data_18729 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18729 _Entry.Title ; S64 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-19 _Entry.Accession_date 2012-09-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 'putative venom toxin from Sicarius dolichocephalus' 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 Nikolaus Loening . M. . . 18729 2 Zachary Wilson . N. . . 18729 3 Pamela Zobel-Thropp . A. . . 18729 4 Greta Binford . J. . . 18729 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' . 18729 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Lewis & Clark College' . 18729 2 . LOENINGGroup . 18729 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ICK . 18729 TOXIN . 18729 'spider venom peptide' . 18729 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18729 spectral_peak_list 17 18729 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 126 18729 '15N chemical shifts' 32 18729 '1H chemical shifts' 187 18729 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 . . 2013-02-18 2012-09-19 update BMRB 'update entry citation' 18729 1 . . 2013-01-09 2012-09-19 original author 'original release' 18729 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4B2V 'BMRB Entry Tracking System' 18729 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18729 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23342149 _Citation.Full_citation . _Citation.Title ; Solution Structures of Two Homologous Venom Peptides from Sicarius dolichocephalus. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 e54401 _Citation.Page_last e54401 _Citation.Year 2013 _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 Nikolaus Loening . M. . . 18729 1 2 Zachary Wilson . N. . . 18729 1 3 Pamela Zobel-Thropp . A. . . 18729 1 4 Greta Binford . J. . . 18729 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18729 _Assembly.ID 1 _Assembly.Name MS2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 3557.9088 _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 S64 1 $S64 A . yes native no no . . 'mature peptide sequence' 18729 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 S64 1 CYS 20 20 SG . 1 S64 1 CYS 29 29 SG . S64 . 20 CYS SG . S64 . 29 CYS SG 18729 1 2 disulfide single . 1 S64 1 CYS 10 10 SG . 1 S64 1 CYS 24 24 SG . S64 . 10 CYS SG . S64 . 24 CYS SG 18729 1 3 disulfide single . 1 S64 1 CYS 3 3 SG . 1 S64 1 CYS 21 21 SG . S64 . 3 CYS SG . S64 . 21 CYS SG 18729 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S64 _Entity.Sf_category entity _Entity.Sf_framecode S64 _Entity.Entry_ID 18729 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S64 _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 ; SECVENGGFCPDPEKMGDWC CGRCIRNECRNG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '0Ser is an expression artifact' _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 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3557.9088 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'mature peptide sequence' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 4B2V . 4B2V . . . . . . . . . . . . . . 18729 1 2 no PDB 4B2V . 'S64, A Spider Venom Toxin Peptide From Sicarius Dolichocephalus' . . . . . 100.00 32 100.00 100.00 3.85e-13 . . . . 18729 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 18729 1 2 . GLU . 18729 1 3 . CYS . 18729 1 4 . VAL . 18729 1 5 . GLU . 18729 1 6 . ASN . 18729 1 7 . GLY . 18729 1 8 . GLY . 18729 1 9 . PHE . 18729 1 10 . CYS . 18729 1 11 . PRO . 18729 1 12 . ASP . 18729 1 13 . PRO . 18729 1 14 . GLU . 18729 1 15 . LYS . 18729 1 16 . MET . 18729 1 17 . GLY . 18729 1 18 . ASP . 18729 1 19 . TRP . 18729 1 20 . CYS . 18729 1 21 . CYS . 18729 1 22 . GLY . 18729 1 23 . ARG . 18729 1 24 . CYS . 18729 1 25 . ILE . 18729 1 26 . ARG . 18729 1 27 . ASN . 18729 1 28 . GLU . 18729 1 29 . CYS . 18729 1 30 . ARG . 18729 1 31 . ASN . 18729 1 32 . GLY . 18729 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 . SER 1 1 18729 1 . GLU 2 2 18729 1 . CYS 3 3 18729 1 . VAL 4 4 18729 1 . GLU 5 5 18729 1 . ASN 6 6 18729 1 . GLY 7 7 18729 1 . GLY 8 8 18729 1 . PHE 9 9 18729 1 . CYS 10 10 18729 1 . PRO 11 11 18729 1 . ASP 12 12 18729 1 . PRO 13 13 18729 1 . GLU 14 14 18729 1 . LYS 15 15 18729 1 . MET 16 16 18729 1 . GLY 17 17 18729 1 . ASP 18 18 18729 1 . TRP 19 19 18729 1 . CYS 20 20 18729 1 . CYS 21 21 18729 1 . GLY 22 22 18729 1 . ARG 23 23 18729 1 . CYS 24 24 18729 1 . ILE 25 25 18729 1 . ARG 26 26 18729 1 . ASN 27 27 18729 1 . GLU 28 28 18729 1 . CYS 29 29 18729 1 . ARG 30 30 18729 1 . ASN 31 31 18729 1 . GLY 32 32 18729 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 18729 _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 $S64 . 571538 organism . 'Sicarius dolichocephalus' spiders . . Eukaryota Metazoa Sicarius dolichocephalus . . 'venom gland' . . . . . . . . S64 'transcript identified from cDNA library constructed from venom gland mRNA' 18729 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 18729 _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 $S64 . 'recombinant technology' 'Escherichia coli' 'ESCHERICHIA COLI' . . Escherichia coli BL21(DE3) . . . . . pLICC . . . 18729 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_new_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_new_2 _Sample.Entry_ID 18729 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'S64 0.000250 (error 0.000050) M' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95%H2O/5% 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 S64 '[U-13C; U-15N]' . . 1 $S64 . . 0.25 . . mM 0.05 . . . 18729 4 stop_ save_ save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 18729 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.4' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 S64 '[U-98% 15N]' . . 1 $S64 . . 0.15 . . mM 5e-05 . . . 18729 1 stop_ save_ save_13C_15N _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N _Sample.Entry_ID 18729 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.4' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 S64 '[U-98% 15N]' . . 1 $S64 . . 0.25 . . mM 5e-05 . . . 18729 2 stop_ save_ save_sample_new_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_new_1 _Sample.Entry_ID 18729 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'S64 0.000150 (error 0.000050) M' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 S64 '[U-13C; U-15N]' . . 1 $S64 . . 0.15 . . mM 0.05 . . . 18729 3 stop_ save_ ####################### # Sample conditions # ####################### save_Standard _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Standard _Sample_condition_list.Entry_ID 18729 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.020 . M 18729 1 pH 7.400 . pH 18729 1 pressure 1.000 . atm 18729 1 temperature 300.000 . K 18729 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18729 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 2.3.2 _Software.DOI . _Software.Details 'Ambiguous restraints for iterative assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rieping W., Habeck M., Bardiaux B., Bernard A., Malliavin T.E., Nilges M.' . http://aria.pasteur.fr/ 18729 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOE assignment' 18729 1 'structure calculation' 18729 1 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18729 _Software.ID 2 _Software.Type . _Software.Name AutoDep _Software.Version 4.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 18729 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18729 2 stop_ save_ save_CNS_1.2_PATCH_LEVEL _Software.Sf_category software _Software.Sf_framecode CNS_1.2_PATCH_LEVEL _Software.Entry_ID 18729 _Software.ID 3 _Software.Type . _Software.Name CNS_1.2_PATCH_LEVEL _Software.Version 1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18729 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18729 3 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18729 _Software.ID 4 _Software.Type . _Software.Name ANALYSIS _Software.Version 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 18729 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18729 4 'project management' 18729 4 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18729 _Software.ID 5 _Software.Type . _Software.Name TALOS+ _Software.Version 3.60F1 _Software.DOI . _Software.Details 'Prediction of protein backbone torsion angles from NMR chemical shifts' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Frank Delaglio, Gabriel Cornilescu, and Ad Bax' 'NIDDK, NIH, Bethesda, MD 20892, USA' http://spin.niddk.nih.gov/NMRPipe/talos/ 18729 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'protein backbone dihedral angle prediction' 18729 5 stop_ save_ save_TALOSPLUS_3.60F1 _Software.Sf_category software _Software.Sf_framecode TALOSPLUS_3.60F1 _Software.Entry_ID 18729 _Software.ID 6 _Software.Type . _Software.Name TALOSPLUS_3.60F1 _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18729 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18729 6 stop_ save_ save_CNS _Method.Sf_category method _Method.Sf_framecode CNS _Method.Entry_ID 18729 _Method.ID 1 _Method.Derivation_type . _Method.Details CNS _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av750 _NMR_spectrometer.Entry_ID 18729 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_fmp600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode fmp600 _NMR_spectrometer.Entry_ID 18729 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_av600psf _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av600psf _NMR_spectrometer.Entry_ID 18729 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_BRUKER_AVANCE_DMX-750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode BRUKER_AVANCE_DMX-750 _NMR_spectrometer.Entry_ID 18729 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE, DMX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 18729 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 av750 Bruker Avance . 750 . . . 18729 1 2 fmp600 Bruker DRX . 600 . . . 18729 1 3 av600psf Bruker Avance . 600 . . . 18729 1 4 BRUKER_AVANCE_DMX-750 Bruker 'AVANCE, DMX' . 750 . . . 18729 1 stop_ save_ save_cryoprobe _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode cryoprobe _NMR_spectrometer_probe.Entry_ID 18729 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model . _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 18729 1 stop_ save_ save_room_temperature_probe _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode room_temperature_probe _NMR_spectrometer_probe.Entry_ID 18729 _NMR_spectrometer_probe.ID 2 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model . _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 18729 2 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18729 _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 $NMR_spectrometer_expt . . . . . . . . 1 $15N isotropic . . 1 $Standard . . . 1 $av750 1 $cryoprobe . . . . . . . . . . . . . . 18729 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 2 $fmp600 2 $room_temperature_probe . . . . . . . . . . . . . . 18729 1 3 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 2 $fmp600 2 $room_temperature_probe . . . . . . . . . . . . . . 18729 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 2 $fmp600 2 $room_temperature_probe . . . . . . . . . . . . . . 18729 1 5 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 2 $fmp600 2 $room_temperature_probe . . . . . . . . . . . . . . 18729 1 6 'HNCACO (HNcaCO)' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 2 $fmp600 2 $room_temperature_probe . . . . . . . . . . . . . . 18729 1 7 'HCCoNNH (HccoNH)' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 2 $fmp600 2 $room_temperature_probe . . . . . . . . . . . . . . 18729 1 8 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 2 $fmp600 2 $room_temperature_probe . . . . . . . . . . . . . . 18729 1 9 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 2 $fmp600 2 $room_temperature_probe . . . . . . . . . . . . . . 18729 1 10 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 2 $fmp600 2 $room_temperature_probe . . . . . . . . . . . . . . 18729 1 11 '2D 1H-13C HSQC/HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 3 $av600psf 1 $cryoprobe . . . . . . . . . . . . . . 18729 1 12 '2D 1H-13C HSQC/HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 3 $av600psf 1 $cryoprobe . . . . . . . . . . . . . . 18729 1 13 '2D 1H-15N HSQC/HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 3 $av600psf 1 $cryoprobe . . . . . . . . . . . . . . 18729 1 14 '13C HSQC-NOESY (H[{N|C}]_H.through-space)' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 3 $av600psf 1 $cryoprobe . . . . . . . . . . . . . . 18729 1 15 '15N HSQC-NOESY (H[{N|C}]_H.through-space)' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 3 $av600psf 1 $cryoprobe . . . . . . . . . . . . . . 18729 1 16 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 3 $av600psf 1 $cryoprobe . . . . . . . . . . . . . . 18729 1 17 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $13C_15N isotropic . . 1 $Standard . . . 3 $av600psf 1 $cryoprobe . . . . . . . . . . . . . . 18729 1 18 '15N HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_new_1 solution . . 1 $Standard . . . 4 $BRUKER_AVANCE_DMX-750 . . . . . . . . . . . . . . . . 18729 1 19 '1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_new_2 solution . . 1 $Standard . . . 4 $BRUKER_AVANCE_DMX-750 . . . . . . . . . . . . . . . . 18729 1 20 '1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_new_2 solution . . 1 $Standard . . . 4 $BRUKER_AVANCE_DMX-750 . . . . . . . . . . . . . . . . 18729 1 21 CCCONNH no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_new_2 solution . . 1 $Standard . . . 4 $BRUKER_AVANCE_DMX-750 . . . . . . . . . . . . . . . . 18729 1 22 HBHACONNH no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_new_2 solution . . 1 $Standard . . . 4 $BRUKER_AVANCE_DMX-750 . . . . . . . . . . . . . . . . 18729 1 23 HCCONNH no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_new_2 solution . . 1 $Standard . . . 4 $BRUKER_AVANCE_DMX-750 . . . . . . . . . . . . . . . . 18729 1 24 HNCACB no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_new_2 solution . . 1 $Standard . . . 4 $BRUKER_AVANCE_DMX-750 . . . . . . . . . . . . . . . . 18729 1 25 HNCACO no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_new_2 solution . . 1 $Standard . . . 4 $BRUKER_AVANCE_DMX-750 . . . . . . . . . . . . . . . . 18729 1 26 HNCO no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_new_2 solution . . 1 $Standard . . . 4 $BRUKER_AVANCE_DMX-750 . . . . . . . . . . . . . . . . 18729 1 27 HNCOCACB no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_new_2 solution . . 1 $Standard . . . 4 $BRUKER_AVANCE_DMX-750 . . . . . . . . . . . . . . . . 18729 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18729 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID 1 _NMR_spec_expt.Method_label $CNS _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18729 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 18729 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18729 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18729 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 18729 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard _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' 1 $15N isotropic 18729 1 2 '3D HNCACB' 2 $13C_15N isotropic 18729 1 3 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' 2 $13C_15N isotropic 18729 1 4 '3D HNCO' 2 $13C_15N isotropic 18729 1 5 '3D HBHA(CO)NH' 2 $13C_15N isotropic 18729 1 6 'HNCACO (HNcaCO)' 2 $13C_15N isotropic 18729 1 7 'HCCoNNH (HccoNH)' 2 $13C_15N isotropic 18729 1 8 '3D C(CO)NH' 2 $13C_15N isotropic 18729 1 9 '2D 1H-1H TOCSY' 2 $13C_15N isotropic 18729 1 10 '2D 1H-1H NOESY' 2 $13C_15N isotropic 18729 1 11 '2D 1H-13C HSQC/HMQC' 2 $13C_15N isotropic 18729 1 12 '2D 1H-13C HSQC/HMQC' 2 $13C_15N isotropic 18729 1 13 '2D 1H-15N HSQC/HMQC' 2 $13C_15N isotropic 18729 1 14 '13C HSQC-NOESY (H[{N|C}]_H.through-space)' 2 $13C_15N isotropic 18729 1 15 '15N HSQC-NOESY (H[{N|C}]_H.through-space)' 2 $13C_15N isotropic 18729 1 16 '2D 1H-1H NOESY' 2 $13C_15N isotropic 18729 1 17 '2D 1H-1H TOCSY' 2 $13C_15N isotropic 18729 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 SER HA H 1 3.975 . . 1 . . 330 . . 1 SER HA . 18729 1 2 . 1 1 1 1 SER HB2 H 1 3.972 . . 2 . . 334 . . 1 SER HB2 . 18729 1 3 . 1 1 1 1 SER HB3 H 1 3.949 . . 2 . . 332 . . 1 SER HB3 . 18729 1 4 . 1 1 1 1 SER CA C 13 57.957 . . 1 . . 331 . . 1 SER CA . 18729 1 5 . 1 1 1 1 SER CB C 13 64.309 . . 1 . . 333 . . 1 SER CB . 18729 1 6 . 1 1 2 2 GLU HA H 1 4.471 0.012 . 1 . . 234 . . 2 GLU HA . 18729 1 7 . 1 1 2 2 GLU HB2 H 1 1.932 0.008 . 2 . . 232 . . 2 GLU HB2 . 18729 1 8 . 1 1 2 2 GLU HB3 H 1 2.142 0.01 . 2 . . 233 . . 2 GLU HB3 . 18729 1 9 . 1 1 2 2 GLU HG2 H 1 2.317 0.01 . 1 . . 245 . . 2 GLU HG2 . 18729 1 10 . 1 1 2 2 GLU HG3 H 1 2.317 0.01 . 1 . . 246 . . 2 GLU HG3 . 18729 1 11 . 1 1 2 2 GLU C C 13 175.710 0.033 . 1 . . 154 . . 2 GLU C . 18729 1 12 . 1 1 2 2 GLU CA C 13 56.316 0.041 . 1 . . 153 . . 2 GLU CA . 18729 1 13 . 1 1 2 2 GLU CB C 13 30.322 0.167 . 1 . . 152 . . 2 GLU CB . 18729 1 14 . 1 1 2 2 GLU CG C 13 36.389 0.016 . 1 . . 276 . . 2 GLU CG . 18729 1 15 . 1 1 3 3 CYS H H 1 8.257 0.009 . 1 . . 54 . . 3 CYS H . 18729 1 16 . 1 1 3 3 CYS HA H 1 4.824 0.015 . 1 . . 231 . . 3 CYS HA . 18729 1 17 . 1 1 3 3 CYS HB2 H 1 3.121 0.012 . 2 . . 230 . . 3 CYS HB2 . 18729 1 18 . 1 1 3 3 CYS HB3 H 1 3.051 0.006 . 2 . . 229 . . 3 CYS HB3 . 18729 1 19 . 1 1 3 3 CYS C C 13 173.366 0.034 . 1 . . 151 . . 3 CYS C . 18729 1 20 . 1 1 3 3 CYS CA C 13 54.123 0.042 . 1 . . 111 . . 3 CYS CA . 18729 1 21 . 1 1 3 3 CYS CB C 13 41.531 0.047 . 1 . . 112 . . 3 CYS CB . 18729 1 22 . 1 1 3 3 CYS N N 15 118.068 0.056 . 1 . . 55 . . 3 CYS N . 18729 1 23 . 1 1 4 4 VAL H H 1 8.809 0.003 . 1 . . 42 . . 4 VAL H . 18729 1 24 . 1 1 4 4 VAL HA H 1 3.963 0.037 . 1 . . 228 . . 4 VAL HA . 18729 1 25 . 1 1 4 4 VAL HB H 1 2.143 0.011 . 1 . . 227 . . 4 VAL HB . 18729 1 26 . 1 1 4 4 VAL HG11 H 1 0.975 0.005 . 2 . . 247 . . 4 VAL HG11 . 18729 1 27 . 1 1 4 4 VAL HG12 H 1 0.975 0.005 . 2 . . 247 . . 4 VAL HG12 . 18729 1 28 . 1 1 4 4 VAL HG13 H 1 0.975 0.005 . 2 . . 247 . . 4 VAL HG13 . 18729 1 29 . 1 1 4 4 VAL HG21 H 1 1.197 0.007 . 2 . . 248 . . 4 VAL HG21 . 18729 1 30 . 1 1 4 4 VAL HG22 H 1 1.197 0.007 . 2 . . 248 . . 4 VAL HG22 . 18729 1 31 . 1 1 4 4 VAL HG23 H 1 1.197 0.007 . 2 . . 248 . . 4 VAL HG23 . 18729 1 32 . 1 1 4 4 VAL C C 13 175.171 0.016 . 1 . . 150 . . 4 VAL C . 18729 1 33 . 1 1 4 4 VAL CA C 13 64.326 0.167 . 1 . . 98 . . 4 VAL CA . 18729 1 34 . 1 1 4 4 VAL CB C 13 32.360 0.112 . 1 . . 99 . . 4 VAL CB . 18729 1 35 . 1 1 4 4 VAL CG1 C 13 22.152 0.046 . 2 . . 278 . . 4 VAL CG1 . 18729 1 36 . 1 1 4 4 VAL CG2 C 13 22.204 0.009 . 2 . . 277 . . 4 VAL CG2 . 18729 1 37 . 1 1 4 4 VAL N N 15 121.917 0.033 . 1 . . 43 . . 4 VAL N . 18729 1 38 . 1 1 5 5 GLU H H 1 8.996 0.006 . 1 . . 5 . . 5 GLU H . 18729 1 39 . 1 1 5 5 GLU HA H 1 4.103 0.008 . 1 . . 226 . . 5 GLU HA . 18729 1 40 . 1 1 5 5 GLU HB2 H 1 2.036 0.013 . 2 . . 224 . . 5 GLU HB2 . 18729 1 41 . 1 1 5 5 GLU HB3 H 1 2.218 0.009 . 2 . . 225 . . 5 GLU HB3 . 18729 1 42 . 1 1 5 5 GLU HG2 H 1 2.435 0.013 . 2 . . 250 . . 5 GLU HG2 . 18729 1 43 . 1 1 5 5 GLU HG3 H 1 2.358 0.008 . 2 . . 249 . . 5 GLU HG3 . 18729 1 44 . 1 1 5 5 GLU C C 13 175.240 0.012 . 1 . . 148 . . 5 GLU C . 18729 1 45 . 1 1 5 5 GLU CA C 13 56.165 0.058 . 1 . . 96 . . 5 GLU CA . 18729 1 46 . 1 1 5 5 GLU CB C 13 30.535 0.104 . 1 . . 97 . . 5 GLU CB . 18729 1 47 . 1 1 5 5 GLU CG C 13 35.965 0.01 . 1 . . 279 . . 5 GLU CG . 18729 1 48 . 1 1 5 5 GLU N N 15 129.835 0.038 . 1 . . 6 . . 5 GLU N . 18729 1 49 . 1 1 6 6 ASN H H 1 8.707 0.006 . 1 . . 63 . . 6 ASN H . 18729 1 50 . 1 1 6 6 ASN HA H 1 4.099 0.013 . 1 . . 223 . . 6 ASN HA . 18729 1 51 . 1 1 6 6 ASN HB2 H 1 2.861 0.008 . 2 . . 222 . . 6 ASN HB2 . 18729 1 52 . 1 1 6 6 ASN HB3 H 1 2.764 0.013 . 2 . . 221 . . 6 ASN HB3 . 18729 1 53 . 1 1 6 6 ASN HD21 H 1 7.618 0.004 . 1 . . 7 . . 6 ASN HD21 . 18729 1 54 . 1 1 6 6 ASN HD22 H 1 7.035 0.003 . 1 . . 11 . . 6 ASN HD22 . 18729 1 55 . 1 1 6 6 ASN C C 13 176.276 0.012 . 1 . . 147 . . 6 ASN C . 18729 1 56 . 1 1 6 6 ASN CA C 13 54.258 0.088 . 1 . . 69 . . 6 ASN CA . 18729 1 57 . 1 1 6 6 ASN CB C 13 37.346 0.112 . 1 . . 70 . . 6 ASN CB . 18729 1 58 . 1 1 6 6 ASN CG C 13 175.809 0.003 . 1 . . 149 . . 6 ASN CG . 18729 1 59 . 1 1 6 6 ASN N N 15 119.294 0.043 . 1 . . 64 . . 6 ASN N . 18729 1 60 . 1 1 6 6 ASN ND2 N 15 111.427 0.046 . 1 . . 8 . . 6 ASN ND2 . 18729 1 61 . 1 1 7 7 GLY H H 1 9.565 0.004 . 1 . . 50 . . 7 GLY H . 18729 1 62 . 1 1 7 7 GLY HA2 H 1 4.503 0.019 . 2 . . 220 . . 7 GLY HA2 . 18729 1 63 . 1 1 7 7 GLY HA3 H 1 3.843 0.019 . 2 . . 219 . . 7 GLY HA3 . 18729 1 64 . 1 1 7 7 GLY C C 13 174.901 0.019 . 1 . . 146 . . 7 GLY C . 18729 1 65 . 1 1 7 7 GLY CA C 13 44.750 0.059 . 1 . . 95 . . 7 GLY CA . 18729 1 66 . 1 1 7 7 GLY N N 15 113.151 0.033 . 1 . . 51 . . 7 GLY N . 18729 1 67 . 1 1 8 8 GLY H H 1 8.327 0.004 . 1 . . 28 . . 8 GLY H . 18729 1 68 . 1 1 8 8 GLY HA2 H 1 4.283 0.019 . 2 . . 218 . . 8 GLY HA2 . 18729 1 69 . 1 1 8 8 GLY HA3 H 1 3.572 0.008 . 2 . . 217 . . 8 GLY HA3 . 18729 1 70 . 1 1 8 8 GLY C C 13 171.720 0.053 . 1 . . 145 . . 8 GLY C . 18729 1 71 . 1 1 8 8 GLY CA C 13 44.675 0.082 . 1 . . 110 . . 8 GLY CA . 18729 1 72 . 1 1 8 8 GLY N N 15 108.221 0.026 . 1 . . 29 . . 8 GLY N . 18729 1 73 . 1 1 9 9 PHE H H 1 8.433 0.005 . 1 . . 36 . . 9 PHE H . 18729 1 74 . 1 1 9 9 PHE HA H 1 4.713 0.017 . 1 . . 216 . . 9 PHE HA . 18729 1 75 . 1 1 9 9 PHE HB2 H 1 3.386 0.011 . 2 . . 215 . . 9 PHE HB2 . 18729 1 76 . 1 1 9 9 PHE HB3 H 1 2.849 0.013 . 2 . . 214 . . 9 PHE HB3 . 18729 1 77 . 1 1 9 9 PHE HD1 H 1 7.283 0.027 . 3 . . 303 . . 9 PHE HD1 . 18729 1 78 . 1 1 9 9 PHE HD2 H 1 7.283 0.027 . 3 . . 303 . . 9 PHE HD2 . 18729 1 79 . 1 1 9 9 PHE HE1 H 1 7.347 0.004 . 3 . . 304 . . 9 PHE HE1 . 18729 1 80 . 1 1 9 9 PHE HE2 H 1 7.347 0.004 . 3 . . 304 . . 9 PHE HE2 . 18729 1 81 . 1 1 9 9 PHE HZ H 1 7.288 0.002 . 1 . . 305 . . 9 PHE HZ . 18729 1 82 . 1 1 9 9 PHE C C 13 174.200 0.029 . 1 . . 144 . . 9 PHE C . 18729 1 83 . 1 1 9 9 PHE CA C 13 58.589 0.056 . 1 . . 106 . . 9 PHE CA . 18729 1 84 . 1 1 9 9 PHE CB C 13 39.721 0.079 . 1 . . 107 . . 9 PHE CB . 18729 1 85 . 1 1 9 9 PHE CD1 C 13 131.684 . . 3 . . 316 . . 9 PHE CD1 . 18729 1 86 . 1 1 9 9 PHE CD2 C 13 131.684 . . 3 . . 316 . . 9 PHE CD2 . 18729 1 87 . 1 1 9 9 PHE CE1 C 13 131.692 . . 3 . . 317 . . 9 PHE CE1 . 18729 1 88 . 1 1 9 9 PHE CE2 C 13 131.692 . . 3 . . 317 . . 9 PHE CE2 . 18729 1 89 . 1 1 9 9 PHE CZ C 13 127.337 . . 1 . . 315 . . 9 PHE CZ . 18729 1 90 . 1 1 9 9 PHE N N 15 120.621 0.034 . 1 . . 37 . . 9 PHE N . 18729 1 91 . 