406 6 10 959472.12500 . volume 51406 6 11 38972.93750 . height 51406 6 11 917076.50000 . volume 51406 6 12 31671.40625 . height 51406 6 12 630191.28125 . volume 51406 6 13 45494.00000 . height 51406 6 13 819969.65625 . volume 51406 6 14 49588.37500 . height 51406 6 14 966501.12500 . volume 51406 6 15 29413.25000 . height 51406 6 15 655448.31250 . volume 51406 6 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 7.736 . 27.7728217990 . . . . . . . . . . . 51406 6 1 2 127.883 . 52.0090480260 . . . . . . . . . . . 51406 6 1 3 175.146 . 48.6428842907 . . . . . . . . . . . 51406 6 2 1 7.652 . 14.9625189164 . . . . . . . . . . . 51406 6 2 2 128.707 . 57.8261325868 . . . . . . . . . . . 51406 6 2 3 182.276 . 29.9574514399 . . . . . . . . . . . 51406 6 3 1 7.652 . 14.2459483708 . . . . . . . . . . . 51406 6 3 2 128.742 . 56.7722825887 . . . . . . . . . . . 51406 6 3 3 176.044 . 36.2450258387 . . . . . . . . . . . 51406 6 5 1 8.385 . 26.2229132051 . . . . . . . . . . . 51406 6 5 2 124.481 . 68.2415343646 . . . . . . . . . . . 51406 6 5 3 175.941 . 38.4985523386 . . . . . . . . . . . 51406 6 6 1 8.384 . 18.3202889787 . . . . . . . . . . . 51406 6 6 2 124.646 . 58.3553977836 . . . . . . . . . . . 51406 6 6 3 175.239 . 35.6704481437 . . . . . . . . . . . 51406 6 7 1 7.772 . 21.1111262065 . . . . . . . . . . . 51406 6 7 2 123.037 . 57.0819497230 . . . . . . . . . . . 51406 6 7 3 175.222 . 32.2518378242 . . . . . . . . . . . 51406 6 8 1 8.156 . 45.3480527181 . . . . . . . . . . . 51406 6 8 2 125.250 . 63.0361736734 . . . . . . . . . . . 51406 6 8 3 177.560 . 47.4457127655 . . . . . . . . . . . 51406 6 12 1 7.935 . 29.4564025743 . . . . . . . . . . . 51406 6 12 2 120.176 . 67.2927459243 . . . . . . . . . . . 51406 6 12 3 175.683 . 30.1887599375 . . . . . . . . . . . 51406 6 13 1 7.487 . 14.5552413804 . . . . . . . . . . . 51406 6 13 2 124.922 . 60.0374481651 . . . . . . . . . . . 51406 6 13 3 180.091 . 28.9776221806 . . . . . . . . . . . 51406 6 14 1 7.591 . 14.2343655354 . . . . . . . . . . . 51406 6 14 2 126.223 . 64.8781946414 . . . . . . . . . . . 51406 6 14 3 180.294 . 36.9826968006 . . . . . . . . . . . 51406 6 15 1 7.950 . 26.0256919540 . . . . . . . . . . . 51406 6 15 2 123.525 . 85.0834995052 . . . . . . . . . . . 51406 6 15 3 179.462 . 45.9303189210 . . . . . . . . . . . 51406 6 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 7.736 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 6 1 2 1 . . 127.883 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 6 1 3 2 . . 175.146 . . 1 . 1 1 17 ARG C . . . . . . . . . . 128 . 51406 6 2 1 1 . . 7.652 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 6 2 2 1 . . 128.707 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 6 2 3 1 . . 182.276 . . 1 . 1 1 44 LEU C . . . . . . . . . . 138 . 51406 6 3 1 1 . . 7.652 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 6 3 2 1 . . 128.742 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 6 3 3 1 . . 176.044 . . 1 . 1 1 43 LEU C . . . . . . . . . . 139 . 51406 6 5 1 1 . . 8.385 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 6 5 2 1 . . 124.481 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 6 5 3 1 . . 175.941 . . 1 . 1 1 9 ASP C . . . . . . . . . . 158 . 51406 6 6 1 1 . . 8.384 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 6 6 2 1 . . 124.646 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 6 6 3 1 . . 175.239 . . 1 . 1 1 8 VAL C . . . . . . . . . . 169 . 51406 6 7 1 1 . . 7.772 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 6 7 2 1 . . 123.037 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 6 7 3 1 . . 175.222 . . 1 . 1 1 8 VAL C . . . . . . . . . . 169 . 51406 6 8 1 1 . . 8.156 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 6 8 2 1 . . 125.250 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 6 8 3 1 . . 177.560 . . 1 . 1 1 10 ALA C . . . . . . . . . . 294 . 51406 6 12 1 1 . . 7.935 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 6 12 2 1 . . 120.176 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 6 12 3 1 . . 175.683 . . 1 . 1 1 13 HIS C . . . . . . . . . . 296 . 51406 6 13 1 1 . . 7.487 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 6 13 2 1 . . 124.922 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 6 13 3 1 . . 180.091 . . 1 . 1 1 28 HIS C . . . . . . . . . . 298 . 51406 6 14 1 1 . . 7.591 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 6 14 2 1 . . 126.223 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 6 14 3 1 . . 180.294 . . 1 . 1 1 22 TYR C . . . . . . . . . . 299 . 51406 6 15 1 1 . . 7.950 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 6 15 2 1 . . 123.525 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 6 15 3 1 . . 179.462 . . 1 . . . . . . . . . . . . . . . . 300 . 51406 6 stop_ save_ save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 51406 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name 'peak list 1 2 3 4 5 6 7' _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . aliased 4901.96078431 Hz . . . . . . 51406 7 2 . . N 15 15N . aliased 2483.85494287 Hz . . . . . . 51406 7 3 . . C 13 13C . aliased 14084.50704230 Hz . . . . . . 51406 7 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51406 7 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Type _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . . 51406 7 2 1.0 . . . 51406 7 3 1.0 . . . 51406 7 4 1.0 . . . 51406 7 5 1.0 . . . 51406 7 6 1.0 . . . 51406 7 7 1.0 . . . 51406 7 8 1.0 . . . 51406 7 9 1.0 . . . 51406 7 10 1.0 . . . 51406 7 11 1.0 . . . 51406 7 12 1.0 . . . 51406 7 13 1.0 . . . 51406 7 14 1.0 . . . 51406 7 15 1.0 . . . 51406 7 16 1.0 . . . 51406 7 17 1.0 . . . 51406 7 18 1.0 . . . 51406 7 19 1.0 . . . 51406 7 20 1.0 . . . 51406 7 21 1.0 . . . 51406 7 22 1.0 . . . 51406 7 23 1.0 . . . 51406 7 24 1.0 . . . 51406 7 25 1.0 . . . 51406 7 26 1.0 . . . 51406 7 27 1.0 . . . 51406 7 28 1.0 . . . 51406 7 29 1.0 . . . 51406 7 30 1.0 . . . 51406 7 31 1.0 . . . 51406 7 32 1.0 . . . 51406 7 33 1.0 . . . 51406 7 34 1.0 . . . 51406 7 35 1.0 . . . 51406 7 36 1.0 . . . 51406 7 37 1.0 . . . 51406 7 38 1.0 . . . 51406 7 39 1.0 . . . 51406 7 40 1.0 . . . 51406 7 41 1.0 . . . 51406 7 42 1.0 . . . 51406 7 43 1.0 . . . 51406 7 44 1.0 . . . 51406 7 45 1.0 . . . 51406 7 46 1.0 . . . 51406 7 47 1.0 . . . 51406 7 48 1.0 . . . 51406 7 49 1.0 . . . 51406 7 50 1.0 . . . 51406 7 51 1.0 . . . 51406 7 52 1.0 . . . 51406 7 53 1.0 . . . 51406 7 54 1.0 . . . 51406 7 55 1.0 . . . 51406 7 56 1.0 . . . 51406 7 57 1.0 . . . 51406 7 58 1.0 . . . 51406 7 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 586320.1875000 . height 51406 7 1 12535465.8438000 . volume 51406 7 2 815986.5000000 . height 51406 7 2 17994109.8750000 . volume 51406 7 3 204915.0000000 . height 51406 7 3 4155041.6406200 . volume 51406 7 4 460714.3750000 . height 51406 7 4 9087817.8437500 . volume 51406 7 5 384090.4687500 . height 51406 7 5 7646675.8750000 . volume 51406 7 6 157519.9843750 . height 51406 7 6 3003592.4765600 . volume 51406 7 7 124619.8125000 . height 51406 7 7 2576752.5781200 . volume 51406 7 8 1329487.8750000 . height 51406 7 8 25994521.0000000 . volume 51406 7 9 1215244.7500000 . height 51406 7 9 23548549.5938000 . volume 51406 7 10 726019.8125000 . height 51406 7 10 15160019.0312000 . volume 51406 7 11 947267.8750000 . height 51406 7 11 19819523.9375000 . volume 51406 7 12 184290.3125000 . height 51406 7 12 3771099.2734400 . volume 51406 7 13 140573.8750000 . height 51406 7 13 2664073.6796900 . volume 51406 7 14 1167981.5000000 . height 51406 7 14 24452293.4375000 . volume 51406 7 15 517096.7187500 . height 51406 7 15 10594972.9688000 . volume 51406 7 16 465113.5625000 . height 51406 7 16 10073611.9688000 . volume 51406 7 17 599710.8750000 . height 51406 7 17 13290424.7812000 . volume 51406 7 18 244358.7812500 . height 51406 7 18 5414662.4687500 . volume 51406 7 19 264139.2500000 . height 51406 7 19 5853834.2968800 . volume 51406 7 20 583941.8125000 . height 51406 7 20 11845126.3438000 . volume 51406 7 21 1055666.7500000 . height 51406 7 21 20318102.4688000 . volume 51406 7 22 1455613.0000000 . height 51406 7 22 30120572.0000000 . volume 51406 7 23 1711203.0000000 . height 51406 7 23 35432985.8750000 . volume 51406 7 24 555107.8750000 . height 51406 7 24 10990376.1250000 . volume 51406 7 25 353354.6250000 . height 51406 7 25 7044274.0000000 . volume 51406 7 26 435152.6875000 . height 51406 7 26 9443811.5312500 . volume 51406 7 27 635351.7500000 . height 51406 7 27 13970135.8438000 . volume 51406 7 28 319996.4062500 . height 51406 7 28 7055566.9531200 . volume 51406 7 29 241697.5937500 . height 51406 7 29 5477982.1406200 . volume 51406 7 30 243395.5937500 . height 51406 7 30 4799332.8906200 . volume 51406 7 31 351256.4375000 . height 51406 7 31 6979107.1562500 . volume 51406 7 32 229770.1562500 . height 51406 7 32 4819337.6015600 . volume 51406 7 33 345238.9375000 . height 51406 7 33 7252892.6406200 . volume 51406 7 34 106304.4921880 . height 51406 7 34 2055653.6953100 . volume 51406 7 35 108513.6875000 . height 51406 7 35 2202388.8515600 . volume 51406 7 36 83569.5468750 . height 51406 7 36 1700481.3593800 . volume 51406 7 37 123892.2187500 . height 51406 7 37 2617024.5546900 . volume 51406 7 38 140590.6718750 . height 51406 7 38 2911590.3281200 . volume 51406 7 39 232123.7500000 . height 51406 7 39 4553872.3046900 . volume 51406 7 40 184243.0937500 . height 51406 7 40 3589659.4062500 . volume 51406 7 41 178481.2187500 . height 51406 7 41 3525449.2890600 . volume 51406 7 42 246459.8281250 . height 51406 7 42 5253417.9843800 . volume 51406 7 43 217217.0781250 . height 51406 7 43 4612822.3359400 . volume 51406 7 44 269094.0312500 . height 51406 7 44 5494298.8906200 . volume 51406 7 45 260077.0468750 . height 51406 7 45 5328940.3515600 . volume 51406 7 46 195336.1875000 . height 51406 7 46 3776002.8203100 . volume 51406 7 47 194309.5937500 . height 51406 7 47 3711538.3750000 . volume 51406 7 48 251596.7500000 . height 51406 7 48 4941104.8046900 . volume 51406 7 49 316675.1250000 . height 51406 7 49 6192446.0312500 . volume 51406 7 50 54452.3515625 . height 51406 7 50 1057603.5546900 . volume 51406 7 51 74545.7343750 . height 51406 7 51 1570621.3906200 . volume 51406 7 52 221076.8125000 . height 51406 7 52 4549721.7031200 . volume 51406 7 53 183315.1718750 . height 51406 7 53 3930895.3437500 . volume 51406 7 54 601806.2500000 . height 51406 7 54 12723399.7500000 . volume 51406 7 55 49275.7187500 . height 51406 7 55 1011866.5546900 . volume 51406 7 56 56825.6562500 . height 51406 7 56 1026418.5703100 . volume 51406 7 57 -5486.2109375 . height 51406 7 57 -127076.1484380 . volume 51406 7 58 19509.4062500 . height 51406 7 58 353248.6562500 . volume 51406 7 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.058 . 27.4026510762 . . . . . . . . . . . 51406 7 1 2 123.501 . 45.8632277069 . . . . . . . . . . . 51406 7 1 3 53.724 . 111.5160928650 . . . . . . . . . . . 51406 7 2 1 8.054 . 29.2495185254 . . . . . . . . . . . 51406 7 2 2 123.471 . 49.8120724355 . . . . . . . . . . . 51406 7 2 3 40.601 . 