data_27674 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27674 _Entry.Title ; Chemical shifts for C-tail of the apelin receptor in LPPG micelles. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-02 _Entry.Accession_date 2018-11-02 _Entry.Last_release_date 2018-11-02 _Entry.Original_release_date 2018-11-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Jan Rainey . . . . 27674 2 Aditya Pandey . . . . 27674 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27674 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . Dal . 27674 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27674 spectral_peak_list 7 27674 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 146 27674 '15N chemical shifts' 45 27674 '1H chemical shifts' 45 27674 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-08-27 2018-11-02 update BMRB 'update entry citation' 27674 1 . . 2018-11-09 2018-11-02 original author 'original release' 27674 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27674 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31394100 _Citation.Full_citation . _Citation.Title ; Structure, amphipathy, and topology of the membrane-proximal helix 8 influence apelin receptor plasma membrane localization ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Biomembr.' _Citation.Journal_name_full 'Biochimica et biophysica acta. Biomembranes' _Citation.Journal_volume 1861 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-2642 _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 183036 _Citation.Page_last 183036 _Citation.Year 2019 _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 Aditya Pandey A. . . . 27674 1 2 Danielle LeBlanc D. M. . . 27674 1 3 Hirendrasinh Parmar H. B. . . 27674 1 4 'Tran Thanh Tam' Pham . . . . 27674 1 5 Muzaddid Sarker M. . . . 27674 1 6 Lingling Xu L. . . . 27674 1 7 Roy Duncan R. . . . 27674 1 8 Xiang-Qin Liu X. Q. . . 27674 1 9 Jan Rainey J. K. . . 27674 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27674 _Assembly.ID 1 _Assembly.Name 'AR ctail' _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 . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 7488.1419 _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 'AR ctail' 1 $AR_ctail A . yes native no no . . . 27674 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AR_ctail _Entity.Sf_category entity _Entity.Sf_framecode AR_ctail _Entity.Entry_ID 27674 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AR_ctail _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AFFDPRFRQASTSMLCCGQS RSAGTSHSSSGEKSASYSSG HSQGPGPNMGKGGEQMHEKS IPYSQETLVVD ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7488.1419 _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 . ALA . 27674 1 2 . PHE . 27674 1 3 . PHE . 27674 1 4 . ASP . 27674 1 5 . PRO . 27674 1 6 . ARG . 27674 1 7 . PHE . 27674 1 8 . ARG . 27674 1 9 . GLN . 27674 1 10 . ALA . 27674 1 11 . SER . 27674 1 12 . THR . 27674 1 13 . SER . 27674 1 14 . MET . 27674 1 15 . LEU . 27674 1 16 . CYS . 27674 1 17 . CYS . 27674 1 18 . GLY . 27674 1 19 . GLN . 27674 1 20 . SER . 27674 1 21 . ARG . 27674 1 22 . SER . 27674 1 23 . ALA . 27674 1 24 . GLY . 27674 1 25 . THR . 27674 1 26 . SER . 27674 1 27 . HIS . 27674 1 28 . SER . 27674 1 29 . SER . 27674 1 30 . SER . 27674 1 31 . GLY . 27674 1 32 . GLU . 27674 1 33 . LYS . 27674 1 34 . SER . 27674 1 35 . ALA . 27674 1 36 . SER . 27674 1 37 . TYR . 27674 1 38 . SER . 27674 1 39 . SER . 27674 1 40 . GLY . 27674 1 41 . HIS . 27674 1 42 . SER . 27674 1 43 . GLN . 27674 1 44 . GLY . 27674 1 45 . PRO . 27674 1 46 . GLY . 27674 1 47 . PRO . 27674 1 48 . ASN . 27674 1 49 . MET . 27674 1 50 . GLY . 27674 1 51 . LYS . 27674 1 52 . GLY . 27674 1 53 . GLY . 27674 1 54 . GLU . 27674 1 55 . GLN . 27674 1 56 . MET . 27674 1 57 . HIS . 27674 1 58 . GLU . 27674 1 59 . LYS . 27674 1 60 . SER . 27674 1 61 . ILE . 27674 1 62 . PRO . 27674 1 63 . TYR . 27674 1 64 . SER . 27674 1 65 . GLN . 27674 1 66 . GLU . 27674 1 67 . THR . 27674 1 68 . LEU . 27674 1 69 . VAL . 27674 1 70 . VAL . 27674 1 71 . ASP . 27674 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 . ALA 1 1 27674 1 . PHE 2 2 27674 1 . PHE 3 3 27674 1 . ASP 4 4 27674 1 . PRO 5 5 27674 1 . ARG 6 6 27674 1 . PHE 7 7 27674 1 . ARG 8 8 27674 1 . GLN 9 9 27674 1 . ALA 10 10 27674 1 . SER 11 11 27674 1 . THR 12 12 27674 1 . SER 13 13 27674 1 . MET 14 14 27674 1 . LEU 15 15 27674 1 . CYS 16 16 27674 1 . CYS 17 17 27674 1 . GLY 18 18 27674 1 . GLN 19 19 27674 1 . SER 20 20 27674 1 . ARG 21 21 27674 1 . SER 22 22 27674 1 . ALA 23 23 27674 1 . GLY 24 24 27674 1 . THR 25 25 27674 1 . SER 26 26 27674 1 . HIS 27 27 27674 1 . SER 28 28 27674 1 . SER 29 29 27674 1 . SER 30 30 27674 1 . GLY 31 31 27674 1 . GLU 32 32 27674 1 . LYS 33 33 27674 1 . SER 34 34 27674 1 . ALA 35 35 27674 1 . SER 36 36 27674 1 . TYR 37 37 27674 1 . SER 38 38 27674 1 . SER 39 39 27674 1 . GLY 40 40 27674 1 . HIS 41 41 27674 1 . SER 42 42 27674 1 . GLN 43 43 27674 1 . GLY 44 44 27674 1 . PRO 45 45 27674 1 . GLY 46 46 27674 1 . PRO 47 47 27674 1 . ASN 48 48 27674 1 . MET 49 49 27674 1 . GLY 50 50 27674 1 . LYS 51 51 27674 1 . GLY 52 52 27674 1 . GLY 53 53 27674 1 . GLU 54 54 27674 1 . GLN 55 55 27674 1 . MET 56 56 27674 1 . HIS 57 57 27674 1 . GLU 58 58 27674 1 . LYS 59 59 27674 1 . SER 60 60 27674 1 . ILE 61 61 27674 1 . PRO 62 62 27674 1 . TYR 63 63 27674 1 . SER 64 64 27674 1 . GLN 65 65 27674 1 . GLU 66 66 27674 1 . THR 67 67 27674 1 . LEU 68 68 27674 1 . VAL 69 69 27674 1 . VAL 70 70 27674 1 . ASP 71 71 27674 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27674 _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 $AR_ctail . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27674 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27674 _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 $AR_ctail . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pETHN . . . 27674 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27674 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'AR ctail' '[U-13C; U-15N]' . . 1 $AR_ctail . . 0.5 . . mM . . . . 27674 1 2 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 27674 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 27674 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 27674 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27674 1 6 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27674 1 7 LPPG 'natural abundance' . . . . . . 100 . . mM . . . . 27674 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 27674 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 6 . pH 27674 1 pressure 1 . atm 27674 1 temperature 310.15 . K 27674 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27674 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.2.2 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27674 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27674 1 stop_ save_ save_DANGLE _Software.Sf_category software _Software.Sf_framecode DANGLE _Software.Entry_ID 27674 _Software.ID 2 _Software.Type . _Software.Name DANGLE _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27674 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27674 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27674 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version 8.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27674 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27674 3 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 27674 _Software.ID 4 _Software.Type . _Software.Name Topspin _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27674 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27674 4 . processing 27674 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27674 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27674 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27674 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27674 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27674 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27674 1 3 'HN(CA)CO (H[N[ca[CO]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27674 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27674 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27674 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27674 1 7 'CBCACONH (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27674 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27674 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 internal indirect 0.251449530 . . . . . 27674 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27674 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 27674 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_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27674 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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' . . isotropic 27674 1 2 '3D HNCO' . . isotropic 27674 1 3 'HN(CA)CO (H[N[ca[CO]]])' . . isotropic 27674 1 4 '3D HNCA' . . isotropic 27674 1 5 '3D HN(CO)CA' . . isotropic 27674 1 6 '3D HNCACB' . . isotropic 27674 1 7 'CBCACONH (H[N[co[{CA|ca[C]}]]])' . . isotropic 27674 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 $CcpNmr_Analysis . . 27674 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA C C 13 173.850 0.002 . 1 . . 258 . . 1 ALA C . 27674 1 2 . 1 1 1 1 ALA CA C 13 51.909 . . 1 . . 256 . . 1 ALA CA . 27674 1 3 . 1 1 1 1 ALA CB C 13 19.613 . . 1 . . 257 . . 1 ALA CB . 27674 1 4 . 1 1 2 2 PHE H H 1 8.680 0.005 . 1 . . 180 . . 2 PHE H . 27674 1 5 . 1 1 2 2 PHE C C 13 174.485 0.013 . 1 . . 254 . . 2 PHE C . 27674 1 6 . 1 1 2 2 PHE CA C 13 59.320 0.005 . 1 . . 253 . . 2 PHE CA . 27674 1 7 . 1 1 2 2 PHE CB C 13 39.764 0.015 . 1 . . 255 . . 2 PHE CB . 27674 1 8 . 1 1 2 2 PHE N N 15 119.574 0.025 . 1 . . 179 . . 2 PHE N . 27674 1 9 . 1 1 3 3 PHE H H 1 7.603 0.001 . 1 . . 12 . . 3 PHE H . 27674 1 10 . 1 1 3 3 PHE C C 13 173.944 0.008 . 1 . . 251 . . 3 PHE C . 27674 1 11 . 1 1 3 3 PHE CA C 13 57.069 0.006 . 1 . . 249 . . 3 PHE CA . 27674 1 12 . 1 1 3 3 PHE CB C 13 39.695 0.026 . 1 . . 181 . . 3 PHE CB . 27674 1 13 . 1 1 3 3 PHE N N 15 117.192 0.011 . 1 . . 11 . . 3 PHE N . 27674 1 14 . 1 1 4 4 ASP H H 1 7.638 0.001 . 1 . . 60 . . 4 ASP H . 27674 1 15 . 1 1 4 4 ASP C C 13 174.879 . . 1 . . 252 . . 4 ASP C . 27674 1 16 . 1 1 4 4 ASP CA C 13 52.265 0.003 . 1 . . 248 . . 4 ASP CA . 27674 1 17 . 1 1 4 4 ASP CB C 13 42.395 . . 1 . . 250 . . 4 ASP CB . 27674 1 18 . 1 1 4 4 ASP N N 15 123.291 0.011 . 1 . . 59 . . 4 ASP N . 27674 1 19 . 1 1 5 5 PRO C C 13 177.738 . . 1 . . 220 . . 5 PRO C . 27674 1 20 . 1 1 5 5 PRO CA C 13 64.852 0.002 . 1 . . 221 . . 5 PRO CA . 27674 1 21 . 1 1 5 5 PRO CB C 13 32.087 . . 1 . . 222 . . 5 PRO CB . 27674 1 22 . 1 1 6 6 ARG H H 1 8.624 0.002 . 1 . . 38 . . 6 ARG H . 27674 1 23 . 1 1 6 6 ARG C C 13 177.921 0.036 . 1 . . 219 . . 6 ARG C . 27674 1 24 . 1 1 6 6 ARG CA C 13 58.165 0.03 . 1 . . 202 . . 6 ARG CA . 27674 1 25 . 1 1 6 6 ARG CB C 13 29.754 0.062 . 1 . . 201 . . 6 ARG CB . 27674 1 26 . 1 1 6 6 ARG N N 15 118.457 0.029 . 1 . . 37 . . 6 ARG N . 27674 1 27 . 1 1 7 7 PHE H H 1 8.002 0.002 . 1 . . 8 . . 7 PHE H . 27674 1 28 . 1 1 7 7 PHE C C 13 177.188 . . 1 . . 218 . . 7 PHE C . 27674 1 29 . 1 1 7 7 PHE CA C 13 59.562 0.005 . 1 . . 199 . . 7 PHE CA . 27674 1 30 . 1 1 7 7 PHE CB C 13 38.954 0.051 . 1 . . 200 . . 7 PHE CB . 27674 1 31 . 1 1 7 7 PHE N N 15 118.543 0.039 . 1 . . 7 . . 7 PHE N . 27674 1 32 . 1 1 8 8 ARG H H 1 8.041 0.002 . 1 . . 72 . . 8 ARG H . 27674 1 33 . 1 1 8 8 ARG C C 13 177.510 0.015 . 1 . . 217 . . 8 ARG C . 27674 1 34 . 1 1 8 8 ARG CA C 13 58.622 0.036 . 1 . . 198 . . 8 ARG CA . 27674 1 35 . 1 1 8 8 ARG CB C 13 30.243 0.02 . 1 . . 197 . . 8 ARG CB . 27674 1 36 . 1 1 8 8 ARG N N 15 119.616 0.049 . 1 . . 71 . . 8 ARG N . 27674 1 37 . 1 1 9 9 GLN H H 1 8.143 0.002 . 1 . . 104 . . 9 GLN H . 27674 1 38 . 1 1 9 9 GLN C C 13 177.181 0.013 . 1 . . 215 . . 9 GLN C . 27674 1 39 . 1 1 9 9 GLN CA C 13 57.761 0.023 . 1 . . 195 . . 9 GLN CA . 27674 1 40 . 1 1 9 9 GLN CB C 13 28.780 0.06 . 1 . . 196 . . 9 GLN CB . 27674 1 41 . 1 1 9 9 GLN N N 15 119.038 0.012 . 1 . . 103 . . 9 GLN N . 27674 1 42 . 1 1 10 10 ALA H H 1 8.092 0.002 . 1 . . 24 . . 10 ALA H . 27674 1 43 . 1 1 10 10 ALA C C 13 178.535 0.004 . 1 . . 216 . . 10 ALA C . 27674 1 44 . 1 1 10 10 ALA CA C 13 54.207 0.049 . 1 . . 194 . . 10 ALA CA . 27674 1 45 . 1 1 10 10 ALA CB C 13 19.039 0.045 . 1 . . 193 . . 10 ALA CB . 27674 1 46 . 1 1 10 10 ALA N N 15 122.416 0.035 . 1 . . 23 . . 10 ALA N . 27674 1 47 . 1 1 11 11 SER H H 1 8.019 0.001 . 1 . . 112 . . 11 SER H . 27674 1 48 . 1 1 11 11 SER C C 13 175.571 0.014 . 1 . . 214 . . 11 SER C . 27674 1 49 . 1 1 11 11 SER CA C 13 60.745 0.02 . 1 . . 192 . . 11 SER CA . 27674 1 50 . 1 1 11 11 SER CB C 13 63.670 0.043 . 1 . . 191 . . 11 SER CB . 27674 1 51 . 1 1 11 11 SER N N 15 112.934 0.011 . 1 . . 111 . . 11 SER N . 27674 1 52 . 1 1 12 12 THR H H 1 8.030 0.001 . 1 . . 46 . . 12 THR H . 27674 1 53 . 1 1 12 12 THR C C 13 176.270 0.005 . 1 . . 213 . . 12 THR C . 27674 1 54 . 1 1 12 12 THR CA C 13 64.915 0.021 . 1 . . 212 . . 12 THR CA . 27674 1 55 . 1 1 12 12 THR CB C 13 68.945 0.046 . 1 . . 190 . . 12 THR CB . 27674 1 56 . 1 1 12 12 THR N N 15 114.566 0.023 . 1 . . 45 . . 12 THR N . 27674 1 57 . 1 1 13 13 SER H H 1 8.061 0.001 . 1 . . 90 . . 13 SER H . 27674 1 58 . 1 1 13 13 SER C C 13 175.809 0.013 . 1 . . 209 . . 13 SER C . 27674 1 59 . 1 1 13 13 SER CA C 13 61.033 0.012 . 1 . . 207 . . 13 SER CA . 27674 1 60 . 1 1 13 13 SER CB C 13 63.643 0.287 . 1 . . 206 . . 13 SER CB . 27674 1 61 . 1 1 13 13 SER N N 15 117.194 0.02 . 1 . . 89 . . 13 SER N . 27674 1 62 . 1 1 14 14 MET H H 1 7.962 0.002 . 1 . . 86 . . 14 MET H . 27674 1 63 . 1 1 14 14 MET C C 13 176.658 0.017 . 1 . . 150 . . 14 MET C . 27674 1 64 . 1 1 14 14 MET CA C 13 57.744 0.04 . 1 . . 148 . . 14 MET CA . 27674 1 65 . 1 1 14 14 MET CB C 13 33.090 0.0 . 1 . . 149 . . 14 MET CB . 27674 1 66 . 1 1 14 14 MET N N 15 119.899 0.02 . 1 . . 85 . . 14 MET N . 27674 1 67 . 1 1 15 15 LEU H H 1 7.794 0.003 . 1 . . 106 . . 15 LEU H . 27674 1 68 . 1 1 15 15 LEU C C 13 177.202 0.01 . 1 . . 165 . . 15 LEU C . 27674 1 69 . 1 1 15 15 LEU CA C 13 56.284 0.013 . 1 . . 147 . . 15 LEU CA . 27674 1 70 . 1 1 15 15 LEU CB C 13 42.308 0.009 . 1 . . 146 . . 15 LEU CB . 27674 1 71 . 1 1 15 15 LEU N N 15 117.843 0.01 . 1 . . 105 . . 15 LEU N . 27674 1 72 . 1 1 16 16 CYS H H 1 7.879 0.001 . 1 . . 68 . . 16 CYS H . 27674 1 73 . 1 1 16 16 CYS C C 13 175.183 0.011 . 1 . . 187 . . 16 CYS C . 27674 1 74 . 1 1 16 16 CYS CA C 13 59.563 0.009 . 1 . . 188 . . 16 CYS CA . 27674 1 75 . 1 1 16 16 CYS CB C 13 27.724 0.008 . 1 . . 186 . . 16 CYS CB . 27674 1 76 . 1 1 16 16 CYS N N 15 115.811 0.013 . 1 . . 67 . . 16 CYS N . 27674 1 77 . 1 1 17 17 CYS H H 1 8.106 0.001 . 1 . . 20 . . 17 CYS H . 27674 1 78 . 1 1 17 17 CYS C C 13 175.367 0.008 . 1 . . 185 . . 17 CYS C . 27674 1 79 . 1 1 17 17 CYS CA C 13 59.717 0.028 . 1 . . 183 . . 17 CYS CA . 27674 1 80 . 1 1 17 17 CYS CB C 13 27.881 0.05 . 1 . . 184 . . 17 CYS CB . 27674 1 81 . 1 1 17 17 CYS N N 15 119.104 0.01 . 1 . . 19 . . 17 CYS N . 27674 1 82 . 1 1 18 18 GLY H H 1 8.496 0.002 . 1 . . 120 . . 18 GLY H . 27674 1 83 . 1 1 18 18 GLY C C 13 174.494 0.004 . 1 . . 163 . . 18 GLY C . 27674 1 84 . 1 1 18 18 GLY CA C 13 46.086 0.035 . 1 . . 164 . . 18 GLY CA . 27674 1 85 . 1 1 18 18 GLY N N 15 109.659 0.043 . 1 . . 119 . . 18 GLY N . 27674 1 86 . 1 1 19 19 GLN H H 1 8.209 0.001 . 1 . . 132 . . 19 GLN H . 27674 1 87 . 1 1 19 19 GLN C C 13 176.545 0.007 . 1 . . 161 . . 19 GLN C . 27674 1 88 . 1 1 19 19 GLN CA C 13 56.604 0.036 . 1 . . 160 . . 19 GLN CA . 27674 1 89 . 1 1 19 19 GLN CB C 13 29.460 0.011 . 1 . . 162 . . 19 GLN CB . 27674 1 90 . 1 1 19 19 GLN N N 15 119.542 0.013 . 1 . . 131 . . 19 GLN N . 27674 1 91 . 1 1 20 20 SER H H 1 8.300 0.001 . 1 . . 10 . . 20 SER H . 27674 1 92 . 1 1 20 20 SER C C 13 175.116 0.013 . 1 . . 159 . . 20 SER C . 27674 1 93 . 1 1 20 20 SER CA C 13 59.140 0.017 . 1 . . 157 . . 20 SER CA . 27674 1 94 . 1 1 20 20 SER CB C 13 63.723 0.058 . 1 . . 158 . . 20 SER CB . 27674 1 95 . 1 1 20 20 SER N N 15 115.884 0.011 . 1 . . 9 . . 20 SER N . 27674 1 96 . 1 1 21 21 ARG H H 1 8.253 0.001 . 1 . . 98 . . 21 ARG H . 27674 1 97 . 1 1 21 21 ARG C C 13 176.599 0.008 . 1 . . 139 . . 21 ARG C . 27674 1 98 . 1 1 21 21 ARG CA C 13 56.625 0.031 . 1 . . 137 . . 21 ARG CA . 27674 1 99 . 1 1 21 21 ARG CB C 13 30.640 0.032 . 1 . . 138 . . 21 ARG CB . 27674 1 100 . 1 1 21 21 ARG N N 15 122.308 0.01 . 1 . . 97 . . 21 ARG N . 27674 1 101 . 1 1 22 22 SER H H 1 8.177 0.001 . 1 . . 56 . . 22 SER H . 27674 1 102 . 1 1 22 22 SER C C 13 174.539 0.001 . 1 . . 182 . . 22 SER C . 27674 1 103 . 1 1 22 22 SER CA C 13 58.604 0.04 . 1 . . 135 . . 22 SER CA . 27674 1 104 . 1 1 22 22 SER CB C 13 64.026 0.007 . 1 . . 136 . . 22 SER CB . 27674 1 105 . 1 1 22 22 SER N N 15 115.642 0.009 . 1 . . 55 . . 22 SER N . 27674 1 106 . 1 1 23 23 ALA H H 1 8.227 0.001 . 1 . . 96 . . 23 ALA H . 27674 1 107 . 1 1 23 23 ALA C C 13 178.279 0.001 . 1 . . 203 . . 23 ALA C . 27674 1 108 . 1 1 23 23 ALA CA C 13 52.955 0.03 . 1 . . 134 . . 23 ALA CA . 27674 1 109 . 1 1 23 23 ALA CB C 13 19.383 0.004 . 1 . . 133 . . 23 ALA CB . 27674 1 110 . 1 1 23 23 ALA N N 15 125.585 0.01 . 1 . . 95 . . 23 ALA N . 27674 1 111 . 1 1 24 24 GLY H H 1 8.309 0.001 . 1 . . 6 . . 24 GLY H . 27674 1 112 . 1 1 24 24 GLY C C 13 174.585 0.001 . 1 . . 204 . . 24 GLY C . 27674 1 113 . 1 1 24 24 GLY CA C 13 45.640 0.048 . 1 . . 205 . . 24 GLY CA . 27674 1 114 . 1 1 24 24 GLY N N 15 107.474 0.026 . 1 . . 5 . . 24 GLY N . 27674 1 115 . 1 1 25 25 THR H H 1 7.975 0.001 . 1 . . 64 . . 25 THR H . 27674 1 116 . 1 1 25 25 THR C C 13 174.845 0.005 . 1 . . 241 . . 25 THR C . 27674 1 117 . 1 1 25 25 THR CA C 13 61.910 0.018 . 1 . . 239 . . 25 THR CA . 27674 1 118 . 1 1 25 25 THR CB C 13 69.963 0.04 . 1 . . 240 . . 25 THR CB . 27674 1 119 . 1 1 25 25 THR N N 15 112.825 0.012 . 1 . . 63 . . 25 THR N . 27674 1 120 . 1 1 26 26 SER H H 1 8.289 0.001 . 1 . . 36 . . 26 SER H . 27674 1 121 . 1 1 26 26 SER C C 13 174.527 . . 1 . . 242 . . 26 SER C . 27674 1 122 . 1 1 26 26 SER CA C 13 58.610 . . 1 . . 243 . . 26 SER CA . 27674 1 123 . 1 1 26 26 SER CB C 13 63.940 . . 1 . . 244 . . 26 SER CB . 27674 1 124 . 1 1 26 26 SER N N 15 117.705 0.009 . 1 . . 35 . . 26 SER N . 27674 1 125 . 1 1 27 27 HIS H H 1 8.430 0.004 . 1 . . 28 . . 27 HIS H . 27674 1 126 . 1 1 27 27 HIS N N 15 122.058 0.039 . 1 . . 27 . . 27 HIS N . 27674 1 127 . 1 1 34 34 SER H H 1 8.210 0.001 . 1 . . 126 . . 34 SER H . 27674 1 128 . 1 1 34 34 SER C C 13 174.469 0.003 . 1 . . 264 . . 34 SER C . 27674 1 129 . 1 1 34 34 SER CA C 13 58.526 0.033 . 1 . . 142 . . 34 SER CA . 27674 1 130 . 1 1 34 34 SER CB C 13 64.038 0.007 . 1 . . 143 . . 34 SER CB . 27674 1 131 . 1 1 34 34 SER N N 15 116.492 0.011 . 1 . . 125 . . 34 SER N . 27674 1 132 . 1 1 35 35 ALA H H 1 8.277 0.001 . 1 . . 58 . . 35 ALA H . 27674 1 133 . 1 1 35 35 ALA C C 13 177.742 0.007 . 1 . . 265 . . 35 ALA C . 27674 1 134 . 1 1 35 35 ALA CA C 13 52.805 0.004 . 1 . . 262 . . 35 ALA CA . 27674 1 135 . 1 1 35 35 ALA CB C 13 19.258 0.002 . 1 . . 259 . . 35 ALA CB . 27674 1 136 . 1 1 35 35 ALA N N 15 125.844 0.008 . 1 . . 57 . . 35 ALA N . 27674 1 137 . 1 1 36 36 SER H H 1 8.126 0.001 . 1 . . 124 . . 36 SER H . 27674 1 138 . 1 1 36 36 SER C C 13 174.384 0.003 . 1 . . 263 . . 36 SER C . 27674 1 139 . 1 1 36 36 SER CA C 13 58.515 0.013 . 1 . . 261 . . 36 SER CA . 27674 1 140 . 1 1 36 36 SER CB C 13 63.941 0.015 . 1 . . 260 . . 36 SER CB . 27674 1 141 . 1 1 36 36 SER N N 15 114.411 0.019 . 1 . . 123 . . 36 SER N . 27674 1 142 . 1 1 37 37 TYR H H 1 8.040 0.001 . 1 . . 100 . . 37 TYR H . 27674 1 143 . 1 1 37 37 TYR C C 13 175.962 . . 1 . . 307 . . 37 TYR C . 27674 1 144 . 1 1 37 37 TYR CA C 13 58.258 . . 1 . . 306 . . 37 TYR CA . 27674 1 145 . 1 1 37 37 TYR CB C 13 38.820 . . 1 . . 305 . . 37 TYR CB . 27674 1 146 . 1 1 37 37 TYR N N 15 121.843 0.008 . 1 . . 99 . . 37 TYR N . 27674 1 147 . 1 1 43 43 GLN C C 13 176.001 0.002 . 1 . . 280 . . 43 GLN C . 27674 1 148 . 1 1 43 43 GLN CA C 13 55.947 0.003 . 1 . . 278 . . 43 GLN CA . 27674 1 149 . 1 1 43 43 GLN CB C 13 29.803 0.034 . 1 . . 279 . . 43 GLN CB . 27674 1 150 . 1 1 44 44 GLY H H 1 8.212 0.003 . 1 . . 2 . . 44 GLY H . 27674 1 151 . 1 1 44 44 GLY C C 13 171.817 . . 1 . . 281 . . 44 GLY C . 27674 1 152 . 1 1 44 44 GLY CA C 13 44.624 0.004 . 1 . . 277 . . 44 GLY CA . 27674 1 153 . 1 1 44 44 GLY N N 15 109.994 0.028 . 1 . . 1 . . 44 GLY N . 27674 1 154 . 1 1 45 45 PRO C C 13 177.286 . . 1 . . 269 . . 45 PRO C . 27674 1 155 . 1 1 45 45 PRO CA C 13 63.433 0.01 . 1 . . 267 . . 45 PRO CA . 27674 1 156 . 1 1 45 45 PRO CB C 13 32.359 0.031 . 1 . . 268 . . 45 PRO CB . 27674 1 157 . 1 1 46 46 GLY H H 1 8.203 0.004 . 1 . . 102 . . 46 GLY H . 27674 1 158 . 1 1 46 46 GLY C C 13 172.042 . . 1 . . 270 . . 46 GLY C . 27674 1 159 . 1 1 46 46 GLY CA C 13 44.690 0.023 . 1 . . 266 . . 46 GLY CA . 27674 1 160 . 1 1 46 46 GLY N N 15 108.958 0.067 . 1 . . 101 . . 46 GLY N . 27674 1 161 . 1 1 47 47 PRO C C 13 176.921 0.014 . 1 . . 304 . . 47 PRO C . 27674 1 162 . 1 1 47 47 PRO CA C 13 63.475 0.029 . 1 . . 302 . . 47 PRO CA . 27674 1 163 . 1 1 47 47 PRO CB C 13 32.182 0.023 . 1 . . 299 . . 47 PRO CB . 27674 1 164 . 1 1 48 48 ASN H H 1 8.514 0.001 . 1 . . 52 . . 48 ASN H . 27674 1 165 . 1 1 48 48 ASN C C 13 175.300 . . 1 . . 303 . . 48 ASN C . 27674 1 166 . 1 1 48 48 ASN CA C 13 53.500 0.019 . 1 . . 301 . . 48 ASN CA . 27674 1 167 . 1 1 48 48 ASN CB C 13 38.726 . . 1 . . 300 . . 48 ASN CB . 27674 1 168 . 1 1 48 48 ASN N N 15 118.223 0.008 . 1 . . 51 . . 48 ASN N . 27674 1 169 . 1 1 49 49 MET C C 13 176.654 0.011 . 1 . . 288 . . 49 MET C . 27674 1 170 . 1 1 49 49 MET CA C 13 55.737 0.051 . 1 . . 290 . . 49 MET CA . 27674 1 171 . 1 1 49 49 MET CB C 13 32.802 . . 1 . . 289 . . 49 MET CB . 27674 1 172 . 1 1 50 50 GLY H H 1 8.371 0.002 . 1 . . 285 . . 50 GLY H . 27674 1 173 . 1 1 50 50 GLY C C 13 174.253 . . 1 . . 287 . . 50 GLY C . 27674 1 174 . 1 1 50 50 GLY CA C 13 45.456 0.002 . 1 . . 312 . . 50 GLY CA . 27674 1 175 . 1 1 50 50 GLY N N 15 109.459 0.011 . 1 . . 286 . . 50 GLY N . 27674 1 176 . 1 1 51 51 LYS H H 1 8.189 0.001 . 1 . . 94 . . 51 LYS H . 27674 1 177 . 1 1 51 51 LYS C C 13 177.253 0.005 . 1 . . 291 . . 51 LYS C . 27674 1 178 . 1 1 51 51 LYS CA C 13 56.501 0.021 . 1 . . 292 . . 51 LYS CA . 27674 1 179 . 1 1 51 51 LYS CB C 13 33.091 0.015 . 1 . . 293 . . 51 LYS CB . 27674 1 180 . 1 1 51 51 LYS N N 15 120.752 0.007 . 1 . . 93 . . 51 LYS N . 27674 1 181 . 1 1 52 52 GLY H H 1 8.494 0.001 . 1 . . 4 . . 52 GLY H . 27674 1 182 . 1 1 52 52 GLY C C 13 174.748 0.019 . 1 . . 282 . . 52 GLY C . 27674 1 183 . 1 1 52 52 GLY CA C 13 45.527 0.043 . 1 . . 284 . . 52 GLY CA . 27674 1 184 . 1 1 52 52 GLY N N 15 109.951 0.017 . 1 . . 3 . . 52 GLY N . 27674 1 185 . 1 1 53 53 GLY H H 1 8.242 0.002 . 1 . . 16 . . 53 GLY H . 27674 1 186 . 1 1 53 53 GLY C C 13 174.434 . . 1 . . 283 . . 53 GLY C . 27674 1 187 . 1 1 53 53 GLY CA C 13 45.466 0.011 . 1 . . 140 . . 53 GLY CA . 27674 1 188 . 1 1 53 53 GLY N N 15 108.725 0.017 . 1 . . 15 . . 53 GLY N . 27674 1 189 . 1 1 62 62 PRO C C 13 176.480 . . 1 . . 273 . . 62 PRO C . 27674 1 190 . 1 1 62 62 PRO CA C 13 63.383 0.005 . 1 . . 271 . . 62 PRO CA . 27674 1 191 . 1 1 62 62 PRO CB C 13 31.932 0.036 . 1 . . 275 . . 62 PRO CB . 27674 1 192 . 1 1 63 63 TYR H H 1 8.033 0.001 . 1 . . 18 . . 63 TYR H . 27674 1 193 . 1 1 63 63 TYR C C 13 175.864 0.095 . 1 . . 274 . . 63 TYR C . 27674 1 194 . 1 1 63 63 TYR CA C 13 58.098 0.007 . 1 . . 272 . . 63 TYR CA . 27674 1 195 . 1 1 63 63 TYR CB C 13 38.819 0.063 . 1 . . 276 . . 63 TYR CB . 27674 1 196 . 1 1 63 63 TYR N N 15 120.158 0.008 . 1 . . 17 . . 63 TYR N . 27674 1 197 . 1 1 64 64 SER H H 1 8.116 0.001 . 1 . . 26 . . 64 SER H . 27674 1 198 . 1 1 64 64 SER C C 13 174.517 . . 1 . . 295 . . 64 SER C . 27674 1 199 . 1 1 64 64 SER CA C 13 58.181 0.064 . 1 . . 311 . . 64 SER CA . 27674 1 200 . 1 1 64 64 SER CB C 13 64.071 . . 1 . . 294 . . 64 SER CB . 27674 1 201 . 1 1 64 64 SER N N 15 116.968 0.011 . 1 . . 25 . . 64 SER N . 27674 1 202 . 1 1 65 65 GLN H H 1 8.319 0.001 . 1 . . 128 . . 65 GLN H . 27674 1 203 . 1 1 65 65 GLN C C 13 175.910 0.002 . 1 . . 310 . . 65 GLN C . 27674 1 204 . 1 1 65 65 GLN CA C 13 56.211 0.042 . 1 . . 308 . . 65 GLN CA . 27674 1 205 . 1 1 65 65 GLN CB C 13 29.632 0.015 . 1 . . 309 . . 65 GLN CB . 27674 1 206 . 1 1 65 65 GLN N N 15 122.237 0.01 . 1 . . 127 . . 65 GLN N . 27674 1 207 . 1 1 66 66 GLU H H 1 8.396 0.001 . 1 . . 92 . . 66 GLU H . 27674 1 208 . 1 1 66 66 GLU C C 13 176.524 0.009 . 1 . . 238 . . 66 GLU C . 27674 1 209 . 1 1 66 66 GLU CA C 13 57.041 0.038 . 1 . . 236 . . 66 GLU CA . 27674 1 210 . 1 1 66 66 GLU CB C 13 30.387 0.025 . 1 . . 237 . . 66 GLU CB . 27674 1 211 . 1 1 66 66 GLU N N 15 121.592 0.016 . 1 . . 91 . . 66 GLU N . 27674 1 212 . 1 1 67 67 THR H H 1 8.086 0.001 . 1 . . 14 . . 67 THR H . 27674 1 213 . 1 1 67 67 THR C C 13 174.035 0.001 . 1 . . 235 . . 67 THR C . 27674 1 214 . 1 1 67 67 THR CA C 13 62.035 0.025 . 1 . . 234 . . 67 THR CA . 27674 1 215 . 1 1 67 67 THR CB C 13 69.851 . . 1 . . 247 . . 67 THR CB . 27674 1 216 . 1 1 67 67 THR N N 15 115.355 0.01 . 1 . . 13 . . 67 THR N . 27674 1 217 . 1 1 68 68 LEU H H 1 8.145 0.001 . 1 . . 84 . . 68 LEU H . 27674 1 218 . 1 1 68 68 LEU C C 13 176.660 0.011 . 1 . . 233 . . 68 LEU C . 27674 1 219 . 1 1 68 68 LEU CA C 13 55.271 0.047 . 1 . . 231 . . 68 LEU CA . 27674 1 220 . 1 1 68 68 LEU CB C 13 42.655 0.037 . 1 . . 232 . . 68 LEU CB . 27674 1 221 . 1 1 68 68 LEU N N 15 125.414 0.006 . 1 . . 83 . . 68 LEU N . 27674 1 222 . 1 1 69 69 VAL H H 1 8.111 0.001 . 1 . . 70 . . 69 VAL H . 27674 1 223 . 1 1 69 69 VAL C C 13 175.795 0.002 . 1 . . 230 . . 69 VAL C . 27674 1 224 . 1 1 69 69 VAL CA C 13 62.427 0.043 . 1 . . 228 . . 69 VAL CA . 27674 1 225 . 1 1 69 69 VAL CB C 13 32.758 0.038 . 1 . . 229 . . 69 VAL CB . 27674 1 226 . 1 1 69 69 VAL N N 15 122.947 0.016 . 1 . . 69 . . 69 VAL N . 27674 1 227 . 1 1 70 70 VAL H H 1 8.184 0.001 . 1 . . 48 . . 70 VAL H . 27674 1 228 . 1 1 70 70 VAL C C 13 174.791 0.004 . 1 . . 227 . . 70 VAL C . 27674 1 229 . 1 1 70 70 VAL CA C 13 61.945 0.027 . 1 . . 224 . . 70 VAL CA . 27674 1 230 . 1 1 70 70 VAL CB C 13 33.098 0.053 . 1 . . 245 . . 70 VAL CB . 27674 1 231 . 1 1 70 70 VAL N N 15 124.309 0.005 . 1 . . 47 . . 70 VAL N . 27674 1 232 . 1 1 71 71 ASP H H 1 7.886 0.003 . 1 . . 78 . . 71 ASP H . 27674 1 233 . 1 1 71 71 ASP C C 13 180.577 . . 1 . . 226 . . 71 ASP C . 27674 1 234 . 1 1 71 71 ASP CA C 13 55.877 0.003 . 1 . . 141 . . 71 ASP CA . 27674 1 235 . 1 1 71 71 ASP CB C 13 42.419 . . 1 . . 225 . . 71 ASP CB . 27674 1 236 . 1 1 71 71 ASP N N 15 109.41 0.17 . 1 . . 77 . . 71 ASP N . 27674 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1 _Spectral_peak_list.Entry_ID 27674 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _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 . . N 15 15N . . 1419.07702637 . . . . . . . 27674 1 2 . . H 1 1H . . 4208.75390625 . . . . . . . 27674 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27674 1 2 1.0 . . 27674 1 3 1.0 . . 27674 1 4 1.0 . . 27674 1 5 1.0 . . 27674 1 6 1.0 . . 27674 1 7 1.0 . . 27674 1 8 1.0 . . 27674 1 9 1.0 . . 27674 1 10 1.0 . . 27674 1 11 1.0 . . 27674 1 12 1.0 . . 27674 1 13 1.0 . . 27674 1 14 1.0 . . 27674 1 15 1.0 . . 27674 1 16 1.0 . . 27674 1 17 1.0 . . 27674 1 18 1.0 . . 27674 1 19 1.0 . . 27674 1 20 1.0 . . 27674 1 21 1.0 . . 27674 1 22 1.0 . . 27674 1 23 1.0 . . 27674 1 24 1.0 . . 27674 1 25 1.0 . . 27674 1 26 1.0 . . 27674 1 27 1.0 . . 27674 1 28 1.0 . . 27674 1 29 1.0 . . 27674 1 30 1.0 . . 27674 1 31 1.0 . . 27674 1 32 1.0 . . 27674 1 33 1.0 . . 27674 1 34 1.0 . . 27674 1 35 1.0 . . 27674 1 36 1.0 . . 27674 1 37 1.0 . . 27674 1 38 1.0 . . 27674 1 39 1.0 . . 27674 1 40 1.0 . . 27674 1 41 1.0 . . 27674 1 42 1.0 . . 27674 1 43 1.0 . . 27674 1 44 1.0 . . 27674 1 45 1.0 . . 27674 1 46 1.0 . . 27674 1 47 1.0 . . 27674 1 48 1.0 . . 27674 1 49 1.0 . . 27674 1 50 1.0 . . 27674 1 51 1.0 . . 27674 1 52 1.0 . . 27674 1 53 1.0 . . 27674 1 54 1.0 . . 27674 1 55 1.0 . . 27674 1 56 1.0 . . 27674 1 57 1.0 . . 27674 1 58 1.0 . . 27674 1 59 1.0 . . 27674 1 60 1.0 . . 27674 1 61 1.0 . . 27674 1 62 1.0 . . 27674 1 63 1.0 . . 27674 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 12137429.00000 . height 27674 1 1 91958049.00000 . volume 27674 1 2 15226233.00000 . height 27674 1 2 109427003.00000 . volume 27674 1 3 38716528.00000 . height 27674 1 3 266713162.00000 . volume 27674 1 4 17930564.00000 . height 27674 1 4 132243579.00000 . volume 27674 1 5 16413594.00000 . height 27674 1 5 130481511.00000 . volume 27674 1 6 67591048.00000 . height 27674 1 6 413772504.00000 . volume 27674 1 7 102963816.00000 . height 27674 1 7 680911664.00000 . volume 27674 1 8 4356691.50000 . height 27674 1 8 31571877.75000 . volume 27674 1 9 22909080.00000 . height 27674 1 9 154955247.00000 . volume 27674 1 10 4633503.50000 . height 27674 1 10 36086370.50000 . volume 27674 1 11 30027034.00000 . height 27674 1 11 220681182.00000 . volume 27674 1 12 39379016.00000 . height 27674 1 12 280259704.00000 . volume 27674 1 13 17016144.00000 . height 27674 1 13 120952393.00000 . volume 27674 1 14 30392428.00000 . height 27674 1 14 214320536.00000 . volume 27674 1 15 11295944.00000 . height 27674 1 15 79914417.00000 . volume 27674 1 16 6286870.50000 . height 27674 1 16 47224265.50000 . volume 27674 1 17 32128046.00000 . height 27674 1 17 214651824.00000 . volume 27674 1 18 37649244.00000 . height 27674 1 18 254036132.00000 . volume 27674 1 19 9253757.00000 . height 27674 1 19 68057784.50000 . volume 27674 1 20 22711392.00000 . height 27674 1 20 156136504.00000 . volume 27674 1 21 35975544.00000 . height 27674 1 21 244965992.00000 . volume 27674 1 22 32849066.00000 . height 27674 1 22 233130326.00000 . volume 27674 1 23 18335348.00000 . height 27674 1 23 130072428.00000 . volume 27674 1 24 18457228.00000 . height 27674 1 24 131763156.00000 . volume 27674 1 25 30105344.00000 . height 27674 1 25 209399509.00000 . volume 27674 1 26 4580029.50000 . height 27674 1 26 36676707.25000 . volume 27674 1 27 35965488.00000 . height 27674 1 27 237489539.00000 . volume 27674 1 28 62115500.00000 . height 27674 1 28 399143246.00000 . volume 27674 1 29 40625932.00000 . height 27674 1 29 258514364.00000 . volume 27674 1 30 58242408.00000 . height 27674 1 30 387744300.00000 . volume 27674 1 31 24196372.00000 . height 27674 1 31 167983157.00000 . volume 27674 1 32 63874512.00000 . height 27674 1 32 396424132.00000 . volume 27674 1 33 21656176.00000 . height 27674 1 33 149556747.00000 . volume 27674 1 34 225853088.00000 . height 27674 1 34 1323392640.00000 . volume 27674 1 35 32475888.00000 . height 27674 1 35 222216077.00000 . volume 27674 1 36 112054144.00000 . height 27674 1 36 672959684.00000 . volume 27674 1 37 26103740.00000 . height 27674 1 37 194393822.00000 . volume 27674 1 38 16176040.00000 . height 27674 1 38 114800884.00000 . volume 27674 1 39 210349856.00000 . height 27674 1 39 1283467264.00000 . volume 27674 1 40 9510309.00000 . height 27674 1 40 73393000.50000 . volume 27674 1 41 41581960.00000 . height 27674 1 41 289309540.00000 . volume 27674 1 42 27334740.00000 . height 27674 1 42 199017140.00000 . volume 27674 1 43 73157384.00000 . height 27674 1 43 443820786.00000 . volume 27674 1 44 92373704.00000 . height 27674 1 44 597954352.00000 . volume 27674 1 45 40508944.00000 . height 27674 1 45 293505960.00000 . volume 27674 1 46 19920904.00000 . height 27674 1 46 151717528.00000 . volume 27674 1 47 23894934.00000 . height 27674 1 47 171815048.00000 . volume 27674 1 48 100991488.00000 . height 27674 1 48 622776680.00000 . volume 27674 1 49 19856404.00000 . height 27674 1 49 146880158.00000 . volume 27674 1 50 26528964.00000 . height 27674 1 50 191340884.00000 . volume 27674 1 51 24414336.00000 . height 27674 1 51 177326056.00000 . volume 27674 1 52 39357200.00000 . height 27674 1 52 263286662.00000 . volume 27674 1 53 27981472.00000 . height 27674 1 53 203415566.00000 . volume 27674 1 54 323229440.00000 . height 27674 1 54 1735893848.00000 . volume 27674 1 55 36405200.00000 . height 27674 1 55 260178270.00000 . volume 27674 1 56 22906052.00000 . height 27674 1 56 135289224.50000 . volume 27674 1 57 30928788.00000 . height 27674 1 57 227290102.00000 . volume 27674 1 58 35087172.00000 . height 27674 1 58 247766288.00000 . volume 27674 1 59 53469080.00000 . height 27674 1 59 367362896.00000 . volume 27674 1 60 5693177.00000 . height 27674 1 60 36473025.50000 . volume 27674 1 61 4336929.50000 . height 27674 1 61 32602038.00000 . volume 27674 1 62 4231104.00000 . height 27674 1 62 31095017.75000 . volume 27674 1 63 920120.87500 . height 27674 1 63 6878573.40625 . volume 27674 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 1 118.439 . 11.18956207140 . . . . . . . . . . . 27674 1 1 2 8.622 . 26.46862467540 . . . . . . . . . . . 27674 1 2 1 118.227 . 10.03837951950 . . . . . . . . . . . 27674 1 2 2 8.514 . 21.02455857430 . . . . . . . . . . . 27674 1 3 1 109.669 . 9.33202202571 . . . . . . . . . . . 27674 1 3 2 8.496 . 18.93425694600 . . . . . . . . . . . 27674 1 4 1 109.971 . 10.89647995960 . . . . . . . . . . . 27674 1 4 2 8.493 . 21.22737992040 . . . . . . . . . . . 27674 1 5 1 122.113 . 18.18310180380 . . . . . . . . . . . 27674 1 5 2 8.426 . 24.06223783230 . . . . . . . . . . . 27674 1 6 1 121.594 . 7.14731268454 . . . . . . . . . . . 27674 1 6 2 8.394 . 15.94938398770 . . . . . . . . . . . 27674 1 7 1 120.704 . 7.89287466865 . . . . . . . . . . . 27674 1 7 2 8.390 . 17.49870326240 . . . . . . . . . . . 27674 1 8 1 110.054 . 10.72807404770 . . . . . . . . . . . 27674 1 8 2 8.392 . 19.93067795620 . . . . . . . . . . . 27674 1 9 1 109.472 . 8.74551946767 . . . . . . . . . . . 27674 1 9 2 8.368 . 18.97038097050 . . . . . . . . . . . 27674 1 10 1 117.524 . 12.50931970240 . . . . . . . . . . . 27674 1 10 2 8.353 . 27.94632305430 . . . . . . . . . . . 27674 1 11 1 122.032 . 15.41313751240 . . . . . . . . . . . 27674 1 11 2 8.349 . 19.16191355900 . . . . . . . . . . . 27674 1 12 1 122.123 . 12.16906109770 . . . . . . . . . . . 27674 1 12 2 8.338 . 18.70584774910 . . . . . . . . . . . 27674 1 13 1 110.607 . 9.57088606146 . . . . . . . . . . . 27674 1 13 2 8.336 . 21.31079129650 . . . . . . . . . . . 27674 1 14 1 122.251 . 9.41520997867 . . . . . . . . . . . 27674 1 14 2 8.316 . 20.24024077760 . . . . . . . . . . . 27674 1 15 1 121.894 . 9.61662463346 . . . . . . . . . . . 27674 1 15 2 8.316 . 18.51180654790 . . . . . . . . . . . 27674 1 16 1 110.139 . 11.19920459980 . . . . . . . . . . . 27674 1 16 2 8.307 . 26.84052652530 . . . . . . . . . . . 27674 1 17 1 107.484 . 8.45404444387 . . . . . . . . . . . 27674 1 17 2 8.307 . 19.54585675030 . . . . . . . . . . . 27674 1 18 1 115.895 . 8.85590104226 . . . . . . . . . . . 27674 1 18 2 8.298 . 18.02488480040 . . . . . . . . . . . 27674 1 19 1 117.705 . 11.31161618040 . . . . . . . . . . . 27674 1 19 2 8.286 . 24.95894148320 . . . . . . . . . . . 27674 1 20 1 125.850 . 9.09954933688 . . . . . . . . . . . 27674 1 20 2 8.275 . 18.59998428830 . . . . . . . . . . . 27674 1 21 1 122.322 . 8.78705000646 . . . . . . . . . . . 27674 1 21 2 8.252 . 18.94930862290 . . . . . . . . . . . 27674 1 22 1 120.839 . 9.25860347648 . . . . . . . . . . . 27674 1 22 2 8.251 . 36.46808078780 . . . . . . . . . . . 27674 1 23 1 116.934 . 9.72169858828 . . . . . . . . . . . 27674 1 23 2 8.244 . 18.96335685460 . . . . . . . . . . . 27674 1 24 1 120.500 . 9.26968392573 . . . . . . . . . . . 27674 1 24 2 8.240 . 20.12961095250 . . . . . . . . . . . 27674 1 25 1 108.742 . 9.27712728095 . . . . . . . . . . . 27674 1 25 2 8.240 . 19.38806500430 . . . . . . . . . . . 27674 1 26 1 117.667 . 14.28104970420 . . . . . . . . . . . 27674 1 26 2 8.231 . 72.04322084400 . . . . . . . . . . . 27674 1 27 1 125.599 . 8.33261413886 . . . . . . . . . . . 27674 1 27 2 8.226 . 16.86628197170 . . . . . . . . . . . 27674 1 28 1 120.775 . 7.71520685453 . . . . . . . . . . . 27674 1 28 2 8.220 . 17.91124463990 . . . . . . . . . . . 27674 1 29 1 110.028 . 7.76807159332 . . . . . . . . . . . 27674 1 29 2 8.213 . 17.99528316920 . . . . . . . . . . . 27674 1 30 1 119.557 . 8.65188544232 . . . . . . . . . . . 27674 1 30 2 8.209 . 18.16499082620 . . . . . . . . . . . 27674 1 31 1 116.497 . 9.28520501304 . . . . . . . . . . . 27674 1 31 2 8.209 . 18.01184001380 . . . . . . . . . . . 27674 1 32 1 108.958 . 7.11804676514 . . . . . . . . . . . 27674 1 32 2 8.201 . 16.17704060070 . . . . . . . . . . . 27674 1 33 1 120.765 . 8.21255831707 . . . . . . . . . . . 27674 1 33 2 8.190 . 56.77818643230 . . . . . . . . . . . 27674 1 34 1 124.315 . 5.90251725317 . . . . . . . . . . . 27674 1 34 2 8.185 . 18.72089942600 . . . . . . . . . . . 27674 1 35 1 115.658 . 8.83873057510 . . . . . . . . . . . 27674 1 35 2 8.177 . 18.27863098670 . . . . . . . . . . . 27674 1 36 1 125.423 . 6.66302409895 . . . . . . . . . . . 27674 1 36 2 8.145 . 16.60488451630 . . . . . . . . . . . 27674 1 37 1 119.043 . 11.47896479750 . . . . . . . . . . . 27674 1 37 2 8.144 . 43.95127281580 . . . . . . . . . . . 27674 1 38 1 114.423 . 9.61757619876 . . . . . . . . . . . 27674 1 38 2 8.125 . 20.49310894940 . . . . . . . . . . . 27674 1 39 1 122.962 . 6.49396795077 . . . . . . . . . . . 27674 1 39 2 8.113 . 17.52353852930 . . . . . . . . . . . 27674 1 40 1 116.987 . 12.24609559500 . . . . . . . . . . . 27674 1 40 2 8.117 . 23.40987306970 . . . . . . . . . . . 27674 1 41 1 119.119 . 9.34411747794 . . . . . . . . . . . 27674 1 41 2 8.106 . 19.44513594580 . . . . . . . . . . . 27674 1 42 1 122.366 . 10.96444286780 . . . . . . . . . . . 27674 1 42 2 8.094 . 19.74177941120 . . . . . . . . . . . 27674 1 43 1 115.371 . 6.74554066973 . . . . . . . . . . . 27674 1 43 2 8.087 . 17.39773159660 . . . . . . . . . . . 27674 1 44 1 123.715 . 7.05048562897 . . . . . . . . . . . 27674 1 44 2 8.066 . 17.89656925490 . . . . . . . . . . . 27674 1 45 1 117.148 . 16.08534438500 . . . . . . . . . . . 27674 1 45 2 8.060 . 18.10252636710 . . . . . . . . . . . 27674 1 46 1 119.488 . 11.89397414290 . . . . . . . . . . . 27674 1 46 2 8.046 . 22.43690758930 . . . . . . . . . . . 27674 1 47 1 121.862 . 9.79188181550 . . . . . . . . . . . 27674 1 47 2 8.041 . 19.48339229120 . . . . . . . . . . . 27674 1 48 1 120.178 . 7.37589981507 . . . . . . . . . . . 27674 1 48 2 8.034 . 15.60081223700 . . . . . . . . . . . 27674 1 49 1 114.564 . 11.56435192360 . . . . . . . . . . . 27674 1 49 2 8.030 . 20.83101909560 . . . . . . . . . . . 27674 1 50 1 112.946 . 10.88235450140 . . . . . . . . . . . 27674 1 50 2 8.021 . 20.04394182480 . . . . . . . . . . . 27674 1 51 1 118.574 . 11.04703873570 . . . . . . . . . . . 27674 1 51 2 8.002 . 21.45528739470 . . . . . . . . . . . 27674 1 52 1 112.843 . 8.30982943645 . . . . . . . . . . . 27674 1 52 2 7.976 . 19.20493626870 . . . . . . . . . . . 27674 1 53 1 119.900 . 10.96786850290 . . . . . . . . . . . 27674 1 53 2 7.963 . 20.98341732410 . . . . . . . . . . . 27674 1 54 1 109.401 . 5.46968191785 . . . . . . . . . . . 27674 1 54 2 7.884 . 16.32580134060 . . . . . . . . . . . 27674 1 55 1 115.828 . 9.98043976582 . . . . . . . . . . . 27674 1 55 2 7.879 . 19.38028830450 . . . . . . . . . . . 27674 1 56 1 121.036 . 6.32021212731 . . . . . . . . . . . 27674 1 56 2 7.836 . 18.07643679380 . . . . . . . . . . . 27674 1 57 1 117.850 . 11.11787748560 . . . . . . . . . . . 27674 1 57 2 7.792 . 20.96999624560 . . . . . . . . . . . 27674 1 58 1 123.295 . 9.69518163531 . . . . . . . . . . . 27674 1 58 2 7.639 . 20.00719064710 . . . . . . . . . . . 27674 1 59 1 117.218 . 8.86588190495 . . . . . . . . . . . 27674 1 59 2 7.601 . 19.78919219340 . . . . . . . . . . . 27674 1 60 1 117.558 . 8.22363876632 . . . . . . . . . . . 27674 1 60 2 7.367 . 17.58637928030 . . . . . . . . . . . 27674 1 61 1 117.189 . 11.44305906690 . . . . . . . . . . . 27674 1 61 2 8.163 . 22.64988881730 . . . . . . . . . . . 27674 1 62 1 117.123 . 10.85714859390 . . . . . . . . . . . 27674 1 62 2 8.201 . 22.07880310990 . . . . . . . . . . . 27674 1 63 1 119.585 . 12.07540592640 . . . . . . . . . . . 27674 1 63 2 8.681 . 25.12124873230 . . . . . . . . . . . 27674 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 . . 118.439 . . 1 . 1 1 6 ARG N . . . . . . . . . . 37 . 27674 1 1 2 1 . . 8.622 . . 1 . 1 1 6 ARG H . . . . . . . . . . 38 . 27674 1 2 1 1 . . 118.227 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 1 2 2 1 . . 8.514 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 1 3 1 1 . . 109.669 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 1 3 2 1 . . 8.496 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 1 4 1 1 . . 109.971 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 1 4 2 1 . . 8.493 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 1 5 1 1 . . 122.113 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 1 5 2 1 . . 