1 1 10 10 CYS H H 1 6.938 0.006 . 1 . . 9 . . 10 CYS H . 18729 1 92 . 1 1 10 10 CYS HA H 1 4.506 0.008 . 1 . . 237 . . 10 CYS HA . 18729 1 93 . 1 1 10 10 CYS HB2 H 1 3.030 0.01 . 2 . . 238 . . 10 CYS HB2 . 18729 1 94 . 1 1 10 10 CYS HB3 H 1 2.935 0.008 . 2 . . 239 . . 10 CYS HB3 . 18729 1 95 . 1 1 10 10 CYS CA C 13 50.180 0.005 . 1 . . 109 . . 10 CYS CA . 18729 1 96 . 1 1 10 10 CYS CB C 13 46.707 0.011 . 1 . . 108 . . 10 CYS CB . 18729 1 97 . 1 1 10 10 CYS N N 15 122.563 0.038 . 1 . . 10 . . 10 CYS N . 18729 1 98 . 1 1 11 11 PRO HA H 1 4.081 0.007 . 1 . . 213 . . 11 PRO HA . 18729 1 99 . 1 1 11 11 PRO HB2 H 1 1.676 0.009 . 2 . . 211 . . 11 PRO HB2 . 18729 1 100 . 1 1 11 11 PRO HB3 H 1 1.949 0.005 . 2 . . 212 . . 11 PRO HB3 . 18729 1 101 . 1 1 11 11 PRO HG2 H 1 0.817 0.017 . 2 . . 285 . . 11 PRO HG2 . 18729 1 102 . 1 1 11 11 PRO HG3 H 1 0.711 0.012 . 2 . . 284 . . 11 PRO HG3 . 18729 1 103 . 1 1 11 11 PRO HD2 H 1 2.419 0.013 . 2 . . 281 . . 11 PRO HD2 . 18729 1 104 . 1 1 11 11 PRO HD3 H 1 2.669 0.008 . 2 . . 282 . . 11 PRO HD3 . 18729 1 105 . 1 1 11 11 PRO C C 13 173.972 0.024 . 1 . . 143 . . 11 PRO C . 18729 1 106 . 1 1 11 11 PRO CA C 13 60.876 0.082 . 1 . . 120 . . 11 PRO CA . 18729 1 107 . 1 1 11 11 PRO CB C 13 32.566 0.091 . 1 . . 121 . . 11 PRO CB . 18729 1 108 . 1 1 11 11 PRO CG C 13 25.897 0.007 . 1 . . 283 . . 11 PRO CG . 18729 1 109 . 1 1 11 11 PRO CD C 13 49.722 0.052 . 1 . . 280 . . 11 PRO CD . 18729 1 110 . 1 1 12 12 ASP H H 1 8.120 0.007 . 1 . . 14 . . 12 ASP H . 18729 1 111 . 1 1 12 12 ASP HA H 1 4.404 0.007 . 1 . . 240 . . 12 ASP HA . 18729 1 112 . 1 1 12 12 ASP HB2 H 1 2.569 0.008 . 2 . . 302 . . 12 ASP HB2 . 18729 1 113 . 1 1 12 12 ASP HB3 H 1 2.775 0.004 . 2 . . 301 . . 12 ASP HB3 . 18729 1 114 . 1 1 12 12 ASP C C 13 176.518 . . 1 . . 235 . . 12 ASP C . 18729 1 115 . 1 1 12 12 ASP CA C 13 52.537 0.014 . 1 . . 119 . . 12 ASP CA . 18729 1 116 . 1 1 12 12 ASP CB C 13 40.957 0.026 . 1 . . 118 . . 12 ASP CB . 18729 1 117 . 1 1 12 12 ASP N N 15 117.109 0.04 . 1 . . 15 . . 12 ASP N . 18729 1 118 . 1 1 13 13 PRO HA H 1 4.193 0.008 . 1 . . 208 . . 13 PRO HA . 18729 1 119 . 1 1 13 13 PRO HB2 H 1 2.033 0.02 . 1 . . 210 . . 13 PRO HB2 . 18729 1 120 . 1 1 13 13 PRO HB3 H 1 2.033 0.02 . 1 . . 209 . . 13 PRO HB3 . 18729 1 121 . 1 1 13 13 PRO HG2 H 1 2.082 0.001 . 2 . . 253 . . 13 PRO HG2 . 18729 1 122 . 1 1 13 13 PRO HG3 H 1 1.979 0.004 . 2 . . 254 . . 13 PRO HG3 . 18729 1 123 . 1 1 13 13 PRO HD2 H 1 3.855 0.012 . 1 . . 252 . . 13 PRO HD2 . 18729 1 124 . 1 1 13 13 PRO HD3 H 1 3.855 0.012 . 1 . . 251 . . 13 PRO HD3 . 18729 1 125 . 1 1 13 13 PRO C C 13 179.079 0.054 . 1 . . 142 . . 13 PRO C . 18729 1 126 . 1 1 13 13 PRO CA C 13 63.810 0.115 . 1 . . 116 . . 13 PRO CA . 18729 1 127 . 1 1 13 13 PRO CB C 13 31.935 0.122 . 1 . . 117 . . 13 PRO CB . 18729 1 128 . 1 1 13 13 PRO CG C 13 27.808 0.034 . 1 . . 286 . . 13 PRO CG . 18729 1 129 . 1 1 13 13 PRO CD C 13 51.720 0.057 . 1 . . 287 . . 13 PRO CD . 18729 1 130 . 1 1 14 14 GLU H H 1 8.741 0.004 . 1 . . 48 . . 14 GLU H . 18729 1 131 . 1 1 14 14 GLU HA H 1 4.104 0.011 . 1 . . 205 . . 14 GLU HA . 18729 1 132 . 1 1 14 14 GLU HB2 H 1 2.087 0.009 . 1 . . 207 . . 14 GLU HB2 . 18729 1 133 . 1 1 14 14 GLU HB3 H 1 2.087 0.009 . 1 . . 206 . . 14 GLU HB3 . 18729 1 134 . 1 1 14 14 GLU HG2 H 1 2.365 0.009 . 2 . . 256 . . 14 GLU HG2 . 18729 1 135 . 1 1 14 14 GLU HG3 H 1 2.268 0.008 . 2 . . 255 . . 14 GLU HG3 . 18729 1 136 . 1 1 14 14 GLU C C 13 177.349 0.026 . 1 . . 141 . . 14 GLU C . 18729 1 137 . 1 1 14 14 GLU CA C 13 58.721 0.082 . 1 . . 115 . . 14 GLU CA . 18729 1 138 . 1 1 14 14 GLU CB C 13 28.923 0.128 . 1 . . 114 . . 14 GLU CB . 18729 1 139 . 1 1 14 14 GLU CG C 13 36.709 0.015 . 1 . . 288 . . 14 GLU CG . 18729 1 140 . 1 1 14 14 GLU N N 15 119.901 0.033 . 1 . . 49 . . 14 GLU N . 18729 1 141 . 1 1 15 15 LYS H H 1 7.455 0.006 . 1 . . 18 . . 15 LYS H . 18729 1 142 . 1 1 15 15 LYS HA H 1 4.418 0.008 . 1 . . 204 . . 15 LYS HA . 18729 1 143 . 1 1 15 15 LYS HB2 H 1 1.824 0.024 . 2 . . 202 . . 15 LYS HB2 . 18729 1 144 . 1 1 15 15 LYS HB3 H 1 1.908 0.009 . 2 . . 203 . . 15 LYS HB3 . 18729 1 145 . 1 1 15 15 LYS HG2 H 1 1.417 0.009 . 2 . . 259 . . 15 LYS HG2 . 18729 1 146 . 1 1 15 15 LYS HG3 H 1 1.512 0.009 . 2 . . 260 . . 15 LYS HG3 . 18729 1 147 . 1 1 15 15 LYS HD2 H 1 1.726 0.014 . 1 . . 262 . . 15 LYS HD2 . 18729 1 148 . 1 1 15 15 LYS HD3 H 1 1.726 0.014 . 1 . . 261 . . 15 LYS HD3 . 18729 1 149 . 1 1 15 15 LYS HE2 H 1 3.036 0.007 . 1 . . 257 . . 15 LYS HE2 . 18729 1 150 . 1 1 15 15 LYS HE3 H 1 3.036 0.007 . 1 . . 258 . . 15 LYS HE3 . 18729 1 151 . 1 1 15 15 LYS C C 13 177.850 0.037 . 1 . . 139 . . 15 LYS C . 18729 1 152 . 1 1 15 15 LYS CA C 13 57.313 0.085 . 1 . . 113 . . 15 LYS CA . 18729 1 153 . 1 1 15 15 LYS CB C 13 34.082 0.11 . 1 . . 140 . . 15 LYS CB . 18729 1 154 . 1 1 15 15 LYS CG C 13 25.391 0.033 . 1 . . 291 . . 15 LYS CG . 18729 1 155 . 1 1 15 15 LYS CD C 13 29.042 0.01 . 1 . . 290 . . 15 LYS CD . 18729 1 156 . 1 1 15 15 LYS CE C 13 42.245 0.051 . 1 . . 289 . . 15 LYS CE . 18729 1 157 . 1 1 15 15 LYS N N 15 116.302 0.037 . 1 . . 19 . . 15 LYS N . 18729 1 158 . 1 1 16 16 MET H H 1 7.930 0.005 . 1 . . 38 . . 16 MET H . 18729 1 159 . 1 1 16 16 MET HA H 1 4.802 0.011 . 1 . . 201 . . 16 MET HA . 18729 1 160 . 1 1 16 16 MET HB2 H 1 1.734 0.013 . 2 . . 199 . . 16 MET HB2 . 18729 1 161 . 1 1 16 16 MET HB3 H 1 2.294 0.009 . 2 . . 200 . . 16 MET HB3 . 18729 1 162 . 1 1 16 16 MET HG2 H 1 2.492 0.007 . 2 . . 263 . . 16 MET HG2 . 18729 1 163 . 1 1 16 16 MET HG3 H 1 2.544 0.009 . 2 . . 264 . . 16 MET HG3 . 18729 1 164 . 1 1 16 16 MET HE1 H 1 2.198 0.0 . 1 . . 244 . . 16 MET HE1 . 18729 1 165 . 1 1 16 16 MET HE2 H 1 2.198 0.0 . 1 . . 244 . . 16 MET HE2 . 18729 1 166 . 1 1 16 16 MET HE3 H 1 2.198 0.0 . 1 . . 244 . . 16 MET HE3 . 18729 1 167 . 1 1 16 16 MET C C 13 177.323 0.028 . 1 . . 138 . . 16 MET C . 18729 1 168 . 1 1 16 16 MET CA C 13 55.059 0.087 . 1 . . 83 . . 16 MET CA . 18729 1 169 . 1 1 16 16 MET CB C 13 33.928 0.089 . 1 . . 82 . . 16 MET CB . 18729 1 170 . 1 1 16 16 MET CG C 13 32.906 0.005 . 1 . . 292 . . 16 MET CG . 18729 1 171 . 1 1 16 16 MET CE C 13 17.352 0.004 . 1 . . 243 . . 16 MET CE . 18729 1 172 . 1 1 16 16 MET N N 15 114.912 0.042 . 1 . . 39 . . 16 MET N . 18729 1 173 . 1 1 17 17 GLY H H 1 7.661 0.005 . 1 . . 20 . . 17 GLY H . 18729 1 174 . 1 1 17 17 GLY HA2 H 1 3.819 0.014 . 2 . . 156 . . 17 GLY HA2 . 18729 1 175 . 1 1 17 17 GLY HA3 H 1 4.404 0.02 . 2 . . 157 . . 17 GLY HA3 . 18729 1 176 . 1 1 17 17 GLY C C 13 171.801 0.093 . 1 . . 137 . . 17 GLY C . 18729 1 177 . 1 1 17 17 GLY CA C 13 44.435 0.054 . 1 . . 81 . . 17 GLY CA . 18729 1 178 . 1 1 17 17 GLY N N 15 109.260 0.038 . 1 . . 21 . . 17 GLY N . 18729 1 179 . 1 1 18 18 ASP H H 1 8.608 0.005 . 1 . . 56 . . 18 ASP H . 18729 1 180 . 1 1 18 18 ASP HA H 1 4.882 0.016 . 1 . . 198 . . 18 ASP HA . 18729 1 181 . 1 1 18 18 ASP HB2 H 1 2.350 0.007 . 2 . . 196 . . 18 ASP HB2 . 18729 1 182 . 1 1 18 18 ASP HB3 H 1 3.141 0.01 . 2 . . 197 . . 18 ASP HB3 . 18729 1 183 . 1 1 18 18 ASP C C 13 177.621 0.037 . 1 . . 136 . . 18 ASP C . 18729 1 184 . 1 1 18 18 ASP CA C 13 53.636 0.039 . 1 . . 80 . . 18 ASP CA . 18729 1 185 . 1 1 18 18 ASP CB C 13 41.929 0.078 . 1 . . 79 . . 18 ASP CB . 18729 1 186 . 1 1 18 18 ASP N N 15 119.882 0.04 . 1 . . 57 . . 18 ASP N . 18729 1 187 . 1 1 19 19 TRP H H 1 8.223 0.003 . 1 . . 46 . . 19 TRP H . 18729 1 188 . 1 1 19 19 TRP HA H 1 4.878 0.013 . 1 . . 195 . . 19 TRP HA . 18729 1 189 . 1 1 19 19 TRP HB2 H 1 3.045 0.008 . 2 . . 193 . . 19 TRP HB2 . 18729 1 190 . 1 1 19 19 TRP HB3 H 1 3.619 0.014 . 2 . . 194 . . 19 TRP HB3 . 18729 1 191 . 1 1 19 19 TRP HD1 H 1 6.885 0.003 . 1 . . 300 . . 19 TRP HD1 . 18729 1 192 . 1 1 19 19 TRP HE1 H 1 9.816 0.002 . 1 . . 32 . . 19 TRP HE1 . 18729 1 193 . 1 1 19 19 TRP HE3 H 1 7.624 0.005 . 1 . . 309 . . 19 TRP HE3 . 18729 1 194 . 1 1 19 19 TRP HZ2 H 1 7.548 0.013 . 1 . . 306 . . 19 TRP HZ2 . 18729 1 195 . 1 1 19 19 TRP HZ3 H 1 7.228 0.006 . 1 . . 312 . . 19 TRP HZ3 . 18729 1 196 . 1 1 19 19 TRP HH2 H 1 7.343 0.009 . 1 . . 311 . . 19 TRP HH2 . 18729 1 197 . 1 1 19 19 TRP C C 13 177.238 0.063 . 1 . . 135 . . 19 TRP C . 18729 1 198 . 1 1 19 19 TRP CA C 13 55.732 0.111 . 1 . . 77 . . 19 TRP CA . 18729 1 199 . 1 1 19 19 TRP CB C 13 30.153 0.125 . 1 . . 78 . . 19 TRP CB . 18729 1 200 . 1 1 19 19 TRP CD1 C 13 124.644 . . 1 . . 308 . . 19 TRP CD1 . 18729 1 201 . 1 1 19 19 TRP CE3 C 13 121.011 . . 1 . . 310 . . 19 TRP CE3 . 18729 1 202 . 1 1 19 19 TRP CZ2 C 13 114.542 . . 1 . . 307 . . 19 TRP CZ2 . 18729 1 203 . 1 1 19 19 TRP CZ3 C 13 122.221 . . 1 . . 314 . . 19 TRP CZ3 . 18729 1 204 . 1 1 19 19 TRP CH2 C 13 125.008 . . 1 . . 313 . . 19 TRP CH2 . 18729 1 205 . 1 1 19 19 TRP N N 15 126.897 0.042 . 1 . . 47 . . 19 TRP N . 18729 1 206 . 1 1 19 19 TRP NE1 N 15 127.222 0.05 . 1 . . 33 . . 19 TRP NE1 . 18729 1 207 . 1 1 20 20 CYS H H 1 9.447 0.004 . 1 . . 30 . . 20 CYS H . 18729 1 208 . 1 1 20 20 CYS HA H 1 4.850 0.015 . 1 . . 192 . . 20 CYS HA . 18729 1 209 . 1 1 20 20 CYS HB2 H 1 3.035 0.009 . 2 . . 191 . . 20 CYS HB2 . 18729 1 210 . 1 1 20 20 CYS HB3 H 1 2.696 0.009 . 2 . . 190 . . 20 CYS HB3 . 18729 1 211 . 1 1 20 20 CYS C C 13 175.440 0.019 . 1 . . 134 . . 20 CYS C . 18729 1 212 . 1 1 20 20 CYS CA C 13 55.355 0.037 . 1 . . 75 . . 20 CYS CA . 18729 1 213 . 1 1 20 20 CYS CB C 13 36.644 0.057 . 1 . . 76 . . 20 CYS CB . 18729 1 214 . 1 1 20 20 CYS N N 15 120.752 0.037 . 1 . . 31 . . 20 CYS N . 18729 1 215 . 1 1 21 21 CYS H H 1 9.261 0.003 . 1 . . 3 . . 21 CYS H . 18729 1 216 . 1 1 21 21 CYS HA H 1 4.557 0.013 . 1 . . 189 . . 21 CYS HA . 18729 1 217 . 1 1 21 21 CYS HB2 H 1 2.735 0.009 . 2 . . 187 . . 21 CYS HB2 . 18729 1 218 . 1 1 21 21 CYS HB3 H 1 3.266 0.015 . 2 . . 188 . . 21 CYS HB3 . 18729 1 219 . 1 1 21 21 CYS C C 13 176.823 0.043 . 1 . . 133 . . 21 CYS C . 18729 1 220 . 1 1 21 21 CYS CA C 13 57.093 0.055 . 1 . . 74 . . 21 CYS CA . 18729 1 221 . 1 1 21 21 CYS CB C 13 38.789 0.093 . 1 . . 73 . . 21 CYS CB . 18729 1 222 . 1 1 21 21 CYS N N 15 122.649 0.036 . 1 . . 4 . . 21 CYS N . 18729 1 223 . 1 1 22 22 GLY H H 1 8.881 0.005 . 1 . . 16 . . 22 GLY H . 18729 1 224 . 1 1 22 22 GLY HA2 H 1 3.811 0.014 . 2 . . 185 . . 22 GLY HA2 . 18729 1 225 . 1 1 22 22 GLY HA3 H 1 4.255 0.016 . 2 . . 186 . . 22 GLY HA3 . 18729 1 226 . 1 1 22 22 GLY C C 13 172.049 0.054 . 1 . . 132 . . 22 GLY C . 18729 1 227 . 1 1 22 22 GLY CA C 13 44.725 0.032 . 1 . . 72 . . 22 GLY CA . 18729 1 228 . 1 1 22 22 GLY N N 15 109.391 0.044 . 1 . . 17 . . 22 GLY N . 18729 1 229 . 1 1 23 23 ARG H H 1 9.152 0.006 . 1 . . 52 . . 23 ARG H . 18729 1 230 . 1 1 23 23 ARG HA H 1 4.850 0.014 . 1 . . 182 . . 23 ARG HA . 18729 1 231 . 1 1 23 23 ARG HB2 H 1 1.653 0.007 . 1 . . 183 . . 23 ARG HB2 . 18729 1 232 . 1 1 23 23 ARG HB3 H 1 1.653 0.007 . 1 . . 184 . . 23 ARG HB3 . 18729 1 233 . 1 1 23 23 ARG HG2 H 1 1.558 0.002 . 2 . . 323 . . 23 ARG HG2 . 18729 1 234 . 1 1 23 23 ARG HG3 H 1 1.535 0.016 . 2 . . 321 . . 23 ARG HG3 . 18729 1 235 . 1 1 23 23 ARG HD2 H 1 3.215 0.009 . 1 . . 265 . . 23 ARG HD2 . 18729 1 236 . 1 1 23 23 ARG HD3 H 1 3.215 0.009 . 1 . . 266 . . 23 ARG HD3 . 18729 1 237 . 1 1 23 23 ARG C C 13 174.040 0.015 . 1 . . 130 . . 23 ARG C . 18729 1 238 . 1 1 23 23 ARG CA C 13 54.281 0.062 . 1 . . 102 . . 23 ARG CA . 18729 1 239 . 1 1 23 23 ARG CB C 13 34.533 0.135 . 1 . . 101 . . 23 ARG CB . 18729 1 240 . 1 1 23 23 ARG CG C 13 26.680 0.007 . 1 . . 322 . . 23 ARG CG . 18729 1 241 . 1 1 23 23 ARG CD C 13 43.745 0.051 . 1 . . 297 . . 23 ARG CD . 18729 1 242 . 1 1 23 23 ARG N N 15 125.358 0.029 . 1 . . 53 . . 23 ARG N . 18729 1 243 . 1 1 24 24 CYS H H 1 10.614 0.005 . 1 . . 40 . . 24 CYS H . 18729 1 244 . 1 1 24 24 CYS HA H 1 4.700 0.015 . 1 . . 179 . . 24 CYS HA . 18729 1 245 . 1 1 24 24 CYS HB2 H 1 3.447 0.012 . 2 . . 181 . . 24 CYS HB2 . 18729 1 246 . 1 1 24 24 CYS HB3 H 1 2.698 0.016 . 2 . . 180 . . 24 CYS HB3 . 18729 1 247 . 1 1 24 24 CYS C C 13 174.769 0.037 . 1 . . 129 . . 24 CYS C . 18729 1 248 . 1 1 24 24 CYS CA C 13 56.775 0.061 . 1 . . 100 . . 24 CYS CA . 18729 1 249 . 1 1 24 24 CYS CB C 13 39.197 0.075 . 1 . . 103 . . 24 CYS CB . 18729 1 250 . 1 1 24 24 CYS N N 15 127.205 0.047 . 1 . . 41 . . 24 CYS N . 18729 1 251 . 1 1 25 25 ILE H H 1 8.765 0.005 . 1 . . 12 . . 25 ILE H . 18729 1 252 . 1 1 25 25 ILE HA H 1 4.296 0.011 . 1 . . 177 . . 25 ILE HA . 18729 1 253 . 1 1 25 25 ILE HB H 1 1.778 0.009 . 1 . . 178 . . 25 ILE HB . 18729 1 254 . 1 1 25 25 ILE HG12 H 1 1.420 0.01 . 2 . . 327 . . 25 ILE HG12 . 18729 1 255 . 1 1 25 25 ILE HG13 H 1 1.116 0.009 . 2 . . 328 . . 25 ILE HG13 . 18729 1 256 . 1 1 25 25 ILE HG21 H 1 0.889 0.01 . 1 . . 268 . . 25 ILE HG21 . 18729 1 257 . 1 1 25 25 ILE HG22 H 1 0.889 0.01 . 1 . . 268 . . 25 ILE HG22 . 18729 1 258 . 1 1 25 25 ILE HG23 H 1 0.889 0.01 . 1 . . 268 . . 25 ILE HG23 . 18729 1 259 . 1 1 25 25 ILE HD11 H 1 0.794 0.01 . 1 . . 267 . . 25 ILE HD11 . 18729 1 260 . 1 1 25 25 ILE HD12 H 1 0.794 0.01 . 1 . . 267 . . 25 ILE HD12 . 18729 1 261 . 1 1 25 25 ILE HD13 H 1 0.794 0.01 . 1 . . 267 . . 25 ILE HD13 . 18729 1 262 . 1 1 25 25 ILE C C 13 175.188 0.012 . 1 . . 155 . . 25 ILE C . 18729 1 263 . 1 1 25 25 ILE CA C 13 60.278 0.106 . 1 . . 105 . . 25 ILE CA . 18729 1 264 . 1 1 25 25 ILE CB C 13 39.611 0.075 . 1 . . 104 . . 25 ILE CB . 18729 1 265 . 1 1 25 25 ILE CG1 C 13 26.563 0.004 . 1 . . 329 . . 25 ILE CG1 . 18729 1 266 . 1 1 25 25 ILE CG2 C 13 17.079 0.133 . 1 . . 294 . . 25 ILE CG2 . 18729 1 267 . 1 1 25 25 ILE CD1 C 13 12.165 0.089 . 1 . . 293 . . 25 ILE CD1 . 18729 1 268 . 1 1 25 25 ILE N N 15 132.507 0.026 . 1 . . 13 . . 25 ILE N . 18729 1 269 . 1 1 26 26 ARG H H 1 9.276 0.008 . 1 . . 26 . . 26 ARG H . 18729 1 270 . 1 1 26 26 ARG HA H 1 3.784 0.006 . 1 . . 173 . . 26 ARG HA . 18729 1 271 . 1 1 26 26 ARG HB2 H 1 1.838 0.009 . 2 . . 174 . . 26 ARG HB2 . 18729 1 272 . 1 1 26 26 ARG HB3 H 1 2.000 0.009 . 2 . . 176 . . 26 ARG HB3 . 18729 1 273 . 1 1 26 26 ARG HG2 H 1 1.640 0.009 . 2 . . 175 . . 26 ARG HG2 . 18729 1 274 . 1 1 26 26 ARG HG3 H 1 1.680 0.014 . 2 . . 271 . . 26 ARG HG3 . 18729 1 275 . 1 1 26 26 ARG HD2 H 1 3.223 0.005 . 2 . . 270 . . 26 ARG HD2 . 18729 1 276 . 1 1 26 26 ARG HD3 H 1 3.290 0.009 . 2 . . 269 . . 26 ARG HD3 . 18729 1 277 . 1 1 26 26 ARG C C 13 175.535 0.021 . 1 . . 127 . . 26 ARG C . 18729 1 278 . 1 1 26 26 ARG CA C 13 57.597 0.063 . 1 . . 93 . . 26 ARG CA . 18729 1 279 . 1 1 26 26 ARG CB C 13 27.667 0.112 . 1 . . 94 . . 26 ARG CB . 18729 1 280 . 1 1 26 26 ARG CG C 13 28.053 0.014 . 1 . . 296 . . 26 ARG CG . 18729 1 281 . 1 1 26 26 ARG CD C 13 43.469 0.018 . 1 . . 295 . . 26 ARG CD . 18729 1 282 . 1 1 26 26 ARG N N 15 128.844 0.042 . 1 . . 27 . . 26 ARG N . 18729 1 283 . 1 1 27 27 ASN H H 1 8.370 0.008 . 1 . . 1 . . 27 ASN H . 18729 1 284 . 1 1 27 27 ASN HA H 1 4.337 0.01 . 1 . . 170 . . 27 ASN HA . 18729 1 285 . 1 1 27 27 ASN HB2 H 1 3.284 0.006 . 2 . . 171 . . 27 ASN HB2 . 18729 1 286 . 1 1 27 27 ASN HB3 H 1 2.916 0.017 . 2 . . 172 . . 27 ASN HB3 . 18729 1 287 . 1 1 27 27 ASN HD21 H 1 6.853 0.002 . 1 . . 65 . . 27 ASN HD21 . 18729 1 288 . 1 1 27 27 ASN HD22 H 1 7.995 0.003 . 1 . . 34 . . 27 ASN HD22 . 18729 1 289 . 1 1 27 27 ASN C C 13 174.065 0.032 . 1 . . 126 . . 27 ASN C . 18729 1 290 . 1 1 27 27 ASN CA C 13 57.373 0.091 . 1 . . 91 . . 27 ASN CA . 18729 1 291 . 1 1 27 27 ASN CB C 13 37.954 0.135 . 1 . . 92 . . 27 ASN CB . 18729 1 292 . 1 1 27 27 ASN CG C 13 180.770 0.002 . 1 . . 128 . . 27 ASN CG . 18729 1 293 . 1 1 27 27 ASN N N 15 106.094 0.029 . 1 . . 2 . . 27 ASN N . 18729 1 294 . 1 1 27 27 ASN ND2 N 15 108.095 0.065 . 1 . . 35 . . 27 ASN ND2 . 18729 1 295 . 1 1 28 28 GLU H H 1 7.874 0.005 . 1 . . 22 . . 28 GLU H . 18729 1 296 . 1 1 28 28 GLU HA H 1 5.048 0.007 . 1 . . 167 . . 28 GLU HA . 18729 1 297 . 1 1 28 28 GLU HB2 H 1 1.910 0.015 . 1 . . 169 . . 28 GLU HB2 . 18729 1 298 . 1 1 28 28 GLU HB3 H 1 1.910 0.015 . 1 . . 168 . . 28 GLU HB3 . 18729 1 299 . 1 1 28 28 GLU HG2 H 1 2.172 0.009 . 1 . . 273 . . 28 GLU HG2 . 18729 1 300 . 1 1 28 28 GLU HG3 H 1 2.172 0.009 . 1 . . 272 . . 28 GLU HG3 . 18729 1 301 . 1 1 28 28 GLU C C 13 175.907 0.011 . 1 . . 125 . . 28 GLU C . 18729 1 302 . 1 1 28 28 GLU CA C 13 54.730 0.046 . 1 . . 89 . . 28 GLU CA . 18729 1 303 . 1 1 28 28 GLU CB C 13 33.800 0.117 . 1 . . 90 . . 28 GLU CB . 18729 1 304 . 1 1 28 28 GLU CG C 13 37.036 0.01 . 1 . . 298 . . 28 GLU CG . 18729 1 305 . 1 1 28 28 GLU N N 15 121.256 0.04 . 1 . . 23 . . 28 GLU N . 18729 1 306 . 1 1 29 29 CYS H H 1 8.993 0.005 . 1 . . 61 . . 29 CYS H . 18729 1 307 . 1 1 29 29 CYS HA H 1 5.261 0.007 . 1 . . 164 . . 29 CYS HA . 18729 1 308 . 1 1 29 29 CYS HB2 H 1 3.670 0.008 . 2 . . 165 . . 29 CYS HB2 . 18729 1 309 . 1 1 29 29 CYS HB3 H 1 2.760 0.006 . 2 . . 166 . . 29 CYS HB3 . 18729 1 310 . 1 1 29 29 CYS C C 13 176.269 0.025 . 1 . . 124 . . 29 CYS C . 18729 1 311 . 1 1 29 29 CYS CA C 13 53.541 0.057 . 1 . . 88 . . 29 CYS CA . 18729 1 312 . 1 1 29 29 CYS CB C 13 36.016 0.077 . 1 . . 87 . . 29 CYS CB . 18729 1 313 . 1 1 29 29 CYS N N 15 125.101 0.026 . 1 . . 62 . . 29 CYS N . 18729 1 314 . 1 1 30 30 ARG H H 1 9.617 0.005 . 1 . . 59 . . 30 ARG H . 18729 1 315 . 1 1 30 30 ARG HA H 1 4.760 0.015 . 1 . . 161 . . 30 ARG HA . 18729 1 316 . 1 1 30 30 ARG HB2 H 1 1.772 0.009 . 2 . . 162 . . 30 ARG HB2 . 18729 1 317 . 1 1 30 30 ARG HB3 H 1 2.080 0.005 . 2 . . 163 . . 30 ARG HB3 . 18729 1 318 . 1 1 30 30 ARG HG2 H 1 1.763 0.0 . 1 . . 324 . . 30 ARG HG2 . 18729 1 319 . 1 1 30 30 ARG HG3 H 1 1.763 0.0 . 1 . . 326 . . 30 ARG HG3 . 18729 1 320 . 1 1 30 30 ARG HD2 H 1 3.264 0.009 . 2 . . 274 . . 30 ARG HD2 . 18729 1 321 . 1 1 30 30 ARG HD3 H 1 3.189 0.008 . 2 . . 275 . . 30 ARG HD3 . 18729 1 322 . 1 1 30 30 ARG C C 13 175.247 0.006 . 1 . . 123 . . 30 ARG C . 18729 1 323 . 1 1 30 30 ARG CA C 13 53.908 0.019 . 1 . . 86 . . 30 ARG CA . 18729 1 324 . 1 1 30 30 ARG CB C 13 34.280 0.124 . 1 . . 85 . . 30 ARG CB . 18729 1 325 . 1 1 30 30 ARG CG C 13 26.827 0.014 . 1 . . 325 . . 30 ARG CG . 18729 1 326 . 1 1 30 30 ARG CD C 13 43.360 0.012 . 1 . . 299 . . 30 ARG CD . 18729 1 327 . 1 1 30 30 ARG N N 15 125.154 0.038 . 1 . . 60 . . 30 ARG N . 18729 1 328 . 1 1 31 31 ASN H H 1 8.697 0.007 . 1 . . 24 . . 31 ASN H . 18729 1 329 . 1 1 31 31 ASN HA H 1 4.563 0.01 . 1 . . 158 . . 31 ASN HA . 18729 1 330 . 1 1 31 31 ASN HB2 H 1 2.841 0.011 . 2 . . 159 . . 31 ASN HB2 . 18729 1 331 . 1 1 31 31 ASN HB3 H 1 2.950 0.01 . 2 . . 160 . . 31 ASN HB3 . 18729 1 332 . 1 1 31 31 ASN HD21 H 1 7.641 0.007 . 1 . . 58 . . 31 ASN HD21 . 18729 1 333 . 1 1 31 31 ASN HD22 H 1 7.022 0.004 . 1 . . 67 . . 31 ASN HD22 . 18729 1 334 . 1 1 31 31 ASN C C 13 175.072 0.024 . 1 . . 122 . . 31 ASN C . 18729 1 335 . 1 1 31 31 ASN CA C 13 54.820 0.058 . 1 . . 68 . . 31 ASN CA . 18729 1 336 . 1 1 31 31 ASN CB C 13 38.255 0.074 . 1 . . 71 . . 31 ASN CB . 18729 1 337 . 1 1 31 31 ASN CG C 13 177.318 0.001 . 1 . . 131 . . 31 ASN CG . 18729 1 338 . 1 1 31 31 ASN N N 15 115.776 0.057 . 1 . . 25 . . 31 ASN N . 18729 1 339 . 1 1 31 31 ASN ND2 N 15 112.800 0.018 . 1 . . 66 . . 31 ASN ND2 . 18729 1 340 . 1 1 32 32 GLY H H 1 8.421 0.009 . 1 . . 44 . . 32 GLY H . 18729 1 341 . 1 1 32 32 GLY HA2 H 1 3.761 0.008 . 2 . . 241 . . 32 GLY HA2 . 18729 1 342 . 1 1 32 32 GLY HA3 H 1 3.531 0.012 . 2 . . 242 . . 32 GLY HA3 . 18729 1 343 . 1 1 32 32 GLY C C 13 178.493 . . 1 . . 236 . . 32 GLY C . 18729 1 344 . 1 1 32 32 GLY CA C 13 46.102 0.036 . 1 . . 84 . . 32 GLY CA . 18729 1 345 . 1 1 32 32 GLY N N 15 114.585 0.026 . 1 . . 45 . . 32 GLY N . 18729 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 18729 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _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 . . H 1 1H . . 3710.93750000 . . . . . . . 18729 1 2 . . N 15 15N . . 3039.51848551 . . . . . . . 18729 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 1 2 1.0 . . 18729 1 3 1.0 . . 18729 1 4 1.0 . . 18729 1 5 1.0 . . 18729 1 6 1.0 . . 18729 1 7 1.0 . . 18729 1 8 1.0 . . 18729 1 9 1.0 . . 18729 1 10 1.0 . . 18729 1 11 1.0 . . 18729 1 12 1.0 . . 18729 1 13 1.0 . . 18729 1 14 1.0 . . 18729 1 15 1.0 . . 18729 1 16 1.0 . . 18729 1 17 1.0 . . 18729 1 18 1.0 . . 18729 1 19 1.0 . . 18729 1 20 1.0 . . 18729 1 21 1.0 . . 18729 1 22 1.0 . . 18729 1 23 1.0 . . 18729 1 24 1.0 . . 18729 1 25 1.0 . . 18729 1 26 1.0 . . 18729 1 27 1.0 . . 18729 1 28 1.0 . . 18729 1 29 1.0 . . 18729 1 30 1.0 . . 18729 1 31 1.0 . . 18729 1 32 1.0 . . 18729 1 33 1.0 . . 18729 1 34 1.0 . . 18729 1 35 1.0 . . 18729 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 30882.1289062 . height 18729 1 1 268081.4648440 . volume 18729 1 2 45604.3125000 . height 18729 1 2 395601.6757810 . volume 18729 1 3 23941.1230469 . height 18729 1 3 210161.4511720 . volume 18729 1 4 28811.6230469 . height 18729 1 4 249019.7226560 . volume 18729 1 5 15757.1660156 . height 18729 1 5 137653.8261720 . volume 18729 1 6 36910.2968750 . height 18729 1 6 320559.0468750 . volume 18729 1 7 28749.9960938 . height 18729 1 7 249857.9550780 . volume 18729 1 8 29169.4746094 . height 18729 1 8 253076.4472660 . volume 18729 1 9 30019.9648438 . height 18729 1 9 259981.4726560 . volume 18729 1 10 37317.3906250 . height 18729 1 10 323402.6835940 . volume 18729 1 11 12538.8476562 . height 18729 1 11 109271.3574220 . volume 18729 1 12 40029.7695312 . height 18729 1 12 347460.5781250 . volume 18729 1 13 26000.1054688 . height 18729 1 13 225631.6601560 . volume 18729 1 14 31286.4550781 . height 18729 1 14 271845.2949220 . volume 18729 1 15 39240.9375000 . height 18729 1 15 340620.3671880 . volume 18729 1 16 61195.7187500 . height 18729 1 16 530967.6601560 . volume 18729 1 17 55383.5664062 . height 18729 1 17 483118.3750000 . volume 18729 1 18 59188.8984375 . height 18729 1 18 513822.1601560 . volume 18729 1 19 61192.6718750 . height 18729 1 19 531780.3281250 . volume 18729 1 20 46732.2421875 . height 18729 1 20 405082.6796880 . volume 18729 1 21 59139.8007812 . height 18729 1 21 514515.9062500 . volume 18729 1 22 39227.4687500 . height 18729 1 22 342171.0429690 . volume 18729 1 23 53686.3593750 . height 18729 1 23 467603.7851560 . volume 18729 1 24 37843.9453125 . height 18729 1 24 329941.6210940 . volume 18729 1 25 33727.4375000 . height 18729 1 25 293152.9921880 . volume 18729 1 26 58214.6953125 . height 18729 1 26 513390.8476560 . volume 18729 1 27 56615.4062500 . height 18729 1 27 494060.6367190 . volume 18729 1 28 46412.0390625 . height 18729 1 28 404056.5664060 . volume 18729 1 29 31136.3437500 . height 18729 1 29 270209.1406250 . volume 18729 1 30 33864.4804688 . height 18729 1 30 294468.9101560 . volume 18729 1 31 43615.1640625 . height 18729 1 31 378675.8710940 . volume 18729 1 32 35172.5390625 . height 18729 1 32 305571.9824220 . volume 18729 1 33 19777.7089844 . height 18729 1 33 173211.6914060 . volume 18729 1 34 14457.6406250 . height 18729 1 34 125465.4980470 . volume 18729 1 35 31218.6796875 . height 18729 1 35 271022.3398440 . volume 18729 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 8.775 . 