118.5872185400 . . . . . . . . . . . 51406 7 3 1 7.867 . 18.6822578019 . . . . . . . . . . . 51406 7 3 2 123.526 . 50.2751706195 . . . . . . . . . . . 51406 7 3 3 32.717 . 113.3159852360 . . . . . . . . . . . 51406 7 4 1 7.790 . 16.9172006495 . . . . . . . . . . . 51406 7 4 2 124.284 . 47.7979358487 . . . . . . . . . . . 51406 7 4 3 54.761 . 106.0668851290 . . . . . . . . . . . 51406 7 5 1 7.791 . 18.6606365092 . . . . . . . . . . . 51406 7 5 2 124.279 . 48.8446443400 . . . . . . . . . . . 51406 7 5 3 41.830 . 122.8795924660 . . . . . . . . . . . 51406 7 6 1 7.716 . 17.5079878639 . . . . . . . . . . . 51406 7 6 2 128.021 . 46.1351942554 . . . . . . . . . . . 51406 7 6 3 55.685 . 91.6891534564 . . . . . . . . . . . 51406 7 7 1 7.720 . 18.9703469183 . . . . . . . . . . . 51406 7 7 2 128.019 . 53.6125717741 . . . . . . . . . . . 51406 7 7 3 30.154 . 106.4950311690 . . . . . . . . . . . 51406 7 8 1 7.641 . 18.0768616059 . . . . . . . . . . . 51406 7 8 2 128.725 . 45.4656413344 . . . . . . . . . . . 51406 7 8 3 54.841 . 113.4654165990 . . . . . . . . . . . 51406 7 9 1 7.640 . 18.4260162653 . . . . . . . . . . . 51406 7 9 2 128.724 . 44.9296288744 . . . . . . . . . . . 51406 7 9 3 41.732 . 111.2508102200 . . . . . . . . . . . 51406 7 10 1 7.784 . 23.2110420863 . . . . . . . . . . . 51406 7 10 2 119.841 . 44.6414509284 . . . . . . . . . . . 51406 7 10 3 52.752 . 115.9201205620 . . . . . . . . . . . 51406 7 11 1 7.784 . 24.1328688229 . . . . . . . . . . . 51406 7 11 2 119.844 . 45.2452699639 . . . . . . . . . . . 51406 7 11 3 18.554 . 113.8557850480 . . . . . . . . . . . 51406 7 12 1 7.827 . 17.2967419905 . . . . . . . . . . . 51406 7 12 2 127.513 . 56.1179359103 . . . . . . . . . . . 51406 7 12 3 55.481 . 112.3690269360 . . . . . . . . . . . 51406 7 13 1 7.829 . 14.7463059893 . . . . . . . . . . . 51406 7 13 2 127.477 . 54.3386795245 . . . . . . . . . . . 51406 7 13 3 29.181 . 100.7687877600 . . . . . . . . . . . 51406 7 14 1 8.376 . 23.5847398347 . . . . . . . . . . . 51406 7 14 2 124.540 . 45.0503630716 . . . . . . . . . . . 51406 7 14 3 61.870 . 113.6106504520 . . . . . . . . . . . 51406 7 15 1 8.376 . 22.8946115456 . . . . . . . . . . . 51406 7 15 2 124.554 . 43.1472634535 . . . . . . . . . . . 51406 7 15 3 32.568 . 112.0130780720 . . . . . . . . . . . 51406 7 16 1 7.912 . 30.1511848674 . . . . . . . . . . . 51406 7 16 2 120.209 . 46.0588748456 . . . . . . . . . . . 51406 7 16 3 54.138 . 121.6493022270 . . . . . . . . . . . 51406 7 17 1 7.912 . 30.5988040625 . . . . . . . . . . . 51406 7 17 2 120.200 . 46.7897201733 . . . . . . . . . . . 51406 7 17 3 40.470 . 113.2706521260 . . . . . . . . . . . 51406 7 18 1 8.004 . 33.6634762147 . . . . . . . . . . . 51406 7 18 2 120.792 . 48.1405219094 . . . . . . . . . . . 51406 7 18 3 56.804 . 127.0468805880 . . . . . . . . . . . 51406 7 19 1 8.005 . 34.6837674870 . . . . . . . . . . . 51406 7 19 2 120.826 . 51.2994496430 . . . . . . . . . . . 51406 7 19 3 30.650 . 110.7983186210 . . . . . . . . . . . 51406 7 20 1 7.421 . 17.8965867734 . . . . . . . . . . . 51406 7 20 2 129.088 . 46.1028084729 . . . . . . . . . . . 51406 7 20 3 52.880 . 112.2892742430 . . . . . . . . . . . 51406 7 21 1 7.421 . 17.2266188790 . . . . . . . . . . . 51406 7 21 2 129.091 . 47.1860481268 . . . . . . . . . . . 51406 7 21 3 38.665 . 113.7617608190 . . . . . . . . . . . 51406 7 22 1 7.759 . 23.4810160656 . . . . . . . . . . . 51406 7 22 2 123.138 . 44.0818246064 . . . . . . . . . . . 51406 7 22 3 56.310 . 114.2893878510 . . . . . . . . . . . 51406 7 23 1 7.759 . 23.6513567906 . . . . . . . . . . . 51406 7 23 2 123.142 . 44.3112269836 . . . . . . . . . . . 51406 7 23 3 31.273 . 113.6366750150 . . . . . . . . . . . 51406 7 24 1 7.520 . 17.3981283225 . . . . . . . . . . . 51406 7 24 2 127.476 . 49.7030341323 . . . . . . . . . . . 51406 7 24 3 40.509 . 110.4171846950 . . . . . . . . . . . 51406 7 25 1 7.521 . 16.1654224583 . . . . . . . . . . . 51406 7 25 2 127.498 . 48.6142426300 . . . . . . . . . . . 51406 7 25 3 53.910 . 122.2134475980 . . . . . . . . . . . 51406 7 26 1 8.157 . 28.2961363886 . . . . . . . . . . . 51406 7 26 2 125.303 . 44.7966806106 . . . . . . . . . . . 51406 7 26 3 53.822 . 111.7364621500 . . . . . . . . . . . 51406 7 27 1 8.157 . 28.3954774632 . . . . . . . . . . . 51406 7 27 2 125.288 . 47.4777792558 . . . . . . . . . . . 51406 7 27 3 40.991 . 115.9150835490 . . . . . . . . . . . 51406 7 28 1 7.897 . 30.3390563703 . . . . . . . . . . . 51406 7 28 2 120.791 . 52.9001585832 . . . . . . . . . . . 51406 7 28 3 55.818 . 106.8396467560 . . . . . . . . . . . 51406 7 29 1 7.897 . 26.5953587551 . . . . . . . . . . . 51406 7 29 2 120.779 . 51.4718530430 . . . . . . . . . . . 51406 7 29 3 28.832 . 129.6199543380 . . . . . . . . . . . 51406 7 30 1 7.869 . 18.4967237360 . . . . . . . . . . . 51406 7 30 2 126.821 . 46.7294270993 . . . . . . . . . . . 51406 7 30 3 58.274 . 103.2721828410 . . . . . . . . . . . 51406 7 31 1 7.868 . 18.7769240024 . . . . . . . . . . . 51406 7 31 2 126.805 . 50.4640445032 . . . . . . . . . . . 51406 7 31 3 63.465 . 107.4277179340 . . . . . . . . . . . 51406 7 32 1 7.937 . 22.9247060477 . . . . . . . . . . . 51406 7 32 2 122.597 . 43.6276093799 . . . . . . . . . . . 51406 7 32 3 53.847 . 124.3990911560 . . . . . . . . . . . 51406 7 33 1 7.937 . 23.3308357351 . . . . . . . . . . . 51406 7 33 2 122.570 . 45.5763822045 . . . . . . . . . . . 51406 7 33 3 40.661 . 119.9975819650 . . . . . . . . . . . 51406 7 34 1 7.470 . 20.4864670249 . . . . . . . . . . . 51406 7 34 2 125.119 . 48.0889267313 . . . . . . . . . . . 51406 7 34 3 54.779 . 115.4932337750 . . . . . . . . . . . 51406 7 35 1 7.470 . 19.7837750117 . . . . . . . . . . . 51406 7 35 2 125.142 . 46.3967233289 . . . . . . . . . . . 51406 7 35 3 41.765 . 97.1480154655 . . . . . . . . . . . 51406 7 36 1 8.114 . 24.9454203774 . . . . . . . . . . . 51406 7 36 2 123.892 . 58.6142690396 . . . . . . . . . . . 51406 7 36 3 53.649 . 106.7049066790 . . . . . . . . . . . 51406 7 37 1 8.109 . 32.5675104179 . . . . . . . . . . . 51406 7 37 2 123.776 . 58.3176522840 . . . . . . . . . . . 51406 7 37 3 40.573 . 107.4990756080 . . . . . . . . . . . 51406 7 38 1 7.936 . 16.8987933327 . . . . . . . . . . . 51406 7 38 2 123.591 . 46.8851379417 . . . . . . . . . . . 51406 7 38 3 51.954 . 129.4583501950 . . . . . . . . . . . 51406 7 39 1 7.937 . 17.1670142342 . . . . . . . . . . . 51406 7 39 2 123.585 . 47.9214089579 . . . . . . . . . . . 51406 7 39 3 19.264 . 105.6194305420 . . . . . . . . . . . 51406 7 40 1 7.637 . 14.4985376620 . . . . . . . . . . . 51406 7 40 2 121.016 . 56.4640011292 . . . . . . . . . . . 51406 7 40 3 55.905 . 107.0491025150 . . . . . . . . . . . 51406 7 41 1 7.638 . 15.7703955968 . . . . . . . . . . . 51406 7 41 2 120.946 . 55.2364504284 . . . . . . . . . . . 51406 7 41 3 32.631 . 107.9322586600 . . . . . . . . . . . 51406 7 42 1 8.146 . 23.0430387983 . . . . . . . . . . . 51406 7 42 2 124.555 . 47.6775717747 . . . . . . . . . . . 51406 7 42 3 55.443 . 116.9287822620 . . . . . . . . . . . 51406 7 43 1 8.142 . 22.2965198405 . . . . . . . . . . . 51406 7 43 2 124.552 . 52.7597338302 . . . . . . . . . . . 51406 7 43 3 29.070 . 119.8641011410 . . . . . . . . . . . 51406 7 44 1 7.864 . 18.0453062057 . . . . . . . . . . . 51406 7 44 2 128.816 . 49.9609730105 . . . . . . . . . . . 51406 7 44 3 61.408 . 110.1590378180 . . . . . . . . . . . 51406 7 45 1 7.864 . 17.7797149209 . . . . . . . . . . . 51406 7 45 2 128.812 . 48.3339112964 . . . . . . . . . . . 51406 7 45 3 69.737 . 109.7241757620 . . . . . . . . . . . 51406 7 46 1 7.546 . 16.8935340994 . . . . . . . . . . . 51406 7 46 2 126.873 . 52.2891221447 . . . . . . . . . . . 51406 7 46 3 61.358 . 101.0584159640 . . . . . . . . . . . 51406 7 47 1 7.547 . 16.8421104843 . . . . . . . . . . . 51406 7 47 2 126.794 . 48.8654452654 . . . . . . . . . . . 51406 7 47 3 69.690 . 107.5150261460 . . . . . . . . . . . 51406 7 48 1 7.582 . 15.9091809217 . . . . . . . . . . . 51406 7 48 2 126.363 . 48.9118587183 . . . . . . . . . . . 51406 7 48 3 29.244 . 110.6556032740 . . . . . . . . . . . 51406 7 49 1 7.581 . 16.7287447873 . . . . . . . . . . . 51406 7 49 2 126.384 . 48.8315789900 . . . . . . . . . . . 51406 7 49 3 55.308 . 110.7382942250 . . . . . . . . . . . 51406 7 50 1 8.272 . 17.0748315605 . . . . . . . . . . . 51406 7 50 2 126.948 . 58.0960224946 . . . . . . . . . . . 51406 7 50 3 54.725 . 95.2012102369 . . . . . . . . . . . 51406 7 51 1 8.273 . 22.1730739463 . . . . . . . . . . . 51406 7 51 2 127.102 . 60.2087228972 . . . . . . . . . . . 51406 7 51 3 40.098 . 122.8443333800 . . . . . . . . . . . 51406 7 52 1 7.814 . 30.3516200944 . . . . . . . . . . . 51406 7 52 2 119.723 . 47.8296183971 . . . . . . . . . . . 51406 7 52 3 55.243 . 115.8957750020 . . . . . . . . . . . 51406 7 53 1 7.819 . 28.4854687896 . . . . . . . . . . . 51406 7 53 2 119.631 . 56.4081125217 . . . . . . . . . . . 51406 7 53 3 41.639 . 120.9949103880 . . . . . . . . . . . 51406 7 54 1 7.950 . 27.2279276567 . . . . . . . . . . . 51406 7 54 2 122.892 . 49.0882594492 . . . . . . . . . . . 51406 7 54 3 47.221 . 108.9329450900 . . . . . . . . . . . 51406 7 55 1 7.553 . 14.0880252801 . . . . . . . . . . . 51406 7 55 2 115.324 . 60.6825916671 . . . . . . . . . . . 51406 7 55 3 54.790 . 341.7100704890 . . . . . . . . . . . 51406 7 56 1 7.554 . 13.2430417865 . . . . . . . . . . . 51406 7 56 2 114.954 . 60.9931990808 . . . . . . . . . . . 51406 7 56 3 41.715 . 120.9395032530 . . . . . . . . . . . 51406 7 57 1 7.615 . 15.8066258711 . . . . . . . . . . . 51406 7 57 2 121.189 . 141.4679083370 . . . . . . . . . . . 51406 7 57 3 63.183 . 159.6384485000 . . . . . . . . . . . 51406 7 58 1 7.592 . 21.3285287221 . . . . . . . . . . . 51406 7 58 2 121.189 . 38.3743763681 . . . . . . . . . . . 51406 7 58 3 70.707 . 327.3978199760 . . . . . . . . . . . 51406 7 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.058 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 7 1 2 1 . . 123.501 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 7 1 3 1 . . 53.724 . . 1 . . . . . . . . . . . . . . . . 103 . 51406 7 2 1 1 . . 8.054 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 7 2 2 1 . . 123.471 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 7 2 3 1 . . 40.601 . . 1 . . . . . . . . . . . . . . . . 105 . 51406 7 3 1 1 . . 7.867 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 7 3 2 1 . . 123.526 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 7 3 3 1 . . 32.717 . . 1 . . . . . . . . . . . . . . . . 112 . 51406 7 4 1 1 . . 7.790 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 7 4 2 1 . . 124.284 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 7 4 3 1 . . 54.761 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 115 . 51406 7 5 1 1 . . 7.791 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 7 5 2 1 . . 124.279 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 7 5 3 1 . . 41.830 . . 1 . 1 1 24 LEU CB . . . . . . . . . . 117 . 51406 7 6 1 1 . . 7.716 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 7 6 2 1 . . 128.021 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 7 6 3 1 . . 