8.426 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 1 6 1 1 . . 121.594 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 1 6 2 1 . . 8.394 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 1 7 1 1 . . 120.704 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 1 7 2 1 . . 8.390 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 1 8 1 1 . . 110.054 . . 1 . . . . . . . . . . . . . . . . 129 . 27674 1 8 2 1 . . 8.392 . . 1 . . . . . . . . . . . . . . . . 130 . 27674 1 9 1 2 . . 109.472 . . 1 . 1 1 50 GLY N . . . . . . . . . . 286 . 27674 1 9 2 2 . . 8.368 . . 1 . 1 1 50 GLY H . . . . . . . . . . 285 . 27674 1 10 1 1 . . 117.524 . . 1 . . . . . . . . . . . . . . . . 43 . 27674 1 10 2 1 . . 8.353 . . 1 . . . . . . . . . . . . . . . . 44 . 27674 1 11 1 1 . . 122.032 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 1 11 2 1 . . 8.349 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 1 12 1 1 . . 122.123 . . 1 . . . . . . . . . . . . . . . . 87 . 27674 1 12 2 1 . . 8.338 . . 1 . . . . . . . . . . . . . . . . 88 . 27674 1 13 1 1 . . 110.607 . . 1 . . . . . . . . . . . . . . . . 107 . 27674 1 13 2 1 . . 8.336 . . 1 . . . . . . . . . . . . . . . . 108 . 27674 1 14 1 1 . . 122.251 . . 1 . 1 1 65 GLN N . . . . . . . . . . 127 . 27674 1 14 2 1 . . 8.316 . . 1 . 1 1 65 GLN H . . . . . . . . . . 128 . 27674 1 15 1 1 . . 121.894 . . 1 . . . . . . . . . . . . . . . . 53 . 27674 1 15 2 1 . . 8.316 . . 1 . . . . . . . . . . . . . . . . 54 . 27674 1 16 1 1 . . 110.139 . . 1 . . . . . . . . . . . . . . . . 31 . 27674 1 16 2 1 . . 8.307 . . 1 . . . . . . . . . . . . . . . . 32 . 27674 1 17 1 1 . . 107.484 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 1 17 2 1 . . 8.307 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 1 18 1 1 . . 115.895 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 1 18 2 1 . . 8.298 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 1 19 1 1 . . 117.705 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 1 19 2 1 . . 8.286 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 1 20 1 1 . . 125.850 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 1 20 2 1 . . 8.275 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 1 21 1 1 . . 122.322 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 1 21 2 1 . . 8.252 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 1 22 1 1 . . 120.839 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 1 22 2 1 . . 8.251 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 1 23 1 1 . . 116.934 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 1 23 2 1 . . 8.244 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 1 24 1 1 . . 120.500 . . 1 . . . . . . . . . . . . . . . . 81 . 27674 1 24 2 1 . . 8.240 . . 1 . . . . . . . . . . . . . . . . 82 . 27674 1 25 1 1 . . 108.742 . . 1 . 1 1 53 GLY N . . . . . . . . . . 15 . 27674 1 25 2 1 . . 8.240 . . 1 . 1 1 53 GLY H . . . . . . . . . . 16 . 27674 1 26 1 1 . . 117.667 . . 1 . . . . . . . . . . . . . . . . 73 . 27674 1 26 2 1 . . 8.231 . . 1 . . . . . . . . . . . . . . . . 74 . 27674 1 27 1 1 . . 125.599 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 1 27 2 1 . . 8.226 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 1 28 1 1 . . 120.775 . . 1 . . . . . . . . . . . . . . . . 115 . 27674 1 28 2 1 . . 8.220 . . 1 . . . . . . . . . . . . . . . . 116 . 27674 1 29 1 1 . . 110.028 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 1 29 2 1 . . 8.213 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 1 30 1 1 . . 119.557 . . 1 . 1 1 19 GLN N . . . . . . . . . . 131 . 27674 1 30 2 1 . . 8.209 . . 1 . 1 1 19 GLN H . . . . . . . . . . 132 . 27674 1 31 1 1 . . 116.497 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 1 31 2 1 . . 8.209 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 1 32 1 1 . . 108.958 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 1 32 2 1 . . 8.201 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 1 33 1 1 . . 120.765 . . 1 . 1 1 51 LYS N . . . . . . . . . . 93 . 27674 1 33 2 1 . . 8.190 . . 1 . 1 1 51 LYS H . . . . . . . . . . 94 . 27674 1 34 1 1 . . 124.315 . . 1 . 1 1 70 VAL N . . . . . . . . . . 47 . 27674 1 34 2 1 . . 8.185 . . 1 . 1 1 70 VAL H . . . . . . . . . . 48 . 27674 1 35 1 1 . . 115.658 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 1 35 2 1 . . 8.177 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 1 36 1 1 . . 125.423 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 1 36 2 1 . . 8.145 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 1 37 1 1 . . 119.043 . . 1 . 1 1 9 GLN N . . . . . . . . . . 103 . 27674 1 37 2 1 . . 8.144 . . 1 . 1 1 9 GLN H . . . . . . . . . . 104 . 27674 1 38 1 1 . . 114.423 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 1 38 2 1 . . 8.125 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 1 39 1 1 . . 122.962 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 1 39 2 1 . . 8.113 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 1 40 1 1 . . 116.987 . . 1 . 1 1 64 SER N . . . . . . . . . . 25 . 27674 1 40 2 1 . . 8.117 . . 1 . 1 1 64 SER H . . . . . . . . . . 26 . 27674 1 41 1 1 . . 119.119 . . 1 . 1 1 17 CYS N . . . . . . . . . . 19 . 27674 1 41 2 1 . . 8.106 . . 1 . 1 1 17 CYS H . . . . . . . . . . 20 . 27674 1 42 1 1 . . 122.366 . . 1 . 1 1 10 ALA N . . . . . . . . . . 23 . 27674 1 42 2 1 . . 8.094 . . 1 . 1 1 10 ALA H . . . . . . . . . . 24 . 27674 1 43 1 1 . . 115.371 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 1 43 2 1 . . 8.087 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 1 44 1 1 . . 123.715 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 1 44 2 1 . . 8.066 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 1 45 1 1 . . 117.148 . . 1 . 1 1 13 SER N . . . . . . . . . . 89 . 27674 1 45 2 1 . . 8.060 . . 1 . 1 1 13 SER H . . . . . . . . . . 90 . 27674 1 46 1 1 . . 119.488 . . 1 . 1 1 8 ARG N . . . . . . . . . . 71 . 27674 1 46 2 1 . . 8.046 . . 1 . 1 1 8 ARG H . . . . . . . . . . 72 . 27674 1 47 1 1 . . 121.862 . . 1 . 1 1 37 TYR N . . . . . . . . . . 99 . 27674 1 47 2 1 . . 8.041 . . 1 . 1 1 37 TYR H . . . . . . . . . . 100 . 27674 1 48 1 1 . . 120.178 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 1 48 2 1 . . 8.034 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 1 49 1 1 . . 114.564 . . 1 . 1 1 12 THR N . . . . . . . . . . 45 . 27674 1 49 2 1 . . 8.030 . . 1 . 1 1 12 THR H . . . . . . . . . . 46 . 27674 1 50 1 1 . . 112.946 . . 1 . 1 1 11 SER N . . . . . . . . . . 111 . 27674 1 50 2 1 . . 8.021 . . 1 . 1 1 11 SER H . . . . . . . . . . 112 . 27674 1 51 1 1 . . 118.574 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 1 51 2 1 . . 8.002 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 1 52 1 1 . . 112.843 . . 1 . 1 1 25 THR N . . . . . . . . . . 63 . 27674 1 52 2 1 . . 7.976 . . 1 . 1 1 25 THR H . . . . . . . . . . 64 . 27674 1 53 1 1 . . 119.900 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 1 53 2 1 . . 7.963 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 1 54 1 1 . . 109.401 . . 1 . 1 1 71 ASP N . . . . . . . . . . 77 . 27674 1 54 2 1 . . 7.884 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 1 55 1 1 . . 115.828 . . 1 . 1 1 16 CYS N . . . . . . . . . . 67 . 27674 1 55 2 1 . . 7.879 . . 1 . 1 1 16 CYS H . . . . . . . . . . 68 . 27674 1 56 1 1 . . 121.036 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 1 56 2 1 . . 7.836 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 1 57 1 1 . . 117.850 . . 1 . 1 1 15 LEU N . . . . . . . . . . 105 . 27674 1 57 2 1 . . 7.792 . . 1 . 1 1 15 LEU H . . . . . . . . . . 106 . 27674 1 58 1 1 . . 123.295 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 1 58 2 1 . . 7.639 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 1 59 1 1 . . 117.218 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 1 59 2 1 . . 7.601 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 1 60 1 1 . . 117.558 . . 1 . . . . . . . . . . . . . . . . 29 . 27674 1 60 2 1 . . 7.367 . . 1 . . . . . . . . . . . . . . . . 30 . 27674 1 61 1 1 . . 117.189 . . 1 . . . . . . . . . . . . . . . . 121 . 27674 1 61 2 1 . . 8.163 . . 1 . . . . . . . . . . . . . . . . 122 . 27674 1 62 1 1 . . 117.123 . . 1 . . . . . . . . . . . . . . . . 75 . 27674 1 62 2 1 . . 8.201 . . 1 . . . . . . . . . . . . . . . . 76 . 27674 1 63 1 1 . . 119.585 . . 1 . 1 1 2 PHE N . . . . . . . . . . 179 . 27674 1 63 2 1 . . 8.681 . . 1 . 1 1 2 PHE H . . . . . . . . . . 180 . 27674 1 stop_ save_ save_peak_list_1_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2 _Spectral_peak_list.Entry_ID 27674 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _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 . . C 13 13C . . 1479.10095215 . . . . . . . 27674 2 2 . . H 1 1H . . 4208.75390625 . . . . . . . 27674 2 3 . . N 15 15N . . 1362.31396484 . . . . . . . 27674 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27674 2 2 1.0 . . 27674 2 3 1.0 . . 27674 2 4 1.0 . . 27674 2 5 1.0 . . 27674 2 6 1.0 . . 27674 2 7 1.0 . . 27674 2 8 1.0 . . 27674 2 9 1.0 . . 27674 2 10 1.0 . . 27674 2 11 1.0 . . 27674 2 12 1.0 . . 27674 2 13 1.0 . . 27674 2 14 1.0 . . 27674 2 15 1.0 . . 27674 2 16 1.0 . . 27674 2 17 1.0 . . 27674 2 18 1.0 . . 27674 2 19 1.0 . . 27674 2 20 1.0 . . 27674 2 21 1.0 . . 27674 2 22 1.0 . . 27674 2 23 1.0 . . 27674 2 24 1.0 . . 27674 2 25 1.0 . . 27674 2 26 1.0 . . 27674 2 27 1.0 . . 27674 2 28 1.0 . . 27674 2 29 1.0 . . 27674 2 30 1.0 . . 27674 2 31 1.0 . . 27674 2 32 1.0 . . 27674 2 33 1.0 . . 27674 2 34 1.0 . . 27674 2 35 1.0 . . 27674 2 36 1.0 . . 27674 2 37 1.0 . . 27674 2 38 1.0 . . 27674 2 39 1.0 . . 27674 2 40 1.0 . . 27674 2 41 1.0 . . 27674 2 42 1.0 . . 27674 2 43 1.0 . . 27674 2 44 1.0 . . 27674 2 45 1.0 . . 27674 2 46 1.0 . . 27674 2 47 1.0 . . 27674 2 48 1.0 . . 27674 2 49 1.0 . . 27674 2 50 1.0 . . 27674 2 51 1.0 . . 27674 2 52 1.0 . . 27674 2 53 1.0 . . 27674 2 54 1.0 . . 27674 2 55 1.0 . . 27674 2 56 1.0 . . 27674 2 57 1.0 . . 27674 2 58 1.0 . . 27674 2 59 1.0 . . 27674 2 60 1.0 . . 27674 2 61 1.0 . . 27674 2 62 1.0 . . 27674 2 63 1.0 . . 27674 2 64 1.0 . . 27674 2 65 1.0 . . 27674 2 66 1.0 . . 27674 2 67 1.0 . . 27674 2 68 1.0 . . 27674 2 69 1.0 . . 27674 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 187132576.0000 . height 27674 2 1 2750661994.0000 . volume 27674 2 2 81463464.0000 . height 27674 2 2 1277847732.0000 . volume 27674 2 3 148114864.0000 . height 27674 2 3 2232793004.0000 . volume 27674 2 4 34896452.0000 . height 27674 2 4 575064117.0000 . volume 27674 2 5 127382616.0000 . height 27674 2 5 1877360970.0000 . volume 27674 2 6 89762584.0000 . height 27674 2 6 1320853889.0000 . volume 27674 2 7 265393568.0000 . height 27674 2 7 3763035656.0000 . volume 27674 2 8 174204736.0000 . height 27674 2 8 2485234004.0000 . volume 27674 2 9 285659456.0000 . height 27674 2 9 3894828040.0000 . volume 27674 2 10 100266808.0000 . height 27674 2 10 1464096058.0000 . volume 27674 2 11 114875920.0000 . height 27674 2 11 1696723080.0000 . volume 27674 2 12 12857649.0000 . height 27674 2 12 93750441.0000 . volume 27674 2 13 41342128.0000 . height 27674 2 13 737062433.0000 . volume 27674 2 14 59935344.0000 . height 27674 2 14 904136115.0000 . volume 27674 2 15 58628428.0000 . height 27674 2 15 910361558.0000 . volume 27674 2 16 82634472.0000 . height 27674 2 16 1190316166.0000 . volume 27674 2 17 41274420.0000 . height 27674 2 17 629008964.5000 . volume 27674 2 18 59492328.0000 . height 27674 2 18 920251718.0000 . volume 27674 2 19 19202976.0000 . height 27674 2 19 318539677.2500 . volume 27674 2 20 43803184.0000 . height 27674 2 20 634958944.0000 . volume 27674 2 21 137852992.0000 . height 27674 2 21 2131755382.0000 . volume 27674 2 22 282394496.0000 . height 27674 2 22 3907128088.0000 . volume 27674 2 23 32648744.0000 . height 27674 2 23 531401761.0000 . volume 27674 2 24 44981900.0000 . height 27674 2 24 695023297.0000 . volume 27674 2 25 463895424.0000 . height 27674 2 25 6981866360.0000 . volume 27674 2 26 82166184.0000 . height 27674 2 26 1207071178.0000 . volume 27674 2 27 159162640.0000 . height 27674 2 27 2242384116.0000 . volume 27674 2 28 134428416.0000 . height 27674 2 28 1909549974.0000 . volume 27674 2 29 122316096.0000 . height 27674 2 29 1753129086.0000 . volume 27674 2 30 47739216.0000 . height 27674 2 30 733205228.0000 . volume 27674 2 31 87353600.0000 . height 27674 2 31 1335009353.0000 . volume 27674 2 32 188158352.0000 . height 27674 2 32 2681023716.0000 . volume 27674 2 33 148492864.0000 . height 27674 2 33 2141658648.0000 . volume 27674 2 34 125903616.0000 . height 27674 2 34 1849013178.0000 . volume 27674 2 35 55371328.0000 . height 27674 2 35 847998728.0000 . volume 27674 2 36 303452480.0000 . height 27674 2 36 4480047116.0000 . volume 27674 2 37 24609116.0000 . height 27674 2 37 326904941.7500 . volume 27674 2 38 31012504.0000 . height 27674 2 38 542050669.0000 . volume 27674 2 39 9950976.0000 . height 27674 2 39 179902878.5000 . volume 27674 2 40 21750992.0000 . height 27674 2 40 80772165.5625 . volume 27674 2 41 10776626.0000 . height 27674 2 41 96313984.7969 . volume 27674 2 42 95032352.0000 . height 27674 2 42 1552644176.0000 . volume 27674 2 43 336763456.0000 . height 27674 2 43 4639653188.0000 . volume 27674 2 44 52835904.0000 . height 27674 2 44 793213905.0000 . volume 27674 2 45 55068544.0000 . height 27674 2 45 790619389.0000 . volume 27674 2 46 145345184.0000 . height 27674 2 46 2090264956.0000 . volume 27674 2 47 230107904.0000 . height 27674 2 47 3299126932.0000 . volume 27674 2 48 123578376.0000 . height 27674 2 48 1811650732.0000 . volume 27674 2 49 153107488.0000 . height 27674 2 49 2182730068.0000 . volume 27674 2 50 111956968.0000 . height 27674 2 50 1691971040.0000 . volume 27674 2 51 132124712.0000 . height 27674 2 51 1905304156.0000 . volume 27674 2 52 222059280.0000 . height 27674 2 52 3130730912.0000 . volume 27674 2 53 39893252.0000 . height 27674 2 53 633047738.5000 . volume 27674 2 54 54052944.0000 . height 27674 2 54 837693077.0000 . volume 27674 2 55 92331104.0000 . height 27674 2 55 1420180954.0000 . volume 27674 2 56 54361716.0000 . height 27674 2 56 829553342.0000 . volume 27674 2 57 200243920.0000 . height 27674 2 57 2930637276.0000 . volume 27674 2 58 233900768.0000 . height 27674 2 58 3340227776.0000 . volume 27674 2 59 279265440.0000 . height 27674 2 59 4003018064.0000 . volume 27674 2 60 94144152.0000 . height 27674 2 60 1445248824.0000 . volume 27674 2 61 14275698.0000 . height 27674 2 61 239269786.0000 . volume 27674 2 62 108652840.0000 . height 27674 2 62 1591788132.0000 . volume 27674 2 63 107481552.0000 . height 27674 2 63 1568406942.0000 . volume 27674 2 64 18082916.0000 . height 27674 2 64 270944155.5000 . volume 27674 2 65 164582128.0000 . height 27674 2 65 2362799980.0000 . volume 27674 2 66 24124518.0000 . height 27674 2 66 364028113.5000 . volume 27674 2 67 6682165.5000 . height 27674 2 67 112711474.7500 . volume 27674 2 68 6538503.5000 . height 27674 2 68 108286593.7500 . volume 27674 2 69 549984128.0000 . height 27674 2 69 7827798728.0000 . volume 27674 2 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 1 176.003 . 32.4449404602 . . . . . . . . . . . 27674 2 1 2 8.213 . 17.6300291433 . . . . . . . . . . . 27674 2 1 3 110.004 . 24.5349773010 . . . . . . . . . . . 27674 2 2 1 177.251 . 32.8992796519 . . . . . . . . . . . 27674 2 2 2 8.495 . 21.6613699375 . . . . . . . . . . . 27674 2 2 3 109.929 . 26.6906812711 . . . . . . . . . . . 27674 2 3 1 178.281 . 33.3520760211 . . . . . . . . . . . 27674 2 3 2 8.309 . 18.6448884577 . . . . . . . . . . . 27674 2 3 3 107.480 . 25.1392694867 . . . . . . . . . . . 27674 2 4 1 177.939 . 37.7965068939 . . . . . . . . . . . 27674 2 4 2 8.002 . 21.6983719765 . . . . . . . . . . . 27674 2 4 3 118.544 . 26.7026177064 . . . . . . . . . . . 27674 2 5 1 176.552 . 32.6530892584 . . . . . . . . . . . 27674 2 5 2 8.299 . 18.2298384674 . . . . . . . . . . . 27674 2 5 3 115.891 . 24.3808592455 . . . . . . . . . . . 27674 2 6 1 174.472 . 33.9333674659 . . . . . . . . . . . 27674 2 6 2 7.604 . 19.1101107043 . . . . . . . . . . . 27674 2 6 3 117.181 . 23.5842036914 . . . . . . . . . . . 27674 2 7 1 176.532 . 31.8667787411 . . . . . . . . . . . 27674 2 7 2 8.086 . 17.5848741126 . . . . . . . . . . . 27674 2 7 3 115.359 . 23.8057991462 . . . . . . . . . . . 27674 2 8 1 174.761 . 32.6024846798 . . . . . . . . . . . 27674 2 8 2 8.241 . 19.1181382653 . . . . . . . . . . . 27674 2 8 3 108.738 . 23.7310949255 . . . . . . . . . . . 27674 2 9 1 176.480 . 31.4598262410 . . . . . . . . . . . 27674 2 9 2 8.032 . 15.0107865029 . . . . . . . . . . . 27674 2 9 3 120.154 . 24.1602381936 . . . . . . . . . . . 27674 2 10 1 175.194 . 34.5504964738 . . . . . . . . . . . 27674 2 10 2 8.105 . 17.9926491258 . . . . . . . . . . . 27674 2 10 3 119.094 . 24.0964960053 . . . . . . . . . . . 27674 2 11 1 176.665 . 32.5539518914 . . . . . . . . . . . 27674 2 11 2 8.370 . 18.8768097125 . . . . . . . . . . . 27674 2 11 3 109.457 . 24.2493960571 . . . . . . . . . . . 27674 2 12 1 176.656 . 32.9337947957 . . . . . . . . . . . 27674 2 12 2 8.119 . 14.7768583578 . . . . . . . . . . . 27674 2 12 3 122.371 . 13.8191034355 . . . . . . . . . . . 27674 2 13 1 177.169 . 43.1308377961 . . . . . . . . . . . 27674 2 13 2 8.091 . 19.8837668966 . . . . . . . . . . . 27674 2 13 3 122.370 . 30.5461904641 . . . . . . . . . . . 27674 2 14 1 175.960 . 31.4767532081 . . . . . . . . . . . 27674 2 14 2 8.115 . 21.2058058502 . . . . . . . . . . . 27674 2 14 3 116.962 . 25.0948529554 . . . . . . . . . . . 27674 2 15 1 174.376 . 34.1812770045 . . . . . . . . . . . 27674 2 15 2 8.434 . 20.9237123391 . . . . . . . . . . . 27674 2 15 3 122.041 . 25.4985399483 . . . . . . . . . . . 27674 2 16 1 174.786 . 31.3842720182 . . . . . . . . . . . 27674 2 16 2 8.425 . 18.6440104432 . . . . . . . . . . . 27674 2 16 3 122.092 . 24.9065495990 . . . . . . . . . . . 27674 2 17 1 175.067 . 31.5201285612 . . . . . . . . . . . 27674 2 17 2 8.309 . 21.4811261067 . . . . . . . . . . . 27674 2 17 3 110.129 . 25.7181459972 . . . . . . . . . . . 27674 2 18 1 174.850 . 33.4963519670 . . . . . . . . . . . 27674 2 18 2 8.288 . 22.0538424124 . . . . . . . . . . . 27674 2 18 3 117.701 . 25.1683797727 . . . . . . . . . . . 27674 2 19 1 177.738 . 34.7751755133 . . . . . . . . . . . 27674 2 19 2 8.623 . 25.7041249200 . . . . . . . . . . . 27674 2 19 3 118.426 . 27.0418723089 . . . . . . . . . . . 27674 2 20 1 172.956 . 32.2037311794 . . . . . . . . . . . 27674 2 20 2 7.836 . 16.6916825197 . . . . . . . . . . . 27674 2 20 3 121.027 . 24.4176429542 . . . . . . . . . . . 27674 2 21 1 175.976 . 32.1007587964 . . . . . . . . . . . 27674 2 21 2 8.253 . 18.4156012464 . . . . . . . . . . . 27674 2 21 3 120.817 . 26.9590074640 . . . . . . . . . . . 27674 2 22 1 174.259 . 31.4509219511 . . . . . . . . . . . 27674 2 22 2 8.221 . 17.2627682271 . . . . . . . . . . . 27674 2 22 3 120.758 . 23.9584149972 . . . . . . . . . . . 27674 2 23 1 174.802 . 31.8838820307 . . . . . . . . . . . 27674 2 23 2 8.353 . 25.2825525363 . . . . . . . . . . . 27674 2 23 3 117.519 . 26.3857337700 . . . . . . . . . . . 27674 2 24 1 175.556 . 35.2189353506 . . . . . . . . . . . 27674 2 24 2 8.030 . 19.8576773233 . . . . . . . . . . . 27674 2 24 3 114.552 . 25.3731261777 . . . . . . . . . . . 27674 2 25 1 175.794 . 31.7391211978 . . . . . . . . . . . 27674 2 25 2 8.183 . 18.4835846537 . . . . . . . . . . . 27674 2 25 3 124.303 . 23.9468744131 . . . . . . . . . . . 27674 2 26 1 176.936 . 32.9318111668 . . . . . . . . . . . 27674 2 26 2 8.514 . 20.0766792221 . . . . . . . . . . . 27674 2 26 3 118.213 . 24.2847181614 . . . . . . . . . . . 27674 2 27 1 176.807 . 31.8481326289 . . . . . . . . . . . 27674 2 27 2 8.340 . 17.4667184490 . . . . . . . . . . . 27674 2 27 3 122.110 . 24.1263776936 . . . . . . . . . . . 27674 2 28 1 176.607 . 32.9021008131 . . . . . . . . . . . 27674 2 28 2 8.176 . 17.9923982645 . . . . . . . . . . . 27674 2 28 3 115.643 . 23.8368176379 . . . . . . . . . . . 27674 2 29 1 174.472 . 32.4430890732 . . . . . . . . . . . 27674 2 29 2 8.277 . 18.4760588153 . . . . . . . . . . . 27674 2 29 3 125.834 . 23.8912573238 . . . . . . . . . . . 27674 2 30 1 173.955 . 35.1931040936 . . . . . . . . . . . 27674 2 30 2 7.637 . 19.9055918281 . . . . . . . . . . . 27674 2 30 3 123.281 . 24.7090097152 . . . . . . . . . . . 27674 2 31 1 176.409 . 32.3901041398 . . . . . . . . . . . 27674 2 31 2 8.245 . 19.0241907154 . . . . . . . . . . . 27674 2 31 3 116.920 . 25.5141709945 . . . . . . . . . . . 27674 2 32 1 174.585 . 32.1361996337 . . . . . . . . . . . 27674 2 32 2 7.975 . 18.6140325201 . . . . . . . . . . . 27674 2 32 3 112.825 . 23.5285815271 . . . . . . . . . . . 27674 2 33 1 174.253 . 32.3471695931 . . . . . . . . . . . 27674 2 33 2 8.319 . 18.4705398671 . . . . . . . . . . . 27674 2 33 3 122.239 . 24.7978833779 . . . . . . . . . . . 27674 2 34 1 176.363 . 30.8328231690 . . . . . . . . . . . 27674 2 34 2 8.352 . 17.3779135554 . . . . . . . . . . . 27674 2 34 3 122.007 . 24.7557810534 . . . . . . . . . . . 27674 2 35 1 177.191 . 34.9157927658 . . . . . . . . . . . 27674 2 35 2 7.879 . 20.4571103555 . . . . . . . . . . . 27674 2 35 3 115.791 . 25.3844942113 . . . . . . . . . . . 27674 2 36 1 176.655 . 32.1942097604 . . . . . . . . . . . 27674 2 36 2 8.111 . 17.3900803275 . . . . . . . . . . . 27674 2 36 3 122.951 . 24.2551612741 . . . . . . . . . . . 27674 2 37 1 177.188 . 39.5557212922 . . . . . . . . . . . 27674 2 37 2 8.039 . 18.3517570503 . . . . . . . . . . . 27674 2 37 3 119.653 . 31.0966062906 . . . . . . . . . . . 27674 2 38 1 174.534 . 33.6514276706 . . . . . . . . . . . 27674 2 38 2 8.232 . 20.8707806087 . . . . . . . . . . . 27674 2 38 3 117.606 . 32.2028377595 . . . . . . . . . . . 27674 2 39 1 176.249 . 34.6606099210 . . . . . . . . . . . 27674 2 39 2 8.199 . 15.1146430734 . . . . . . . . . . . 27674 2 39 3 117.082 . 35.1161399683 . . . . . . . . . . . 27674 2 40 1 174.796 . 32.8957972811 . . . . . . . . . . . 27674 2 40 2 7.892 . 14.3741005703 . . . . . . . . . . . 27674 2 40 3 109.615 . 11.0658874997 . . . . . . . . . . . 27674 2 41 1 174.785 . 34.4211638660 . . . . . . . . . . . 27674 2 41 2 7.892 . 13.7465710746 . . . . . . . . . . . 27674 2 41 3 109.200 . 12.6936275097 . . . . . . . . . . . 27674 2 42 1 175.310 . 32.6559985809 . . . . . . . . . . . 27674 2 42 2 8.241 . 18.7716988355 . . . . . . . . . . . 27674 2 42 3 120.506 . 28.7032698183 . . . . . . . . . . . 27674 2 43 1 174.037 . 31.4108085656 . . . . . . . . . . . 27674 2 43 2 8.145 . 16.7749684652 . . . . . . . . . . . 27674 2 43 3 125.408 . 23.4847435475 . . . . . . . . . . . 27674 2 44 1 175.822 . 35.3249052174 . . . . . . . . . . . 27674 2 44 2 7.962 . 19.4369829542 . . . . . . . . . . . 27674 2 44 3 119.870 . 24.1694544208 . . . . . . . . . . . 27674 2 45 1 176.275 . 35.1601317723 . . . . . . . . . . . 27674 2 45 2 8.062 . 18.7365782561 . . . . . . . . . . . 27674 2 45 3 117.205 . 24.0664925166 . . . . . . . . . . . 27674 2 46 1 175.769 . 31.9474463186 . . . . . . . . . . . 27674 2 46 2 8.059 . 17.9986697965 . . . . . . . . . . . 27674 2 46 3 117.131 . 24.6212525559 . . . . . . . . . . . 27674 2 47 1 175.912 . 31.5182771742 . . . . . . . . . . . 27674 2 47 2 8.396 . 16.2756290843 . . . . . . . . . . . 27674 2 47 3 121.595 . 24.7794306233 . . . . . . . . . . . 27674 2 48 1 174.252 . 31.9299022225 . . . . . . . . . . . 27674 2 48 2 8.189 . 44.7389772398 . . . . . . . . . . . 27674 2 48 3 120.752 . 23.7421381581 . . . . . . . . . . . 27674 2 49 1 174.538 . 32.7934420271 . . . . . . . . . . . 27674 2 49 2 8.227 . 17.2396889892 . . . . . . . . . . . 27674 2 49 3 125.577 . 24.0883455312 . . . . . . . . . . . 27674 2 50 1 175.134 . 33.2729512662 . . . . . . . . . . . 27674 2 50 2 8.253 . 18.5291159763 . . . . . . . . . . . 27674 2 50 3 122.305 . 24.6126656305 . . . . . . . . . . . 27674 2 51 1 174.387 . 31.6197508154 . . . . . . . . . . . 27674 2 51 2 8.040 . 18.6924266706 . . . . . . . . . . . 27674 2 51 3 121.838 . 24.0352304242 . . . . . . . . . . . 27674 2 52 1 177.286 . 32.1725220839 . . . . . . . . . . . 27674 2 52 2 8.202 . 16.6578162467 . . . . . . . . . . . 27674 2 52 3 108.932 . 23.8456684641 . . . . . . . . . . . 27674 2 53 1 177.525 . 35.6036712064 . . . . . . . . . . . 27674 2 53 2 8.141 . 19.9202672130 . . . . . . . . . . . 27674 2 53 3 119.030 . 25.8115668733 . . . . . . . . . . . 27674 2 54 1 176.679 . 34.5374486033 . . . . . . . . . . . 27674 2 54 2 7.793 . 21.2513371728 . . . . . . . . . . . 27674 2 54 3 117.836 . 25.0084153000 . . . . . . . . . . . 27674 2 55 1 175.153 . 32.1447512785 . . . . . . . . . . . 27674 2 55 2 8.340 . 19.6478318613 . . . . . . . . . . . 27674 2 55 3 110.582 . 25.9429082614 . . . . . . . . . . . 27674 2 56 1 178.539 . 37.1424823875 . . . . . . . . . . . 27674 2 56 2 8.018 . 19.6889731114 . . . . . . . . . . . 27674 2 56 3 112.936 . 24.9140200210 . . . . . . . . . . . 27674 2 57 1 176.716 . 32.8690403305 . . . . . . . . . . . 27674 2 57 2 8.390 . 17.4313470083 . . . . . . . . . . . 27674 2 57 3 120.704 . 24.3750128283 . . . . . . . . . . . 27674 2 58 1 174.438 . 32.7492732224 . . . . . . . . . . . 27674 2 58 2 8.393 . 16.5730251336 . . . . . . . . . . . 27674 2 58 3 120.700 . 24.1282452991 . . . . . . . . . . . 27674 2 59 1 173.980 . 31.7429121331 . . . . . . . . . . . 27674 2 59 2 8.064 . 17.5984206218 . . . . . . . . . . . 27674 2 59 3 123.706 . 23.8999102243 . . . . . . . . . . . 27674 2 60 1 175.377 . 33.5672336417 . . . . . . . . . . . 27674 2 60 2 8.496 . 18.5476797111 . . . . . . . . . . . 27674 2 60 3 109.659 . 26.6099682326 . . . . . . . . . . . 27674 2 61 1 175.961 . 30.8895990378 . . . . . . . . . . . 27674 2 61 2 8.161 . 17.7742743802 . . . . . . . . . . . 27674 2 61 3 117.174 . 36.0582657523 . . . . . . . . . . . 27674 2 62 1 177.749 . 32.7921196078 . . . . . . . . . . . 27674 2 62 2 8.125 . 19.7884396096 . . . . . . . . . . . 27674 2 62 3 114.415 . 24.2101763412 . . . . . . . . . . . 27674 2 63 1 176.761 . 31.8164827270 . . . . . . . . . . . 27674 2 63 2 8.210 . 17.7447981796 . . . . . . . . . . . 27674 2 63 3 116.487 . 24.8863713393 . . . . . . . . . . . 27674 2 64 1 176.877 . 30.6458330797 . . . . . . . . . . . 27674 2 64 2 8.395 . 18.5011449434 . . . . . . . . . . . 27674 2 64 3 110.008 . 27.0473127249 . . . . . . . . . . . 27674 2 65 1 174.490 . 33.6907476045 . . . . . . . . . . . 27674 2 65 2 8.210 . 16.8041938045 . . . . . . . . . . . 27674 2 65 3 119.551 . 24.1858162692 . . . . . . . . . . . 27674 2 66 1 175.907 . 31.9543228989 . . . . . . . . . . . 27674 2 66 2 8.316 . 14.4561322094 . . . . . . . . . . . 27674 2 66 3 121.969 . 29.4194762347 . . . . . . . . . . . 27674 2 67 1 174.350 . 37.7664438951 . . . . . . . . . . . 27674 2 67 2 7.368 . 17.4461478239 . . . . . . . . . . . 27674 2 67 3 117.535 . 30.8504883633 . . . . . . . . . . . 27674 2 68 1 173.852 . 33.4465408400 . . . . . . . . . . . 27674 2 68 2 8.677 . 28.6629083049 . . . . . . . . . . . 27674 2 68 3 119.626 . 28.5461473540 . . . . . . . . . . . 27674 2 69 1 174.794 . 31.4358463710 . . . . . . . . . . . 27674 2 69 2 7.885 . 16.0109704323 . . . . . . . . . . . 27674 2 69 3 110.194 . 24.1217492799 . . . . . . . . . . . 27674 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 . . 176.003 . . 1 . 1 1 43 GLN C . . . . . . . . . . 280 . 27674 2 1 2 1 . . 8.213 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 2 1 3 1 . . 110.004 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 2 2 1 1 . . 177.251 . . 1 . 1 1 51 LYS C . . . . . . . . . . 291 . 27674 2 2 2 1 . . 8.495 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 2 2 3 1 . . 109.929 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 2 3 1 1 . . 178.281 . . 1 . 1 1 23 ALA C . . . . . . . . . . 203 . 27674 2 3 2 1 . . 8.309 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 2 3 3 1 . . 107.480 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 2 4 1 1 . . 177.939 . . 1 . 1 1 6 ARG C . . . . . . . . . . 219 . 27674 2 4 2 1 . . 8.002 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 2 4 3 1 . . 118.544 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 2 5 1 1 . . 176.552 . . 1 . 1 1 19 GLN C . . . . . . . . . . 161 . 27674 2 5 2 1 . . 8.299 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 2 5 3 1 . . 115.891 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 2 6 1 1 . . 174.472 . . 1 . 1 1 2 PHE C . . . . . . . . . . 254 . 27674 2 6 2 1 . . 7.604 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 2 6 3 1 . . 117.181 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 2 7 1 1 . . 176.532 . . 1 . 1 1 66 GLU C . . . . . . . . . . 238 . 27674 2 7 2 1 . . 8.086 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 2 7 3 1 . . 115.359 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 2 8 1 1 . . 174.761 . . 1 . 1 1 52 GLY C . . . . . . . . . . 282 . 27674 2 8 2 1 . . 8.241 . . 1 . 1 1 53 GLY H . . . . . . . . . . 16 . 27674 2 8 3 1 . . 108.738 . . 1 . 1 1 53 GLY N . . . . . . . . . . 15 . 27674 2 9 1 1 . . 176.480 . . 1 . 1 1 62 PRO C . . . . . . . . . . 273 . 27674 2 9 2 1 . . 8.032 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 2 9 3 1 . . 120.154 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 2 10 1 1 . . 175.194 . . 1 . 1 1 16 CYS C . . . . . . . . . . 187 . 27674 2 10 2 1 . . 8.105 . . 1 . 1 1 17 CYS H . . . . . . . . . . 20 . 27674 2 10 3 1 . . 119.094 . . 1 . 1 1 17 CYS N . . . . . . . . . . 19 . 27674 2 11 1 1 . . 176.665 . . 1 . 1 1 49 MET C . . . . . . . . . . 288 . 27674 2 11 2 2 . . 8.370 . . 1 . 1 1 50 GLY H . . . . . . . . . . 285 . 27674 2 11 3 2 . . 109.457 . . 1 . 1 1 50 GLY N . . . . . . . . . . 286 . 27674 2 12 2 2 . . 8.119 . . 1 . . . . . . . . . . . . . . . . 177 . 27674 2 12 3 2 . . 122.371 . . 1 . . . . . . . . . . . . . . . . 178 . 27674 2 13 1 1 . . 177.169 . . 1 . 1 1 9 GLN C . . . . . . . . . . 215 . 27674 2 13 2 1 . . 8.091 . . 1 . 1 1 10 ALA H . . . . . . . . . . 24 . 27674 2 13 3 1 . . 122.370 . . 1 . 1 1 10 ALA N . . . . . . . . . . 23 . 27674 2 14 1 1 . . 175.960 . . 1 . 1 1 63 TYR C . . . . . . . . . . 274 . 27674 2 14 2 1 . . 8.115 . . 1 . 1 1 64 SER H . . . . . . . . . . 26 . 27674 2 14 3 1 . . 116.962 . . 1 . 1 1 64 SER N . . . . . . . . . . 25 . 27674 2 15 2 1 . . 8.434 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 2 15 3 1 . . 122.041 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 2 16 2 1 . . 8.425 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 2 16 3 1 . . 122.092 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 2 17 2 1 . . 8.309 . . 1 . . . . . . . . . . . . . . . . 32 . 27674 2 17 3 1 . . 110.129 . . 1 . . . . . . . . . . . . . . . . 31 . 27674 2 18 1 1 . . 174.850 . . 1 . 1 1 25 THR C . . . . . . . . . . 241 . 27674 2 18 2 1 . . 8.288 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 2 18 3 1 . . 117.701 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 2 19 1 1 . . 177.738 . . 1 . 1 1 5 PRO C . . . . . . . . . . 220 . 27674 2 19 2 1 . . 8.623 . . 1 . 1 1 6 ARG H . . . . . . . . . . 38 . 27674 2 19 3 1 . . 118.426 . . 1 . 1 1 6 ARG N . . . . . . . . . . 37 . 27674 2 20 2 1 . . 7.836 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 2 20 3 1 . . 121.027 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 2 21 2 1 . . 8.253 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 2 21 3 1 . . 120.817 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 2 22 1 1 . . 174.259 . . 1 . . . . . . . . . . . . . . . . 156 . 27674 2 22 2 2 . . 8.221 . . 1 . . . . . . . . . . . . . . . . 116 . 27674 2 22 3 2 . . 120.758 . . 1 . . . . . . . . . . . . . . . . 115 . 27674 2 23 2 1 . . 8.353 . . 1 . . . . . . . . . . . . . . . . 44 . 27674 2 23 3 1 . . 117.519 . . 1 . . . . . . . . . . . . . . . . 43 . 27674 2 24 1 1 . . 175.556 . . 1 . 1 1 11 SER C . . . . . . . . . . 214 . 27674 2 24 2 1 . . 8.030 . . 1 . 1 1 12 THR H . . . . . . . . . . 46 . 27674 2 24 3 1 . . 114.552 . . 1 . 1 1 12 THR N . . . . . . . . . . 45 . 27674 2 25 1 1 . . 175.794 . . 1 . 1 1 69 VAL C . . . . . . . . . . 230 . 27674 2 25 2 1 . . 8.183 . . 1 . 1 1 70 VAL H . . . . . . . . . . 48 . 27674 2 25 3 1 . . 124.303 . . 1 . 1 1 70 VAL N . . . . . . . . . . 47 . 27674 2 26 1 1 . . 176.936 . . 1 . 1 1 47 PRO C . . . . . . . . . . 304 . 27674 2 26 2 1 . . 8.514 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 2 26 3 1 . . 118.213 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 2 27 1 1 . . 176.807 . . 1 . . . . . . . . . . . . . . . . 155 . 27674 2 27 2 2 . . 8.340 . . 1 . . . . . . . . . . . . . . . . 88 . 27674 2 27 3 2 . . 122.110 . . 1 . . . . . . . . . . . . . . . . 87 . 27674 2 28 1 1 . . 176.607 . . 1 . 1 1 21 ARG C . . . . . . . . . . 139 . 27674 2 28 2 1 . . 8.176 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 2 28 3 1 . . 115.643 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 2 29 1 1 . . 174.472 . . 1 . 1 1 34 SER C . . . . . . . . . . 264 . 27674 2 29 2 1 . . 8.277 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 2 29 3 1 . . 125.834 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 2 30 1 1 . . 173.955 . . 1 . 1 1 3 PHE C . . . . . . . . . . 251 . 27674 2 30 2 1 . . 7.637 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 2 30 3 1 . . 123.281 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 2 31 2 1 . . 8.245 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 2 31 3 1 . . 116.920 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 2 32 1 1 . . 174.585 . . 1 . 1 1 24 GLY C . . . . . . . . . . 204 . 27674 2 32 2 1 . . 7.975 . . 1 . 1 1 25 THR H . . . . . . . . . . 64 . 27674 2 32 3 1 . . 112.825 . . 1 . 1 1 25 THR N . . . . . . . . . . 63 . 27674 2 33 2 2 . . 8.319 . . 1 . 1 1 65 GLN H . . . . . . . . . . 128 . 27674 2 33 3 2 . . 122.239 . . 1 . 1 1 65 GLN N . . . . . . . . . . 127 . 27674 2 34 2 1 . . 8.352 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 2 34 3 1 . . 122.007 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 2 35 1 1 . . 177.191 . . 1 . 1 1 15 LEU C . . . . . . . . . . 165 . 27674 2 35 2 1 . . 7.879 . . 1 . 1 1 16 CYS H . . . . . . . . . . 68 . 27674 2 35 3 1 . . 115.791 . . 1 . 1 1 16 CYS N . . . . . . . . . . 67 . 27674 2 36 1 1 . . 176.655 . . 1 . 1 1 68 LEU C . . . . . . . . . . 233 . 27674 2 36 2 1 . . 8.111 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 2 36 3 1 . . 122.951 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 2 37 1 1 . . 177.188 . . 1 . 1 1 7 PHE C . . . . . . . . . . 218 . 27674 2 37 2 1 . . 8.039 . . 1 . 1 1 8 ARG H . . . . . . . . . . 72 . 27674 2 37 3 1 . . 119.653 . . 1 . 1 1 8 ARG N . . . . . . . . . . 71 . 27674 2 38 2 1 . . 8.232 . . 1 . . . . . . . . . . . . . . . . 74 . 27674 2 38 3 1 . . 117.606 . . 1 . . . . . . . . . . . . . . . . 73 . 27674 2 39 2 1 . . 8.199 . . 1 . . . . . . . . . . . . . . . . 76 . 27674 2 39 3 1 . . 117.082 . . 1 . . . . . . . . . . . . . . . . 75 . 27674 2 40 2 1 . . 7.892 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 2 40 3 1 . . 109.615 . . 1 . 1 1 71 ASP N . . . . . . . . . . 77 . 27674 2 41 2 1 . . 7.892 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 2 41 3 1 . . 109.200 . . 1 . 1 1 71 ASP N . . . . . . . . . . 77 . 27674 2 42 2 1 . . 8.241 . . 1 . . . . . . . . . . . . . . . . 82 . 27674 2 42 3 1 . . 120.506 . . 1 . . . . . . . . . . . . . . . . 81 . 27674 2 43 1 1 . . 174.037 . . 1 . 1 1 67 THR C . . . . . . . . . . 235 . 27674 2 43 2 1 . . 8.145 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 2 43 3 1 . . 125.408 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 2 44 1 1 . . 175.822 . . 1 . 1 1 13 SER C . . . . . . . . . . 209 . 27674 2 44 2 1 . . 7.962 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 2 44 3 1 . . 119.870 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 2 45 1 1 . . 176.275 . . 1 . 1 1 12 THR C . . . . . . . . . . 213 . 27674 2 45 2 3 . . 8.062 . . 1 . 1 1 13 SER H . . . . . . . . . . 90 . 27674 2 45 3 3 . . 117.205 . . 1 . 1 1 13 SER N . . . . . . . . . . 89 . 27674 2 46 2 2 . . 8.059 . . 1 . . . . . . . . . . . . . . . . 167 . 27674 2 46 3 2 . . 117.131 . . 1 . . . . . . . . . . . . . . . . 166 . 27674 2 47 1 1 . . 175.912 . . 1 . 1 1 65 GLN C . . . . . . . . . . 310 . 27674 2 47 2 1 . . 8.396 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 2 47 3 1 . . 121.595 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 2 48 2 1 . . 8.189 . . 1 . 1 1 51 LYS H . . . . . . . . . . 94 . 27674 2 48 3 1 . . 120.752 . . 1 . 1 1 51 LYS N . . . . . . . . . . 93 . 27674 2 49 1 1 . . 174.538 . . 1 . 1 1 22 SER C . . . . . . . . . . 182 . 27674 2 49 2 1 . . 8.227 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 2 49 3 1 . . 125.577 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 2 50 1 1 . . 175.134 . . 1 . 1 1 20 SER C . . . . . . . . . . 159 . 27674 2 50 2 1 . . 8.253 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 2 50 3 1 . . 122.305 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 2 51 1 1 . . 174.387 . . 1 . 1 1 36 SER C . . . . . . . . . . 263 . 27674 2 51 2 1 . . 8.040 . . 1 . 1 1 37 TYR H . . . . . . . . . . 100 . 27674 2 51 3 1 . . 121.838 . . 1 . 1 1 37 TYR N . . . . . . . . . . 99 . 27674 2 52 1 1 . . 177.286 . . 1 . 1 1 45 PRO C . . . . . . . . . . 269 . 27674 2 52 2 1 . . 8.202 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 2 52 3 1 . . 108.932 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 2 53 1 1 . . 177.525 . . 1 . 1 1 8 ARG C . . . . . . . . . . 217 . 27674 2 53 2 1 . . 8.141 . . 1 . 1 1 9 GLN H . . . . . . . . . . 104 . 27674 2 53 3 1 . . 119.030 . . 1 . 1 1 9 GLN N . . . . . . . . . . 103 . 27674 2 54 1 1 . . 176.679 . . 1 . 1 1 14 MET C . . . . . . . . . . 150 . 27674 2 54 2 1 . . 7.793 . . 1 . 1 1 15 LEU H . . . . . . . . . . 106 . 27674 2 54 3 1 . . 117.836 . . 1 . 1 1 15 LEU N . . . . . . . . . . 105 . 27674 2 55 2 1 . . 8.340 . . 1 . . . . . . . . . . . . . . . . 108 . 27674 2 55 3 1 . . 110.582 . . 1 . . . . . . . . . . . . . . . . 107 . 27674 2 56 1 1 . . 178.539 . . 1 . 1 1 10 ALA C . . . . . . . . . . 216 . 27674 2 56 2 1 . . 8.018 . . 1 . 1 1 11 SER H . . . . . . . . . . 112 . 27674 2 56 3 1 . . 112.936 . . 1 . 1 1 11 SER N . . . . . . . . . . 111 . 27674 2 57 2 1 . . 8.390 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 2 57 3 1 . . 120.704 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 2 58 2 2 . . 8.393 . . 1 . . . . . . . . . . . . . . . . 145 . 27674 2 58 3 2 . . 120.700 . . 1 . . . . . . . . . . . . . . . . 144 . 27674 2 59 1 1 . . 173.980 . . 1 . . . . . . . . . . . . . . . . 297 . 27674 2 59 2 1 . . 8.064 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 2 59 3 1 . . 123.706 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 2 60 1 1 . . 175.377 . . 1 . 1 1 17 CYS C . . . . . . . . . . 185 . 27674 2 60 2 1 . . 8.496 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 2 60 3 1 . . 109.659 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 2 61 2 1 . . 8.161 . . 1 . . . . . . . . . . . . . . . . 122 . 27674 2 61 3 1 . . 117.174 . . 1 . . . . . . . . . . . . . . . . 121 . 27674 2 62 1 1 . . 177.749 . . 1 . 1 1 35 ALA C . . . . . . . . . . 265 . 27674 2 62 2 1 . . 8.125 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 2 62 3 1 . . 114.415 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 2 63 1 1 . . 176.761 . . 1 . . . . . . . . . . . . . . . . 153 . 27674 2 63 2 1 . . 8.210 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 2 63 3 1 . . 116.487 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 2 64 2 1 . . 8.395 . . 1 . . . . . . . . . . . . . . . . 130 . 27674 2 64 3 1 . . 110.008 . . 1 . . . . . . . . . . . . . . . . 129 . 27674 2 65 1 1 . . 174.490 . . 1 . 1 1 18 GLY C . . . . . . . . . . 163 . 27674 2 65 2 1 . . 8.210 . . 1 . 1 1 19 GLN H . . . . . . . . . . 132 . 27674 2 65 3 1 . . 119.551 . . 1 . 1 1 19 GLN N . . . . . . . . . . 131 . 27674 2 66 2 1 . . 8.316 . . 1 . . . . . . . . . . . . . . . . 54 . 27674 2 66 3 1 . . 121.969 . . 1 . . . . . . . . . . . . . . . . 53 . 27674 2 67 2 1 . . 7.368 . . 1 . . . . . . . . . . . . . . . . 30 . 27674 2 67 3 1 . . 117.535 . . 1 . . . . . . . . . . . . . . . . 29 . 27674 2 68 1 1 . . 173.852 . . 1 . 1 1 1 ALA C . . . . . . . . . . 258 . 27674 2 68 2 1 . . 8.677 . . 1 . 1 1 2 PHE H . . . . . . . . . . 180 . 27674 2 68 3 1 . . 119.626 . . 1 . 1 1 2 PHE N . . . . . . . . . . 179 . 27674 2 69 1 1 . . 174.794 . . 1 . 1 1 70 VAL C . . . . . . . . . . 227 . 27674 2 69 2 1 . . 7.885 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 2 69 3 1 . . 110.194 . . 1 . 1 1 71 ASP N . . . . . . . . . . 223 . 27674 2 stop_ save_ save_peak_list_1_2_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3 _Spectral_peak_list.Entry_ID 27674 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _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 . . C 13 13C . . 1479.10095215 . . . . . . . 27674 3 2 . . H 1 1H . . 4208.75390625 . . . . . . . 27674 3 3 . . N 15 15N . . 1362.31396484 . . . . . . . 