30.4624438286 . . . . . . . . . . 1 18729 1 1 2 132.525 . 29.7307170215 . . . . . . . . . . 1 18729 1 2 1 8.996 . 29.2355194688 . . . . . . . . . . 1 18729 1 2 2 129.839 . 29.9949526200 . . . . . . . . . . 1 18729 1 3 1 9.273 . 38.9192253351 . . . . . . . . . . 1 18729 1 3 2 128.824 . 35.1488602693 . . . . . . . . . . 1 18729 1 4 1 9.818 . 27.9206782579 . . . . . . . . . . 1 18729 1 4 2 127.272 . 28.3045513503 . . . . . . . . . . 1 18729 1 5 1 10.622 . 35.2589413524 . . . . . . . . . . 1 18729 1 5 2 127.240 . 32.5351290525 . . . . . . . . . . 1 18729 1 6 1 8.224 . 29.7158956528 . . . . . . . . . . 1 18729 1 6 2 126.905 . 30.8737148899 . . . . . . . . . . 1 18729 1 7 1 9.150 . 31.5766781569 . . . . . . . . . . 1 18729 1 7 2 125.362 . 30.1600885460 . . . . . . . . . . 1 18729 1 8 1 9.625 . 29.6073034406 . . . . . . . . . . 1 18729 1 8 2 125.170 . 29.8093445496 . . . . . . . . . . 1 18729 1 9 1 8.997 . 28.1343236566 . . . . . . . . . . 1 18729 1 9 2 125.104 . 30.4383647745 . . . . . . . . . . 1 18729 1 10 1 9.262 . 28.7901610136 . . . . . . . . . . 1 18729 1 10 2 122.657 . 29.9375219140 . . . . . . . . . . 1 18729 1 11 1 6.947 . 32.4048101902 . . . . . . . . . . 1 18729 1 11 2 122.607 . 31.9441544057 . . . . . . . . . . 1 18729 1 12 1 8.812 . 30.0236046314 . . . . . . . . . . 1 18729 1 12 2 121.933 . 29.6933055364 . . . . . . . . . . 1 18729 1 13 1 7.880 . 30.1007181406 . . . . . . . . . . 1 18729 1 13 2 121.282 . 30.0525644955 . . . . . . . . . . 1 18729 1 14 1 9.449 . 30.1353633404 . . . . . . . . . . 1 18729 1 14 2 120.773 . 31.0448294067 . . . . . . . . . . 1 18729 1 15 1 8.433 . 29.9360603094 . . . . . . . . . . 1 18729 1 15 2 120.636 . 30.4565723012 . . . . . . . . . . 1 18729 1 16 1 8.747 . 29.5791774988 . . . . . . . . . . 1 18729 1 16 2 119.920 . 30.0308241651 . . . . . . . . . . 1 18729 1 17 1 8.604 . 34.2551618814 . . . . . . . . . . 1 18729 1 17 2 119.913 . 31.5189497778 . . . . . . . . . . 1 18729 1 18 1 8.702 . 30.6483358145 . . . . . . . . . . 1 18729 1 18 2 119.287 . 29.7467505151 . . . . . . . . . . 1 18729 1 19 1 8.238 . 31.2186777592 . . . . . . . . . . 1 18729 1 19 2 117.947 . 29.9378842528 . . . . . . . . . . 1 18729 1 20 1 8.120 . 29.1388481855 . . . . . . . . . . 1 18729 1 20 2 117.111 . 29.6519989087 . . . . . . . . . . 1 18729 1 21 1 7.462 . 31.4377248287 . . . . . . . . . . 1 18729 1 21 2 116.341 . 30.6527787826 . . . . . . . . . . 1 18729 1 22 1 8.693 . 32.4063003063 . . . . . . . . . . 1 18729 1 22 2 115.853 . 33.2063617521 . . . . . . . . . . 1 18729 1 23 1 7.934 . 32.8253954649 . . . . . . . . . . 1 18729 1 23 2 114.938 . 30.5511427382 . . . . . . . . . . 1 18729 1 24 1 8.411 . 33.4873795509 . . . . . . . . . . 1 18729 1 24 2 114.603 . 30.7651038228 . . . . . . . . . . 1 18729 1 25 1 9.570 . 31.0461968184 . . . . . . . . . . 1 18729 1 25 2 113.185 . 30.1058283048 . . . . . . . . . . 1 18729 1 26 1 7.647 . 39.3869355321 . . . . . . . . . . 1 18729 1 26 2 112.787 . 44.2490002166 . . . . . . . . . . 1 18729 1 27 1 7.021 . 31.1300158501 . . . . . . . . . . 1 18729 1 27 2 112.790 . 38.1336264575 . . . . . . . . . . 1 18729 1 28 1 7.617 . 30.4959714413 . . . . . . . . . . 1 18729 1 28 2 111.409 . 33.4904354021 . . . . . . . . . . 1 18729 1 29 1 7.030 . 30.3879380226 . . . . . . . . . . 1 18729 1 29 2 111.403 . 29.3842305065 . . . . . . . . . . 1 18729 1 30 1 8.886 . 31.6701829433 . . . . . . . . . . 1 18729 1 30 2 109.410 . 29.7612440687 . . . . . . . . . . 1 18729 1 31 1 7.666 . 30.4039567709 . . . . . . . . . . 1 18729 1 31 2 109.274 . 29.6231929710 . . . . . . . . . . 1 18729 1 32 1 8.335 . 30.7962298393 . . . . . . . . . . 1 18729 1 32 2 108.261 . 30.3344641124 . . . . . . . . . . 1 18729 1 33 1 8.002 . 32.7952206135 . . . . . . . . . . 1 18729 1 33 2 108.164 . 39.6422242146 . . . . . . . . . . 1 18729 1 34 1 6.850 . 29.1466712952 . . . . . . . . . . 1 18729 1 34 2 108.110 . 31.0714613114 . . . . . . . . . . 1 18729 1 35 1 8.365 . 30.3003937006 . . . . . . . . . . 1 18729 1 35 2 106.088 . 29.4826055013 . . . . . . . . . . 1 18729 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 . . 8.775 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 1 1 2 1 . . 132.525 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 1 2 1 1 . . 8.996 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 1 2 2 1 . . 129.839 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 1 3 1 1 . . 9.273 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 1 3 2 1 . . 128.824 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 1 4 1 1 . . 9.818 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 1 4 2 2 . . 127.272 . . 1 . 1 1 19 TRP NE1 . . . . . . . . . . 33 . 18729 1 5 1 1 . . 10.622 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 1 5 2 1 . . 127.240 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 1 6 1 1 . . 8.224 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 1 6 2 1 . . 126.905 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 1 7 1 1 . . 9.150 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 1 7 2 1 . . 125.362 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 1 8 1 1 . . 9.625 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 1 8 2 1 . . 125.170 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 1 9 1 1 . . 8.997 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 1 9 2 1 . . 125.104 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 1 10 1 1 . . 9.262 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 1 10 2 1 . . 122.657 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 1 11 1 1 . . 6.947 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 1 11 2 1 . . 122.607 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 1 12 1 1 . . 8.812 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 1 12 2 1 . . 121.933 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 1 13 1 1 . . 7.880 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 1 13 2 1 . . 121.282 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 1 14 1 1 . . 9.449 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 1 14 2 1 . . 120.773 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 1 15 1 1 . . 8.433 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 1 15 2 1 . . 120.636 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 1 16 1 1 . . 8.747 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 1 16 2 1 . . 119.920 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 1 17 1 1 . . 8.604 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 1 17 2 1 . . 119.913 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 1 18 1 1 . . 8.702 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 1 18 2 1 . . 119.287 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 1 19 1 1 . . 8.238 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 1 19 2 1 . . 117.947 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 1 20 1 1 . . 8.120 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 1 20 2 1 . . 117.111 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 1 21 1 1 . . 7.462 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 1 21 2 1 . . 116.341 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 1 22 1 1 . . 8.693 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 1 22 2 1 . . 115.853 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 1 23 1 1 . . 7.934 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 1 23 2 1 . . 114.938 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 1 24 1 1 . . 8.411 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 1 24 2 1 . . 114.603 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 1 25 1 1 . . 9.570 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 1 25 2 1 . . 113.185 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 1 26 1 1 . . 7.647 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 1 26 2 4 . . 112.787 . . 1 . 1 1 31 ASN ND2 . . . . . . . . . . 66 . 18729 1 27 1 2 . . 7.021 . . 1 . 1 1 31 ASN HD22 . . . . . . . . . . 67 . 18729 1 27 2 2 . . 112.790 . . 1 . 1 1 31 ASN ND2 . . . . . . . . . . 66 . 18729 1 28 1 1 . . 7.617 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 1 28 2 1 . . 111.409 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 1 29 1 1 . . 7.030 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 1 29 2 1 . . 111.403 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 1 30 1 1 . . 8.886 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 1 30 2 1 . . 109.410 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 1 31 1 1 . . 7.666 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 1 31 2 1 . . 109.274 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 1 32 1 1 . . 8.335 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 1 32 2 1 . . 108.261 . . 1 . 1 1 8 GLY N . . . . . . . . . . 29 . 18729 1 33 1 1 . . 8.002 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 1 33 2 1 . . 108.164 . . 1 . 1 1 27 ASN ND2 . . . . . . . . . . 35 . 18729 1 34 1 1 . . 6.850 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 1 34 2 2 . . 108.110 . . 1 . 1 1 27 ASN ND2 . . . . . . . . . . 35 . 18729 1 35 1 1 . . 8.365 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 1 35 2 1 . . 106.088 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 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 18729 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D HNCACB' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _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 . . H 1 1H . . 2968.75000000 . . . . . . . 18729 2 2 . . C 13 13C . . 10000.00000000 . . . . . . . 18729 2 3 . . N 15 15N . . 2129.24518258 . . . . . . . 18729 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 2 2 1.0 . . 18729 2 3 1.0 . . 18729 2 4 1.0 . . 18729 2 5 1.0 . . 18729 2 6 1.0 . . 18729 2 7 1.0 . . 18729 2 8 1.0 . . 18729 2 9 1.0 . . 18729 2 10 1.0 . . 18729 2 11 1.0 . . 18729 2 12 1.0 . . 18729 2 13 1.0 . . 18729 2 14 1.0 . . 18729 2 15 1.0 . . 18729 2 16 1.0 . . 18729 2 17 1.0 . . 18729 2 18 1.0 . . 18729 2 19 1.0 . . 18729 2 20 1.0 . . 18729 2 21 1.0 . . 18729 2 22 1.0 . . 18729 2 23 1.0 . . 18729 2 24 1.0 . . 18729 2 25 1.0 . . 18729 2 26 1.0 . . 18729 2 27 1.0 . . 18729 2 28 1.0 . . 18729 2 29 1.0 . . 18729 2 30 1.0 . . 18729 2 31 1.0 . . 18729 2 32 1.0 . . 18729 2 33 1.0 . . 18729 2 34 1.0 . . 18729 2 35 1.0 . . 18729 2 36 1.0 . . 18729 2 37 1.0 . . 18729 2 38 1.0 . . 18729 2 39 1.0 . . 18729 2 40 1.0 . . 18729 2 41 1.0 . . 18729 2 42 1.0 . . 18729 2 43 1.0 . . 18729 2 44 1.0 . . 18729 2 45 1.0 . . 18729 2 46 1.0 . . 18729 2 47 1.0 . . 18729 2 48 1.0 . . 18729 2 49 1.0 . . 18729 2 50 1.0 . . 18729 2 51 1.0 . . 18729 2 52 1.0 . . 18729 2 53 1.0 . . 18729 2 54 1.0 . . 18729 2 55 1.0 . . 18729 2 56 1.0 . . 18729 2 57 1.0 . . 18729 2 58 1.0 . . 18729 2 59 1.0 . . 18729 2 60 1.0 . . 18729 2 61 1.0 . . 18729 2 62 1.0 . . 18729 2 63 1.0 . . 18729 2 64 1.0 . . 18729 2 65 1.0 . . 18729 2 66 1.0 . . 18729 2 67 1.0 . . 18729 2 68 1.0 . . 18729 2 69 1.0 . . 18729 2 70 1.0 . . 18729 2 71 1.0 . . 18729 2 72 1.0 . . 18729 2 73 1.0 . . 18729 2 74 1.0 . . 18729 2 75 1.0 . . 18729 2 76 1.0 . . 18729 2 77 1.0 . . 18729 2 78 1.0 . . 18729 2 79 1.0 . . 18729 2 80 1.0 . . 18729 2 81 1.0 . . 18729 2 82 1.0 . . 18729 2 83 1.0 . . 18729 2 84 1.0 . . 18729 2 85 1.0 . . 18729 2 86 1.0 . . 18729 2 87 1.0 . . 18729 2 88 1.0 . . 18729 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 -649749.50 . height 18729 2 1 -14869058.25 . volume 18729 2 2 -719712.75 . height 18729 2 2 -16459330.25 . volume 18729 2 3 924473.00 . height 18729 2 3 19792361.75 . volume 18729 2 4 609722.75 . height 18729 2 4 13393970.25 . volume 18729 2 5 4649524.00 . height 18729 2 5 101214205.50 . volume 18729 2 6 644131.75 . height 18729 2 6 14671628.00 . volume 18729 2 7 -465727.00 . height 18729 2 7 -10686530.75 . volume 18729 2 8 -1226830.75 . height 18729 2 8 -27358721.75 . volume 18729 2 9 2129745.75 . height 18729 2 9 47205909.75 . volume 18729 2 10 -843593.50 . height 18729 2 10 -18957153.75 . volume 18729 2 11 1195621.00 . height 18729 2 11 26723708.00 . volume 18729 2 12 3819216.75 . height 18729 2 12 82252595.25 . volume 18729 2 13 -1890918.50 . height 18729 2 13 -41195300.50 . volume 18729 2 14 2028399.25 . height 18729 2 14 49163910.50 . volume 18729 2 15 -357258.00 . height 18729 2 15 -7787374.25 . volume 18729 2 16 1473798.00 . height 18729 2 16 32823282.50 . volume 18729 2 17 -1042970.75 . height 18729 2 17 -23692180.00 . volume 18729 2 18 885452.25 . height 18729 2 18 19483900.00 . volume 18729 2 19 -591413.50 . height 18729 2 19 -13325631.75 . volume 18729 2 20 -1136604.50 . height 18729 2 20 -25522040.75 . volume 18729 2 21 1178902.25 . height 18729 2 21 26874995.00 . volume 18729 2 22 3039496.75 . height 18729 2 22 65845952.25 . volume 18729 2 23 7417430.00 . height 18729 2 23 160771900.50 . volume 18729 2 24 456636.50 . height 18729 2 24 10395925.50 . volume 18729 2 25 8013130.00 . height 18729 2 25 172590434.00 . volume 18729 2 26 8226180.00 . height 18729 2 26 178477588.50 . volume 18729 2 27 763924.00 . height 18729 2 27 17041035.00 . volume 18729 2 28 -773057.25 . height 18729 2 28 -17298078.50 . volume 18729 2 29 701192.50 . height 18729 2 29 15245856.00 . volume 18729 2 30 -532158.25 . height 18729 2 30 -12343733.00 . volume 18729 2 31 -798758.75 . height 18729 2 31 -17238645.50 . volume 18729 2 32 222890.50 . height 18729 2 32 5127611.25 . volume 18729 2 33 2786579.25 . height 18729 2 33 62217520.25 . volume 18729 2 34 -1321463.00 . height 18729 2 34 -29639527.75 . volume 18729 2 35 -696753.25 . height 18729 2 35 -15706449.50 . volume 18729 2 36 2547009.50 . height 18729 2 36 55844597.00 . volume 18729 2 37 -2006195.50 . height 18729 2 37 -43778233.50 . volume 18729 2 38 1373853.25 . height 18729 2 38 30877242.00 . volume 18729 2 39 -1781898.75 . height 18729 2 39 -39652295.00 . volume 18729 2 40 3204653.50 . height 18729 2 40 68704538.00 . volume 18729 2 41 713069.50 . height 18729 2 41 16057054.75 . volume 18729 2 42 -1231243.25 . height 18729 2 42 -26582629.00 . volume 18729 2 43 2108617.00 . height 18729 2 43 46415839.75 . volume 18729 2 44 -538602.75 . height 18729 2 44 -12893236.50 . volume 18729 2 45 -1851992.00 . height 18729 2 45 -41034203.50 . volume 18729 2 46 2673251.00 . height 18729 2 46 58902634.50 . volume 18729 2 47 -1075694.00 . height 18729 2 47 -24595750.75 . volume 18729 2 48 1194400.00 . height 18729 2 48 26729981.25 . volume 18729 2 49 -605983.00 . height 18729 2 49 -13574899.75 . volume 18729 2 50 1327231.75 . height 18729 2 50 29556305.25 . volume 18729 2 51 3824153.25 . height 18729 2 51 84608047.50 . volume 18729 2 52 -1092496.75 . height 18729 2 52 -24787698.00 . volume 18729 2 53 2958003.25 . height 18729 2 53 63996895.50 . volume 18729 2 54 1098934.50 . height 18729 2 54 24816514.75 . volume 18729 2 55 983491.50 . height 18729 2 55 22368735.25 . volume 18729 2 56 2839693.00 . height 18729 2 56 62612827.50 . volume 18729 2 57 -1452521.25 . height 18729 2 57 -32774609.75 . volume 18729 2 58 2464821.00 . height 18729 2 58 54999187.50 . volume 18729 2 59 -327133.25 . height 18729 2 59 -8428756.75 . volume 18729 2 60 -1149126.25 . height 18729 2 60 -25744705.00 . volume 18729 2 61 1325087.50 . height 18729 2 61 29342159.00 . volume 18729 2 62 736190.75 . height 18729 2 62 16488855.00 . volume 18729 2 63 2696206.25 . height 18729 2 63 57869321.75 . volume 18729 2 64 -915466.25 . height 18729 2 64 -20019179.25 . volume 18729 2 65 3982317.00 . height 18729 2 65 85234968.25 . volume 18729 2 66 1364959.00 . height 18729 2 66 30863260.75 . volume 18729 2 67 -1331138.50 . height 18729 2 67 -29820277.75 . volume 18729 2 68 490057.75 . height 18729 2 68 10846307.00 . volume 18729 2 69 1528568.25 . height 18729 2 69 34641113.25 . volume 18729 2 70 1451015.25 . height 18729 2 70 32311532.25 . volume 18729 2 71 -1046618.25 . height 18729 2 71 -23011897.75 . volume 18729 2 72 3243470.50 . height 18729 2 72 72577913.25 . volume 18729 2 73 -2323059.00 . height 18729 2 73 -50772087.25 . volume 18729 2 74 1472559.50 . height 18729 2 74 33156863.75 . volume 18729 2 75 654578.50 . height 18729 2 75 15142271.50 . volume 18729 2 76 -711965.00 . height 18729 2 76 -16210165.75 . volume 18729 2 77 1466871.25 . height 18729 2 77 32353569.75 . volume 18729 2 78 737768.25 . height 18729 2 78 16827116.25 . volume 18729 2 79 -588656.00 . height 18729 2 79 -13022629.25 . volume 18729 2 80 2569157.25 . height 18729 2 80 56209057.00 . volume 18729 2 81 -392552.25 . height 18729 2 81 -8633002.00 . volume 18729 2 82 2395752.75 . height 18729 2 82 53453834.50 . volume 18729 2 83 -1832787.00 . height 18729 2 83 -41247010.75 . volume 18729 2 84 1392427.75 . height 18729 2 84 31269417.50 . volume 18729 2 85 408768.00 . height 18729 2 85 9119220.75 . volume 18729 2 86 -480153.75 . height 18729 2 86 -11090169.00 . volume 18729 2 87 630454.00 . height 18729 2 87 14450643.75 . volume 18729 2 88 646781.50 . height 18729 2 88 14503737.50 . volume 18729 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 7.620 . 25.7195532322 . . . . . . . . . . 1 18729 2 1 2 54.397 . 112.2123003010 . . . . . . . . . . 1 18729 2 1 3 111.410 . 57.9522387816 . . . . . . . . . . 1 18729 2 2 1 7.037 . 25.3501534462 . . . . . . . . . . 1 18729 2 2 2 54.401 . 115.6508922580 . . . . . . . . . . 1 18729 2 2 3 111.459 . 45.7595893018 . . . . . . . . . . 1 18729 2 3 1 7.616 . 27.2132456303 . . . . . . . . . . 1 18729 2 3 2 37.238 . 100.9398698810 . . . . . . . . . . 1 18729 2 3 3 111.341 . 33.8451329047 . . . . . . . . . . 1 18729 2 4 1 7.038 . 28.3123552799 . . . . . . . . . . 1 18729 2 4 2 37.208 . 109.1450452800 . . . . . . . . . . 1 18729 2 4 3 111.463 . 38.1713399336 . . . . . . . . . . 1 18729 2 5 1 8.882 . 27.0055234432 . . . . . . . . . . 1 18729 2 5 2 44.731 . 93.8624143600 . . . . . . . . . . 1 18729 2 5 3 109.387 . 37.8087497704 . . . . . . . . . . 1 18729 2 6 1 8.883 . 24.8692929745 . . . . . . . . . . 1 18729 2 6 2 57.114 . 128.7698745730 . . . . . . . . . . 1 18729 2 6 3 109.336 . 45.6405449990 . . . . . . . . . . 1 18729 2 7 1 8.889 . 31.0270488262 . . . . . . . . . . 1 18729 2 7 2 38.871 . 218.7907695770 . . . . . . . . . . 1 18729 2 7 3 109.337 . 36.2695500859 . . . . . . . . . . 1 18729 2 8 1 9.259 . 23.8256901503 . . . . . . . . . . 1 18729 2 8 2 38.720 . 112.8917932510 . . . . . . . . . . 1 18729 2 8 3 122.648 . 41.6774357849 . . . . . . . . . . 1 18729 2 9 1 9.258 . 26.1834263802 . . . . . . . . . . 1 18729 2 9 2 57.078 . 117.1010732650 . . . . . . . . . . 1 18729 2 9 3 122.670 . 37.1354768214 . . . . . . . . . . 1 18729 2 10 1 9.259 . 25.6065279245 . . . . . . . . . . 1 18729 2 10 2 36.597 . 207.0832252500 . . . . . . . . . . 1 18729 2 10 3 122.709 . 39.5463143219 . . . . . . . . . . 1 18729 2 11 1 9.258 . 30.5733829737 . . . . . . . . . . 1 18729 2 11 2 55.393 . 122.8633522990 . . . . . . . . . . 1 18729 2 11 3 122.597 . 35.6309243593 . . . . . . . . . . 1 18729 2 12 1 9.442 . 26.3976305723 . . . . . . . . . . 1 18729 2 12 2 55.409 . 110.1753115650 . . . . . . . . . . 1 18729 2 12 3 120.750 . 34.0425459249 . . . . . . . . . . 1 18729 2 13 1 9.443 . 25.3457576036 . . . . . . . . . . 1 18729 2 13 2 36.579 . 113.9932870860 . . . . . . . . . . 1 18729 2 13 3 120.752 . 33.6720237054 . . . . . . . . . . 1 18729 2 14 1 9.441 . 26.4862924814 . . . . . . . . . . 1 18729 2 14 2 55.722 . 157.0823788640 . . . . . . . . . . 1 18729 2 14 3 120.728 . 37.3559879899 . . . . . . . . . . 1 18729 2 15 1 9.440 . 29.0417671204 . . . . . . . . . . 1 18729 2 15 2 30.053 . 116.4251565930 . . . . . . . . . . 1 18729 2 15 3 120.728 . 30.5446994123 . . . . . . . . . . 1 18729 2 16 1 8.220 . 24.8365104198 . . . . . . . . . . 1 18729 2 16 2 55.883 . 104.1585206990 . . . . . . . . . . 1 18729 2 16 3 126.958 . 42.1463789605 . . . . . . . . . . 1 18729 2 17 1 8.221 . 31.3164293766 . . . . . . . . . . 1 18729 2 17 2 29.923 . 119.2420721050 . . . . . . . . . . 1 18729 2 17 3 126.816 . 37.8366706090 . . . . . . . . . . 1 18729 2 18 1 8.226 . 28.6319851875 . . . . . . . . . . 1 18729 2 18 2 53.712 . 88.2446765900 . . . . . . . . . . 1 18729 2 18 3 126.880 . 37.8284212704 . . . . . . . . . . 1 18729 2 19 1 8.217 . 26.8208980560 . . . . . . . . . . 1 18729 2 19 2 41.942 . 116.0389184950 . . . . . . . . . . 1 18729 2 19 3 126.870 . 39.1312456735 . . . . . . . . . . 1 18729 2 20 1 8.606 . 26.5263020992 . . . . . . . . . . 1 18729 2 20 2 41.931 . 119.1538572310 . . . . . . . . . . 1 18729 2 20 3 119.942 . 37.6023893906 . . . . . . . . . . 1 18729 2 21 1 8.606 . 23.1912732124 . . . . . . . . . . 1 18729 2 21 2 53.650 . 134.3652606010 . . . . . . . . . . 1 18729 2 21 3 119.823 . 44.7662420120 . . . . . . . . . . 1 18729 2 22 1 8.607 . 25.7015228271 . . . . . . . . . . 1 18729 2 22 2 44.408 . 98.7678766251 . . . . . . . . . . 1 18729 2 22 3 119.889 . 35.5029961533 . . . . . . . . . . 1 18729 2 23 1 7.662 . 25.9613990784 . . . . . . . . . . 1 18729 2 23 2 44.422 . 89.7508859634 . . . . . . . . . . 1 18729 2 23 3 109.263 . 38.3445760458 . . . . . . . . . . 1 18729 2 24 1 7.662 . 25.9250402451 . . . . . . . . . . 1 18729 2 24 2 55.205 . 131.9524645810 . . . . . . . . . . 1 18729 2 24 3 109.280 . 37.4682424524 . . . . . . . . . . 1 18729 2 25 1 8.328 . 25.3959000111 . . . . . . . . . . 1 18729 2 25 2 44.626 . 90.8970832825 . . . . . . . . . . 1 18729 2 25 3 108.234 . 38.3713546683 . . . . . . . . . . 1 18729 2 26 1 8.417 . 26.7830491066 . . . . . . . . . . 1 18729 2 26 2 46.058 . 92.2325253487 . . . . . . . . . . 1 18729 2 26 3 114.600 . 37.9887122665 . . . . . . . . . . 1 18729 2 27 1 8.414 . 24.7719883919 . . . . . . . . . . 1 18729 2 27 2 54.759 . 106.9986820220 . . . . . . . . . . 1 18729 2 27 3 114.587 . 39.8795876046 . . . . . . . . . . 1 18729 2 28 1 8.414 . 27.8732180595 . . . . . . . . . . 1 18729 2 28 2 38.271 . 117.6494359970 . . . . . . . . . . 1 18729 2 28 3 114.559 . 35.5304093403 . . . . . . . . . . 1 18729 2 29 1 8.695 . 22.5849449635 . . . . . . . . . . 1 18729 2 29 2 54.853 . 109.5366477970 . . . . . . . . . . 1 18729 2 29 3 115.851 . 38.5593126773 . . . . . . . . . . 1 18729 2 30 1 8.689 . 24.4742631912 . . . . . . . . . . 1 18729 2 30 2 38.323 . 120.8889484410 . . . . . . . . . . 1 18729 2 30 3 115.843 . 48.7560029356 . . . . . . . . . . 1 18729 2 31 1 8.693 . 41.5775179863 . . . . . . . . . . 1 18729 2 31 2 34.064 . 106.8598032000 . . . . . . . . . . 1 18729 2 31 3 115.713 . 29.2290568060 . . . . . . . . . . 1 18729 2 32 1 8.693 . 35.8200073242 . . . . . . . . . . 1 18729 2 32 2 53.914 . 372.8231787680 . . . . . . . . . . 1 18729 2 32 3 115.789 . 48.1536742992 . . . . . . . . . . 