55.685 . . 1 . 1 1 17 ARG CA . . . . . . . . . . 123 . 51406 7 7 1 1 . . 7.720 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 7 7 2 1 . . 128.019 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 7 7 3 1 . . 30.154 . . 1 . 1 1 17 ARG CB . . . . . . . . . . 125 . 51406 7 8 1 1 . . 7.641 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 7 8 2 1 . . 128.725 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 7 8 3 1 . . 54.841 . . 1 . 1 1 43 LEU CA . . . . . . . . . . 132 . 51406 7 9 1 1 . . 7.640 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 7 9 2 1 . . 128.724 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 7 9 3 1 . . 41.732 . . 1 . 1 1 43 LEU CB . . . . . . . . . . 134 . 51406 7 10 1 1 . . 7.784 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 7 10 2 1 . . 119.841 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 7 10 3 1 . . 52.752 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 216 . 51406 7 11 1 1 . . 7.784 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 7 11 2 1 . . 119.844 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 7 11 3 1 . . 18.554 . . 1 . . . . . . . . . . . . . . . . 142 . 51406 7 12 1 1 . . 7.827 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 7 12 2 1 . . 127.513 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 7 12 3 1 . . 55.481 . . 1 . 1 1 34 GLN CA . . . . . . . . . . 148 . 51406 7 13 1 1 . . 7.829 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 7 13 2 1 . . 127.477 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 7 13 3 1 . . 29.181 . . 1 . 1 1 34 GLN CB . . . . . . . . . . 150 . 51406 7 14 1 1 . . 8.376 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 7 14 2 1 . . 124.540 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 7 14 3 1 . . 61.870 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 7 15 1 1 . . 8.376 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 7 15 2 1 . . 124.554 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 7 15 3 1 . . 32.568 . . 1 . 1 1 8 VAL CB . . . . . . . . . . 156 . 51406 7 16 1 1 . . 7.912 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 7 16 2 1 . . 120.209 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 7 16 3 1 . . 54.138 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 159 . 51406 7 17 1 1 . . 7.912 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 7 17 2 1 . . 120.200 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 7 17 3 1 . . 40.470 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 160 . 51406 7 18 1 1 . . 8.004 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 7 18 2 1 . . 120.792 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 7 18 3 2 . . 56.804 . . 1 . 1 1 13 HIS CA . . . . . . . . . . 242 . 51406 7 19 1 1 . . 8.005 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 7 19 2 1 . . 120.826 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 7 19 3 2 . . 30.650 . . 1 . 1 1 13 HIS CB . . . . . . . . . . 244 . 51406 7 20 1 1 . . 7.421 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 7 20 2 1 . . 129.088 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 7 20 3 1 . . 52.880 . . 1 . . . . . . . . . . . . . . . . 162 . 51406 7 21 1 1 . . 7.421 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 7 21 2 1 . . 129.091 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 7 21 3 1 . . 38.665 . . 1 . . . . . . . . . . . . . . . . 164 . 51406 7 22 1 1 . . 7.759 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 7 22 2 1 . . 123.138 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 7 22 3 1 . . 56.310 . . 1 . 1 1 7 HIS CA . . . . . . . . . . 166 . 51406 7 23 1 1 . . 7.759 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 7 23 2 1 . . 123.142 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 7 23 3 1 . . 31.273 . . 1 . 1 1 7 HIS CB . . . . . . . . . . 167 . 51406 7 24 1 1 . . 7.520 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 7 24 2 1 . . 127.476 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 7 24 3 1 . . 40.509 . . 1 . . . . . . . . . . . . . . . . 173 . 51406 7 25 1 1 . . 7.521 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 7 25 2 1 . . 127.498 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 7 25 3 1 . . 53.910 . . 1 . . . . . . . . . . . . . . . . 171 . 51406 7 26 1 1 . . 8.157 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 7 26 2 1 . . 125.303 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 7 26 3 2 . . 53.822 . . 1 . 1 1 9 ASP CA . . . . . . . . . . 153 . 51406 7 27 1 1 . . 8.157 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 7 27 2 1 . . 125.288 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 7 27 3 2 . . 40.991 . . 1 . 1 1 9 ASP CB . . . . . . . . . . 155 . 51406 7 28 1 1 . . 7.897 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 7 28 2 1 . . 120.791 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 7 28 3 1 . . 55.818 . . 1 . . . . . . . . . . . . . . . . 230 . 51406 7 29 1 1 . . 7.897 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 7 29 2 1 . . 120.779 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 7 29 3 1 . . 28.832 . . 1 . . . . . . . . . . . . . . . . 232 . 51406 7 30 1 1 . . 7.869 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 7 30 2 1 . . 126.821 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 7 30 3 1 . . 58.274 . . 1 . 1 1 19 SER CA . . . . . . . . . . 180 . 51406 7 31 1 1 . . 7.868 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 7 31 2 1 . . 126.805 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 7 31 3 1 . . 63.465 . . 1 . 1 1 19 SER CB . . . . . . . . . . 181 . 51406 7 32 1 1 . . 7.937 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 7 32 2 1 . . 122.597 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 7 32 3 1 . . 53.847 . . 1 . 1 1 23 ASP CA . . . . . . . . . . 245 . 51406 7 33 1 1 . . 7.937 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 7 33 2 1 . . 122.570 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 7 33 3 1 . . 40.661 . . 1 . 1 1 23 ASP CB . . . . . . . . . . 246 . 51406 7 34 1 1 . . 7.470 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 7 34 2 1 . . 125.119 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 7 34 3 1 . . 54.779 . . 1 . 1 1 27 LEU CA . . . . . . . . . . 185 . 51406 7 35 1 1 . . 7.470 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 7 35 2 1 . . 125.142 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 7 35 3 1 . . 41.765 . . 1 . 1 1 27 LEU CB . . . . . . . . . . 186 . 51406 7 36 1 1 . . 8.114 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 7 36 2 1 . . 123.892 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 7 36 3 1 . . 53.649 . . 1 . . . . . . . . . . . . . . . . 221 . 51406 7 37 1 1 . . 8.109 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 7 37 2 1 . . 123.776 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 7 37 3 1 . . 40.573 . . 1 . . . . . . . . . . . . . . . . 223 . 51406 7 38 1 1 . . 7.936 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 7 38 2 1 . . 123.591 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 7 38 3 1 . . 51.954 . . 1 . . . . . . . . . . . . . . . . 202 . 51406 7 39 1 1 . . 7.937 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 7 39 2 1 . . 123.585 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 7 39 3 1 . . 19.264 . . 1 . . . . . . . . . . . . . . . . 204 . 51406 7 40 1 1 . . 7.637 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 7 40 2 1 . . 121.016 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 7 40 3 1 . . 55.905 . . 1 . 1 1 29 LYS CA . . . . . . . . . . 207 . 51406 7 41 1 1 . . 7.638 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 7 41 2 1 . . 120.946 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 7 41 3 1 . . 32.631 . . 1 . 1 1 29 LYS CB . . . . . . . . . . 208 . 51406 7 42 1 1 . . 8.146 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 7 42 2 1 . . 124.555 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 7 42 3 1 . . 55.443 . . 1 . 1 1 42 GLN CA . . . . . . . . . . 225 . 51406 7 43 1 1 . . 8.142 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 7 43 2 1 . . 124.552 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 7 43 3 1 . . 29.070 . . 1 . 1 1 42 GLN CB . . . . . . . . . . 227 . 51406 7 44 1 1 . . 7.864 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 7 44 2 1 . . 128.816 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 7 44 3 1 . . 61.408 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 7 45 1 1 . . 7.864 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 7 45 2 1 . . 128.812 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 7 45 3 1 . . 69.737 . . 1 . 1 1 31 THR CB . . . . . . . . . . 176 . 51406 7 46 1 1 . . 7.546 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 7 46 2 1 . . 126.873 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 7 46 3 1 . . 61.358 . . 1 . 1 1 5 THR CA . . . . . . . . . . 196 . 51406 7 47 1 1 . . 7.547 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 7 47 2 1 . . 126.794 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 7 47 3 1 . . 69.690 . . 1 . 1 1 5 THR CB . . . . . . . . . . 197 . 51406 7 48 1 1 . . 7.582 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 7 48 2 1 . . 126.363 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 7 48 3 1 . . 29.244 . . 1 . 1 1 21 GLN CB . . . . . . . . . . 192 . 51406 7 49 1 1 . . 7.581 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 7 49 2 1 . . 126.384 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 7 49 3 1 . . 55.308 . . 1 . 1 1 21 GLN CA . . . . . . . . . . 190 . 51406 7 50 1 1 . . 8.272 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 7 50 2 1 . . 126.948 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 7 50 3 1 . . 54.725 . . 1 . . . . . . . . . . . . . . . . 235 . 51406 7 51 1 1 . . 8.273 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 7 51 2 1 . . 127.102 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 7 51 3 1 . . 40.098 . . 1 . . . . . . . . . . . . . . . . 236 . 51406 7 52 1 1 . . 7.814 . . 1 . . . . . . . . . . . . . . . . 247 . 51406 7 52 2 1 . . 119.723 . . 1 . . . . . . . . . . . . . . . . 248 . 51406 7 52 3 1 . . 55.243 . . 1 . . . . . . . . . . . . . . . . 252 . 51406 7 53 1 1 . . 7.819 . . 1 . . . . . . . . . . . . . . . . 247 . 51406 7 53 2 1 . . 119.631 . . 1 . . . . . . . . . . . . . . . . 248 . 51406 7 53 3 1 . . 41.639 . . 1 . . . . . . . . . . . . . . . . 251 . 51406 7 54 1 1 . . 7.950 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 7 54 2 1 . . 122.892 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 7 54 3 1 . . 47.221 . . 1 . . . . . . . . . . . . . . . . 253 . 51406 7 55 1 1 . . 7.553 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 7 55 2 1 . . 115.324 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 7 55 3 1 . . 54.790 . . 1 . 1 1 37 LEU CA . . . . . . . . . . 108 . 51406 7 56 1 1 . . 7.554 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 7 56 2 1 . . 114.954 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 7 56 3 1 . . 