27674 3 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27674 3 2 1.0 . . 27674 3 3 1.0 . . 27674 3 4 1.0 . . 27674 3 5 1.0 . . 27674 3 6 1.0 . . 27674 3 7 1.0 . . 27674 3 8 1.0 . . 27674 3 9 1.0 . . 27674 3 10 1.0 . . 27674 3 11 1.0 . . 27674 3 12 1.0 . . 27674 3 13 1.0 . . 27674 3 14 1.0 . . 27674 3 15 1.0 . . 27674 3 16 1.0 . . 27674 3 17 1.0 . . 27674 3 18 1.0 . . 27674 3 19 1.0 . . 27674 3 20 1.0 . . 27674 3 21 1.0 . . 27674 3 22 1.0 . . 27674 3 23 1.0 . . 27674 3 24 1.0 . . 27674 3 25 1.0 . . 27674 3 26 1.0 . . 27674 3 27 1.0 . . 27674 3 28 1.0 . . 27674 3 29 1.0 . . 27674 3 30 1.0 . . 27674 3 31 1.0 . . 27674 3 32 1.0 . . 27674 3 33 1.0 . . 27674 3 34 1.0 . . 27674 3 35 1.0 . . 27674 3 36 1.0 . . 27674 3 37 1.0 . . 27674 3 38 1.0 . . 27674 3 39 1.0 . . 27674 3 40 1.0 . . 27674 3 41 1.0 . . 27674 3 42 1.0 . . 27674 3 43 1.0 . . 27674 3 44 1.0 . . 27674 3 45 1.0 . . 27674 3 46 1.0 . . 27674 3 47 1.0 . . 27674 3 48 1.0 . . 27674 3 49 1.0 . . 27674 3 50 1.0 . . 27674 3 51 1.0 . . 27674 3 52 1.0 . . 27674 3 53 1.0 . . 27674 3 54 1.0 . . 27674 3 55 1.0 . . 27674 3 56 1.0 . . 27674 3 57 1.0 . . 27674 3 58 1.0 . . 27674 3 59 1.0 . . 27674 3 60 1.0 . . 27674 3 61 1.0 . . 27674 3 62 1.0 . . 27674 3 63 1.0 . . 27674 3 64 1.0 . . 27674 3 65 1.0 . . 27674 3 66 1.0 . . 27674 3 67 1.0 . . 27674 3 68 1.0 . . 27674 3 69 1.0 . . 27674 3 70 1.0 . . 27674 3 71 1.0 . . 27674 3 72 1.0 . . 27674 3 73 1.0 . . 27674 3 74 1.0 . . 27674 3 75 1.0 . . 27674 3 76 1.0 . . 27674 3 77 1.0 . . 27674 3 78 1.0 . . 27674 3 79 1.0 . . 27674 3 80 1.0 . . 27674 3 81 1.0 . . 27674 3 82 1.0 . . 27674 3 83 1.0 . . 27674 3 84 1.0 . . 27674 3 85 1.0 . . 27674 3 86 1.0 . . 27674 3 87 1.0 . . 27674 3 88 1.0 . . 27674 3 89 1.0 . . 27674 3 90 1.0 . . 27674 3 91 1.0 . . 27674 3 92 1.0 . . 27674 3 93 1.0 . . 27674 3 94 1.0 . . 27674 3 95 1.0 . . 27674 3 96 1.0 . . 27674 3 97 1.0 . . 27674 3 98 1.0 . . 27674 3 99 1.0 . . 27674 3 100 1.0 . . 27674 3 101 1.0 . . 27674 3 102 1.0 . . 27674 3 103 1.0 . . 27674 3 104 1.0 . . 27674 3 105 1.0 . . 27674 3 106 1.0 . . 27674 3 107 1.0 . . 27674 3 108 1.0 . . 27674 3 109 1.0 . . 27674 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 106751776.000000 . height 27674 3 1 1681365622.000000 . volume 27674 3 2 37153412.000000 . height 27674 3 2 543184149.500000 . volume 27674 3 3 17570822.000000 . height 27674 3 3 222081580.906000 . volume 27674 3 4 19553212.000000 . height 27674 3 4 283334875.500000 . volume 27674 3 5 56563608.000000 . height 27674 3 5 835217218.000000 . volume 27674 3 6 72131440.000000 . height 27674 3 6 1064974481.000000 . volume 27674 3 7 38906920.000000 . height 27674 3 7 576223645.000000 . volume 27674 3 8 18088840.000000 . height 27674 3 8 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2066487410.000000 . volume 27674 3 104 2802724.750000 . height 27674 3 104 56999993.937500 . volume 27674 3 105 4673145.000000 . height 27674 3 105 82919713.437500 . volume 27674 3 106 5500533.000000 . height 27674 3 106 92135195.875000 . volume 27674 3 107 5723429.500000 . height 27674 3 107 100356021.625000 . volume 27674 3 108 5105123.500000 . height 27674 3 108 96355421.625000 . volume 27674 3 109 3774603.500000 . height 27674 3 109 57922906.000000 . volume 27674 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 1 180.207 . 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84.18450751300 . . . . . . . . . . . 27674 3 46 2 7.974 . 16.79165074040 . . . . . . . . . . . 27674 3 46 3 112.816 . 20.96533355270 . . . . . . . . . . . 27674 3 47 1 175.906 . 30.92010284300 . . . . . . . . . . . 27674 3 47 2 8.320 . 19.41202225660 . . . . . . . . . . . 27674 3 47 3 122.232 . 27.25983405290 . . . . . . . . . . . 27674 3 48 1 174.278 . 34.28037029090 . . . . . . . . . . . 27674 3 48 2 8.320 . 18.80380907960 . . . . . . . . . . . 27674 3 48 3 122.245 . 23.73409933440 . . . . . . . . . . . 27674 3 49 1 176.169 . 114.52036550800 . . . . . . . . . . . 27674 3 49 2 8.353 . 8.86556311988 . . . . . . . . . . . 27674 3 49 3 122.104 . 12.05754543010 . . . . . . . . . . . 27674 3 50 1 176.410 . 27.51628371940 . . . . . . . . . . . 27674 3 50 2 8.351 . 15.59366269050 . . . . . . . . . . . 27674 3 50 3 122.046 . 24.12020647530 . . . . . . . . . . . 27674 3 51 1 175.171 . 34.42451399490 . . . . . . . . . . . 27674 3 51 2 7.881 . 18.14517278490 . . . . . . . . . . . 27674 3 51 3 115.810 . 26.76538549180 . . . . . . . . . . . 27674 3 52 1 175.792 . 33.34030648930 . . . . . . . . . . . 27674 3 52 2 8.112 . 17.35495974810 . . . . . . . . . . . 27674 3 52 3 122.944 . 24.21971736940 . . . . . . . . . . . 27674 3 53 1 176.676 . 32.07726381340 . . . . . . . . . . . 27674 3 53 2 8.114 . 17.32109347510 . . . . . . . . . . . 27674 3 53 3 122.907 . 23.84406475930 . . . . . . . . . . . 27674 3 54 1 175.312 . 32.65846709690 . . . . . . . . . . . 27674 3 54 2 8.241 . 18.45686792720 . . . . . . . . . . . 27674 3 54 3 120.498 . 29.26054706500 . . . . . . . . . . . 27674 3 55 1 176.650 . 31.24726937850 . . . . . . . . . . . 27674 3 55 2 8.146 . 16.08635424740 . . . . . . . . . . . 27674 3 55 3 125.416 . 23.61162145990 . . . . . . . . . . . 27674 3 56 1 174.035 . 31.00941022660 . . . . . . . . . . . 27674 3 56 2 8.146 . 17.08428042530 . . . . . . . . . . . 27674 3 56 3 125.423 . 23.57980111590 . . . . . . . . . . . 27674 3 57 1 176.658 . 32.39473260730 . . . . . . . . . . . 27674 3 57 2 7.965 . 15.99052523790 . . . . . . . . . . . 27674 3 57 3 119.904 . 28.54383314720 . . . . . . . . . . . 27674 3 58 1 175.795 . 30.25413248220 . . . . . . . . . . . 27674 3 58 2 8.061 . 16.60626425340 . . . . . . . . . . . 27674 3 58 3 117.190 . 23.44100706830 . . . . . . . . . . . 27674 3 59 1 174.251 . 31.94991483460 . . . . . . . . . . . 27674 3 59 2 8.059 . 16.63348270240 . . . . . . . . . . . 27674 3 59 3 117.110 . 25.51888060840 . . . . . . . . . . . 27674 3 60 1 176.515 . 31.38718134070 . . . . . . . . . . . 27674 3 60 2 8.397 . 16.03003588970 . . . . . . . . . . . 27674 3 60 3 121.579 . 26.47822084330 . . . . . . . . . . . 27674 3 61 1 175.908 . 31.66629997480 . . . . . . . . . . . 27674 3 61 2 8.397 . 17.39171092580 . . . . . . . . . . . 27674 3 61 3 121.582 . 24.75427884900 . . . . . . . . . . . 27674 3 62 1 177.249 . 32.17111150330 . . . . . . . . . . . 27674 3 62 2 8.189 . 19.22086596010 . . . . . . . . . . . 27674 3 62 3 120.751 . 24.71244042540 . . . . . . . . . . . 27674 3 63 1 174.265 . 30.71283565770 . . . . . . . . . . . 27674 3 63 2 8.190 . 45.79221833030 . . . . . . . . . . . 27674 3 63 3 120.743 . 22.94617280600 . . . . . . . . . . . 27674 3 64 1 174.535 . 30.48247021510 . . . . . . . . . . . 27674 3 64 2 8.230 . 18.43780246980 . . . . . . . . . . . 27674 3 64 3 125.559 . 21.77911474490 . . . . . . . . . . . 27674 3 65 1 178.274 . 33.83184974410 . . . . . . . . . . . 27674 3 65 2 8.228 . 17.30365861600 . . . . . . . . . . . 27674 3 65 3 125.591 . 25.18355914250 . . . . . . . . . . . 27674 3 66 1 176.590 . 32.43330317030 . . . . . . . . . . . 27674 3 66 2 8.254 . 17.99101852740 . . . . . . . . . . . 27674 3 66 3 122.294 . 25.61725469910 . . . . . . . . . . . 27674 3 67 1 175.962 . 30.44129889420 . . . . . . . . . . . 27674 3 67 2 8.041 . 18.19421616550 . . . . . . . . . . . 27674 3 67 3 121.842 . 26.32065177760 . . . . . . . . . . . 27674 3 68 1 174.389 . 34.93770084560 . . . . . . . . . . . 27674 3 68 2 8.039 . 19.40123522150 . . . . . . . . . . . 27674 3 68 3 121.834 . 25.09688296140 . . . . . . . . . . . 27674 3 69 1 180.442 . 32.29451526450 . . . . . . . . . . . 27674 3 69 2 8.203 . 16.41999975180 . . . . . . . . . . . 27674 3 69 3 108.926 . 23.94465155660 . . . . . . . . . . . 27674 3 70 1 177.291 . 33.05664754890 . . . . . . . . . . . 27674 3 70 2 8.202 . 15.61423331560 . . . . . . . . . . . 27674 3 70 3 108.931 . 23.16992006720 . . . . . . . . . . . 27674 3 71 1 177.194 . 42.77149239090 . . . . . . . . . . . 27674 3 71 2 8.148 . 20.48859344630 . . . . . . . . . . . 27674 3 71 3 119.064 . 30.24749538150 . . . . . . . . . . . 27674 3 72 1 174.264 . 31.01364196830 . . . . . . . . . . . 27674 3 72 2 8.339 . 19.36197543100 . . . . . . . . . . . 27674 3 72 3 110.569 . 23.50600786040 . . . . . . . . . . . 27674 3 73 1 176.707 . 31.69975718320 . . . . . . . . . . . 27674 3 73 2 8.394 . 16.58933111690 . . . . . . . . . . . 27674 3 73 3 120.689 . 24.69802738280 . . . . . . . . . . . 27674 3 74 1 174.444 . 31.43902017730 . . . . . . . . . . . 27674 3 74 2 8.395 . 15.36851469030 . . . . . . . . . . . 27674 3 74 3 120.699 . 24.32974369450 . . . . . . . . . . . 27674 3 75 1 175.977 . 30.30720557690 . . . . . . . . . . . 27674 3 75 2 8.390 . 16.84031782900 . . . . . . . . . . . 27674 3 75 3 120.699 . 24.35779837740 . . . . . . . . . . . 27674 3 76 1 173.993 . 30.29997635140 . . . . . . . . . . . 27674 3 76 2 8.067 . 16.64916153250 . . . . . . . . . . . 27674 3 76 3 123.701 . 22.97639959540 . . . . . . . . . . . 27674 3 77 1 174.672 . 30.60713027470 . . . . . . . . . . . 27674 3 77 2 8.064 . 17.53946822070 . . . . . . . . . . . 27674 3 77 3 123.706 . 24.39068447460 . . . . . . . . . . . 27674 3 78 1 175.363 . 32.79035638200 . . . . . . . . . . . 27674 3 78 2 8.498 . 21.78328852030 . . . . . . . . . . . 27674 3 78 3 109.608 . 25.57157956410 . . . . . . . . . . . 27674 3 79 1 174.499 . 44.02439651890 . . . . . . . . . . . 27674 3 79 2 8.497 . 18.10641471690 . . . . . . . . . . . 27674 3 79 3 109.632 . 30.48427528120 . . . . . . . . . . . 27674 3 80 1 177.734 . 32.33870610950 . . . . . . . . . . . 27674 3 80 2 8.127 . 19.17420576180 . . . . . . . . . . . 27674 3 80 3 114.375 . 26.63026829260 . . . . . . . . . . . 27674 3 81 1 174.381 . 30.28825090020 . . . . . . . . . . . 27674 3 81 2 8.125 . 15.46497085310 . . . . . . . . . . . 27674 3 81 3 114.367 . 24.83777299570 . . . . . . . . . . . 27674 3 82 1 176.761 . 30.58486954980 . . . . . . . . . . . 27674 3 82 2 8.212 . 17.57559224520 . . . . . . . . . . . 27674 3 82 3 116.489 . 24.21780916370 . . . . . . . . . . . 27674 3 83 1 174.475 . 32.96800137500 . . . . . . . . . . . 27674 3 83 2 8.211 . 17.70052116340 . . . . . . . . . . . 27674 3 83 3 116.475 . 26.70310490780 . . . . . . . . . . . 27674 3 84 1 180.176 . 31.80013982840 . . . . . . . . . . . 27674 3 84 2 8.395 . 18.93400608470 . . . . . . . . . . . 27674 3 84 3 109.988 . 27.19875117240 . . . . . . . . . . . 27674 3 85 1 176.537 . 30.85459900690 . . . . . . . . . . . 27674 3 85 2 8.210 . 16.37108180190 . . . . . . . . . . . 27674 3 85 3 119.532 . 24.21171914570 . . . . . . . . . . . 27674 3 86 1 174.491 . 32.87763605600 . . . . . . . . . . . 27674 3 86 2 8.211 . 17.10635621810 . . . . . . . . . . . 27674 3 86 3 119.516 . 24.67224630660 . . . . . . . . . . . 27674 3 87 1 175.894 . 45.91281128300 . . . . . . . . . . . 27674 3 87 2 8.317 . 16.50290940540 . . . . . . . . . . . 27674 3 87 3 121.921 . 48.77728863710 . . . . . . . . . . . 27674 3 88 1 175.105 . 30.55652569610 . . . . . . . . . . . 27674 3 88 2 8.256 . 13.38595798240 . . . . . . . . . . . 27674 3 88 3 122.293 . 22.69983157810 . . . . . . . . . . . 27674 3 89 1 177.539 . 37.85024119830 . . . . . . . . . . . 27674 3 89 2 8.144 . 10.66988288730 . . . . . . . . . . . 27674 3 89 3 119.048 . 28.09503942100 . . . . . . . . . . . 27674 3 90 1 176.929 . 30.21128609680 . . . . . . . . . . . 27674 3 90 2 8.392 . 9.91491586051 . . . . . . . . . . . 27674 3 90 3 110.050 . 21.98163575580 . . . . . . . . . . . 27674 3 91 1 177.212 . 40.81550200050 . . . . . . . . . . . 27674 3 91 2 7.799 . 23.29811436880 . . . . . . . . . . . 27674 3 91 3 117.854 . 29.21779513870 . . . . . . . . . . . 27674 3 92 1 176.638 . 32.79873170430 . . . . . . . . . . . 27674 3 92 2 7.799 . 15.25437280720 . . . . . . . . . . . 27674 3 92 3 117.853 . 33.72229724950 . . . . . . . . . . . 27674 3 93 1 172.961 . 27.98635970080 . . . . . . . . . . . 27674 3 93 2 7.839 . 12.45940183910 . . . . . . . . . . . 27674 3 93 3 121.035 . 21.67372444600 . . . . . . . . . . . 27674 3 94 1 176.265 . 32.73587270680 . . . . . . . . . . . 27674 3 94 2 8.032 . 16.27011013610 . . . . . . . . . . . 27674 3 94 3 114.613 . 32.25176090410 . . . . . . . . . . . 27674 3 95 1 175.585 . 54.06455650930 . . . . . . . . . . . 27674 3 95 2 8.020 . 14.33170501380 . . . . . . . . . . . 27674 3 95 3 112.940 . 32.51761048970 . . . . . . . . . . . 27674 3 96 1 177.172 . 33.91917349870 . . . . . . . . . . . 27674 3 96 2 8.007 . 18.65592635410 . . . . . . . . . . . 27674 3 96 3 118.536 . 34.16118454650 . . . . . . . . . . . 27674 3 97 1 177.954 . 39.15255972750 . . . . . . . . . . . 27674 3 97 2 8.007 . 10.18948353310 . . . . . . . . . . . 27674 3 97 3 118.584 . 31.39298716640 . . . . . . . . . . . 27674 3 98 1 177.871 . 47.12524938020 . . . . . . . . . . . 27674 3 98 2 8.624 . 23.82667908900 . . . . . . . . . . . 27674 3 98 3 118.455 . 40.49297625690 . . . . . . . . . . . 27674 3 99 1 173.847 . 31.06997703060 . . . . . . . . . . . 27674 3 99 2 8.675 . 13.05808228740 . . . . . . . . . . . 27674 3 99 3 119.555 . 35.74592902940 . . . . . . . . . . . 27674 3 100 1 174.402 . 53.68070226640 . . . . . . . . . . . 27674 3 100 2 7.366 . 12.95071365890 . . . . . . . . . . . 27674 3 100 3 117.535 . 56.80029864510 . . . . . . . . . . . 27674 3 101 1 177.495 . 44.73859110360 . . . . . . . . . . . 27674 3 101 2 8.039 . 12.94519471070 . . . . . . . . . . . 27674 3 101 3 119.662 . 24.77374660650 . . . . . . . . . . . 27674 3 102 1 180.577 . 36.22617254270 . . . . . . . . . . . 27674 3 102 2 7.884 . 15.66089351390 . . . . . . . . . . . 27674 3 102 3 110.194 . 24.00660733960 . . . . . . . . . . . 27674 3 103 1 174.793 . 30.59875495250 . . . . . . . . . . . 27674 3 103 2 7.886 . 15.70592311400 . . . . . . . . . . . 27674 3 103 3 110.192 . 24.30924063390 . . . . . . . . . . . 27674 3 104 1 174.847 . 102.43257147000 . . . . . . . . . . . 27674 3 104 2 8.290 . 30.10172318520 . . . . . . . . . . . 27674 3 104 3 117.598 . 27.05612295100 . . . . . . . . . . . 27674 3 105 1 174.879 . 53.92949341790 . . . . . . . . . . . 27674 3 105 2 7.638 . 15.27695032260 . . . . . . . . . . . 27674 3 105 3 123.289 . 28.61825316710 . . . . . . . . . . . 27674 3 106 1 173.937 . 37.40692216740 . . . . . . . . . . . 27674 3 106 2 7.640 . 15.78369011120 . . . . . . . . . . . 27674 3 106 3 123.308 . 31.81553291500 . . . . . . . . . . . 27674 3 107 1 175.080 . 32.87252270140 . . . . . . . . . . . 27674 3 107 2 8.236 . 23.16729021050 . . . . . . . . . . . 27674 3 107 3 117.552 . 35.83699509850 . . . . . . . . . . . 27674 3 108 1 175.114 . 37.45338316560 . . . . . . . . . . . 27674 3 108 2 8.352 . 21.98711331150 . . . . . . . . . . . 27674 3 108 3 117.530 . 38.10402459760 . . . . . . . . . . . 27674 3 109 1 174.177 . 31.67423449060 . . . . . . . . . . . 27674 3 109 2 8.165 . 15.58475711500 . . . . . . . . . . . 27674 3 109 3 117.178 . 30.38845899800 . . . . . . . . . . . 27674 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 . . 180.207 . . 1 . 1 1 44 GLY C . . . . . . . . . . 281 . 27674 3 1 2 1 . . 8.214 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 3 1 3 1 . . 110.015 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 3 2 1 1 . . 175.999 . . 1 . 1 1 43 GLN C . . . . . . . . . . 280 . 27674 3 2 2 1 . . 8.215 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 3 2 3 1 . . 109.986 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 3 3 2 1 . . 8.202 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 3 3 3 1 . . 109.909 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 3 4 1 1 . . 177.261 . . 1 . 1 1 51 LYS C . . . . . . . . . . 291 . 27674 3 4 2 1 . . 8.495 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 3 4 3 1 . . 109.936 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 3 5 1 1 . . 174.761 . . 1 . 1 1 52 GLY C . . . . . . . . . . 282 . 27674 3 5 2 1 . . 8.495 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 3 5 3 1 . . 109.944 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 3 6 1 1 . . 174.587 . . 1 . 1 1 24 GLY C . . . . . . . . . . 204 . 27674 3 6 2 1 . . 8.311 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 3 6 3 1 . . 107.437 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 3 7 1 1 . . 178.278 . . 1 . 1 1 23 ALA C . . . . . . . . . . 203 . 27674 3 7 2 1 . . 8.310 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 3 7 3 1 . . 107.442 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 3 8 1 1 . . 175.110 . . 1 . 1 1 20 SER C . . . . . . . . . . 159 . 27674 3 8 2 1 . . 8.301 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 3 8 3 1 . . 115.879 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 3 9 2 1 . . 8.301 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 3 9 3 1 . . 115.854 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 3 10 1 1 . . 174.498 . . 1 . 1 1 2 PHE C . . . . . . . . . . 254 . 27674 3 10 2 1 . . 7.604 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 3 10 3 1 . . 117.192 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 3 11 1 1 . . 173.939 . . 1 . 1 1 3 PHE C . . . . . . . . . . 251 . 27674 3 11 2 1 . . 7.604 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 3 11 3 1 . . 117.184 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 3 12 2 1 . . 8.087 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 3 12 3 1 . . 115.341 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 3 13 1 1 . . 174.035 . . 1 . 1 1 67 THR C . . . . . . . . . . 235 . 27674 3 13 2 1 . . 8.087 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 3 13 3 1 . . 115.348 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 3 14 1 1 . . 174.722 . . 1 . 1 1 52 GLY C . . . . . . . . . . 282 . 27674 3 14 2 1 . . 8.247 . . 1 . 1 1 53 GLY H . . . . . . . . . . 16 . 27674 3 14 3 1 . . 108.695 . . 1 . 1 1 53 GLY N . . . . . . . . . . 15 . 27674 3 15 1 1 . . 174.434 . . 1 . 1 1 53 GLY C . . . . . . . . . . 283 . 27674 3 15 2 1 . . 8.241 . . 1 . 1 1 53 GLY H . . . . . . . . . . 16 . 27674 3 15 3 1 . . 108.704 . . 1 . 1 1 53 GLY N . . . . . . . . . . 15 . 27674 3 16 2 1 . . 8.033 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 3 16 3 1 . . 120.151 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 3 17 1 1 . . 175.769 . . 1 . 1 1 63 TYR C . . . . . . . . . . 274 . 27674 3 17 2 1 . . 8.033 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 3 17 3 1 . . 120.155 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 3 18 1 1 . . 175.360 . . 1 . 1 1 17 CYS C . . . . . . . . . . 185 . 27674 3 18 2 1 . . 8.106 . . 1 . 1 1 17 CYS H . . . . . . . . . . 20 . 27674 3 18 3 1 . . 119.101 . . 1 . 1 1 17 CYS N . . . . . . . . . . 19 . 27674 3 19 1 2 . . 176.643 . . 1 . 1 1 49 MET C . . . . . . . . . . 288 . 27674 3 19 2 2 . . 8.373 . . 1 . 1 1 50 GLY H . . . . . . . . . . 285 . 27674 3 19 3 2 . . 109.444 . . 1 . 1 1 50 GLY N . . . . . . . . . . 286 . 27674 3 20 1 2 . . 174.253 . . 1 . 1 1 50 GLY C . . . . . . . . . . 287 . 27674 3 20 2 2 . . 8.372 . . 1 . 1 1 50 GLY H . . . . . . . . . . 285 . 27674 3 20 3 2 . . 109.448 . . 1 . 1 1 50 GLY N . . . . . . . . . . 286 . 27674 3 21 2 2 . . 8.118 . . 1 . . . . . . . . . . . . . . . . 177 . 27674 3 21 3 2 . . 122.371 . . 1 . . . . . . . . . . . . . . . . 178 . 27674 3 22 1 1 . . 178.531 . . 1 . 1 1 10 ALA C . . . . . . . . . . 216 . 27674 3 22 2 1 . . 8.093 . . 1 . 1 1 10 ALA H . . . . . . . . . . 24 . 27674 3 22 3 1 . . 122.438 . . 1 . 1 1 10 ALA N . . . . . . . . . . 23 . 27674 3 23 1 1 . . 174.517 . . 1 . 1 1 64 SER C . . . . . . . . . . 295 . 27674 3 23 2 1 . . 8.116 . . 1 . 1 1 64 SER H . . . . . . . . . . 26 . 27674 3 23 3 1 . . 116.961 . . 1 . 1 1 64 SER N . . . . . . . . . . 25 . 27674 3 24 2 1 . . 8.426 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 3 24 3 1 . . 122.080 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 3 25 2 1 . . 8.428 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 3 25 3 1 . . 122.110 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 3 26 2 1 . . 8.432 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 3 26 3 1 . . 122.007 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 3 27 2 1 . . 8.311 . . 1 . . . . . . . . . . . . . . . . 32 . 27674 3 27 3 1 . . 110.116 . . 1 . . . . . . . . . . . . . . . . 31 . 27674 3 28 1 1 . . 174.527 . . 1 . 1 1 26 SER C . . . . . . . . . . 242 . 27674 3 28 2 1 . . 8.291 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 3 28 3 1 . . 117.713 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 3 29 2 1 . . 7.839 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 3 29 3 1 . . 121.043 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 3 30 2 1 . . 8.254 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 3 30 3 1 . . 120.834 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 3 31 1 1 . . 176.795 . . 1 . . . . . . . . . . . . . . . . 155 . 27674 3 31 2 2 . . 8.222 . . 1 . . . . . . . . . . . . . . . . 116 . 27674 3 31 3 3 . . 120.763 . . 1 . . . . . . . . . . . . . . . . 115 . 27674 3 32 2 2 . . 8.222 . . 1 . . . . . . . . . . . . . . . . 116 . 27674 3 32 3 2 . . 120.757 . . 1 . . . . . . . . . . . . . . . . 115 . 27674 3 33 2 1 . . 8.236 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 3 33 3 1 . . 120.544 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 3 34 1 1 . . 175.798 . . 1 . 1 1 69 VAL C . . . . . . . . . . 230 . 27674 3 34 2 1 . . 8.185 . . 1 . 1 1 70 VAL H . . . . . . . . . . 48 . 27674 3 34 3 1 . . 124.306 . . 1 . 1 1 70 VAL N . . . . . . . . . . 47 . 27674 3 35 1 1 . . 174.786 . . 1 . 1 1 70 VAL C . . . . . . . . . . 227 . 27674 3 35 2 1 . . 8.185 . . 1 . 1 1 70 VAL H . . . . . . . . . . 48 . 27674 3 35 3 1 . . 124.308 . . 1 . 1 1 70 VAL N . . . . . . . . . . 47 . 27674 3 36 1 1 . . 176.907 . . 1 . 1 1 47 PRO C . . . . . . . . . . 304 . 27674 3 36 2 1 . . 8.517 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 3 36 3 1 . . 118.230 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 3 37 1 1 . . 175.300 . . 1 . 1 1 48 ASN C . . . . . . . . . . 303 . 27674 3 37 2 1 . . 8.515 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 3 37 3 1 . . 118.224 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 3 38 1 1 . . 176.755 . . 1 . . . . . . . . . . . . . . . . 153 . 27674 3 38 2 2 . . 8.340 . . 1 . . . . . . . . . . . . . . . . 88 . 27674 3 38 3 2 . . 122.131 . . 1 . . . . . . . . . . . . . . . . 87 . 27674 3 39 2 1 . . 8.178 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 3 39 3 1 . . 115.642 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 3 40 1 1 . . 174.540 . . 1 . 1 1 22 SER C . . . . . . . . . . 182 . 27674 3 40 2 1 . . 8.175 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 3 40 3 1 . . 115.629 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 3 41 1 2 . . 177.736 . . 1 . 1 1 35 ALA C . . . . . . . . . . 265 . 27674 3 41 2 1 . . 8.278 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 3 41 3 1 . . 125.847 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 3 42 1 1 . . 174.466 . . 1 . 1 1 34 SER C . . . . . . . . . . 264 . 27674 3 42 2 1 . . 8.278 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 3 42 3 1 . . 125.853 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 3 43 2 1 . . 8.247 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 3 43 3 1 . . 116.887 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 3 44 1 1 . . 173.981 . . 1 . . . . . . . . . . . . . . . . 297 . 27674 3 44 2 1 . . 8.247 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 3 44 3 1 . . 116.896 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 3 45 1 1 . . 174.839 . . 1 . 1 1 25 THR C . . . . . . . . . . 241 . 27674 3 45 2 1 . . 7.975 . . 1 . 1 1 25 THR H . . . . . . . . . . 64 . 27674 3 45 3 1 . . 112.810 . . 1 . 1 1 25 THR N . . . . . . . . . . 63 . 27674 3 46 1 1 . . 174.585 . . 1 . 1 1 24 GLY C . . . . . . . . . . 204 . 27674 3 46 2 1 . . 7.974 . . 1 . 1 1 25 THR H . . . . . . . . . . 64 . 27674 3 46 3 1 . . 112.816 . . 1 . 1 1 25 THR N . . . . . . . . . . 63 . 27674 3 47 2 2 . . 8.320 . . 1 . 1 1 65 GLN H . . . . . . . . . . 128 . 27674 3 47 3 2 . . 122.232 . . 1 . 1 1 65 GLN N . . . . . . . . . . 127 . 27674 3 48 2 2 . . 8.320 . . 1 . 1 1 65 GLN H . . . . . . . . . . 128 . 27674 3 48 3 2 . . 122.245 . . 1 . 1 1 65 GLN N . . . . . . . . . . 127 . 27674 3 49 2 1 . . 8.353 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 3 49 3 1 . . 122.104 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 3 50 2 1 . . 8.351 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 3 50 3 1 . . 122.046 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 3 51 1 1 . . 175.171 . . 1 . 1 1 16 CYS C . . . . . . . . . . 187 . 27674 3 51 2 1 . . 7.881 . . 1 . 1 1 16 CYS H . . . . . . . . . . 68 . 27674 3 51 3 1 . . 115.810 . . 1 . 1 1 16 CYS N . . . . . . . . . . 67 . 27674 3 52 1 1 . . 175.792 . . 1 . 1 1 69 VAL C . . . . . . . . . . 230 . 27674 3 52 2 1 . . 8.112 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 3 52 3 1 . . 122.944 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 3 53 1 1 . . 176.676 . . 1 . 1 1 68 LEU C . . . . . . . . . . 233 . 27674 3 53 2 1 . . 8.114 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 3 53 3 1 . . 122.907 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 3 54 2 1 . . 8.241 . . 1 . . . . . . . . . . . . . . . . 82 . 27674 3 54 3 1 . . 120.498 . . 1 . . . . . . . . . . . . . . . . 81 . 27674 3 55 1 1 . . 176.650 . . 1 . 1 1 68 LEU C . . . . . . . . . . 233 . 27674 3 55 2 1 . . 8.146 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 3 55 3 1 . . 125.416 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 3 56 1 1 . . 174.035 . . 1 . 1 1 67 THR C . . . . . . . . . . 235 . 27674 3 56 2 1 . . 8.146 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 3 56 3 1 . . 125.423 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 3 57 1 1 . . 176.658 . . 1 . 1 1 14 MET C . . . . . . . . . . 150 . 27674 3 57 2 1 . . 7.965 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 3 57 3 1 . . 119.904 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 3 58 1 1 . . 175.795 . . 1 . 1 1 13 SER C . . . . . . . . . . 209 . 27674 3 58 2 1 . . 8.061 . . 1 . 1 1 13 SER H . . . . . . . . . . 90 . 27674 3 58 3 1 . . 117.190 . . 1 . 1 1 13 SER N . . . . . . . . . . 89 . 27674 3 59 2 2 . . 8.059 . . 1 . . . . . . . . . . . . . . . . 167 . 27674 3 59 3 2 . . 117.110 . . 1 . . . . . . . . . . . . . . . . 166 . 27674 3 60 1 1 . . 176.515 . . 1 . 1 1 66 GLU C . . . . . . . . . . 238 . 27674 3 60 2 1 . . 8.397 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 3 60 3 1 . . 121.579 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 3 61 1 1 . . 175.908 . . 1 . 1 1 65 GLN C . . . . . . . . . . 310 . 27674 3 61 2 1 . . 8.397 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 3 61 3 1 . . 121.582 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 3 62 1 1 . . 177.249 . . 1 . 1 1 51 LYS C . . . . . . . . . . 291 . 27674 3 62 2 1 . . 8.189 . . 1 . 1 1 51 LYS H . . . . . . . . . . 94 . 27674 3 62 3 1 . . 120.751 . . 1 . 1 1 51 LYS N . . . . . . . . . . 93 . 27674 3 63 2 1 . . 8.190 . . 1 . 1 1 51 LYS H . . . . . . . . . . 94 . 27674 3 63 3 1 . . 120.743 . . 1 . 1 1 51 LYS N . . . . . . . . . . 93 . 27674 3 64 2 1 . . 8.230 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 3 64 3 1 . . 125.559 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 3 65 2 1 . . 8.228 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 3 65 3 1 . . 125.591 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 3 66 1 1 . . 176.590 . . 1 . 1 1 21 ARG C . . . . . . . . . . 139 . 27674 3 66 2 1 . . 8.254 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 3 66 3 1 . . 122.294 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 3 67 1 1 . . 175.962 . . 1 . 1 1 37 TYR C . . . . . . . . . . 307 . 27674 3 67 2 1 . . 8.041 . . 1 . 1 1 37 TYR H . . . . . . . . . . 100 . 27674 3 67 3 1 . . 121.842 . . 1 . 1 1 37 TYR N . . . . . . . . . . 99 . 27674 3 68 2 1 . . 8.039 . . 1 . 1 1 37 TYR H . . . . . . . . . . 100 . 27674 3 68 3 1 . . 121.834 . . 1 . 1 1 37 TYR N . . . . . . . . . . 99 . 27674 3 69 1 1 . . 180.442 . . 1 . 1 1 46 GLY C . . . . . . . . . . 270 . 27674 3 69 2 1 . . 8.203 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 3 69 3 1 . . 108.926 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 3 70 2 1 . . 8.202 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 3 70 3 1 . . 108.931 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 3 71 1 1 . . 177.194 . . 1 . 1 1 9 GLN C . . . . . . . . . . 215 . 27674 3 71 2 1 . . 8.148 . . 1 . 1 1 9 GLN H . . . . . . . . . . 104 . 27674 3 71 3 1 . . 119.064 . . 1 . 1 1 9 GLN N . . . . . . . . . . 103 . 27674 3 72 2 1 . . 8.339 . . 1 . . . . . . . . . . . . . . . . 108 . 27674 3 72 3 1 . . 110.569 . . 1 . . . . . . . . . . . . . . . . 107 . 27674 3 73 2 1 . . 8.394 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 3 73 3 1 . . 120.689 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 3 74 2 2 . . 8.395 . . 1 . . . . . . . . . . . . . . . . 145 . 27674 3 74 3 2 . . 120.699 . . 1 . . . . . . . . . . . . . . . . 144 . 27674 3 75 2 1 . . 8.390 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 3 75 3 1 . . 120.699 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 3 76 2 1 . . 8.067 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 3 76 3 1 . . 123.701 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 3 77 2 1 . . 8.064 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 3 77 3 1 . . 123.706 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 3 78 1 1 . . 175.363 . . 1 . 1 1 17 CYS C . . . . . . . . . . 185 . 27674 3 78 2 1 . . 8.498 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 3 78 3 1 . . 109.608 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 3 79 1 1 . . 174.499 . . 1 . 1 1 18 GLY C . . . . . . . . . . 163 . 27674 3 79 2 1 . . 8.497 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 3 79 3 1 . . 109.632 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 3 80 2 1 . . 8.127 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 3 80 3 1 . . 114.375 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 3 81 1 1 . . 174.381 . . 1 . 1 1 36 SER C . . . . . . . . . . 263 . 27674 3 81 2 1 . . 8.125 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 3 81 3 1 . . 114.367 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 3 82 2 1 . . 8.212 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 3 82 3 1 . . 116.489 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 3 83 2 1 . . 8.211 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 3 83 3 1 . . 116.475 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 3 84 2 1 . . 8.395 . . 1 . . . . . . . . . . . . . . . . 130 . 27674 3 84 3 1 . . 109.988 . . 1 . . . . . . . . . . . . . . . . 129 . 27674 3 85 1 1 . . 176.537 . . 1 . 1 1 19 GLN C . . . . . . . . . . 161 . 27674 3 85 2 1 . . 8.210 . . 1 . 1 1 19 GLN H . . . . . . . . . . 132 . 27674 3 85 3 1 . . 119.532 . . 1 . 1 1 19 GLN N . . . . . . . . . . 131 . 27674 3 86 2 1 . . 8.211 . . 1 . 1 1 19 GLN H . . . . . . . . . . 132 . 27674 3 86 3 1 . . 119.516 . . 1 . 1 1 19 GLN N . . . . . . . . . . 131 . 27674 3 87 2 1 . . 8.317 . . 1 . . . . . . . . . . . . . . . . 54 . 27674 3 87 3 1 . . 121.921 . . 1 . . . . . . . . . . . . . . . . 53 . 27674 3 88 1 1 . . 175.105 . . 1 . 1 1 20 SER C . . . . . . . . . . 159 . 27674 3 88 2 1 . . 8.256 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 3 88 3 1 . . 122.293 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 3 89 2 1 . . 8.144 . . 1 . 1 1 9 GLN H . . . . . . . . . . 104 . 27674 3 89 3 1 . . 119.048 . . 1 . 1 1 9 GLN N . . . . . . . . . . 103 . 27674 3 90 2 1 . . 8.392 . . 1 . . . . . . . . . . . . . . . . 130 . 27674 3 90 3 1 . . 110.050 . . 1 . . . . . . . . . . . . . . . . 129 . 27674 3 91 1 1 . . 177.212 . . 1 . 1 1 15 LEU C . . . . . . . . . . 165 . 27674 3 91 2 1 . . 7.799 . . 1 . 1 1 15 LEU H . . . . . . . . . . 106 . 27674 3 91 3 1 . . 117.854 . . 1 . 1 1 15 LEU N . . . . . . . . . . 105 . 27674 3 92 1 1 . . 176.638 . . 1 . 1 1 14 MET C . . . . . . . . . . 150 . 27674 3 92 2 1 . . 7.799 . . 1 . 1 1 15 LEU H . . . . . . . . . . 106 . 27674 3 92 3 1 . . 117.853 . . 1 . 1 1 15 LEU N . . . . . . . . . . 105 . 27674 3 93 2 1 . . 7.839 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 3 93 3 1 . . 121.035 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 3 94 1 1 . . 176.265 . . 1 . 1 1 12 THR C . . . . . . . . . . 213 . 27674 3 94 2 1 . . 8.032 . . 1 . 1 1 12 THR H . . . . . . . . . . 46 . 27674 3 94 3 1 . . 114.613 . . 1 . 1 1 12 THR N . . . . . . . . . . 45 . 27674 3 95 1 1 . . 175.585 . . 1 . 1 1 11 SER C . . . . . . . . . . 214 . 27674 3 95 2 1 . . 8.020 . . 1 . 1 1 11 SER H . . . . . . . . . . 112 . 27674 3 95 3 1 . . 112.940 . . 1 . 1 1 11 SER N . . . . . . . . . . 111 . 27674 3 96 2 1 . . 8.007 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 3 96 3 1 . . 118.536 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 3 97 1 1 . . 177.954 . . 1 . 1 1 6 ARG C . . . . . . . . . . 219 . 27674 3 97 2 1 . . 8.007 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 3 97 3 1 . . 118.584 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 3 98 1 1 . . 177.871 . . 1 . 1 1 6 ARG C . . . . . . . . . . 219 . 27674 3 98 2 1 . . 8.624 . . 1 . 1 1 6 ARG H . . . . . . . . . . 38 . 27674 3 98 3 1 . . 118.455 . . 1 . 1 1 6 ARG N . . . . . . . . . . 37 . 27674 3 99 1 1 . . 173.847 . . 1 . 1 1 1 ALA C . . . . . . . . . . 258 . 27674 3 99 2 1 . . 8.675 . . 1 . 1 1 2 PHE H . . . . . . . . . . 180 . 27674 3 99 3 1 . . 119.555 . . 1 . 1 1 2 PHE N . . . . . . . . . . 179 . 27674 3 100 2 1 . . 7.366 . . 1 . . . . . . . . . . . . . . . . 30 . 27674 3 100 3 1 . . 117.535 . . 1 . . . . . . . . . . . . . . . . 29 . 27674 3 101 1 1 . . 177.495 . . 1 . 1 1 8 ARG C . . . . . . . . . . 217 . 27674 3 101 2 1 . . 8.039 . . 1 . 1 1 8 ARG H . . . . . . . . . . 72 . 27674 3 101 3 1 . . 119.662 . . 1 . 1 1 8 ARG N . . . . . . . . . . 71 . 27674 3 102 1 1 . . 180.577 . . 1 . 1 1 71 ASP C . . . . . . . . . . 226 . 27674 3 102 2 1 . . 7.884 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 3 102 3 1 . . 110.194 . . 1 . 1 1 71 ASP N . . . . . . . . . . 223 . 27674 3 103 1 1 . . 174.793 . . 1 . 1 1 70 VAL C . . . . . . . . . . 227 . 27674 3 103 2 1 . . 7.886 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 3 103 3 1 . . 110.192 . . 1 . 1 1 71 ASP N . . . . . . . . . . 223 . 27674 3 104 1 1 . . 174.847 . . 1 . 1 1 25 THR C . . . . . . . . . . 241 . 27674 3 105 1 1 . . 174.879 . . 1 . 1 1 4 ASP C . . . . . . . . . . 252 . 27674 3 105 2 1 . . 7.638 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 3 105 3 1 . . 123.289 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 3 106 1 1 . . 173.937 . . 1 . 1 1 3 PHE C . . . . . . . . . . 251 . 27674 3 106 2 1 . . 7.640 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 3 106 3 1 . . 123.308 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 3 107 2 1 . . 8.236 . . 1 . . . . . . . . . . . . . . . . 74 . 27674 3 107 3 1 . . 117.552 . . 1 . . . . . . . . . . . . . . . . 73 . 27674 3 108 2 1 . . 8.352 . . 1 . . . . . . . . . . . . . . . . 44 . 27674 3 108 3 1 . . 117.530 . . 1 . . . . . . . . . . . . . . . . 43 . 27674 3 109 2 1 . . 8.165 . . 1 . . . . . . . . . . . . . . . . 122 . 27674 3 109 3 1 . . 117.178 . . 1 . . . . . . . . . . . . . . . . 121 . 27674 3 stop_ save_ save_peak_list_1_2_3_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4 _Spectral_peak_list.Entry_ID 27674 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _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 . . C 13 13C . . 4295.91113281 . . . . . . . 27674 4 2 . . H 1 1H . . 4208.75390625 . . . . . . . 27674 4 3 . . N 15 15N . . 1362.31396484 . . . . . . . 27674 4 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27674 4 2 1.0 . . 27674 4 3 1.0 . . 27674 4 4 1.0 . . 27674 4 5 1.0 . . 27674 4 6 1.0 . . 27674 4 7 1.0 . . 27674 4 8 1.0 . . 27674 4 9 1.0 . . 27674 4 10 1.0 . . 27674 4 11 1.0 . . 27674 4 12 1.0 . . 27674 4 13 1.0 . . 27674 4 14 1.0 . . 27674 4 15 1.0 . . 27674 4 16 1.0 . . 27674 4 17 1.0 . . 27674 4 18 1.0 . . 27674 4 19 1.0 . . 27674 4 20 1.0 . . 27674 4 21 1.0 . . 27674 4 22 1.0 . . 27674 4 23 1.0 . . 27674 4 24 1.0 . . 27674 4 25 1.0 . . 27674 4 26 1.0 . . 27674 4 27 1.0 . . 27674 4 28 1.0 . . 27674 4 29 1.0 . . 27674 4 30 1.0 . . 27674 4 31 1.0 . . 27674 4 32 1.0 . . 27674 4 33 1.0 . . 27674 4 34 1.0 . . 27674 4 35 1.0 . . 27674 4 36 1.0 . . 27674 4 37 1.0 . . 27674 4 38 1.0 . . 27674 4 39 1.0 . . 27674 4 40 1.0 . . 27674 4 41 1.0 . . 27674 4 42 1.0 . . 27674 4 43 1.0 . . 27674 4 44 1.0 . . 27674 4 45 1.0 . . 27674 4 46 1.0 . . 27674 4 47 1.0 . . 27674 4 48 1.0 . . 27674 4 49 1.0 . . 27674 4 50 1.0 . . 27674 4 51 1.0 . . 27674 4 52 1.0 . . 27674 4 53 1.0 . . 27674 4 54 1.0 . . 27674 4 55 1.0 . . 27674 4 56 1.0 . . 27674 4 57 1.0 . . 27674 4 58 1.0 . . 27674 4 59 1.0 . . 27674 4 60 1.0 . . 27674 4 61 1.0 . . 27674 4 62 1.0 . . 27674 4 63 1.0 . . 27674 4 64 1.0 . . 27674 4 65 1.0 . . 27674 4 66 1.0 . . 27674 4 67 1.0 . . 27674 4 68 1.0 . . 27674 4 69 1.0 . . 27674 4 70 1.0 . . 27674 4 71 1.0 . . 27674 4 72 1.0 . . 27674 4 73 1.0 . . 27674 4 74 1.0 . . 27674 4 75 1.0 . . 27674 4 76 1.0 . . 27674 4 77 1.0 . . 27674 4 78 1.0 . . 27674 4 79 1.0 . . 27674 4 80 1.0 . . 27674 4 81 1.0 . . 27674 4 82 1.0 . . 27674 4 83 1.0 . . 27674 4 84 1.0 . . 27674 4 85 1.0 . . 27674 4 86 1.0 . . 27674 4 87 1.0 . . 27674 4 88 1.0 . . 27674 4 89 1.0 . . 27674 4 90 1.0 . . 27674 4 91 1.0 . . 27674 4 92 1.0 . . 27674 4 93 1.0 . . 27674 4 94 1.0 . . 27674 4 95 1.0 . . 27674 4 96 1.0 . . 27674 4 97 1.0 . . 27674 4 98 1.0 . . 27674 4 99 1.0 . . 27674 4 100 1.0 . . 27674 4 101 1.0 . . 27674 4 102 1.0 . . 27674 4 103 1.0 . . 27674 4 104 1.0 . . 27674 4 105 1.0 . . 27674 4 106 1.0 . . 27674 4 107 1.0 . . 27674 4 108 1.0 . . 27674 4 109 1.0 . . 27674 4 110 1.0 . . 27674 4 111 1.0 . . 27674 4 112 1.0 . . 27674 4 113 1.0 . . 27674 4 114 1.0 . . 27674 4 115 1.0 . . 27674 4 116 1.0 . . 27674 4 117 1.0 . . 27674 4 118 1.0 . . 27674 4 119 1.0 . . 27674 4 120 1.0 . . 