1 18729 2 33 1 9.616 . 25.2452492714 . . . . . . . . . . 1 18729 2 33 2 53.897 . 131.6976547240 . . . . . . . . . . 1 18729 2 33 3 125.161 . 37.7556367206 . . . . . . . . . . 1 18729 2 34 1 9.618 . 27.0368903875 . . . . . . . . . . 1 18729 2 34 2 34.126 . 121.6506958010 . . . . . . . . . . 1 18729 2 34 3 125.160 . 38.2565619478 . . . . . . . . . . 1 18729 2 35 1 9.616 . 26.0781496763 . . . . . . . . . . 1 18729 2 35 2 35.937 . 123.2969760890 . . . . . . . . . . 1 18729 2 35 3 125.224 . 39.8797779739 . . . . . . . . . . 1 18729 2 36 1 8.991 . 23.8122791052 . . . . . . . . . . 1 18729 2 36 2 53.581 . 109.4886660580 . . . . . . . . . . 1 18729 2 36 3 125.112 . 38.5336128145 . . . . . . . . . . 1 18729 2 37 1 8.990 . 23.6555933952 . . . . . . . . . . 1 18729 2 37 2 35.944 . 104.8278808590 . . . . . . . . . . 1 18729 2 37 3 125.117 . 38.2096041738 . . . . . . . . . . 1 18729 2 38 1 8.993 . 25.0314176083 . . . . . . . . . . 1 18729 2 38 2 54.715 . 315.2063488960 . . . . . . . . . . 1 18729 2 38 3 125.130 . 37.0560293442 . . . . . . . . . . 1 18729 2 39 1 7.877 . 27.2490084171 . . . . . . . . . . 1 18729 2 39 2 33.806 . 118.8135147090 . . . . . . . . . . 1 18729 2 39 3 121.321 . 36.6609494780 . . . . . . . . . . 1 18729 2 40 1 7.877 . 25.0262022018 . . . . . . . . . . 1 18729 2 40 2 54.748 . 93.4451818466 . . . . . . . . . . 1 18729 2 40 3 121.298 . 36.5211549156 . . . . . . . . . . 1 18729 2 41 1 7.876 . 30.7807326317 . . . . . . . . . . 1 18729 2 41 2 57.420 . 142.9417729380 . . . . . . . . . . 1 18729 2 41 3 121.182 . 33.3876753468 . . . . . . . . . . 1 18729 2 42 1 8.369 . 24.1006910801 . . . . . . . . . . 1 18729 2 42 2 37.880 . 95.3042507172 . . . . . . . . . . 1 18729 2 42 3 106.117 . 36.2171350571 . . . . . . . . . . 1 18729 2 43 1 8.371 . 24.1677463055 . . . . . . . . . . 1 18729 2 43 2 57.514 . 113.9602065090 . . . . . . . . . . 1 18729 2 43 3 106.085 . 38.1483686982 . . . . . . . . . . 1 18729 2 44 1 8.992 . 26.1186063290 . . . . . . . . . . 1 18729 2 44 2 33.708 . 169.3981885910 . . . . . . . . . . 1 18729 2 44 3 125.081 . 57.6332432006 . . . . . . . . . . 1 18729 2 45 1 8.705 . 25.7408618927 . . . . . . . . . . 1 18729 2 45 2 37.410 . 119.9436187740 . . . . . . . . . . 1 18729 2 45 3 119.307 . 36.8620429724 . . . . . . . . . . 1 18729 2 46 1 8.705 . 24.9582529068 . . . . . . . . . . 1 18729 2 46 2 54.252 . 107.4266433720 . . . . . . . . . . 1 18729 2 46 3 119.320 . 38.7433363863 . . . . . . . . . . 1 18729 2 47 1 9.562 . 26.1265039444 . . . . . . . . . . 1 18729 2 47 2 37.328 . 130.7570934300 . . . . . . . . . . 1 18729 2 47 3 113.188 . 39.5862918863 . . . . . . . . . . 1 18729 2 48 1 9.561 . 22.4348902702 . . . . . . . . . . 1 18729 2 48 2 54.290 . 121.8342781070 . . . . . . . . . . 1 18729 2 48 3 113.127 . 42.5379052655 . . . . . . . . . . 1 18729 2 49 1 8.703 . 30.4451584816 . . . . . . . . . . 1 18729 2 49 2 30.496 . 110.5636358260 . . . . . . . . . . 1 18729 2 49 3 119.399 . 38.9892935918 . . . . . . . . . . 1 18729 2 50 1 8.705 . 23.8512456417 . . . . . . . . . . 1 18729 2 50 2 56.163 . 132.3524117470 . . . . . . . . . . 1 18729 2 50 3 119.323 . 37.6435726275 . . . . . . . . . . 1 18729 2 51 1 9.563 . 25.6128609180 . . . . . . . . . . 1 18729 2 51 2 44.718 . 98.9800691605 . . . . . . . . . . 1 18729 2 51 3 113.175 . 39.8671501401 . . . . . . . . . . 1 18729 2 52 1 8.992 . 23.7485021353 . . . . . . . . . . 1 18729 2 52 2 30.412 . 130.1002502440 . . . . . . . . . . 1 18729 2 52 3 129.874 . 40.7242881570 . . . . . . . . . . 1 18729 2 53 1 8.992 . 24.4472175837 . . . . . . . . . . 1 18729 2 53 2 56.191 . 93.4961438179 . . . . . . . . . . 1 18729 2 53 3 129.841 . 39.2506389868 . . . . . . . . . . 1 18729 2 54 1 10.609 . 30.1714800298 . . . . . . . . . . 1 18729 2 54 2 56.809 . 121.0418343540 . . . . . . . . . . 1 18729 2 54 3 127.192 . 39.4227011547 . . . . . . . . . . 1 18729 2 55 1 10.608 . 33.4508344531 . . . . . . . . . . 1 18729 2 55 2 54.235 . 98.4108448029 . . . . . . . . . . 1 18729 2 55 3 127.279 . 36.1956867765 . . . . . . . . . . 1 18729 2 56 1 9.148 . 26.6149640083 . . . . . . . . . . 1 18729 2 56 2 54.351 . 107.8826189040 . . . . . . . . . . 1 18729 2 56 3 125.338 . 35.9613421016 . . . . . . . . . . 1 18729 2 57 1 9.150 . 27.1820276976 . . . . . . . . . . 1 18729 2 57 2 34.408 . 128.3389329910 . . . . . . . . . . 1 18729 2 57 3 125.298 . 37.8913700701 . . . . . . . . . . 1 18729 2 58 1 9.147 . 27.1735340357 . . . . . . . . . . 1 18729 2 58 2 44.749 . 109.1486215590 . . . . . . . . . . 1 18729 2 58 3 125.392 . 37.7062041450 . . . . . . . . . . 1 18729 2 59 1 10.611 . 25.2773240209 . . . . . . . . . . 1 18729 2 59 2 39.162 . 188.1086826320 . . . . . . . . . . 1 18729 2 59 3 127.185 . 75.7795038612 . . . . . . . . . . 1 18729 2 60 1 8.766 . 31.0650467873 . . . . . . . . . . 1 18729 2 60 2 39.570 . 151.4488458630 . . . . . . . . . . 1 18729 2 60 3 132.516 . 32.6550706157 . . . . . . . . . . 1 18729 2 61 1 8.766 . 25.3647565842 . . . . . . . . . . 1 18729 2 61 2 60.371 . 117.8708672520 . . . . . . . . . . 1 18729 2 61 3 132.526 . 37.3593829100 . . . . . . . . . . 1 18729 2 62 1 8.767 . 46.1596250534 . . . . . . . . . . 1 18729 2 62 2 56.841 . 127.3232698440 . . . . . . . . . . 1 18729 2 62 3 132.523 . 30.5003909451 . . . . . . . . . . 1 18729 2 63 1 8.433 . 23.3310461044 . . . . . . . . . . 1 18729 2 63 2 58.642 . 97.2071290016 . . . . . . . . . . 1 18729 2 63 3 120.646 . 37.1998851195 . . . . . . . . . . 1 18729 2 64 1 8.433 . 23.5646963120 . . . . . . . . . . 1 18729 2 64 2 39.676 . 120.4663515090 . . . . . . . . . . 1 18729 2 64 3 120.659 . 34.3557035125 . . . . . . . . . . 1 18729 2 65 1 8.434 . 24.5210528374 . . . . . . . . . . 1 18729 2 65 2 44.596 . 89.9553298950 . . . . . . . . . . 1 18729 2 65 3 120.637 . 37.0070409638 . . . . . . . . . . 1 18729 2 66 1 6.943 . 26.7958641052 . . . . . . . . . . 1 18729 2 66 2 50.173 . 118.9759373660 . . . . . . . . . . 1 18729 2 66 3 122.538 . 39.7213906713 . . . . . . . . . . 1 18729 2 67 1 6.941 . 25.0022113323 . . . . . . . . . . 1 18729 2 67 2 46.729 . 116.8319582940 . . . . . . . . . . 1 18729 2 67 3 122.564 . 40.0420361201 . . . . . . . . . . 1 18729 2 68 1 6.948 . 35.7744097710 . . . . . . . . . . 1 18729 2 68 2 58.547 . 117.6226139070 . . . . . . . . . . 1 18729 2 68 3 122.540 . 31.6226976083 . . . . . . . . . . 1 18729 2 69 1 8.808 . 27.9104709625 . . . . . . . . . . 1 18729 2 69 2 64.513 . 120.6892728810 . . . . . . . . . . 1 18729 2 69 3 121.902 . 38.2606866171 . . . . . . . . . . 1 18729 2 70 1 8.807 . 26.8161296844 . . . . . . . . . . 1 18729 2 70 2 54.114 . 115.5936717990 . . . . . . . . . . 1 18729 2 70 3 121.903 . 36.4052834354 . . . . . . . . . . 1 18729 2 71 1 8.806 . 23.9476561546 . . . . . . . . . . 1 18729 2 71 2 41.511 . 112.6730442050 . . . . . . . . . . 1 18729 2 71 3 121.899 . 37.7205453030 . . . . . . . . . . 1 18729 2 72 1 8.244 . 24.9013304710 . . . . . . . . . . 1 18729 2 72 2 54.185 . 119.5612549780 . . . . . . . . . . 1 18729 2 72 3 117.981 . 38.5769535708 . . . . . . . . . . 1 18729 2 73 1 8.243 . 25.3185629845 . . . . . . . . . . 1 18729 2 73 2 41.540 . 102.4794578550 . . . . . . . . . . 1 18729 2 73 3 117.998 . 37.5105044490 . . . . . . . . . . 1 18729 2 74 1 7.932 . 27.2382795811 . . . . . . . . . . 1 18729 2 74 2 55.132 . 126.4664530750 . . . . . . . . . . 1 18729 2 74 3 114.946 . 37.2437335274 . . . . . . . . . . 1 18729 2 75 1 7.931 . 25.1862406731 . . . . . . . . . . 1 18729 2 75 2 57.433 . 129.0935277940 . . . . . . . . . . 1 18729 2 75 3 115.033 . 47.9001023195 . . . . . . . . . . 1 18729 2 76 1 7.928 . 26.1594355106 . . . . . . . . . . 1 18729 2 76 2 33.835 . 132.3217153550 . . . . . . . . . . 1 18729 2 76 3 114.940 . 40.5732935310 . . . . . . . . . . 1 18729 2 77 1 7.460 . 25.2717733383 . . . . . . . . . . 1 18729 2 77 2 57.342 . 98.6358523369 . . . . . . . . . . 1 18729 2 77 3 116.329 . 38.9462701178 . . . . . . . . . . 1 18729 2 78 1 7.458 . 30.7779014111 . . . . . . . . . . 1 18729 2 78 2 58.673 . 121.1765408520 . . . . . . . . . . 1 18729 2 78 3 116.281 . 40.3358394899 . . . . . . . . . . 1 18729 2 79 1 8.741 . 22.7952003479 . . . . . . . . . . 1 18729 2 79 2 28.788 . 135.5779170990 . . . . . . . . . . 1 18729 2 79 3 119.951 . 35.4189163552 . . . . . . . . . . 1 18729 2 80 1 8.741 . 28.9548933506 . . . . . . . . . . 1 18729 2 80 2 58.822 . 108.2831621170 . . . . . . . . . . 1 18729 2 80 3 119.925 . 33.8427850160 . . . . . . . . . . 1 18729 2 81 1 8.739 . 37.1883809566 . . . . . . . . . . 1 18729 2 81 2 31.742 . 98.4013080597 . . . . . . . . . . 1 18729 2 81 3 119.870 . 35.0871660275 . . . . . . . . . . 1 18729 2 82 1 8.123 . 23.8706171513 . . . . . . . . . . 1 18729 2 82 2 52.527 . 112.6685738560 . . . . . . . . . . 1 18729 2 82 3 117.039 . 40.9943905423 . . . . . . . . . . 1 18729 2 83 1 8.122 . 22.9354202747 . . . . . . . . . . 1 18729 2 83 2 40.912 . 118.2556152340 . . . . . . . . . . 1 18729 2 83 3 117.103 . 44.3258542394 . . . . . . . . . . 1 18729 2 84 1 8.124 . 27.1493196487 . . . . . . . . . . 1 18729 2 84 2 60.784 . 123.8566637040 . . . . . . . . . . 1 18729 2 84 3 117.150 . 39.1308014783 . . . . . . . . . . 1 18729 2 85 1 7.993 . 25.1588225365 . . . . . . . . . . 1 18729 2 85 2 37.765 . 113.1927967070 . . . . . . . . . . 1 18729 2 85 3 108.080 . 40.6145402244 . . . . . . . . . . 1 18729 2 86 1 8.241 . 28.7216901779 . . . . . . . . . . 1 18729 2 86 2 30.019 . 131.3894987110 . . . . . . . . . . 1 18729 2 86 3 117.982 . 41.6623331495 . . . . . . . . . . 1 18729 2 87 1 8.241 . 28.7497043610 . . . . . . . . . . 1 18729 2 87 2 56.347 . 125.8563995360 . . . . . . . . . . 1 18729 2 87 3 118.129 . 47.9329727613 . . . . . . . . . . 1 18729 2 88 1 8.993 . 20.6921994686 . . . . . . . . . . 1 18729 2 88 2 64.517 . 108.0039143560 . . . . . . . . . . 1 18729 2 88 3 129.835 . 53.1318646377 . . . . . . . . . . 1 18729 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 . . 7.620 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 2 1 2 1 . . 54.397 . . 1 . 1 1 6 ASN CA . . . . . . . . . . 69 . 18729 2 1 3 1 . . 111.410 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 2 2 1 1 . . 7.037 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 2 2 2 1 . . 54.401 . . 1 . 1 1 6 ASN CA . . . . . . . . . . 69 . 18729 2 2 3 1 . . 111.459 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 2 3 1 1 . . 7.616 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 2 3 2 1 . . 37.238 . . 1 . 1 1 6 ASN CB . . . . . . . . . . 70 . 18729 2 3 3 1 . . 111.341 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 2 4 1 1 . . 7.038 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 2 4 2 1 . . 37.208 . . 1 . 1 1 6 ASN CB . . . . . . . . . . 70 . 18729 2 4 3 1 . . 111.463 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 2 5 1 1 . . 8.882 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 2 5 2 1 . . 44.731 . . 1 . 1 1 22 GLY CA . . . . . . . . . . 72 . 18729 2 5 3 1 . . 109.387 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 2 6 1 1 . . 8.883 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 2 6 2 1 . . 57.114 . . 1 . 1 1 21 CYS CA . . . . . . . . . . 74 . 18729 2 6 3 1 . . 109.336 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 2 7 1 1 . . 8.889 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 2 7 2 1 . . 38.871 . . 1 . 1 1 21 CYS CB . . . . . . . . . . 73 . 18729 2 7 3 1 . . 109.337 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 2 8 1 1 . . 9.259 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 2 8 2 1 . . 38.720 . . 1 . 1 1 21 CYS CB . . . . . . . . . . 73 . 18729 2 8 3 1 . . 122.648 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 2 9 1 1 . . 9.258 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 2 9 2 1 . . 57.078 . . 1 . 1 1 21 CYS CA . . . . . . . . . . 74 . 18729 2 9 3 1 . . 122.670 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 2 10 1 1 . . 9.259 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 2 10 2 1 . . 36.597 . . 1 . 1 1 20 CYS CB . . . . . . . . . . 76 . 18729 2 10 3 1 . . 122.709 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 2 11 1 1 . . 9.258 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 2 11 2 1 . . 55.393 . . 1 . 1 1 20 CYS CA . . . . . . . . . . 75 . 18729 2 11 3 1 . . 122.597 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 2 12 1 1 . . 9.442 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 2 12 2 1 . . 55.409 . . 1 . 1 1 20 CYS CA . . . . . . . . . . 75 . 18729 2 12 3 1 . . 120.750 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 2 13 1 1 . . 9.443 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 2 13 2 1 . . 36.579 . . 1 . 1 1 20 CYS CB . . . . . . . . . . 76 . 18729 2 13 3 1 . . 120.752 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 2 14 1 1 . . 9.441 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 2 14 2 1 . . 55.722 . . 1 . 1 1 19 TRP CA . . . . . . . . . . 77 . 18729 2 14 3 1 . . 120.728 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 2 15 1 1 . . 9.440 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 2 15 2 1 . . 30.053 . . 1 . 1 1 19 TRP CB . . . . . . . . . . 78 . 18729 2 15 3 1 . . 120.728 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 2 16 1 1 . . 8.220 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 2 16 2 1 . . 55.883 . . 1 . 1 1 19 TRP CA . . . . . . . . . . 77 . 18729 2 16 3 1 . . 126.958 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 2 17 1 1 . . 8.221 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 2 17 2 1 . . 29.923 . . 1 . 1 1 19 TRP CB . . . . . . . . . . 78 . 18729 2 17 3 1 . . 126.816 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 2 18 1 1 . . 8.226 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 2 18 2 1 . . 53.712 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 80 . 18729 2 18 3 1 . . 126.880 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 2 19 1 1 . . 8.217 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 2 19 2 1 . . 41.942 . . 1 . 1 1 18 ASP CB . . . . . . . . . . 79 . 18729 2 19 3 1 . . 126.870 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 2 20 1 1 . . 8.606 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 2 20 2 1 . . 41.931 . . 1 . 1 1 18 ASP CB . . . . . . . . . . 79 . 18729 2 20 3 1 . . 119.942 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 2 21 1 1 . . 8.606 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 2 21 2 1 . . 53.650 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 80 . 18729 2 21 3 1 . . 119.823 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 2 22 1 1 . . 8.607 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 2 22 2 1 . . 44.408 . . 1 . 1 1 17 GLY CA . . . . . . . . . . 81 . 18729 2 22 3 1 . . 119.889 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 2 23 1 1 . . 7.662 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 2 23 2 1 . . 44.422 . . 1 . 1 1 17 GLY CA . . . . . . . . . . 81 . 18729 2 23 3 1 . . 109.263 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 2 24 1 1 . . 7.662 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 2 24 2 1 . . 55.205 . . 1 . 1 1 16 MET CA . . . . . . . . . . 83 . 18729 2 24 3 1 . . 109.280 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 2 25 1 1 . . 8.328 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 2 25 2 3 . . 44.626 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 110 . 18729 2 25 3 1 . . 108.234 . . 1 . 1 1 8 GLY N . . . . . . . . . . 29 . 18729 2 26 1 1 . . 8.417 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 2 26 2 1 . . 46.058 . . 1 . 1 1 32 GLY CA . . . . . . . . . . 84 . 18729 2 26 3 1 . . 114.600 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 2 27 1 1 . . 8.414 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 2 27 2 1 . . 54.759 . . 1 . 1 1 31 ASN CA . . . . . . . . . . 68 . 18729 2 27 3 1 . . 114.587 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 2 28 1 1 . . 8.414 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 2 28 2 1 . . 38.271 . . 1 . 1 1 31 ASN CB . . . . . . . . . . 71 . 18729 2 28 3 1 . . 114.559 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 2 29 1 1 . . 8.695 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 2 29 2 1 . . 54.853 . . 1 . 1 1 31 ASN CA . . . . . . . . . . 68 . 18729 2 29 3 1 . . 115.851 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 2 30 1 1 . . 8.689 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 2 30 2 1 . . 38.323 . . 1 . 1 1 31 ASN CB . . . . . . . . . . 71 . 18729 2 30 3 1 . . 115.843 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 2 31 1 1 . . 8.693 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 2 31 2 1 . . 34.064 . . 1 . 1 1 30 ARG CB . . . . . . . . . . 85 . 18729 2 31 3 1 . . 115.713 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 2 32 1 1 . . 8.693 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 2 32 2 1 . . 53.914 . . 1 . 1 1 30 ARG CA . . . . . . . . . . 86 . 18729 2 32 3 1 . . 115.789 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 2 33 1 1 . . 9.616 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 2 33 2 1 . . 53.897 . . 1 . 1 1 30 ARG CA . . . . . . . . . . 86 . 18729 2 33 3 1 . . 125.161 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 2 34 1 1 . . 9.618 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 2 34 2 1 . . 34.126 . . 1 . 1 1 30 ARG CB . . . . . . . . . . 85 . 18729 2 34 3 1 . . 125.160 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 2 35 1 1 . . 9.616 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 2 35 2 1 . . 35.937 . . 1 . 1 1 29 CYS CB . . . . . . . . . . 87 . 18729 2 35 3 1 . . 125.224 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 2 36 1 1 . . 8.991 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 2 36 2 1 . . 53.581 . . 1 . 1 1 29 CYS CA . . . . . . . . . . 88 . 18729 2 36 3 1 . . 125.112 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 2 37 1 1 . . 8.990 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 2 37 2 1 . . 35.944 . . 1 . 1 1 29 CYS CB . . . . . . . . . . 87 . 18729 2 37 3 1 . . 125.117 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 2 38 1 1 . . 8.993 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 2 38 2 1 . . 54.715 . . 1 . 1 1 28 GLU CA . . . . . . . . . . 89 . 18729 2 38 3 1 . . 125.130 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 2 39 1 1 . . 7.877 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 2 39 2 1 . . 33.806 . . 1 . 1 1 28 GLU CB . . . . . . . . . . 90 . 18729 2 39 3 1 . . 121.321 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 2 40 1 1 . . 7.877 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 2 40 2 1 . . 54.748 . . 1 . 1 1 28 GLU CA . . . . . . . . . . 89 . 18729 2 40 3 1 . . 121.298 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 2 41 1 1 . . 7.876 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 2 41 2 1 . . 57.420 . . 1 . 1 1 27 ASN CA . . . . . . . . . . 91 . 18729 2 41 3 1 . . 121.182 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 2 42 1 1 . . 8.369 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 2 42 2 1 . . 37.880 . . 1 . 1 1 27 ASN CB . . . . . . . . . . 92 . 18729 2 42 3 2 . . 106.117 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 2 43 1 1 . . 8.371 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 2 43 2 1 . . 57.514 . . 1 . 1 1 27 ASN CA . . . . . . . . . . 91 . 18729 2 43 3 1 . . 106.085 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 2 44 1 1 . . 8.992 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 2 44 2 1 . . 33.708 . . 1 . 1 1 28 GLU CB . . . . . . . . . . 90 . 18729 2 44 3 1 . . 125.081 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 2 45 1 1 . . 8.705 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 2 45 2 1 . . 37.410 . . 1 . 1 1 6 ASN CB . . . . . . . . . . 70 . 18729 2 45 3 1 . . 119.307 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 2 46 1 1 . . 8.705 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 2 46 2 1 . . 54.252 . . 1 . 1 1 6 ASN CA . . . . . . . . . . 69 . 18729 2 46 3 1 . . 119.320 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 2 47 1 1 . . 9.562 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 2 47 2 1 . . 37.328 . . 1 . 1 1 6 ASN CB . . . . . . . . . . 70 . 18729 2 47 3 1 . . 113.188 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 2 48 1 1 . . 9.561 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 2 48 2 1 . . 54.290 . . 1 . 1 1 6 ASN CA . . . . . . . . . . 69 . 18729 2 48 3 1 . . 113.127 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 2 49 1 1 . . 8.703 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 2 49 2 1 . . 30.496 . . 1 . 1 1 5 GLU CB . . . . . . . . . . 97 . 18729 2 49 3 1 . . 119.399 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 2 50 1 1 . . 8.705 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 2 50 2 1 . . 56.163 . . 1 . 1 1 5 GLU CA . . . . . . . . . . 96 . 18729 2 50 3 1 . . 119.323 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 2 51 1 1 . . 9.563 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 2 51 2 1 . . 44.718 . . 1 . 1 1 7 GLY CA . . . . . . . . . . 95 . 18729 2 51 3 1 . . 113.175 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 2 52 1 1 . . 8.992 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 2 52 2 1 . . 30.412 . . 1 . 1 1 5 GLU CB . . . . . . . . . . 97 . 18729 2 52 3 1 . . 129.874 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 2 53 1 1 . . 8.992 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 2 53 2 1 . . 56.191 . . 1 . 1 1 5 GLU CA . . . . . . . . . . 96 . 18729 2 53 3 1 . . 129.841 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 2 54 1 1 . . 10.609 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 2 54 2 1 . . 56.809 . . 1 . 1 1 24 CYS CA . . . . . . . . . . 100 . 18729 2 54 3 1 . . 127.192 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 2 55 1 1 . . 10.608 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 2 55 2 1 . . 54.235 . . 1 . 1 1 23 ARG CA . . . . . . . . . . 102 . 18729 2 55 3 1 . . 127.279 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 2 56 1 1 . . 9.148 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 2 56 2 1 . . 54.351 . . 1 . 1 1 23 ARG CA . . . . . . . . . . 102 . 18729 2 56 3 1 . . 125.338 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 2 57 1 1 . . 9.150 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 2 57 2 1 . . 34.408 . . 1 . 1 1 23 ARG CB . . . . . . . . . . 101 . 18729 2 57 3 1 . . 125.298 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 2 58 1 1 . . 9.147 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 2 58 2 1 . . 44.749 . . 1 . 1 1 22 GLY CA . . . . . . . . . . 72 . 18729 2 58 3 1 . . 125.392 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 2 59 1 1 . . 