41.715 . . 1 . 1 1 37 LEU CB . . . . . . . . . . 240 . 51406 7 57 1 1 . . 7.615 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 7 57 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 7 57 3 1 . . 63.183 . . 1 . 1 1 30 THR CA . . . . . . . . . . 205 . 51406 7 58 1 1 . . 7.592 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 7 58 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 7 58 3 1 . . 70.707 . . 1 . . . . . . . . . . . . . . . . 175 . 51406 7 stop_ save_ save_spectral_peak_list_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_8 _Spectral_peak_list.Entry_ID 51406 _Spectral_peak_list.ID 8 _Spectral_peak_list.Name 'peak list 1 2 3 4 5 6 7 8' _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '3D 1H-15N TOCSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . aliased 4208.75420875 Hz . . . . . . 51406 8 2 . . N 15 15N . aliased 2411.96333816 Hz . . . . . . 51406 8 3 . . H 1 1H . aliased 8403.36134454 Hz . . . . . . 51406 8 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51406 8 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Type _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . . 51406 8 2 1.0 . . . 51406 8 3 1.0 . . . 51406 8 4 1.0 . . . 51406 8 5 1.0 . . . 51406 8 6 1.0 . . . 51406 8 7 1.0 . . . 51406 8 8 1.0 . . . 51406 8 9 1.0 . . . 51406 8 10 1.0 . . . 51406 8 11 1.0 . . . 51406 8 12 1.0 . . . 51406 8 13 1.0 . . . 51406 8 14 1.0 . . . 51406 8 15 1.0 . . . 51406 8 16 1.0 . . . 51406 8 17 1.0 . . . 51406 8 18 1.0 . . . 51406 8 19 1.0 . . . 51406 8 20 1.0 . . . 51406 8 21 1.0 . . . 51406 8 22 1.0 . . . 51406 8 23 1.0 . . . 51406 8 24 1.0 . . . 51406 8 25 1.0 . . . 51406 8 26 1.0 . . . 51406 8 27 1.0 . . . 51406 8 28 1.0 . . . 51406 8 29 1.0 . . . 51406 8 30 1.0 . . . 51406 8 31 1.0 . . . 51406 8 32 1.0 . . . 51406 8 33 1.0 . . . 51406 8 34 1.0 . . . 51406 8 35 1.0 . . . 51406 8 36 1.0 . . . 51406 8 37 1.0 . . . 51406 8 38 1.0 . . . 51406 8 39 1.0 . . . 51406 8 40 1.0 . . . 51406 8 41 1.0 . . . 51406 8 42 1.0 . . . 51406 8 43 1.0 . . . 51406 8 44 1.0 . . . 51406 8 45 1.0 . . . 51406 8 46 1.0 . . . 51406 8 47 1.0 . . . 51406 8 48 1.0 . . . 51406 8 49 1.0 . . . 51406 8 50 1.0 . . . 51406 8 51 1.0 . . . 51406 8 52 1.0 . . . 51406 8 53 1.0 . . . 51406 8 54 1.0 . . . 51406 8 55 1.0 . . . 51406 8 56 1.0 . . . 51406 8 57 1.0 . . . 51406 8 58 1.0 . . . 51406 8 59 1.0 . . . 51406 8 60 1.0 . . . 51406 8 61 1.0 . . . 51406 8 62 1.0 . . . 51406 8 63 1.0 . . . 51406 8 64 1.0 . . . 51406 8 65 1.0 . . . 51406 8 66 1.0 . . . 51406 8 67 1.0 . . . 51406 8 68 1.0 . . . 51406 8 69 1.0 . . . 51406 8 70 1.0 . . . 51406 8 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 46458.5 . height 51406 8 1 1413758.0 . volume 51406 8 2 19417.0 . height 51406 8 2 473144.5 . volume 51406 8 3 161312.0 . height 51406 8 3 3200848.0 . volume 51406 8 4 136620.0 . height 51406 8 4 2688237.5 . volume 51406 8 5 10293.0 . height 51406 8 5 238484.0 . volume 51406 8 6 51874.5 . height 51406 8 6 982199.5 . volume 51406 8 7 45307.0 . height 51406 8 7 930997.5 . volume 51406 8 8 58235.5 . height 51406 8 8 1791133.5 . volume 51406 8 9 319451.5 . height 51406 8 9 6455759.0 . volume 51406 8 10 15479.5 . height 51406 8 10 521750.0 . volume 51406 8 11 31069.5 . height 51406 8 11 944632.5 . volume 51406 8 12 203723.0 . height 51406 8 12 5078043.5 . volume 51406 8 13 583415.0 . height 51406 8 13 11807871.0 . volume 51406 8 14 -1679.0 . height 51406 8 14 386177.5 . volume 51406 8 15 127673.5 . height 51406 8 15 2643461.5 . volume 51406 8 16 86449.5 . height 51406 8 16 1842780.0 . volume 51406 8 17 75792.5 . height 51406 8 17 1373845.5 . volume 51406 8 18 357362.5 . height 51406 8 18 8220397.5 . volume 51406 8 19 1186061.5 . height 51406 8 19 24488337.5 . volume 51406 8 20 1073510.5 . height 51406 8 20 22122091.5 . volume 51406 8 21 231503.0 . height 51406 8 21 4879713.5 . volume 51406 8 22 176677.5 . height 51406 8 22 3797470.5 . volume 51406 8 23 -60194.0 . height 51406 8 23 -1030196.5 . volume 51406 8 24 57853.5 . height 51406 8 24 1289598.0 . volume 51406 8 25 61309.0 . height 51406 8 25 1294183.0 . volume 51406 8 26 13113.5 . height 51406 8 26 752585.0 . volume 51406 8 27 42095.0 . height 51406 8 27 719113.5 . volume 51406 8 28 192749.5 . height 51406 8 28 4080176.5 . volume 51406 8 29 161927.5 . height 51406 8 29 3218703.0 . volume 51406 8 30 82974.5 . height 51406 8 30 1765062.5 . volume 51406 8 31 74695.5 . height 51406 8 31 1466448.0 . volume 51406 8 32 93045.0 . height 51406 8 32 1842033.5 . volume 51406 8 33 65421.0 . height 51406 8 33 1306583.0 . volume 51406 8 34 42207.5 . height 51406 8 34 794964.0 . volume 51406 8 35 -10802.5 . height 51406 8 35 119812.5 . volume 51406 8 36 30677.0 . height 51406 8 36 930526.5 . volume 51406 8 37 116174.5 . height 51406 8 37 3953128.5 . volume 51406 8 38 -23889.5 . height 51406 8 38 -174314.0 . volume 51406 8 39 25011.5 . height 51406 8 39 772932.0 . volume 51406 8 40 48154.0 . height 51406 8 40 1352904.5 . volume 51406 8 41 306666.5 . height 51406 8 41 6830292.5 . volume 51406 8 42 59048.5 . height 51406 8 42 1664264.5 . volume 51406 8 43 79374.0 . height 51406 8 43 2271034.5 . volume 51406 8 44 83091.0 . height 51406 8 44 2252498.0 . volume 51406 8 45 41183.5 . height 51406 8 45 1095533.0 . volume 51406 8 46 336866.0 . height 51406 8 46 6854722.5 . volume 51406 8 47 306023.0 . height 51406 8 47 6566466.5 . volume 51406 8 48 27616.0 . height 51406 8 48 721782.0 . volume 51406 8 49 27794.0 . height 51406 8 49 893336.0 . volume 51406 8 50 45183.5 . height 51406 8 50 1096943.5 . volume 51406 8 51 18040.5 . height 51406 8 51 588675.5 . volume 51406 8 52 93539.0 . height 51406 8 52 1870109.5 . volume 51406 8 53 127790.5 . height 51406 8 53 2664570.5 . volume 51406 8 54 87054.0 . height 51406 8 54 1746802.5 . volume 51406 8 55 69299.5 . height 51406 8 55 1394337.5 . volume 51406 8 56 23177.0 . height 51406 8 56 589267.0 . volume 51406 8 57 193112.5 . height 51406 8 57 4070516.5 . volume 51406 8 58 34888.0 . height 51406 8 58 589785.5 . volume 51406 8 59 47585.5 . height 51406 8 59 722658.0 . volume 51406 8 60 46179.0 . height 51406 8 60 626337.5 . volume 51406 8 61 54633.0 . height 51406 8 61 806759.5 . volume 51406 8 62 -40465.5 . height 51406 8 62 -624210.0 . volume 51406 8 63 61396.5 . height 51406 8 63 796674.5 . volume 51406 8 64 60455.5 . height 51406 8 64 1566095.0 . volume 51406 8 65 267628.0 . height 51406 8 65 5412926.0 . volume 51406 8 66 259188.5 . height 51406 8 66 5209783.5 . volume 51406 8 67 51192.0 . height 51406 8 67 1588669.5 . volume 51406 8 68 119789.0 . height 51406 8 68 2794582.5 . volume 51406 8 69 104303.5 . height 51406 8 69 2813919.5 . volume 51406 8 70 -1930.0 . height 51406 8 70 31701.5 . volume 51406 8 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 7.770 . 32.46634395840 . . . . . . . . . . . 51406 8 1 2 123.021 . 64.90537525660 . . . . . . . . . . . 51406 8 1 3 3.693 . 253.09935337400 . . . . . . . . . . . 51406 8 2 1 7.771 . 22.52935159090 . . . . . . . . . . . 51406 8 2 2 123.021 . 90.53012511610 . . . . . . . . . . . 51406 8 2 3 1.659 . 222.79665249700 . . . . . . . . . . . 51406 8 3 1 7.773 . 26.91917347190 . . . . . . . . . . . 51406 8 3 2 122.947 . 57.05628024740 . . . . . . . . . . . 51406 8 3 3 0.659 . 94.37619137160 . . . . . . . . . . . 51406 8 4 1 7.773 . 27.78865873610 . . . . . . . . . . . 51406 8 4 2 122.946 . 57.02573035110 . . . . . . . . . . . 51406 8 4 3 0.502 . 193.08849543100 . . . . . . . . . . . 51406 8 5 1 8.379 . 7.66770105169 . . . . . . . . . . . 51406 8 5 2 124.478 . 50.51773984940 . . . . . . . . . . . 51406 8 5 3 4.253 . 279.43909669100 . . . . . . . . . . . 51406 8 6 1 8.383 . 22.05133538450 . . . . . . . . . . . 51406 8 6 2 124.555 . 49.46603271270 . . . . . . . . . . . 51406 8 6 3 2.561 . 204.93078632500 . . . . . . . . . . . 51406 8 7 1 8.384 . 44.93941863380 . . . . . . . . . . . 51406 8 7 2 124.600 . 54.05017044940 . . . . . . . . . . . 51406 8 7 3 2.406 . 217.06308637300 . . . . . . . . . . . 51406 8 8 1 7.655 . 55.52237884770 . . . . . . . . . . . 51406 8 8 2 120.886 . 63.35947862060 . . . . . . . . . . . 51406 8 8 3 3.825 . 302.34881809800 . . . . . . . . . . . 51406 8 9 1 7.656 . 24.17324568690 . . . . . . . . . . . 51406 8 9 2 120.897 . 63.54227482380 . . . . . . . . . . . 51406 8 9 3 3.920 . 82.14321457040 . . . . . . . . . . . 51406 8 10 1 7.655 . 64.12867745170 . . . . . . . . . . . 51406 8 10 2 120.886 . 71.25659087860 . . . . . . . . . . . 51406 8 10 3 0.875 . 224.44855265300 . . . . . . . . . . . 51406 8 11 1 7.613 . 54.43614942060 . . . . . . . . . . . 51406 8 11 2 121.189 . 59.93178025340 . . . . . . . . . . . 51406 8 11 3 0.893 . 248.06200957100 . . . . . . . . . . . 51406 8 12 1 7.613 . 23.88726380540 . . . . . . . . . . . 51406 8 12 2 121.189 . 63.26617564320 . . . . . . . . . . . 51406 8 12 3 3.862 . 261.59677184900 . . . . . . . . . . . 51406 8 13 1 7.614 . 21.88037340890 . . . . . . . . . . . 51406 8 13 2 121.197 . 60.99426970640 . . . . . . . . . . . 51406 8 13 3 3.963 . 90.61308468090 . . . . . . . . . . . 51406 8 14 1 7.877 . 22.95004599020 . . . . . . . . . . . 51406 8 14 2 128.805 . 25.46466840270 . . . . . . . . . . . 51406 8 14 3 3.852 . 1.40045871254 . . . . . . . . . . . 51406 8 15 1 7.878 . 19.93130654200 . . . . . . . . . . . 51406 8 15 2 128.764 . 63.50978411050 . . . . . . . . . . . 51406 8 15 3 1.471 . 318.13403137600 . . . . . . . . . . . 51406 8 16 1 7.880 . 18.63761482010 . . . . . . . . . . . 51406 8 16 2 128.839 . 63.27893471750 . . . . . . . . . . . 51406 8 16 3 1.230 . 368.01009618900 . . . . . . . . . . . 51406 8 17 1 7.877 . 17.35621530200 . . . . . . . . . . . 51406 8 17 2 128.814 . 51.17614402670 . . . . . . . . . . . 51406 8 17 3 1.013 . 78.50783211840 . . . . . . . . . . . 51406 8 18 1 7.654 . 21.54722960310 . . . . . . . . . . . 51406 8 18 2 128.709 . 59.75987418980 . . . . . . . . . . . 51406 8 18 3 3.898 . 240.75568223200 . . . . . . . . . . . 51406 8 19 1 7.654 . 19.84538654690 . . . . . . . . . . . 51406 8 19 2 128.701 . 65.47676614100 . . . . . . . . . . . 51406 8 19 3 1.362 . 196.84008189600 . . . . . . . . . . . 51406 8 20 1 7.653 . 19.71995589710 . . . . . . . . . . . 51406 8 20 2 128.682 . 65.34705487530 . . . . . . . . . . . 51406 8 20 3 1.214 . 199.76571828400 . . . . . . . . . . . 51406 8 21 1 7.653 . 23.69711094030 . . . . . . . . . . . 51406 8 21 2 128.753 . 60.70041564480 . . . . . . . . . . . 51406 8 21 3 0.636 . 186.84653674900 . . . . . . . . . . . 51406 8 22 1 7.654 . 19.46884373620 . . . . . . . . . . . 51406 8 22 2 128.625 . 71.94612000910 . . . . . . . . . . . 51406 8 22 3 0.515 . 207.09508607400 . . . . . . . . . . . 51406 8 24 1 7.579 . 21.96140160870 . . . . . . . . . . . 51406 8 24 2 115.268 . 95.94047581350 . . . . . . . . . . . 51406 8 24 3 3.349 . 76.51232871690 . . . . . . . . . . . 51406 8 25 1 7.576 . 18.76743554270 . . . . . . . . . . . 51406 8 25 2 115.016 . 80.45275661030 . . . . . . . . . . . 51406 8 25 3 3.524 . 97.32186293400 . . . . . . . . . . . 51406 8 26 1 7.737 . 8.44311332863 . . . . . . . . . . . 51406 8 26 2 127.920 . 34.82990085470 . . . . . . . . . . . 