27674 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 283915680.0000 . height 27674 4 1 3368373532.0000 . volume 27674 4 2 81286584.0000 . height 27674 4 2 1011456589.0000 . volume 27674 4 3 39121040.0000 . height 27674 4 3 512325239.0000 . volume 27674 4 4 135364720.0000 . height 27674 4 4 1823103254.0000 . volume 27674 4 5 73667248.0000 . height 27674 4 5 988039937.0000 . volume 27674 4 6 220741664.0000 . height 27674 4 6 2572654108.0000 . volume 27674 4 7 35218068.0000 . height 27674 4 7 515947892.5000 . volume 27674 4 8 17314340.0000 . height 27674 4 8 238166264.5000 . volume 27674 4 9 143851968.0000 . height 27674 4 9 1913125982.0000 . volume 27674 4 10 53704208.0000 . height 27674 4 10 709984826.3750 . volume 27674 4 11 50825280.0000 . height 27674 4 11 654062887.0000 . volume 27674 4 12 117430496.0000 . height 27674 4 12 1515127260.0000 . volume 27674 4 13 294778496.0000 . height 27674 4 13 3631184464.0000 . volume 27674 4 14 118091736.0000 . height 27674 4 14 1503338438.0000 . volume 27674 4 15 331155520.0000 . height 27674 4 15 3781485280.0000 . volume 27674 4 16 175662096.0000 . height 27674 4 16 2054590048.0000 . volume 27674 4 17 270214560.0000 . height 27674 4 17 3475338698.0000 . volume 27674 4 18 174502656.0000 . height 27674 4 18 2266569664.0000 . volume 27674 4 19 53417064.0000 . height 27674 4 19 654162147.5000 . volume 27674 4 20 176796192.0000 . height 27674 4 20 2145790972.0000 . volume 27674 4 21 32181086.0000 . height 27674 4 21 230594222.7500 . volume 27674 4 22 18179058.0000 . height 27674 4 22 267203074.7500 . volume 27674 4 23 64195688.0000 . height 27674 4 23 908040474.0000 . volume 27674 4 24 86247968.0000 . height 27674 4 24 1183930845.5000 . volume 27674 4 25 89800632.0000 . height 27674 4 25 1271619636.0000 . volume 27674 4 26 97611504.0000 . height 27674 4 26 1258733978.0000 . volume 27674 4 27 34176840.0000 . height 27674 4 27 442460005.0000 . volume 27674 4 28 18389658.0000 . height 27674 4 28 248372960.0000 . volume 27674 4 29 50947324.0000 . height 27674 4 29 757582656.5000 . volume 27674 4 30 21241958.0000 . height 27674 4 30 278323957.1250 . volume 27674 4 31 70010104.0000 . height 27674 4 31 963019140.0000 . volume 27674 4 32 22448664.0000 . height 27674 4 32 336040295.0000 . volume 27674 4 33 49908084.0000 . height 27674 4 33 732721251.0000 . volume 27674 4 34 191653088.0000 . height 27674 4 34 3042828472.0000 . volume 27674 4 35 274712736.0000 . height 27674 4 35 3336963000.0000 . volume 27674 4 36 159985664.0000 . height 27674 4 36 1857668738.0000 . volume 27674 4 37 48303112.0000 . height 27674 4 37 718481269.0000 . volume 27674 4 38 46028316.0000 . height 27674 4 38 642225771.5000 . volume 27674 4 39 18064790.0000 . height 27674 4 39 223888810.7500 . volume 27674 4 40 258067328.0000 . height 27674 4 40 4185517884.0000 . volume 27674 4 41 410283328.0000 . height 27674 4 41 6180634032.0000 . volume 27674 4 42 42121704.0000 . height 27674 4 42 591071117.0000 . volume 27674 4 43 99784728.0000 . height 27674 4 43 1316924116.0000 . volume 27674 4 44 284423744.0000 . height 27674 4 44 4142352196.0000 . volume 27674 4 45 178408352.0000 . height 27674 4 45 2234806436.0000 . volume 27674 4 46 60045412.0000 . height 27674 4 46 709165168.5000 . volume 27674 4 47 154483600.0000 . height 27674 4 47 1991013888.0000 . volume 27674 4 48 51154600.0000 . height 27674 4 48 647086248.0000 . volume 27674 4 49 29674680.0000 . height 27674 4 49 397459767.0000 . volume 27674 4 50 67448592.0000 . height 27674 4 50 928992666.0000 . volume 27674 4 51 124004928.0000 . height 27674 4 51 1664653756.0000 . volume 27674 4 52 40657084.0000 . height 27674 4 52 584750451.0000 . volume 27674 4 53 182788032.0000 . height 27674 4 53 2412507702.0000 . volume 27674 4 54 105822688.0000 . height 27674 4 54 1216824156.0000 . volume 27674 4 55 73011288.0000 . height 27674 4 55 1006325071.0000 . volume 27674 4 56 156200144.0000 . height 27674 4 56 2425364940.0000 . volume 27674 4 57 110764168.0000 . height 27674 4 57 1436764910.0000 . volume 27674 4 58 30018220.0000 . height 27674 4 58 354428648.5000 . volume 27674 4 59 574873216.0000 . height 27674 4 59 7084452528.0000 . volume 27674 4 60 127210904.0000 . height 27674 4 60 1732113998.0000 . volume 27674 4 61 38546144.0000 . height 27674 4 61 466978090.8120 . volume 27674 4 62 30838936.0000 . height 27674 4 62 551319309.0000 . volume 27674 4 63 16694716.0000 . height 27674 4 63 205847552.3750 . volume 27674 4 64 56200928.0000 . height 27674 4 64 653671213.5000 . volume 27674 4 65 172831200.0000 . height 27674 4 65 2086087904.0000 . volume 27674 4 66 250997296.0000 . height 27674 4 66 3274690898.0000 . volume 27674 4 67 17962852.0000 . height 27674 4 67 241357692.0000 . volume 27674 4 68 52576880.0000 . height 27674 4 68 744919329.5000 . volume 27674 4 69 21901848.0000 . height 27674 4 69 269710752.5000 . volume 27674 4 70 70018656.0000 . height 27674 4 70 887566219.0000 . volume 27674 4 71 251985072.0000 . height 27674 4 71 3234978922.0000 . volume 27674 4 72 105012352.0000 . height 27674 4 72 1160865923.7500 . volume 27674 4 73 230779968.0000 . height 27674 4 73 3006352380.0000 . volume 27674 4 74 86031904.0000 . height 27674 4 74 979789201.5000 . volume 27674 4 75 111776360.0000 . height 27674 4 75 1541596680.0000 . volume 27674 4 76 62875336.0000 . height 27674 4 76 757853686.0000 . volume 27674 4 77 185119568.0000 . height 27674 4 77 2473307159.0000 . volume 27674 4 78 51523336.0000 . height 27674 4 78 682998780.5000 . volume 27674 4 79 122780528.0000 . height 27674 4 79 1708343133.0000 . volume 27674 4 80 148969216.0000 . height 27674 4 80 2100180670.0000 . volume 27674 4 81 93194216.0000 . height 27674 4 81 1133047632.0000 . volume 27674 4 82 371687008.0000 . height 27674 4 82 4320168764.0000 . volume 27674 4 83 41877192.0000 . height 27674 4 83 628847799.2500 . volume 27674 4 84 25546434.0000 . height 27674 4 84 359168604.2500 . volume 27674 4 85 46843800.0000 . height 27674 4 85 653428934.0000 . volume 27674 4 86 37704748.0000 . height 27674 4 86 509388349.0000 . volume 27674 4 87 134364720.0000 . height 27674 4 87 1717108850.0000 . volume 27674 4 88 49988228.0000 . height 27674 4 88 717024528.0000 . volume 27674 4 89 29458568.0000 . height 27674 4 89 371171905.2500 . volume 27674 4 90 375743488.0000 . height 27674 4 90 4512789088.0000 . volume 27674 4 91 141259968.0000 . height 27674 4 91 1638356077.0000 . volume 27674 4 92 194067872.0000 . height 27674 4 92 2622419454.0000 . volume 27674 4 93 279628128.0000 . height 27674 4 93 3697904736.0000 . volume 27674 4 94 115457216.0000 . height 27674 4 94 1634089344.0000 . volume 27674 4 95 39512400.0000 . height 27674 4 95 540563774.0000 . volume 27674 4 96 118676968.0000 . height 27674 4 96 1712729960.0000 . volume 27674 4 97 23117580.0000 . height 27674 4 97 300078285.6250 . volume 27674 4 98 96529504.0000 . height 27674 4 98 1286146405.0000 . volume 27674 4 99 51373432.0000 . height 27674 4 99 672843877.0000 . volume 27674 4 100 135270624.0000 . height 27674 4 100 1910196943.0000 . volume 27674 4 101 41632852.0000 . height 27674 4 101 579559470.5000 . volume 27674 4 102 32557922.0000 . height 27674 4 102 408051739.5000 . volume 27674 4 103 154772048.0000 . height 27674 4 103 2084942514.0000 . volume 27674 4 104 84594976.0000 . height 27674 4 104 1074527373.0000 . volume 27674 4 105 147299040.0000 . height 27674 4 105 2886792434.0000 . volume 27674 4 106 98170144.0000 . height 27674 4 106 2041243413.0000 . volume 27674 4 107 14646467.0000 . height 27674 4 107 189973265.2500 . volume 27674 4 108 30551340.0000 . height 27674 4 108 593467023.5310 . volume 27674 4 109 15760938.0000 . height 27674 4 109 249703734.5000 . volume 27674 4 110 7502588.0000 . height 27674 4 110 97040755.8750 . volume 27674 4 111 11757421.0000 . height 27674 4 111 149712385.8750 . volume 27674 4 112 4679162.5000 . height 27674 4 112 69513814.1250 . volume 27674 4 113 24391136.0000 . height 27674 4 113 497149723.2500 . volume 27674 4 114 3488256.0000 . height 27674 4 114 20332833.5312 . volume 27674 4 115 7878512.5000 . height 27674 4 115 174030248.7500 . volume 27674 4 116 9555736.0000 . height 27674 4 116 119250962.8750 . volume 27674 4 117 2819187.7500 . height 27674 4 117 45767011.3906 . volume 27674 4 118 5474985.5000 . height 27674 4 118 77011462.2500 . volume 27674 4 119 214586032.0000 . height 27674 4 119 2947455713.0000 . volume 27674 4 120 446613888.0000 . height 27674 4 120 5698699632.0000 . volume 27674 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 44.628 . 66.7674371966 . . . . . . . . . . . 27674 4 1 2 8.212 . 17.7106810453 . . . . . . . . . . . 27674 4 1 3 109.987 . 24.1537421744 . . . . . . . . . . . 27674 4 2 1 55.944 . 70.4598964515 . . . . . . . . . . . 27674 4 2 2 8.210 . 19.4408713040 . . . . . . . . . . . 27674 4 2 3 109.971 . 23.7716138452 . . . . . . . . . . . 27674 4 3 1 56.493 . 73.3976298888 . . . . . . . . . . . 27674 4 3 2 8.494 . 22.4147063659 . . . . . . . . . . . 27674 4 3 3 109.935 . 26.0578878012 . . . . . . . . . . . 27674 4 4 1 45.503 . 69.3740898935 . . . . . . . . . . . 27674 4 4 2 8.493 . 20.9871802434 . . . . . . . . . . . 27674 4 4 3 109.935 . 25.9039321462 . . . . . . . . . . . 27674 4 5 1 52.940 . 74.9253895465 . . . . . . . . . . . 27674 4 5 2 8.309 . 18.6052523752 . . . . . . . . . . . 27674 4 5 3 107.446 . 24.5478881391 . . . . . . . . . . . 27674 4 6 1 45.616 . 62.9063648965 . . . . . . . . . . . 27674 4 6 2 8.308 . 18.7029628444 . . . . . . . . . . . 27674 4 6 3 107.433 . 23.9268687040 . . . . . . . . . . . 27674 4 7 1 59.562 . 80.7907421988 . . . . . . . . . . . 27674 4 7 2 8.000 . 18.1657434100 . . . . . . . . . . . 27674 4 7 3 118.529 . 29.4918459485 . . . . . . . . . . . 27674 4 8 1 58.202 . 82.2537196235 . . . . . . . . . . . 27674 4 8 2 7.998 . 17.3212189057 . . . . . . . . . . . 27674 4 8 3 118.527 . 25.1450347037 . . . . . . . . . . . 27674 4 9 1 59.148 . 77.3105535810 . . . . . . . . . . . 27674 4 9 2 8.299 . 18.2532939973 . . . . . . . . . . . 27674 4 9 3 115.876 . 25.8215139027 . . . . . . . . . . . 27674 4 10 1 56.612 . 77.5174470367 . . . . . . . . . . . 27674 4 10 2 8.298 . 18.5590938994 . . . . . . . . . . . 27674 4 10 3 115.885 . 24.2118815462 . . . . . . . . . . . 27674 4 11 1 59.317 . 74.2171379395 . . . . . . . . . . . 27674 4 11 2 7.603 . 19.6444452340 . . . . . . . . . . . 27674 4 11 3 117.176 . 23.6756351616 . . . . . . . . . . . 27674 4 12 1 57.079 . 76.2278196980 . . . . . . . . . . . 27674 4 12 2 7.602 . 19.0371100714 . . . . . . . . . . . 27674 4 12 3 117.177 . 24.3491505518 . . . . . . . . . . . 27674 4 13 1 62.031 . 74.0387947564 . . . . . . . . . . . 27674 4 13 2 8.085 . 17.3727708991 . . . . . . . . . . . 27674 4 13 3 115.342 . 24.1557721804 . . . . . . . . . . . 27674 4 14 1 57.015 . 75.4524813516 . . . . . . . . . . . 27674 4 14 2 8.085 . 17.4984524011 . . . . . . . . . . . 27674 4 14 3 115.335 . 23.9857388780 . . . . . . . . . . . 27674 4 15 1 45.450 . 63.4548373991 . . . . . . . . . . . 27674 4 15 2 8.240 . 18.7063494717 . . . . . . . . . . . 27674 4 15 3 108.710 . 23.8917902003 . . . . . . . . . . . 27674 4 16 1 63.376 . 70.0615369296 . . . . . . . . . . . 27674 4 16 2 8.032 . 15.5383477779 . . . . . . . . . . . 27674 4 16 3 120.154 . 24.1531737727 . . . . . . . . . . . 27674 4 17 1 58.105 . 76.9522028492 . . . . . . . . . . . 27674 4 17 2 8.031 . 15.4122899839 . . . . . . . . . . . 27674 4 17 3 120.145 . 25.1673647697 . . . . . . . . . . . 27674 4 18 1 59.705 . 78.0350647603 . . . . . . . . . . . 27674 4 18 2 8.104 . 17.7459270554 . . . . . . . . . . . 27674 4 18 3 119.090 . 24.6125235301 . . . . . . . . . . . 27674 4 19 1 55.701 . 71.3400898352 . . . . . . . . . . . 27674 4 19 2 8.370 . 19.0670879945 . . . . . . . . . . . 27674 4 19 3 109.439 . 23.6092133653 . . . . . . . . . . . 27674 4 20 1 45.470 . 66.8900881438 . . . . . . . . . . . 27674 4 20 2 8.369 . 19.0911706776 . . . . . . . . . . . 27674 4 20 3 109.440 . 24.7892964525 . . . . . . . . . . . 27674 4 21 1 62.440 . 68.9504448162 . . . . . . . . . . . 27674 4 21 2 8.112 . 15.3648772017 . . . . . . . . . . . 27674 4 21 3 122.373 . 13.6202846480 . . . . . . . . . . . 27674 4 22 1 57.789 . 97.4984129718 . . . . . . . . . . . 27674 4 22 2 8.090 . 17.5940305494 . . . . . . . . . . . 27674 4 22 3 122.411 . 25.1919684424 . . . . . . . . . . . 27674 4 23 1 54.200 . 79.5283848515 . . . . . . . . . . . 27674 4 23 2 8.091 . 17.6023089717 . . . . . . . . . . . 27674 4 23 3 122.415 . 28.5747298385 . . . . . . . . . . . 27674 4 24 1 58.290 . 76.6171532369 . . . . . . . . . . . 27674 4 24 2 8.114 . 19.7598414235 . . . . . . . . . . . 27674 4 24 3 116.946 . 25.6114894821 . . . . . . . . . . . 27674 4 25 1 55.881 . 77.4553533944 . . . . . . . . . . . 27674 4 25 2 8.430 . 21.8718425527 . . . . . . . . . . . 27674 4 25 3 122.042 . 25.6976226366 . . . . . . . . . . . 27674 4 26 1 56.905 . 69.1896013603 . . . . . . . . . . . 27674 4 26 2 8.424 . 16.9086775283 . . . . . . . . . . . 27674 4 26 3 122.100 . 27.1317203744 . . . . . . . . . . . 27674 4 27 1 58.574 . 71.1853038278 . . . . . . . . . . . 27674 4 27 2 8.433 . 17.8650861641 . . . . . . . . . . . 27674 4 27 3 121.998 . 24.6455111276 . . . . . . . . . . . 27674 4 28 1 58.795 . 70.2158748386 . . . . . . . . . . . 27674 4 28 2 8.308 . 21.7076538439 . . . . . . . . . . . 27674 4 28 3 110.134 . 26.9515776420 . . . . . . . . . . . 27674 4 29 1 45.493 . 71.8117454607 . . . . . . . . . . . 27674 4 29 2 8.308 . 24.9489070319 . . . . . . . . . . . 27674 4 29 3 110.131 . 31.7522982282 . . . . . . . . . . . 27674 4 30 1 61.887 . 72.5160281957 . . . . . . . . . . . 27674 4 30 2 8.287 . 23.0008437502 . . . . . . . . . . . 27674 4 30 3 117.712 . 24.9698045859 . . . . . . . . . . . 27674 4 31 1 58.610 . 77.1416844795 . . . . . . . . . . . 27674 4 31 2 8.286 . 22.3070868761 . . . . . . . . . . . 27674 4 31 3 117.696 . 26.2601981990 . . . . . . . . . . . 27674 4 32 1 58.154 . 83.4122461586 . . . . . . . . . . . 27674 4 32 2 8.623 . 26.8639820551 . . . . . . . . . . . 27674 4 32 3 118.433 . 27.7127486913 . . . . . . . . . . . 27674 4 33 1 58.485 . 95.9805114800 . . . . . . . . . . . 27674 4 33 2 7.835 . 16.7527672418 . . . . . . . . . . . 27674 4 33 3 121.035 . 24.5599869749 . . . . . . . . . . . 27674 4 34 1 55.863 . 90.4144885922 . . . . . . . . . . . 27674 4 34 2 8.252 . 19.2473318253 . . . . . . . . . . . 27674 4 34 3 120.783 . 29.0262843728 . . . . . . . . . . . 27674 4 35 1 56.842 . 73.2628162694 . . . . . . . . . . . 27674 4 35 2 8.220 . 15.4464071182 . . . . . . . . . . . 27674 4 35 3 120.757 . 23.9907732928 . . . . . . . . . . . 27674 4 36 1 45.480 . 66.6401772369 . . . . . . . . . . . 27674 4 36 2 8.220 . 19.0113967900 . . . . . . . . . . . 27674 4 36 3 120.757 . 23.5475823832 . . . . . . . . . . . 27674 4 37 1 58.728 . 84.4048482390 . . . . . . . . . . . 27674 4 37 2 8.353 . 24.7778196379 . . . . . . . . . . . 27674 4 37 3 117.479 . 26.3813489570 . . . . . . . . . . . 27674 4 38 1 64.906 . 79.1045957425 . . . . . . . . . . . 27674 4 38 2 8.030 . 20.0939886505 . . . . . . . . . . . 27674 4 38 3 114.545 . 27.4409714882 . . . . . . . . . . . 27674 4 39 1 60.746 . 75.1161514580 . . . . . . . . . . . 27674 4 39 2 8.032 . 18.5846817502 . . . . . . . . . . . 27674 4 39 3 114.577 . 19.9206112655 . . . . . . . . . . . 27674 4 40 1 62.354 . 176.4819741220 . . . . . . . . . . . 27674 4 40 2 8.183 . 18.5893226839 . . . . . . . . . . . 27674 4 40 3 124.305 . 23.1803238480 . . . . . . . . . . . 27674 4 41 1 61.937 . 145.2843358190 . . . . . . . . . . . 27674 4 41 2 8.182 . 18.1942161655 . . . . . . . . . . . 27674 4 41 3 124.312 . 23.5384575062 . . . . . . . . . . . 27674 4 42 1 63.463 . 78.6803265281 . . . . . . . . . . . 27674 4 42 2 8.513 . 19.6439435114 . . . . . . . . . . . 27674 4 42 3 118.210 . 25.3272074420 . . . . . . . . . . . 27674 4 43 1 53.481 . 75.3565882834 . . . . . . . . . . . 27674 4 43 2 8.513 . 20.3300491164 . . . . . . . . . . . 27674 4 43 3 118.213 . 24.8275417655 . . . . . . . . . . . 27674 4 44 1 56.538 . 104.7889747510 . . . . . . . . . . . 27674 4 44 2 8.342 . 20.6807531880 . . . . . . . . . . . 27674 4 44 3 122.081 . 24.0189903762 . . . . . . . . . . . 27674 4 45 1 58.594 . 75.7993095518 . . . . . . . . . . . 27674 4 45 2 8.175 . 17.9311881118 . . . . . . . . . . . 27674 4 45 3 115.628 . 23.8464804665 . . . . . . . . . . . 27674 4 46 1 56.626 . 69.9616109753 . . . . . . . . . . . 27674 4 46 2 8.175 . 17.9316898343 . . . . . . . . . . . 27674 4 46 3 115.630 . 22.3032699063 . . . . . . . . . . . 27674 4 47 1 52.809 . 75.3337992765 . . . . . . . . . . . 27674 4 47 2 8.276 . 18.6236906794 . . . . . . . . . . . 27674 4 47 3 125.841 . 24.6499720658 . . . . . . . . . . . 27674 4 48 1 58.521 . 76.0319366614 . . . . . . . . . . . 27674 4 48 2 8.275 . 17.7158237016 . . . . . . . . . . . 27674 4 48 3 125.854 . 23.2576036388 . . . . . . . . . . . 27674 4 49 1 57.065 . 85.5952537781 . . . . . . . . . . . 27674 4 49 2 7.637 . 20.2788734150 . . . . . . . . . . . 27674 4 49 3 123.272 . 23.9630840110 . . . . . . . . . . . 27674 4 50 1 52.267 . 85.8564311603 . . . . . . . . . . . 27674 4 50 2 7.636 . 19.2127129685 . . . . . . . . . . . 27674 4 50 3 123.291 . 25.2211396286 . . . . . . . . . . . 27674 4 51 1 58.261 . 76.6664440664 . . . . . . . . . . . 27674 4 51 2 8.244 . 18.1150694311 . . . . . . . . . . . 27674 4 51 3 116.895 . 25.5576537230 . . . . . . . . . . . 27674 4 52 1 56.427 . 86.2003147135 . . . . . . . . . . . 27674 4 52 2 8.244 . 19.6112061142 . . . . . . . . . . . 27674 4 52 3 116.894 . 24.0996628146 . . . . . . . . . . . 27674 4 53 1 61.909 . 79.6717123414 . . . . . . . . . . . 27674 4 53 2 7.973 . 18.6478987931 . . . . . . . . . . . 27674 4 53 3 112.806 . 24.4119589374 . . . . . . . . . . . 27674 4 54 1 45.610 . 63.9876904700 . . . . . . . . . . . 27674 4 54 2 7.974 . 18.5602227752 . . . . . . . . . . . 27674 4 54 3 112.811 . 23.0617613476 . . . . . . . . . . . 27674 4 55 1 58.140 . 74.1687433069 . . . . . . . . . . . 27674 4 55 2 8.318 . 18.8469572200 . . . . . . . . . . . 27674 4 55 3 122.235 . 28.6730024288 . . . . . . . . . . . 27674 4 56 1 56.263 . 87.6510014379 . . . . . . . . . . . 27674 4 56 2 8.320 . 24.5733676935 . . . . . . . . . . . 27674 4 56 3 122.224 . 27.3616591538 . . . . . . . . . . . 27674 4 57 1 59.561 . 76.9858742470 . . . . . . . . . . . 27674 4 57 2 7.878 . 18.5868140711 . . . . . . . . . . . 27674 4 57 3 115.806 . 24.8886855462 . . . . . . . . . . . 27674 4 58 1 56.295 . 70.6128900651 . . . . . . . . . . . 27674 4 58 2 7.879 . 18.9662417594 . . . . . . . . . . . 27674 4 58 3 115.791 . 22.3531268536 . . . . . . . . . . . 27674 4 59 1 62.435 . 72.0259365197 . . . . . . . . . . . 27674 4 59 2 8.110 . 16.9232274826 . . . . . . . . . . . 27674 4 59 3 122.946 . 24.2166723604 . . . . . . . . . . . 27674 4 60 1 55.255 . 77.9465973235 . . . . . . . . . . . 27674 4 60 2 8.110 . 17.6536101038 . . . . . . . . . . . 27674 4 60 3 122.929 . 25.0123332116 . . . . . . . . . . . 27674 4 61 1 58.572 . 66.3207470562 . . . . . . . . . . . 27674 4 61 2 8.037 . 17.9039696627 . . . . . . . . . . . 27674 4 61 3 119.636 . 34.5544373085 . . . . . . . . . . . 27674 4 62 1 58.759 . 100.7459744800 . . . . . . . . . . . 27674 4 62 2 8.228 . 25.7558023439 . . . . . . . . . . . 27674 4 62 3 117.599 . 35.5362294097 . . . . . . . . . . . 27674 4 63 1 58.191 . 59.8846450069 . . . . . . . . . . . 27674 4 63 2 8.199 . 13.7071858534 . . . . . . . . . . . 27674 4 63 3 116.997 . 35.9447478169 . . . . . . . . . . . 27674 4 64 1 53.459 . 61.8642159302 . . . . . . . . . . . 27674 4 64 2 8.239 . 16.7586624819 . . . . . . . . . . . 27674 4 64 3 120.472 . 23.6108373701 . . . . . . . . . . . 27674 4 65 1 62.025 . 73.6278244639 . . . . . . . . . . . 27674 4 65 2 8.144 . 16.8000545934 . . . . . . . . . . . 27674 4 65 3 125.406 . 23.6008700407 . . . . . . . . . . . 27674 4 66 1 55.255 . 77.9021715629 . . . . . . . . . . . 27674 4 66 2 8.144 . 16.5207205564 . . . . . . . . . . . 27674 4 66 3 125.402 . 24.3149652508 . . . . . . . . . . . 27674 4 67 1 61.023 . 71.7819149067 . . . . . . . . . . . 27674 4 67 2 7.961 . 21.0679575760 . . . . . . . . . . . 27674 4 67 3 119.894 . 24.1062400340 . . . . . . . . . . . 27674 4 68 1 57.717 . 82.1936744312 . . . . . . . . . . . 27674 4 68 2 7.960 . 19.0288316491 . . . . . . . . . . . 27674 4 68 3 119.870 . 25.4003688582 . . . . . . . . . . . 27674 4 69 1 64.916 . 79.9746909075 . . . . . . . . . . . 27674 4 69 2 8.062 . 20.6205464804 . . . . . . . . . . . 27674 4 69 3 117.195 . 21.5332480308 . . . . . . . . . . . 27674 4 70 1 61.047 . 80.1969477387 . . . . . . . . . . . 27674 4 70 2 8.061 . 19.3563310521 . . . . . . . . . . . 27674 4 70 3 117.196 . 23.2013851602 . . . . . . . . . . . 27674 4 71 1 58.081 . 74.8650882980 . . . . . . . . . . . 27674 4 71 2 8.058 . 17.8151647691 . . . . . . . . . . . 27674 4 71 3 117.112 . 24.1881710762 . . . . . . . . . . . 27674 4 72 1 56.160 . 66.9183823602 . . . . . . . . . . . 27674 4 72 2 8.396 . 14.9544681452 . . . . . . . . . . . 27674 4 72 3 121.626 . 21.8013306230 . . . . . . . . . . . 27674 4 73 1 57.043 . 72.6041115481 . . . . . . . . . . . 27674 4 73 2 8.395 . 14.9833171925 . . . . . . . . . . . 27674 4 73 3 121.553 . 26.1565866928 . . . . . . . . . . . 27674 4 74 1 45.457 . 61.8721536742 . . . . . . . . . . . 27674 4 74 2 8.188 . 43.9866442565 . . . . . . . . . . . 27674 4 74 3 120.742 . 23.5855028953 . . . . . . . . . . . 27674 4 75 1 56.507 . 84.9663796108 . . . . . . . . . . . 27674 4 75 2 8.186 . 19.3922042154 . . . . . . . . . . . 27674 4 75 3 120.742 . 25.2684184683 . . . . . . . . . . . 27674 4 76 1 58.585 . 71.6800045164 . . . . . . . . . . . 27674 4 76 2 8.226 . 16.4813353352 . . . . . . . . . . . 27674 4 76 3 125.585 . 23.8469981180 . . . . . . . . . . . 27674 4 77 1 52.945 . 78.3214636839 . . . . . . . . . . . 27674 4 77 2 8.226 . 17.0593197278 . . . . . . . . . . . 27674 4 77 3 125.596 . 24.9006016814 . . . . . . . . . . . 27674 4 78 1 59.135 . 73.5938970098 . . . . . . . . . . . 27674 4 78 2 8.252 . 19.1040900336 . . . . . . . . . . . 27674 4 78 3 122.311 . 24.8877720435 . . . . . . . . . . . 27674 4 79 1 56.623 . 78.2286432907 . . . . . . . . . . . 27674 4 79 2 8.251 . 17.8966946856 . . . . . . . . . . . 27674 4 79 3 122.314 . 25.5106590841 . . . . . . . . . . . 27674 4 80 1 58.258 . 94.2869553958 . . . . . . . . . . . 27674 4 80 2 8.039 . 18.5376452599 . . . . . . . . . . . 27674 4 80 3 121.831 . 24.1930227905 . . . . . . . . . . . 27674 4 81 1 63.423 . 74.2733422879 . . . . . . . . . . . 27674 4 81 2 8.201 . 16.9592260765 . . . . . . . . . . . 27674 4 81 3 108.922 . 23.1371963705 . . . . . . . . . . . 27674 4 82 1 44.667 . 65.5181387184 . . . . . . . . . . . 27674 4 82 2 8.200 . 15.6385668599 . . . . . . . . . . . 27674 4 82 3 108.935 . 24.3582043786 . . . . . . . . . . . 27674 4 83 1 57.745 . 87.2506574800 . . . . . . . . . . . 27674 4 83 2 8.143 . 18.3891353812 . . . . . . . . . . . 27674 4 83 3 119.039 . 26.0450581633 . . . . . . . . . . . 27674 4 84 1 57.717 . 85.4336822799 . . . . . . . . . . . 27674 4 84 2 7.792 . 17.0624554938 . . . . . . . . . . . 27674 4 84 3 117.843 . 24.8151181288 . . . . . . . . . . . 27674 4 85 1 56.278 . 80.2550725090 . . . . . . . . . . . 27674 4 85 2 7.792 . 18.9609736725 . . . . . . . . . . . 27674 4 85 3 117.826 . 26.7152443437 . . . . . . . . . . . 27674 4 86 1 58.766 . 73.5804540563 . . . . . . . . . . . 27674 4 86 2 8.339 . 19.5348188540 . . . . . . . . . . . 27674 4 86 3 110.557 . 26.9025326971 . . . . . . . . . . . 27674 4 87 1 45.491 . 68.3270758584 . . . . . . . . . . . 27674 4 87 2 8.338 . 18.6862805692 . . . . . . . . . . . 27674 4 87 3 110.555 . 26.6223918693 . . . . . . . . . . . 27674 4 88 1 60.723 . 88.6894375884 . . . . . . . . . . . 27674 4 88 2 8.017 . 19.2214931133 . . . . . . . . . . . 27674 4 88 3 112.918 . 25.8917521102 . . . . . . . . . . . 27674 4 89 1 54.184 . 73.1109749090 . . . . . . . . . . . 27674 4 89 2 8.017 . 18.2924283572 . . . . . . . . . . . 27674 4 89 3 112.918 . 24.1649478075 . . . . . . . . . . . 27674 4 90 1 57.046 . 69.2451655680 . . . . . . . . . . . 27674 4 90 2 8.392 . 16.2245788135 . . . . . . . . . . . 27674 4 90 3 120.699 . 24.4064373211 . . . . . . . . . . . 27674 4 91 1 45.434 . 64.6132359060 . . . . . . . . . . . 27674 4 91 2 8.393 . 16.4149825262 . . . . . . . . . . . 27674 4 91 3 120.675 . 24.6443946243 . . . . . . . . . . . 27674 4 92 1 56.053 . 73.2365705031 . . . . . . . . . . . 27674 4 92 2 8.390 . 16.9656230392 . . . . . . . . . . . 27674 4 92 3 120.671 . 24.8062267025 . . . . . . . . . . . 27674 4 93 1 58.751 . 88.3259657315 . . . . . . . . . . . 27674 4 93 2 8.063 . 16.5586006099 . . . . . . . . . . . 27674 4 93 3 123.694 . 24.1640647549 . . . . . . . . . . . 27674 4 94 1 58.289 . 185.6114679260 . . . . . . . . . . . 27674 4 94 2 8.063 . 16.4011851557 . . . . . . . . . . . 27674 4 94 3 123.688 . 23.2233295250 . . . . . . . . . . . 27674 4 95 1 59.718 . 78.6342364018 . . . . . . . . . . . 27674 4 95 2 8.495 . 19.9162534325 . . . . . . . . . . . 27674 4 95 3 109.603 . 27.0970072718 . . . . . . . . . . . 27674 4 96 1 46.057 . 79.2291831151 . . . . . . . . . . . 27674 4 96 2 8.494 . 18.0532321252 . . . . . . . . . . . 27674 4 96 3 109.602 . 27.0102854155 . . . . . . . . . . . 27674 4 97 1 57.956 . 68.7874650086 . . . . . . . . . . . 27674 4 97 2 8.161 . 14.1819408287 . . . . . . . . . . . 27674 4 97 3 117.143 . 30.0025548577 . . . . . . . . . . . 27674 4 98 1 58.526 . 74.9771129104 . . . . . . . . . . . 27674 4 98 2 8.125 . 20.3957747722 . . . . . . . . . . . 27674 4 98 3 114.406 . 24.7815824297 . . . . . . . . . . . 27674 4 99 1 52.801 . 74.6434716075 . . . . . . . . . . . 27674 4 99 2 8.125 . 19.7400233822 . . . . . . . . . . . 27674 4 99 3 114.402 . 24.2378656230 . . . . . . . . . . . 27674 4 100 1 58.515 . 77.0425907080 . . . . . . . . . . . 27674 4 100 2 8.208 . 18.0092059703 . . . . . . . . . . . 27674 4 100 3 116.476 . 26.3674231159 . . . . . . . . . . . 27674 4 101 1 56.534 . 73.5138794295 . . . . . . . . . . . 27674 4 101 2 8.209 . 18.4283951718 . . . . . . . . . . . 27674 4 101 3 116.479 . 27.6720673711 . . . . . . . . . . . 27674 4 102 1 44.712 . 65.0377771802 . . . . . . . . . . . 27674 4 102 2 8.394 . 15.5491348130 . . . . . . . . . . . 27674 4 102 3 109.969 . 28.9389535147 . . . . . . . . . . . 27674 4 103 1 56.611 . 78.0231581444 . . . . . . . . . . . 27674 4 103 2 8.208 . 16.8341717276 . . . . . . . . . . . 27674 4 103 3 119.527 . 24.6469524319 . . . . . . . . . . . 27674 4 104 1 46.067 . 73.0474729572 . . . . . . . . . . . 27674 4 104 2 8.209 . 17.2755621525 . . . . . . . . . . . 27674 4 104 3 119.529 . 24.7043204014 . . . . . . . . . . . 27674 4 105 1 56.850 . 160.1393755580 . . . . . . . . . . . 27674 4 105 2 8.344 . 21.5445940109 . . . . . . . . . . . 27674 4 105 3 122.023 . 24.9706165883 . . . . . . . . . . . 27674 4 106 1 56.078 . 134.4891960630 . . . . . . . . . . . 27674 4 106 2 8.255 . 18.1182051972 . . . . . . . . . . . 27674 4 106 3 120.759 . 25.7518440968 . . . . . . . . . . . 27674 4 107 1 63.007 . 85.0014593180 . . . . . . . . . . . 27674 4 107 2 8.313 . 15.5211637801 . . . . . . . . . . . 27674 4 107 3 121.943 . 26.1671630241 . . . . . . . . . . . 27674 4 108 1 57.992 . 67.3115567429 . . . . . . . . . . . 27674 4 108 2 8.317 . 15.4741272898 . . . . . . . . . . . 27674 4 108 3 121.910 . 47.3333453702 . . . . . . . . . . . 27674 4 109 1 58.645 . 274.1365173970 . . . . . . . . . . . 27674 4 109 2 8.142 . 19.5008271503 . . . . . . . . . . . 27674 4 109 3 119.035 . 24.5768766248 . . . . . . . . . . . 27674 4 110 1 63.046 . 66.4890080241 . . . . . . . . . . . 27674 4 110 2 8.395 . 12.9546020088 . . . . . . . . . . . 27674 4 110 3 109.978 . 29.0610786756 . . . . . . . . . . . 27674 4 111 1 56.909 . 68.9852684671 . . . . . . . . . . . 27674 4 111 2 7.368 . 14.0040801801 . . . . . . . . . . . 27674 4 111 3 117.497 . 26.4826868565 . . . . . . . . . . . 27674 4 112 1 59.226 . 83.8823654465 . . . . . . . . . . . 27674 4 112 2 7.368 . 12.4060938167 . . . . . . . . . . . 27674 4 112 3 117.456 . 28.3330779244 . . . . . . . . . . . 27674 4 113 1 58.168 . 152.0033160180 . . . . . . . . . . . 27674 4 113 2 7.836 . 17.2784470572 . . . . . . . . . . . 27674 4 113 3 121.064 . 23.5902125092 . . . . . . . . . . . 27674 4 115 1 59.571 . 137.3833999370 . . . . . . . . . . . 27674 4 115 2 8.041 . 20.4911020591 . . . . . . . . . . . 27674 4 115 3 119.603 . 59.7961002977 . . . . . . . . . . . 27674 4 116 1 64.849 . 68.1670406977 . . . . . . . . . . . 27674 4 116 2 8.624 . 19.3730133274 . . . . . . . . . . . 27674 4 116 3 118.466 . 22.9555920339 . . . . . . . . . . . 27674 4 117 1 59.328 . 82.3210624191 . . . . . . . . . . . 27674 4 117 2 8.681 . 37.8312609916 . . . . . . . . . . . 27674 4 117 3 119.589 . 22.6499949308 . . . . . . . . . . . 27674 4 118 1 51.925 . 64.0363411588 . . . . . . . . . . . 27674 4 118 2 8.673 . 33.5080430964 . . . . . . . . . . . 27674 4 118 3 119.546 . 30.7652281114 . . . . . . . . . . . 27674 4 119 1 61.925 . 79.3609240594 . . . . . . . . . . . 27674 4 119 2 7.884 . 16.1084300402 . . . . . . . . . . . 27674 4 119 3 110.184 . 24.4372122121 . . . . . . . . . . . 27674 4 120 1 55.880 . 74.2084320267 . . . . . . . . . . . 27674 4 120 2 7.884 . 16.0340496702 . . . . . . . . . . . 27674 4 120 3 110.183 . 24.6587264666 . . . . . . . . . . . 27674 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 . . 44.628 . . 1 . 1 1 44 GLY CA . . . . . . . . . . 277 . 27674 4 1 2 1 . . 8.212 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 4 1 3 1 . . 109.987 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 4 2 1 1 . . 55.944 . . 1 . 1 1 43 GLN CA . . . . . . . . . . 278 . 27674 4 2 2 1 . . 8.210 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 4 2 3 1 . . 109.971 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 4 3 2 1 . . 8.494 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 4 3 3 1 . . 109.935 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 4 4 1 1 . . 45.503 . . 1 . 1 1 52 GLY CA . . . . . . . . . . 284 . 27674 4 4 2 1 . . 8.493 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 4 4 3 1 . . 109.935 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 4 5 1 1 . . 52.940 . . 1 . 1 1 23 ALA CA . . . . . . . . . . 134 . 27674 4 5 2 1 . . 8.309 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 4 5 3 1 . . 107.446 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 4 6 1 1 . . 45.616 . . 1 . 1 1 24 GLY CA . . . . . . . . . . 205 . 27674 4 6 2 1 . . 8.308 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 4 6 3 1 . . 107.433 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 4 7 1 1 . . 59.562 . . 1 . 1 1 7 PHE CA . . . . . . . . . . 199 . 27674 4 7 2 1 . . 8.000 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 4 7 3 1 . . 118.529 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 4 8 1 1 . . 58.202 . . 1 . 1 1 6 ARG CA . . . . . . . . . . 202 . 27674 4 8 2 1 . . 7.998 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 4 8 3 1 . . 118.527 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 4 9 1 1 . . 59.148 . . 1 . 1 1 20 SER CA . . . . . . . . . . 157 . 27674 4 9 2 1 . . 8.299 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 4 9 3 1 . . 115.876 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 4 10 2 1 . . 8.298 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 4 10 3 1 . . 115.885 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 4 11 1 1 . . 59.317 . . 1 . 1 1 2 PHE CA . . . . . . . . . . 253 . 27674 4 11 2 1 . . 7.603 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 4 11 3 1 . . 117.176 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 4 12 1 1 . . 57.079 . . 1 . 1 1 3 PHE CA . . . . . . . . . . 249 . 27674 4 12 2 1 . . 7.602 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 4 12 3 1 . . 117.177 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 4 13 1 1 . . 62.031 . . 1 . 1 1 67 THR CA . . . . . . . . . . 234 . 27674 4 13 2 1 . . 8.085 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 4 13 3 1 . . 115.342 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 4 14 1 1 . . 57.015 . . 1 . 1 1 66 GLU CA . . . . . . . . . . 236 . 27674 4 14 2 1 . . 8.085 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 4 14 3 1 . . 115.335 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 4 15 1 1 . . 45.450 . . 1 . 1 1 53 GLY CA . . . . . . . . . . 140 . 27674 4 15 2 1 . . 8.240 . . 1 . 1 1 53 GLY H . . . . . . . . . . 16 . 27674 4 15 3 1 . . 108.710 . . 1 . 1 1 53 GLY N . . . . . . . . . . 15 . 27674 4 16 1 1 . . 63.376 . . 1 . 1 1 62 PRO CA . . . . . . . . . . 271 . 27674 4 16 2 1 . . 8.032 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 4 16 3 1 . . 120.154 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 4 17 1 1 . . 58.105 . . 1 . 1 1 63 TYR CA . . . . . . . . . . 272 . 27674 4 17 2 1 . . 8.031 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 4 17 3 1 . . 120.145 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 4 18 1 1 . . 59.705 . . 1 . 1 1 17 CYS CA . . . . . . . . . . 183 . 27674 4 18 2 1 . . 8.104 . . 1 . 1 1 17 CYS H . . . . . . . . . . 20 . 27674 4 18 3 1 . . 119.090 . . 1 . 1 1 17 CYS N . . . . . . . . . . 19 . 27674 4 19 2 1 . . 8.370 . . 1 . 1 1 53 GLY H . . . . . . . . . . 22 . 27674 4 19 3 1 . . 109.439 . . 1 . 1 1 53 GLY N . . . . . . . . . . 21 . 27674 4 20 2 2 . . 8.369 . . 1 . 1 1 50 GLY H . . . . . . . . . . 285 . 27674 4 20 3 2 . . 109.440 . . 1 . 1 1 50 GLY N . . . . . . . . . . 286 . 27674 4 21 2 2 . . 8.112 . . 1 . . . . . . . . . . . . . . . . 177 . 27674 4 21 3 2 . . 122.373 . . 1 . . . . . . . . . . . . . . . . 178 . 27674 4 22 1 1 . . 57.789 . . 1 . 1 1 9 GLN CA . . . . . . . . . . 195 . 27674 4 22 2 1 . . 8.090 . . 1 . 1 1 10 ALA H . . . . . . . . . . 24 . 27674 4 22 3 1 . . 122.411 . . 1 . 1 1 10 ALA N . . . . . . . . . . 23 . 27674 4 23 1 1 . . 54.200 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 194 . 27674 4 23 2 1 . . 8.091 . . 1 . 1 1 10 ALA H . . . . . . . . . . 24 . 27674 4 23 3 1 . . 122.415 . . 1 . 1 1 10 ALA N . . . . . . . . . . 23 . 27674 4 24 2 1 . . 8.114 . . 1 . 1 1 64 SER H . . . . . . . . . . 26 . 27674 4 24 3 1 . . 116.946 . . 1 . 1 1 64 SER N . . . . . . . . . . 25 . 27674 4 25 2 1 . . 8.430 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 4 25 3 1 . . 122.042 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 4 26 2 1 . . 8.424 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 4 26 3 1 . . 122.100 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 4 27 2 1 . . 8.433 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 4 27 3 1 . . 121.998 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 4 28 2 1 . . 8.308 . . 1 . . . . . . . . . . . . . . . . 32 . 27674 4 28 3 1 . . 110.134 . . 1 . . . . . . . . . . . . . . . . 31 . 27674 4 29 2 1 . . 8.308 . . 1 . . . . . . . . . . . . . . . . 32 . 27674 4 29 3 1 . . 110.131 . . 1 . . . . . . . . . . . . . . . . 31 . 27674 4 30 1 1 . . 61.887 . . 1 . 1 1 25 THR CA . . . . . . . . . . 239 . 27674 4 30 2 1 . . 8.287 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 4 30 3 1 . . 117.712 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 4 31 1 1 . . 58.610 . . 1 . 1 1 26 SER CA . . . . . . . . . . 243 . 27674 4 31 2 1 . . 8.286 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 4 31 3 1 . . 117.696 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 4 32 1 1 . . 58.154 . . 1 . 1 1 6 ARG CA . . . . . . . . . . 202 . 27674 4 32 2 1 . . 8.623 . . 1 . 1 1 6 ARG H . . . . . . . . . . 38 . 27674 4 32 3 1 . . 118.433 . . 1 . 1 1 6 ARG N . . . . . . . . . . 37 . 27674 4 33 2 1 . . 7.835 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 4 33 3 1 . . 121.035 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 4 34 2 1 . . 8.252 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 4 34 3 1 . . 120.783 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 4 35 1 1 . . 56.842 . . 1 . . . . . . . . . . . . . . . . 154 . 27674 4 35 2 2 . . 8.220 . . 1 . . . . . . . . . . . . . . . . 116 . 27674 4 35 3 2 . . 120.757 . . 1 . . . . . . . . . . . . . . . . 115 . 27674 4 36 2 2 . . 8.220 . . 1 . . . . . . . . . . . . . . . . 116 . 27674 4 36 3 2 . . 120.757 . . 1 . . . . . . . . . . . . . . . . 115 . 27674 4 37 2 1 . . 8.353 . . 1 . . . . . . . . . . . . . . . . 44 . 27674 4 37 3 1 . . 117.479 . . 1 . . . . . . . . . . . . . . . . 43 . 27674 4 38 1 4 . . 64.906 . . 1 . 1 1 12 THR CA . . . . . . . . . . 212 . 27674 4 38 2 3 . . 8.030 . . 1 . 1 1 12 THR H . . . . . . . . . . 46 . 27674 4 38 3 3 . . 114.545 . . 1 . 1 1 12 THR N . . . . . . . . . . 45 . 27674 4 39 1 1 . . 60.746 . . 1 . 1 1 11 SER CA . . . . . . . . . . 192 . 27674 4 39 2 2 . . 8.032 . . 1 . 1 1 12 THR H . . . . . . . . . . 46 . 27674 4 39 3 2 . . 114.577 . . 1 . 1 1 12 THR N . . . . . . . . . . 45 . 27674 4 40 1 1 . . 62.354 . . 1 . 1 1 69 VAL CA . . . . . . . . . . 228 . 27674 4 40 2 1 . . 8.183 . . 1 . 1 1 70 VAL H . . . . . . . . . . 48 . 27674 4 40 3 1 . . 124.305 . . 1 . 1 1 70 VAL N . . . . . . . . . . 47 . 27674 4 41 1 1 . . 61.937 . . 1 . 1 1 70 VAL CA . . . . . . . . . . 224 . 27674 4 41 2 1 . . 8.182 . . 1 . 1 1 70 VAL H . . . . . . . . . . 48 . 27674 4 41 3 1 . . 124.312 . . 1 . 1 1 70 VAL N . . . . . . . . . . 47 . 27674 4 42 1 1 . . 63.463 . . 1 . 1 1 47 PRO CA . . . . . . . . . . 302 . 27674 4 42 2 1 . . 8.513 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 4 42 3 1 . . 118.210 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 4 43 1 1 . . 53.481 . . 1 . 1 1 48 ASN CA . . . . . . . . . . 301 . 27674 4 43 2 1 . . 8.513 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 4 43 3 1 . . 118.213 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 4 44 2 4 . . 8.342 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 4 44 3 4 . . 122.081 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 4 45 1 1 . . 58.594 . . 1 . 1 1 22 SER CA . . . . . . . . . . 135 . 27674 4 45 2 1 . . 8.175 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 4 45 3 1 . . 115.628 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 4 46 1 1 . . 56.626 . . 1 . 1 1 21 ARG CA . . . . . . . . . . 137 . 27674 4 46 2 1 . . 8.175 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 4 46 3 1 . . 115.630 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 4 47 1 1 . . 52.809 . . 1 . 1 1 35 ALA CA . . . . . . . . . . 262 . 27674 4 47 2 1 . . 8.276 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 4 47 3 1 . . 125.841 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 4 48 1 1 . . 58.521 . . 1 . 1 1 34 SER CA . . . . . . . . . . 142 . 27674 4 48 2 1 . . 8.275 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 4 48 3 1 . . 125.854 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 4 49 1 1 . . 57.065 . . 1 . 1 1 3 PHE CA . . . . . . . . . . 249 . 27674 4 49 2 1 . . 7.637 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 4 49 3 1 . . 123.272 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 4 50 1 1 . . 52.267 . . 1 . 1 1 4 ASP CA . . . . . . . . . . 248 . 27674 4 50 2 1 . . 7.636 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 4 50 3 1 . . 123.291 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 4 51 1 1 . . 58.261 . . 1 . . . . . . . . . . . . . . . . 296 . 27674 4 51 2 1 . . 8.244 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 4 51 3 1 . . 116.895 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 4 52 2 1 . . 8.244 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 4 52 3 1 . . 116.894 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 4 53 1 1 . . 61.909 . . 1 . 1 1 25 THR CA . . . . . . . . . . 239 . 27674 4 53 2 1 . . 7.973 . . 1 . 1 1 25 THR H . . . . . . . . . . 64 . 27674 4 53 3 1 . . 112.806 . . 1 . 1 1 25 THR N . . . . . . . . . . 63 . 27674 4 54 1 1 . . 45.610 . . 1 . 1 1 24 GLY CA . . . . . . . . . . 205 . 27674 4 54 2 1 . . 7.974 . . 1 . 1 1 25 THR H . . . . . . . . . . 64 . 27674 4 54 3 1 . . 112.811 . . 1 . 1 1 25 THR N . . . . . . . . . . 63 . 27674 4 55 1 2 . . 58.140 . . 1 . 1 1 64 SER CA . . . . . . . . . . 311 . 27674 4 55 2 2 . . 8.318 . . 1 . 1 1 65 GLN H . . . . . . . . . . 128 . 27674 4 55 3 2 . . 122.235 . . 1 . 1 1 65 GLN N . . . . . . . . . . 127 . 27674 4 56 1 1 . . 56.263 . . 1 . 1 1 65 GLN CA . . . . . . . . . . 308 . 27674 4 56 2 2 . . 8.320 . . 1 . 1 1 65 GLN H . . . . . . . . . . 128 . 27674 4 56 3 2 . . 122.224 . . 1 . 1 1 65 GLN N . . . . . . . . . . 127 . 27674 4 57 1 1 . . 59.561 . . 1 . 1 1 16 CYS CA . . . . . . . . . . 188 . 27674 4 57 2 1 . . 7.878 . . 1 . 1 1 16 CYS H . . . . . . . . . . 68 . 27674 4 57 3 1 . . 115.806 . . 1 . 1 1 16 CYS N . . . . . . . . . . 67 . 27674 4 58 1 1 . . 56.295 . . 1 . 1 1 15 LEU CA . . . . . . . . . . 147 . 27674 4 58 2 1 . . 7.879 . . 1 . 1 1 16 CYS H . . . . . . . . . . 68 . 27674 4 58 3 1 . . 115.791 . . 1 . 1 1 16 CYS N . . . . . . . . . . 67 . 27674 4 59 1 1 . . 62.435 . . 1 . 1 1 69 VAL CA . . . . . . . . . . 228 . 27674 4 59 2 1 . . 8.110 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 4 59 3 1 . . 122.946 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 4 60 1 1 . . 55.255 . . 1 . 1 1 68 LEU CA . . . . . . . . . . 231 . 27674 4 60 2 1 . . 8.110 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 4 60 3 1 . . 122.929 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 4 61 1 1 . . 58.572 . . 1 . 1 1 8 ARG CA . . . . . . . . . . 198 . 27674 4 61 2 1 . . 8.037 . . 1 . 1 1 8 ARG H . . . . . . . . . . 72 . 27674 4 61 3 1 . . 119.636 . . 1 . 1 1 8 ARG N . . . . . . . . . . 71 . 27674 4 62 2 1 . . 8.228 . . 1 . . . . . . . . . . . . . . . . 74 . 27674 4 62 3 1 . . 117.599 . . 1 . . . . . . . . . . . . . . . . 73 . 27674 4 63 2 1 . . 8.199 . . 1 . . . . . . . . . . . . . . . . 76 . 27674 4 63 3 1 . . 116.997 . . 1 . . . . . . . . . . . . . . . . 75 . 27674 4 64 2 1 . . 8.239 . . 1 . . . . . . . . . . . . . . . . 82 . 27674 4 64 3 1 . . 120.472 . . 1 . . . . . . . . . . . . . . . . 81 . 27674 4 65 1 2 . . 62.025 . . 1 . 1 1 67 THR CA . . . . . . . . . . 234 . 27674 4 65 2 1 . . 8.144 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 4 65 3 1 . . 125.406 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 4 66 1 1 . . 55.255 . . 1 . 1 1 68 LEU CA . . . . . . . . . . 231 . 27674 4 66 2 1 . . 8.144 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 4 66 3 1 . . 125.402 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 4 67 1 1 . . 61.023 . . 1 . 1 1 13 SER CA . . . . . . . . . . 207 . 27674 4 67 2 1 . . 7.961 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 4 67 3 1 . . 119.894 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 4 68 1 1 . . 57.717 . . 1 . 1 1 14 MET CA . . . . . . . . . . 148 . 27674 4 68 2 1 . . 7.960 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 4 68 3 1 . . 119.870 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 4 69 1 1 . . 64.916 . . 1 . 1 1 12 THR CA . . . . . . . . . . 212 . 27674 4 69 2 1 . . 8.062 . . 1 . 1 1 13 SER H . . . . . . . . . . 90 . 27674 4 69 3 1 . . 117.195 . . 1 . 1 1 13 SER N . . . . . . . . . . 89 . 27674 4 70 1 1 . . 61.047 . . 1 . 1 1 13 SER CA . . . . . . . . . . 207 . 27674 4 70 2 1 . . 8.061 . . 1 . 1 1 13 SER H . . . . . . . . . . 90 . 27674 4 70 3 1 . . 117.196 . . 1 . 1 1 13 SER N . . . . . . . . . . 89 . 27674 4 71 2 2 . . 8.058 . . 1 . . . . . . . . . . . . . . . . 169 . 27674 4 71 3 2 . . 117.112 . . 1 . . . . . . . . . . . . . . . . 168 . 27674 4 72 1 1 . . 56.160 . . 1 . 1 1 65 GLN CA . . . . . . . . . . 308 . 27674 4 72 2 1 . . 8.396 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 4 72 3 1 . . 121.626 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 4 73 1 1 . . 57.043 . . 1 . 1 1 66 GLU CA . . . . . . . . . . 236 . 27674 4 73 2 1 . . 8.395 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 4 73 3 1 . . 121.553 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 4 74 1 1 . . 45.457 . . 1 . 1 1 50 GLY CA . . . . . . . . . . 312 . 27674 4 74 2 1 . . 8.188 . . 