10.611 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 2 59 2 1 . . 39.162 . . 1 . 1 1 24 CYS CB . . . . . . . . . . 103 . 18729 2 59 3 1 . . 127.185 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 2 60 1 1 . . 8.766 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 2 60 2 1 . . 39.570 . . 1 . 1 1 25 ILE CB . . . . . . . . . . 104 . 18729 2 60 3 1 . . 132.516 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 2 61 1 1 . . 8.766 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 2 61 2 1 . . 60.371 . . 1 . 1 1 25 ILE CA . . . . . . . . . . 105 . 18729 2 61 3 1 . . 132.526 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 2 62 1 1 . . 8.767 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 2 62 2 1 . . 56.841 . . 1 . 1 1 24 CYS CA . . . . . . . . . . 100 . 18729 2 62 3 1 . . 132.523 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 2 63 1 1 . . 8.433 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 2 63 2 1 . . 58.642 . . 1 . 1 1 9 PHE CA . . . . . . . . . . 106 . 18729 2 63 3 1 . . 120.646 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 2 64 1 1 . . 8.433 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 2 64 2 1 . . 39.676 . . 1 . 1 1 9 PHE CB . . . . . . . . . . 107 . 18729 2 64 3 1 . . 120.659 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 2 65 1 1 . . 8.434 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 2 65 2 1 . . 44.596 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 110 . 18729 2 65 3 1 . . 120.637 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 2 66 1 1 . . 6.943 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 2 66 2 1 . . 50.173 . . 1 . 1 1 10 CYS CA . . . . . . . . . . 109 . 18729 2 66 3 1 . . 122.538 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 2 67 1 1 . . 6.941 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 2 67 2 1 . . 46.729 . . 1 . 1 1 10 CYS CB . . . . . . . . . . 108 . 18729 2 67 3 1 . . 122.564 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 2 68 1 1 . . 6.948 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 2 68 2 1 . . 58.547 . . 1 . 1 1 9 PHE CA . . . . . . . . . . 106 . 18729 2 68 3 1 . . 122.540 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 2 69 1 1 . . 8.808 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 2 69 2 2 . . 64.513 . . 1 . 1 1 4 VAL CA . . . . . . . . . . 98 . 18729 2 69 3 1 . . 121.902 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 2 70 1 1 . . 8.807 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 2 70 2 1 . . 54.114 . . 1 . 1 1 3 CYS CA . . . . . . . . . . 111 . 18729 2 70 3 1 . . 121.903 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 2 71 1 1 . . 8.806 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 2 71 2 1 . . 41.511 . . 1 . 1 1 3 CYS CB . . . . . . . . . . 112 . 18729 2 71 3 1 . . 121.899 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 2 72 1 1 . . 8.244 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 2 72 2 1 . . 54.185 . . 1 . 1 1 3 CYS CA . . . . . . . . . . 111 . 18729 2 72 3 1 . . 117.981 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 2 73 1 1 . . 8.243 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 2 73 2 1 . . 41.540 . . 1 . 1 1 3 CYS CB . . . . . . . . . . 112 . 18729 2 73 3 1 . . 117.998 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 2 74 1 1 . . 7.932 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 2 74 2 2 . . 55.132 . . 1 . 1 1 16 MET CA . . . . . . . . . . 83 . 18729 2 74 3 1 . . 114.946 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 2 75 1 1 . . 7.931 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 2 75 2 1 . . 57.433 . . 1 . 1 1 15 LYS CA . . . . . . . . . . 113 . 18729 2 75 3 1 . . 115.033 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 2 76 1 1 . . 7.928 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 2 76 2 1 . . 33.835 . . 1 . 1 1 16 MET CB . . . . . . . . . . 82 . 18729 2 76 3 1 . . 114.940 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 2 77 1 1 . . 7.460 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 2 77 2 1 . . 57.342 . . 1 . 1 1 15 LYS CA . . . . . . . . . . 113 . 18729 2 77 3 1 . . 116.329 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 2 78 1 1 . . 7.458 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 2 78 2 1 . . 58.673 . . 1 . 1 1 14 GLU CA . . . . . . . . . . 115 . 18729 2 78 3 1 . . 116.281 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 2 79 1 1 . . 8.741 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 2 79 2 1 . . 28.788 . . 1 . 1 1 14 GLU CB . . . . . . . . . . 114 . 18729 2 79 3 1 . . 119.951 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 2 80 1 1 . . 8.741 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 2 80 2 1 . . 58.822 . . 1 . 1 1 14 GLU CA . . . . . . . . . . 115 . 18729 2 80 3 1 . . 119.925 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 2 81 1 1 . . 8.739 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 2 81 2 1 . . 31.742 . . 1 . 1 1 13 PRO CB . . . . . . . . . . 117 . 18729 2 81 3 1 . . 119.870 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 2 82 1 1 . . 8.123 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 2 82 2 1 . . 52.527 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 119 . 18729 2 82 3 1 . . 117.039 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 2 83 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 2 83 2 1 . . 40.912 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 118 . 18729 2 83 3 1 . . 117.103 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 2 84 1 1 . . 8.124 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 2 84 2 1 . . 60.784 . . 1 . 1 1 11 PRO CA . . . . . . . . . . 120 . 18729 2 84 3 1 . . 117.150 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 2 85 1 1 . . 7.993 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 2 85 2 1 . . 37.765 . . 1 . 1 1 27 ASN CB . . . . . . . . . . 92 . 18729 2 85 3 1 . . 108.080 . . 1 . 1 1 27 ASN ND2 . . . . . . . . . . 35 . 18729 2 86 1 1 . . 8.241 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 2 86 2 1 . . 30.019 . . 1 . 1 1 2 GLU CB . . . . . . . . . . 152 . 18729 2 86 3 1 . . 117.982 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 2 87 1 1 . . 8.241 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 2 87 2 1 . . 56.347 . . 1 . 1 1 2 GLU CA . . . . . . . . . . 153 . 18729 2 87 3 1 . . 118.129 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 2 88 1 1 . . 8.993 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 2 88 2 1 . . 64.517 . . 1 . 1 1 4 VAL CA . . . . . . . . . . 98 . 18729 2 88 3 1 . . 129.835 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 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 18729 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name 'HNcoCACB (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 . . H 1 1H . . 2968.75000000 . . . . . . . 18729 3 2 . . C 13 13C . . 10000.00000000 . . . . . . . 18729 3 3 . . N 15 15N . . 2129.24518258 . . . . . . . 18729 3 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 3 2 1.0 . . 18729 3 3 1.0 . . 18729 3 4 1.0 . . 18729 3 5 1.0 . . 18729 3 6 1.0 . . 18729 3 7 1.0 . . 18729 3 8 1.0 . . 18729 3 9 1.0 . . 18729 3 10 1.0 . . 18729 3 11 1.0 . . 18729 3 12 1.0 . . 18729 3 13 1.0 . . 18729 3 14 1.0 . . 18729 3 15 1.0 . . 18729 3 16 1.0 . . 18729 3 17 1.0 . . 18729 3 18 1.0 . . 18729 3 19 1.0 . . 18729 3 20 1.0 . . 18729 3 21 1.0 . . 18729 3 22 1.0 . . 18729 3 23 1.0 . . 18729 3 24 1.0 . . 18729 3 25 1.0 . . 18729 3 26 1.0 . . 18729 3 27 1.0 . . 18729 3 28 1.0 . . 18729 3 29 1.0 . . 18729 3 30 1.0 . . 18729 3 31 1.0 . . 18729 3 32 1.0 . . 18729 3 33 1.0 . . 18729 3 34 1.0 . . 18729 3 35 1.0 . . 18729 3 36 1.0 . . 18729 3 37 1.0 . . 18729 3 38 1.0 . . 18729 3 39 1.0 . . 18729 3 40 1.0 . . 18729 3 41 1.0 . . 18729 3 42 1.0 . . 18729 3 43 1.0 . . 18729 3 44 1.0 . . 18729 3 45 1.0 . . 18729 3 46 1.0 . . 18729 3 47 1.0 . . 18729 3 48 1.0 . . 18729 3 49 1.0 . . 18729 3 50 1.0 . . 18729 3 51 1.0 . . 18729 3 52 1.0 . . 18729 3 53 1.0 . . 18729 3 54 1.0 . . 18729 3 55 1.0 . . 18729 3 56 1.0 . . 18729 3 57 1.0 . . 18729 3 58 1.0 . . 18729 3 59 1.0 . . 18729 3 60 1.0 . . 18729 3 61 1.0 . . 18729 3 62 1.0 . . 18729 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 -224331.2812500 . height 18729 3 1 -5219623.0781200 . volume 18729 3 2 -175830.3593750 . height 18729 3 2 -4103724.5625000 . volume 18729 3 3 136984.9531250 . height 18729 3 3 3161990.8203100 . volume 18729 3 4 85511.6796875 . height 18729 3 4 1996398.9023400 . volume 18729 3 5 197004.0312500 . height 18729 3 5 4814948.9531200 . volume 18729 3 6 175507.7656250 . height 18729 3 6 4200080.0234400 . volume 18729 3 7 -281104.1562500 . height 18729 3 7 -6641785.4843800 . volume 18729 3 8 -254610.8125000 . height 18729 3 8 -6056726.4375000 . volume 18729 3 9 195275.0312500 . height 18729 3 9 4464093.0078100 . volume 18729 3 10 -193016.0156250 . height 18729 3 10 -4489084.9609400 . volume 18729 3 11 194782.6250000 . height 18729 3 11 4505676.2968800 . volume 18729 3 12 -206964.4375000 . height 18729 3 12 -4773868.8125000 . volume 18729 3 13 160991.1562500 . height 18729 3 13 3746133.9921900 . volume 18729 3 14 -213213.1093750 . height 18729 3 14 -4955078.4531200 . volume 18729 3 15 96269.0390625 . height 18729 3 15 2254239.0468800 . volume 18729 3 16 -138628.7187500 . height 18729 3 16 -3205158.4921900 . volume 18729 3 17 327727.8125000 . height 18729 3 17 7691196.3593800 . volume 18729 3 18 198666.3437500 . height 18729 3 18 4630883.3906200 . volume 18729 3 19 -146659.9375000 . height 18729 3 19 -3465958.5781200 . volume 18729 3 20 421941.8125000 . height 18729 3 20 9693989.8125000 . volume 18729 3 21 228962.1562500 . height 18729 3 21 5357177.5156200 . volume 18729 3 22 -307943.7812500 . height 18729 3 22 -7113500.0000000 . volume 18729 3 23 186726.9531250 . height 18729 3 23 4268200.8359400 . volume 18729 3 24 -155834.4843750 . height 18729 3 24 -3646385.2109400 . volume 18729 3 25 159588.3437500 . height 18729 3 25 3721005.1015600 . volume 18729 3 26 -261904.5781250 . height 18729 3 26 -6090393.4218800 . volume 18729 3 27 224659.8281250 . height 18729 3 27 5239248.2500000 . volume 18729 3 28 -226430.0312500 . height 18729 3 28 -5244333.1718800 . volume 18729 3 29 223817.8125000 . height 18729 3 29 5205214.1093800 . volume 18729 3 30 -292559.1562500 . height 18729 3 30 -6865355.5312500 . volume 18729 3 31 -141429.0156250 . height 18729 3 31 -3331676.2812500 . volume 18729 3 32 137687.3437500 . height 18729 3 32 3084698.3515600 . volume 18729 3 33 -264092.4687500 . height 18729 3 33 -6132474.5468800 . volume 18729 3 34 199824.0625000 . height 18729 3 34 4682180.8750000 . volume 18729 3 35 -206598.7500000 . height 18729 3 35 -4836114.4687500 . volume 18729 3 36 255522.2187500 . height 18729 3 36 5941420.9218800 . volume 18729 3 37 248968.3906250 . height 18729 3 37 5625796.4218800 . volume 18729 3 38 -227023.4218750 . height 18729 3 38 -5238655.2187500 . volume 18729 3 39 110650.2031250 . height 18729 3 39 2621345.9687500 . volume 18729 3 40 -126984.5000000 . height 18729 3 40 -2941462.9062500 . volume 18729 3 41 384476.3125000 . height 18729 3 41 9004262.2187500 . volume 18729 3 42 191232.6562500 . height 18729 3 42 4383532.6406200 . volume 18729 3 43 -272504.7812500 . height 18729 3 43 -6317051.9843800 . volume 18729 3 44 -116545.0781250 . height 18729 3 44 -2677689.8984400 . volume 18729 3 45 137823.9062500 . height 18729 3 45 3182400.5234400 . volume 18729 3 46 385298.5625000 . height 18729 3 46 8857347.6406200 . volume 18729 3 47 -115067.1328120 . height 18729 3 47 -2688484.7734400 . volume 18729 3 48 99353.0312500 . height 18729 3 48 2315184.4609400 . volume 18729 3 49 235551.0937500 . height 18729 3 49 5465469.3906200 . volume 18729 3 50 -237820.7500000 . height 18729 3 50 -5589703.7812500 . volume 18729 3 51 194916.4531250 . height 18729 3 51 4561323.6562500 . volume 18729 3 52 -177776.0312500 . height 18729 3 52 -4140141.7656200 . volume 18729 3 53 238292.8750000 . height 18729 3 53 5430360.7187500 . volume 18729 3 54 -221494.1562500 . height 18729 3 54 -5193183.0781200 . volume 18729 3 55 -199336.0781250 . height 18729 3 55 -4608490.8281200 . volume 18729 3 56 233343.1562500 . height 18729 3 56 5346739.8750000 . volume 18729 3 57 -190874.8125000 . height 18729 3 57 -4409315.9375000 . volume 18729 3 58 259139.0468750 . height 18729 3 58 6006578.5000000 . volume 18729 3 59 -97373.5546875 . height 18729 3 59 -2191988.2187500 . volume 18729 3 60 -81980.1640625 . height 18729 3 60 -1947239.6054700 . volume 18729 3 61 -377764.4687500 . height 18729 3 61 -8752185.5625000 . volume 18729 3 62 346387.3125000 . height 18729 3 62 8074126.2187500 . volume 18729 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 7.616 . 26.4360010624 . . . . . . . . . . 1 18729 3 1 2 54.231 . 167.9635047910 . . . . . . . . . . 1 18729 3 1 3 111.403 . 45.1193137074 . . . . . . . . . . 1 18729 3 2 1 7.035 . 30.2539765835 . . . . . . . . . . 1 18729 3 2 2 54.198 . 171.6345548630 . . . . . . . . . . 1 18729 3 2 3 111.442 . 41.1842522448 . . . . . . . . . . 1 18729 3 3 1 7.618 . 24.9552726746 . . . . . . . . . . 1 18729 3 3 2 37.230 . 169.5102453230 . . . . . . . . . . 1 18729 3 3 3 111.442 . 42.6851242327 . . . . . . . . . . 1 18729 3 4 1 7.035 . 26.6310572624 . . . . . . . . . . 1 18729 3 4 2 37.202 . 192.4270391460 . . . . . . . . . . 1 18729 3 4 3 111.487 . 40.8993327781 . . . . . . . . . . 1 18729 3 5 1 7.016 . 34.9242985249 . . . . . . . . . . 1 18729 3 5 2 38.193 . 197.5756883620 . . . . . . . . . . 1 18729 3 5 3 112.833 . 53.9659045063 . . . . . . . . . . 1 18729 3 6 1 7.640 . 62.5741481781 . . . . . . . . . . 1 18729 3 6 2 38.134 . 320.8959102630 . . . . . . . . . . 1 18729 3 6 3 112.778 . 45.1603065750 . . . . . . . . . . 1 18729 3 7 1 7.641 . 31.3128530979 . . . . . . . . . . 1 18729 3 7 2 54.807 . 190.7432079320 . . . . . . . . . . 1 18729 3 7 3 112.791 . 46.8208349945 . . . . . . . . . . 1 18729 3 8 1 7.020 . 27.3019075394 . . . . . . . . . . 1 18729 3 8 2 54.839 . 322.8428959850 . . . . . . . . . . 1 18729 3 8 3 112.780 . 52.8992015587 . . . . . . . . . . 1 18729 3 9 1 8.875 . 27.9895961285 . . . . . . . . . . 1 18729 3 9 2 57.023 . 160.9390974040 . . . . . . . . . . 1 18729 3 9 3 109.365 . 38.1341544531 . . . . . . . . . . 1 18729 3 10 1 8.876 . 27.6102125645 . . . . . . . . . . 1 18729 3 10 2 38.647 . 158.1740379330 . . . . . . . . . . 1 18729 3 10 3 109.360 . 43.7782250641 . . . . . . . . . . 1 18729 3 11 1 9.256 . 26.2095779181 . . . . . . . . . . 1 18729 3 11 2 55.342 . 143.1831717490 . . . . . . . . . . 1 18729 3 11 3 122.632 . 46.3082972368 . . . . . . . . . . 1 18729 3 12 1 9.256 . 26.4156609774 . . . . . . . . . . 1 18729 3 12 2 36.560 . 161.1638069150 . . . . . . . . . . 1 18729 3 12 3 122.626 . 42.5331460317 . . . . . . . . . . 1 18729 3 13 1 9.442 . 26.1073559523 . . . . . . . . . . 1 18729 3 13 2 55.754 . 162.3210310940 . . . . . . . . . . 1 18729 3 13 3 120.736 . 44.3265522604 . . . . . . . . . . 1 18729 3 14 1 9.441 . 27.1666049957 . . . . . . . . . . 1 18729 3 14 2 30.019 . 168.2221889500 . . . . . . . . . . 1 18729 3 14 3 120.719 . 43.1501331084 . . . . . . . . . . 1 18729 3 15 1 8.222 . 27.0053744316 . . . . . . . . . . 1 18729 3 15 2 53.610 . 166.9326424600 . . . . . . . . . . 1 18729 3 15 3 126.898 . 45.0585224270 . . . . . . . . . . 1 18729 3 16 1 8.219 . 25.2865254879 . . . . . . . . . . 1 18729 3 16 2 41.842 . 169.1114902500 . . . . . . . . . . 1 18729 3 16 3 126.869 . 42.9086178544 . . . . . . . . . . 1 18729 3 17 1 8.603 . 27.8443098068 . . . . . . . . . . 1 18729 3 17 2 44.354 . 160.3227853780 . . . . . . . . . . 1 18729 3 17 3 119.854 . 45.7293840309 . . . . . . . . . . 1 18729 3 18 1 7.660 . 28.0903279781 . . . . . . . . . . 1 18729 3 18 2 54.939 . 155.5508375170 . . . . . . . . . . 1 18729 3 18 3 109.258 . 42.2720227343 . . . . . . . . . . 1 18729 3 19 1 7.659 . 30.3857028484 . . . . . . . . . . 1 18729 3 19 2 33.780 . 178.6559820180 . . . . . . . . . . 1 18729 3 19 3 109.268 . 46.5562215923 . . . . . . . . . . 1 18729 3 20 1 8.322 . 28.1879305840 . . . . . . . . . . 1 18729 3 20 2 44.644 . 154.0362834930 . . . . . . . . . . 1 18729 3 20 3 108.190 . 40.4934653152 . . . . . . . . . . 1 18729 3 21 1 8.418 . 30.2250683308 . . . . . . . . . . 1 18729 3 21 2 54.758 . 170.3858375550 . . . . . . . . . . 1 18729 3 21 3 114.584 . 40.9998477971 . . . . . . . . . . 1 18729 3 22 1 8.418 . 27.1104276180 . . . . . . . . . . 1 18729 3 22 2 38.139 . 172.6746559140 . . . . . . . . . . 1 18729 3 22 3 114.584 . 40.8890528330 . . . . . . . . . . 1 18729 3 23 1 8.690 . 25.5124270916 . . . . . . . . . . 1 18729 3 23 2 53.919 . 158.8657498360 . . . . . . . . . . 1 18729 3 23 3 115.698 . 41.2753757090 . . . . . . . . . . 1 18729 3 24 1 8.693 . 28.0292332172 . . . . . . . . . . 1 18729 3 24 2 34.190 . 172.5983619690 . . . . . . . . . . 1 18729 3 24 3 115.739 . 43.8090648994 . . . . . . . . . . 1 18729 3 25 1 9.612 . 25.9689241648 . . . . . . . . . . 1 18729 3 25 2 53.500 . 165.4419302940 . . . . . . . . . . 1 18729 3 25 3 125.091 . 42.5074461689 . . . . . . . . . . 1 18729 3 26 1 9.611 . 27.1246582270 . . . . . . . . . . 1 18729 3 26 2 35.905 . 172.7950572970 . . . . . . . . . . 1 18729 3 26 3 125.132 . 41.7266779911 . . . . . . . . . . 1 18729 3 27 1 8.986 . 25.0769406557 . . . . . . . . . . 1 18729 3 27 2 54.673 . 162.9453897480 . . . . . . . . . . 1 18729 3 27 3 125.058 . 48.1225171816 . . . . . . . . . . 1 18729 3 28 1 8.986 . 26.4762341976 . . . . . . . . . . 1 18729 3 28 2 33.723 . 165.9595966340 . . . . . . . . . . 1 18729 3 28 3 125.073 . 42.8750493917 . . . . . . . . . . 1 18729 3 29 1 7.870 . 27.6912748814 . . . . . . . . . . 1 18729 3 29 2 57.287 . 149.4449377060 . . . . . . . . . . 1 18729 3 29 3 121.228 . 43.7550634593 . . . . . . . . . . 1 18729 3 30 1 7.871 . 27.8815627098 . . . . . . . . . . 1 18729 3 30 2 37.821 . 170.2433824540 . . . . . . . . . . 1 18729 3 30 3 121.234 . 43.7871089673 . . . . . . . . . . 1 18729 3 31 1 8.367 . 27.1801650524 . . . . . . . . . . 1 18729 3 31 2 27.429 . 180.2402734760 . . . . . . . . . . 1 18729 3 31 3 106.078 . 45.7755803275 . . . . . . . . . . 1 18729 3 32 1 8.369 . 23.2879817486 . . . . . . . . . . 1 18729 3 32 2 57.538 . 154.0845632550 . . . . . . . . . . 1 18729 3 32 3 106.081 . 38.3144976879 . . . . . . . . . . 1 18729 3 33 1 9.558 . 26.8902629614 . . . . . . . . . . 1 18729 3 33 2 37.290 . 162.6509428020 . . . . . . . . . . 1 18729 3 33 3 113.143 . 43.1544481471 . . . . . . . . . . 1 18729 3 34 1 9.558 . 25.1963734627 . . . . . . . . . . 1 18729 3 34 2 54.117 . 162.0993018150 . . . . . . . . . . 1 18729 3 34 3 113.077 . 48.0558244512 . . . . . . . . . . 1 18729 3 35 1 8.703 . 25.6764888763 . . . . . . . . . . 1 18729 3 35 2 30.361 . 164.0933752060 . . . . . . . . . . 1 18729 3 35 3 119.214 . 48.2821101568 . . . . . . . . . . 1 18729 3 36 1 8.703 . 24.9604880810 . . . . . . . . . . 1 18729 3 36 2 56.050 . 153.7215709690 . . . . . . . . . . 1 18729 3 36 3 119.312 . 47.7282622492 . . . . . . . . . . 1 18729 3 37 1 8.988 . 25.3806263208 . . . . . . . . . . 1 18729 3 37 2 64.434 . 156.1169326310 . . . . . . . . . . 1 18729 3 37 3 129.794 . 38.4719331437 . . . . . . . . . . 1 18729 3 38 1 8.990 . 25.2110511065 . . . . . . . . . . 1 18729 3 38 2 32.170 . 178.1994104390 . . . . . . . . . . 1 18729 3 38 3 129.790 . 42.8606130490 . . . . . . . . . . 1 18729 3 39 1 10.604 . 29.1241146624 . . . . . . . . . . 1 18729 3 39 2 54.213 . 151.6970992090 . . . . . . . . . . 1 18729 3 39 3 127.182 . 50.3575168554 . . . . . . . . . . 1 18729 3 40 1 10.604 . 30.9245288372 . . . . . . . . . . 1 18729 3 40 2 34.340 . 157.3896408080 . . . . . . . . . . 1 18729 3 40 3 127.161 . 38.4386819632 . . . . . . . . . . 1 18729 3 41 1 9.147 . 26.8745422363 . . . . . . . . . . 1 18729 3 41 2 44.670 . 158.2199335100 . . . . . . . . . . 1 18729 3 41 3 125.357 . 47.6367580463 . . . . . . . . . . 1 18729 3 42 1 8.761 . 27.4485349655 . . . . . . . . . . 1 18729 3 42 2 56.680 . 168.6275005340 . . . . . . . . . . 1 18729 3 42 3 132.512 . 38.8214036856 . . . . . . . . . . 1 18729 3 43 1 8.763 . 27.7936458588 . . . . . . . . . . 1 18729 3 43 2 39.053 . 168.6376333240 . . . . . . . . . . 1 18729 3 43 3 132.469 . 40.4426684258 . . . . . . . . . . 1 18729 3 44 1 9.269 . 28.7173688412 . . . . . . . . . . 1 18729 3 44 2 39.512 . 185.0378513340 . . . . . . . . . . 1 18729 3 44 3 128.830 . 35.3207492250 . . . . . . . . . . 1 18729 3 45 1 9.267 . 30.0224125385 . . . . . . . . . . 1 18729 3 45 2 60.100 . 181.6639304160 . . . . . . . . . . 1 18729 3 45 3 128.815 . 38.4587659301 . . . . . . . . . . 1 18729 3 46 1 8.430 . 26.5644490719 . . . . . . . . . . 1 18729 3 46 2 44.532 . 159.1265201570 . . . . . . . . . . 1 18729 3 46 3 120.604 . 41.5802839578 . . . . . . . . . . 1 18729 3 47 1 6.937 . 26.4969468117 . . . . . . . . . . 1 18729 3 47 2 39.603 . 153.3901691440 . . . . . . . . . . 1 18729 3 47 3 122.498 . 45.7678386404 . . . . . . . . . . 1 18729 3 48 1 6.939 . 27.6221334934 . . . . . . . . . . 1 18729 3 48 2 58.637 . 163.1236076350 . . . . . . . . . . 1 18729 3 48 3 122.544 . 46.2124779952 . . . . . . . . . . 1 18729 3 49 1 8.804 . 28.7190079689 . . . . . . . . . . 1 18729 3 49 2 54.064 . 165.2905344960 . . . . . . . . . . 1 18729 3 49 3 121.890 . 42.8049300129 . . . . . . . . . . 1 18729 3 50 1 8.807 . 29.6194851398 . . . . . . . . . . 1 18729 3 50 2 41.423 . 177.7535676960 . . . . . . . . . . 1 18729 3 50 3 121.932 . 43.9001249072 . . . . . . . . . . 1 18729 3 51 1 7.930 . 27.2122025490 . . . . . . . . . . 1 18729 3 51 2 57.207 . 168.1315898900 . . . . . . . . . . 1 18729 3 51 3 114.959 . 47.5023572823 . . . . . . . . . . 1 18729 3 52 1 7.928 . 27.8446078300 . . . . . . . . . . 1 18729 3 52 2 33.931 . 171.9886064530 . . . . . . . . . . 1 18729 3 52 3 114.856 . 41.5839009756 . . . . . . . . . . 1 18729 3 53 1 7.454 . 27.9790163040 . . . . . . . . . . 1 18729 3 53 2 58.587 . 156.7849516870 . . . . . . . . . . 1 18729 3 53 3 116.267 . 38.9759677370 . . . . . . . . . . 1 18729 3 54 1 7.455 . 28.4019112587 . . . . . . . . . . 1 18729 3 54 2 28.803 . 181.0181140900 . . . . . . . . . . 1 18729 3 54 3 116.263 . 45.6098320765 . . . . . . . . . . 1 18729 3 55 1 8.736 . 25.3711640835 . . . . . . . . . . 1 18729 3 55 2 31.868 . 173.0293035510 . . . . . . . . . . 1 18729 3 55 3 119.884 . 42.3469648033 . . . . . . . . . . 1 18729 3 56 1 8.735 . 23.9315629005 . . . . . . . . . . 1 18729 3 56 2 63.703 . 160.4336500170 . . . . . . . . . . 1 18729 3 56 3 119.884 . 43.1835746582 . . . . . . . . . . 1 18729 3 57 1 8.118 . 24.4702398777 . . . . . . . . . . 1 18729 3 57 2 32.376 . 157.2918891910 . . . . . . . . . . 1 18729 3 57 3 117.086 . 44.6520203995 . . . . . . . . . . 