51406 8 26 3 3.842 . 272.54098603700 . . . . . . . . . . . 51406 8 27 1 7.737 . 19.39195474790 . . . . . . . . . . . 51406 8 27 2 127.748 . 43.88478230120 . . . . . . . . . . . 51406 8 27 3 2.787 . 81.65886422170 . . . . . . . . . . . 51406 8 28 1 7.737 . 21.70313990080 . . . . . . . . . . . 51406 8 28 2 127.890 . 66.11227586660 . . . . . . . . . . . 51406 8 28 3 1.479 . 273.78066247300 . . . . . . . . . . . 51406 8 29 1 7.740 . 19.67179052760 . . . . . . . . . . . 51406 8 29 2 127.938 . 59.47191446110 . . . . . . . . . . . 51406 8 29 3 1.252 . 304.97392686500 . . . . . . . . . . . 51406 8 30 1 7.739 . 21.62800694150 . . . . . . . . . . . 51406 8 30 2 127.811 . 67.69432920340 . . . . . . . . . . . 51406 8 30 3 1.039 . 111.00288198800 . . . . . . . . . . . 51406 8 31 1 7.842 . 19.41114563730 . . . . . . . . . . . 51406 8 31 2 127.498 . 55.50844279450 . . . . . . . . . . . 51406 8 31 3 1.518 . 199.83283611900 . . . . . . . . . . . 51406 8 32 1 7.843 . 19.62625920170 . . . . . . . . . . . 51406 8 32 2 127.473 . 58.17667073920 . . . . . . . . . . . 51406 8 32 3 1.381 . 182.40073147900 . . . . . . . . . . . 51406 8 33 1 7.843 . 24.37581618630 . . . . . . . . . . . 51406 8 33 2 127.427 . 62.28063598790 . . . . . . . . . . . 51406 8 33 3 1.194 . 90.14225807510 . . . . . . . . . . . 51406 8 34 1 7.846 . 19.82945685430 . . . . . . . . . . . 51406 8 34 2 127.509 . 55.38203810590 . . . . . . . . . . . 51406 8 34 3 2.779 . 75.32574549440 . . . . . . . . . . . 51406 8 35 1 7.844 . 30.53032187900 . . . . . . . . . . . 51406 8 35 2 127.483 . 33.26218799870 . . . . . . . . . . . 51406 8 35 3 3.840 . 8.56854334599 . . . . . . . . . . . 51406 8 36 1 7.443 . 16.14593496230 . . . . . . . . . . . 51406 8 36 2 129.106 . 43.78504587500 . . . . . . . . . . . 51406 8 36 3 3.772 . 279.38600347800 . . . . . . . . . . . 51406 8 37 1 7.442 . 20.11054694050 . . . . . . . . . . . 51406 8 37 2 129.106 . 69.21934408670 . . . . . . . . . . . 51406 8 37 3 1.042 . 247.58166625700 . . . . . . . . . . . 51406 8 38 1 7.950 . 22.57939842010 . . . . . . . . . . . 51406 8 38 2 123.644 . 36.00740168210 . . . . . . . . . . . 51406 8 38 3 4.111 . 25.98011193160 . . . . . . . . . . . 51406 8 39 1 7.951 . 16.60400769530 . . . . . . . . . . . 51406 8 39 2 123.644 . 62.71836209060 . . . . . . . . . . . 51406 8 39 3 2.403 . 246.92501340600 . . . . . . . . . . . 51406 8 40 1 7.814 . 22.82047612900 . . . . . . . . . . . 51406 8 40 2 124.291 . 47.53211645250 . . . . . . . . . . . 51406 8 40 3 4.152 . 291.63050050500 . . . . . . . . . . . 51406 8 41 1 7.813 . 22.40128689740 . . . . . . . . . . . 51406 8 41 2 124.291 . 59.47956990570 . . . . . . . . . . . 51406 8 41 3 2.409 . 249.05926039200 . . . . . . . . . . . 51406 8 42 1 7.594 . 23.01853112500 . . . . . . . . . . . 51406 8 42 2 126.290 . 83.83373160670 . . . . . . . . . . . 51406 8 42 3 4.098 . 262.59402267100 . . . . . . . . . . . 51406 8 43 1 7.595 . 20.55406971810 . . . . . . . . . . . 51406 8 43 2 126.290 . 122.48546043200 . . . . . . . . . . . 51406 8 43 3 2.562 . 418.01939491500 . . . . . . . . . . . 51406 8 44 1 7.592 . 23.51950114020 . . . . . . . . . . . 51406 8 44 2 126.290 . 123.51179318400 . . . . . . . . . . . 51406 8 44 3 2.790 . 416.24227491700 . . . . . . . . . . . 51406 8 46 1 7.883 . 21.64368577280 . . . . . . . . . . . 51406 8 46 2 123.315 . 67.40543500730 . . . . . . . . . . . 51406 8 46 3 3.457 . 71.50052976210 . . . . . . . . . . . 51406 8 47 1 7.886 . 22.87666906010 . . . . . . . . . . . 51406 8 47 2 123.229 . 75.26725314980 . . . . . . . . . . . 51406 8 47 3 3.648 . 79.55116384170 . . . . . . . . . . . 51406 8 48 1 7.644 . 19.98938093280 . . . . . . . . . . . 51406 8 48 2 126.533 . 72.01480336430 . . . . . . . . . . . 51406 8 48 3 4.100 . 257.44949068300 . . . . . . . . . . . 51406 8 49 1 7.645 . 80.93839141250 . . . . . . . . . . . 51406 8 49 2 126.533 . 111.12751215500 . . . . . . . . . . . 51406 8 49 3 2.552 . 426.43717357100 . . . . . . . . . . . 51406 8 50 1 7.643 . 20.25679907810 . . . . . . . . . . . 51406 8 50 2 126.533 . 95.50364823720 . . . . . . . . . . . 51406 8 50 3 2.818 . 415.36874130000 . . . . . . . . . . . 51406 8 51 1 7.885 . 41.54325836030 . . . . . . . . . . . 51406 8 51 2 126.808 . 48.10142275570 . . . . . . . . . . . 51406 8 51 3 3.864 . 526.00297607300 . . . . . . . . . . . 51406 8 52 1 7.882 . 26.50036053220 . . . . . . . . . . . 51406 8 52 2 126.799 . 67.01511515550 . . . . . . . . . . . 51406 8 52 3 2.106 . 77.23259324790 . . . . . . . . . . . 51406 8 53 1 7.881 . 26.86925207320 . . . . . . . . . . . 51406 8 53 2 126.744 . 64.99141814110 . . . . . . . . . . . 51406 8 53 3 1.933 . 84.50686430730 . . . . . . . . . . . 51406 8 54 1 7.879 . 26.76740238560 . . . . . . . . . . . 51406 8 54 2 126.753 . 60.02184853600 . . . . . . . . . . . 51406 8 54 3 1.730 . 88.95767837010 . . . . . . . . . . . 51406 8 55 1 7.880 . 35.98994177200 . . . . . . . . . . . 51406 8 55 2 126.942 . 54.89392264480 . . . . . . . . . . . 51406 8 55 3 1.548 . 84.47981682140 . . . . . . . . . . . 51406 8 56 1 7.490 . 15.46911117600 . . . . . . . . . . . 51406 8 56 2 125.019 . 91.69986267570 . . . . . . . . . . . 51406 8 56 3 4.096 . 264.52891966900 . . . . . . . . . . . 51406 8 57 1 7.493 . 22.51630680330 . . . . . . . . . . . 51406 8 57 2 124.879 . 70.65774102860 . . . . . . . . . . . 51406 8 57 3 2.743 . 90.72027286560 . . . . . . . . . . . 51406 8 58 1 7.954 . 29.19724493320 . . . . . . . . . . . 51406 8 58 2 122.494 . 40.18353656820 . . . . . . . . . . . 51406 8 58 3 4.086 . 254.80785289700 . . . . . . . . . . . 51406 8 60 1 7.946 . 15.12831610060 . . . . . . . . . . . 51406 8 60 2 122.642 . 32.49610442210 . . . . . . . . . . . 51406 8 60 3 1.156 . 97.01782915770 . . . . . . . . . . . 51406 8 61 1 7.953 . 11.78257894840 . . . . . . . . . . . 51406 8 61 2 122.284 . 40.04545103680 . . . . . . . . . . . 51406 8 61 3 0.609 . 68.53031511070 . . . . . . . . . . . 51406 8 63 1 7.947 . 13.73653761060 . . . . . . . . . . . 51406 8 63 2 122.172 . 33.98370466770 . . . . . . . . . . . 51406 8 63 3 0.380 . 98.53549364230 . . . . . . . . . . . 51406 8 65 1 7.536 . 22.52308005840 . . . . . . . . . . . 51406 8 65 2 127.510 . 60.31351019320 . . . . . . . . . . . 51406 8 65 3 1.363 . 88.74630727690 . . . . . . . . . . . 51406 8 66 1 7.535 . 23.51373133030 . . . . . . . . . . . 51406 8 66 2 127.467 . 60.32551450540 . . . . . . . . . . . 51406 8 66 3 1.202 . 85.94739336930 . . . . . . . . . . . 51406 8 67 1 7.575 . 49.90910640870 . . . . . . . . . . . 51406 8 67 2 126.830 . 91.65234860160 . . . . . . . . . . . 51406 8 67 3 4.113 . 276.89412862300 . . . . . . . . . . . 51406 8 68 1 7.567 . 55.01915108070 . . . . . . . . . . . 51406 8 68 2 126.830 . 65.58228907700 . . . . . . . . . . . 51406 8 68 3 2.552 . 335.42138187800 . . . . . . . . . . . 51406 8 69 1 7.572 . 38.28870929050 . . . . . . . . . . . 51406 8 69 2 126.830 . 77.46087946990 . . . . . . . . . . . 51406 8 69 3 2.791 . 349.33180368200 . . . . . . . . . . . 51406 8 70 1 7.810 . 16.66785189600 . . . . . . . . . . . 51406 8 70 2 119.871 . 7.66536433859 . . . . . . . . . . . 51406 8 70 3 3.940 . 28.57116090150 . . . . . . . . . . . 51406 8 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 7.770 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 8 1 2 1 . . 123.021 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 8 1 3 1 . . 3.693 . . 1 . 1 1 8 VAL HA . . . . . . . . . . 254 . 51406 8 2 1 1 . . 7.771 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 8 2 2 1 . . 123.021 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 8 2 3 1 . . 1.659 . . 1 . 1 1 8 VAL HB . . . . . . . . . . 255 . 51406 8 3 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 8 3 2 1 . . 122.947 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 8 3 3 1 . . 0.659 . . 1 . 1 1 8 VAL MG1 . . . . . . . . . . 256 . 51406 8 4 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 8 4 2 1 . . 122.946 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 8 4 3 1 . . 0.502 . . 1 . 1 1 8 VAL MG2 . . . . . . . . . . 257 . 51406 8 5 1 1 . . 8.379 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 8 5 2 1 . . 124.478 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 8 5 3 1 . . 4.253 . . 1 . 1 1 9 ASP HA . . . . . . . . . . 258 . 51406 8 6 1 1 . . 8.383 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 8 6 2 1 . . 124.555 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 8 6 3 1 . . 2.561 . . 1 . 1 1 9 ASP HB3 . . . . . . . . . . 260 . 51406 8 7 1 1 . . 8.384 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 8 7 2 1 . . 124.600 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 8 7 3 1 . . 2.406 . . 1 . 1 1 9 ASP HB2 . . . . . . . . . . 259 . 51406 8 8 1 1 . . 7.655 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 8 8 2 1 . . 120.886 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 8 8 3 1 . . 3.825 . . 1 . 1 1 30 THR HA . . . . . . . . . . 262 . 51406 8 9 1 1 . . 7.656 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 8 9 2 1 . . 120.897 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 8 9 3 1 . . 3.920 . . 1 . 1 1 30 THR HB . . . . . . . . . . 261 . 51406 8 10 1 1 . . 7.655 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 8 10 2 1 . . 120.886 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 8 10 3 1 . . 0.875 . . 1 . 1 1 30 THR MG . . . . . . . . . . 263 . 51406 8 11 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 8 11 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 8 11 3 1 . . 0.893 . . 1 . 1 1 31 THR MG . . . . . . . . . . 264 . 51406 8 12 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 8 12 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 8 12 3 1 . . 3.862 . . 1 . 1 1 31 THR HA . . . . . . . . . . 265 . 51406 8 13 1 1 . . 7.614 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 8 13 2 1 . . 121.197 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 8 13 3 1 . . 3.963 . . 1 . 1 1 31 THR HB . . . . . . . . . . 266 . 51406 8 14 1 1 . . 7.877 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 8 14 2 1 . . 128.805 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 8 14 3 3 . . 3.852 . . 1 . 1 1 32 LYS HA . . . . . . . . . . 267 . 51406 8 15 1 1 . . 7.878 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 8 15 2 1 . . 128.764 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 8 15 3 1 . . 1.471 . . 1 . 1 1 32 LYS HB2 . . . . . . . . . . 268 . 51406 8 16 1 1 . . 7.880 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 8 16 2 1 . . 128.839 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 8 16 3 1 . . 1.230 . . 1 . 1 1 32 LYS HD2 . . . . . . . . . . 269 . 51406 8 17 1 1 . . 7.877 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 8 17 2 1 . . 128.814 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 8 17 3 1 . . 1.013 . . 1 . 1 1 32 LYS HG2 . . . . . . . . . . 270 . 51406 8 18 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 8 18 2 1 . . 128.709 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 8 18 3 1 . . 3.898 . . 1 . 1 1 44 LEU HA . . . . . . . . . . 271 . 51406 8 19 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 8 19 2 1 . . 