1 . 1 1 51 LYS H . . . . . . . . . . 94 . 27674 4 74 3 1 . . 120.742 . . 1 . 1 1 51 LYS N . . . . . . . . . . 93 . 27674 4 75 1 1 . . 56.507 . . 1 . 1 1 51 LYS CA . . . . . . . . . . 292 . 27674 4 75 2 1 . . 8.186 . . 1 . 1 1 51 LYS H . . . . . . . . . . 94 . 27674 4 75 3 1 . . 120.742 . . 1 . 1 1 51 LYS N . . . . . . . . . . 93 . 27674 4 76 2 1 . . 8.226 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 4 76 3 1 . . 125.585 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 4 77 1 1 . . 52.945 . . 1 . 1 1 23 ALA CA . . . . . . . . . . 134 . 27674 4 77 2 1 . . 8.226 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 4 77 3 1 . . 125.596 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 4 78 1 1 . . 59.135 . . 1 . 1 1 20 SER CA . . . . . . . . . . 157 . 27674 4 78 2 1 . . 8.252 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 4 78 3 1 . . 122.311 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 4 79 1 1 . . 56.623 . . 1 . 1 1 21 ARG CA . . . . . . . . . . 137 . 27674 4 79 2 1 . . 8.251 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 4 79 3 1 . . 122.314 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 4 80 1 1 . . 58.258 . . 1 . 1 1 37 TYR CA . . . . . . . . . . 306 . 27674 4 80 2 1 . . 8.039 . . 1 . 1 1 37 TYR H . . . . . . . . . . 100 . 27674 4 80 3 1 . . 121.831 . . 1 . 1 1 37 TYR N . . . . . . . . . . 99 . 27674 4 81 1 1 . . 63.423 . . 1 . 1 1 45 PRO CA . . . . . . . . . . 267 . 27674 4 81 2 1 . . 8.201 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 4 81 3 1 . . 108.922 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 4 82 1 1 . . 44.667 . . 1 . 1 1 46 GLY CA . . . . . . . . . . 266 . 27674 4 82 2 1 . . 8.200 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 4 82 3 1 . . 108.935 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 4 83 1 1 . . 57.745 . . 1 . 1 1 9 GLN CA . . . . . . . . . . 195 . 27674 4 83 2 1 . . 8.143 . . 1 . 1 1 9 GLN H . . . . . . . . . . 104 . 27674 4 83 3 1 . . 119.039 . . 1 . 1 1 9 GLN N . . . . . . . . . . 103 . 27674 4 84 1 1 . . 57.717 . . 1 . 1 1 14 MET CA . . . . . . . . . . 148 . 27674 4 84 2 1 . . 7.792 . . 1 . 1 1 15 LEU H . . . . . . . . . . 106 . 27674 4 84 3 1 . . 117.843 . . 1 . 1 1 15 LEU N . . . . . . . . . . 105 . 27674 4 85 1 1 . . 56.278 . . 1 . 1 1 15 LEU CA . . . . . . . . . . 147 . 27674 4 85 2 1 . . 7.792 . . 1 . 1 1 15 LEU H . . . . . . . . . . 106 . 27674 4 85 3 1 . . 117.826 . . 1 . 1 1 15 LEU N . . . . . . . . . . 105 . 27674 4 86 2 1 . . 8.339 . . 1 . . . . . . . . . . . . . . . . 108 . 27674 4 86 3 1 . . 110.557 . . 1 . . . . . . . . . . . . . . . . 107 . 27674 4 87 2 1 . . 8.338 . . 1 . . . . . . . . . . . . . . . . 108 . 27674 4 87 3 1 . . 110.555 . . 1 . . . . . . . . . . . . . . . . 107 . 27674 4 88 1 1 . . 60.723 . . 1 . 1 1 11 SER CA . . . . . . . . . . 192 . 27674 4 88 2 1 . . 8.017 . . 1 . 1 1 11 SER H . . . . . . . . . . 112 . 27674 4 88 3 1 . . 112.918 . . 1 . 1 1 11 SER N . . . . . . . . . . 111 . 27674 4 89 2 1 . . 8.017 . . 1 . 1 1 11 SER H . . . . . . . . . . 112 . 27674 4 89 3 1 . . 112.918 . . 1 . 1 1 11 SER N . . . . . . . . . . 111 . 27674 4 90 2 1 . . 8.392 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 4 90 3 1 . . 120.699 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 4 91 2 1 . . 8.393 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 4 91 3 1 . . 120.675 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 4 92 2 1 . . 8.390 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 4 92 3 1 . . 120.671 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 4 93 2 1 . . 8.063 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 4 93 3 1 . . 123.694 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 4 94 2 1 . . 8.063 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 4 94 3 1 . . 123.688 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 4 95 1 1 . . 59.718 . . 1 . 1 1 17 CYS CA . . . . . . . . . . 183 . 27674 4 95 2 1 . . 8.495 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 4 95 3 1 . . 109.603 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 4 96 1 1 . . 46.057 . . 1 . 1 1 18 GLY CA . . . . . . . . . . 164 . 27674 4 96 2 1 . . 8.494 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 4 96 3 1 . . 109.602 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 4 97 2 1 . . 8.161 . . 1 . . . . . . . . . . . . . . . . 122 . 27674 4 97 3 1 . . 117.143 . . 1 . . . . . . . . . . . . . . . . 121 . 27674 4 98 2 1 . . 8.125 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 4 98 3 1 . . 114.406 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 4 99 1 1 . . 52.801 . . 1 . 1 1 35 ALA CA . . . . . . . . . . 262 . 27674 4 99 2 1 . . 8.125 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 4 99 3 1 . . 114.402 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 4 100 1 1 . . 58.515 . . 1 . 1 1 34 SER CA . . . . . . . . . . 142 . 27674 4 100 2 1 . . 8.208 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 4 100 3 1 . . 116.476 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 4 101 2 1 . . 8.209 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 4 101 3 1 . . 116.479 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 4 102 2 1 . . 8.394 . . 1 . . . . . . . . . . . . . . . . 130 . 27674 4 102 3 1 . . 109.969 . . 1 . . . . . . . . . . . . . . . . 129 . 27674 4 103 1 1 . . 56.611 . . 1 . 1 1 19 GLN CA . . . . . . . . . . 160 . 27674 4 103 2 1 . . 8.208 . . 1 . 1 1 19 GLN H . . . . . . . . . . 132 . 27674 4 103 3 1 . . 119.527 . . 1 . 1 1 19 GLN N . . . . . . . . . . 131 . 27674 4 104 1 1 . . 46.067 . . 1 . 1 1 18 GLY CA . . . . . . . . . . 164 . 27674 4 104 2 1 . . 8.209 . . 1 . 1 1 19 GLN H . . . . . . . . . . 132 . 27674 4 104 3 1 . . 119.529 . . 1 . 1 1 19 GLN N . . . . . . . . . . 131 . 27674 4 105 2 3 . . 8.344 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 4 105 3 3 . . 122.023 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 4 106 2 1 . . 8.255 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 4 106 3 1 . . 120.759 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 4 107 2 1 . . 8.313 . . 1 . . . . . . . . . . . . . . . . 54 . 27674 4 107 3 1 . . 121.943 . . 1 . . . . . . . . . . . . . . . . 53 . 27674 4 108 2 1 . . 8.317 . . 1 . . . . . . . . . . . . . . . . 54 . 27674 4 108 3 1 . . 121.910 . . 1 . . . . . . . . . . . . . . . . 53 . 27674 4 109 1 1 . . 58.645 . . 1 . 1 1 8 ARG CA . . . . . . . . . . 198 . 27674 4 109 2 1 . . 8.142 . . 1 . 1 1 9 GLN H . . . . . . . . . . 104 . 27674 4 109 3 1 . . 119.035 . . 1 . 1 1 9 GLN N . . . . . . . . . . 103 . 27674 4 110 2 1 . . 8.395 . . 1 . . . . . . . . . . . . . . . . 130 . 27674 4 110 3 1 . . 109.978 . . 1 . . . . . . . . . . . . . . . . 129 . 27674 4 111 2 1 . . 7.368 . . 1 . . . . . . . . . . . . . . . . 30 . 27674 4 111 3 1 . . 117.497 . . 1 . . . . . . . . . . . . . . . . 29 . 27674 4 112 2 1 . . 7.368 . . 1 . . . . . . . . . . . . . . . . 30 . 27674 4 112 3 1 . . 117.456 . . 1 . . . . . . . . . . . . . . . . 29 . 27674 4 113 2 1 . . 7.836 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 4 113 3 1 . . 121.064 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 4 115 1 1 . . 59.571 . . 1 . 1 1 7 PHE CA . . . . . . . . . . 199 . 27674 4 115 2 1 . . 8.041 . . 1 . 1 1 8 ARG H . . . . . . . . . . 72 . 27674 4 115 3 1 . . 119.603 . . 1 . 1 1 8 ARG N . . . . . . . . . . 71 . 27674 4 116 1 1 . . 64.849 . . 1 . 1 1 5 PRO CA . . . . . . . . . . 221 . 27674 4 116 2 1 . . 8.624 . . 1 . 1 1 6 ARG H . . . . . . . . . . 38 . 27674 4 116 3 1 . . 118.466 . . 1 . 1 1 6 ARG N . . . . . . . . . . 37 . 27674 4 117 1 1 . . 59.328 . . 1 . 1 1 2 PHE CA . . . . . . . . . . 253 . 27674 4 117 2 1 . . 8.681 . . 1 . 1 1 2 PHE H . . . . . . . . . . 180 . 27674 4 117 3 1 . . 119.589 . . 1 . 1 1 2 PHE N . . . . . . . . . . 179 . 27674 4 118 2 1 . . 8.673 . . 1 . 1 1 2 PHE H . . . . . . . . . . 180 . 27674 4 118 3 1 . . 119.546 . . 1 . 1 1 2 PHE N . . . . . . . . . . 179 . 27674 4 119 1 1 . . 61.925 . . 1 . 1 1 70 VAL CA . . . . . . . . . . 224 . 27674 4 119 2 1 . . 7.884 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 4 119 3 1 . . 110.184 . . 1 . 1 1 71 ASP N . . . . . . . . . . 223 . 27674 4 120 1 1 . . 55.880 . . 1 . 1 1 71 ASP CA . . . . . . . . . . 141 . 27674 4 120 2 1 . . 7.884 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 4 120 3 1 . . 110.183 . . 1 . 1 1 71 ASP N . . . . . . . . . . 223 . 27674 4 stop_ save_ save_peak_list_1_2_3_4_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5 _Spectral_peak_list.Entry_ID 27674 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D HN(CO)CA' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _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 . . C 13 13C . . 4295.91113281 . . . . . . . 27674 5 2 . . H 1 1H . . 4208.75390625 . . . . . . . 27674 5 3 . . N 15 15N . . 1362.31396484 . . . . . . . 27674 5 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27674 5 2 1.0 . . 27674 5 3 1.0 . . 27674 5 4 1.0 . . 27674 5 5 1.0 . . 27674 5 6 1.0 . . 27674 5 7 1.0 . . 27674 5 8 1.0 . . 27674 5 9 1.0 . . 27674 5 10 1.0 . . 27674 5 11 1.0 . . 27674 5 12 1.0 . . 27674 5 13 1.0 . . 27674 5 14 1.0 . . 27674 5 15 1.0 . . 27674 5 16 1.0 . . 27674 5 17 1.0 . . 27674 5 18 1.0 . . 27674 5 19 1.0 . . 27674 5 20 1.0 . . 27674 5 21 1.0 . . 27674 5 22 1.0 . . 27674 5 23 1.0 . . 27674 5 24 1.0 . . 27674 5 25 1.0 . . 27674 5 26 1.0 . . 27674 5 27 1.0 . . 27674 5 28 1.0 . . 27674 5 29 1.0 . . 27674 5 30 1.0 . . 27674 5 31 1.0 . . 27674 5 32 1.0 . . 27674 5 33 1.0 . . 27674 5 34 1.0 . . 27674 5 35 1.0 . . 27674 5 36 1.0 . . 27674 5 37 1.0 . . 27674 5 38 1.0 . . 27674 5 39 1.0 . . 27674 5 40 1.0 . . 27674 5 41 1.0 . . 27674 5 42 1.0 . . 27674 5 43 1.0 . . 27674 5 44 1.0 . . 27674 5 45 1.0 . . 27674 5 46 1.0 . . 27674 5 47 1.0 . . 27674 5 48 1.0 . . 27674 5 49 1.0 . . 27674 5 50 1.0 . . 27674 5 51 1.0 . . 27674 5 52 1.0 . . 27674 5 53 1.0 . . 27674 5 54 1.0 . . 27674 5 55 1.0 . . 27674 5 56 1.0 . . 27674 5 57 1.0 . . 27674 5 58 1.0 . . 27674 5 59 1.0 . . 27674 5 60 1.0 . . 27674 5 61 1.0 . . 27674 5 62 1.0 . . 27674 5 63 1.0 . . 27674 5 64 1.0 . . 27674 5 65 1.0 . . 27674 5 66 1.0 . . 27674 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 267786688.000 . height 27674 5 1 3481118304.000 . volume 27674 5 2 129274672.000 . height 27674 5 2 1691208584.000 . volume 27674 5 3 225668576.000 . height 27674 5 3 3078784920.000 . volume 27674 5 4 26410792.000 . height 27674 5 4 417650195.500 . volume 27674 5 5 141958944.000 . height 27674 5 5 1933889093.000 . volume 27674 5 6 105395672.000 . height 27674 5 6 1381671588.000 . volume 27674 5 7 338438176.000 . height 27674 5 7 4264394412.000 . volume 27674 5 8 275889824.000 . height 27674 5 8 3377461478.000 . volume 27674 5 9 388779648.000 . height 27674 5 9 4452762088.000 . volume 27674 5 10 117281520.000 . height 27674 5 10 1479512530.000 . volume 27674 5 11 158891296.000 . height 27674 5 11 2025885138.000 . volume 27674 5 12 17136206.000 . height 27674 5 12 79912270.625 . volume 27674 5 13 41837888.000 . height 27674 5 13 642564883.000 . volume 27674 5 14 78982960.000 . height 27674 5 14 1063235415.000 . volume 27674 5 15 127770272.000 . height 27674 5 15 1545567658.000 . volume 27674 5 16 81940928.000 . height 27674 5 16 1096158563.000 . volume 27674 5 17 11351139.000 . height 27674 5 17 147686919.812 . volume 27674 5 18 58760036.000 . height 27674 5 18 778132436.000 . volume 27674 5 19 64307252.000 . height 27674 5 19 946382669.500 . volume 27674 5 20 17614512.000 . height 27674 5 20 264164190.500 . volume 27674 5 21 55197976.000 . height 27674 5 21 708605415.000 . volume 27674 5 22 172593392.000 . height 27674 5 22 2363576988.000 . volume 27674 5 23 433845632.000 . height 27674 5 23 5063376064.000 . volume 27674 5 24 44621464.000 . height 27674 5 24 621428369.000 . volume 27674 5 25 39121284.000 . height 27674 5 25 573268488.500 . volume 27674 5 26 705441408.000 . height 27674 5 26 9111139896.000 . volume 27674 5 27 102366936.000 . height 27674 5 27 1405158765.000 . volume 27674 5 28 152926848.000 . height 27674 5 28 1998682194.000 . volume 27674 5 29 152253824.000 . height 27674 5 29 2008095268.000 . volume 27674 5 30 60106316.000 . height 27674 5 30 747548989.000 . volume 27674 5 31 105740384.000 . height 27674 5 31 1550521510.000 . volume 27674 5 32 300221024.000 . height 27674 5 32 3405275176.000 . volume 27674 5 33 197285328.000 . height 27674 5 33 2528974436.000 . volume 27674 5 34 68064352.000 . height 27674 5 34 905221964.000 . volume 27674 5 35 455590080.000 . height 27674 5 35 6088607176.000 . volume 27674 5 36 26014368.000 . height 27674 5 36 316068486.594 . volume 27674 5 37 32138762.000 . height 27674 5 37 539045479.000 . volume 27674 5 38 21081212.000 . height 27674 5 38 308818949.938 . volume 27674 5 39 123647088.000 . height 27674 5 39 1753460830.000 . volume 27674 5 40 443774496.000 . height 27674 5 40 5251243536.000 . volume 27674 5 41 52048136.000 . height 27674 5 41 704465532.000 . volume 27674 5 42 57358508.000 . height 27674 5 42 715979744.500 . volume 27674 5 43 208923824.000 . height 27674 5 43 2654771402.000 . volume 27674 5 44 266138944.000 . height 27674 5 44 3558653076.000 . volume 27674 5 45 187427552.000 . height 27674 5 45 2242618748.000 . volume 27674 5 46 204734576.000 . height 27674 5 46 2494114594.000 . volume 27674 5 47 138470816.000 . height 27674 5 47 1847041606.000 . volume 27674 5 48 153096288.000 . height 27674 5 48 2026806074.000 . volume 27674 5 49 271056384.000 . height 27674 5 49 3381294593.000 . volume 27674 5 50 36027608.000 . height 27674 5 50 521953248.000 . volume 27674 5 51 49486188.000 . height 27674 5 51 732846846.000 . volume 27674 5 52 133079856.000 . height 27674 5 52 1768873142.000 . volume 27674 5 53 61187156.000 . height 27674 5 53 851510405.000 . volume 27674 5 54 363227072.000 . height 27674 5 54 4023124602.000 . volume 27674 5 55 264956944.000 . height 27674 5 55 3270480984.000 . volume 27674 5 56 347838432.000 . height 27674 5 56 4426714104.000 . volume 27674 5 57 109602856.000 . height 27674 5 57 1521631494.000 . volume 27674 5 58 20219018.000 . height 27674 5 58 304354217.500 . volume 27674 5 59 156396304.000 . height 27674 5 59 2059791197.000 . volume 27674 5 60 142294880.000 . height 27674 5 60 1891949774.000 . volume 27674 5 61 22988456.000 . height 27674 5 61 304693312.375 . volume 27674 5 62 196881792.000 . height 27674 5 62 2458956154.000 . volume 27674 5 63 28869140.000 . height 27674 5 63 374055262.250 . volume 27674 5 64 289147040.000 . height 27674 5 64 3798658960.000 . volume 27674 5 65 7325492.000 . height 27674 5 65 120027634.375 . volume 27674 5 66 792321856.000 . height 27674 5 66 10484747504.000 . volume 27674 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 55.950 . 73.8993721245 . . . . . . . . . . . 27674 5 1 2 8.213 . 19.6804438279 . . . . . . . . . . . 27674 5 1 3 109.993 . 24.9007031817 . . . . . . . . . . . 27674 5 2 1 56.464 . 70.8022436672 . . . . . . . . . . . 27674 5 2 2 8.495 . 20.7585201852 . . . . . . . . . . . 27674 5 2 3 109.941 . 26.5328280046 . . . . . . . . . . . 27674 5 3 1 52.929 . 77.0094314227 . . . . . . . . . . . 27674 5 3 2 8.310 . 19.2620072103 . . . . . . . . . . . 27674 5 3 3 107.482 . 25.1688263740 . . . . . . . . . . . 27674 5 4 1 58.138 . 83.6295098927 . . . . . . . . . . . 27674 5 4 2 8.001 . 20.7861149262 . . . . . . . . . . . 27674 5 4 3 118.578 . 31.3998079866 . . . . . . . . . . . 27674 5 5 1 56.563 . 77.9592721082 . . . . . . . . . . . 27674 5 5 2 8.301 . 17.6164826341 . . . . . . . . . . . 27674 5 5 3 115.889 . 24.7963608734 . . . . . . . . . . . 27674 5 6 1 59.316 . 74.6747104708 . . . . . . . . . . . 27674 5 6 2 7.604 . 19.1918914821 . . . . . . . . . . . 27674 5 6 3 117.191 . 24.7197890471 . . . . . . . . . . . 27674 5 7 1 57.013 . 74.6432155512 . . . . . . . . . . . 27674 5 7 2 8.087 . 17.6445790976 . . . . . . . . . . . 27674 5 7 3 115.352 . 23.8550876919 . . . . . . . . . . . 27674 5 8 1 45.491 . 69.0335350716 . . . . . . . . . . . 27674 5 8 2 8.242 . 19.3996046232 . . . . . . . . . . . 27674 5 8 3 108.732 . 23.8710841392 . . . . . . . . . . . 27674 5 9 1 63.386 . 69.7091715129 . . . . . . . . . . . 27674 5 9 2 8.033 . 15.4016283795 . . . . . . . . . . . 27674 5 9 3 120.152 . 23.9513099762 . . . . . . . . . . . 27674 5 10 1 59.549 . 75.3577405365 . . . . . . . . . . . 27674 5 10 2 8.106 . 17.8406271891 . . . . . . . . . . . 27674 5 10 3 119.095 . 24.5014010017 . . . . . . . . . . . 27674 5 11 1 55.686 . 72.8990883563 . . . . . . . . . . . 27674 5 11 2 8.371 . 18.8719179175 . . . . . . . . . . . 27674 5 11 3 109.461 . 24.1897138807 . . . . . . . . . . . 27674 5 12 1 55.212 . 72.6915547599 . . . . . . . . . . . 27674 5 12 2 8.119 . 13.9170313154 . . . . . . . . . . . 27674 5 12 3 122.359 . 14.6488886875 . . . . . . . . . . . 27674 5 13 1 57.725 . 84.5419663647 . . . . . . . . . . . 27674 5 13 2 8.092 . 18.0923664852 . . . . . . . . . . . 27674 5 13 3 122.407 . 29.0680618963 . . . . . . . . . . . 27674 5 14 1 58.178 . 72.4032354145 . . . . . . . . . . . 27674 5 14 2 8.116 . 20.9561988751 . . . . . . . . . . . 27674 5 14 3 116.956 . 25.8090902660 . . . . . . . . . . . 27674 5 15 1 55.735 . 63.6898970430 . . . . . . . . . . . 27674 5 15 2 8.426 . 19.0248178686 . . . . . . . . . . . 27674 5 15 3 122.088 . 24.9093510072 . . . . . . . . . . . 27674 5 16 1 58.575 . 70.9635591092 . . . . . . . . . . . 27674 5 16 2 8.436 . 21.6287579709 . . . . . . . . . . . 27674 5 16 3 122.007 . 25.2534370240 . . . . . . . . . . . 27674 5 17 1 59.154 . 67.7448039298 . . . . . . . . . . . 27674 5 17 2 7.369 . 14.8206336515 . . . . . . . . . . . 27674 5 17 3 117.556 . 29.7999602590 . . . . . . . . . . . 27674 5 18 1 58.781 . 72.5319036836 . . . . . . . . . . . 27674 5 18 2 8.310 . 19.5695631414 . . . . . . . . . . . 27674 5 18 3 110.130 . 26.8429317210 . . . . . . . . . . . 27674 5 19 1 61.937 . 80.0342239873 . . . . . . . . . . . 27674 5 19 2 8.290 . 21.4206685378 . . . . . . . . . . . 27674 5 19 3 117.693 . 25.3844942113 . . . . . . . . . . . 27674 5 20 1 64.852 . 77.1444850948 . . . . . . . . . . . 27674 5 20 2 8.626 . 25.6471794090 . . . . . . . . . . . 27674 5 20 3 118.422 . 28.7971778958 . . . . . . . . . . . 27674 5 21 1 58.185 . 72.6674854718 . . . . . . . . . . . 27674 5 21 2 7.836 . 17.5604151377 . . . . . . . . . . . 27674 5 21 3 121.030 . 25.1901414370 . . . . . . . . . . . 27674 5 22 1 56.061 . 73.2835568262 . . . . . . . . . . . 27674 5 22 2 8.255 . 18.6914232254 . . . . . . . . . . . 27674 5 22 3 120.822 . 26.8350146976 . . . . . . . . . . . 27674 5 23 1 45.475 . 66.4463426503 . . . . . . . . . . . 27674 5 23 2 8.222 . 17.9467415112 . . . . . . . . . . . 27674 5 23 3 120.767 . 23.7852148854 . . . . . . . . . . . 27674 5 24 1 58.563 . 76.9257010266 . . . . . . . . . . . 27674 5 24 2 8.356 . 24.1397539683 . . . . . . . . . . . 27674 5 24 3 117.509 . 26.3653931099 . . . . . . . . . . . 27674 5 25 1 60.734 . 82.5502967832 . . . . . . . . . . . 27674 5 25 2 8.031 . 19.1758363601 . . . . . . . . . . . 27674 5 25 3 114.557 . 27.7852605056 . . . . . . . . . . . 27674 5 26 1 62.443 . 72.9570850985 . . . . . . . . . . . 27674 5 26 2 8.184 . 18.6994507865 . . . . . . . . . . . 27674 5 26 3 124.303 . 24.0189903762 . . . . . . . . . . . 27674 5 27 1 63.470 . 75.3396245563 . . . . . . . . . . . 27674 5 27 2 8.515 . 20.8302665118 . . . . . . . . . . . 27674 5 27 3 118.216 . 24.5574697674 . . . . . . . . . . . 27674 5 28 1 56.591 . 78.8069463472 . . . . . . . . . . . 27674 5 28 2 8.178 . 18.2184242791 . . . . . . . . . . . 27674 5 28 3 115.640 . 23.7205388943 . . . . . . . . . . . 27674 5 29 1 58.510 . 77.0277394451 . . . . . . . . . . . 27674 5 29 2 8.278 . 18.2663387839 . . . . . . . . . . . 27674 5 29 3 125.831 . 23.8406492742 . . . . . . . . . . . 27674 5 30 1 57.067 . 70.3535050767 . . . . . . . . . . . 27674 5 30 2 7.638 . 18.3956577745 . . . . . . . . . . . 27674 5 30 3 123.281 . 25.0547806370 . . . . . . . . . . . 27674 5 31 1 56.408 . 79.0268986720 . . . . . . . . . . . 27674 5 31 2 8.246 . 18.4638920431 . . . . . . . . . . . 27674 5 31 3 116.909 . 27.8886284110 . . . . . . . . . . . 27674 5 32 1 45.611 . 62.1778848451 . . . . . . . . . . . 27674 5 32 2 7.976 . 18.6855279853 . . . . . . . . . . . 27674 5 32 3 112.823 . 23.5846096926 . . . . . . . . . . . 27674 5 33 1 58.132 . 74.5076337631 . . . . . . . . . . . 27674 5 33 2 8.321 . 19.2247543100 . . . . . . . . . . . 27674 5 33 3 122.235 . 24.7291676748 . . . . . . . . . . . 27674 5 34 1 56.263 . 78.2233941374 . . . . . . . . . . . 27674 5 34 2 7.880 . 18.9623534095 . . . . . . . . . . . 27674 5 34 3 115.805 . 25.0494620213 . . . . . . . . . . . 27674 5 35 1 55.216 . 75.8806074134 . . . . . . . . . . . 27674 5 35 2 8.112 . 17.4224414328 . . . . . . . . . . . 27674 5 35 3 122.942 . 24.5755368208 . . . . . . . . . . . 27674 5 36 1 59.554 . 78.7538146739 . . . . . . . . . . . 27674 5 36 2 8.039 . 17.9522604594 . . . . . . . . . . . 27674 5 36 3 119.645 . 37.5851956644 . . . . . . . . . . . 27674 5 37 1 58.300 . 79.8265623628 . . . . . . . . . . . 27674 5 37 2 8.232 . 24.8225983767 . . . . . . . . . . . 27674 5 37 3 117.625 . 36.0224970466 . . . . . . . . . . . 27674 5 38 1 56.280 . 64.7789043043 . . . . . . . . . . . 27674 5 38 2 8.202 . 19.5837368038 . . . . . . . . . . . 27674 5 38 3 117.020 . 78.6217669277 . . . . . . . . . . . 27674 5 39 1 53.461 . 73.3053216081 . . . . . . . . . . . 27674 5 39 2 8.243 . 17.8437629552 . . . . . . . . . . . 27674 5 39 3 120.508 . 28.2592669063 . . . . . . . . . . . 27674 5 40 1 62.035 . 72.1837311881 . . . . . . . . . . . 27674 5 40 2 8.145 . 16.9461812899 . . . . . . . . . . . 27674 5 40 3 125.409 . 23.4161369573 . . . . . . . . . . . 27674 5 41 1 61.048 . 77.9443568313 . . . . . . . . . . . 27674 5 41 2 7.962 . 18.9938365003 . . . . . . . . . . . 27674 5 41 3 119.874 . 25.7639429326 . . . . . . . . . . . 27674 5 42 1 64.896 . 78.0326002189 . . . . . . . . . . . 27674 5 42 2 8.062 . 19.5388326345 . . . . . . . . . . . 27674 5 42 3 117.208 . 23.1531116175 . . . . . . . . . . . 27674 5 43 1 58.076 . 73.3734325725 . . . . . . . . . . . 27674 5 43 2 8.060 . 17.7429167200 . . . . . . . . . . . 27674 5 43 3 117.111 . 24.2612918922 . . . . . . . . . . . 27674 5 44 1 56.208 . 75.5502948418 . . . . . . . . . . . 27674 5 44 2 8.397 . 16.2708627200 . . . . . . . . . . . 27674 5 44 3 121.591 . 24.8929688588 . . . . . . . . . . . 27674 5 45 1 45.454 . 64.5625367671 . . . . . . . . . . . 27674 5 45 2 8.190 . 46.1210974704 . . . . . . . . . . . 27674 5 45 3 120.753 . 24.3014454109 . . . . . . . . . . . 27674 5 46 1 58.601 . 72.4963118639 . . . . . . . . . . . 27674 5 46 2 8.228 . 17.2814573926 . . . . . . . . . . . 27674 5 46 3 125.576 . 23.9725438390 . . . . . . . . . . . 27674 5 47 1 59.142 . 76.0807153783 . . . . . . . . . . . 27674 5 47 2 8.253 . 18.8860915799 . . . . . . . . . . . 27674 5 47 3 122.299 . 24.8803828216 . . . . . . . . . . . 27674 5 48 1 58.529 . 75.4354536106 . . . . . . . . . . . 27674 5 48 2 8.042 . 19.3258514064 . . . . . . . . . . . 27674 5 48 3 121.833 . 24.6377768047 . . . . . . . . . . . 27674 5 49 1 63.446 . 76.1999095660 . . . . . . . . . . . 27674 5 49 2 8.203 . 16.5575971648 . . . . . . . . . . . 27674 5 49 3 108.930 . 23.8301592182 . . . . . . . . . . . 27674 5 50 1 58.605 . 82.1729338744 . . . . . . . . . . . 27674 5 50 2 8.143 . 20.4998822040 . . . . . . . . . . . 27674 5 50 3 119.026 . 27.6595219340 . . . . . . . . . . . 27674 5 51 1 57.708 . 83.2757681735 . . . . . . . . . . . 27674 5 51 2 7.794 . 21.4559145479 . . . . . . . . . . . 27674 5 51 3 117.827 . 26.5570256761 . . . . . . . . . . . 27674 5 52 1 58.789 . 72.1288711350 . . . . . . . . . . . 27674 5 52 2 8.340 . 19.4845211670 . . . . . . . . . . . 27674 5 52 3 110.574 . 27.2350476797 . . . . . . . . . . . 27674 5 53 1 54.146 . 84.0909232679 . . . . . . . . . . . 27674 5 53 2 8.020 . 20.3573929961 . . . . . . . . . . . 27674 5 53 3 112.942 . 25.9515966871 . . . . . . . . . . . 27674 5 54 1 45.421 . 59.9089703513 . . . . . . . . . . . 27674 5 54 2 8.394 . 16.7679443493 . . . . . . . . . . . 27674 5 54 3 120.696 . 24.3791540405 . . . . . . . . . . . 27674 5 55 1 57.023 . 71.3487957479 . . . . . . . . . . . 27674 5 55 2 8.390 . 16.9825561757 . . . . . . . . . . . 27674 5 55 3 120.702 . 23.9753452473 . . . . . . . . . . . 27674 5 56 1 58.236 . 73.2132693837 . . . . . . . . . . . 27674 5 56 2 8.065 . 17.9398428260 . . . . . . . . . . . 27674 5 56 3 123.699 . 24.0836663673 . . . . . . . . . . . 27674 5 57 1 59.732 . 77.1368194106 . . . . . . . . . . . 27674 5 57 2 8.496 . 19.3185764293 . . . . . . . . . . . 27674 5 57 3 109.676 . 27.9323141401 . . . . . . . . . . . 27674 5 58 1 57.956 . 76.4181975251 . . . . . . . . . . . 27674 5 58 2 8.163 . 16.8647768040 . . . . . . . . . . . 27674 5 58 3 117.178 . 34.5865114033 . . . . . . . . . . . 27674 5 59 1 52.784 . 77.4396059345 . . . . . . . . . . . 27674 5 59 2 8.126 . 19.5398360796 . . . . . . . . . . . 27674 5 59 3 114.418 . 23.7235433032 . . . . . . . . . . . 27674 5 60 1 56.527 . 72.3539445850 . . . . . . . . . . . 27674 5 60 2 8.211 . 17.9542673497 . . . . . . . . . . . 27674 5 60 3 116.490 . 26.0657642244 . . . . . . . . . . . 27674 5 61 1 63.062 . 73.2219112824 . . . . . . . . . . . 27674 5 61 2 8.395 . 16.7156397721 . . . . . . . . . . . 27674 5 61 3 109.977 . 29.3449547145 . . . . . . . . . . . 27674 5 62 1 46.063 . 71.3124357594 . . . . . . . . . . . 27674 5 62 2 8.210 . 17.0509158749 . . . . . . . . . . . 27674 5 62 3 119.547 . 25.1566869381 . . . . . . . . . . . 27674 5 63 1 63.031 . 72.2116413201 . . . . . . . . . . . 27674 5 63 2 8.317 . 16.0100924178 . . . . . . . . . . . 27674 5 63 3 121.945 . 29.5045334860 . . . . . . . . . . . 27674 5 64 1 56.876 . 72.6568591371 . . . . . . . . . . . 27674 5 64 2 8.350 . 21.3471661824 . . . . . . . . . . . 27674 5 64 3 122.033 . 24.7541164485 . . . . . . . . . . . 27674 5 65 1 51.909 . 84.7925174122 . . . . . . . . . . . 27674 5 65 2 8.690 . 32.9586568899 . . . . . . . . . . . 27674 5 65 3 119.533 . 34.0461644066 . . . . . . . . . . . 27674 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 . . 55.950 . . 1 . 1 1 43 GLN CA . . . . . . . . . . 278 . 27674 5 1 2 1 . . 8.213 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 5 1 3 1 . . 109.993 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 5 2 1 1 . . 56.464 . . 1 . 1 1 51 LYS CA . . . . . . . . . . 292 . 27674 5 2 2 1 . . 8.495 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 5 2 3 1 . . 109.941 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 5 3 1 1 . . 52.929 . . 1 . 1 1 23 ALA CA . . . . . . . . . . 134 . 27674 5 3 2 1 . . 8.310 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 5 3 3 1 . . 107.482 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 5 4 1 1 . . 58.138 . . 1 . 1 1 6 ARG CA . . . . . . . . . . 202 . 27674 5 4 2 1 . . 8.001 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 5 4 3 1 . . 118.578 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 5 5 1 1 . . 56.563 . . 1 . 1 1 19 GLN CA . . . . . . . . . . 160 . 27674 5 5 2 1 . . 8.301 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 5 5 3 1 . . 115.889 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 5 6 1 1 . . 59.316 . . 1 . 1 1 2 PHE CA . . . . . . . . . . 253 . 27674 5 6 2 1 . . 7.604 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 5 6 3 1 . . 117.191 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 5 7 1 1 . . 57.013 . . 1 . 1 1 66 GLU CA . . . . . . . . . . 236 . 27674 5 7 2 1 . . 8.087 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 5 7 3 1 . . 115.352 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 5 8 1 2 . . 45.491 . . 1 . 1 1 52 GLY CA . . . . . . . . . . 284 . 27674 5 8 2 1 . . 8.242 . . 1 . 1 1 53 GLY H . . . . . . . . . . 16 . 27674 5 8 3 1 . . 108.732 . . 1 . 1 1 53 GLY N . . . . . . . . . . 15 . 27674 5 9 1 1 . . 63.386 . . 1 . 1 1 62 PRO CA . . . . . . . . . . 271 . 27674 5 9 2 2 . . 8.033 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 5 9 3 2 . . 120.152 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 5 10 1 1 . . 59.549 . . 1 . 1 1 16 CYS CA . . . . . . . . . . 188 . 27674 5 10 2 1 . . 8.106 . . 1 . 1 1 17 CYS H . . . . . . . . . . 20 . 27674 5 10 3 1 . . 119.095 . . 1 . 1 1 17 CYS N . . . . . . . . . . 19 . 27674 5 11 1 1 . . 55.686 . . 1 . 1 1 49 MET CA . . . . . . . . . . 290 . 27674 5 11 2 2 . . 8.371 . . 1 . 1 1 50 GLY H . . . . . . . . . . 285 . 27674 5 11 3 2 . . 109.461 . . 1 . 1 1 50 GLY N . . . . . . . . . . 286 . 27674 5 12 2 2 . . 8.119 . . 1 . . . . . . . . . . . . . . . . 177 . 27674 5 12 3 2 . . 122.359 . . 1 . . . . . . . . . . . . . . . . 178 . 27674 5 13 1 1 . . 57.725 . . 1 . 1 1 9 GLN CA . . . . . . . . . . 195 . 27674 5 13 2 1 . . 8.092 . . 1 . 1 1 10 ALA H . . . . . . . . . . 24 . 27674 5 13 3 1 . . 122.407 . . 1 . 1 1 10 ALA N . . . . . . . . . . 23 . 27674 5 14 2 1 . . 8.116 . . 1 . 1 1 64 SER H . . . . . . . . . . 26 . 27674 5 14 3 1 . . 116.956 . . 1 . 1 1 64 SER N . . . . . . . . . . 25 . 27674 5 15 2 1 . . 8.426 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 5 15 3 1 . . 122.088 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 5 16 2 1 . . 8.436 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 5 16 3 1 . . 122.007 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 5 17 2 1 . . 7.369 . . 1 . . . . . . . . . . . . . . . . 30 . 27674 5 17 3 1 . . 117.556 . . 1 . . . . . . . . . . . . . . . . 29 . 27674 5 18 2 1 . . 8.310 . . 1 . . . . . . . . . . . . . . . . 32 . 27674 5 18 3 1 . . 110.130 . . 1 . . . . . . . . . . . . . . . . 31 . 27674 5 19 1 1 . . 61.937 . . 1 . 1 1 25 THR CA . . . . . . . . . . 239 . 27674 5 19 2 1 . . 8.290 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 5 19 3 1 . . 117.693 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 5 20 1 1 . . 64.852 . . 1 . 1 1 5 PRO CA . . . . . . . . . . 221 . 27674 5 20 2 1 . . 8.626 . . 1 . 1 1 6 ARG H . . . . . . . . . . 38 . 27674 5 20 3 1 . . 118.422 . . 1 . 1 1 6 ARG N . . . . . . . . . . 37 . 27674 5 21 2 1 . . 7.836 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 5 21 3 1 . . 121.030 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 5 22 2 1 . . 8.255 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 5 22 3 1 . . 120.822 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 5 23 1 1 . . 45.475 . . 1 . 1 1 53 GLY CA . . . . . . . . . . 140 . 27674 5 23 2 2 . . 8.222 . . 1 . . . . . . . . . . . . . . . . 116 . 27674 5 23 3 2 . . 120.767 . . 1 . . . . . . . . . . . . . . . . 115 . 27674 5 24 2 1 . . 8.356 . . 1 . . . . . . . . . . . . . . . . 44 . 27674 5 24 3 1 . . 117.509 . . 1 . . . . . . . . . . . . . . . . 43 . 27674 5 25 1 1 . . 60.734 . . 1 . 1 1 11 SER CA . . . . . . . . . . 192 . 27674 5 25 2 1 . . 8.031 . . 1 . 1 1 12 THR H . . . . . . . . . . 46 . 27674 5 25 3 1 . . 114.557 . . 1 . 1 1 12 THR N . . . . . . . . . . 45 . 27674 5 26 1 1 . . 62.443 . . 1 . 1 1 69 VAL CA . . . . . . . . . . 228 . 27674 5 26 2 1 . . 8.184 . . 1 . 1 1 70 VAL H . . . . . . . . . . 48 . 27674 5 26 3 1 . . 124.303 . . 1 . 1 1 70 VAL N . . . . . . . . . . 47 . 27674 5 27 2 1 . . 8.515 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 5 27 3 1 . . 118.216 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 5 28 1 1 . . 56.591 . . 1 . 1 1 21 ARG CA . . . . . . . . . . 137 . 27674 5 28 2 1 . . 8.178 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 5 28 3 1 . . 115.640 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 5 29 1 1 . . 58.510 . . 1 . 1 1 34 SER CA . . . . . . . . . . 142 . 27674 5 29 2 1 . . 8.278 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 5 29 3 1 . . 125.831 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 5 30 1 1 . . 57.067 . . 1 . 1 1 3 PHE CA . . . . . . . . . . 249 . 27674 5 30 2 1 . . 7.638 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 5 30 3 1 . . 123.281 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 5 31 2 1 . . 8.246 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 5 31 3 1 . . 116.909 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 5 32 1 1 . . 45.611 . . 1 . 1 1 24 GLY CA . . . . . . . . . . 205 . 27674 5 32 2 1 . . 7.976 . . 1 . 1 1 25 THR H . . . . . . . . . . 64 . 27674 5 32 3 1 . . 112.823 . . 1 . 1 1 25 THR N . . . . . . . . . . 63 . 27674 5 33 1 1 . . 58.132 . . 1 . 1 1 64 SER CA . . . . . . . . . . 311 . 27674 5 33 2 2 . . 8.321 . . 1 . 1 1 65 GLN H . . . . . . . . . . 128 . 27674 5 33 3 2 . . 122.235 . . 1 . 1 1 65 GLN N . . . . . . . . . . 127 . 27674 5 34 1 1 . . 56.263 . . 1 . 1 1 15 LEU CA . . . . . . . . . . 147 . 27674 5 34 2 1 . . 7.880 . . 1 . 1 1 16 CYS H . . . . . . . . . . 68 . 27674 5 34 3 1 . . 115.805 . . 1 . 1 1 16 CYS N . . . . . . . . . . 67 . 27674 5 35 1 1 . . 55.216 . . 1 . 1 1 68 LEU CA . . . . . . . . . . 231 . 27674 5 35 2 1 . . 8.112 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 5 35 3 1 . . 122.942 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 5 36 1 1 . . 59.554 . . 1 . 1 1 7 PHE CA . . . . . . . . . . 199 . 27674 5 36 2 1 . . 8.039 . . 1 . 1 1 8 ARG H . . . . . . . . . . 72 . 27674 5 36 3 1 . . 119.645 . . 1 . 1 1 8 ARG N . . . . . . . . . . 71 . 27674 5 37 2 1 . . 8.232 . . 1 . . . . . . . . . . . . . . . . 74 . 27674 5 37 3 1 . . 117.625 . . 1 . . . . . . . . . . . . . . . . 73 . 27674 5 38 2 1 . . 8.202 . . 1 . . . . . . . . . . . . . . . . 76 . 27674 5 38 3 1 . . 117.020 . . 1 . . . . . . . . . . . . . . . . 75 . 27674 5 39 2 1 . . 8.243 . . 1 . . . . . . . . . . . . . . . . 82 . 27674 5 39 3 1 . . 120.508 . . 1 . . . . . . . . . . . . . . . . 81 . 27674 5 40 1 1 . . 62.035 . . 1 . 1 1 67 THR CA . . . . . . . . . . 234 . 27674 5 40 2 1 . . 8.145 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 5 40 3 1 . . 125.409 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 5 41 1 1 . . 61.048 . . 1 . 1 1 13 SER CA . . . . . . . . . . 207 . 27674 5 41 2 1 . . 7.962 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 5 41 3 1 . . 119.874 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 5 42 1 3 . . 64.896 . . 1 . 1 1 12 THR CA . . . . . . . . . . 212 . 27674 5 42 2 1 . . 8.062 . . 1 . 1 1 13 SER H . . . . . . . . . . 90 . 27674 5 42 3 1 . . 117.208 . . 1 . 1 1 13 SER N . . . . . . . . . . 89 . 27674 5 43 2 3 . . 8.060 . . 1 . . . . . . . . . . . . . . . . 169 . 27674 5 43 3 3 . . 117.111 . . 1 . . . . . . . . . . . . . . . . 168 . 27674 5 44 1 1 . . 56.208 . . 1 . 1 1 65 GLN CA . . . . . . . . . . 308 . 27674 5 44 2 1 . . 8.397 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 5 44 3 1 . . 121.591 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 5 45 1 1 . . 45.454 . . 1 . 1 1 50 GLY CA . . . . . . . . . . 312 . 27674 5 45 2 1 . . 8.190 . . 1 . 1 1 51 LYS H . . . . . . . . . . 94 . 27674 5 45 3 1 . . 120.753 . . 1 . 1 1 51 LYS N . . . . . . . . . . 93 . 27674 5 46 1 1 . . 58.601 . . 1 . 1 1 22 SER CA . . . . . . . . . . 135 . 27674 5 46 2 1 . . 8.228 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 5 46 3 1 . . 125.576 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 5 47 1 1 . . 59.142 . . 1 . 1 1 20 SER CA . . . . . . . . . . 157 . 27674 5 47 2 1 . . 8.253 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 5 47 3 1 . . 122.299 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 5 48 1 1 . . 58.529 . . 1 . 1 1 36 SER CA . . . . . . . . . . 261 . 27674 5 48 2 1 . . 8.042 . . 1 . 1 1 37 TYR H . . . . . . . . . . 100 . 27674 5 48 3 1 . . 121.833 . . 1 . 1 1 37 TYR N . . . . . . . . . . 99 . 27674 5 49 1 1 . . 63.446 . . 1 . 1 1 45 PRO CA . . . . . . . . . . 267 . 27674 5 49 2 1 . . 8.203 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 5 49 3 1 . . 108.930 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 5 50 1 1 . . 58.605 . . 1 . 1 1 8 ARG CA . . . . . . . . . . 198 . 27674 5 50 2 1 . . 8.143 . . 1 . 1 1 9 GLN H . . . . . . . . . . 104 . 27674 5 50 3 1 . . 119.026 . . 1 . 1 1 9 GLN N . . . . . . . . . . 103 . 27674 5 51 1 1 . . 57.708 . . 1 . 1 1 14 MET CA . . . . . . . . . . 148 . 27674 5 51 2 1 . . 7.794 . . 1 . 1 1 15 LEU H . . . . . . . . . . 106 . 27674 5 51 3 1 . . 117.827 . . 1 . 1 1 15 LEU N . . . . . . . . . . 105 . 27674 5 52 2 1 . . 8.340 . . 1 . . . . . . . . . . . . . . . . 108 . 27674 5 52 3 1 . . 110.574 . . 1 . . . . . . . . . . . . . . . . 107 . 27674 5 53 1 1 . . 54.146 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 194 . 27674 5 53 2 1 . . 8.020 . . 1 . 1 1 11 SER H . . . . . . . . . . 112 . 27674 5 53 3 1 . . 112.942 . . 1 . 1 1 11 SER N . . . . . . . . . . 111 . 27674 5 54 2 1 . . 8.394 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 5 54 3 1 . . 120.696 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 5 55 2 1 . . 8.390 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 5 55 3 1 . . 120.702 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 5 56 1 1 . . 58.236 . . 1 . . . . . . . . . . . . . . . . 296 . 27674 5 56 2 1 . . 8.065 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 5 56 3 1 . . 123.699 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 5 57 1 1 . . 59.732 . . 1 . 1 1 17 CYS CA . . . . . . . . . . 183 . 27674 5 57 2 1 . . 8.496 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 5 57 3 1 . . 109.676 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 5 58 2 1 . . 8.163 . . 1 . . . . . . . . . . . . . . . . 122 . 27674 5 58 3 1 . . 117.178 . . 1 . . . . . . . . . . . . . . . . 121 . 27674 5 59 2 1 . . 8.126 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 5 59 3 1 . . 114.418 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 5 60 1 1 . . 56.527 . . 1 . . . . . . . . . . . . . . . . 151 . 27674 5 60 2 1 . . 8.211 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 5 60 3 1 . . 116.490 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 5 61 2 1 . . 8.395 . . 1 . . . . . . . . . . . . . . . . 130 . 27674 5 61 3 1 . . 109.977 . . 1 . . . . . . . . . . . . . . . . 129 . 27674 5 62 1 1 . . 46.063 . . 1 . 1 1 18 GLY CA . . . . . . . . . . 164 . 27674 5 62 2 1 . . 8.210 . . 1 . 1 1 19 GLN H . . . . . . . . . . 132 . 27674 5 62 3 1 . . 119.547 . . 1 . 1 1 19 GLN N . . . . . . . . . . 131 . 27674 5 63 2 1 . . 8.317 . . 1 . . . . . . . . . . . . . . . . 54 . 27674 5 63 3 1 . . 121.945 . . 1 . . . . . . . . . . . . . . . . 53 . 27674 5 64 2 1 . . 8.350 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 5 64 3 1 . . 122.033 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 5 65 1 1 . . 51.909 . . 1 . 1 1 1 ALA CA . . . . . . . . . . 256 . 27674 5 65 2 1 . . 8.690 . . 1 . 1 1 2 PHE H . . . . . . . . . . 180 . 27674 5 65 3 1 . . 119.533 . . 1 . 1 1 2 PHE N . . . . . . . . . . 179 . 27674 5 stop_ save_ save_peak_list_1_2_3_4_5_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6 _Spectral_peak_list.Entry_ID 27674 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 6 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _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 . . C 13 13C . . 9683.30859375 . . . . . . . 27674 6 2 . . H 1 1H . . 4208.75390625 . . . . . . . 27674 6 3 . . N 15 15N . . 1362.31396484 . . . . . . . 27674 6 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27674 6 2 1.0 . . 27674 6 3 1.0 . . 27674 6 4 1.0 . . 27674 6 5 1.0 . . 27674 6 6 1.0 . . 27674 6 7 1.0 . . 27674 6 8 1.0 . . 27674 6 9 1.0 . . 27674 6 10 1.0 . . 27674 6 11 1.0 . . 27674 6 12 1.0 . . 27674 6 13 1.0 . . 27674 6 14 1.0 . . 27674 6 15 1.0 . . 27674 6 16 1.0 . . 27674 6 17 1.0 . . 27674 6 18 1.0 . . 27674 6 19 1.0 . . 27674 6 20 1.0 . . 27674 6 21 1.0 . . 27674 6 22 1.0 . . 27674 6 23 1.0 . . 27674 6 24 1.0 . . 27674 6 25 1.0 . . 27674 6 26 1.0 . . 27674 6 27 1.0 . . 27674 6 28 1.0 . . 27674 6 29 1.0 . . 27674 6 30 1.0 . . 27674 6 31 1.0 . . 27674 6 32 1.0 . . 27674 6 33 1.0 . . 27674 6 34 1.0 . . 27674 6 35 1.0 . . 27674 6 36 1.0 . . 27674 6 37 1.0 . . 27674 6 38 1.0 . . 27674 6 39 1.0 . . 27674 6 40 1.0 . . 27674 6 41 1.0 . . 27674 6 42 1.0 . . 27674 6 43 1.0 . . 27674 6 44 1.0 . . 27674 6 45 1.0 . . 27674 6 46 1.0 . . 27674 6 47 1.0 . . 27674 6 48 1.0 . . 27674 6 49 1.0 . . 27674 6 50 1.0 . . 27674 6 51 1.0 . . 27674 6 52 1.0 . . 27674 6 53 1.0 . . 27674 6 54 1.0 . . 27674 6 55 1.0 . . 27674 6 56 1.0 . . 27674 6 57 1.0 . . 27674 6 58 1.0 . . 27674 6 59 1.0 . . 27674 6 60 1.0 . . 27674 6 61 1.0 . . 27674 6 62 1.0 . . 27674 6 63 1.0 . . 27674 6 64 1.0 . . 27674 6 65 1.0 . . 27674 6 66 1.0 . . 27674 6 67 1.0 . . 27674 6 68 1.0 . . 27674 6 69 1.0 . . 27674 6 70 1.0 . . 27674 6 71 1.0 . . 27674 6 72 1.0 . . 27674 6 73 1.0 . . 27674 6 74 1.0 . . 27674 6 75 1.0 . . 27674 6 76 1.0 . . 27674 6 77 1.0 . . 27674 6 78 1.0 . . 27674 6 79 1.0 . . 27674 6 80 1.0 . . 27674 6 81 1.0 . . 27674 6 82 1.0 . . 27674 6 83 1.0 . . 27674 6 84 1.0 . . 27674 6 85 1.0 . . 27674 6 86 1.0 . . 27674 6 87 1.0 . . 27674 6 88 1.0 . . 27674 6 89 1.0 . . 27674 6 90 1.0 . . 27674 6 91 1.0 . . 27674 6 92 1.0 . . 27674 6 93 1.0 . . 27674 6 94 1.0 . . 27674 6 95 1.0 . . 27674 6 96 1.0 . . 