1 18729 3 58 1 8.118 . 25.6069004536 . . . . . . . . . . 1 18729 3 58 2 60.830 . 156.9741964340 . . . . . . . . . . 1 18729 3 58 3 117.061 . 44.3475563458 . . . . . . . . . . 1 18729 3 59 1 7.989 . 23.6393511295 . . . . . . . . . . 1 18729 3 59 2 57.300 . 152.0913839340 . . . . . . . . . . 1 18729 3 59 3 108.043 . 38.7934669828 . . . . . . . . . . 1 18729 3 60 1 6.852 . 34.9912047386 . . . . . . . . . . 1 18729 3 60 2 57.239 . 189.6503567700 . . . . . . . . . . 1 18729 3 60 3 107.948 . 42.7667292292 . . . . . . . . . . 1 18729 3 61 1 8.256 . 26.0841846466 . . . . . . . . . . 1 18729 3 61 2 30.172 . 169.5138216020 . . . . . . . . . . 1 18729 3 61 3 118.051 . 44.1903112593 . . . . . . . . . . 1 18729 3 62 1 8.257 . 26.2573361397 . . . . . . . . . . 1 18729 3 62 2 56.252 . 167.9477095600 . . . . . . . . . . 1 18729 3 62 3 118.094 . 44.8029198408 . . . . . . . . . . 1 18729 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 . . 7.616 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 3 1 2 1 . . 54.231 . . 1 . 1 1 6 ASN CA . . . . . . . . . . 69 . 18729 3 1 3 1 . . 111.403 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 3 2 1 1 . . 7.035 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 3 2 2 1 . . 54.198 . . 1 . 1 1 6 ASN CA . . . . . . . . . . 69 . 18729 3 2 3 1 . . 111.442 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 3 3 1 1 . . 7.618 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 3 3 2 1 . . 37.230 . . 1 . 1 1 6 ASN CB . . . . . . . . . . 70 . 18729 3 3 3 1 . . 111.442 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 3 4 1 1 . . 7.035 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 3 4 2 1 . . 37.202 . . 1 . 1 1 6 ASN CB . . . . . . . . . . 70 . 18729 3 4 3 1 . . 111.487 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 3 5 1 1 . . 7.016 . . 1 . 1 1 31 ASN HD22 . . . . . . . . . . 67 . 18729 3 5 2 1 . . 38.193 . . 1 . 1 1 31 ASN CB . . . . . . . . . . 71 . 18729 3 5 3 1 . . 112.833 . . 1 . 1 1 31 ASN ND2 . . . . . . . . . . 66 . 18729 3 6 1 1 . . 7.640 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 3 6 2 1 . . 38.134 . . 1 . 1 1 31 ASN CB . . . . . . . . . . 71 . 18729 3 6 3 1 . . 112.778 . . 1 . 1 1 31 ASN ND2 . . . . . . . . . . 66 . 18729 3 7 1 1 . . 7.641 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 3 7 2 1 . . 54.807 . . 1 . 1 1 31 ASN CA . . . . . . . . . . 68 . 18729 3 7 3 1 . . 112.791 . . 1 . 1 1 31 ASN ND2 . . . . . . . . . . 66 . 18729 3 8 1 1 . . 7.020 . . 1 . 1 1 31 ASN HD22 . . . . . . . . . . 67 . 18729 3 8 2 1 . . 54.839 . . 1 . 1 1 31 ASN CA . . . . . . . . . . 68 . 18729 3 8 3 1 . . 112.780 . . 1 . 1 1 31 ASN ND2 . . . . . . . . . . 66 . 18729 3 9 1 1 . . 8.875 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 3 9 2 1 . . 57.023 . . 1 . 1 1 21 CYS CA . . . . . . . . . . 74 . 18729 3 9 3 1 . . 109.365 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 3 10 1 1 . . 8.876 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 3 10 2 1 . . 38.647 . . 1 . 1 1 21 CYS CB . . . . . . . . . . 73 . 18729 3 10 3 1 . . 109.360 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 3 11 1 1 . . 9.256 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 3 11 2 1 . . 55.342 . . 1 . 1 1 20 CYS CA . . . . . . . . . . 75 . 18729 3 11 3 1 . . 122.632 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 3 12 1 1 . . 9.256 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 3 12 2 1 . . 36.560 . . 1 . 1 1 20 CYS CB . . . . . . . . . . 76 . 18729 3 12 3 1 . . 122.626 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 3 13 1 1 . . 9.442 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 3 13 2 1 . . 55.754 . . 1 . 1 1 19 TRP CA . . . . . . . . . . 77 . 18729 3 13 3 1 . . 120.736 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 3 14 1 1 . . 9.441 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 3 14 2 1 . . 30.019 . . 1 . 1 1 19 TRP CB . . . . . . . . . . 78 . 18729 3 14 3 1 . . 120.719 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 3 15 1 1 . . 8.222 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 3 15 2 1 . . 53.610 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 80 . 18729 3 15 3 1 . . 126.898 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 3 16 1 1 . . 8.219 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 3 16 2 1 . . 41.842 . . 1 . 1 1 18 ASP CB . . . . . . . . . . 79 . 18729 3 16 3 1 . . 126.869 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 3 17 1 1 . . 8.603 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 3 17 2 1 . . 44.354 . . 1 . 1 1 17 GLY CA . . . . . . . . . . 81 . 18729 3 17 3 1 . . 119.854 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 3 18 1 1 . . 7.660 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 3 18 2 1 . . 54.939 . . 1 . 1 1 16 MET CA . . . . . . . . . . 83 . 18729 3 18 3 1 . . 109.258 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 3 19 1 1 . . 7.659 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 3 19 2 1 . . 33.780 . . 1 . 1 1 16 MET CB . . . . . . . . . . 82 . 18729 3 19 3 1 . . 109.268 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 3 20 1 1 . . 8.322 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 3 20 2 2 . . 44.644 . . 1 . 1 1 7 GLY CA . . . . . . . . . . 95 . 18729 3 20 3 1 . . 108.190 . . 1 . 1 1 8 GLY N . . . . . . . . . . 29 . 18729 3 21 1 1 . . 8.418 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 3 21 2 1 . . 54.758 . . 1 . 1 1 31 ASN CA . . . . . . . . . . 68 . 18729 3 21 3 1 . . 114.584 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 3 22 1 1 . . 8.418 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 3 22 2 1 . . 38.139 . . 1 . 1 1 31 ASN CB . . . . . . . . . . 71 . 18729 3 22 3 1 . . 114.584 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 3 23 1 1 . . 8.690 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 3 23 2 1 . . 53.919 . . 1 . 1 1 30 ARG CA . . . . . . . . . . 86 . 18729 3 23 3 1 . . 115.698 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 3 24 1 1 . . 8.693 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 3 24 2 1 . . 34.190 . . 1 . 1 1 30 ARG CB . . . . . . . . . . 85 . 18729 3 24 3 1 . . 115.739 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 3 25 1 1 . . 9.612 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 3 25 2 1 . . 53.500 . . 1 . 1 1 29 CYS CA . . . . . . . . . . 88 . 18729 3 25 3 1 . . 125.091 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 3 26 1 1 . . 9.611 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 3 26 2 1 . . 35.905 . . 1 . 1 1 29 CYS CB . . . . . . . . . . 87 . 18729 3 26 3 1 . . 125.132 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 3 27 1 1 . . 8.986 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 3 27 2 1 . . 54.673 . . 1 . 1 1 28 GLU CA . . . . . . . . . . 89 . 18729 3 27 3 1 . . 125.058 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 3 28 1 1 . . 8.986 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 3 28 2 1 . . 33.723 . . 1 . 1 1 28 GLU CB . . . . . . . . . . 90 . 18729 3 28 3 1 . . 125.073 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 3 29 1 1 . . 7.870 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 3 29 2 1 . . 57.287 . . 1 . 1 1 27 ASN CA . . . . . . . . . . 91 . 18729 3 29 3 1 . . 121.228 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 3 30 1 1 . . 7.871 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 3 30 2 1 . . 37.821 . . 1 . 1 1 27 ASN CB . . . . . . . . . . 92 . 18729 3 30 3 1 . . 121.234 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 3 31 1 1 . . 8.367 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 3 31 2 1 . . 27.429 . . 1 . 1 1 26 ARG CB . . . . . . . . . . 94 . 18729 3 31 3 1 . . 106.078 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 3 32 1 1 . . 8.369 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 3 32 2 1 . . 57.538 . . 1 . 1 1 26 ARG CA . . . . . . . . . . 93 . 18729 3 32 3 2 . . 106.081 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 3 33 1 1 . . 9.558 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 3 33 2 1 . . 37.290 . . 1 . 1 1 6 ASN CB . . . . . . . . . . 70 . 18729 3 33 3 1 . . 113.143 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 3 34 1 1 . . 9.558 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 3 34 2 1 . . 54.117 . . 1 . 1 1 6 ASN CA . . . . . . . . . . 69 . 18729 3 34 3 1 . . 113.077 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 3 35 1 1 . . 8.703 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 3 35 2 1 . . 30.361 . . 1 . 1 1 5 GLU CB . . . . . . . . . . 97 . 18729 3 35 3 1 . . 119.214 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 3 36 1 1 . . 8.703 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 3 36 2 1 . . 56.050 . . 1 . 1 1 5 GLU CA . . . . . . . . . . 96 . 18729 3 36 3 1 . . 119.312 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 3 37 1 1 . . 8.988 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 3 37 2 1 . . 64.434 . . 1 . 1 1 4 VAL CA . . . . . . . . . . 98 . 18729 3 37 3 1 . . 129.794 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 3 38 1 1 . . 8.990 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 3 38 2 1 . . 32.170 . . 1 . 1 1 4 VAL CB . . . . . . . . . . 99 . 18729 3 38 3 1 . . 129.790 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 3 39 1 1 . . 10.604 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 3 39 2 1 . . 54.213 . . 1 . 1 1 23 ARG CA . . . . . . . . . . 102 . 18729 3 39 3 1 . . 127.182 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 3 40 1 1 . . 10.604 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 3 40 2 1 . . 34.340 . . 1 . 1 1 23 ARG CB . . . . . . . . . . 101 . 18729 3 40 3 1 . . 127.161 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 3 41 1 1 . . 9.147 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 3 41 2 1 . . 44.670 . . 1 . 1 1 22 GLY CA . . . . . . . . . . 72 . 18729 3 41 3 1 . . 125.357 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 3 42 1 1 . . 8.761 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 3 42 2 1 . . 56.680 . . 1 . 1 1 24 CYS CA . . . . . . . . . . 100 . 18729 3 42 3 1 . . 132.512 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 3 43 1 1 . . 8.763 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 3 43 2 2 . . 39.053 . . 1 . 1 1 24 CYS CB . . . . . . . . . . 103 . 18729 3 43 3 1 . . 132.469 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 3 44 1 1 . . 9.269 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 3 44 2 1 . . 39.512 . . 1 . 1 1 25 ILE CB . . . . . . . . . . 104 . 18729 3 44 3 1 . . 128.830 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 3 45 1 1 . . 9.267 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 3 45 2 1 . . 60.100 . . 1 . 1 1 25 ILE CA . . . . . . . . . . 105 . 18729 3 45 3 1 . . 128.815 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 3 46 1 1 . . 8.430 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 3 46 2 1 . . 44.532 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 110 . 18729 3 46 3 1 . . 120.604 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 3 47 1 1 . . 6.937 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 3 47 2 1 . . 39.603 . . 1 . 1 1 9 PHE CB . . . . . . . . . . 107 . 18729 3 47 3 1 . . 122.498 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 3 48 1 1 . . 6.939 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 3 48 2 1 . . 58.637 . . 1 . 1 1 9 PHE CA . . . . . . . . . . 106 . 18729 3 48 3 1 . . 122.544 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 3 49 1 1 . . 8.804 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 3 49 2 1 . . 54.064 . . 1 . 1 1 3 CYS CA . . . . . . . . . . 111 . 18729 3 49 3 1 . . 121.890 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 3 50 1 1 . . 8.807 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 3 50 2 1 . . 41.423 . . 1 . 1 1 3 CYS CB . . . . . . . . . . 112 . 18729 3 50 3 1 . . 121.932 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 3 51 1 1 . . 7.930 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 3 51 2 1 . . 57.207 . . 1 . 1 1 15 LYS CA . . . . . . . . . . 113 . 18729 3 51 3 1 . . 114.959 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 3 52 1 1 . . 7.928 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 3 52 2 1 . . 33.931 . . 1 . 1 1 15 LYS CB . . . . . . . . . . 140 . 18729 3 52 3 1 . . 114.856 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 3 53 1 1 . . 7.454 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 3 53 2 1 . . 58.587 . . 1 . 1 1 14 GLU CA . . . . . . . . . . 115 . 18729 3 53 3 1 . . 116.267 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 3 54 1 1 . . 7.455 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 3 54 2 1 . . 28.803 . . 1 . 1 1 14 GLU CB . . . . . . . . . . 114 . 18729 3 54 3 1 . . 116.263 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 3 55 1 1 . . 8.736 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 3 55 2 1 . . 31.868 . . 1 . 1 1 13 PRO CB . . . . . . . . . . 117 . 18729 3 55 3 1 . . 119.884 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 3 56 1 1 . . 8.735 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 3 56 2 1 . . 63.703 . . 1 . 1 1 13 PRO CA . . . . . . . . . . 116 . 18729 3 56 3 1 . . 119.884 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 3 57 1 1 . . 8.118 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 3 57 2 1 . . 32.376 . . 1 . 1 1 11 PRO CB . . . . . . . . . . 121 . 18729 3 57 3 1 . . 117.086 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 3 58 1 1 . . 8.118 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 3 58 2 1 . . 60.830 . . 1 . 1 1 11 PRO CA . . . . . . . . . . 120 . 18729 3 58 3 1 . . 117.061 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 3 59 1 1 . . 7.989 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 3 59 2 1 . . 57.300 . . 1 . 1 1 27 ASN CA . . . . . . . . . . 91 . 18729 3 59 3 1 . . 108.043 . . 1 . 1 1 27 ASN ND2 . . . . . . . . . . 35 . 18729 3 60 1 1 . . 6.852 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 3 60 2 1 . . 57.239 . . 1 . 1 1 27 ASN CA . . . . . . . . . . 91 . 18729 3 60 3 2 . . 107.948 . . 1 . 1 1 27 ASN ND2 . . . . . . . . . . 35 . 18729 3 61 1 1 . . 8.256 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 3 61 2 1 . . 30.172 . . 1 . 1 1 2 GLU CB . . . . . . . . . . 152 . 18729 3 61 3 1 . . 118.051 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 3 62 1 1 . . 8.257 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 3 62 2 1 . . 56.252 . . 1 . 1 1 2 GLU CA . . . . . . . . . . 153 . 18729 3 62 3 1 . . 118.094 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 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 18729 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 4 _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 . . H 1 1H . . 2968.75000000 . . . . . . . 18729 4 2 . . C 13 13C . . 2500.00000000 . . . . . . . 18729 4 3 . . N 15 15N . . 2129.24518258 . . . . . . . 18729 4 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 4 2 1.0 . . 18729 4 3 1.0 . . 18729 4 4 1.0 . . 18729 4 5 1.0 . . 18729 4 6 1.0 . . 18729 4 7 1.0 . . 18729 4 8 1.0 . . 18729 4 9 1.0 . . 18729 4 10 1.0 . . 18729 4 11 1.0 . . 18729 4 12 1.0 . . 18729 4 13 1.0 . . 18729 4 14 1.0 . . 18729 4 15 1.0 . . 18729 4 16 1.0 . . 18729 4 17 1.0 . . 18729 4 18 1.0 . . 18729 4 19 1.0 . . 18729 4 20 1.0 . . 18729 4 21 1.0 . . 18729 4 22 1.0 . . 18729 4 23 1.0 . . 18729 4 24 1.0 . . 18729 4 25 1.0 . . 18729 4 26 1.0 . . 18729 4 27 1.0 . . 18729 4 28 1.0 . . 18729 4 29 1.0 . . 18729 4 30 1.0 . . 18729 4 31 1.0 . . 18729 4 32 1.0 . . 18729 4 33 1.0 . . 18729 4 34 1.0 . . 18729 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 7340404.000 . height 18729 4 1 154988291.000 . volume 18729 4 2 5231888.500 . height 18729 4 2 112638710.000 . volume 18729 4 3 5421026.000 . height 18729 4 3 116551250.750 . volume 18729 4 4 5534666.500 . height 18729 4 4 119610937.000 . volume 18729 4 5 5777177.000 . height 18729 4 5 124912212.250 . volume 18729 4 6 6027206.000 . height 18729 4 6 125885038.000 . volume 18729 4 7 2899614.000 . height 18729 4 7 63548295.125 . volume 18729 4 8 1433333.125 . height 18729 4 8 32296248.500 . volume 18729 4 9 6003828.500 . height 18729 4 9 126670248.250 . volume 18729 4 10 3108178.000 . height 18729 4 10 67821515.750 . volume 18729 4 11 4458180.000 . height 18729 4 11 100025910.750 . volume 18729 4 12 9627664.000 . height 18729 4 12 213874025.500 . volume 18729 4 13 5078507.000 . height 18729 4 13 110806101.750 . volume 18729 4 14 5780158.500 . height 18729 4 14 123253177.250 . volume 18729 4 15 6225027.000 . height 18729 4 15 131315985.500 . volume 18729 4 16 5273947.000 . height 18729 4 16 113491387.000 . volume 18729 4 17 3872993.500 . height 18729 4 17 83369569.500 . volume 18729 4 18 5622132.000 . height 18729 4 18 120819464.250 . volume 18729 4 19 5680947.500 . height 18729 4 19 121035463.250 . volume 18729 4 20 6123767.000 . height 18729 4 20 129837031.000 . volume 18729 4 21 7337210.500 . height 18729 4 21 154571947.500 . volume 18729 4 22 6474760.000 . height 18729 4 22 137358168.750 . volume 18729 4 23 6890289.000 . height 18729 4 23 144433401.250 . volume 18729 4 24 2919128.500 . height 18729 4 24 63301023.500 . volume 18729 4 25 6047559.500 . height 18729 4 25 131099257.250 . volume 18729 4 26 6117425.500 . height 18729 4 26 129966258.000 . volume 18729 4 27 6274714.000 . height 18729 4 27 132957266.500 . volume 18729 4 28 7199271.500 . height 18729 4 28 153883275.000 . volume 18729 4 29 4709242.500 . height 18729 4 29 101735436.000 . volume 18729 4 30 3071308.000 . height 18729 4 30 69282546.750 . volume 18729 4 31 6674049.000 . height 18729 4 31 142168701.500 . volume 18729 4 32 6818434.000 . height 18729 4 32 146096391.000 . volume 18729 4 33 10031755.000 . height 18729 4 33 209975724.500 . volume 18729 4 34 4661554.000 . height 18729 4 34 100304766.000 . volume 18729 4 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.423 . 25.2749025822 . . . . . . . . . . 1 18729 4 1 2 175.055 . 38.7667864561 . . . . . . . . . . 1 18729 4 1 3 114.620 . 20.1438697499 . . . . . . . . . . 1 18729 4 2 1 8.698 . 24.4255363941 . . . . . . . . . . 1 18729 4 2 2 175.241 . 40.5830889940 . . . . . . . . . . 1 18729 4 2 3 115.762 . 23.6494579496 . . . . . . . . . . 1 18729 4 3 1 9.620 . 24.7669965029 . . . . . . . . . . 1 18729 4 3 2 176.235 . 39.0357524157 . . . . . . . . . . 1 18729 4 3 3 125.175 . 24.2484868506 . . . . . . . . . . 1 18729 4 4 1 8.994 . 24.0494310856 . . . . . . . . . . 1 18729 4 4 2 175.896 . 39.1190499067 . . . . . . . . . . 1 18729 4 4 3 125.101 . 26.3161518621 . . . . . . . . . . 1 18729 4 5 1 7.877 . 24.4365632534 . . . . . . . . . . 1 18729 4 5 2 174.109 . 39.9188697338 . . . . . . . . . . 1 18729 4 5 3 121.315 . 24.7037868892 . . . . . . . . . . 1 18729 4 6 1 8.374 . 23.5740840435 . . . . . . . . . . 1 18729 4 6 2 175.514 . 38.5148823261 . . . . . . . . . . 1 18729 4 6 3 106.114 . 20.0753367824 . . . . . . . . . . 1 18729 4 7 1 7.996 . 24.2459774017 . . . . . . . . . . 1 18729 4 7 2 180.772 . 46.1502745748 . . . . . . . . . . 1 18729 4 7 3 108.161 . 23.2522205640 . . . . . . . . . . 1 18729 4 8 1 6.855 . 25.9238481522 . . . . . . . . . . 1 18729 4 8 2 180.768 . 47.5190579891 . . . . . . . . . . 1 18729 4 8 3 108.158 . 28.6881540145 . . . . . . . . . . 1 18729 4 9 1 8.770 . 25.8447229862 . . . . . . . . . . 1 18729 4 9 2 174.807 . 38.0989909172 . . . . . . . . . . 1 18729 4 9 3 132.538 . 20.0004581698 . . . . . . . . . . 1 18729 4 10 1 10.615 . 26.8383324146 . . . . . . . . . . 1 18729 4 10 2 174.053 . 40.8001244068 . . . . . . . . . . 1 18729 4 10 3 127.242 . 24.0524698723 . . . . . . . . . . 1 18729 4 11 1 7.025 . 24.5310366154 . . . . . . . . . . 1 18729 4 11 2 177.319 . 48.4625995159 . . . . . . . . . . 1 18729 4 11 3 112.808 . 28.1523277391 . . . . . . . . . . 1 18729 4 12 1 7.640 . 25.4771113396 . . . . . . . . . . 1 18729 4 12 2 177.317 . 50.5700707436 . . . . . . . . . . 1 18729 4 12 3 112.819 . 23.1737883901 . . . . . . . . . . 1 18729 4 13 1 9.154 . 24.5427340269 . . . . . . . . . . 1 18729 4 13 2 172.121 . 43.4513390064 . . . . . . . . . . 1 18729 4 13 3 125.382 . 23.6631010866 . . . . . . . . . . 1 18729 4 14 1 8.883 . 26.4483690262 . . . . . . . . . . 1 18729 4 14 2 176.766 . 39.9675220251 . . . . . . . . . . 1 18729 4 14 3 109.433 . 19.9075579250 . . . . . . . . . . 1 18729 4 15 1 9.263 . 25.5384296179 . . . . . . . . . . 1 18729 4 15 2 175.441 . 39.0049815178 . . . . . . . . . . 1 18729 4 15 3 122.703 . 20.3356351459 . . . . . . . . . . 1 18729 4 16 1 9.449 . 24.3279337883 . . . . . . . . . . 1 18729 4 16 2 177.178 . 39.2097979784 . . . . . . . . . . 1 18729 4 16 3 120.776 . 24.7695277728 . . . . . . . . . . 1 18729 4 17 1 8.225 . 24.3400037289 . . . . . . . . . . 1 18729 4 17 2 177.569 . 39.8974865675 . . . . . . . . . . 1 18729 4 17 3 126.952 . 24.1572999299 . . . . . . . . . . 1 18729 4 18 1 8.611 . 24.2261588573 . . . . . . . . . . 1 18729 4 18 2 171.824 . 40.4748320580 . . . . . . . . . . 1 18729 4 18 3 119.918 . 23.1149008032 . . . . . . . . . . 1 18729 4 19 1 7.664 . 25.0583887100 . . . . . . . . . . 1 18729 4 19 2 177.284 . 38.9812141657 . . . . . . . . . . 1 18729 4 19 3 109.285 . 22.0424867750 . . . . . . . . . . 1 18729 4 20 1 7.932 . 25.0580906868 . . . . . . . . . . 1 18729 4 20 2 177.799 . 40.8940017223 . . . . . . . . . . 1 18729 4 20 3 114.938 . 20.0088344214 . . . . . . . . . . 1 18729 4 21 1 7.459 . 25.7754325867 . . . . . . . . . . 1 18729 4 21 2 177.323 . 39.0980392694 . . . . . . . . . . 1 18729 4 21 3 116.351 . 19.1807277309 . . . . . . . . . . 1 18729 4 22 1 8.743 . 23.1951475143 . . . . . . . . . . 1 18729 4 22 2 179.025 . 41.3097441196 . . . . . . . . . . 1 18729 4 22 3 119.926 . 22.3564692964 . . . . . . . . . . 1 18729 4 23 1 8.123 . 23.5806405544 . . . . . . . . . . 1 18729 4 23 2 173.995 . 40.9360229969 . . . . . . . . . . 1 18729 4 23 3 117.130 . 19.4147551236 . . . . . . . . . . 1 18729 4 24 1 6.941 . 26.6438722610 . . . . . . . . . . 1 18729 4 24 2 174.210 . 39.8001074791 . . . . . . . . . . 1 18729 4 24 3 122.648 . 24.3060418520 . . . . . . . . . . 1 18729 4 25 1 8.437 . 23.8668918610 . . . . . . . . . . 1 18729 4 25 2 171.789 . 41.9808924198 . . . . . . . . . . 1 18729 4 25 3 120.668 . 23.7895063378 . . . . . . . . . . 1 18729 4 26 1 8.328 . 24.5243310928 . . . . . . . . . . 1 18729 4 26 2 174.920 . 41.1940366030 . . . . . . . . . . 1 18729 4 26 3 108.256 . 19.9687299441 . . . . . . . . . . 1 18729 4 27 1 9.568 . 25.0642746687 . . . . . . . . . . 1 18729 4 27 2 176.263 . 40.1822477579 . . . . . . . . . . 1 18729 4 27 3 113.177 . 19.9621304732 . . . . . . . . . . 1 18729 4 28 1 8.710 . 