128.701 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 8 19 3 1 . . 1.362 . . 1 . 1 1 44 LEU HB3 . . . . . . . . . . 273 . 51406 8 20 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 8 20 2 1 . . 128.682 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 8 20 3 1 . . 1.214 . . 1 . 1 1 44 LEU HB2 . . . . . . . . . . 272 . 51406 8 21 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 8 21 2 1 . . 128.753 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 8 21 3 1 . . 0.636 . . 1 . 1 1 44 LEU MD1 . . . . . . . . . . 274 . 51406 8 22 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 8 22 2 1 . . 128.625 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 8 22 3 1 . . 0.515 . . 1 . 1 1 44 LEU MD2 . . . . . . . . . . 275 . 51406 8 24 1 1 . . 7.579 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 8 24 2 1 . . 115.268 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 8 24 3 1 . . 3.349 . . 1 . 1 1 38 GLY HA3 . . . . . . . . . . 277 . 51406 8 25 1 1 . . 7.576 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 8 25 2 1 . . 115.016 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 8 25 3 1 . . 3.524 . . 1 . 1 1 38 GLY HA2 . . . . . . . . . . 276 . 51406 8 26 1 1 . . 7.737 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 8 26 2 1 . . 127.920 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 8 26 3 1 . . 3.842 . . 1 . 1 1 18 LYS HA . . . . . . . . . . 278 . 51406 8 27 1 1 . . 7.737 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 8 27 2 1 . . 127.748 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 8 27 3 1 . . 2.787 . . 1 . 1 1 18 LYS HE2 . . . . . . . . . . 279 . 51406 8 28 1 1 . . 7.737 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 8 28 2 1 . . 127.890 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 8 28 3 1 . . 1.479 . . 1 . 1 1 18 LYS HB2 . . . . . . . . . . 280 . 51406 8 29 1 1 . . 7.740 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 8 29 2 1 . . 127.938 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 8 29 3 1 . . 1.252 . . 1 . 1 1 18 LYS HD2 . . . . . . . . . . 281 . 51406 8 30 1 1 . . 7.739 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 8 30 2 1 . . 127.811 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 8 30 3 1 . . 1.039 . . 1 . 1 1 18 LYS HG2 . . . . . . . . . . 282 . 51406 8 31 1 1 . . 7.842 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 8 31 2 1 . . 127.498 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 8 31 3 1 . . 1.518 . . 1 . 1 1 35 ARG HB2 . . . . . . . . . . 285 . 51406 8 32 1 1 . . 7.843 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 8 32 2 1 . . 127.473 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 8 32 3 1 . . 1.381 . . 1 . 1 1 35 ARG HB3 . . . . . . . . . . 286 . 51406 8 33 1 1 . . 7.843 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 8 33 2 1 . . 127.427 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 8 33 3 1 . . 1.194 . . 1 . 1 1 35 ARG HG2 . . . . . . . . . . 287 . 51406 8 34 1 1 . . 7.846 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 8 34 2 1 . . 127.509 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 8 34 3 1 . . 2.779 . . 1 . 1 1 35 ARG HD2 . . . . . . . . . . 284 . 51406 8 35 1 1 . . 7.844 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 8 35 2 1 . . 127.483 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 8 35 3 1 . . 3.840 . . 1 . 1 1 35 ARG HA . . . . . . . . . . 283 . 51406 8 36 1 1 . . 7.443 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 8 36 2 1 . . 129.106 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 8 36 3 1 . . 3.772 . . 1 . 1 1 26 ALA HA . . . . . . . . . . 288 . 51406 8 37 1 1 . . 7.442 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 8 37 2 1 . . 129.106 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 8 37 3 1 . . 1.042 . . 1 . 1 1 26 ALA MB . . . . . . . . . . 289 . 51406 8 38 1 1 . . 7.950 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 8 38 2 1 . . 123.644 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 8 38 3 1 . . 4.111 . . 1 . . . . . . . . . . . . . . . . 290 . 51406 8 39 1 1 . . 7.951 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 8 39 2 1 . . 123.644 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 8 39 3 1 . . 2.403 . . 1 . . . . . . . . . . . . . . . . 291 . 51406 8 40 1 1 . . 7.814 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 8 40 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 8 40 3 1 . . 4.152 . . 1 . 1 1 25 ASN HA . . . . . . . . . . 292 . 51406 8 41 1 1 . . 7.813 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 8 41 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 8 41 3 1 . . 2.409 . . 1 . 1 1 25 ASN HB2 . . . . . . . . . . 293 . 51406 8 42 1 1 . . 7.594 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 8 42 2 1 . . 126.290 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 8 42 3 1 . . 4.098 . . 1 . 1 1 22 TYR HA . . . . . . . . . . 302 . 51406 8 43 1 1 . . 7.595 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 8 43 2 1 . . 126.290 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 8 43 3 1 . . 2.562 . . 1 . 1 1 22 TYR HB2 . . . . . . . . . . 303 . 51406 8 44 1 1 . . 7.592 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 8 44 2 1 . . 126.290 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 8 44 3 1 . . 2.790 . . 1 . 1 1 22 TYR HB3 . . . . . . . . . . 304 . 51406 8 46 1 1 . . 7.883 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 8 46 2 1 . . 123.315 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 8 46 3 1 . . 3.457 . . 1 . . . . . . . . . . . . . . . . 306 . 51406 8 47 1 1 . . 7.886 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 8 47 2 1 . . 123.229 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 8 47 3 1 . . 3.648 . . 1 . . . . . . . . . . . . . . . . 307 . 51406 8 48 1 1 . . 7.644 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 8 48 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 8 48 3 1 . . 4.100 . . 1 . . . . . . . . . . . . . . . . 311 . 51406 8 49 1 1 . . 7.645 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 8 49 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 8 49 3 1 . . 2.552 . . 1 . . . . . . . . . . . . . . . . 312 . 51406 8 50 1 1 . . 7.643 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 8 50 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 8 50 3 2 . . 2.818 . . 1 . . . . . . . . . . . . . . . . 313 . 51406 8 51 1 1 . . 7.885 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 8 51 2 1 . . 126.808 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 8 51 3 1 . . 3.864 . . 1 . 1 1 20 GLN HA . . . . . . . . . . 316 . 51406 8 52 1 1 . . 7.882 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 8 52 2 1 . . 126.799 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 8 52 3 1 . . 2.106 . . 1 . 1 1 20 GLN HG3 . . . . . . . . . . 320 . 51406 8 53 1 1 . . 7.881 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 8 53 2 1 . . 126.744 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 8 53 3 1 . . 1.933 . . 1 . 1 1 20 GLN HG2 . . . . . . . . . . 319 . 51406 8 54 1 1 . . 7.879 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 8 54 2 1 . . 126.753 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 8 54 3 1 . . 1.730 . . 1 . 1 1 20 GLN HB3 . . . . . . . . . . 318 . 51406 8 55 1 1 . . 7.880 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 8 55 2 1 . . 126.942 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 8 55 3 1 . . 1.548 . . 1 . 1 1 20 GLN HB2 . . . . . . . . . . 317 . 51406 8 56 1 1 . . 7.490 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 8 56 2 1 . . 125.019 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 8 56 3 1 . . 4.096 . . 1 . 1 1 28 HIS HA . . . . . . . . . . 337 . 51406 8 57 1 1 . . 7.493 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 8 57 2 1 . . 124.879 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 8 57 3 1 . . 2.743 . . 1 . 1 1 28 HIS HB2 . . . . . . . . . . 338 . 51406 8 58 1 1 . . 7.954 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 8 58 2 1 . . 122.494 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 8 58 3 1 . . 4.086 . . 1 . 1 1 24 LEU HA . . . . . . . . . . 344 . 51406 8 60 1 1 . . 7.946 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 8 60 2 1 . . 122.642 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 8 60 3 1 . . 1.156 . . 1 . 1 1 24 LEU HG . . . . . . . . . . 343 . 51406 8 61 1 1 . . 7.953 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 8 61 2 1 . . 122.284 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 8 61 3 1 . . 0.609 . . 1 . 1 1 24 LEU MD1 . . . . . . . . . . 341 . 51406 8 63 1 1 . . 7.947 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 8 63 2 1 . . 122.172 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 8 63 3 1 . . 0.380 . . 1 . 1 1 24 LEU MD2 . . . . . . . . . . 342 . 51406 8 65 1 1 . . 7.536 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 8 65 2 1 . . 127.510 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 8 65 3 1 . . 1.363 . . 1 . . . . . . . . . . . . . . . . 348 . 51406 8 66 1 1 . . 7.535 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 8 66 2 1 . . 127.467 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 8 66 3 1 . . 1.202 . . 1 . . . . . . . . . . . . . . . . 347 . 51406 8 67 1 1 . . 7.575 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 8 67 2 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 8 67 3 1 . . 4.113 . . 1 . 1 1 6 TYR HA . . . . . . . . . . 349 . 51406 8 68 1 1 . . 7.567 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 8 68 2 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 8 68 3 1 . . 2.552 . . 1 . 1 1 6 TYR HB2 . . . . . . . . . . 350 . 51406 8 69 1 1 . . 7.572 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 8 69 2 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 8 69 3 1 . . 2.791 . . 1 . 1 1 6 TYR HB3 . . . . . . . . . . 351 . 51406 8 70 1 1 . . 7.810 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 8 70 2 1 . . 119.871 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 8 70 3 1 . . 3.940 . . 1 . 1 1 11 ASN HA . . . . . . . . . . 352 . 51406 8 stop_ save_ save_spectral_peak_list_9 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_9 _Spectral_peak_list.Entry_ID 51406 _Spectral_peak_list.ID 9 _Spectral_peak_list.Name 'peak list 1 2 3 4 5 6 7 8 9' _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name 'HNHA (H{[N]+[HA]})' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . aliased 4208.75420875 Hz . . . . . . 51406 9 2 . . H 1 1H . aliased 8403.36134454 Hz . . . . . . 51406 9 3 . . N 15 15N . aliased 2411.96333816 Hz . . . . . . 51406 9 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51406 9 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Type _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . . 51406 9 2 1.0 . . . 51406 9 3 1.0 . . . 51406 9 4 1.0 . . . 51406 9 5 1.0 . . . 51406 9 6 1.0 . . . 51406 9 7 1.0 . . . 51406 9 8 1.0 . . . 51406 9 9 1.0 . . . 51406 9 10 1.0 . . . 51406 9 11 1.0 . . . 51406 9 12 1.0 . . . 51406 9 13 1.0 . . . 