27674 6 97 1.0 . . 27674 6 98 1.0 . . 27674 6 99 1.0 . . 27674 6 100 1.0 . . 27674 6 101 1.0 . . 27674 6 102 1.0 . . 27674 6 103 1.0 . . 27674 6 104 1.0 . . 27674 6 105 1.0 . . 27674 6 106 1.0 . . 27674 6 107 1.0 . . 27674 6 108 1.0 . . 27674 6 109 1.0 . . 27674 6 110 1.0 . . 27674 6 111 1.0 . . 27674 6 112 1.0 . . 27674 6 113 1.0 . . 27674 6 114 1.0 . . 27674 6 115 1.0 . . 27674 6 116 1.0 . . 27674 6 117 1.0 . . 27674 6 118 1.0 . . 27674 6 119 1.0 . . 27674 6 120 1.0 . . 27674 6 121 1.0 . . 27674 6 122 1.0 . . 27674 6 123 1.0 . . 27674 6 124 1.0 . . 27674 6 125 1.0 . . 27674 6 126 1.0 . . 27674 6 127 1.0 . . 27674 6 128 1.0 . . 27674 6 129 1.0 . . 27674 6 130 1.0 . . 27674 6 131 1.0 . . 27674 6 132 1.0 . . 27674 6 133 1.0 . . 27674 6 134 1.0 . . 27674 6 135 1.0 . . 27674 6 136 1.0 . . 27674 6 137 1.0 . . 27674 6 138 1.0 . . 27674 6 139 1.0 . . 27674 6 140 1.0 . . 27674 6 141 1.0 . . 27674 6 142 1.0 . . 27674 6 143 1.0 . . 27674 6 144 1.0 . . 27674 6 145 1.0 . . 27674 6 146 1.0 . . 27674 6 147 1.0 . . 27674 6 148 1.0 . . 27674 6 149 1.0 . . 27674 6 150 1.0 . . 27674 6 151 1.0 . . 27674 6 152 1.0 . . 27674 6 153 1.0 . . 27674 6 154 1.0 . . 27674 6 155 1.0 . . 27674 6 156 1.0 . . 27674 6 157 1.0 . . 27674 6 158 1.0 . . 27674 6 159 1.0 . . 27674 6 160 1.0 . . 27674 6 161 1.0 . . 27674 6 162 1.0 . . 27674 6 163 1.0 . . 27674 6 164 1.0 . . 27674 6 165 1.0 . . 27674 6 166 1.0 . . 27674 6 167 1.0 . . 27674 6 168 1.0 . . 27674 6 169 1.0 . . 27674 6 170 1.0 . . 27674 6 171 1.0 . . 27674 6 172 1.0 . . 27674 6 173 1.0 . . 27674 6 174 1.0 . . 27674 6 175 1.0 . . 27674 6 176 1.0 . . 27674 6 177 1.0 . . 27674 6 178 1.0 . . 27674 6 179 1.0 . . 27674 6 180 1.0 . . 27674 6 181 1.0 . . 27674 6 182 1.0 . . 27674 6 183 1.0 . . 27674 6 184 1.0 . . 27674 6 185 1.0 . . 27674 6 186 1.0 . . 27674 6 187 1.0 . . 27674 6 188 1.0 . . 27674 6 189 1.0 . . 27674 6 190 1.0 . . 27674 6 191 1.0 . . 27674 6 192 1.0 . . 27674 6 193 1.0 . . 27674 6 194 1.0 . . 27674 6 195 1.0 . . 27674 6 196 1.0 . . 27674 6 197 1.0 . . 27674 6 198 1.0 . . 27674 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 -113529808.0000 . height 27674 6 1 -1167676147.0000 . volume 27674 6 2 781439488.0000 . height 27674 6 2 9728367833.8200 . volume 27674 6 3 87434544.0000 . height 27674 6 3 980786332.5000 . volume 27674 6 4 -59274616.0000 . height 27674 6 4 -715754356.7500 . volume 27674 6 5 510552512.0000 . height 27674 6 5 6290035993.0000 . volume 27674 6 6 51304612.0000 . height 27674 6 6 556335581.1250 . volume 27674 6 7 -138113664.0000 . height 27674 6 7 -1335790483.0000 . volume 27674 6 8 578457792.0000 . height 27674 6 8 5921142616.0000 . volume 27674 6 9 135848640.0000 . height 27674 6 9 1343500681.5000 . volume 27674 6 10 119878064.0000 . height 27674 6 10 1358940635.0000 . volume 27674 6 11 -85355392.0000 . height 27674 6 11 -1074250557.0000 . volume 27674 6 12 -37170260.0000 . height 27674 6 12 -558625151.0000 . volume 27674 6 13 34477520.0000 . height 27674 6 13 413001181.1390 . volume 27674 6 14 -28859608.0000 . height 27674 6 14 -353773007.1250 . volume 27674 6 15 -55682504.0000 . height 27674 6 15 -669913495.0000 . volume 27674 6 16 98646728.0000 . height 27674 6 16 1176248930.7500 . volume 27674 6 17 230522800.0000 . height 27674 6 17 2374016436.0000 . volume 27674 6 18 -449333376.0000 . height 27674 6 18 -4703730672.0000 . volume 27674 6 19 -170870400.0000 . height 27674 6 19 -1706321821.0000 . volume 27674 6 20 141451088.0000 . height 27674 6 20 1456323764.0000 . volume 27674 6 21 1046734464.0000 . height 27674 6 21 11636570725.2000 . volume 27674 6 22 -157456656.0000 . height 27674 6 22 -1661703173.2500 . volume 27674 6 23 -406286144.0000 . height 27674 6 23 -3773583862.0000 . volume 27674 6 24 512968544.0000 . height 27674 6 24 4902370936.0000 . volume 27674 6 25 187060064.0000 . height 27674 6 25 1836329480.0000 . volume 27674 6 26 -75051424.0000 . height 27674 6 26 -874519978.4060 . volume 27674 6 27 112639960.0000 . height 27674 6 27 1232807925.0000 . volume 27674 6 28 -73704312.0000 . height 27674 6 28 -749427897.0000 . volume 27674 6 29 513769632.0000 . height 27674 6 29 6144259665.3100 . volume 27674 6 30 49916068.0000 . height 27674 6 30 12872158.8125 . volume 27674 6 31 -28892694.0000 . height 27674 6 31 -278121282.7500 . volume 27674 6 32 38623996.0000 . height 27674 6 32 379092420.8850 . volume 27674 6 33 127129408.0000 . height 27674 6 33 1317504135.0000 . volume 27674 6 34 -155118048.0000 . height 27674 6 34 -1669468975.0000 . volume 27674 6 35 61147980.0000 . height 27674 6 35 728546098.7500 . volume 27674 6 36 39773920.0000 . height 27674 6 36 494643290.0000 . volume 27674 6 37 -175027184.0000 . height 27674 6 37 -2121347350.0000 . volume 27674 6 38 146848688.0000 . height 27674 6 38 1963095700.0000 . volume 27674 6 39 -131043288.0000 . height 27674 6 39 -1726636935.0000 . volume 27674 6 40 116912632.0000 . height 27674 6 40 1589368816.0000 . volume 27674 6 41 -29185842.0000 . height 27674 6 41 -444331470.0000 . volume 27674 6 42 -25356440.0000 . height 27674 6 42 -300334455.0000 . volume 27674 6 43 26832956.0000 . height 27674 6 43 295462255.7500 . volume 27674 6 44 265006976.0000 . height 27674 6 44 3241887464.0000 . volume 27674 6 45 107453624.0000 . height 27674 6 45 1179203859.8800 . volume 27674 6 46 -34101424.0000 . height 27674 6 46 -528218090.5000 . volume 27674 6 47 -96309688.0000 . height 27674 6 47 -1182900689.5000 . volume 27674 6 48 23174540.0000 . height 27674 6 48 278871386.3750 . volume 27674 6 49 -29495986.0000 . height 27674 6 49 -409913429.5000 . volume 27674 6 50 175229872.0000 . height 27674 6 50 1953571147.6200 . volume 27674 6 51 80620872.0000 . height 27674 6 51 966747726.0000 . volume 27674 6 52 -234268400.0000 . height 27674 6 52 -3381352149.5000 . volume 27674 6 53 -400050240.0000 . height 27674 6 53 -4012665440.0000 . volume 27674 6 54 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6 52 1 55.860 . 83.68101694970 . . . . . . . . . . . 27674 6 52 2 8.253 . 20.24274939040 . . . . . . . . . . . 27674 6 52 3 120.823 . 28.08683819670 . . . . . . . . . . . 27674 6 53 1 56.806 . 61.13992458520 . . . . . . . . . . . 27674 6 53 2 8.221 . 16.25267527710 . . . . . . . . . . . 27674 6 53 3 120.763 . 24.14850475890 . . . . . . . . . . . 27674 6 54 1 45.540 . 72.85849911110 . . . . . . . . . . . 27674 6 54 2 8.221 . 17.85442455960 . . . . . . . . . . . 27674 6 54 3 120.771 . 23.82516540350 . . . . . . . . . . . 27674 6 55 1 30.336 . 60.51398353700 . . . . . . . . . . . 27674 6 55 2 8.221 . 15.93495946400 . . . . . . . . . . . 27674 6 55 3 120.767 . 23.68830239900 . . . . . . . . . . . 27674 6 56 1 53.559 . 77.56445608390 . . . . . . . . . . . 27674 6 56 2 8.244 . 20.30709530910 . . . . . . . . . . . 27674 6 56 3 120.524 . 25.11953782830 . . . . . . . . . . . 27674 6 57 1 38.730 . 65.73044752420 . . . . . . . . . . . 27674 6 57 2 8.245 . 20.45422545080 . . . . . . . . . . . 27674 6 57 3 120.537 . 24.98429882870 . . . . . . . . . . . 27674 6 58 1 64.018 . 75.27020466220 . . . . . . . . . . . 27674 6 58 2 8.353 . 25.11021083590 . . . . . . . . . . . 27674 6 58 3 117.526 . 26.72486657210 . . . . . . . . . . . 27674 6 59 1 58.717 . 60.29696755340 . . . . . . . . . . . 27674 6 59 2 8.354 . 24.58440558980 . . . . . . . . . . . 27674 6 59 3 117.533 . 26.14148344820 . . . . . . . . . . . 27674 6 60 1 64.901 . 74.16557310510 . . . . . . . . . . . 27674 6 60 2 8.031 . 17.22814937030 . . . . . . . . . . . 27674 6 60 3 114.593 . 30.60851164830 . . . . . . . . . . . 27674 6 61 1 61.942 . 86.45749404760 . . . . . . . . . . . 27674 6 61 2 8.184 . 18.22795700780 . . . . . . . . . . . 27674 6 61 3 124.316 . 23.38947536600 . . . . . . . . . . . 27674 6 62 1 33.028 . 94.19013138650 . . . . . . . . . . . 27674 6 62 2 8.183 . 18.89612603120 . . . . . . . . . . . 27674 6 62 3 124.320 . 23.64620007460 . . . . . . . . . . . 27674 6 63 1 63.447 . 55.99719408710 . . . . . . . . . . . 27674 6 63 2 8.514 . 18.42425596060 . . . . . . . . . . . 27674 6 63 3 118.224 . 22.61179021790 . . . . . . . . . . . 27674 6 64 1 53.518 . 66.62448411600 . . . . . . . . . . . 27674 6 64 2 8.514 . 21.03057924510 . . . . . . . . . . . 27674 6 64 3 118.235 . 24.77610141350 . . . . . . . . . . . 27674 6 65 1 38.726 . 57.13522936780 . . . . . . . . . . . 27674 6 65 2 8.514 . 20.44745219620 . . . . . . . . . . . 27674 6 65 3 118.229 . 23.98521107640 . . . . . . . . . . . 27674 6 66 1 32.159 . 72.66630144490 . . . . . . . . . . . 27674 6 66 2 8.515 . 20.02136430950 . . . . . . . . . . . 27674 6 66 3 118.235 . 23.69492021860 . . . . . . . . . . . 27674 6 67 1 56.564 . 91.25954985350 . . . . . . . . . . . 27674 6 67 2 8.343 . 20.24149508400 . . . . . . . . . . . 27674 6 67 3 122.091 . 24.44395183200 . . . . . . . . . . . 27674 6 68 1 32.978 . 71.75956710940 . . . . . . . . . . . 27674 6 68 2 8.342 . 19.24645381080 . . . . . . . . . . . 27674 6 68 3 122.100 . 23.79960762790 . . . . . . . . . . . 27674 6 69 1 30.370 . 57.14446409050 . . . . . . . . . . . 27674 6 69 2 8.345 . 19.42418902880 . . . . . . . . . . . 27674 6 69 3 122.077 . 22.84262220000 . . . . . . . . . . . 27674 6 70 1 64.033 . 69.92849474830 . . . . . . . . . . . 27674 6 70 2 8.177 . 17.23065798310 . . . . . . . . . . . 27674 6 70 3 115.649 . 23.45087289740 . . . . . . . . . . . 27674 6 71 1 58.554 . 68.09742238720 . . . . . . . . . . . 27674 6 71 2 8.177 . 18.17878819660 . . . . . . . . . . . 27674 6 71 3 115.647 . 23.54677038080 . . . . . . . . . . . 27674 6 72 1 56.611 . 97.31060190510 . . . . . . . . . . . 27674 6 72 2 8.178 . 17.77026059970 . . . . . . . . . . . 27674 6 72 3 115.643 . 24.06661431700 . . . . . . . . . . . 27674 6 73 1 30.604 . 68.09395936620 . . . . . . . . . . . 27674 6 73 2 8.176 . 17.35358001110 . . . . . . . . . . . 27674 6 73 3 115.656 . 23.35651821860 . . . . . . . . . . . 27674 6 74 1 64.055 . 67.52342665420 . . . . . . . . . . . 27674 6 74 2 8.276 . 16.86289534440 . . . . . . . . . . . 27674 6 74 3 125.856 . 23.43659180520 . . . . . . . . . . . 27674 6 75 1 58.497 . 67.49500102330 . . . . . . . . . . . 27674 6 75 2 8.277 . 16.47744698530 . . . . . . . . . . . 27674 6 75 3 125.840 . 23.30926475400 . . . . . . . . . . . 27674 6 76 1 52.786 . 72.62445660760 . . . . . . . . . . . 27674 6 76 2 8.278 . 17.67430615950 . . . . . . . . . . . 27674 6 76 3 125.849 . 23.72650711190 . . . . . . . . . . . 27674 6 77 1 19.256 . 70.99077644430 . . . . . . . . . . . 27674 6 77 2 8.278 . 17.94159885500 . . . . . . . . . . . 27674 6 77 3 125.844 . 23.67507183490 . . . . . . . . . . . 27674 6 78 1 33.158 . 55.59822520780 . . . . . . . . . . . 27674 6 78 2 8.245 . 18.10641471690 . . . . . . . . . . . 27674 6 78 3 116.929 . 24.95904555410 . . . . . . . . . . . 27674 6 79 1 63.940 . 69.04340429420 . . . . . . . . . . . 27674 6 79 2 8.245 . 18.89361741840 . . . . . . . . . . . 27674 6 79 3 116.901 . 25.22059152700 . . . . . . . . . . . 27674 6 80 1 58.254 . 72.45664438100 . . . . . . . . . . . 27674 6 80 2 8.245 . 19.15576745760 . . . . . . . . . . . 27674 6 80 3 116.905 . 26.23863953530 . . . . . . . . . . . 27674 6 81 1 56.429 . 97.56369102420 . . . . . . . . . . . 27674 6 81 2 8.245 . 18.76505101160 . . . . . . . . . . . 27674 6 81 3 116.905 . 26.55572647230 . . . . . . . . . . . 27674 6 82 1 69.940 . 65.24288302400 . . . . . . . . . . . 27674 6 82 2 7.975 . 18.61541225710 . . . . . . . . . . . 27674 6 82 3 112.836 . 23.61026896840 . . . . . . . . . . . 27674 6 83 1 61.906 . 65.82798928280 . . . . . . . . . . . 27674 6 83 2 7.975 . 18.44031108260 . . . . . . . . . . . 27674 6 83 3 112.837 . 24.00027372090 . . . . . . . . . . . 27674 6 84 1 45.637 . 58.88694083060 . . . . . . . . . . . 27674 6 84 2 7.975 . 18.96799778830 . . . . . . . . . . . 27674 6 84 3 112.837 . 23.98492687560 . . . . . . . . . . . 27674 6 85 1 56.321 . 80.31467193910 . . . . . . . . . . . 27674 6 85 2 8.325 . 27.45413321990 . . . . . . . . . . . 27674 6 85 3 122.215 . 26.98346903630 . . . . . . . . . . . 27674 6 86 1 64.086 . 59.03065620270 . . . . . . . . . . . 27674 6 86 2 8.319 . 16.82488986020 . . . . . . . . . . . 27674 6 86 3 122.244 . 22.44514702550 . . . . . . . . . . . 27674 6 87 1 58.061 . 92.60435634720 . . . . . . . . . . . 27674 6 87 2 8.319 . 17.96242034130 . . . . . . . . . . . 27674 6 87 3 122.216 . 28.72492998230 . . . . . . . . . . . 27674 6 88 1 29.530 . 62.02905523060 . . . . . . . . . . . 27674 6 88 2 8.319 . 19.24168744650 . . . . . . . . . . . 27674 6 88 3 122.243 . 24.57391281600 . . . . . . . . . . . 27674 6 89 1 59.573 . 63.54109678070 . . . . . . . . . . . 27674 6 89 2 7.879 . 15.68924083880 . . . . . . . . . . . 27674 6 89 3 115.822 . 25.32083322320 . . . . . . . . . . . 27674 6 90 1 27.716 . 72.41638676170 . . . . . . . . . . . 27674 6 90 2 7.879 . 17.77954246710 . . . . . . . . . . . 27674 6 90 3 115.832 . 26.20883904720 . . . . . . . . . . . 27674 6 91 1 42.636 . 64.33023269430 . . . . . . . . . . . 27674 6 91 2 8.112 . 17.18964216360 . . . . . . . . . . . 27674 6 91 3 122.958 . 23.49575633010 . . . . . . . . . . . 27674 6 92 1 62.417 . 64.80481086570 . . . . . . . . . . . 27674 6 92 2 8.111 . 17.12567253680 . . . . . . . . . . . 27674 6 92 3 122.969 . 23.85963490530 . . . . . . . . . . . 27674 6 93 1 55.237 . 68.27576796940 . . . . . . . . . . . 27674 6 93 2 8.112 . 17.25423894360 . . . . . . . . . . . 27674 6 93 3 122.948 . 22.91976242800 . . . . . . . . . . . 27674 6 94 1 32.720 . 55.70038432770 . . . . . . . . . . . 27674 6 94 2 8.111 . 17.29751251460 . . . . . . . . . . . 27674 6 94 3 122.965 . 23.66578963250 . . . . . . . . . . . 27674 6 95 1 64.031 . 73.20407974980 . . . . . . . . . . . 27674 6 95 2 8.232 . 22.99733169230 . . . . . . . . . . . 27674 6 95 3 117.651 . 31.47897822050 . . . . . . . . . . . 27674 6 96 1 58.726 . 68.94009083390 . . . . . . . . . . . 27674 6 96 2 8.233 . 21.49366917080 . . . . . . . . . . . 27674 6 96 3 117.641 . 25.88176448070 . . . . . . . . . . . 27674 6 97 1 45.423 . 75.75387326380 . . . . . . . . . . . 27674 6 97 2 8.249 . 18.83516673980 . . . . . . . . . . . 27674 6 97 3 109.183 . 10.17812527640 . . . . . . . . . . . 27674 6 98 1 56.981 . 74.02091983150 . . . . . . . . . . . 27674 6 98 2 8.216 . 11.02873995050 . . . . . . . . . . . 27674 6 98 3 120.403 . 10.88075095270 . . . . . . . . . . . 27674 6 99 1 69.851 . 64.43047993800 . . . . . . . . . . . 27674 6 99 2 8.145 . 16.69557086960 . . . . . . . . . . . 27674 6 99 3 125.420 . 23.68301677090 . . . . . . . . . . . 27674 6 100 1 61.997 . 67.35287286920 . . . . . . . . . . . 27674 6 100 2 8.145 . 16.83417172760 . . . . . . . . . . . 27674 6 100 3 125.413 . 23.49760109800 . . . . . . . . . . . 27674 6 101 1 55.272 . 56.96092397670 . . . . . . . . . . . 27674 6 101 2 8.145 . 16.34185646260 . . . . . . . . . . . 27674 6 101 3 125.418 . 23.51233640410 . . . . . . . . . . . 27674 6 102 1 42.624 . 57.53463112470 . . . . . . . . . . . 27674 6 102 2 8.145 . 16.72793197490 . . . . . . . . . . . 27674 6 102 3 125.414 . 23.68139022860 . . . . . . . . . . . 27674 6 103 1 64.096 . 55.81307680320 . . . . . . . . . . . 27674 6 103 2 8.059 . 17.81842596570 . . . . . . . . . . . 27674 6 103 3 117.121 . 23.30877247750 . . . . . . . . . . . 27674 6 104 1 58.086 . 55.67527742530 . . . . . . . . . . . 27674 6 104 2 8.059 . 18.39716294220 . . . . . . . . . . . 27674 6 104 3 117.121 . 23.59869793430 . . . . . . . . . . . 27674 6 105 1 38.752 . 59.67535528140 . . . . . . . . . . . 27674 6 105 2 8.060 . 18.14956285730 . . . . . . . . . . . 27674 6 105 3 117.118 . 24.15788338670 . . . . . . . . . . . 27674 6 106 1 57.017 . 51.45443197960 . . . . . . . . . . . 27674 6 106 2 8.396 . 15.49758281970 . . . . . . . . . . . 27674 6 106 3 121.590 . 26.29968181570 . . . . . . . . . . . 27674 6 107 1 30.361 . 45.69802529920 . . . . . . . . . . . 27674 6 107 2 8.396 . 15.27745204510 . . . . . . . . . . . 27674 6 107 3 121.599 . 25.14946011680 . . . . . . . . . . . 27674 6 108 1 56.516 . 72.54307561380 . . . . . . . . . . . 27674 6 108 2 8.189 . 33.94454172630 . . . . . . . . . . . 27674 6 108 3 120.753 . 24.84816662640 . . . . . . . . . . . 27674 6 109 1 45.496 . 75.15217336270 . . . . . . . . . . . 27674 6 109 2 8.190 . 43.79084702630 . . . . . . . . . . . 27674 6 109 3 120.760 . 23.75078598370 . . . . . . . . . . . 27674 6 110 1 33.076 . 71.82594167880 . . . . . . . . . . . 27674 6 110 2 8.187 . 20.50866234880 . . . . . . . . . . . 27674 6 110 3 120.755 . 23.86824213080 . . . . . . . . . . . 27674 6 111 1 64.051 . 72.87148543990 . . . . . . . . . . . 27674 6 111 2 8.227 . 16.67023388020 . . . . . . . . . . . 27674 6 111 3 125.580 . 23.14266977420 . . . . . . . . . . . 27674 6 112 1 58.590 . 79.80301058430 . . . . . . . . . . . 27674 6 112 2 8.226 . 16.29068076120 . . . . . . . . . . . 27674 6 112 3 125.584 . 22.83801662390 . . . . . . . . . . . 27674 6 113 1 52.948 . 60.80285720660 . . . . . . . . . . . 27674 6 113 2 8.227 . 17.41905480550 . . . . . . . . . . . 27674 6 113 3 125.591 . 24.01916546420 . . . . . . . . . . . 27674 6 114 1 19.387 . 61.20889642040 . . . . . . . . . . . 27674 6 114 2 8.227 . 17.69688367480 . . . . . . . . . . . 27674 6 114 3 125.592 . 24.35200778530 . . . . . . . . . . . 27674 6 115 1 63.668 . 74.72261446440 . . . . . . . . . . . 27674 6 115 2 8.253 . 17.11802126770 . . . . . . . . . . . 27674 6 115 3 122.309 . 24.58747325610 . . . . . . . . . . . 27674 6 116 1 59.117 . 101.15441093800 . . . . . . . . . . . 27674 6 116 2 8.253 . 17.24219760210 . . . . . . . . . . . 27674 6 116 3 122.301 . 24.23175530490 . . . . . . . . . . . 27674 6 117 1 56.604 . 57.81629016720 . . . . . . . . . . . 27674 6 117 2 8.253 . 17.18575381370 . . . . . . . . . . . 27674 6 117 3 122.305 . 25.21442030870 . . . . . . . . . . . 27674 6 118 1 30.608 . 63.45177969710 . . . . . . . . . . . 27674 6 118 2 8.253 . 17.47386799550 . . . . . . . . . . . 27674 6 118 3 122.320 . 25.43234145270 . . . . . . . . . . . 27674 6 119 1 63.918 . 61.28912307390 . . . . . . . . . . . 27674 6 119 2 8.039 . 18.17226580330 . . . . . . . . . . . 27674 6 119 3 121.848 . 22.64447331450 . . . . . . . . . . . 27674 6 120 1 58.260 . 75.14582449080 . . . . . . . . . . . 27674 6 120 2 8.039 . 18.76091180040 . . . . . . . . . . . 27674 6 120 3 121.846 . 24.03951373690 . . . . . . . . . . . 27674 6 121 1 38.820 . 73.30638316230 . . . . . . . . . . . 27674 6 121 2 8.040 . 18.78399103830 . . . . . . . . . . . 27674 6 121 3 121.847 . 24.49559518460 . . . . . . . . . . . 27674 6 122 1 45.324 . 90.34964108210 . . . . . . . . . . . 27674 6 122 2 8.215 . 10.14909486680 . . . . . . . . . . . 27674 6 122 3 109.184 . 10.06826135180 . . . . . . . . . . . 27674 6 123 1 63.428 . 65.72568587030 . . . . . . . . . . . 27674 6 123 2 8.202 . 16.65029040830 . . . . . . . . . . . 27674 6 123 3 108.974 . 24.28983377660 . . . . . . . . . . . 27674 6 124 1 44.712 . 69.15595247710 . . . . . . . . . . . 27674 6 124 2 8.201 . 16.37170895520 . . . . . . . . . . . 27674 6 124 3 108.955 . 24.38483805730 . . . . . . . . . . . 27674 6 125 1 32.328 . 65.29872423780 . . . . . . . . . . . 27674 6 125 2 8.202 . 16.22181933940 . . . . . . . . . . . 27674 6 125 3 108.933 . 24.16308020200 . . . . . . . . . . . 27674 6 126 1 64.035 . 72.29056366490 . . . . . . . . . . . 27674 6 126 2 8.340 . 19.96692741140 . . . . . . . . . . . 27674 6 126 3 110.590 . 26.86802259510 . . . . . . . . . . . 27674 6 127 1 58.743 . 61.13155561780 . . . . . . . . . . . 27674 6 127 2 8.339 . 19.64331635820 . . . . . . . . . . . 27674 6 127 3 110.582 . 24.11760806760 . . . . . . . . . . . 27674 6 128 1 45.542 . 72.54538429450 . . . . . . . . . . . 27674 6 128 2 8.339 . 21.51574496350 . . . . . . . . . . . 27674 6 128 3 110.594 . 28.32126328950 . . . . . . . . . . . 27674 6 129 1 44.713 . 65.93909454030 . . . . . . . . . . . 27674 6 129 2 8.213 . 14.47971316990 . . . . . . . . . . . 27674 6 129 3 109.601 . 6.39890370879 . . . . . . . . . . . 27674 6 130 1 45.455 . 70.87534241050 . . . . . . . . . . . 27674 6 130 2 8.394 . 17.22250499150 . . . . . . . . . . . 27674 6 130 3 120.698 . 24.27741013990 . . . . . . . . . . . 27674 6 131 1 56.998 . 57.97212611280 . . . . . . . . . . . 27674 6 131 2 8.393 . 17.05693654560 . . . . . . . . . . . 27674 6 131 3 120.714 . 22.83310147190 . . . . . . . . . . . 27674 6 132 1 56.102 . 84.90577204830 . . . . . . . . . . . 27674 6 132 2 8.389 . 16.33031684370 . . . . . . . . . . . 27674 6 132 3 120.709 . 25.32270082870 . . . . . . . . . . . 27674 6 133 1 30.176 . 59.72095172480 . . . . . . . . . . . 27674 6 133 2 8.393 . 16.82702218110 . . . . . . . . . . . 27674 6 133 3 120.717 . 24.01890917600 . . . . . . . . . . . 27674 6 134 1 63.918 . 61.50051164830 . . . . . . . . . . . 27674 6 134 2 8.066 . 16.99635354620 . . . . . . . . . . . 27674 6 134 3 123.715 . 23.23386525620 . . . . . . . . . . . 27674 6 135 1 38.801 . 69.17730777340 . . . . . . . . . . . 27674 6 135 2 8.065 . 17.68371345750 . . . . . . . . . . . 27674 6 135 3 123.710 . 23.71313952240 . . . . . . . . . . . 27674 6 136 1 58.725 . 87.43348880330 . . . . . . . . . . . 27674 6 136 2 8.064 . 17.71406767260 . . . . . . . . . . . 27674 6 136 3 123.716 . 24.41258823930 . . . . . . . . . . . 27674 6 137 1 46.088 . 71.19134307800 . . . . . . . . . . . 27674 6 137 2 8.495 . 19.30114157020 . . . . . . . . . . . 27674 6 137 3 109.682 . 28.03064763070 . . . . . . . . . . . 27674 6 138 1 63.926 . 65.39410160830 . . . . . . . . . . . 27674 6 138 2 8.126 . 18.60575409780 . . . . . . . . . . . 27674 6 138 3 114.420 . 23.66540393140 . . . . . . . . . . . 27674 6 139 1 58.502 . 56.62602098620 . . . . . . . . . . . 27674 6 139 2 8.125 . 19.33513327390 . . . . . . . . . . . 27674 6 139 3 114.425 . 23.79540551550 . . . . . . . . . . . 27674 6 140 1 52.794 . 73.69164425010 . . . . . . . . . . . 27674 6 140 2 8.125 . 20.56322467760 . . . . . . . . . . . 27674 6 140 3 114.426 . 23.42164081110 . . . . . . . . . . . 27674 6 141 1 19.260 . 73.11995719770 . . . . . . . . . . . 27674 6 141 2 8.126 . 20.13939454240 . . . . . . . . . . . 27674 6 141 3 114.427 . 23.28969042110 . . . . . . . . . . . 27674 6 142 1 64.045 . 68.37157821750 . . . . . . . . . . . 27674 6 142 2 8.210 . 17.59315253490 . . . . . . . . . . . 27674 6 142 3 116.504 . 25.64559358280 . . . . . . . . . . . 27674 6 143 1 58.495 . 70.09241107630 . . . . . . . . . . . 27674 6 143 2 8.209 . 18.29506240060 . . . . . . . . . . . 27674 6 143 3 116.510 . 24.71853044340 . . . . . . . . . . . 27674 6 144 1 56.579 . 84.40190249080 . . . . . . . . . . . 27674 6 144 2 8.211 . 17.90058303540 . . . . . . . . . . . 27674 6 144 3 116.501 . 25.14678050880 . . . . . . . . . . . 27674 6 145 1 32.915 . 60.62884040060 . . . . . . . . . . . 27674 6 145 2 8.209 . 18.05034722050 . . . . . . . . . . . 27674 6 145 3 116.502 . 25.21884572180 . . . . . . . . . . . 27674 6 146 1 44.742 . 58.64626087020 . . . . . . . . . . . 27674 6 146 2 8.395 . 17.88954513900 . . . . . . . . . . . 27674 6 146 3 110.011 . 28.64979946030 . . . . . . . . . . . 27674 6 147 1 56.583 . 54.95900924560 . . . . . . . . . . . 27674 6 147 2 8.209 . 15.70579768330 . . . . . . . . . . . 27674 6 147 3 119.555 . 27.83101684080 . . . . . . . . . . . 27674 6 148 1 46.081 . 65.72034704630 . . . . . . . . . . . 27674 6 148 2 8.209 . 16.26346231220 . . . . . . . . . . . 27674 6 148 3 119.552 . 27.93186753880 . . . . . . . . . . . 27674 6 149 1 29.450 . 70.20120765320 . . . . . . . . . . . 27674 6 149 2 8.209 . 16.40018171060 . . . . . . . . . . . 27674 6 149 3 119.549 . 27.27223738960 . . . . . . . . . . . 27674 6 150 1 64.264 . 77.61625710660 . . . . . . . . . . . 27674 6 150 2 7.837 . 15.98224681560 . . . . . . . . . . . 27674 6 150 3 121.012 . 24.50501441240 . . . . . . . . . . . 27674 6 151 1 56.926 . 131.95812714900 . . . . . . . . . . . 27674 6 151 2 8.344 . 19.67592832480 . . . . . . . . . . . 27674 6 151 3 122.065 . 24.88726454200 . . . . . . . . . . . 27674 6 152 1 57.775 . 73.13077913840 . . . . . . . . . . . 27674 6 152 2 8.143 . 20.45184226860 . . . . . . . . . . . 27674 6 152 3 119.032 . 28.51236805420 . . . . . . . . . . . 27674 6 153 1 28.845 . 73.84661444040 . . . . . . . . . . . 27674 6 153 2 8.143 . 17.52868118560 . . . . . . . . . . . 27674 6 153 3 119.048 . 28.86128548520 . . . . . . . . . . . 27674 6 154 1 34.697 . 77.55146975510 . . . . . . . . . . . 27674 6 154 2 8.397 . 11.27257711610 . . . . . . . . . . . 27674 6 154 3 110.065 . 21.97846894650 . . . . . . . . . . . 27674 6 155 1 56.924 . 85.78451363060 . . . . . . . . . . . 27674 6 155 2 7.367 . 16.83831093880 . . . . . . . . . . . 27674 6 155 3 117.563 . 32.24433108210 . . . . . . . . . . . 27674 6 156 1 59.209 . 104.72796003900 . . . . . . . . . . . 27674 6 156 2 7.370 . 17.41930566680 . . . . . . . . . . . 27674 6 156 3 117.475 . 26.74605983470 . . . . . . . . . . . 27674 6 157 1 42.300 . 79.33550274740 . . . . . . . . . . . 27674 6 157 2 7.791 . 18.47480450880 . . . . . . . . . . . 27674 6 157 3 117.840 . 29.57166578440 . . . . . . . . . . . 27674 6 158 1 56.290 . 79.47027198190 . . . . . . . . . . . 27674 6 158 2 7.794 . 18.28640768640 . . . . . . . . . . . 27674 6 158 3 117.860 . 30.29926053440 . . . . . . . . . . . 27674 6 159 1 33.090 . 69.08207469550 . . . . . . . . . . . 27674 6 159 2 7.960 . 15.97459554650 . . . . . . . . . . . 27674 6 159 3 119.912 . 28.47408214100 . . . . . . . . . . . 27674 6 160 1 57.813 . 104.45741152300 . . . . . . . . . . . 27674 6 160 2 7.964 . 24.79600708080 . . . . . . . . . . . 27674 6 160 3 119.939 . 31.67759400740 . . . . . . . . . . . 27674 6 161 1 58.167 . 171.03904075300 . . . . . . . . . . . 27674 6 161 2 7.835 . 12.90744008790 . . . . . . . . . . . 27674 6 161 3 121.064 . 22.99209154170 . . . . . . . . . . . 27674 6 162 1 27.895 . 86.31522160090 . . . . . . . . . . . 27674 6 162 2 8.500 . 18.29430981680 . . . . . . . . . . . 27674 6 162 3 109.759 . 26.25276837700 . . . . . . . . . . . 27674 6 163 1 59.728 . 75.73554811100 . . . . . . . . . . . 27674 6 163 2 8.493 . 18.16938089860 . . . . . . . . . . . 27674 6 163 3 109.647 . 24.71353662860 . . . . . . . . . . . 27674 6 164 1 60.913 . 102.33356959300 . . . . . . . . . . . 27674 6 164 2 8.060 . 22.21589880030 . . . . . . . . . . . 27674 6 164 3 117.183 . 23.31636470000 . . . . . . . . . . . 27674 6 165 1 68.898 . 81.91375796540 . . . . . . . . . . . 27674 6 165 2 8.031 . 19.80662705250 . . . . . . . . . . . 27674 6 165 3 114.523 . 31.09449508440 . . . . . . . . . . . 27674 6 166 1 63.759 . 96.31887926230 . . . . . . . . . . . 27674 6 166 2 8.027 . 18.59659766100 . . . . . . . . . . . 27674 6 166 3 114.572 . 30.03401995070 . . . . . . . . . . . 27674 6 167 1 18.982 . 59.34001941330 . . . . . . . . . . . 27674 6 167 2 8.020 . 19.31330834240 . . . . . . . . . . . 27674 6 167 3 112.934 . 27.28254982010 . . . . . . . . . . . 27674 6 168 1 63.627 . 83.13270528920 . . . . . . . . . . . 27674 6 168 2 8.020 . 15.30253817330 . . . . . . . . . . . 27674 6 168 3 112.921 . 28.66490270490 . . . . . . . . . . . 27674 6 169 1 28.699 . 84.92539583400 . . . . . . . . . . . 27674 6 169 2 8.090 . 18.13990469800 . . . . . . . . . . . 27674 6 169 3 122.397 . 21.97493673600 . . . . . . . . . . . 27674 6 170 1 32.889 . 81.88659489430 . . . . . . . . . . . 27674 6 170 2 8.112 . 12.93716714970 . . . . . . . . . . . 27674 6 170 3 122.387 . 12.24645778830 . . . . . . . . . . . 27674 6 171 1 30.223 . 74.60732472320 . . . . . . . . . . . 27674 6 171 2 8.042 . 16.36192536520 . . . . . . . . . . . 27674 6 171 3 119.628 . 37.04760947580 . . . . . . . . . . . 27674 6 172 1 38.888 . 81.35444399850 . . . . . . . . . . . 27674 6 172 2 8.043 . 17.56530693270 . . . . . . . . . . . 27674 6 172 3 119.570 . 73.20814693040 . . . . . . . . . . . 27674 6 173 1 38.962 . 58.79343926320 . . . . . . . . . . . 27674 6 173 2 8.004 . 17.28910866170 . . . . . . . . . . . 27674 6 173 3 118.513 . 30.16836574770 . . . . . . . . . . . 27674 6 174 1 29.748 . 89.65703687930 . . . . . . . . . . . 27674 6 174 2 8.625 . 16.25806879460 . . . . . . . . . . . 27674 6 174 3 118.528 . 29.23131497870 . . . . . . . . . . . 27674 6 175 1 58.159 . 81.30394160880 . . . . . . . . . . . 27674 6 175 2 8.630 . 21.97168534270 . . . . . . . . . . . 27674 6 175 3 118.459 . 31.04849514840 . . . . . . . . . . . 27674 6 176 1 39.749 . 95.83852938910 . . . . . . . . . . . 27674 6 176 2 8.682 . 35.75049209200 . . . . . . . . . . . 27674 6 176 3 119.565 . 25.27369648390 . . . . . . . . . . . 27674 6 177 1 51.871 . 65.83549249500 . . . . . . . . . . . 27674 6 177 2 8.684 . 36.88250362490 . . . . . . . . . . . 27674 6 177 3 119.593 . 30.43080492320 . . . . . . . . . . . 27674 6 178 1 19.613 . 57.86938982270 . . . . . . . . . . . 27674 6 178 2 8.678 . 28.96030435420 . . . . . . . . . . . 27674 6 178 3 119.571 . 29.40593609470 . . . . . . . . . . . 27674 6 179 1 40.181 . 79.14503659170 . . . . . . . . . . . 27674 6 179 2 7.835 . 14.82903750440 . . . . . . . . . . . 27674 6 179 3 120.985 . 26.69388868060 . . . . . . . . . . . 27674 6 180 1 39.662 . 78.06226535470 . . . . . . . . . . . 27674 6 180 2 7.638 . 16.28089717120 . . . . . . . . . . . 27674 6 180 3 123.302 . 28.70067141060 . . . . . . . . . . . 27674 6 181 1 42.395 . 82.54399171680 . . . . . . . . . . . 27674 6 181 2 7.636 . 19.37075557580 . . . . . . . . . . . 27674 6 181 3 123.310 . 31.08002114160 . . . . . . . . . . . 27674 6 182 1 63.439 . 69.61638997940 . . . . . . . . . . . 27674 6 182 2 7.963 . 16.67876316370 . . . . . . . . . . . 27674 6 182 3 119.899 . 24.41285214010 . . . . . . . . . . . 27674 6 183 1 61.024 . 98.69725323610 . . . . . . . . . . . 27674 6 183 2 7.958 . 25.42014994930 . . . . . . . . . . . 27674 6 183 3 119.899 . 22.67926761730 . . . . . . . . . . . 27674 6 184 1 39.881 . 84.50867897200 . . . . . . . . . . . 27674 6 184 2 7.369 . 15.30981315040 . . . . . . . . . . . 27674 6 184 3 117.492 . 36.05944315580 . . . . . . . . . . . 27674 6 185 1 57.065 . 77.65160877940 . . . . . . . . . . . 27674 6 185 2 7.640 . 18.38938624250 . . . . . . . . . . . 27674 6 185 3 123.292 . 29.05888626910 . . . . . . . . . . . 27674 6 186 1 64.048 . 39.84248964240 . . . . . . . . . . . 27674 6 186 2 8.060 . 19.23491419190 . . . . . . . . . . . 27674 6 186 3 117.179 . 24.18914547900 . . . . . . . . . . . 27674 6 187 1 59.561 . 71.96547256720 . . . . . . . . . . . 27674 6 187 2 8.002 . 17.29073926000 . . . . . . . . . . . 27674 6 187 3 118.583 . 32.23600805750 . . . . . . . . . . . 27674 6 188 1 58.128 . 94.62661632680 . . . . . . . . . . . 27674 6 188 2 8.002 . 12.54431838290 . . . . . . . . . . . 27674 6 188 3 118.471 . 34.77286595400 . . . . . . . . . . . 27674 6 189 1 29.682 . 89.63568158310 . . . . . . . . . . . 27674 6 189 2 8.003 . 10.34802786310 . . . . . . . . . . . 27674 6 189 3 118.475 . 24.32649568490 . . . . . . . . . . . 27674 6 190 1 42.419 . 60.67270533340 . . . . . . . . . . . 27674 6 190 2 7.885 . 15.89181132360 . . . . . . . . . . . 27674 6 190 3 110.198 . 24.06133630140 . . . . . . . . . . . 27674 6 191 1 33.112 . 66.17025119300 . . . . . . . . . . . 27674 6 191 2 7.885 . 16.21404263970 . . . . . . . . . . . 27674 6 191 3 110.213 . 22.73354997770 . . . . . . . . . . . 27674 6 192 1 55.874 . 68.93287620680 . . . . . . . . . . . 27674 6 192 2 7.883 . 16.46803968730 . . . . . . . . . . . 27674 6 192 3 110.196 . 24.14399814560 . . . . . . . . . . . 27674 6 193 1 61.927 . 57.39654316180 . . . . . . . . . . . 27674 6 193 2 7.885 . 16.19572976620 . . . . . . . . . . . 27674 6 193 3 110.202 . 23.81221396520 . . . . . . . . . . . 27674 6 194 1 29.647 . 77.93990527890 . . . . . . . . . . . 27674 6 194 2 8.397 . 14.21931915960 . . . . . . . . . . . 27674 6 194 3 121.606 . 25.97327715110 . . . . . . . . . . . 27674 6 195 1 52.262 . 83.44351142520 . . . . . . . . . . . 27674 6 195 2 7.639 . 17.29487847120 . . . . . . . . . . . 27674 6 195 3 123.293 . 30.71342235830 . . . . . . . . . . . 27674 6 196 1 32.826 . 76.47966475130 . . . . . . . . . . . 27674 6 196 2 8.249 . 22.58566832930 . . . . . . . . . . . 27674 6 196 3 120.562 . 41.44038005650 . . . . . . . . . . . 27674 6 197 1 32.679 . 75.48289186950 . . . . . . . . . . . 27674 6 197 2 8.373 . 20.96548074250 . . . . . . . . . . . 27674 6 197 3 109.466 . 25.65960062420 . . . . . . . . . . . 27674 6 198 1 64.084 . 58.07313089240 . . . . . . . . . . . 27674 6 198 2 8.161 . 14.73697141410 . . . . . . . . . . . 27674 6 198 3 117.176 . 33.88388572700 . . . . . . . . . . . 27674 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 . . 55.948 . . 1 . 1 1 43 GLN CA . . . . . . . . . . 278 . 27674 6 1 2 1 . . 8.212 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 6 1 3 1 . . 110.004 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 6 2 1 1 . . 44.621 . . 1 . 1 1 44 GLY CA . . . . . . . . . . 277 . 27674 6 2 2 1 . . 8.211 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 6 2 3 1 . . 110.003 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 6 3 1 1 . . 29.769 . . 1 . 1 1 43 GLN CB . . . . . . . . . . 279 . 27674 6 3 2 1 . . 8.211 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 6 3 3 1 . . 110.003 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 6 4 2 1 . . 8.494 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 6 4 3 1 . . 109.975 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 6 5 2 1 . . 8.494 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 6 5 3 1 . . 109.980 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 6 6 2 1 . . 8.496 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 6 6 3 1 . . 109.956 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 6 7 2 1 . . 8.310 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 6 7 3 1 . . 107.505 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 6 8 2 1 . . 8.309 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 6 8 3 1 . . 107.493 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 6 9 2 1 . . 8.310 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 6 9 3 1 . . 107.508 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 6 10 1 1 . . 63.665 . . 1 . 1 1 20 SER CB . . . . . . . . . . 158 . 27674 6 10 2 1 . . 8.300 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 6 10 3 1 . . 115.896 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 6 11 1 1 . . 59.113 . . 1 . 1 1 20 SER CA . . . . . . . . . . 157 . 27674 6 11 2 1 . . 8.300 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 6 11 3 1 . . 115.896 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 6 12 2 1 . . 8.301 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 6 12 3 1 . . 115.882 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 6 13 2 1 . . 8.301 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 6 13 3 1 . . 115.893 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 6 14 2 1 . . 7.603 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 6 14 3 1 . . 117.204 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 6 15 2 1 . . 7.603 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 6 15 3 1 . . 117.201 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 6 16 1 2 . . 39.669 . . 1 . 1 1 3 PHE CB . . . . . . . . . . 181 . 27674 6 16 2 1 . . 7.603 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 6 16 3 1 . . 117.193 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 6 17 2 1 . . 8.086 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 6 17 3 1 . . 115.363 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 6 18 1 1 . . 62.002 . . 1 . 1 1 67 THR CA . . . . . . . . . . 234 . 27674 6 18 2 1 . . 8.085 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 6 18 3 1 . . 115.361 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 6 19 2 1 . . 8.086 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 6 19 3 1 . . 115.360 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 6 20 2 1 . . 8.087 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 6 20 3 1 . . 115.366 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 6 21 1 1 . . 45.472 . . 1 . 1 1 53 GLY CA . . . . . . . . . . 140 . 27674 6 21 2 1 . . 8.242 . . 1 . 1 1 53 GLY H . . . . . . . . . . 16 . 27674 6 21 3 1 . . 108.741 . . 1 . 1 1 53 GLY N . . . . . . . . . . 15 . 27674 6 22 1 1 . . 63.388 . . 1 . 1 1 62 PRO CA . . . . . . . . . . 271 . 27674 6 22 2 1 . . 8.032 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 6 22 3 1 . . 120.159 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 6 23 1 1 . . 58.090 . . 1 . 1 1 63 TYR CA . . . . . . . . . . 272 . 27674 6 23 2 1 . . 8.033 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 6 23 3 1 . . 120.165 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 6 24 1 1 . . 38.756 . . 1 . 1 1 63 TYR CB . . . . . . . . . . 276 . 27674 6 24 2 1 . . 8.033 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 6 24 3 1 . . 120.165 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 6 25 1 1 . . 31.896 . . 1 . 1 1 62 PRO CB . . . . . . . . . . 275 . 27674 6 25 2 1 . . 8.033 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 6 25 3 1 . . 120.162 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 6 26 1 1 . . 59.663 . . 1 . 1 1 17 CYS CA . . . . . . . . . . 183 . 27674 6 26 2 1 . . 8.106 . . 1 . 1 1 17 CYS H . . . . . . . . . . 20 . 27674 6 26 3 1 . . 119.117 . . 1 . 1 1 17 CYS N . . . . . . . . . . 19 . 27674 6 27 1 1 . . 27.814 . . 1 . 1 1 17 CYS CB . . . . . . . . . . 184 . 27674 6 27 2 1 . . 8.105 . . 1 . 1 1 17 CYS H . . . . . . . . . . 20 . 27674 6 27 3 1 . . 119.110 . . 1 . 1 1 17 CYS N . . . . . . . . . . 19 . 27674 6 28 2 1 . . 8.370 . . 1 . 1 1 53 GLY H . . . . . . . . . . 22 . 27674 6 28 3 1 . . 109.463 . . 1 . 1 1 53 GLY N . . . . . . . . . . 21 . 27674 6 29 2 2 . . 8.371 . . 1 . 1 1 50 GLY H . . . . . . . . . . 285 . 27674 6 29 3 2 . . 109.476 . . 1 . 1 1 50 GLY N . . . . . . . . . . 286 . 27674 6 30 2 2 . . 8.105 . . 1 . . . . . . . . . . . . . . . . 177 . 27674 6 30 3 2 . . 122.531 . . 1 . . . . . . . . . . . . . . . . 178 . 27674 6 31 1 1 . . 54.197 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 194 . 27674 6 31 2 1 . . 8.097 . . 1 . 1 1 10 ALA H . . . . . . . . . . 24 . 27674 6 31 3 1 . . 122.475 . . 1 . 1 1 10 ALA N . . . . . . . . . . 23 . 27674 6 32 1 1 . . 18.994 . . 1 . 1 1 10 ALA CB . . . . . . . . . . 193 . 27674 6 32 2 1 . . 8.097 . . 1 . 1 1 10 ALA H . . . . . . . . . . 24 . 27674 6 32 3 1 . . 122.481 . . 1 . 1 1 10 ALA N . . . . . . . . . . 23 . 27674 6 33 1 1 . . 64.071 . . 1 . 1 1 64 SER CB . . . . . . . . . . 294 . 27674 6 33 2 1 . . 8.115 . . 1 . 1 1 64 SER H . . . . . . . . . . 26 . 27674 6 33 3 1 . . 116.976 . . 1 . 1 1 64 SER N . . . . . . . . . . 25 . 27674 6 34 1 1 . . 58.271 . . 1 . 1 1 64 SER CA . . . . . . . . . . 311 . 27674 6 34 2 1 . . 8.115 . . 1 . 1 1 64 SER H . . . . . . . . . . 26 . 27674 6 34 3 1 . . 116.974 . . 1 . 1 1 64 SER N . . . . . . . . . . 25 . 27674 6 35 2 1 . . 8.116 . . 1 . 1 1 64 SER H . . . . . . . . . . 26 . 27674 6 35 3 1 . . 116.981 . . 1 . 1 1 64 SER N . . . . . . . . . . 25 . 27674 6 36 2 1 . . 8.435 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 6 36 3 1 . . 122.037 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 6 37 2 1 . . 8.433 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 6 37 3 1 . . 122.026 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 6 38 2 1 . . 8.430 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 6 38 3 1 . . 122.047 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 6 39 2 1 . . 8.423 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 6 39 3 1 . . 122.096 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 6 40 2 1 . . 8.425 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 6 40 3 1 . . 122.092 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 6 41 2 1 . . 8.433 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 6 41 3 1 . . 122.022 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 6 42 2 1 . . 8.312 . . 1 . . . . . . . . . . . . . . . . 32 . 27674 6 42 3 1 . . 110.131 . . 1 . . . . . . . . . . . . . . . . 31 . 27674 6 43 2 1 . . 8.310 . . 1 . . . . . . . . . . . . . . . . 32 . 27674 6 43 3 1 . . 110.148 . . 1 . . . . . . . . . . . . . . . . 31 . 27674 6 44 2 1 . . 8.308 . . 1 . . . . . . . . . . . . . . . . 32 . 27674 6 44 3 1 . . 110.130 . . 1 . . . . . . . . . . . . . . . . 31 . 27674 6 45 1 1 . . 63.940 . . 1 . 1 1 26 SER CB . . . . . . . . . . 244 . 27674 6 45 2 1 . . 8.288 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 6 45 3 1 . . 117.711 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 6 46 2 1 . . 8.290 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 6 46 3 1 . . 117.709 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 6 47 2 1 . . 8.290 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 6 47 3 1 . . 117.717 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 6 48 1 1 . . 69.931 . . 1 . 1 1 25 THR CB . . . . . . . . . . 240 . 27674 6 48 2 1 . . 8.287 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 6 48 3 1 . . 117.714 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 6 49 2 1 . . 7.835 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 6 49 3 1 . . 