23.7880647182 . . . . . . . . . . 1 18729 4 28 2 175.248 . 38.9646738768 . . . . . . . . . . 1 18729 4 28 3 119.327 . 23.6329592722 . . . . . . . . . . 1 18729 4 29 1 7.618 . 23.3241915703 . . . . . . . . . . 1 18729 4 29 2 175.812 . 44.1139191389 . . . . . . . . . . 1 18729 4 29 3 111.480 . 24.0484721158 . . . . . . . . . . 1 18729 4 30 1 7.038 . 26.9629061222 . . . . . . . . . . 1 18729 4 30 2 175.805 . 43.5453653336 . . . . . . . . . . 1 18729 4 30 3 111.486 . 28.5707595794 . . . . . . . . . . 1 18729 4 31 1 8.998 . 24.1764634848 . . . . . . . . . . 1 18729 4 31 2 175.188 . 41.2602722645 . . . . . . . . . . 1 18729 4 31 3 129.855 . 21.1827787718 . . . . . . . . . . 1 18729 4 32 1 8.812 . 24.2057442665 . . . . . . . . . . 1 18729 4 32 2 173.414 . 40.5931472778 . . . . . . . . . . 1 18729 4 32 3 121.997 . 22.0019381026 . . . . . . . . . . 1 18729 4 33 1 8.264 . 24.3963301182 . . . . . . . . . . 1 18729 4 33 2 175.677 . 39.7294014692 . . . . . . . . . . 1 18729 4 33 3 118.128 . 18.8251177774 . . . . . . . . . . 1 18729 4 34 1 9.279 . 25.6416201591 . . . . . . . . . . 1 18729 4 34 2 175.200 . 42.7029281855 . . . . . . . . . . 1 18729 4 34 3 128.864 . 20.8043244958 . . . . . . . . . . 1 18729 4 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.423 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 4 1 2 1 . . 175.055 . . 1 . 1 1 31 ASN C . . . . . . . . . . 122 . 18729 4 1 3 1 . . 114.620 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 4 2 1 1 . . 8.698 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 4 2 2 1 . . 175.241 . . 1 . 1 1 30 ARG C . . . . . . . . . . 123 . 18729 4 2 3 1 . . 115.762 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 4 3 1 1 . . 9.620 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 4 3 2 1 . . 176.235 . . 1 . 1 1 29 CYS C . . . . . . . . . . 124 . 18729 4 3 3 1 . . 125.175 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 4 4 1 1 . . 8.994 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 4 4 2 1 . . 175.896 . . 1 . 1 1 28 GLU C . . . . . . . . . . 125 . 18729 4 4 3 1 . . 125.101 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 4 5 1 1 . . 7.877 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 4 5 2 1 . . 174.109 . . 1 . 1 1 27 ASN C . . . . . . . . . . 126 . 18729 4 5 3 1 . . 121.315 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 4 6 1 1 . . 8.374 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 4 6 2 1 . . 175.514 . . 1 . 1 1 26 ARG C . . . . . . . . . . 127 . 18729 4 6 3 1 . . 106.114 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 4 7 1 1 . . 7.996 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 4 7 2 1 . . 180.772 . . 1 . 1 1 27 ASN CG . . . . . . . . . . 128 . 18729 4 7 3 1 . . 108.161 . . 1 . 1 1 27 ASN ND2 . . . . . . . . . . 35 . 18729 4 8 1 1 . . 6.855 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 4 8 2 1 . . 180.768 . . 1 . 1 1 27 ASN CG . . . . . . . . . . 128 . 18729 4 8 3 1 . . 108.158 . . 1 . 1 1 27 ASN ND2 . . . . . . . . . . 35 . 18729 4 9 1 1 . . 8.770 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 4 9 2 1 . . 174.807 . . 1 . 1 1 24 CYS C . . . . . . . . . . 129 . 18729 4 9 3 1 . . 132.538 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 4 10 1 1 . . 10.615 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 4 10 2 2 . . 174.053 . . 1 . 1 1 23 ARG C . . . . . . . . . . 130 . 18729 4 10 3 1 . . 127.242 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 4 11 1 1 . . 7.025 . . 1 . 1 1 31 ASN HD22 . . . . . . . . . . 67 . 18729 4 11 2 1 . . 177.319 . . 1 . 1 1 31 ASN CG . . . . . . . . . . 131 . 18729 4 11 3 1 . . 112.808 . . 1 . 1 1 31 ASN ND2 . . . . . . . . . . 66 . 18729 4 12 1 1 . . 7.640 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 4 12 2 1 . . 177.317 . . 1 . 1 1 31 ASN CG . . . . . . . . . . 131 . 18729 4 12 3 1 . . 112.819 . . 1 . 1 1 31 ASN ND2 . . . . . . . . . . 66 . 18729 4 13 1 1 . . 9.154 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 4 13 2 1 . . 172.121 . . 1 . 1 1 22 GLY C . . . . . . . . . . 132 . 18729 4 13 3 1 . . 125.382 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 4 14 1 1 . . 8.883 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 4 14 2 1 . . 176.766 . . 1 . 1 1 21 CYS C . . . . . . . . . . 133 . 18729 4 14 3 1 . . 109.433 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 4 15 1 1 . . 9.263 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 4 15 2 2 . . 175.441 . . 1 . 1 1 20 CYS C . . . . . . . . . . 134 . 18729 4 15 3 1 . . 122.703 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 4 16 1 1 . . 9.449 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 4 16 2 1 . . 177.178 . . 1 . 1 1 19 TRP C . . . . . . . . . . 135 . 18729 4 16 3 1 . . 120.776 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 4 17 1 1 . . 8.225 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 4 17 2 1 . . 177.569 . . 1 . 1 1 18 ASP C . . . . . . . . . . 136 . 18729 4 17 3 1 . . 126.952 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 4 18 1 1 . . 8.611 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 4 18 2 1 . . 171.824 . . 1 . 1 1 17 GLY C . . . . . . . . . . 137 . 18729 4 18 3 1 . . 119.918 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 4 19 1 1 . . 7.664 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 4 19 2 1 . . 177.284 . . 1 . 1 1 16 MET C . . . . . . . . . . 138 . 18729 4 19 3 1 . . 109.285 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 4 20 1 1 . . 7.932 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 4 20 2 1 . . 177.799 . . 1 . 1 1 15 LYS C . . . . . . . . . . 139 . 18729 4 20 3 1 . . 114.938 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 4 21 1 1 . . 7.459 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 4 21 2 1 . . 177.323 . . 1 . 1 1 14 GLU C . . . . . . . . . . 141 . 18729 4 21 3 1 . . 116.351 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 4 22 1 1 . . 8.743 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 4 22 2 1 . . 179.025 . . 1 . 1 1 13 PRO C . . . . . . . . . . 142 . 18729 4 22 3 1 . . 119.926 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 4 23 1 1 . . 8.123 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 4 23 2 1 . . 173.995 . . 1 . 1 1 11 PRO C . . . . . . . . . . 143 . 18729 4 23 3 1 . . 117.130 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 4 24 1 1 . . 6.941 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 4 24 2 1 . . 174.210 . . 1 . 1 1 9 PHE C . . . . . . . . . . 144 . 18729 4 24 3 1 . . 122.648 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 4 25 1 1 . . 8.437 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 4 25 2 1 . . 171.789 . . 1 . 1 1 8 GLY C . . . . . . . . . . 145 . 18729 4 25 3 1 . . 120.668 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 4 26 1 1 . . 8.328 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 4 26 2 1 . . 174.920 . . 1 . 1 1 7 GLY C . . . . . . . . . . 146 . 18729 4 26 3 1 . . 108.256 . . 1 . 1 1 8 GLY N . . . . . . . . . . 29 . 18729 4 27 1 1 . . 9.568 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 4 27 2 1 . . 176.263 . . 1 . 1 1 6 ASN C . . . . . . . . . . 147 . 18729 4 27 3 1 . . 113.177 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 4 28 1 1 . . 8.710 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 4 28 2 1 . . 175.248 . . 1 . 1 1 5 GLU C . . . . . . . . . . 148 . 18729 4 28 3 1 . . 119.327 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 4 29 1 1 . . 7.618 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 4 29 2 1 . . 175.812 . . 1 . 1 1 6 ASN CG . . . . . . . . . . 149 . 18729 4 29 3 1 . . 111.480 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 4 30 1 1 . . 7.038 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 4 30 2 1 . . 175.805 . . 1 . 1 1 6 ASN CG . . . . . . . . . . 149 . 18729 4 30 3 1 . . 111.486 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 4 31 1 1 . . 8.998 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 4 31 2 1 . . 175.188 . . 1 . 1 1 4 VAL C . . . . . . . . . . 150 . 18729 4 31 3 1 . . 129.855 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 4 32 1 1 . . 8.812 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 4 32 2 1 . . 173.414 . . 1 . 1 1 3 CYS C . . . . . . . . . . 151 . 18729 4 32 3 1 . . 121.997 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 4 33 1 1 . . 8.264 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 4 33 2 1 . . 175.677 . . 1 . 1 1 2 GLU C . . . . . . . . . . 154 . 18729 4 33 3 1 . . 118.128 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 4 34 1 1 . . 9.279 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 4 34 2 1 . . 175.200 . . 1 . 1 1 25 ILE C . . . . . . . . . . 155 . 18729 4 34 3 1 . . 128.864 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 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 18729 _Spectral_peak_list.ID 5 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D HBHA(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _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 . . H 1 1H . . 2968.75000000 . . . . . . . 18729 5 2 . . H 1 1H . . 4000.00000000 . . . . . . . 18729 5 3 . . N 15 15N . . 2129.24518258 . . . . . . . 18729 5 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 5 2 1.0 . . 18729 5 3 1.0 . . 18729 5 4 1.0 . . 18729 5 5 1.0 . . 18729 5 6 1.0 . . 18729 5 7 1.0 . . 18729 5 8 1.0 . . 18729 5 9 1.0 . . 18729 5 10 1.0 . . 18729 5 11 1.0 . . 18729 5 12 1.0 . . 18729 5 13 1.0 . . 18729 5 14 1.0 . . 18729 5 15 1.0 . . 18729 5 16 1.0 . . 18729 5 17 1.0 . . 18729 5 18 1.0 . . 18729 5 19 1.0 . . 18729 5 20 1.0 . . 18729 5 21 1.0 . . 18729 5 22 1.0 . . 18729 5 23 1.0 . . 18729 5 24 1.0 . . 18729 5 25 1.0 . . 18729 5 26 1.0 . . 18729 5 27 1.0 . . 18729 5 28 1.0 . . 18729 5 29 1.0 . . 18729 5 30 1.0 . . 18729 5 31 1.0 . . 18729 5 32 1.0 . . 18729 5 33 1.0 . . 18729 5 34 1.0 . . 18729 5 35 1.0 . . 18729 5 36 1.0 . . 18729 5 37 1.0 . . 18729 5 38 1.0 . . 18729 5 39 1.0 . . 18729 5 40 1.0 . . 18729 5 41 1.0 . . 18729 5 42 1.0 . . 18729 5 43 1.0 . . 18729 5 44 1.0 . . 18729 5 45 1.0 . . 18729 5 46 1.0 . . 18729 5 47 1.0 . . 18729 5 48 1.0 . . 18729 5 49 1.0 . . 18729 5 50 1.0 . . 18729 5 51 1.0 . . 18729 5 52 1.0 . . 18729 5 53 1.0 . . 18729 5 54 1.0 . . 18729 5 55 1.0 . . 18729 5 56 1.0 . . 18729 5 57 1.0 . . 18729 5 58 1.0 . . 18729 5 59 1.0 . . 18729 5 60 1.0 . . 18729 5 61 1.0 . . 18729 5 62 1.0 . . 18729 5 63 1.0 . . 18729 5 64 1.0 . . 18729 5 65 1.0 . . 18729 5 66 1.0 . . 18729 5 67 1.0 . . 18729 5 68 1.0 . . 18729 5 69 1.0 . . 18729 5 70 1.0 . . 18729 5 71 1.0 . . 18729 5 72 1.0 . . 18729 5 73 1.0 . . 18729 5 74 1.0 . . 18729 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 3458159.500 . height 18729 5 1 74750071.375 . volume 18729 5 2 3188837.500 . height 18729 5 2 68557144.625 . volume 18729 5 3 3206810.500 . height 18729 5 3 69497730.625 . volume 18729 5 4 2378210.500 . height 18729 5 4 52428859.875 . volume 18729 5 5 2263776.000 . height 18729 5 5 50372945.500 . volume 18729 5 6 3453454.750 . height 18729 5 6 73155530.500 . volume 18729 5 7 1054406.125 . height 18729 5 7 23138268.875 . volume 18729 5 8 1177215.750 . height 18729 5 8 25793106.125 . volume 18729 5 9 2753748.500 . height 18729 5 9 58814608.750 . volume 18729 5 10 1553175.750 . height 18729 5 10 33527740.250 . volume 18729 5 11 1695638.875 . height 18729 5 11 36193493.750 . volume 18729 5 12 4005817.000 . height 18729 5 12 85343547.125 . volume 18729 5 13 3512958.250 . height 18729 5 13 75552261.125 . volume 18729 5 14 2574454.500 . height 18729 5 14 55012983.000 . volume 18729 5 15 1646984.750 . height 18729 5 15 35756757.250 . volume 18729 5 16 1840615.125 . height 18729 5 16 40361669.625 . volume 18729 5 17 3207842.500 . height 18729 5 17 68529285.250 . volume 18729 5 18 439963.250 . height 18729 5 18 9798387.750 . volume 18729 5 19 461902.000 . height 18729 5 19 10541169.875 . volume 18729 5 20 2684625.500 . height 18729 5 20 57287777.625 . volume 18729 5 21 1692133.875 . height 18729 5 21 35941155.500 . volume 18729 5 22 2369933.000 . height 18729 5 22 50140025.750 . volume 18729 5 23 1581934.625 . height 18729 5 23 33834385.750 . volume 18729 5 24 2742628.500 . height 18729 5 24 58404491.375 . volume 18729 5 25 2545707.250 . height 18729 5 25 54930920.000 . volume 18729 5 26 2852045.750 . height 18729 5 26 61099967.125 . volume 18729 5 27 3406574.250 . height 18729 5 27 72969542.375 . volume 18729 5 28 3898904.000 . height 18729 5 28 82966870.375 . volume 18729 5 29 2496329.000 . height 18729 5 29 53626467.750 . volume 18729 5 30 1164777.375 . height 18729 5 30 25964748.750 . volume 18729 5 31 1509302.750 . height 18729 5 31 32398031.000 . volume 18729 5 32 1737334.750 . height 18729 5 32 36858066.750 . volume 18729 5 33 1520832.375 . height 18729 5 33 33007797.500 . volume 18729 5 34 3487643.500 . height 18729 5 34 75195238.750 . volume 18729 5 35 1467053.000 . height 18729 5 35 31067492.125 . volume 18729 5 36 1140372.125 . height 18729 5 36 24122261.500 . volume 18729 5 37 3068305.500 . height 18729 5 37 65154712.875 . volume 18729 5 38 2143875.000 . height 18729 5 38 45383869.625 . volume 18729 5 39 1364716.875 . height 18729 5 39 28932066.250 . volume 18729 5 40 1793068.500 . height 18729 5 40 37761080.250 . volume 18729 5 41 3038058.500 . height 18729 5 41 65379943.125 . volume 18729 5 42 998515.125 . height 18729 5 42 21449957.000 . volume 18729 5 43 992344.000 . height 18729 5 43 21413704.500 . volume 18729 5 44 4300137.000 . height 18729 5 44 92581599.750 . volume 18729 5 45 1395210.500 . height 18729 5 45 31231256.500 . volume 18729 5 46 1264595.375 . height 18729 5 46 28083930.000 . volume 18729 5 47 3595242.500 . height 18729 5 47 77631789.750 . volume 18729 5 48 2997120.500 . height 18729 5 48 63716297.500 . volume 18729 5 49 3995983.000 . height 18729 5 49 84563016.500 . volume 18729 5 50 2415824.500 . height 18729 5 50 52602723.125 . volume 18729 5 51 3864704.500 . height 18729 5 51 81206815.500 . volume 18729 5 52 895933.000 . height 18729 5 52 19980303.375 . volume 18729 5 53 1287775.500 . height 18729 5 53 27793602.875 . volume 18729 5 54 3570657.500 . height 18729 5 54 76449841.000 . volume 18729 5 55 1337708.000 . height 18729 5 55 28772604.000 . volume 18729 5 56 1187209.000 . height 18729 5 56 25482389.375 . volume 18729 5 57 4550772.500 . height 18729 5 57 97503794.750 . volume 18729 5 58 3726679.250 . height 18729 5 58 79620073.250 . volume 18729 5 59 3184027.500 . height 18729 5 59 69139865.750 . volume 18729 5 60 3208301.500 . height 18729 5 60 68496180.500 . volume 18729 5 61 2562480.500 . height 18729 5 61 55413006.125 . volume 18729 5 62 1569111.750 . height 18729 5 62 35128515.250 . volume 18729 5 63 1471154.875 . height 18729 5 63 32769523.875 . volume 18729 5 64 4444697.000 . height 18729 5 64 93689436.500 . volume 18729 5 65 1438549.875 . height 18729 5 65 31860532.875 . volume 18729 5 66 1452498.750 . height 18729 5 66 32560531.875 . volume 18729 5 67 2900321.000 . height 18729 5 67 62487054.000 . volume 18729 5 68 1276808.750 . height 18729 5 68 27307343.125 . volume 18729 5 69 1459991.125 . height 18729 5 69 32883367.750 . volume 18729 5 70 3142769.500 . height 18729 5 70 66908088.375 . volume 18729 5 71 1532523.250 . height 18729 5 71 35661054.500 . volume 18729 5 72 5301723.500 . height 18729 5 72 112685637.500 . volume 18729 5 73 1917817.000 . height 18729 5 73 42114453.500 . volume 18729 5 74 1977552.000 . height 18729 5 74 42963081.750 . volume 18729 5 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.611 . 26.3494253159 . . . . . . . . . . 1 18729 5 1 2 4.420 . 38.3489131927 . . . . . . . . . . 1 18729 5 1 3 119.853 . 38.5150835307 . . . . . . . . . . 1 18729 5 2 1 8.611 . 26.7453491688 . . . . . . . . . . 1 18729 5 2 2 3.833 . 36.6449356079 . . . . . . . . . . 1 18729 5 2 3 119.854 . 36.4343464901 . . . . . . . . . . 1 18729 5 3 1 8.422 . 27.3582339287 . . . . . . . . . . 1 18729 5 3 2 4.571 . 35.6231927872 . . . . . . . . . . 1 18729 5 3 3 114.571 . 37.3003366820 . . . . . . . . . . 1 18729 5 4 1 8.423 . 28.6042690277 . . . . . . . . . . 1 18729 5 4 2 2.961 . 39.7541522980 . . . . . . . . . . 1 18729 5 4 3 114.560 . 38.2677937397 . . . . . . . . . . 1 18729 5 5 1 8.423 . 28.9383530617 . . . . . . . . . . 1 18729 5 5 2 2.853 . 43.5912609100 . . . . . . . . . . 1 18729 5 5 3 114.550 . 38.2504066720 . . . . . . . . . . 1 18729 5 6 1 8.697 . 25.6493687630 . . . . . . . . . . 1 18729 5 6 2 4.770 . 33.6863994598 . . . . . . . . . . 1 18729 5 6 3 115.751 . 35.6776283075 . . . . . . . . . . 1 18729 5 7 1 8.696 . 25.7234275341 . . . . . . . . . . 1 18729 5 7 2 2.091 . 45.8056926727 . . . . . . . . . . 1 18729 5 7 3 115.743 . 35.7414654976 . . . . . . . . . . 1 18729 5 8 1 8.699 . 24.4928896427 . . . . . . . . . . 1 18729 5 8 2 1.791 . 45.6490516663 . . . . . . . . . . 1 18729 5 8 3 115.755 . 36.6318864233 . . . . . . . . . . 1 18729 5 9 1 9.620 . 26.5740603209 . . . . . . . . . . 1 18729 5 9 2 5.272 . 35.2216362953 . . . . . . . . . . 1 18729 5 9 3 125.143 . 35.8768181084 . . . . . . . . . . 1 18729 5 10 1 9.621 . 25.7997959852 . . . . . . . . . . 1 18729 5 10 2 3.687 . 42.4388647079 . . . . . . . . . . 1 18729 5 10 3 125.144 . 34.0116426331 . . . . . . . . . . 1 18729 5 11 1 9.620 . 26.6549736261 . . . . . . . . . . 1 18729 5 11 2 2.768 . 35.2272987366 . . . . . . . . . . 1 18729 5 11 3 125.125 . 35.5466541919 . . . . . . . . . . 1 18729 5 12 1 8.995 . 25.3269821405 . . . . . . . . . . 1 18729 5 12 2 5.053 . 34.8800420761 . . . . . . . . . . 1 18729 5 12 3 125.086 . 36.1709387605 . . . . . . . . . . 1 18729 5 13 1 8.995 . 26.6529619694 . . . . . . . . . . 1 18729 5 13 2 1.919 . 36.4911556244 . . . . . . . . . . 1 18729 5 13 3 125.103 . 37.0234761847 . . . . . . . . . . 1 18729 5 14 1 7.875 . 27.3492932320 . . . . . . . . . . 1 18729 5 14 2 4.342 . 33.2914590836 . . . . . . . . . . 1 18729 5 14 3 121.227 . 37.2785076627 . . . . . . . . . . 1 18729 5 15 1 7.876 . 26.4136493206 . . . . . . . . . . 1 18729 5 15 2 3.295 . 38.5798215866 . . . . . . . . . . 1 18729 5 15 3 121.215 . 36.8775898030 . . . . . . . . . . 1 18729 5 16 1 7.875 . 27.8042256832 . . . . . . . . . . 1 18729 5 16 2 2.916 . 40.1315689087 . . . . . . . . . . 1 18729 5 16 3 121.203 . 36.9833717074 . . . . . . . . . . 1 18729 5 17 1 8.372 . 25.5775451660 . . . . . . . . . . 1 18729 5 17 2 3.792 . 35.5051755905 . . . . . . . . . . 1 18729 5 17 3 106.045 . 35.7988301296 . . . . . . . . . . 1 18729 5 18 1 8.379 . 26.4632701874 . . . . . . . . . . 1 18729 5 18 2 2.011 . 49.8235225677 . . . . . . . . . . 1 18729 5 18 3 106.107 . 36.5287062333 . . . . . . . . . . 1 18729 5 19 1 8.376 . 24.6825814247 . . . . . . . . . . 1 18729 5 19 2 1.840 . 51.8498420715 . . . . . . . . . . 1 18729 5 19 3 106.097 . 40.4899117539 . . . . . . . . . . 1 18729 5 20 1 9.278 . 27.9533118010 . . . . . . . . . . 1 18729 5 20 2 4.304 . 32.9761505127 . . . . . . . . . . 1 18729 5 20 3 128.830 . 36.7547381131 . . . . . . . . . . 1 18729 5 21 1 9.278 . 26.3590365648 . . . . . . . . . . 1 18729 5 21 2 1.791 . 36.2377166748 . . . . . . . . . . 1 18729 5 21 3 128.852 . 34.1048284320 . . . . . . . . . . 1 18729 5 22 1 8.769 . 27.4865329266 . . . . . . . . . . 1 18729 5 22 2 3.459 . 32.7504873276 . . . . . . . . . . 1 18729 5 22 3 132.489 . 34.6773484004 . . . . . . . . . . 1 18729 5 23 1 8.769 . 25.4553556442 . . . . . . . . . . 1 18729 5 23 2 2.707 . 39.2065048218 . . . . . . . . . . 1 18729 5 23 3 132.481 . 33.4165163039 . . . . . . . . . . 1 18729 5 24 1 8.768 . 28.7687778473 . . . . . . . . . . 1 18729 5 24 2 4.710 . 34.6342325211 . . . . . . . . . . 1 18729 5 24 3 132.494 . 33.7056873528 . . . . . . . . . . 1 18729 5 25 1 10.617 . 29.6500138938 . . . . . . . . . . 1 18729 5 25 2 1.664 . 35.8955860138 . . . . . . . . . . 1 18729 5 25 3 127.186 . 35.6628429543 . . . . . . . . . . 1 18729 5 26 1 10.618 . 28.2664597034 . . . . . . . . . . 1 18729 5 26 2 4.869 . 35.2530479431 . . . . . . . . . . 1 18729 5 26 3 127.187 . 34.3039230482 . . . . . . . . . . 1 18729 5 27 1 9.155 . 25.6382673979 . . . . . . . . . . 1 18729 5 27 2 3.826 . 38.4627580643 . . . . . . . . . . 1 18729 5 27 3 125.362 . 34.8379725429 . . . . . . . . . . 1 18729 5 28 1 9.152 . 25.4061818123 . . . . . . . . . . 1 18729 5 28 2 4.271 . 35.0811481476 . . . . . . . . . . 1 18729 5 28 3 125.343 . 35.0735863469 . . . . . . . . . . 1 18729 5 29 1 8.882 . 27.3314118385 . . . . . . . . . . 1 18729 5 29 2 4.564 . 36.9024276733 . . . . . . . . . . 1 18729 5 29 3 109.368 . 35.3729104280 . . . . . . . . . . 1 18729 5 30 1 8.885 . 28.7316739559 . . . . . . . . . . 1 18729 5 30 2 2.744 . 46.8168258667 . . . . . . . . . . 1 18729 5 30 3 109.387 . 35.7102449235 . . . . . . . . . . 1 18729 5 31 1 8.883 . 25.9201228619 . . . . . . . . . . 1 18729 5 31 2 3.278 . 36.8279218674 . . . . . . . . . . 1 18729 5 31 3 109.348 . 35.7178596977 . . . . . . . . . . 1 18729 5 32 1 9.264 . 23.9224731922 . . . . . . . . . . 1 18729 5 32 2 3.050 . 39.9274826050 . . . . . . . . . . 1 18729 5 32 3 122.651 . 35.3889649102 . . . . . . . . . . 1 18729 5 33 1 9.264 . 23.8301604986 . . . . . . . . . . 1 18729 5 33 2 2.705 . 41.4891242981 . . . . . . . . . . 1 18729 5 33 3 122.622 . 37.3385374657 . . . . . . . . . . 1 18729 5 34 1 9.263 . 25.4841893911 . . . . . . . . . . 1 18729 5 34 2 4.866 . 37.0792150497 . . . . . . . . . . 1 18729 5 34 3 122.632 . 36.1713194992 . . . . . . . . . . 1 18729 5 35 1 9.452 . 24.3423879147 . . . . . . . . . . 1 18729 5 35 2 3.635 . 34.9136590958 . . . . . . . . . . 1 18729 5 35 3 120.723 . 35.3470836523 . . . . . . . . . . 1 18729 5 36 1 9.451 . 24.3077427149 . . . . . . . . . . 1 18729 5 36 2 3.043 . 37.2526645660 . . . . . . . . . . 1 18729 5 36 3 120.736 . 33.5868651476 . . . . . . . . . . 1 18729 5 37 1 9.451 . 24.4720280170 . . . . . . . . . . 1 18729 5 37 2 4.894 . 33.6573719978 . . . . . . . . . . 1 18729 5 37 3 120.746 . 36.3384003356 . . . . . . . . . . 1 18729 5 38 1 8.225 . 25.7205963135 . . . . . . . . . . 1 18729 5 38 2 4.897 . 35.2290272713 . . . . . . . . . . 1 18729 5 38 3 126.902 . 35.2091293270 . . . . . . . . . . 1 18729 5 39 1 8.224 . 24.7310101986 . . . . . . . . . . 1 18729 5 39 2 3.161 . 37.8408432007 . . . . . . . . . . 1 18729 5 39 3 126.882 . 33.1803631201 . . . . . . . . . . 1 18729 5 40 1 8.226 . 25.3775715828 . . . . . . . . . . 1 18729 5 40 2 2.363 . 38.1476879120 . . . . . . . . . . 1 18729 5 40 3 126.878 . 32.3268103927 . . . . . . . . . . 1 18729 5 41 1 7.663 . 27.3270905018 . . . . . . . . . . 1 18729 5 41 2 4.815 . 35.6427431107 . . . . . . . . . . 1 18729 5 41 3 109.233 . 36.5235028043 . . . . . . . . . . 1 18729 5 42 1 7.665 . 24.3277847767 . . . . . . . . . . 1 18729 5 42 2 2.299 . 42.6871776581 . . . . . . . . . . 