51406 9 14 1.0 . . . 51406 9 15 1.0 . . . 51406 9 16 1.0 . . . 51406 9 17 1.0 . . . 51406 9 18 1.0 . . . 51406 9 19 1.0 . . . 51406 9 20 1.0 . . . 51406 9 21 1.0 . . . 51406 9 22 1.0 . . . 51406 9 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 -99608.812500 . height 51406 9 1 -2666587.218750 . volume 51406 9 2 -16396.343750 . height 51406 9 2 -540752.703125 . volume 51406 9 3 -94418.125000 . height 51406 9 3 -2926799.468750 . volume 51406 9 4 -166055.187500 . height 51406 9 4 -5468858.656250 . volume 51406 9 5 -84124.375000 . height 51406 9 5 -2572911.609380 . volume 51406 9 6 -849744.875000 . height 51406 9 6 -23449895.312500 . volume 51406 9 7 -23723.781250 . height 51406 9 7 -493203.484375 . volume 51406 9 8 -168984.406250 . height 51406 9 8 -5400627.625000 . volume 51406 9 9 -54514.906250 . height 51406 9 9 -1645283.875000 . volume 51406 9 10 -108058.421875 . height 51406 9 10 -3572658.859380 . volume 51406 9 11 -70436.390625 . height 51406 9 11 -2181030.515620 . volume 51406 9 12 -194096.093750 . height 51406 9 12 -4978045.390620 . volume 51406 9 13 -205464.750000 . height 51406 9 13 -5814628.156250 . volume 51406 9 14 -61335.281250 . height 51406 9 14 -1894256.921880 . volume 51406 9 15 -142738.812500 . height 51406 9 15 -4399094.265620 . volume 51406 9 16 -57247.062500 . height 51406 9 16 -1725882.968750 . volume 51406 9 17 -85875.140625 . height 51406 9 17 -2370788.671880 . volume 51406 9 18 -21902.890625 . height 51406 9 18 -592148.937500 . volume 51406 9 19 -146502.687500 . height 51406 9 19 -4033301.843750 . volume 51406 9 20 -166143.968750 . height 51406 9 20 -4782195.953120 . volume 51406 9 21 -41359.187500 . height 51406 9 21 -972917.531250 . volume 51406 9 22 -11507.156250 . height 51406 9 22 -264004.703125 . volume 51406 9 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 7.770 . 36.7963354194 . . . . . . . . . . . 51406 9 1 2 3.686 . 260.1592480640 . . . . . . . . . . . 51406 9 1 3 123.021 . 41.0311703974 . . . . . . . . . . . 51406 9 2 1 8.379 . 41.6290529248 . . . . . . . . . . . 51406 9 2 2 4.273 . 304.5561934720 . . . . . . . . . . . 51406 9 2 3 124.478 . 48.3794627532 . . . . . . . . . . . 51406 9 3 1 7.653 . 58.2123645628 . . . . . . . . . . . 51406 9 3 2 3.830 . 270.3611590280 . . . . . . . . . . . 51406 9 3 3 120.886 . 43.3607976677 . . . . . . . . . . . 51406 9 4 1 7.614 . 30.3301345620 . . . . . . . . . . . 51406 9 4 2 3.844 . 267.1915943880 . . . . . . . . . . . 51406 9 4 3 121.189 . 45.8960077697 . . . . . . . . . . . 51406 9 5 1 7.878 . 27.2628534523 . . . . . . . . . . . 51406 9 5 2 3.841 . 275.4205415230 . . . . . . . . . . . 51406 9 5 3 128.805 . 42.8685130443 . . . . . . . . . . . 51406 9 6 1 7.655 . 23.6747842847 . . . . . . . . . . . 51406 9 6 2 3.879 . 243.4789633550 . . . . . . . . . . . 51406 9 6 3 128.709 . 40.3401676837 . . . . . . . . . . . 51406 9 7 1 7.571 . 22.5105369934 . . . . . . . . . . . 51406 9 7 2 3.351 . 213.5203666050 . . . . . . . . . . . 51406 9 7 3 115.001 . 38.0753780757 . . . . . . . . . . . 51406 9 8 1 7.737 . 25.8964119536 . . . . . . . . . . . 51406 9 8 2 3.842 . 278.7228391950 . . . . . . . . . . . 51406 9 8 3 127.920 . 41.0813800505 . . . . . . . . . . . 51406 9 9 1 7.844 . 26.7965022964 . . . . . . . . . . . 51406 9 9 2 3.840 . 267.8717885700 . . . . . . . . . . . 51406 9 9 3 127.483 . 44.7715199977 . . . . . . . . . . . 51406 9 10 1 7.441 . 24.0247357975 . . . . . . . . . . . 51406 9 10 2 3.767 . 276.0015615900 . . . . . . . . . . . 51406 9 10 3 129.106 . 39.4351000494 . . . . . . . . . . . 51406 9 11 1 7.950 . 28.1537873576 . . . . . . . . . . . 51406 9 11 2 4.111 . 274.8856023580 . . . . . . . . . . . 51406 9 11 3 123.644 . 48.4158351004 . . . . . . . . . . . 51406 9 12 1 7.814 . 27.1450740721 . . . . . . . . . . . 51406 9 12 2 4.152 . 259.9333514690 . . . . . . . . . . . 51406 9 12 3 124.291 . 36.8097497827 . . . . . . . . . . . 51406 9 13 1 7.594 . 25.3357369490 . . . . . . . . . . . 51406 9 13 2 4.098 . 255.0362538890 . . . . . . . . . . . 51406 9 13 3 126.290 . 78.3093758844 . . . . . . . . . . . 51406 9 14 1 7.880 . 31.1675095799 . . . . . . . . . . . 51406 9 14 2 3.935 . 256.4948146080 . . . . . . . . . . . 51406 9 14 3 123.472 . 63.4192845353 . . . . . . . . . . . 51406 9 15 1 7.644 . 95.7660502456 . . . . . . . . . . . 51406 9 15 2 4.100 . 252.0860744120 . . . . . . . . . . . 51406 9 15 3 126.533 . 76.4165761904 . . . . . . . . . . . 51406 9 16 1 7.885 . 33.5005196658 . . . . . . . . . . . 51406 9 16 2 3.864 . 284.1648935270 . . . . . . . . . . . 51406 9 16 3 126.808 . 44.4431984649 . . . . . . . . . . . 51406 9 19 1 7.535 . 27.9319005382 . . . . . . . . . . . 51406 9 19 2 3.855 . 242.4436457020 . . . . . . . . . . . 51406 9 19 3 127.482 . 41.3893589465 . . . . . . . . . . . 51406 9 20 1 7.575 . 88.7993810956 . . . . . . . . . . . 51406 9 20 2 4.113 . 249.1534257140 . . . . . . . . . . . 51406 9 20 3 126.830 . 73.8397463473 . . . . . . . . . . . 51406 9 21 1 7.810 . 37.3128588352 . . . . . . . . . . . 51406 9 21 2 3.940 . 240.2052158070 . . . . . . . . . . . 51406 9 21 3 119.871 . 38.6598515039 . . . . . . . . . . . 51406 9 22 1 8.274 . 39.4998676448 . . . . . . . . . . . 51406 9 22 2 4.223 . 253.2330881650 . . . . . . . . . . . 51406 9 22 3 126.809 . 37.4807692701 . . . . . . . . . . . 51406 9 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 7.770 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 9 1 2 1 . . 3.686 . . 1 . 1 1 8 VAL HA . . . . . . . . . . 254 . 51406 9 1 3 1 . . 123.021 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 9 2 1 1 . . 8.379 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 9 2 2 1 . . 4.273 . . 1 . 1 1 9 ASP HA . . . . . . . . . . 258 . 51406 9 2 3 1 . . 124.478 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 9 3 1 1 . . 7.653 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 9 3 2 1 . . 3.830 . . 1 . 1 1 30 THR HA . . . . . . . . . . 262 . 51406 9 3 3 1 . . 120.886 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 9 4 1 1 . . 7.614 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 9 4 2 1 . . 3.844 . . 1 . 1 1 31 THR HA . . . . . . . . . . 265 . 51406 9 4 3 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 9 5 1 1 . . 7.878 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 9 5 2 1 . . 3.841 . . 1 . 1 1 32 LYS HA . . . . . . . . . . 267 . 51406 9 5 3 1 . . 128.805 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 9 6 1 1 . . 7.655 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 9 6 2 1 . . 3.879 . . 1 . 1 1 44 LEU HA . . . . . . . . . . 271 . 51406 9 6 3 1 . . 128.709 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 9 7 1 1 . . 7.571 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 9 7 2 1 . . 3.351 . . 1 . 1 1 38 GLY HA3 . . . . . . . . . . 277 . 51406 9 7 3 1 . . 115.001 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 9 8 1 1 . . 7.737 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 9 8 2 1 . . 3.842 . . 1 . 1 1 18 LYS HA . . . . . . . . . . 278 . 51406 9 8 3 1 . . 127.920 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 9 9 1 1 . . 7.844 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 9 9 2 1 . . 3.840 . . 1 . 1 1 35 ARG HA . . . . . . . . . . 283 . 51406 9 9 3 1 . . 127.483 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 9 10 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 9 10 2 1 . . 3.767 . . 1 . 1 1 26 ALA HA . . . . . . . . . . 288 . 51406 9 10 3 1 . . 129.106 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 9 11 1 1 . . 7.950 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 9 11 2 1 . . 4.111 . . 1 . . . . . . . . . . . . . . . . 290 . 51406 9 11 3 1 . . 123.644 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 9 12 1 1 . . 7.814 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 9 12 2 1 . . 4.152 . . 1 . 1 1 25 ASN HA . . . . . . . . . . 292 . 51406 9 12 3 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 9 13 1 1 . . 7.594 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 9 13 2 1 . . 4.098 . . 1 . 1 1 22 TYR HA . . . . . . . . . . 302 . 51406 9 13 3 1 . . 126.290 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 9 14 1 1 . . 7.880 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 9 14 2 1 . . 3.935 . . 1 . . . . . . . . . . . . . . . . 305 . 51406 9 14 3 1 . . 123.472 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 9 15 1 1 . . 7.644 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 9 15 2 1 . . 4.100 . . 1 . . . . . . . . . . . . . . . . 311 . 51406 9 15 3 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 9 16 1 1 . . 7.885 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 9 16 2 1 . . 3.864 . . 1 . 1 1 20 GLN HA . . . . . . . . . . 316 . 51406 9 16 3 1 . . 126.808 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 9 19 1 1 . . 7.535 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 9 19 2 1 . . 3.855 . . 1 . . . . . . . . . . . . . . . . 346 . 51406 9 19 3 1 . . 127.482 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 9 20 1 1 . . 7.575 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 9 20 2 1 . . 4.113 . . 1 . 1 1 6 TYR HA . . . . . . . . . . 349 . 51406 9 20 3 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 9 21 1 1 . . 7.810 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 9 21 2 1 . . 3.940 . . 1 . 1 1 11 ASN HA . . . . . . . . . . 352 . 51406 9 21 3 1 . . 119.871 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 9 22 1 1 . . 8.274 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 9 22 2 1 . . 4.223 . . 1 . 1 1 12 ASP HA . . . . . . . . . . 354 . 51406 9 22 3 1 . . 126.809 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 9 stop_ save_ save_spectral_peak_list_10 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_10 _Spectral_peak_list.Entry_ID 51406 _Spectral_peak_list.ID 10 _Spectral_peak_list.Name 'peak list 1 2 3 4 5 6 7 8 9 10' _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D HNHB' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . aliased 4208.75420875 Hz . . . . . . 51406 10 2 . . H 1 1H . aliased 8403.36134454 Hz . . . . . . 51406 10 3 . . N 15 15N . aliased 2411.96333816 Hz . . . . . . 51406 10 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51406 10 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Type _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . . 51406 10 2 1.0 . . . 51406 10 3 1.0 . . . 51406 10 4 1.0 . . . 51406 10 5 1.0 . . . 51406 10 6 1.0 . . . 51406 10 7 1.0 . . . 51406 10 8 1.0 . . . 51406 10 9 1.0 . . . 51406 10 10 1.0 . . . 51406 10 11 1.0 . . . 51406 10 12 1.0 . . . 51406 10 13 1.0 . . . 51406 10 14 1.0 . . . 51406 10 15 1.0 . . . 51406 10 16 1.0 . . . 51406 10 17 1.0 . . . 51406 10 18 1.0 . . . 51406 10 19 1.0 . . . 51406 10 20 1.0 . . . 51406 10 21 1.0 . . . 51406 10 22 1.0 . . . 51406 10 23 1.0 . . . 51406 10 24 1.0 . . . 