121.001 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 6 50 2 1 . . 8.253 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 6 50 3 1 . . 120.836 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 6 51 2 1 . . 8.255 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 6 51 3 1 . . 120.841 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 6 52 2 1 . . 8.253 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 6 52 3 1 . . 120.823 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 6 53 1 1 . . 56.806 . . 1 . . . . . . . . . . . . . . . . 154 . 27674 6 53 2 2 . . 8.221 . . 1 . . . . . . . . . . . . . . . . 116 . 27674 6 53 3 2 . . 120.763 . . 1 . . . . . . . . . . . . . . . . 115 . 27674 6 54 2 2 . . 8.221 . . 1 . . . . . . . . . . . . . . . . 116 . 27674 6 54 3 2 . . 120.771 . . 1 . . . . . . . . . . . . . . . . 115 . 27674 6 55 2 2 . . 8.221 . . 1 . . . . . . . . . . . . . . . . 116 . 27674 6 55 3 2 . . 120.767 . . 1 . . . . . . . . . . . . . . . . 115 . 27674 6 56 2 1 . . 8.244 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 6 56 3 1 . . 120.524 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 6 57 2 1 . . 8.245 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 6 57 3 1 . . 120.537 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 6 58 2 1 . . 8.353 . . 1 . . . . . . . . . . . . . . . . 44 . 27674 6 58 3 1 . . 117.526 . . 1 . . . . . . . . . . . . . . . . 43 . 27674 6 59 2 1 . . 8.354 . . 1 . . . . . . . . . . . . . . . . 44 . 27674 6 59 3 1 . . 117.533 . . 1 . . . . . . . . . . . . . . . . 43 . 27674 6 60 1 2 . . 64.901 . . 1 . 1 1 12 THR CA . . . . . . . . . . 212 . 27674 6 60 2 1 . . 8.031 . . 1 . 1 1 12 THR H . . . . . . . . . . 46 . 27674 6 60 3 1 . . 114.593 . . 1 . 1 1 12 THR N . . . . . . . . . . 45 . 27674 6 61 1 1 . . 61.942 . . 1 . 1 1 70 VAL CA . . . . . . . . . . 224 . 27674 6 61 2 1 . . 8.184 . . 1 . 1 1 70 VAL H . . . . . . . . . . 48 . 27674 6 61 3 1 . . 124.316 . . 1 . 1 1 70 VAL N . . . . . . . . . . 47 . 27674 6 62 1 2 . . 33.028 . . 1 . 1 1 70 VAL CB . . . . . . . . . . 245 . 27674 6 62 2 1 . . 8.183 . . 1 . 1 1 70 VAL H . . . . . . . . . . 48 . 27674 6 62 3 1 . . 124.320 . . 1 . 1 1 70 VAL N . . . . . . . . . . 47 . 27674 6 63 1 1 . . 63.447 . . 1 . 1 1 47 PRO CA . . . . . . . . . . 302 . 27674 6 63 2 1 . . 8.514 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 6 63 3 1 . . 118.224 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 6 64 1 1 . . 53.518 . . 1 . 1 1 48 ASN CA . . . . . . . . . . 301 . 27674 6 64 2 1 . . 8.514 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 6 64 3 1 . . 118.235 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 6 65 1 1 . . 38.726 . . 1 . 1 1 48 ASN CB . . . . . . . . . . 300 . 27674 6 65 2 1 . . 8.514 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 6 65 3 1 . . 118.229 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 6 66 1 1 . . 32.159 . . 1 . 1 1 47 PRO CB . . . . . . . . . . 299 . 27674 6 66 2 1 . . 8.515 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 6 66 3 1 . . 118.235 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 6 67 2 3 . . 8.343 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 6 67 3 3 . . 122.091 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 6 68 2 3 . . 8.342 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 6 68 3 3 . . 122.100 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 6 69 2 2 . . 8.345 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 6 69 3 2 . . 122.077 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 6 70 1 1 . . 64.033 . . 1 . 1 1 22 SER CB . . . . . . . . . . 136 . 27674 6 70 2 1 . . 8.177 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 6 70 3 1 . . 115.649 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 6 71 1 1 . . 58.554 . . 1 . 1 1 22 SER CA . . . . . . . . . . 135 . 27674 6 71 2 1 . . 8.177 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 6 71 3 1 . . 115.647 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 6 72 2 1 . . 8.178 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 6 72 3 1 . . 115.643 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 6 73 2 1 . . 8.176 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 6 73 3 1 . . 115.656 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 6 74 2 1 . . 8.276 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 6 74 3 1 . . 125.856 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 6 75 2 1 . . 8.277 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 6 75 3 1 . . 125.840 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 6 76 2 1 . . 8.278 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 6 76 3 1 . . 125.849 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 6 77 1 1 . . 19.256 . . 1 . 1 1 35 ALA CB . . . . . . . . . . 259 . 27674 6 77 2 1 . . 8.278 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 6 77 3 1 . . 125.844 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 6 78 2 1 . . 8.245 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 6 78 3 1 . . 116.929 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 6 79 1 1 . . 63.940 . . 1 . . . . . . . . . . . . . . . . 298 . 27674 6 79 2 1 . . 8.245 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 6 79 3 1 . . 116.901 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 6 80 1 1 . . 58.254 . . 1 . . . . . . . . . . . . . . . . 296 . 27674 6 80 2 1 . . 8.245 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 6 80 3 1 . . 116.905 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 6 81 2 1 . . 8.245 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 6 81 3 1 . . 116.905 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 6 82 1 1 . . 69.940 . . 1 . 1 1 25 THR CB . . . . . . . . . . 240 . 27674 6 82 2 1 . . 7.975 . . 1 . 1 1 25 THR H . . . . . . . . . . 64 . 27674 6 82 3 1 . . 112.836 . . 1 . 1 1 25 THR N . . . . . . . . . . 63 . 27674 6 83 1 1 . . 61.906 . . 1 . 1 1 25 THR CA . . . . . . . . . . 239 . 27674 6 83 2 1 . . 7.975 . . 1 . 1 1 25 THR H . . . . . . . . . . 64 . 27674 6 83 3 1 . . 112.837 . . 1 . 1 1 25 THR N . . . . . . . . . . 63 . 27674 6 84 2 1 . . 7.975 . . 1 . 1 1 25 THR H . . . . . . . . . . 64 . 27674 6 84 3 1 . . 112.837 . . 1 . 1 1 25 THR N . . . . . . . . . . 63 . 27674 6 85 2 1 . . 8.325 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 6 85 3 1 . . 122.215 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 6 86 2 1 . . 8.319 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 6 86 3 1 . . 122.244 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 6 87 2 2 . . 8.319 . . 1 . 1 1 65 GLN H . . . . . . . . . . 128 . 27674 6 87 3 2 . . 122.216 . . 1 . 1 1 65 GLN N . . . . . . . . . . 127 . 27674 6 88 2 2 . . 8.319 . . 1 . 1 1 65 GLN H . . . . . . . . . . 128 . 27674 6 88 3 2 . . 122.243 . . 1 . 1 1 65 GLN N . . . . . . . . . . 127 . 27674 6 89 1 1 . . 59.573 . . 1 . 1 1 16 CYS CA . . . . . . . . . . 188 . 27674 6 89 2 1 . . 7.879 . . 1 . 1 1 16 CYS H . . . . . . . . . . 68 . 27674 6 89 3 1 . . 115.822 . . 1 . 1 1 16 CYS N . . . . . . . . . . 67 . 27674 6 90 1 1 . . 27.716 . . 1 . 1 1 16 CYS CB . . . . . . . . . . 186 . 27674 6 90 2 1 . . 7.879 . . 1 . 1 1 16 CYS H . . . . . . . . . . 68 . 27674 6 90 3 1 . . 115.832 . . 1 . 1 1 16 CYS N . . . . . . . . . . 67 . 27674 6 91 1 1 . . 42.636 . . 1 . 1 1 68 LEU CB . . . . . . . . . . 232 . 27674 6 91 2 1 . . 8.112 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 6 91 3 1 . . 122.958 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 6 92 1 1 . . 62.417 . . 1 . 1 1 69 VAL CA . . . . . . . . . . 228 . 27674 6 92 2 1 . . 8.111 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 6 92 3 1 . . 122.969 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 6 93 2 1 . . 8.112 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 6 93 3 1 . . 122.948 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 6 94 1 1 . . 32.720 . . 1 . 1 1 69 VAL CB . . . . . . . . . . 229 . 27674 6 94 2 1 . . 8.111 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 6 94 3 1 . . 122.965 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 6 95 2 1 . . 8.232 . . 1 . . . . . . . . . . . . . . . . 74 . 27674 6 95 3 1 . . 117.651 . . 1 . . . . . . . . . . . . . . . . 73 . 27674 6 96 2 1 . . 8.233 . . 1 . . . . . . . . . . . . . . . . 74 . 27674 6 96 3 1 . . 117.641 . . 1 . . . . . . . . . . . . . . . . 73 . 27674 6 97 2 1 . . 8.249 . . 1 . . . . . . . . . . . . . . . . 80 . 27674 6 97 3 1 . . 109.183 . . 1 . . . . . . . . . . . . . . . . 79 . 27674 6 98 2 1 . . 8.216 . . 1 . . . . . . . . . . . . . . . . 82 . 27674 6 98 3 1 . . 120.403 . . 1 . . . . . . . . . . . . . . . . 81 . 27674 6 99 1 1 . . 69.851 . . 1 . 1 1 67 THR CB . . . . . . . . . . 247 . 27674 6 99 2 1 . . 8.145 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 6 99 3 1 . . 125.420 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 6 100 2 1 . . 8.145 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 6 100 3 1 . . 125.413 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 6 101 1 1 . . 55.272 . . 1 . 1 1 68 LEU CA . . . . . . . . . . 231 . 27674 6 101 2 1 . . 8.145 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 6 101 3 1 . . 125.418 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 6 102 1 1 . . 42.624 . . 1 . 1 1 68 LEU CB . . . . . . . . . . 232 . 27674 6 102 2 1 . . 8.145 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 6 102 3 1 . . 125.414 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 6 103 1 1 . . 64.096 . . 1 . . . . . . . . . . . . . . . . 208 . 27674 6 104 2 3 . . 8.059 . . 1 . . . . . . . . . . . . . . . . 169 . 27674 6 104 3 3 . . 117.121 . . 1 . . . . . . . . . . . . . . . . 168 . 27674 6 105 2 2 . . 8.060 . . 1 . . . . . . . . . . . . . . . . 169 . 27674 6 105 3 2 . . 117.118 . . 1 . . . . . . . . . . . . . . . . 168 . 27674 6 106 1 1 . . 57.017 . . 1 . 1 1 66 GLU CA . . . . . . . . . . 236 . 27674 6 106 2 1 . . 8.396 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 6 106 3 1 . . 121.590 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 6 107 1 1 . . 30.361 . . 1 . 1 1 66 GLU CB . . . . . . . . . . 237 . 27674 6 107 2 1 . . 8.396 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 6 107 3 1 . . 121.599 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 6 108 1 1 . . 56.516 . . 1 . 1 1 51 LYS CA . . . . . . . . . . 292 . 27674 6 108 2 1 . . 8.189 . . 1 . 1 1 51 LYS H . . . . . . . . . . 94 . 27674 6 108 3 1 . . 120.753 . . 1 . 1 1 51 LYS N . . . . . . . . . . 93 . 27674 6 109 2 1 . . 8.190 . . 1 . 1 1 51 LYS H . . . . . . . . . . 94 . 27674 6 109 3 1 . . 120.760 . . 1 . 1 1 51 LYS N . . . . . . . . . . 93 . 27674 6 110 1 1 . . 33.076 . . 1 . 1 1 51 LYS CB . . . . . . . . . . 293 . 27674 6 110 2 1 . . 8.187 . . 1 . 1 1 51 LYS H . . . . . . . . . . 94 . 27674 6 110 3 1 . . 120.755 . . 1 . 1 1 51 LYS N . . . . . . . . . . 93 . 27674 6 111 2 1 . . 8.227 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 6 111 3 1 . . 125.580 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 6 112 2 1 . . 8.226 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 6 112 3 1 . . 125.584 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 6 113 1 1 . . 52.948 . . 1 . 1 1 23 ALA CA . . . . . . . . . . 134 . 27674 6 113 2 1 . . 8.227 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 6 113 3 1 . . 125.591 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 6 114 1 1 . . 19.387 . . 1 . 1 1 23 ALA CB . . . . . . . . . . 133 . 27674 6 114 2 1 . . 8.227 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 6 114 3 1 . . 125.592 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 6 115 2 1 . . 8.253 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 6 115 3 1 . . 122.309 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 6 116 2 1 . . 8.253 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 6 116 3 1 . . 122.301 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 6 117 1 1 . . 56.604 . . 1 . 1 1 21 ARG CA . . . . . . . . . . 137 . 27674 6 117 2 1 . . 8.253 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 6 117 3 1 . . 122.305 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 6 118 1 1 . . 30.608 . . 1 . 1 1 21 ARG CB . . . . . . . . . . 138 . 27674 6 118 2 1 . . 8.253 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 6 118 3 1 . . 122.320 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 6 119 2 1 . . 8.039 . . 1 . 1 1 37 TYR H . . . . . . . . . . 100 . 27674 6 119 3 1 . . 121.848 . . 1 . 1 1 37 TYR N . . . . . . . . . . 99 . 27674 6 120 2 1 . . 8.039 . . 1 . 1 1 37 TYR H . . . . . . . . . . 100 . 27674 6 120 3 1 . . 121.846 . . 1 . 1 1 37 TYR N . . . . . . . . . . 99 . 27674 6 121 1 1 . . 38.820 . . 1 . 1 1 37 TYR CB . . . . . . . . . . 305 . 27674 6 121 2 1 . . 8.040 . . 1 . 1 1 37 TYR H . . . . . . . . . . 100 . 27674 6 121 3 1 . . 121.847 . . 1 . 1 1 37 TYR N . . . . . . . . . . 99 . 27674 6 122 2 1 . . 8.215 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 6 122 3 1 . . 109.184 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 6 123 1 1 . . 63.428 . . 1 . 1 1 45 PRO CA . . . . . . . . . . 267 . 27674 6 123 2 1 . . 8.202 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 6 123 3 1 . . 108.974 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 6 124 1 1 . . 44.712 . . 1 . 1 1 46 GLY CA . . . . . . . . . . 266 . 27674 6 124 2 1 . . 8.201 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 6 124 3 1 . . 108.955 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 6 125 1 1 . . 32.328 . . 1 . 1 1 45 PRO CB . . . . . . . . . . 268 . 27674 6 125 2 1 . . 8.202 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 6 125 3 1 . . 108.933 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 6 126 2 1 . . 8.340 . . 1 . . . . . . . . . . . . . . . . 108 . 27674 6 126 3 1 . . 110.590 . . 1 . . . . . . . . . . . . . . . . 107 . 27674 6 127 2 1 . . 8.339 . . 1 . . . . . . . . . . . . . . . . 108 . 27674 6 127 3 1 . . 110.582 . . 1 . . . . . . . . . . . . . . . . 107 . 27674 6 128 2 1 . . 8.339 . . 1 . . . . . . . . . . . . . . . . 108 . 27674 6 128 3 1 . . 110.594 . . 1 . . . . . . . . . . . . . . . . 107 . 27674 6 129 2 1 . . 8.213 . . 1 . . . . . . . . . . . . . . . . 110 . 27674 6 129 3 1 . . 109.601 . . 1 . . . . . . . . . . . . . . . . 109 . 27674 6 130 2 1 . . 8.394 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 6 130 3 1 . . 120.698 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 6 131 2 1 . . 8.393 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 6 131 3 1 . . 120.714 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 6 132 2 1 . . 8.389 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 6 132 3 1 . . 120.709 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 6 133 2 1 . . 8.393 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 6 133 3 1 . . 120.717 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 6 134 2 1 . . 8.066 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 6 134 3 1 . . 123.715 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 6 135 2 1 . . 8.065 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 6 135 3 1 . . 123.710 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 6 136 2 1 . . 8.064 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 6 136 3 1 . . 123.716 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 6 137 1 1 . . 46.088 . . 1 . 1 1 18 GLY CA . . . . . . . . . . 164 . 27674 6 137 2 1 . . 8.495 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 6 137 3 1 . . 109.682 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 6 138 1 1 . . 63.926 . . 1 . 1 1 36 SER CB . . . . . . . . . . 260 . 27674 6 138 2 1 . . 8.126 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 6 138 3 1 . . 114.420 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 6 139 1 1 . . 58.502 . . 1 . 1 1 36 SER CA . . . . . . . . . . 261 . 27674 6 139 2 1 . . 8.125 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 6 139 3 1 . . 114.425 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 6 140 2 1 . . 8.125 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 6 140 3 1 . . 114.426 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 6 141 1 1 . . 19.260 . . 1 . 1 1 35 ALA CB . . . . . . . . . . 259 . 27674 6 141 2 1 . . 8.126 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 6 141 3 1 . . 114.427 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 6 142 1 1 . . 64.045 . . 1 . 1 1 34 SER CB . . . . . . . . . . 143 . 27674 6 142 2 1 . . 8.210 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 6 142 3 1 . . 116.504 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 6 143 1 1 . . 58.495 . . 1 . 1 1 34 SER CA . . . . . . . . . . 142 . 27674 6 143 2 1 . . 8.209 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 6 143 3 1 . . 116.510 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 6 144 2 1 . . 8.211 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 6 144 3 1 . . 116.501 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 6 145 2 1 . . 8.209 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 6 145 3 1 . . 116.502 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 6 146 2 1 . . 8.395 . . 1 . . . . . . . . . . . . . . . . 130 . 27674 6 146 3 1 . . 110.011 . . 1 . . . . . . . . . . . . . . . . 129 . 27674 6 147 1 1 . . 56.583 . . 1 . 1 1 19 GLN CA . . . . . . . . . . 160 . 27674 6 147 2 1 . . 8.209 . . 1 . 1 1 19 GLN H . . . . . . . . . . 132 . 27674 6 147 3 1 . . 119.555 . . 1 . 1 1 19 GLN N . . . . . . . . . . 131 . 27674 6 148 1 1 . . 46.081 . . 1 . 1 1 18 GLY CA . . . . . . . . . . 164 . 27674 6 148 2 1 . . 8.209 . . 1 . 1 1 19 GLN H . . . . . . . . . . 132 . 27674 6 148 3 1 . . 119.552 . . 1 . 1 1 19 GLN N . . . . . . . . . . 131 . 27674 6 149 1 1 . . 29.450 . . 1 . 1 1 19 GLN CB . . . . . . . . . . 162 . 27674 6 149 2 1 . . 8.209 . . 1 . 1 1 19 GLN H . . . . . . . . . . 132 . 27674 6 149 3 1 . . 119.549 . . 1 . 1 1 19 GLN N . . . . . . . . . . 131 . 27674 6 150 2 1 . . 7.837 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 6 150 3 1 . . 121.012 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 6 151 2 3 . . 8.344 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 6 151 3 3 . . 122.065 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 6 152 1 1 . . 57.775 . . 1 . 1 1 9 GLN CA . . . . . . . . . . 195 . 27674 6 152 2 1 . . 8.143 . . 1 . 1 1 9 GLN H . . . . . . . . . . 104 . 27674 6 152 3 1 . . 119.032 . . 1 . 1 1 9 GLN N . . . . . . . . . . 103 . 27674 6 153 1 1 . . 28.845 . . 1 . 1 1 9 GLN CB . . . . . . . . . . 196 . 27674 6 153 2 1 . . 8.143 . . 1 . 1 1 9 GLN H . . . . . . . . . . 104 . 27674 6 153 3 1 . . 119.048 . . 1 . 1 1 9 GLN N . . . . . . . . . . 103 . 27674 6 154 2 1 . . 8.397 . . 1 . . . . . . . . . . . . . . . . 130 . 27674 6 154 3 1 . . 110.065 . . 1 . . . . . . . . . . . . . . . . 129 . 27674 6 155 2 1 . . 7.367 . . 1 . . . . . . . . . . . . . . . . 30 . 27674 6 155 3 1 . . 117.563 . . 1 . . . . . . . . . . . . . . . . 29 . 27674 6 156 2 1 . . 7.370 . . 1 . . . . . . . . . . . . . . . . 30 . 27674 6 156 3 1 . . 117.475 . . 1 . . . . . . . . . . . . . . . . 29 . 27674 6 157 1 1 . . 42.300 . . 1 . 1 1 15 LEU CB . . . . . . . . . . 146 . 27674 6 157 2 1 . . 7.791 . . 1 . 1 1 15 LEU H . . . . . . . . . . 106 . 27674 6 157 3 1 . . 117.840 . . 1 . 1 1 15 LEU N . . . . . . . . . . 105 . 27674 6 158 1 1 . . 56.290 . . 1 . 1 1 15 LEU CA . . . . . . . . . . 147 . 27674 6 158 2 1 . . 7.794 . . 1 . 1 1 15 LEU H . . . . . . . . . . 106 . 27674 6 158 3 1 . . 117.860 . . 1 . 1 1 15 LEU N . . . . . . . . . . 105 . 27674 6 159 1 1 . . 33.090 . . 1 . 1 1 14 MET CB . . . . . . . . . . 149 . 27674 6 159 2 1 . . 7.960 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 6 159 3 1 . . 119.912 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 6 160 1 1 . . 57.813 . . 1 . 1 1 14 MET CA . . . . . . . . . . 148 . 27674 6 160 2 1 . . 7.964 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 6 160 3 1 . . 119.939 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 6 161 2 1 . . 7.835 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 6 161 3 1 . . 121.064 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 6 162 1 1 . . 27.895 . . 1 . 1 1 17 CYS CB . . . . . . . . . . 184 . 27674 6 162 2 1 . . 8.500 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 6 162 3 1 . . 109.759 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 6 163 1 1 . . 59.728 . . 1 . 1 1 17 CYS CA . . . . . . . . . . 183 . 27674 6 163 2 1 . . 8.493 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 6 163 3 1 . . 109.647 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 6 164 2 1 . . 8.060 . . 1 . 1 1 13 SER H . . . . . . . . . . 90 . 27674 6 164 3 1 . . 117.183 . . 1 . 1 1 13 SER N . . . . . . . . . . 89 . 27674 6 165 1 1 . . 68.898 . . 1 . 1 1 12 THR CB . . . . . . . . . . 190 . 27674 6 165 2 1 . . 8.031 . . 1 . 1 1 12 THR H . . . . . . . . . . 46 . 27674 6 165 3 1 . . 114.523 . . 1 . 1 1 12 THR N . . . . . . . . . . 45 . 27674 6 166 2 1 . . 8.027 . . 1 . 1 1 12 THR H . . . . . . . . . . 46 . 27674 6 166 3 1 . . 114.572 . . 1 . 1 1 12 THR N . . . . . . . . . . 45 . 27674 6 167 2 1 . . 8.020 . . 1 . 1 1 11 SER H . . . . . . . . . . 112 . 27674 6 167 3 1 . . 112.934 . . 1 . 1 1 11 SER N . . . . . . . . . . 111 . 27674 6 168 1 1 . . 63.627 . . 1 . 1 1 11 SER CB . . . . . . . . . . 191 . 27674 6 168 2 1 . . 8.020 . . 1 . 1 1 11 SER H . . . . . . . . . . 112 . 27674 6 168 3 1 . . 112.921 . . 1 . 1 1 11 SER N . . . . . . . . . . 111 . 27674 6 169 1 1 . . 28.699 . . 1 . 1 1 9 GLN CB . . . . . . . . . . 196 . 27674 6 169 2 1 . . 8.090 . . 1 . 1 1 10 ALA H . . . . . . . . . . 24 . 27674 6 169 3 1 . . 122.397 . . 1 . 1 1 10 ALA N . . . . . . . . . . 23 . 27674 6 170 2 1 . . 8.112 . . 1 . . . . . . . . . . . . . . . . 177 . 27674 6 170 3 1 . . 122.387 . . 1 . . . . . . . . . . . . . . . . 178 . 27674 6 171 1 1 . . 30.223 . . 1 . 1 1 8 ARG CB . . . . . . . . . . 197 . 27674 6 171 2 1 . . 8.042 . . 1 . 1 1 8 ARG H . . . . . . . . . . 72 . 27674 6 171 3 1 . . 119.628 . . 1 . 1 1 8 ARG N . . . . . . . . . . 71 . 27674 6 172 1 1 . . 38.888 . . 1 . 1 1 7 PHE CB . . . . . . . . . . 200 . 27674 6 172 2 1 . . 8.043 . . 1 . 1 1 8 ARG H . . . . . . . . . . 72 . 27674 6 172 3 1 . . 119.570 . . 1 . 1 1 8 ARG N . . . . . . . . . . 71 . 27674 6 173 1 1 . . 38.962 . . 1 . 1 1 7 PHE CB . . . . . . . . . . 200 . 27674 6 173 2 1 . . 8.004 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 6 173 3 1 . . 118.513 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 6 174 1 1 . . 29.748 . . 1 . 1 1 6 ARG CB . . . . . . . . . . 201 . 27674 6 174 2 1 . . 8.625 . . 1 . 1 1 6 ARG H . . . . . . . . . . 38 . 27674 6 174 3 1 . . 118.528 . . 1 . 1 1 6 ARG N . . . . . . . . . . 37 . 27674 6 175 1 1 . . 58.159 . . 1 . 1 1 6 ARG CA . . . . . . . . . . 202 . 27674 6 175 2 1 . . 8.630 . . 1 . 1 1 6 ARG H . . . . . . . . . . 38 . 27674 6 175 3 1 . . 118.459 . . 1 . 1 1 6 ARG N . . . . . . . . . . 37 . 27674 6 176 1 2 . . 39.749 . . 1 . 1 1 2 PHE CB . . . . . . . . . . 255 . 27674 6 176 2 1 . . 8.682 . . 1 . 1 1 2 PHE H . . . . . . . . . . 180 . 27674 6 176 3 1 . . 119.565 . . 1 . 1 1 2 PHE N . . . . . . . . . . 179 . 27674 6 177 2 1 . . 8.684 . . 1 . 1 1 2 PHE H . . . . . . . . . . 180 . 27674 6 177 3 1 . . 119.593 . . 1 . 1 1 2 PHE N . . . . . . . . . . 179 . 27674 6 178 1 1 . . 19.613 . . 1 . 1 1 1 ALA CB . . . . . . . . . . 257 . 27674 6 178 2 1 . . 8.678 . . 1 . 1 1 2 PHE H . . . . . . . . . . 180 . 27674 6 178 3 1 . . 119.571 . . 1 . 1 1 2 PHE N . . . . . . . . . . 179 . 27674 6 179 2 1 . . 7.835 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 6 179 3 1 . . 120.985 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 6 180 2 1 . . 7.638 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 6 180 3 1 . . 123.302 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 6 181 1 1 . . 42.395 . . 1 . 1 1 4 ASP CB . . . . . . . . . . 250 . 27674 6 181 2 1 . . 7.636 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 6 181 3 1 . . 123.310 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 6 182 1 1 . . 63.439 . . 1 . 1 1 13 SER CB . . . . . . . . . . 206 . 27674 6 182 2 1 . . 7.963 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 6 182 3 1 . . 119.899 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 6 183 1 1 . . 61.024 . . 1 . 1 1 13 SER CA . . . . . . . . . . 207 . 27674 6 183 2 1 . . 7.958 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 6 183 3 1 . . 119.899 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 6 184 2 1 . . 7.369 . . 1 . . . . . . . . . . . . . . . . 30 . 27674 6 184 3 1 . . 117.492 . . 1 . . . . . . . . . . . . . . . . 29 . 27674 6 185 1 1 . . 57.065 . . 1 . 1 1 3 PHE CA . . . . . . . . . . 249 . 27674 6 185 2 1 . . 7.640 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 6 185 3 1 . . 123.292 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 6 186 1 1 . . 64.048 . . 1 . 1 1 13 SER CB . . . . . . . . . . 206 . 27674 6 186 2 1 . . 8.060 . . 1 . 1 1 13 SER H . . . . . . . . . . 90 . 27674 6 186 3 1 . . 117.179 . . 1 . 1 1 13 SER N . . . . . . . . . . 89 . 27674 6 187 1 1 . . 59.561 . . 1 . 1 1 7 PHE CA . . . . . . . . . . 199 . 27674 6 187 2 1 . . 8.002 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 6 187 3 1 . . 118.583 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 6 188 1 1 . . 58.128 . . 1 . 1 1 6 ARG CA . . . . . . . . . . 202 . 27674 6 188 2 1 . . 8.002 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 6 188 3 1 . . 118.471 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 6 189 1 1 . . 29.682 . . 1 . 1 1 6 ARG CB . . . . . . . . . . 201 . 27674 6 189 2 1 . . 8.003 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 6 189 3 1 . . 118.475 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 6 190 1 1 . . 42.419 . . 1 . 1 1 71 ASP CB . . . . . . . . . . 225 . 27674 6 190 2 1 . . 7.885 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 6 190 3 1 . . 110.198 . . 1 . 1 1 71 ASP N . . . . . . . . . . 223 . 27674 6 191 1 1 . . 33.112 . . 1 . 1 1 70 VAL CB . . . . . . . . . . 245 . 27674 6 191 2 1 . . 7.885 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 6 191 3 1 . . 110.213 . . 1 . 1 1 71 ASP N . . . . . . . . . . 223 . 27674 6 192 1 1 . . 55.874 . . 1 . 1 1 71 ASP CA . . . . . . . . . . 141 . 27674 6 192 2 1 . . 7.883 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 6 192 3 1 . . 110.196 . . 1 . 1 1 71 ASP N . . . . . . . . . . 223 . 27674 6 193 1 1 . . 61.927 . . 1 . 1 1 70 VAL CA . . . . . . . . . . 224 . 27674 6 193 2 1 . . 7.885 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 6 193 3 1 . . 110.202 . . 1 . 1 1 71 ASP N . . . . . . . . . . 223 . 27674 6 194 1 1 . . 29.647 . . 1 . 1 1 65 GLN CB . . . . . . . . . . 309 . 27674 6 194 2 1 . . 8.397 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 6 194 3 1 . . 121.606 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 6 195 1 1 . . 52.262 . . 1 . 1 1 4 ASP CA . . . . . . . . . . 248 . 27674 6 195 2 1 . . 7.639 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 6 195 3 1 . . 123.293 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 6 196 2 1 . . 8.249 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 6 196 3 1 . . 120.562 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 6 197 2 2 . . 8.373 . . 1 . 1 1 50 GLY H . . . . . . . . . . 285 . 27674 6 197 3 2 . . 109.466 . . 1 . 1 1 50 GLY N . . . . . . . . . . 286 . 27674 6 198 2 1 . . 8.161 . . 1 . . . . . . . . . . . . . . . . 122 . 27674 6 198 3 1 . . 117.176 . . 1 . . . . . . . . . . . . . . . . 121 . 27674 6 stop_ save_ save_peak_list_1_2_3_4_5_6_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7 _Spectral_peak_list.Entry_ID 27674 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name 'CBCACONH (H[N[co[{CA|ca[C]}]]])' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _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 . . C 13 13C . . 9683.30859375 . . . . . . . 27674 7 2 . . H 1 1H . . 4208.75390625 . . . . . . . 27674 7 3 . . N 15 15N . . 1362.31396484 . . . . . . . 27674 7 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27674 7 2 1.0 . . 27674 7 3 1.0 . . 27674 7 4 1.0 . . 27674 7 5 1.0 . . 27674 7 6 1.0 . . 27674 7 7 1.0 . . 27674 7 8 1.0 . . 27674 7 9 1.0 . . 27674 7 10 1.0 . . 27674 7 11 1.0 . . 27674 7 12 1.0 . . 27674 7 13 1.0 . . 27674 7 14 1.0 . . 27674 7 15 1.0 . . 27674 7 16 1.0 . . 27674 7 17 1.0 . . 27674 7 18 1.0 . . 27674 7 19 1.0 . . 27674 7 20 1.0 . . 27674 7 21 1.0 . . 27674 7 22 1.0 . . 27674 7 23 1.0 . . 27674 7 24 1.0 . . 27674 7 25 1.0 . . 27674 7 26 1.0 . . 27674 7 27 1.0 . . 27674 7 28 1.0 . . 27674 7 29 1.0 . . 27674 7 30 1.0 . . 27674 7 31 1.0 . . 27674 7 32 1.0 . . 27674 7 33 1.0 . . 27674 7 34 1.0 . . 27674 7 35 1.0 . . 27674 7 36 1.0 . . 27674 7 37 1.0 . . 27674 7 38 1.0 . . 27674 7 39 1.0 . . 27674 7 40 1.0 . . 27674 7 41 1.0 . . 27674 7 42 1.0 . . 27674 7 43 1.0 . . 27674 7 44 1.0 . . 27674 7 45 1.0 . . 27674 7 46 1.0 . . 27674 7 47 1.0 . . 27674 7 48 1.0 . . 27674 7 49 1.0 . . 27674 7 50 1.0 . . 27674 7 51 1.0 . . 27674 7 52 1.0 . . 27674 7 53 1.0 . . 27674 7 54 1.0 . . 27674 7 55 1.0 . . 27674 7 56 1.0 . . 27674 7 57 1.0 . . 27674 7 58 1.0 . . 27674 7 59 1.0 . . 27674 7 60 1.0 . . 27674 7 61 1.0 . . 27674 7 62 1.0 . . 27674 7 63 1.0 . . 27674 7 64 1.0 . . 27674 7 65 1.0 . . 27674 7 66 1.0 . . 27674 7 67 1.0 . . 27674 7 68 1.0 . . 27674 7 69 1.0 . . 27674 7 70 1.0 . . 27674 7 71 1.0 . . 27674 7 72 1.0 . . 27674 7 73 1.0 . . 27674 7 74 1.0 . . 27674 7 75 1.0 . . 27674 7 76 1.0 . . 27674 7 77 1.0 . . 27674 7 78 1.0 . . 27674 7 79 1.0 . . 27674 7 80 1.0 . . 27674 7 81 1.0 . . 27674 7 82 1.0 . . 27674 7 83 1.0 . . 27674 7 84 1.0 . . 27674 7 85 1.0 . . 27674 7 86 1.0 . . 27674 7 87 1.0 . . 27674 7 88 1.0 . . 27674 7 89 1.0 . . 27674 7 90 1.0 . . 27674 7 91 1.0 . . 27674 7 92 1.0 . . 27674 7 93 1.0 . . 27674 7 94 1.0 . . 27674 7 95 1.0 . . 27674 7 96 1.0 . . 27674 7 97 1.0 . . 27674 7 98 1.0 . . 27674 7 99 1.0 . . 27674 7 100 1.0 . . 27674 7 101 1.0 . . 27674 7 102 1.0 . . 27674 7 103 1.0 . . 27674 7 104 1.0 . . 27674 7 105 1.0 . . 27674 7 106 1.0 . . 27674 7 107 1.0 . . 27674 7 108 1.0 . . 27674 7 109 1.0 . . 27674 7 110 1.0 . . 27674 7 111 1.0 . . 27674 7 112 1.0 . . 27674 7 113 1.0 . . 27674 7 114 1.0 . . 27674 7 115 1.0 . . 27674 7 116 1.0 . . 27674 7 117 1.0 . . 27674 7 118 1.0 . . 27674 7 119 1.0 . . 27674 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 580480896.000 . height 27674 7 1 6193763062.000 . volume 27674 7 2 560686208.000 . height 27674 7 2 5779902042.000 . volume 27674 7 3 341433600.000 . height 27674 7 3 3596128056.000 . volume 27674 7 4 321419456.000 . height 27674 7 4 3485760680.000 . volume 27674 7 5 503365824.000 . height 27674 7 5 5311948402.120 . volume 27674 7 6 618555776.000 . height 27674 7 6 7039827784.000 . volume 27674 7 7 226201888.000 . height 27674 7 7 2557698093.000 . volume 27674 7 8 213266400.000 . height 27674 7 8 2398214200.000 . volume 27674 7 9 143358816.000 . height 27674 7 9 1484246390.000 . volume 27674 7 10 155425984.000 . height 27674 7 10 1665034651.000 . volume 27674 7 11 785783168.000 . height 27674 7 11 8038696888.000 . volume 27674 7 12 582029824.000 . height 27674 7 12 6304869356.000 . volume 27674 7 13 1501139968.000 . height 27674 7 13 15224227952.000 . volume 27674 7 14 811176704.000 . height 27674 7 14 7830441942.000 . volume 27674 7 15 583834560.000 . height 27674 7 15 5486098725.000 . volume 27674 7 16 179282624.000 . height 27674 7 16 1825467564.000 . volume 27674 7 17 130783680.000 . height 27674 7 17 1480597449.000 . volume 27674 7 18 352779584.000 . height 27674 7 18 4078676206.000 . volume 27674 7 19 48728448.000 . height 27674 7 19 595716563.000 . volume 27674 7 20 47302304.000 . height 27674 7 20 539979606.000 . volume 27674 7 21 266379536.000 . height 27674 7 21 2639313166.000 . volume 27674 7 22 357856320.000 . height 27674 7 22 3629865112.000 . volume 27674 7 23 357201472.000 . height 27674 7 23 3896738472.000 . volume 27674 7 24 296520960.000 . height 27674 7 24 3104557292.000 . volume 27674 7 25 440231040.000 . height 27674 7 25 4747170184.000 . volume 27674 7 26 290018496.000 . height 27674 7 26 3035874872.000 . volume 27674 7 27 274836416.000 . height 27674 7 27 3026434778.000 . volume 27674 7 28 205713728.000 . height 27674 7 28 2207533768.000 . volume 27674 7 29 184058272.000 . height 27674 7 29 2194867618.000 . volume 27674 7 30 115386272.000 . height 27674 7 30 1285256148.310 . volume 27674 7 31 93945632.000 . height 27674 7 31 935795107.750 . volume 27674 7 32 381303104.000 . height 27674 7 32 4089022307.000 . volume 27674 7 33 414635200.000 . height 27674 7 33 4448480832.000 . volume 27674 7 34 2141445632.000 . height 27674 7 34 20612437736.000 . volume 27674 7 35 205057024.000 . height 27674 7 35 2364568565.500 . volume 27674 7 36 383835776.000 . height 27674 7 36 4864221672.000 . volume 27674 7 37 254841584.000 . height 27674 7 37 2649698350.000 . volume 27674 7 38 178354496.000 . height 27674 7 38 1944279124.000 . volume 27674 7 39 47992692.000 . height 27674 7 39 586847392.312 . volume 27674 7 40 47530976.000 . height 27674 7 40 569021796.000 . volume 27674 7 41 1320024192.000 . height 27674 7 41 13700536040.000 . volume 27674 7 42 516981120.000 . height 27674 7 42 5613703874.000 . volume 27674 7 43 286264352.000 . height 27674 7 43 3410415712.500 . volume 27674 7 44 233508768.000 . height 27674 7 44 2339381686.000 . volume 27674 7 45 756790016.000 . height 27674 7 45 7875045440.000 . volume 27674 7 46 587678848.000 . height 27674 7 46 7026724348.000 . volume 27674 7 47 301223040.000 . height 27674 7 47 3011350324.000 . volume 27674 7 48 249479920.000 . height 27674 7 48 2527071571.000 . volume 27674 7 49 670051584.000 . height 27674 7 49 6416875960.000 . volume 27674 7 50 449524416.000 . height 27674 7 50 4865570514.000 . volume 27674 7 51 65781932.000 . height 27674 7 51 647714839.000 . volume 27674 7 52 105315056.000 . height 27674 7 52 1052355936.000 . volume 27674 7 53 238969024.000 . height 27674 7 53 2858503474.690 . volume 27674 7 54 283508800.000 . height 27674 7 54 3239569590.000 . volume 27674 7 55 1227446400.000 . height 27674 7 55 12832405260.000 . volume 27674 7 56 590303168.000 . height 27674 7 56 6933339615.060 . volume 27674 7 57 450031424.000 . height 27674 7 57 5117354017.690 . volume 27674 7 58 75452352.000 . height 27674 7 58 750025251.000 . volume 27674 7 59 59958976.000 . height 27674 7 59 640831831.000 . volume 27674 7 60 704812800.000 . height 27674 7 60 8150311868.000 . volume 27674 7 61 651774848.000 . height 27674 7 61 6886925767.000 . volume 27674 7 62 212402832.000 . height 27674 7 62 2579190781.000 . volume 27674 7 63 141005728.000 . height 27674 7 63 1855743433.000 . volume 27674 7 64 800385664.000 . height 27674 7 64 7572203928.000 . volume 27674 7 65 68123424.000 . height 27674 7 65 859577997.750 . volume 27674 7 66 56491420.000 . height 27674 7 66 652815986.000 . volume 27674 7 67 56089712.000 . height 27674 7 67 673027498.000 . volume 27674 7 68 47829188.000 . height 27674 7 68 571391771.500 . volume 27674 7 69 471814080.000 . height 27674 7 69 5018097978.380 . volume 27674 7 70 659737088.000 . height 27674 7 70 6880801033.000 . volume 27674 7 71 663514112.000 . height 27674 7 71 6596276688.000 . volume 27674 7 72 607075648.000 . height 27674 7 72 6109397864.000 . volume 27674 7 73 1017594496.000 . height 27674 7 73 10368808288.000 . volume 27674 7 74 581602176.000 . height 27674 7 74 5613167576.000 . volume 27674 7 75 428891040.000 . height 27674 7 75 4143338612.000 . volume 27674 7 76 197558864.000 . height 27674 7 76 2426419618.000 . volume 27674 7 77 358010112.000 . height 27674 7 77 3674642601.000 . volume 27674 7 78 561429504.000 . height 27674 7 78 6194438118.500 . volume 27674 7 79 454104064.000 . height 27674 7 79 4798706614.000 . volume 27674 7 80 505339008.000 . height 27674 7 80 5982569098.440 . volume 27674 7 81 407076352.000 . height 27674 7 81 4041341101.500 . volume 27674 7 82 63510648.000 . height 27674 7 82 695576596.000 . volume 27674 7 83 501203008.000 . height 27674 7 83 5488421028.000 . volume 27674 7 84 368846240.000 . height 27674 7 84 3962731636.000 . volume 27674 7 85 62763624.000 . height 27674 7 85 697641640.062 . volume 27674 7 86 103820016.000 . height 27674 7 86 1086972754.500 . volume 27674 7 87 635122368.000 . height 27674 7 87 6756887730.000 . volume 27674 7 88 1695720960.000 . height 27674 7 88 17098106496.000 . volume 27674 7 89 601823744.000 . height 27674 7 89 5704055724.000 . volume 27674 7 90 828618880.000 . height 27674 7 90 9002275498.000 . volume 27674 7 91 595431104.000 . height 27674 7 91 6557341130.000 . volume 27674 7 92 156911008.000 . height 27674 7 92 1799002840.000 . volume 27674 7 93 206643280.000 . height 27674 7 93 2264442106.000 . volume 27674 7 94 48530696.000 . height 27674 7 94 548530158.250 . volume 27674 7 95 62731444.000 . height 27674 7 95 677717125.250 . volume 27674 7 96 526357952.000 . height 27674 7 96 5149252596.000 . volume 27674 7 97 624765312.000 . height 27674 7 97 6253777360.000 . volume 27674 7 98 313566208.000 . height 27674 7 98 3926574265.500 . volume 27674 7 99 324666048.000 . height 27674 7 99 4007846106.000 . volume 27674 7 100 58017468.000 . height 27674 7 100 692716870.281 . volume 27674 7 101 443904576.000 . height 27674 7 101 4827978276.000 . volume 27674 7 102 32631678.000 . height 27674 7 102 368586235.250 . volume 27674 7 103 30543904.000 . height 27674 7 103 342209376.438 . volume 27674 7 104 42722400.000 . height 27674 7 104 487702946.250 . volume 27674 7 105 12391743.000 . height 27674 7 105 164206286.812 . volume 27674 7 106 27918032.000 . height 27674 7 106 296510905.250 . volume 27674 7 107 67076140.000 . height 27674 7 107 739403787.500 . volume 27674 7 108 26532038.000 . height 27674 7 108 289304412.562 . volume 27674 7 109 19472212.000 . height 27674 7 109 209287736.000 . volume 27674 7 110 20605706.000 . height 27674 7 110 262651323.250 . volume 27674 7 111 13231322.000 . height 27674 7 111 178946531.375 . volume 27674 7 112 23856216.000 . height 27674 7 112 275406225.375 . volume 27674 7 113 39893972.000 . height 27674 7 113 495712013.250 . volume 27674 7 114 15191816.000 . height 27674 7 114 204432988.000 . volume 27674 7 115 27369748.000 . height 27674 7 115 323798064.000 . volume 27674 7 116 583997120.000 . height 27674 7 116 6789794874.000 . volume 27674 7 117 1299677440.000 . height 27674 7 117 15246532480.000 . volume 27674 7 118 223595520.000 . height 27674 7 118 2359505796.000 . volume 27674 7 119 213681088.000 . height 27674 7 119 2112290171.750 . volume 27674 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 56.030 . 65.6963944843 . . . . . . . . . . . 27674 7 1 2 8.212 . 19.6158470479 . . . . . . . . . . . 27674 7 1 3 110.009 . 25.0422351999 . . . . . . . . . . . 27674 7 2 1 29.838 . 59.9420078995 . . . . . . . . . . . 27674 7 2 2 8.212 . 20.0278867028 . . . . . . . . . . . 27674 7 2 3 110.007 . 24.9179176326 . . . . . . . . . . . 27674 7 3 1 56.515 . 58.1654781194 . . . . . . . . . . . 27674 7 3 2 8.494 . 21.4585485914 . . . . . . . . . . . 27674 7 3 3 109.956 . 25.6557030127 . . . . . . . . . . . 27674 7 4 1 33.106 . 61.0288193277 . . . . . . . . . . . 27674 7 4 2 8.494 . 21.7571989470 . . . . . . . . . . . 27674 7 4 3 109.957 . 25.8410019603 . . . . . . . . . . . 27674 7 5 1 53.013 . 67.3831743031 . . . . . . . . . . . 27674 7 5 2 8.309 . 19.1392106130 . . . . . . . . . . . 27674 7 5 3 107.488 . 24.3151682514 . . . . . . . . . . . 27674 7 6 1 19.378 . 68.5810909888 . . . . . . . . . . . 27674 7 6 2 8.309 . 19.0019894920 . . . . . . . . . . . 27674 7 6 3 107.490 . 24.9508849300 . . . . . . . . . . . 27674 7 7 1 56.660 . 70.7961258048 . . . . . . . . . . . 27674 7 7 2 8.300 . 18.0790708372 . . . . . . . . . . . 27674 7 7 3 115.883 . 24.9445513113 . . . . . . . . . . . 27674 7 8 1 29.471 . 66.7941721457 . . . . . . . . . . . 27674 7 8 2 8.301 . 18.1994842524 . . . . . . . . . . . 27674 7 8 3 115.874 . 25.3635445494 . . . . . . . . . . . 27674 7 9 1 59.321 . 61.4953171168 . . . . . . . . . . . 27674 7 9 2 7.603 . 18.8474589426 . . . . . . . . . . . 27674 7 9 3 117.194 . 23.9597142011 . . . . . . . . . . . 27674 7 10 1 39.778 . 64.3365815661 . . . . . . . . . . . 27674 7 10 2 7.603 . 19.6108298223 . . . . . . . . . . . 27674 7 10 3 117.192 . 24.4969755887 . . . . . . . . . . . 27674 7 11 1 57.114 . 64.3937214129 . . . . . . . . . . . 27674 7 11 2 8.086 . 17.4650878507 . . . . . . . . . . . 27674 7 11 3 115.358 . 23.9090858515 . . . . . . . . . . . 27674 7 12 1 30.412 . 74.8832120639 . . . . . . . . . . . 27674 7 12 2 8.086 . 17.5353290095 . . . . . . . . . . . 27674 7 12 3 115.359 . 23.4637025353 . . . . . . . . . . . 27674 7 13 1 45.588 . 65.3607700310 . . . . . . . . . . . 27674 7 13 2 8.242 . 19.8433782302 . . . . . . . . . . . 27674 7 13 3 108.737 . 23.6226926052 . . . . . . . . . . . 