51406 10 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 132777.59375 . height 51406 10 1 2649980.68750 . volume 51406 10 2 51222.25000 . height 51406 10 2 1146044.09375 . volume 51406 10 3 203720.90625 . height 51406 10 3 4205343.68750 . volume 51406 10 4 376040.71875 . height 51406 10 4 7590023.40625 . volume 51406 10 5 267117.03125 . height 51406 10 5 5844370.50000 . volume 51406 10 6 1990050.75000 . height 51406 10 6 42038735.56250 . volume 51406 10 7 582796.81250 . height 51406 10 7 12066436.75000 . volume 51406 10 8 132717.00000 . height 51406 10 8 2816304.40625 . volume 51406 10 9 1034232.50000 . height 51406 10 9 20211304.46880 . volume 51406 10 10 176502.00000 . height 51406 10 10 3781305.75000 . volume 51406 10 11 536625.18750 . height 51406 10 11 11011554.03120 . volume 51406 10 12 301530.75000 . height 51406 10 12 6052831.21875 . volume 51406 10 13 186211.75000 . height 51406 10 13 3896956.21875 . volume 51406 10 14 275896.18750 . height 51406 10 14 5775827.50000 . volume 51406 10 15 145690.75000 . height 51406 10 15 3099701.34375 . volume 51406 10 16 249082.09375 . height 51406 10 16 4945672.59375 . volume 51406 10 17 110255.59375 . height 51406 10 17 2242455.90625 . volume 51406 10 18 84657.25000 . height 51406 10 18 1805554.96875 . volume 51406 10 19 147326.43750 . height 51406 10 19 3369308.03125 . volume 51406 10 20 39481.96875 . height 51406 10 20 808123.43750 . volume 51406 10 21 304223.43750 . height 51406 10 21 6157707.59375 . volume 51406 10 22 153753.40625 . height 51406 10 22 3494719.31250 . volume 51406 10 23 109820.40625 . height 51406 10 23 2606835.68750 . volume 51406 10 24 15598.90625 . height 51406 10 24 348576.28125 . volume 51406 10 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 7.781 . 30.4733763640 . . . . . . . . . . . 51406 10 1 2 1.645 . 86.8214278662 . . . . . . . . . . . 51406 10 1 3 122.983 . 40.6882927375 . . . . . . . . . . . 51406 10 2 1 8.387 . 62.4464015768 . . . . . . . . . . . 51406 10 2 2 2.425 . 179.9975122720 . . . . . . . . . . . 51406 10 2 3 124.439 . 51.9855725150 . . . . . . . . . . . 51406 10 3 1 7.659 . 55.4463678739 . . . . . . . . . . . 51406 10 3 2 3.930 . 98.2795442854 . . . . . . . . . . . 51406 10 3 3 120.978 . 43.2532620326 . . . . . . . . . . . 51406 10 4 1 7.619 . 25.9691617304 . . . . . . . . . . . 51406 10 4 2 3.934 . 96.2880479188 . . . . . . . . . . . 51406 10 4 3 121.207 . 38.8033281934 . . . . . . . . . . . 51406 10 5 1 7.885 . 22.7402005131 . . . . . . . . . . . 51406 10 5 2 1.464 . 122.3447943940 . . . . . . . . . . . 51406 10 5 3 128.829 . 40.2858966914 . . . . . . . . . . . 51406 10 6 1 7.659 . 22.7257759884 . . . . . . . . . . . 51406 10 6 2 1.239 . 101.9339601530 . . . . . . . . . . . 51406 10 6 3 128.717 . 37.9105883408 . . . . . . . . . . . 51406 10 7 1 7.744 . 23.8219144368 . . . . . . . . . . . 51406 10 7 2 1.490 . 131.3015192500 . . . . . . . . . . . 51406 10 7 3 127.927 . 37.8592285740 . . . . . . . . . . . 51406 10 8 1 7.851 . 25.8057255938 . . . . . . . . . . . 51406 10 8 2 1.499 . 171.3914029740 . . . . . . . . . . . 51406 10 8 3 127.529 . 47.6538128630 . . . . . . . . . . . 51406 10 9 1 7.446 . 23.2234848067 . . . . . . . . . . . 51406 10 9 2 1.013 . 91.0273119181 . . . . . . . . . . . 51406 10 9 3 129.111 . 37.6175609235 . . . . . . . . . . . 51406 10 10 1 7.951 . 25.5553660168 . . . . . . . . . . . 51406 10 10 2 2.403 . 104.4403605100 . . . . . . . . . . . 51406 10 10 3 123.644 . 47.9557177207 . . . . . . . . . . . 51406 10 11 1 7.821 . 24.7044444887 . . . . . . . . . . . 51406 10 11 2 2.426 . 101.3103653400 . . . . . . . . . . . 51406 10 11 3 124.298 . 38.5556224459 . . . . . . . . . . . 51406 10 12 1 7.598 . 21.9471025146 . . . . . . . . . . . 51406 10 12 2 2.780 . 88.2379147185 . . . . . . . . . . . 51406 10 12 3 126.318 . 49.8737480349 . . . . . . . . . . . 51406 10 13 1 7.596 . 21.7060248057 . . . . . . . . . . . 51406 10 13 2 2.526 . 104.7208529560 . . . . . . . . . . . 51406 10 13 3 126.343 . 64.5206622093 . . . . . . . . . . . 51406 10 14 1 7.890 . 25.1186164943 . . . . . . . . . . . 51406 10 14 2 3.540 . 93.2116468414 . . . . . . . . . . . 51406 10 14 3 123.336 . 50.9269646959 . . . . . . . . . . . 51406 10 15 1 7.649 . 26.7365464458 . . . . . . . . . . . 51406 10 15 2 2.526 . 100.5460234250 . . . . . . . . . . . 51406 10 15 3 126.657 . 54.9982235849 . . . . . . . . . . . 51406 10 16 1 7.649 . 26.0414097847 . . . . . . . . . . . 51406 10 16 2 2.794 . 88.6571507494 . . . . . . . . . . . 51406 10 16 3 126.568 . 52.6222323543 . . . . . . . . . . . 51406 10 17 1 7.890 . 29.3007252192 . . . . . . . . . . . 51406 10 17 2 1.807 . 101.1240382150 . . . . . . . . . . . 51406 10 17 3 126.781 . 42.3928331880 . . . . . . . . . . . 51406 10 18 1 7.889 . 26.0598480902 . . . . . . . . . . . 51406 10 18 2 1.598 . 115.0630101440 . . . . . . . . . . . 51406 10 18 3 126.795 . 42.8981644142 . . . . . . . . . . . 51406 10 19 1 7.497 . 25.3487817366 . . . . . . . . . . . 51406 10 19 2 2.752 . 158.6234870080 . . . . . . . . . . . 51406 10 19 3 124.884 . 54.9172843302 . . . . . . . . . . . 51406 10 20 1 7.972 . 43.9016054375 . . . . . . . . . . . 51406 10 20 2 1.308 . 87.3718942915 . . . . . . . . . . . 51406 10 20 3 122.580 . 47.5770427706 . . . . . . . . . . . 51406 10 21 1 7.541 . 25.6447980701 . . . . . . . . . . . 51406 10 21 2 1.243 . 94.5229490264 . . . . . . . . . . . 51406 10 21 3 127.497 . 43.4980206138 . . . . . . . . . . . 51406 10 22 1 7.567 . 75.1911590396 . . . . . . . . . . . 51406 10 22 2 2.552 . 235.9968273580 . . . . . . . . . . . 51406 10 22 3 126.830 . 36.6958166399 . . . . . . . . . . . 51406 10 23 1 7.572 . 82.8471950409 . . . . . . . . . . . 51406 10 23 2 2.791 . 270.8094460620 . . . . . . . . . . . 51406 10 23 3 126.830 . 41.9917310199 . . . . . . . . . . . 51406 10 24 1 8.271 . 37.8894635323 . . . . . . . . . . . 51406 10 24 2 2.280 . 128.5582029520 . . . . . . . . . . . 51406 10 24 3 126.767 . 45.1653980139 . . . . . . . . . . . 51406 10 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 7.781 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 10 1 2 1 . . 1.645 . . 1 . 1 1 8 VAL HB . . . . . . . . . . 255 . 51406 10 1 3 1 . . 122.983 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 10 2 1 1 . . 8.387 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 10 2 2 1 . . 2.425 . . 1 . 1 1 9 ASP HB2 . . . . . . . . . . 259 . 51406 10 2 3 1 . . 124.439 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 10 3 1 1 . . 7.659 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 10 3 2 1 . . 3.930 . . 1 . 1 1 30 THR HB . . . . . . . . . . 261 . 51406 10 3 3 1 . . 120.978 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 10 4 1 1 . . 7.619 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 10 4 2 1 . . 3.934 . . 1 . 1 1 31 THR HB . . . . . . . . . . 266 . 51406 10 4 3 1 . . 121.207 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 10 5 1 1 . . 7.885 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 10 5 2 1 . . 1.464 . . 1 . 1 1 32 LYS HB2 . . . . . . . . . . 268 . 51406 10 5 3 1 . . 128.829 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 10 6 1 1 . . 7.659 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 10 6 2 1 . . 1.239 . . 1 . 1 1 44 LEU HB2 . . . . . . . . . . 272 . 51406 10 6 3 1 . . 128.717 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 10 7 1 1 . . 7.744 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 10 7 2 1 . . 1.490 . . 1 . 1 1 18 LYS HB2 . . . . . . . . . . 280 . 51406 10 7 3 1 . . 127.927 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 10 8 1 1 . . 7.851 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 10 8 2 1 . . 1.499 . . 1 . 1 1 35 ARG HB2 . . . . . . . . . . 285 . 51406 10 8 3 1 . . 127.529 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 10 9 1 1 . . 7.446 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 10 9 2 1 . . 1.013 . . 1 . 1 1 26 ALA MB . . . . . . . . . . 289 . 51406 10 9 3 1 . . 129.111 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 10 10 1 1 . . 7.951 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 10 10 2 1 . . 2.403 . . 1 . . . . . . . . . . . . . . . . 291 . 51406 10 10 3 1 . . 123.644 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 10 11 1 1 . . 7.821 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 10 11 2 1 . . 2.426 . . 1 . 1 1 25 ASN HB2 . . . . . . . . . . 293 . 51406 10 11 3 1 . . 124.298 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 10 12 1 1 . . 7.598 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 10 12 2 1 . . 2.780 . . 1 . 1 1 22 TYR HB3 . . . . . . . . . . 304 . 51406 10 12 3 1 . . 126.318 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 10 13 1 1 . . 7.596 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 10 13 2 1 . . 2.526 . . 1 . 1 1 22 TYR HB2 . . . . . . . . . . 303 . 51406 10 13 3 1 . . 126.343 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 10 14 1 1 . . 7.890 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 10 14 2 1 . . 3.540 . . 1 . . . . . . . . . . . . . . . . 306 . 51406 10 14 3 1 . . 123.336 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 10 15 1 1 . . 7.649 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 10 15 2 1 . . 2.526 . . 1 . . . . . . . . . . . . . . . . 312 . 51406 10 15 3 1 . . 126.657 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 10 16 1 1 . . 7.649 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 10 16 2 1 . . 2.794 . . 1 . . . . . . . . . . . . . . . . 313 . 51406 10 16 3 1 . . 126.568 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 10 17 1 1 . . 7.890 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 10 17 2 1 . . 1.807 . . 1 . 1 1 20 GLN HB3 . . . . . . . . . . 318 . 51406 10 17 3 1 . . 126.781 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 10 18 1 1 . . 7.889 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 10 18 2 1 . . 1.598 . . 1 . 1 1 20 GLN HB2 . . . . . . . . . . 317 . 51406 10 18 3 1 . . 126.795 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 10 19 1 1 . . 7.497 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 10 19 2 1 . . 2.752 . . 1 . 1 1 28 HIS HB2 . . . . . . . . . . 338 . 51406 10 19 3 1 . . 124.884 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 10 20 1 1 . . 7.972 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 10 20 2 1 . . 1.308 . . 1 . 1 1 24 LEU HB2 . . . . . . . . . . 340 . 51406 10 20 3 1 . . 122.580 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 10 21 1 1 . . 7.541 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 10 21 2 1 . . 1.243 . . 1 . . . . . . . . . . . . . . . . 347 . 51406 10 21 3 1 . . 127.497 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 10 22 1 1 . . 7.567 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 10 22 2 1 . . 2.552 . . 1 . 1 1 6 TYR HB2 . . . . . . . . . . 350 . 51406 10 22 3 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 10 23 1 1 . . 7.572 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 10 23 2 1 . . 2.791 . . 1 . 1 1 6 TYR HB3 . . . . . . . . . . 351 . 51406 10 23 3 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 10 24 1 1 . . 8.271 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 10 24 2 1 . . 2.280 . . 1 . 1 1 12 ASP HB2 . . . . . . . . . . 353 . 51406 10 24 3 1 . . 126.767 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 10 stop_ save_