27674 7 14 1 63.422 . 64.9743546029 . . . . . . . . . . . 27674 7 14 2 8.032 . 15.5320762459 . . . . . . . . . . . 27674 7 14 3 120.158 . 23.7448989663 . . . . . . . . . . . 27674 7 15 1 31.968 . 64.6390187347 . . . . . . . . . . . 27674 7 15 2 8.033 . 15.6873593791 . . . . . . . . . . . 27674 7 15 3 120.159 . 23.4516848998 . . . . . . . . . . . 27674 7 16 1 27.732 . 58.2716774305 . . . . . . . . . . . 27674 7 16 2 8.106 . 18.4642683350 . . . . . . . . . . . 27674 7 16 3 119.101 . 25.3072321830 . . . . . . . . . . . 27674 7 17 1 59.571 . 70.9446028308 . . . . . . . . . . . 27674 7 17 2 8.106 . 18.2891671605 . . . . . . . . . . . 27674 7 17 3 119.108 . 24.3341691076 . . . . . . . . . . . 27674 7 18 1 55.789 . 71.8902961527 . . . . . . . . . . . 27674 7 18 2 8.370 . 18.9133100290 . . . . . . . . . . . 27674 7 18 3 109.465 . 24.2393272273 . . . . . . . . . . . 27674 7 19 1 57.769 . 69.9393166890 . . . . . . . . . . . 27674 7 19 2 8.091 . 15.6756943295 . . . . . . . . . . . 27674 7 19 3 122.405 . 28.4807811608 . . . . . . . . . . . 27674 7 20 1 28.795 . 59.8208021640 . . . . . . . . . . . 27674 7 20 2 8.091 . 17.6606342196 . . . . . . . . . . . 27674 7 20 3 122.410 . 27.1750204023 . . . . . . . . . . . 27674 7 21 1 58.232 . 56.0111904637 . . . . . . . . . . . 27674 7 21 2 8.115 . 21.3789001345 . . . . . . . . . . . 27674 7 21 3 116.968 . 23.2443400871 . . . . . . . . . . . 27674 7 22 1 38.882 . 56.0224452820 . . . . . . . . . . . 27674 7 22 2 8.116 . 21.2262510447 . . . . . . . . . . . 27674 7 22 3 116.967 . 23.9637742131 . . . . . . . . . . . 27674 7 23 1 64.001 . 59.3211892365 . . . . . . . . . . . 27674 7 23 2 8.434 . 23.2248628746 . . . . . . . . . . . 27674 7 23 3 122.029 . 25.8994864331 . . . . . . . . . . . 27674 7 24 1 55.845 . 58.8567836893 . . . . . . . . . . . 27674 7 24 2 8.425 . 17.4172987766 . . . . . . . . . . . 27674 7 24 3 122.097 . 23.2375801672 . . . . . . . . . . . 27674 7 25 1 29.893 . 64.1368806877 . . . . . . . . . . . 27674 7 25 2 8.425 . 19.1665544927 . . . . . . . . . . . 27674 7 25 3 122.089 . 24.7720211014 . . . . . . . . . . . 27674 7 26 1 58.644 . 55.7907114591 . . . . . . . . . . . 27674 7 26 2 8.436 . 20.6912893618 . . . . . . . . . . . 27674 7 26 3 122.000 . 24.1293618024 . . . . . . . . . . . 27674 7 27 1 63.997 . 62.8083071049 . . . . . . . . . . . 27674 7 27 2 8.309 . 21.3010077066 . . . . . . . . . . . 27674 7 27 3 110.130 . 27.0793868197 . . . . . . . . . . . 27674 7 28 1 58.857 . 57.3738892326 . . . . . . . . . . . 27674 7 28 2 8.310 . 21.5270337212 . . . . . . . . . . . 27674 7 28 3 110.133 . 26.8660737894 . . . . . . . . . . . 27674 7 29 1 61.941 . 71.5027263842 . . . . . . . . . . . 27674 7 29 2 8.289 . 20.8557289318 . . . . . . . . . . . 27674 7 29 3 117.697 . 25.0172255260 . . . . . . . . . . . 27674 7 30 1 64.298 . 69.8523804323 . . . . . . . . . . . 27674 7 30 2 7.836 . 17.0386236721 . . . . . . . . . . . 27674 7 30 3 121.030 . 24.7348922917 . . . . . . . . . . . 27674 7 31 1 58.223 . 60.9412337546 . . . . . . . . . . . 27674 7 31 2 7.836 . 16.9486899027 . . . . . . . . . . . 27674 7 31 3 121.064 . 24.0267043990 . . . . . . . . . . . 27674 7 32 1 29.400 . 62.0879265878 . . . . . . . . . . . 27674 7 32 2 8.253 . 18.7102378216 . . . . . . . . . . . 27674 7 32 3 120.840 . 26.3211389791 . . . . . . . . . . . 27674 7 33 1 56.094 . 58.5498734519 . . . . . . . . . . . 27674 7 33 2 8.254 . 18.5612262203 . . . . . . . . . . . 27674 7 33 3 120.821 . 26.5385526215 . . . . . . . . . . . 27674 7 34 1 45.575 . 60.5621772461 . . . . . . . . . . . 27674 7 34 2 8.221 . 18.7915168768 . . . . . . . . . . . 27674 7 34 3 120.768 . 23.3660998469 . . . . . . . . . . . 27674 7 35 1 53.539 . 66.8054269640 . . . . . . . . . . . 27674 7 35 2 8.239 . 21.1255302401 . . . . . . . . . . . 27674 7 35 3 120.531 . 27.4332980655 . . . . . . . . . . . 27674 7 36 1 38.750 . 72.3430861502 . . . . . . . . . . . 27674 7 36 2 8.241 . 23.6298784136 . . . . . . . . . . . 27674 7 36 3 120.534 . 28.6731039291 . . . . . . . . . . . 27674 7 37 1 64.029 . 54.8442966745 . . . . . . . . . . . 27674 7 37 2 8.354 . 24.4090535541 . . . . . . . . . . . 27674 7 37 3 117.507 . 25.0033808851 . . . . . . . . . . . 27674 7 38 1 58.634 . 60.3476142358 . . . . . . . . . . . 27674 7 38 2 8.355 . 26.5266990621 . . . . . . . . . . . 27674 7 38 3 117.509 . 24.7818260304 . . . . . . . . . . . 27674 7 39 1 63.714 . 72.2338566958 . . . . . . . . . . . 27674 7 39 2 8.031 . 18.4770622604 . . . . . . . . . . . 27674 7 39 3 114.560 . 25.9658067291 . . . . . . . . . . . 27674 7 40 1 60.777 . 67.6036533077 . . . . . . . . . . . 27674 7 40 2 8.029 . 19.0621961995 . . . . . . . . . . . 27674 7 40 3 114.567 . 25.0325723714 . . . . . . . . . . . 27674 7 41 1 62.485 . 62.9245347477 . . . . . . . . . . . 27674 7 41 2 8.184 . 18.5146914526 . . . . . . . . . . . 27674 7 41 3 124.308 . 23.8025714367 . . . . . . . . . . . 27674 7 42 1 32.796 . 71.8813500151 . . . . . . . . . . . 27674 7 42 2 8.183 . 18.5981028287 . . . . . . . . . . . 27674 7 42 3 124.306 . 23.8091486561 . . . . . . . . . . . 27674 7 43 1 63.515 . 73.1600705244 . . . . . . . . . . . 27674 7 43 2 8.514 . 20.8197303379 . . . . . . . . . . . 27674 7 43 3 118.221 . 24.2671383095 . . . . . . . . . . . 27674 7 44 1 32.206 . 58.2676372393 . . . . . . . . . . . 27674 7 44 2 8.515 . 22.0024158497 . . . . . . . . . . . 27674 7 44 3 118.224 . 23.8659279239 . . . . . . . . . . . 27674 7 45 1 56.934 . 58.8472603815 . . . . . . . . . . . 27674 7 45 2 8.347 . 19.2926122866 . . . . . . . . . . . 27674 7 45 3 122.032 . 24.2381092237 . . . . . . . . . . . 27674 7 46 1 30.366 . 72.9860537185 . . . . . . . . . . . 27674 7 46 2 8.343 . 20.2946776757 . . . . . . . . . . . 27674 7 46 3 122.082 . 24.2274516922 . . . . . . . . . . . 27674 7 47 1 56.682 . 62.9487758948 . . . . . . . . . . . 27674 7 47 2 8.177 . 17.8219380237 . . . . . . . . . . . 27674 7 47 3 115.639 . 24.3718460189 . . . . . . . . . . . 27674 7 48 1 30.672 . 67.2697603649 . . . . . . . . . . . 27674 7 48 2 8.177 . 18.2625758647 . . . . . . . . . . . 27674 7 48 3 115.644 . 24.7656671827 . . . . . . . . . . . 27674 7 49 1 64.031 . 55.7287378122 . . . . . . . . . . . 27674 7 49 2 8.277 . 18.7022102606 . . . . . . . . . . . 27674 7 49 3 125.838 . 23.7224927751 . . . . . . . . . . . 27674 7 50 1 58.589 . 70.3482417537 . . . . . . . . . . . 27674 7 50 2 8.277 . 19.0221838251 . . . . . . . . . . . 27674 7 50 3 125.837 . 23.3697284827 . . . . . . . . . . . 27674 7 51 1 57.155 . 55.2177257739 . . . . . . . . . . . 27674 7 51 2 7.640 . 19.8411204787 . . . . . . . . . . . 27674 7 51 3 123.281 . 23.9260770017 . . . . . . . . . . . 27674 7 52 1 39.720 . 58.7362994165 . . . . . . . . . . . 27674 7 52 2 7.640 . 18.7160076310 . . . . . . . . . . . 27674 7 52 3 123.282 . 24.8168030338 . . . . . . . . . . . 27674 7 53 1 33.216 . 73.1441983448 . . . . . . . . . . . 27674 7 53 2 8.245 . 20.3714412278 . . . . . . . . . . . 27674 7 53 3 116.924 . 26.0323503257 . . . . . . . . . . . 27674 7 54 1 56.470 . 65.7489169696 . . . . . . . . . . . 27674 7 54 2 8.245 . 19.1491196336 . . . . . . . . . . . 27674 7 54 3 116.911 . 27.4023201740 . . . . . . . . . . . 27674 7 55 1 45.724 . 65.6923542931 . . . . . . . . . . . 27674 7 55 2 7.975 . 18.8746773916 . . . . . . . . . . . 27674 7 55 3 112.829 . 23.5143714851 . . . . . . . . . . . 27674 7 56 1 64.142 . 75.3841957706 . . . . . . . . . . . 27674 7 56 2 8.319 . 18.8134672389 . . . . . . . . . . . 27674 7 56 3 122.243 . 24.4911900716 . . . . . . . . . . . 27674 7 57 1 58.093 . 74.0057691145 . . . . . . . . . . . 27674 7 57 2 8.319 . 18.5304957133 . . . . . . . . . . . 27674 7 57 3 122.243 . 23.3648412432 . . . . . . . . . . . 27674 7 58 1 56.296 . 54.6565720771 . . . . . . . . . . . 27674 7 58 2 7.880 . 17.2138502772 . . . . . . . . . . . 27674 7 58 3 115.813 . 25.4453131910 . . . . . . . . . . . 27674 7 59 1 42.317 . 59.9567257388 . . . . . . . . . . . 27674 7 59 2 7.880 . 17.8817684393 . . . . . . . . . . . 27674 7 59 3 115.814 . 24.7501579368 . . . . . . . . . . . 27674 7 60 1 55.357 . 71.7058902837 . . . . . . . . . . . 27674 7 60 2 8.111 . 17.4663421571 . . . . . . . . . . . 27674 7 60 3 122.945 . 24.3533120641 . . . . . . . . . . . 27674 7 61 1 42.707 . 67.0414895631 . . . . . . . . . . . 27674 7 61 2 8.111 . 17.4885433805 . . . . . . . . . . . 27674 7 61 3 122.945 . 24.0595701961 . . . . . . . . . . . 27674 7 62 1 64.078 . 67.7136763711 . . . . . . . . . . . 27674 7 62 2 8.230 . 22.9440236699 . . . . . . . . . . . 27674 7 62 3 117.650 . 28.9461397360 . . . . . . . . . . . 27674 7 63 1 58.352 . 73.8528190198 . . . . . . . . . . . 27674 7 63 2 8.231 . 22.7257743550 . . . . . . . . . . . 27674 7 63 3 117.642 . 27.4437322963 . . . . . . . . . . . 27674 7 64 1 62.080 . 56.3947200410 . . . . . . . . . . . 27674 7 64 2 8.145 . 16.9182102570 . . . . . . . . . . . 27674 7 64 3 125.411 . 23.4723300608 . . . . . . . . . . . 27674 7 65 1 63.442 . 71.8457097571 . . . . . . . . . . . 27674 7 65 2 7.962 . 22.6868908564 . . . . . . . . . . . 27674 7 65 3 119.927 . 27.9903317116 . . . . . . . . . . . 27674 7 66 1 61.023 . 64.1227400185 . . . . . . . . . . . 27674 7 66 2 7.962 . 17.3040349080 . . . . . . . . . . . 27674 7 66 3 119.897 . 24.6998137881 . . . . . . . . . . . 27674 7 67 1 68.991 . 71.0598023892 . . . . . . . . . . . 27674 7 67 2 8.060 . 17.7113081985 . . . . . . . . . . . 27674 7 67 3 117.223 . 23.4226964142 . . . . . . . . . . . 27674 7 68 1 64.955 . 77.0860541601 . . . . . . . . . . . 27674 7 68 2 8.062 . 19.9674291339 . . . . . . . . . . . 27674 7 68 3 117.217 . 23.1267621397 . . . . . . . . . . . 27674 7 69 1 58.158 . 69.3503145315 . . . . . . . . . . . 27674 7 69 2 8.059 . 18.2910486201 . . . . . . . . . . . 27674 7 69 3 117.115 . 23.4820537896 . . . . . . . . . . . 27674 7 70 1 38.826 . 69.4514636036 . . . . . . . . . . . 27674 7 70 2 8.060 . 18.0242576472 . . . . . . . . . . . 27674 7 70 3 117.113 . 23.8302810186 . . . . . . . . . . . 27674 7 71 1 56.268 . 57.4200628462 . . . . . . . . . . . 27674 7 71 2 8.396 . 16.2050116336 . . . . . . . . . . . 27674 7 71 3 121.595 . 24.8518612374 . . . . . . . . . . . 27674 7 72 1 29.617 . 60.1930769230 . . . . . . . . . . . 27674 7 72 2 8.396 . 16.1411674374 . . . . . . . . . . . 27674 7 72 3 121.592 . 25.1599552478 . . . . . . . . . . . 27674 7 73 1 45.563 . 58.5360213679 . . . . . . . . . . . 27674 7 73 2 8.190 . 45.4306017930 . . . . . . . . . . . 27674 7 73 3 120.758 . 23.6795733732 . . . . . . . . . . . 27674 7 74 1 64.018 . 55.2796272745 . . . . . . . . . . . 27674 7 74 2 8.227 . 17.1196518660 . . . . . . . . . . . 27674 7 74 3 125.587 . 24.1850651670 . . . . . . . . . . . 27674 7 75 1 58.665 . 56.4146324118 . . . . . . . . . . . 27674 7 75 2 8.227 . 17.6125942842 . . . . . . . . . . . 27674 7 75 3 125.586 . 23.8066289112 . . . . . . . . . . . 27674 7 76 1 59.164 . 73.3212452941 . . . . . . . . . . . 27674 7 76 2 8.252 . 19.5655493609 . . . . . . . . . . . 27674 7 76 3 122.326 . 25.2405261859 . . . . . . . . . . . 27674 7 77 1 63.781 . 60.3303712770 . . . . . . . . . . . 27674 7 77 2 8.253 . 18.9619771176 . . . . . . . . . . . 27674 7 77 3 122.311 . 24.5843673469 . . . . . . . . . . . 27674 7 78 1 63.956 . 70.4140391530 . . . . . . . . . . . 27674 7 78 2 8.040 . 19.1946509562 . . . . . . . . . . . 27674 7 78 3 121.844 . 24.0329974176 . . . . . . . . . . . 27674 7 79 1 58.610 . 65.8917665865 . . . . . . . . . . . 27674 7 79 2 8.041 . 19.2163504570 . . . . . . . . . . . 27674 7 79 3 121.848 . 23.8256729050 . . . . . . . . . . . 27674 7 80 1 63.495 . 74.3975233667 . . . . . . . . . . . 27674 7 80 2 8.202 . 16.7490043226 . . . . . . . . . . . 27674 7 80 3 108.937 . 24.4650638944 . . . . . . . . . . . 27674 7 81 1 32.390 . 66.7780113809 . . . . . . . . . . . 27674 7 81 2 8.202 . 16.8798284809 . . . . . . . . . . . 27674 7 81 3 108.940 . 23.4620785305 . . . . . . . . . . . 27674 7 82 1 57.764 . 61.9629692462 . . . . . . . . . . . 27674 7 82 2 7.794 . 18.6307147953 . . . . . . . . . . . 27674 7 82 3 117.842 . 26.2363659286 . . . . . . . . . . . 27674 7 83 1 64.006 . 58.7961086753 . . . . . . . . . . . 27674 7 83 2 8.339 . 19.8653285924 . . . . . . . . . . . 27674 7 83 3 110.584 . 27.9289849303 . . . . . . . . . . . 27674 7 84 1 58.862 . 55.8009562296 . . . . . . . . . . . 27674 7 84 2 8.340 . 20.0048074649 . . . . . . . . . . . 27674 7 84 3 110.584 . 27.4883112281 . . . . . . . . . . . 27674 7 85 1 54.283 . 71.2028864814 . . . . . . . . . . . 27674 7 85 2 8.020 . 17.2817082539 . . . . . . . . . . . 27674 7 85 3 112.948 . 23.9679560254 . . . . . . . . . . . 27674 7 86 1 19.085 . 64.4347004949 . . . . . . . . . . . 27674 7 86 2 8.019 . 18.8902307911 . . . . . . . . . . . 27674 7 86 3 112.933 . 25.3562365278 . . . . . . . . . . . 27674 7 87 1 57.106 . 67.2735119710 . . . . . . . . . . . 27674 7 87 2 8.391 . 17.3192120155 . . . . . . . . . . . 27674 7 87 3 120.707 . 23.9568315925 . . . . . . . . . . . 27674 7 88 1 45.529 . 59.7021936943 . . . . . . . . . . . 27674 7 88 2 8.393 . 17.3932160935 . . . . . . . . . . . 27674 7 88 3 120.704 . 24.1604411942 . . . . . . . . . . . 27674 7 89 1 30.263 . 59.0069922258 . . . . . . . . . . . 27674 7 89 2 8.391 . 17.6745570208 . . . . . . . . . . . 27674 7 89 3 120.716 . 23.4281368302 . . . . . . . . . . . 27674 7 90 1 63.966 . 68.8446413172 . . . . . . . . . . . 27674 7 90 2 8.065 . 18.2787564173 . . . . . . . . . . . 27674 7 90 3 123.706 . 23.8161217267 . . . . . . . . . . . 27674 7 91 1 58.291 . 70.6265820677 . . . . . . . . . . . 27674 7 91 2 8.065 . 18.5266073635 . . . . . . . . . . . 27674 7 91 3 123.709 . 23.5620664760 . . . . . . . . . . . 27674 7 92 1 59.754 . 63.1587215438 . . . . . . . . . . . 27674 7 92 2 8.496 . 18.1550818055 . . . . . . . . . . . 27674 7 92 3 109.686 . 27.3314323645 . . . . . . . . . . . 27674 7 93 1 27.934 . 56.5615222198 . . . . . . . . . . . 27674 7 93 2 8.496 . 18.3151313032 . . . . . . . . . . . 27674 7 93 3 109.679 . 28.1357207412 . . . . . . . . . . . 27674 7 94 1 57.981 . 62.6138729043 . . . . . . . . . . . 27674 7 94 2 8.162 . 14.3031068277 . . . . . . . . . . . 27674 7 94 3 117.197 . 28.6837005605 . . . . . . . . . . . 27674 7 95 1 38.635 . 61.9753784048 . . . . . . . . . . . 27674 7 95 2 8.162 . 15.1549063091 . . . . . . . . . . . 27674 7 95 3 117.182 . 29.9689785585 . . . . . . . . . . . 27674 7 96 1 52.855 . 55.4715363557 . . . . . . . . . . . 27674 7 96 2 8.126 . 20.1337501636 . . . . . . . . . . . 27674 7 96 3 114.421 . 23.7301205226 . . . . . . . . . . . 27674 7 97 1 19.317 . 58.7599633934 . . . . . . . . . . . 27674 7 97 2 8.126 . 20.2417459453 . . . . . . . . . . . 27674 7 97 3 114.420 . 23.7483093764 . . . . . . . . . . . 27674 7 98 1 56.608 . 73.8659496411 . . . . . . . . . . . 27674 7 98 2 8.210 . 18.1919584139 . . . . . . . . . . . 27674 7 98 3 116.486 . 25.9185481894 . . . . . . . . . . . 27674 7 99 1 32.960 . 72.7846213295 . . . . . . . . . . . 27674 7 99 2 8.210 . 18.2154139437 . . . . . . . . . . . 27674 7 99 3 116.495 . 24.6951041741 . . . . . . . . . . . 27674 7 100 1 63.105 . 67.6290487951 . . . . . . . . . . . 27674 7 100 2 8.396 . 18.8591239922 . . . . . . . . . . . 27674 7 100 3 110.010 . 30.6936094998 . . . . . . . . . . . 27674 7 101 1 46.162 . 62.9643594894 . . . . . . . . . . . 27674 7 101 2 8.210 . 16.4814607658 . . . . . . . . . . . 27674 7 101 3 119.550 . 27.7950451345 . . . . . . . . . . . 27674 7 102 1 58.666 . 54.4430191146 . . . . . . . . . . . 27674 7 102 2 8.141 . 19.0640776592 . . . . . . . . . . . 27674 7 102 3 119.025 . 29.2990765789 . . . . . . . . . . . 27674 7 103 1 30.263 . 59.0052607153 . . . . . . . . . . . 27674 7 103 2 8.142 . 19.2742994131 . . . . . . . . . . . 27674 7 103 3 119.026 . 28.3374627373 . . . . . . . . . . . 27674 7 104 1 34.764 . 66.3255099684 . . . . . . . . . . . 27674 7 104 2 8.396 . 14.7661967534 . . . . . . . . . . . 27674 7 104 3 110.029 . 27.8585843222 . . . . . . . . . . . 27674 7 105 1 59.217 . 75.8071172119 . . . . . . . . . . . 27674 7 105 2 7.369 . 19.6783115070 . . . . . . . . . . . 27674 7 105 3 117.554 . 33.5460115286 . . . . . . . . . . . 27674 7 106 1 33.089 . 58.3894201450 . . . . . . . . . . . 27674 7 106 2 7.793 . 17.2872272021 . . . . . . . . . . . 27674 7 106 3 117.840 . 24.8891727476 . . . . . . . . . . . 27674 7 107 1 63.044 . 70.1939208798 . . . . . . . . . . . 27674 7 107 2 8.316 . 15.2758214468 . . . . . . . . . . . 27674 7 107 3 122.087 . 24.5124442344 . . . . . . . . . . . 27674 7 108 1 39.011 . 74.5161318365 . . . . . . . . . . . 27674 7 108 2 8.042 . 20.3526266317 . . . . . . . . . . . 27674 7 108 3 119.635 . 40.5673150766 . . . . . . . . . . . 27674 7 109 1 59.561 . 69.1345971809 . . . . . . . . . . . 27674 7 109 2 8.042 . 15.4401355862 . . . . . . . . . . . 27674 7 109 3 119.638 . 44.0674514195 . . . . . . . . . . . 27674 7 110 1 29.833 . 67.2934243418 . . . . . . . . . . . 27674 7 110 2 8.003 . 17.9685664427 . . . . . . . . . . . 27674 7 110 3 118.552 . 32.7467575668 . . . . . . . . . . . 27674 7 111 1 32.087 . 73.6082431606 . . . . . . . . . . . 27674 7 111 2 8.622 . 23.2458097916 . . . . . . . . . . . 27674 7 111 3 118.475 . 26.6614897848 . . . . . . . . . . . 27674 7 112 1 64.855 . 59.2607306613 . . . . . . . . . . . 27674 7 112 2 8.623 . 22.3483535569 . . . . . . . . . . . 27674 7 112 3 118.464 . 30.5658815223 . . . . . . . . . . . 27674 7 113 1 19.669 . 71.4859884493 . . . . . . . . . . . 27674 7 113 2 8.682 . 32.6419445219 . . . . . . . . . . . 27674 7 113 3 119.578 . 27.6536755167 . . . . . . . . . . . 27674 7 114 1 39.746 . 73.9095259889 . . . . . . . . . . . 27674 7 114 2 7.370 . 17.5748396614 . . . . . . . . . . . 27674 7 114 3 117.566 . 30.1603269239 . . . . . . . . . . . 27674 7 115 1 58.206 . 58.2220407960 . . . . . . . . . . . 27674 7 115 2 7.999 . 18.7780957982 . . . . . . . . . . . 27674 7 115 3 118.597 . 33.0360334216 . . . . . . . . . . . 27674 7 116 1 33.155 . 71.6729915841 . . . . . . . . . . . 27674 7 116 2 7.885 . 16.0859779555 . . . . . . . . . . . 27674 7 116 3 110.198 . 23.7744558536 . . . . . . . . . . . 27674 7 117 1 61.997 . 74.2815121628 . . . . . . . . . . . 27674 7 117 2 7.885 . 16.0046989003 . . . . . . . . . . . 27674 7 117 3 110.200 . 23.8355996343 . . . . . . . . . . . 27674 7 118 1 70.019 . 57.5155845091 . . . . . . . . . . . 27674 7 118 2 8.289 . 20.8088178722 . . . . . . . . . . . 27674 7 118 3 117.686 . 25.0318821693 . . . . . . . . . . . 27674 7 119 1 32.802 . 68.8662130523 . . . . . . . . . . . 27674 7 119 2 8.370 . 19.6394280083 . . . . . . . . . . . 27674 7 119 3 109.465 . 23.2759675806 . . . . . . . . . . . 27674 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 2 1 . . 8.212 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 7 1 3 1 . . 110.009 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 7 2 1 1 . . 29.838 . . 1 . 1 1 43 GLN CB . . . . . . . . . . 279 . 27674 7 2 2 1 . . 8.212 . . 1 . 1 1 44 GLY H . . . . . . . . . . 2 . 27674 7 2 3 1 . . 110.007 . . 1 . 1 1 44 GLY N . . . . . . . . . . 1 . 27674 7 3 1 1 . . 56.515 . . 1 . 1 1 51 LYS CA . . . . . . . . . . 292 . 27674 7 3 2 1 . . 8.494 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 7 3 3 1 . . 109.956 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 7 4 1 1 . . 33.106 . . 1 . 1 1 51 LYS CB . . . . . . . . . . 293 . 27674 7 4 2 1 . . 8.494 . . 1 . 1 1 52 GLY H . . . . . . . . . . 4 . 27674 7 4 3 1 . . 109.957 . . 1 . 1 1 52 GLY N . . . . . . . . . . 3 . 27674 7 5 1 1 . . 53.013 . . 1 . 1 1 23 ALA CA . . . . . . . . . . 134 . 27674 7 5 2 1 . . 8.309 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 7 5 3 1 . . 107.488 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 7 6 1 1 . . 19.378 . . 1 . 1 1 23 ALA CB . . . . . . . . . . 133 . 27674 7 6 2 1 . . 8.309 . . 1 . 1 1 24 GLY H . . . . . . . . . . 6 . 27674 7 6 3 1 . . 107.490 . . 1 . 1 1 24 GLY N . . . . . . . . . . 5 . 27674 7 7 1 1 . . 56.660 . . 1 . 1 1 19 GLN CA . . . . . . . . . . 160 . 27674 7 7 2 1 . . 8.300 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 7 7 3 1 . . 115.883 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 7 8 1 1 . . 29.471 . . 1 . 1 1 19 GLN CB . . . . . . . . . . 162 . 27674 7 8 2 1 . . 8.301 . . 1 . 1 1 20 SER H . . . . . . . . . . 10 . 27674 7 8 3 1 . . 115.874 . . 1 . 1 1 20 SER N . . . . . . . . . . 9 . 27674 7 9 2 1 . . 7.603 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 7 9 3 1 . . 117.194 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 7 10 1 1 . . 39.778 . . 1 . 1 1 2 PHE CB . . . . . . . . . . 255 . 27674 7 10 2 1 . . 7.603 . . 1 . 1 1 3 PHE H . . . . . . . . . . 12 . 27674 7 10 3 1 . . 117.192 . . 1 . 1 1 3 PHE N . . . . . . . . . . 11 . 27674 7 11 1 1 . . 57.114 . . 1 . 1 1 66 GLU CA . . . . . . . . . . 236 . 27674 7 11 2 1 . . 8.086 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 7 11 3 1 . . 115.358 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 7 12 1 1 . . 30.412 . . 1 . 1 1 66 GLU CB . . . . . . . . . . 237 . 27674 7 12 2 1 . . 8.086 . . 1 . 1 1 67 THR H . . . . . . . . . . 14 . 27674 7 12 3 1 . . 115.359 . . 1 . 1 1 67 THR N . . . . . . . . . . 13 . 27674 7 13 1 1 . . 45.588 . . 1 . 1 1 52 GLY CA . . . . . . . . . . 284 . 27674 7 13 2 1 . . 8.242 . . 1 . 1 1 53 GLY H . . . . . . . . . . 16 . 27674 7 13 3 1 . . 108.737 . . 1 . 1 1 53 GLY N . . . . . . . . . . 15 . 27674 7 14 2 1 . . 8.032 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 7 14 3 1 . . 120.158 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 7 15 1 1 . . 31.968 . . 1 . 1 1 62 PRO CB . . . . . . . . . . 275 . 27674 7 15 2 1 . . 8.033 . . 1 . 1 1 63 TYR H . . . . . . . . . . 18 . 27674 7 15 3 1 . . 120.159 . . 1 . 1 1 63 TYR N . . . . . . . . . . 17 . 27674 7 16 1 1 . . 27.732 . . 1 . 1 1 16 CYS CB . . . . . . . . . . 186 . 27674 7 16 2 1 . . 8.106 . . 1 . 1 1 17 CYS H . . . . . . . . . . 20 . 27674 7 16 3 1 . . 119.101 . . 1 . 1 1 17 CYS N . . . . . . . . . . 19 . 27674 7 17 1 1 . . 59.571 . . 1 . 1 1 16 CYS CA . . . . . . . . . . 188 . 27674 7 17 2 1 . . 8.106 . . 1 . 1 1 17 CYS H . . . . . . . . . . 20 . 27674 7 17 3 1 . . 119.108 . . 1 . 1 1 17 CYS N . . . . . . . . . . 19 . 27674 7 18 1 1 . . 55.789 . . 1 . 1 1 49 MET CA . . . . . . . . . . 290 . 27674 7 18 2 2 . . 8.370 . . 1 . 1 1 50 GLY H . . . . . . . . . . 285 . 27674 7 18 3 2 . . 109.465 . . 1 . 1 1 50 GLY N . . . . . . . . . . 286 . 27674 7 19 1 1 . . 57.769 . . 1 . 1 1 9 GLN CA . . . . . . . . . . 195 . 27674 7 19 2 1 . . 8.091 . . 1 . 1 1 10 ALA H . . . . . . . . . . 24 . 27674 7 19 3 1 . . 122.405 . . 1 . 1 1 10 ALA N . . . . . . . . . . 23 . 27674 7 20 1 1 . . 28.795 . . 1 . 1 1 9 GLN CB . . . . . . . . . . 196 . 27674 7 20 2 1 . . 8.091 . . 1 . 1 1 10 ALA H . . . . . . . . . . 24 . 27674 7 20 3 1 . . 122.410 . . 1 . 1 1 10 ALA N . . . . . . . . . . 23 . 27674 7 21 2 1 . . 8.115 . . 1 . 1 1 64 SER H . . . . . . . . . . 26 . 27674 7 21 3 1 . . 116.968 . . 1 . 1 1 64 SER N . . . . . . . . . . 25 . 27674 7 22 1 1 . . 38.882 . . 1 . 1 1 63 TYR CB . . . . . . . . . . 276 . 27674 7 22 2 1 . . 8.116 . . 1 . 1 1 64 SER H . . . . . . . . . . 26 . 27674 7 22 3 1 . . 116.967 . . 1 . 1 1 64 SER N . . . . . . . . . . 25 . 27674 7 23 2 1 . . 8.434 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 7 23 3 1 . . 122.029 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 7 24 2 1 . . 8.425 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 7 24 3 1 . . 122.097 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 7 25 2 1 . . 8.425 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 7 25 3 1 . . 122.089 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 7 26 2 1 . . 8.436 . . 1 . 1 1 27 HIS H . . . . . . . . . . 28 . 27674 7 26 3 1 . . 122.000 . . 1 . 1 1 27 HIS N . . . . . . . . . . 27 . 27674 7 27 2 1 . . 8.309 . . 1 . . . . . . . . . . . . . . . . 32 . 27674 7 27 3 1 . . 110.130 . . 1 . . . . . . . . . . . . . . . . 31 . 27674 7 28 2 1 . . 8.310 . . 1 . . . . . . . . . . . . . . . . 32 . 27674 7 28 3 1 . . 110.133 . . 1 . . . . . . . . . . . . . . . . 31 . 27674 7 29 2 1 . . 8.289 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 7 29 3 1 . . 117.697 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 7 30 2 1 . . 7.836 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 7 30 3 1 . . 121.030 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 7 31 2 1 . . 7.836 . . 1 . . . . . . . . . . . . . . . . 40 . 27674 7 31 3 1 . . 121.064 . . 1 . . . . . . . . . . . . . . . . 39 . 27674 7 32 2 1 . . 8.253 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 7 32 3 1 . . 120.840 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 7 33 2 1 . . 8.254 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 7 33 3 1 . . 120.821 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 7 34 2 2 . . 8.221 . . 1 . . . . . . . . . . . . . . . . 116 . 27674 7 34 3 2 . . 120.768 . . 1 . . . . . . . . . . . . . . . . 115 . 27674 7 35 2 1 . . 8.239 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 7 35 3 1 . . 120.531 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 7 36 2 1 . . 8.241 . . 1 . . . . . . . . . . . . . . . . 42 . 27674 7 36 3 1 . . 120.534 . . 1 . . . . . . . . . . . . . . . . 41 . 27674 7 37 2 1 . . 8.354 . . 1 . . . . . . . . . . . . . . . . 44 . 27674 7 37 3 1 . . 117.507 . . 1 . . . . . . . . . . . . . . . . 43 . 27674 7 38 2 1 . . 8.355 . . 1 . . . . . . . . . . . . . . . . 44 . 27674 7 38 3 1 . . 117.509 . . 1 . . . . . . . . . . . . . . . . 43 . 27674 7 39 1 1 . . 63.714 . . 1 . 1 1 11 SER CB . . . . . . . . . . 191 . 27674 7 39 2 1 . . 8.031 . . 1 . 1 1 12 THR H . . . . . . . . . . 46 . 27674 7 39 3 1 . . 114.560 . . 1 . 1 1 12 THR N . . . . . . . . . . 45 . 27674 7 40 1 1 . . 60.777 . . 1 . 1 1 11 SER CA . . . . . . . . . . 192 . 27674 7 40 2 1 . . 8.029 . . 1 . 1 1 12 THR H . . . . . . . . . . 46 . 27674 7 40 3 1 . . 114.567 . . 1 . 1 1 12 THR N . . . . . . . . . . 45 . 27674 7 41 1 1 . . 62.485 . . 1 . 1 1 69 VAL CA . . . . . . . . . . 228 . 27674 7 41 2 1 . . 8.184 . . 1 . 1 1 70 VAL H . . . . . . . . . . 48 . 27674 7 41 3 1 . . 124.308 . . 1 . 1 1 70 VAL N . . . . . . . . . . 47 . 27674 7 42 1 1 . . 32.796 . . 1 . 1 1 69 VAL CB . . . . . . . . . . 229 . 27674 7 42 2 1 . . 8.183 . . 1 . 1 1 70 VAL H . . . . . . . . . . 48 . 27674 7 42 3 1 . . 124.306 . . 1 . 1 1 70 VAL N . . . . . . . . . . 47 . 27674 7 43 1 1 . . 63.515 . . 1 . 1 1 47 PRO CA . . . . . . . . . . 302 . 27674 7 43 2 1 . . 8.514 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 7 43 3 1 . . 118.221 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 7 44 1 1 . . 32.206 . . 1 . 1 1 47 PRO CB . . . . . . . . . . 299 . 27674 7 44 2 1 . . 8.515 . . 1 . 1 1 48 ASN H . . . . . . . . . . 52 . 27674 7 44 3 1 . . 118.224 . . 1 . 1 1 48 ASN N . . . . . . . . . . 51 . 27674 7 45 2 3 . . 8.347 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 7 45 3 3 . . 122.032 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 7 46 2 3 . . 8.343 . . 1 . . . . . . . . . . . . . . . . 66 . 27674 7 46 3 3 . . 122.082 . . 1 . . . . . . . . . . . . . . . . 65 . 27674 7 47 1 1 . . 56.682 . . 1 . 1 1 21 ARG CA . . . . . . . . . . 137 . 27674 7 47 2 1 . . 8.177 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 7 47 3 1 . . 115.639 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 7 48 1 1 . . 30.672 . . 1 . 1 1 21 ARG CB . . . . . . . . . . 138 . 27674 7 48 2 1 . . 8.177 . . 1 . 1 1 22 SER H . . . . . . . . . . 56 . 27674 7 48 3 1 . . 115.644 . . 1 . 1 1 22 SER N . . . . . . . . . . 55 . 27674 7 49 1 1 . . 64.031 . . 1 . 1 1 34 SER CB . . . . . . . . . . 143 . 27674 7 49 2 1 . . 8.277 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 7 49 3 1 . . 125.838 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 7 50 1 1 . . 58.589 . . 1 . 1 1 34 SER CA . . . . . . . . . . 142 . 27674 7 50 2 1 . . 8.277 . . 1 . 1 1 35 ALA H . . . . . . . . . . 58 . 27674 7 50 3 1 . . 125.837 . . 1 . 1 1 35 ALA N . . . . . . . . . . 57 . 27674 7 51 2 1 . . 7.640 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 7 51 3 1 . . 123.281 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 7 52 1 2 . . 39.720 . . 1 . 1 1 3 PHE CB . . . . . . . . . . 181 . 27674 7 52 2 1 . . 7.640 . . 1 . 1 1 4 ASP H . . . . . . . . . . 60 . 27674 7 52 3 1 . . 123.282 . . 1 . 1 1 4 ASP N . . . . . . . . . . 59 . 27674 7 53 2 1 . . 8.245 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 7 53 3 1 . . 116.924 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 7 54 2 1 . . 8.245 . . 1 . . . . . . . . . . . . . . . . 62 . 27674 7 54 3 1 . . 116.911 . . 1 . . . . . . . . . . . . . . . . 61 . 27674 7 55 1 1 . . 45.724 . . 1 . 1 1 24 GLY CA . . . . . . . . . . 205 . 27674 7 55 2 1 . . 7.975 . . 1 . 1 1 25 THR H . . . . . . . . . . 64 . 27674 7 55 3 1 . . 112.829 . . 1 . 1 1 25 THR N . . . . . . . . . . 63 . 27674 7 56 2 2 . . 8.319 . . 1 . 1 1 65 GLN H . . . . . . . . . . 128 . 27674 7 56 3 2 . . 122.243 . . 1 . 1 1 65 GLN N . . . . . . . . . . 127 . 27674 7 57 2 2 . . 8.319 . . 1 . 1 1 65 GLN H . . . . . . . . . . 128 . 27674 7 57 3 2 . . 122.243 . . 1 . 1 1 65 GLN N . . . . . . . . . . 127 . 27674 7 58 1 1 . . 56.296 . . 1 . 1 1 15 LEU CA . . . . . . . . . . 147 . 27674 7 58 2 1 . . 7.880 . . 1 . 1 1 16 CYS H . . . . . . . . . . 68 . 27674 7 58 3 1 . . 115.813 . . 1 . 1 1 16 CYS N . . . . . . . . . . 67 . 27674 7 59 1 1 . . 42.317 . . 1 . 1 1 15 LEU CB . . . . . . . . . . 146 . 27674 7 59 2 1 . . 7.880 . . 1 . 1 1 16 CYS H . . . . . . . . . . 68 . 27674 7 59 3 1 . . 115.814 . . 1 . 1 1 16 CYS N . . . . . . . . . . 67 . 27674 7 60 1 1 . . 55.357 . . 1 . 1 1 68 LEU CA . . . . . . . . . . 231 . 27674 7 60 2 1 . . 8.111 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 7 60 3 1 . . 122.945 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 7 61 1 1 . . 42.707 . . 1 . 1 1 68 LEU CB . . . . . . . . . . 232 . 27674 7 61 2 1 . . 8.111 . . 1 . 1 1 69 VAL H . . . . . . . . . . 70 . 27674 7 61 3 1 . . 122.945 . . 1 . 1 1 69 VAL N . . . . . . . . . . 69 . 27674 7 62 2 1 . . 8.230 . . 1 . . . . . . . . . . . . . . . . 74 . 27674 7 62 3 1 . . 117.650 . . 1 . . . . . . . . . . . . . . . . 73 . 27674 7 63 2 1 . . 8.231 . . 1 . . . . . . . . . . . . . . . . 74 . 27674 7 63 3 1 . . 117.642 . . 1 . . . . . . . . . . . . . . . . 73 . 27674 7 64 1 1 . . 62.080 . . 1 . 1 1 67 THR CA . . . . . . . . . . 234 . 27674 7 64 2 1 . . 8.145 . . 1 . 1 1 68 LEU H . . . . . . . . . . 84 . 27674 7 64 3 1 . . 125.411 . . 1 . 1 1 68 LEU N . . . . . . . . . . 83 . 27674 7 65 1 1 . . 63.442 . . 1 . 1 1 13 SER CB . . . . . . . . . . 206 . 27674 7 65 2 1 . . 7.962 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 7 65 3 1 . . 119.927 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 7 66 1 1 . . 61.023 . . 1 . 1 1 13 SER CA . . . . . . . . . . 207 . 27674 7 66 2 1 . . 7.962 . . 1 . 1 1 14 MET H . . . . . . . . . . 86 . 27674 7 66 3 1 . . 119.897 . . 1 . 1 1 14 MET N . . . . . . . . . . 85 . 27674 7 67 1 1 . . 68.991 . . 1 . 1 1 12 THR CB . . . . . . . . . . 190 . 27674 7 67 2 1 . . 8.060 . . 1 . 1 1 13 SER H . . . . . . . . . . 90 . 27674 7 67 3 1 . . 117.223 . . 1 . 1 1 13 SER N . . . . . . . . . . 89 . 27674 7 68 1 2 . . 64.955 . . 1 . 1 1 12 THR CA . . . . . . . . . . 212 . 27674 7 68 2 1 . . 8.062 . . 1 . 1 1 13 SER H . . . . . . . . . . 90 . 27674 7 68 3 1 . . 117.217 . . 1 . 1 1 13 SER N . . . . . . . . . . 89 . 27674 7 69 2 2 . . 8.059 . . 1 . . . . . . . . . . . . . . . . 176 . 27674 7 69 3 3 . . 117.115 . . 1 . . . . . . . . . . . . . . . . 175 . 27674 7 70 2 2 . . 8.060 . . 1 . . . . . . . . . . . . . . . . 169 . 27674 7 70 3 2 . . 117.113 . . 1 . . . . . . . . . . . . . . . . 168 . 27674 7 71 2 1 . . 8.396 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 7 71 3 1 . . 121.595 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 7 72 1 1 . . 29.617 . . 1 . 1 1 65 GLN CB . . . . . . . . . . 309 . 27674 7 72 2 1 . . 8.396 . . 1 . 1 1 66 GLU H . . . . . . . . . . 92 . 27674 7 72 3 1 . . 121.592 . . 1 . 1 1 66 GLU N . . . . . . . . . . 91 . 27674 7 73 2 1 . . 8.190 . . 1 . 1 1 51 LYS H . . . . . . . . . . 94 . 27674 7 73 3 1 . . 120.758 . . 1 . 1 1 51 LYS N . . . . . . . . . . 93 . 27674 7 74 1 1 . . 64.018 . . 1 . 1 1 22 SER CB . . . . . . . . . . 136 . 27674 7 74 2 1 . . 8.227 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 7 74 3 1 . . 125.587 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 7 75 1 1 . . 58.665 . . 1 . 1 1 22 SER CA . . . . . . . . . . 135 . 27674 7 75 2 1 . . 8.227 . . 1 . 1 1 23 ALA H . . . . . . . . . . 96 . 27674 7 75 3 1 . . 125.586 . . 1 . 1 1 23 ALA N . . . . . . . . . . 95 . 27674 7 76 1 1 . . 59.164 . . 1 . 1 1 20 SER CA . . . . . . . . . . 157 . 27674 7 76 2 1 . . 8.252 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 7 76 3 1 . . 122.326 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 7 77 1 1 . . 63.781 . . 1 . 1 1 20 SER CB . . . . . . . . . . 158 . 27674 7 77 2 1 . . 8.253 . . 1 . 1 1 21 ARG H . . . . . . . . . . 98 . 27674 7 77 3 1 . . 122.311 . . 1 . 1 1 21 ARG N . . . . . . . . . . 97 . 27674 7 78 1 1 . . 63.956 . . 1 . 1 1 36 SER CB . . . . . . . . . . 260 . 27674 7 78 2 1 . . 8.040 . . 1 . 1 1 37 TYR H . . . . . . . . . . 100 . 27674 7 78 3 1 . . 121.844 . . 1 . 1 1 37 TYR N . . . . . . . . . . 99 . 27674 7 79 2 1 . . 8.041 . . 1 . 1 1 37 TYR H . . . . . . . . . . 100 . 27674 7 79 3 1 . . 121.848 . . 1 . 1 1 37 TYR N . . . . . . . . . . 99 . 27674 7 80 2 1 . . 8.202 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 7 80 3 1 . . 108.937 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 7 81 1 1 . . 32.390 . . 1 . 1 1 45 PRO CB . . . . . . . . . . 268 . 27674 7 81 2 1 . . 8.202 . . 1 . 1 1 46 GLY H . . . . . . . . . . 102 . 27674 7 81 3 1 . . 108.940 . . 1 . 1 1 46 GLY N . . . . . . . . . . 101 . 27674 7 82 1 1 . . 57.764 . . 1 . 1 1 14 MET CA . . . . . . . . . . 148 . 27674 7 82 2 1 . . 7.794 . . 1 . 1 1 15 LEU H . . . . . . . . . . 106 . 27674 7 82 3 1 . . 117.842 . . 1 . 1 1 15 LEU N . . . . . . . . . . 105 . 27674 7 83 2 1 . . 8.339 . . 1 . . . . . . . . . . . . . . . . 108 . 27674 7 83 3 1 . . 110.584 . . 1 . . . . . . . . . . . . . . . . 107 . 27674 7 84 2 1 . . 8.340 . . 1 . . . . . . . . . . . . . . . . 108 . 27674 7 84 3 1 . . 110.584 . . 1 . . . . . . . . . . . . . . . . 107 . 27674 7 85 1 1 . . 54.283 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 194 . 27674 7 85 2 1 . . 8.020 . . 1 . 1 1 11 SER H . . . . . . . . . . 112 . 27674 7 85 3 1 . . 112.948 . . 1 . 1 1 11 SER N . . . . . . . . . . 111 . 27674 7 86 1 1 . . 19.085 . . 1 . 1 1 10 ALA CB . . . . . . . . . . 193 . 27674 7 86 2 1 . . 8.019 . . 1 . 1 1 11 SER H . . . . . . . . . . 112 . 27674 7 86 3 1 . . 112.933 . . 1 . 1 1 11 SER N . . . . . . . . . . 111 . 27674 7 87 2 1 . . 8.391 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 7 87 3 1 . . 120.707 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 7 88 2 1 . . 8.393 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 7 88 3 1 . . 120.704 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 7 89 2 1 . . 8.391 . . 1 . . . . . . . . . . . . . . . . 114 . 27674 7 89 3 1 . . 120.716 . . 1 . . . . . . . . . . . . . . . . 113 . 27674 7 90 1 1 . . 63.966 . . 1 . . . . . . . . . . . . . . . . 298 . 27674 7 90 2 1 . . 8.065 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 7 90 3 1 . . 123.706 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 7 91 1 1 . . 58.291 . . 1 . . . . . . . . . . . . . . . . 296 . 27674 7 91 2 1 . . 8.065 . . 1 . . . . . . . . . . . . . . . . 118 . 27674 7 91 3 1 . . 123.709 . . 1 . . . . . . . . . . . . . . . . 117 . 27674 7 92 1 1 . . 59.754 . . 1 . 1 1 17 CYS CA . . . . . . . . . . 183 . 27674 7 92 2 1 . . 8.496 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 7 92 3 1 . . 109.686 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 7 93 1 1 . . 27.934 . . 1 . 1 1 17 CYS CB . . . . . . . . . . 184 . 27674 7 93 2 1 . . 8.496 . . 1 . 1 1 18 GLY H . . . . . . . . . . 120 . 27674 7 93 3 1 . . 109.679 . . 1 . 1 1 18 GLY N . . . . . . . . . . 119 . 27674 7 94 2 1 . . 8.162 . . 1 . . . . . . . . . . . . . . . . 122 . 27674 7 94 3 1 . . 117.197 . . 1 . . . . . . . . . . . . . . . . 121 . 27674 7 95 2 1 . . 8.162 . . 1 . . . . . . . . . . . . . . . . 122 . 27674 7 95 3 1 . . 117.182 . . 1 . . . . . . . . . . . . . . . . 121 . 27674 7 96 2 1 . . 8.126 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 7 96 3 1 . . 114.421 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 7 97 2 1 . . 8.126 . . 1 . 1 1 36 SER H . . . . . . . . . . 124 . 27674 7 97 3 1 . . 114.420 . . 1 . 1 1 36 SER N . . . . . . . . . . 123 . 27674 7 98 1 1 . . 56.608 . . 1 . . . . . . . . . . . . . . . . 151 . 27674 7 98 2 1 . . 8.210 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 7 98 3 1 . . 116.486 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 7 99 1 1 . . 32.960 . . 1 . . . . . . . . . . . . . . . . 152 . 27674 7 99 2 1 . . 8.210 . . 1 . 1 1 34 SER H . . . . . . . . . . 126 . 27674 7 99 3 1 . . 116.495 . . 1 . 1 1 34 SER N . . . . . . . . . . 125 . 27674 7 100 2 1 . . 8.396 . . 1 . . . . . . . . . . . . . . . . 130 . 27674 7 100 3 1 . . 110.010 . . 1 . . . . . . . . . . . . . . . . 129 . 27674 7 101 1 1 . . 46.162 . . 1 . 1 1 18 GLY CA . . . . . . . . . . 164 . 27674 7 101 2 1 . . 8.210 . . 1 . 1 1 19 GLN H . . . . . . . . . . 132 . 27674 7 101 3 1 . . 119.550 . . 1 . 1 1 19 GLN N . . . . . . . . . . 131 . 27674 7 102 1 1 . . 58.666 . . 1 . 1 1 8 ARG CA . . . . . . . . . . 198 . 27674 7 102 2 1 . . 8.141 . . 1 . 1 1 9 GLN H . . . . . . . . . . 104 . 27674 7 102 3 1 . . 119.025 . . 1 . 1 1 9 GLN N . . . . . . . . . . 103 . 27674 7 103 1 1 . . 30.263 . . 1 . 1 1 8 ARG CB . . . . . . . . . . 197 . 27674 7 103 2 1 . . 8.142 . . 1 . 1 1 9 GLN H . . . . . . . . . . 104 . 27674 7 103 3 1 . . 119.026 . . 1 . 1 1 9 GLN N . . . . . . . . . . 103 . 27674 7 104 2 1 . . 8.396 . . 1 . . . . . . . . . . . . . . . . 130 . 27674 7 104 3 1 . . 110.029 . . 1 . . . . . . . . . . . . . . . . 129 . 27674 7 105 2 1 . . 7.369 . . 1 . . . . . . . . . . . . . . . . 30 . 27674 7 105 3 1 . . 117.554 . . 1 . . . . . . . . . . . . . . . . 29 . 27674 7 106 1 1 . . 33.089 . . 1 . 1 1 14 MET CB . . . . . . . . . . 149 . 27674 7 106 2 1 . . 7.793 . . 1 . 1 1 15 LEU H . . . . . . . . . . 106 . 27674 7 106 3 1 . . 117.840 . . 1 . 1 1 15 LEU N . . . . . . . . . . 105 . 27674 7 107 2 1 . . 8.316 . . 1 . . . . . . . . . . . . . . . . 54 . 27674 7 107 3 1 . . 122.087 . . 1 . . . . . . . . . . . . . . . . 53 . 27674 7 108 1 1 . . 39.011 . . 1 . 1 1 7 PHE CB . . . . . . . . . . 200 . 27674 7 108 2 1 . . 8.042 . . 1 . 1 1 8 ARG H . . . . . . . . . . 72 . 27674 7 108 3 1 . . 119.635 . . 1 . 1 1 8 ARG N . . . . . . . . . . 71 . 27674 7 109 1 1 . . 59.561 . . 1 . 1 1 7 PHE CA . . . . . . . . . . 199 . 27674 7 109 2 1 . . 8.042 . . 1 . 1 1 8 ARG H . . . . . . . . . . 72 . 27674 7 109 3 1 . . 119.638 . . 1 . 1 1 8 ARG N . . . . . . . . . . 71 . 27674 7 110 1 1 . . 29.833 . . 1 . 1 1 6 ARG CB . . . . . . . . . . 201 . 27674 7 110 2 1 . . 8.003 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 7 110 3 1 . . 118.552 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 7 111 1 1 . . 32.087 . . 1 . 1 1 5 PRO CB . . . . . . . . . . 222 . 27674 7 111 2 1 . . 8.622 . . 1 . 1 1 6 ARG H . . . . . . . . . . 38 . 27674 7 111 3 1 . . 118.475 . . 1 . 1 1 6 ARG N . . . . . . . . . . 37 . 27674 7 112 1 1 . . 64.855 . . 1 . 1 1 5 PRO CA . . . . . . . . . . 221 . 27674 7 112 2 1 . . 8.623 . . 1 . 1 1 6 ARG H . . . . . . . . . . 38 . 27674 7 112 3 1 . . 118.464 . . 1 . 1 1 6 ARG N . . . . . . . . . . 37 . 27674 7 113 2 1 . . 8.682 . . 1 . 1 1 2 PHE H . . . . . . . . . . 180 . 27674 7 113 3 1 . . 119.578 . . 1 . 1 1 2 PHE N . . . . . . . . . . 179 . 27674 7 114 2 1 . . 7.370 . . 1 . . . . . . . . . . . . . . . . 30 . 27674 7 114 3 1 . . 117.566 . . 1 . . . . . . . . . . . . . . . . 29 . 27674 7 115 1 1 . . 58.206 . . 1 . 1 1 6 ARG CA . . . . . . . . . . 202 . 27674 7 115 2 1 . . 7.999 . . 1 . 1 1 7 PHE H . . . . . . . . . . 8 . 27674 7 115 3 1 . . 118.597 . . 1 . 1 1 7 PHE N . . . . . . . . . . 7 . 27674 7 116 1 1 . . 33.155 . . 1 . 1 1 70 VAL CB . . . . . . . . . . 245 . 27674 7 116 2 1 . . 7.885 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 7 116 3 1 . . 110.198 . . 1 . 1 1 71 ASP N . . . . . . . . . . 223 . 27674 7 117 1 1 . . 61.997 . . 1 . 1 1 70 VAL CA . . . . . . . . . . 224 . 27674 7 117 2 1 . . 7.885 . . 1 . 1 1 71 ASP H . . . . . . . . . . 78 . 27674 7 117 3 1 . . 110.200 . . 1 . 1 1 71 ASP N . . . . . . . . . . 223 . 27674 7 118 1 1 . . 70.019 . . 1 . 1 1 25 THR CB . . . . . . . . . . 240 . 27674 7 118 2 1 . . 8.289 . . 1 . 1 1 26 SER H . . . . . . . . . . 36 . 27674 7 118 3 1 . . 117.686 . . 1 . 1 1 26 SER N . . . . . . . . . . 35 . 27674 7 119 1 1 . . 32.802 . . 1 . 1 1 49 MET CB . . . . . . . . . . 289 . 27674 7 119 2 2 . . 8.370 . . 1 . 1 1 50 GLY H . . . . . . . . . . 285 . 27674 7 119 3 2 . . 109.465 . . 1 . 1 1 50 GLY N . . . . . . . . . . 286 . 27674 7 stop_ save_