1 18729 5 42 3 109.283 . 33.9767415849 . . . . . . . . . . 1 18729 5 43 1 7.664 . 27.2493064404 . . . . . . . . . . 1 18729 5 43 2 1.740 . 39.2467975616 . . . . . . . . . . 1 18729 5 43 3 109.253 . 34.4689098217 . . . . . . . . . . 1 18729 5 44 1 7.931 . 26.8426537514 . . . . . . . . . . 1 18729 5 44 2 4.428 . 34.5753431320 . . . . . . . . . . 1 18729 5 44 3 114.888 . 37.9798283633 . . . . . . . . . . 1 18729 5 45 1 7.932 . 27.3002684116 . . . . . . . . . . 1 18729 5 45 2 1.917 . 104.5958995820 . . . . . . . . . . 1 18729 5 45 3 114.856 . 37.0108483509 . . . . . . . . . . 1 18729 5 46 1 7.931 . 25.1023471355 . . . . . . . . . . 1 18729 5 46 2 1.826 . 108.6900234220 . . . . . . . . . . 1 18729 5 46 3 114.877 . 36.8714979836 . . . . . . . . . . 1 18729 5 47 1 7.457 . 27.9535353184 . . . . . . . . . . 1 18729 5 47 2 4.109 . 34.3027114868 . . . . . . . . . . 1 18729 5 47 3 116.315 . 37.4234421977 . . . . . . . . . . 1 18729 5 48 1 7.456 . 27.9702246189 . . . . . . . . . . 1 18729 5 48 2 2.094 . 33.5893630981 . . . . . . . . . . 1 18729 5 48 3 116.310 . 34.4010114188 . . . . . . . . . . 1 18729 5 49 1 8.741 . 25.3321230412 . . . . . . . . . . 1 18729 5 49 2 4.202 . 33.9336395264 . . . . . . . . . . 1 18729 5 49 3 119.876 . 36.3706996694 . . . . . . . . . . 1 18729 5 50 1 8.742 . 24.7028470039 . . . . . . . . . . 1 18729 5 50 2 2.028 . 38.7575626373 . . . . . . . . . . 1 18729 5 50 3 119.854 . 39.0308575674 . . . . . . . . . . 1 18729 5 51 1 8.122 . 25.9251892567 . . . . . . . . . . 1 18729 5 51 2 4.093 . 32.6551198959 . . . . . . . . . . 1 18729 5 51 3 117.079 . 36.1398450993 . . . . . . . . . . 1 18729 5 52 1 8.122 . 25.2856314182 . . . . . . . . . . 1 18729 5 52 2 1.958 . 54.8491477966 . . . . . . . . . . 1 18729 5 52 3 117.091 . 35.5136568371 . . . . . . . . . . 1 18729 5 53 1 8.122 . 24.9344110489 . . . . . . . . . . 1 18729 5 53 2 1.688 . 42.0322418213 . . . . . . . . . . 1 18729 5 53 3 117.088 . 34.1169803424 . . . . . . . . . . 1 18729 5 54 1 6.940 . 27.7920067310 . . . . . . . . . . 1 18729 5 54 2 4.726 . 34.9210500717 . . . . . . . . . . 1 18729 5 54 3 122.544 . 36.2681540440 . . . . . . . . . . 1 18729 5 55 1 6.939 . 25.8059799671 . . . . . . . . . . 1 18729 5 55 2 3.402 . 38.5456085205 . . . . . . . . . . 1 18729 5 55 3 122.522 . 33.7693659018 . . . . . . . . . . 1 18729 5 56 1 6.939 . 24.5541334152 . . . . . . . . . . 1 18729 5 56 2 2.855 . 38.6679172516 . . . . . . . . . . 1 18729 5 56 3 122.547 . 34.6547103113 . . . . . . . . . . 1 18729 5 57 1 8.435 . 25.6821513176 . . . . . . . . . . 1 18729 5 57 2 4.306 . 35.7806682587 . . . . . . . . . . 1 18729 5 57 3 120.607 . 37.0998777521 . . . . . . . . . . 1 18729 5 58 1 8.435 . 24.7727334499 . . . . . . . . . . 1 18729 5 58 2 3.584 . 35.5743169785 . . . . . . . . . . 1 18729 5 58 3 120.596 . 37.7526542674 . . . . . . . . . . 1 18729 5 59 1 8.328 . 27.5294482708 . . . . . . . . . . 1 18729 5 59 2 4.528 . 36.5210771561 . . . . . . . . . . 1 18729 5 59 3 108.212 . 36.6851898424 . . . . . . . . . . 1 18729 5 60 1 8.327 . 27.6567041874 . . . . . . . . . . 1 18729 5 60 2 3.862 . 34.2661142349 . . . . . . . . . . 1 18729 5 60 3 108.207 . 35.9815847096 . . . . . . . . . . 1 18729 5 61 1 9.569 . 25.2923369408 . . . . . . . . . . 1 18729 5 61 2 4.112 . 38.3929014206 . . . . . . . . . . 1 18729 5 61 3 113.143 . 36.3224727664 . . . . . . . . . . 1 18729 5 62 1 9.567 . 26.7540663481 . . . . . . . . . . 1 18729 5 62 2 2.877 . 103.9988994600 . . . . . . . . . . 1 18729 5 62 3 113.157 . 38.9941162821 . . . . . . . . . . 1 18729 5 63 1 9.568 . 25.9136408567 . . . . . . . . . . 1 18729 5 63 2 2.783 . 106.4131259920 . . . . . . . . . . 1 18729 5 63 3 113.150 . 36.2486094570 . . . . . . . . . . 1 18729 5 64 1 8.709 . 25.1370668411 . . . . . . . . . . 1 18729 5 64 2 4.111 . 34.3695878983 . . . . . . . . . . 1 18729 5 64 3 119.238 . 35.0942096936 . . . . . . . . . . 1 18729 5 65 1 8.711 . 26.2154638767 . . . . . . . . . . 1 18729 5 65 2 2.219 . 51.5539646149 . . . . . . . . . . 1 18729 5 65 3 119.245 . 36.0757540834 . . . . . . . . . . 1 18729 5 66 1 8.709 . 24.8588621616 . . . . . . . . . . 1 18729 5 66 2 2.047 . 54.5685291290 . . . . . . . . . . 1 18729 5 66 3 119.247 . 38.7710668555 . . . . . . . . . . 1 18729 5 67 1 8.998 . 25.6557762623 . . . . . . . . . . 1 18729 5 67 2 3.986 . 34.8159074783 . . . . . . . . . . 1 18729 5 67 3 129.803 . 37.7416763013 . . . . . . . . . . 1 18729 5 68 1 8.997 . 24.0910053253 . . . . . . . . . . 1 18729 5 68 2 2.149 . 40.2588844299 . . . . . . . . . . 1 18729 5 68 3 129.834 . 34.8924816346 . . . . . . . . . . 1 18729 5 69 1 8.813 . 26.2962281704 . . . . . . . . . . 1 18729 5 69 2 3.058 . 101.9241809840 . . . . . . . . . . 1 18729 5 69 3 121.943 . 36.2748169714 . . . . . . . . . . 1 18729 5 70 1 8.811 . 26.3962149620 . . . . . . . . . . 1 18729 5 70 2 4.836 . 34.3192219734 . . . . . . . . . . 1 18729 5 70 3 121.903 . 36.2055859829 . . . . . . . . . . 1 18729 5 71 1 8.809 . 28.1107425690 . . . . . . . . . . 1 18729 5 71 2 3.122 . 99.4441509247 . . . . . . . . . . 1 18729 5 71 3 121.881 . 37.8776634766 . . . . . . . . . . 1 18729 5 72 1 8.263 . 26.1652469635 . . . . . . . . . . 1 18729 5 72 2 4.481 . 34.6794128418 . . . . . . . . . . 1 18729 5 72 3 118.075 . 35.7210325202 . . . . . . . . . . 1 18729 5 73 1 8.263 . 25.5721807480 . . . . . . . . . . 1 18729 5 73 2 2.153 . 48.8131046295 . . . . . . . . . . 1 18729 5 73 3 118.082 . 34.6701936855 . . . . . . . . . . 1 18729 5 74 1 8.262 . 25.4407525063 . . . . . . . . . . 1 18729 5 74 2 1.938 . 48.4960079193 . . . . . . . . . . 1 18729 5 74 3 118.077 . 33.3812662452 . . . . . . . . . . 1 18729 5 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.611 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 5 1 2 1 . . 4.420 . . 1 . 1 1 17 GLY HA3 . . . . . . . . . . 157 . 18729 5 1 3 1 . . 119.853 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 5 2 1 1 . . 8.611 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 5 2 2 3 . . 3.833 . . 1 . 1 1 17 GLY HA2 . . . . . . . . . . 156 . 18729 5 2 3 1 . . 119.854 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 5 3 1 1 . . 8.422 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 5 3 2 1 . . 4.571 . . 1 . 1 1 31 ASN HA . . . . . . . . . . 158 . 18729 5 3 3 1 . . 114.571 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 5 4 1 1 . . 8.423 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 5 4 2 1 . . 2.961 . . 1 . 1 1 31 ASN HB3 . . . . . . . . . . 160 . 18729 5 4 3 1 . . 114.560 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 5 5 1 1 . . 8.423 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 5 5 2 1 . . 2.853 . . 1 . 1 1 31 ASN HB2 . . . . . . . . . . 159 . 18729 5 5 3 1 . . 114.550 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 5 6 1 1 . . 8.697 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 5 6 2 1 . . 4.770 . . 1 . 1 1 30 ARG HA . . . . . . . . . . 161 . 18729 5 6 3 1 . . 115.751 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 5 7 1 1 . . 8.696 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 5 7 2 1 . . 2.091 . . 1 . 1 1 30 ARG HB3 . . . . . . . . . . 163 . 18729 5 7 3 1 . . 115.743 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 5 8 1 1 . . 8.699 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 5 8 2 1 . . 1.791 . . 1 . 1 1 30 ARG HB2 . . . . . . . . . . 162 . 18729 5 8 3 1 . . 115.755 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 5 9 1 1 . . 9.620 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 5 9 2 1 . . 5.272 . . 1 . 1 1 29 CYS HA . . . . . . . . . . 164 . 18729 5 9 3 1 . . 125.143 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 5 10 1 1 . . 9.621 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 5 10 2 1 . . 3.687 . . 1 . 1 1 29 CYS HB2 . . . . . . . . . . 165 . 18729 5 10 3 1 . . 125.144 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 5 11 1 1 . . 9.620 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 5 11 2 1 . . 2.768 . . 1 . 1 1 29 CYS HB3 . . . . . . . . . . 166 . 18729 5 11 3 1 . . 125.125 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 5 12 1 1 . . 8.995 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 5 12 2 1 . . 5.053 . . 1 . 1 1 28 GLU HA . . . . . . . . . . 167 . 18729 5 12 3 1 . . 125.086 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 5 13 1 1 . . 8.995 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 5 13 2 1 . . 1.919 . . 1 . 1 1 28 GLU HB3 . . . . . . . . . . 168 . 18729 5 13 2 2 . . 1.919 . . 1 . 1 1 28 GLU HB2 . . . . . . . . . . 169 . 18729 5 13 3 1 . . 125.103 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 5 14 1 1 . . 7.875 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 5 14 2 1 . . 4.342 . . 1 . 1 1 27 ASN HA . . . . . . . . . . 170 . 18729 5 14 3 1 . . 121.227 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 5 15 1 1 . . 7.876 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 5 15 2 1 . . 3.295 . . 1 . 1 1 27 ASN HB2 . . . . . . . . . . 171 . 18729 5 15 3 1 . . 121.215 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 5 16 1 1 . . 7.875 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 5 16 2 1 . . 2.916 . . 1 . 1 1 27 ASN HB3 . . . . . . . . . . 172 . 18729 5 16 3 1 . . 121.203 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 5 17 1 1 . . 8.372 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 5 17 2 1 . . 3.792 . . 1 . 1 1 26 ARG HA . . . . . . . . . . 173 . 18729 5 17 3 1 . . 106.045 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 5 18 1 1 . . 8.379 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 5 18 2 1 . . 2.011 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 5 18 3 1 . . 106.107 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 5 19 1 1 . . 8.376 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 5 19 2 1 . . 1.840 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 5 19 3 1 . . 106.097 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 5 20 1 1 . . 9.278 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 5 20 2 1 . . 4.304 . . 1 . 1 1 25 ILE HA . . . . . . . . . . 177 . 18729 5 20 3 1 . . 128.830 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 5 21 1 1 . . 9.278 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 5 21 2 1 . . 1.791 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 5 21 3 1 . . 128.852 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 5 22 1 1 . . 8.769 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 5 22 2 1 . . 3.459 . . 1 . 1 1 24 CYS HB2 . . . . . . . . . . 181 . 18729 5 22 3 1 . . 132.489 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 5 23 1 1 . . 8.769 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 5 23 2 1 . . 2.707 . . 1 . 1 1 24 CYS HB3 . . . . . . . . . . 180 . 18729 5 23 3 1 . . 132.481 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 5 24 1 1 . . 8.768 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 5 24 2 1 . . 4.710 . . 1 . 1 1 24 CYS HA . . . . . . . . . . 179 . 18729 5 24 3 1 . . 132.494 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 5 25 1 1 . . 10.617 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 5 25 2 1 . . 1.664 . . 1 . 1 1 23 ARG HB2 . . . . . . . . . . 183 . 18729 5 25 2 2 . . 1.664 . . 1 . 1 1 23 ARG HB3 . . . . . . . . . . 184 . 18729 5 25 3 1 . . 127.186 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 5 26 1 1 . . 10.618 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 5 26 2 1 . . 4.869 . . 1 . 1 1 23 ARG HA . . . . . . . . . . 182 . 18729 5 26 3 1 . . 127.187 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 5 27 1 1 . . 9.155 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 5 27 2 1 . . 3.826 . . 1 . 1 1 22 GLY HA2 . . . . . . . . . . 185 . 18729 5 27 3 1 . . 125.362 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 5 28 1 1 . . 9.152 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 5 28 2 1 . . 4.271 . . 1 . 1 1 22 GLY HA3 . . . . . . . . . . 186 . 18729 5 28 3 1 . . 125.343 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 5 29 1 1 . . 8.882 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 5 29 2 1 . . 4.564 . . 1 . 1 1 21 CYS HA . . . . . . . . . . 189 . 18729 5 29 3 1 . . 109.368 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 5 30 1 1 . . 8.885 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 5 30 2 1 . . 2.744 . . 1 . 1 1 21 CYS HB2 . . . . . . . . . . 187 . 18729 5 30 3 1 . . 109.387 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 5 31 1 1 . . 8.883 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 5 31 2 1 . . 3.278 . . 1 . 1 1 21 CYS HB3 . . . . . . . . . . 188 . 18729 5 31 3 1 . . 109.348 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 5 32 1 1 . . 9.264 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 5 32 2 1 . . 3.050 . . 1 . 1 1 20 CYS HB2 . . . . . . . . . . 191 . 18729 5 32 3 1 . . 122.651 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 5 33 1 1 . . 9.264 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 5 33 2 1 . . 2.705 . . 1 . 1 1 20 CYS HB3 . . . . . . . . . . 190 . 18729 5 33 3 1 . . 122.622 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 5 34 1 1 . . 9.263 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 5 34 2 1 . . 4.866 . . 1 . 1 1 20 CYS HA . . . . . . . . . . 192 . 18729 5 34 3 1 . . 122.632 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 5 35 1 1 . . 9.452 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 5 35 2 1 . . 3.635 . . 1 . 1 1 19 TRP HB3 . . . . . . . . . . 194 . 18729 5 35 3 1 . . 120.723 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 5 36 1 1 . . 9.451 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 5 36 2 2 . . 3.043 . . 1 . 1 1 19 TRP HB2 . . . . . . . . . . 193 . 18729 5 36 3 1 . . 120.736 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 5 37 1 1 . . 9.451 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 5 37 2 1 . . 4.894 . . 1 . 1 1 19 TRP HA . . . . . . . . . . 195 . 18729 5 37 3 1 . . 120.746 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 5 38 1 1 . . 8.225 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 5 38 2 1 . . 4.897 . . 1 . 1 1 18 ASP HA . . . . . . . . . . 198 . 18729 5 38 3 1 . . 126.902 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 5 39 1 1 . . 8.224 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 5 39 2 1 . . 3.161 . . 1 . 1 1 18 ASP HB3 . . . . . . . . . . 197 . 18729 5 39 3 1 . . 126.882 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 5 40 1 1 . . 8.226 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 5 40 2 1 . . 2.363 . . 1 . 1 1 18 ASP HB2 . . . . . . . . . . 196 . 18729 5 40 3 1 . . 126.878 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 5 41 1 1 . . 7.663 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 5 41 2 1 . . 4.815 . . 1 . 1 1 16 MET HA . . . . . . . . . . 201 . 18729 5 41 3 1 . . 109.233 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 5 42 1 1 . . 7.665 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 5 42 2 1 . . 2.299 . . 1 . 1 1 16 MET HB3 . . . . . . . . . . 200 . 18729 5 42 3 1 . . 109.283 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 5 43 1 1 . . 7.664 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 5 43 2 1 . . 1.740 . . 1 . 1 1 16 MET HB2 . . . . . . . . . . 199 . 18729 5 43 3 1 . . 109.253 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 5 44 1 1 . . 7.931 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 5 44 2 1 . . 4.428 . . 1 . 1 1 15 LYS HA . . . . . . . . . . 204 . 18729 5 44 3 1 . . 114.888 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 5 45 1 1 . . 7.932 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 5 45 2 1 . . 1.917 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 5 45 3 1 . . 114.856 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 5 46 1 1 . . 7.931 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 5 46 2 1 . . 1.826 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 5 46 3 1 . . 114.877 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 5 47 1 1 . . 7.457 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 5 47 2 1 . . 4.109 . . 1 . 1 1 14 GLU HA . . . . . . . . . . 205 . 18729 5 47 3 1 . . 116.315 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 5 48 1 1 . . 7.456 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 5 48 2 1 . . 2.094 . . 1 . 1 1 14 GLU HB3 . . . . . . . . . . 206 . 18729 5 48 2 2 . . 2.094 . . 1 . 1 1 14 GLU HB2 . . . . . . . . . . 207 . 18729 5 48 3 1 . . 116.310 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 5 49 1 1 . . 8.741 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 5 49 2 1 . . 4.202 . . 1 . 1 1 13 PRO HA . . . . . . . . . . 208 . 18729 5 49 3 1 . . 119.876 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 5 50 1 1 . . 8.742 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 5 50 2 1 . . 2.028 . . 1 . 1 1 13 PRO HB3 . . . . . . . . . . 209 . 18729 5 50 2 2 . . 2.028 . . 1 . 1 1 13 PRO HB2 . . . . . . . . . . 210 . 18729 5 50 3 1 . . 119.854 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 5 51 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 5 51 2 1 . . 4.093 . . 1 . 1 1 11 PRO HA . . . . . . . . . . 213 . 18729 5 51 3 1 . . 117.079 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 5 52 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 5 52 2 1 . . 1.958 . . 1 . 1 1 11 PRO HB3 . . . . . . . . . . 212 . 18729 5 52 3 1 . . 117.091 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 5 53 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 5 53 2 1 . . 1.688 . . 1 . 1 1 11 PRO HB2 . . . . . . . . . . 211 . 18729 5 53 3 1 . . 117.088 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 5 54 1 1 . . 6.940 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 5 54 2 1 . . 4.726 . . 1 . 1 1 9 PHE HA . . . . . . . . . . 216 . 18729 5 54 3 1 . . 122.544 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 5 55 1 1 . . 6.939 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 5 55 2 1 . . 3.402 . . 1 . 1 1 9 PHE HB2 . . . . . . . . . . 215 . 18729 5 55 3 1 . . 122.522 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 5 56 1 1 . . 6.939 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 5 56 2 1 . . 2.855 . . 1 . 1 1 9 PHE HB3 . . . . . . . . . . 214 . 18729 5 56 3 1 . . 122.547 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 5 57 1 1 . . 8.435 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 5 57 2 1 . . 4.306 . . 1 . 1 1 8 GLY HA2 . . . . . . . . . . 218 . 18729 5 57 3 1 . . 120.607 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 5 58 1 1 . . 8.435 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 5 58 2 1 . . 3.584 . . 1 . 1 1 8 GLY HA3 . . . . . . . . . . 217 . 18729 5 58 3 1 . . 120.596 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 5 59 1 1 . . 8.328 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 5 59 2 1 . . 4.528 . . 1 . 1 1 7 GLY HA2 . . . . . . . . . . 220 . 18729 5 59 3 1 . . 108.212 . . 1 . 1 1 8 GLY N . . . . . . . . . . 29 . 18729 5 60 1 1 . . 8.327 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 5 60 2 1 . . 3.862 . . 1 . 1 1 7 GLY HA3 . . . . . . . . . . 219 . 18729 5 60 3 1 . . 108.207 . . 1 . 1 1 8 GLY N . . . . . . . . . . 29 . 18729 5 61 1 1 . . 9.569 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 5 61 2 1 . . 4.112 . . 1 . 1 1 6 ASN HA . . . . . . . . . . 223 . 18729 5 61 3 1 . . 113.143 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 5 62 1 1 . . 9.567 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 5 62 2 1 . . 2.877 . . 1 . 1 1 6 ASN HB2 . . . . . . . . . . 222 . 18729 5 62 3 1 . . 113.157 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 5 63 1 1 . . 9.568 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 5 63 2 1 . . 2.783 . . 1 . 1 1 6 ASN HB3 . . . . . . . . . . 221 . 18729 5 63 3 1 . . 113.150 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 5 64 1 1 . . 8.709 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 5 64 2 1 . . 4.111 . . 1 . 1 1 5 GLU HA . . . . . . . . . . 226 . 18729 5 64 3 1 . . 119.238 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 5 65 1 1 . . 8.711 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 5 65 2 1 . . 2.219 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 5 65 3 1 . . 119.245 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 5 66 1 1 . . 8.709 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 5 66 2 1 . . 2.047 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 5 66 3 1 . . 119.247 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 5 67 1 1 . . 8.998 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 5 67 2 1 . . 3.986 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 5 67 3 1 . . 129.803 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 5 68 1 1 . . 8.997 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 5 68 2 1 . . 2.149 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 5 68 3 1 . . 129.834 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 5 69 1 1 . . 8.813 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 5 69 2 1 . . 3.058 . . 1 . 1 1 3 CYS HB3 . . . . . . . . . . 229 . 18729 5 69 3 1 . . 121.943 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 5 70 1 1 . . 8.811 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 5 70 2 1 . . 4.836 . . 1 . 1 1 3 CYS HA . . . . . . . . . . 231 . 18729 5 70 3 1 . . 121.903 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 5 71 1 1 . . 8.809 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 5 71 2 1 . . 3.122 . . 1 . 1 1 3 CYS HB2 . . . . . . . . . . 230 . 18729 5 71 3 1 . . 121.881 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 5 72 1 1 . . 8.263 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 5 72 2 1 . . 4.481 . . 1 . 1 1 2 GLU HA . . . . . . . . . . 234 . 18729 5 72 3 1 . . 118.075 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 5 73 1 1 . . 8.263 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 5 73 2 1 . . 2.153 . . 1 . 1 1 2 GLU HB3 . . . . . . . . . . 233 . 18729 5 73 3 1 . . 118.082 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 5 74 1 1 . . 8.262 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 5 74 2 1 . . 1.938 . . 1 . 1 1 2 GLU HB2 . . . . . . . . . . 232 . 18729 5 74 3 1 . . 118.077 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 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 18729 _Spectral_peak_list.ID 6 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name 'HNCACO (HNcaCO)' _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 . . H 1 1H . . 2968.75000000 . . . . . . . 18729 6 2 . . C 13 13C . . 2500.00000000 . . . . . . . 18729 6 3 . . N 15 15N . . 2129.24518258 . . . . . . . 18729 6 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 6 2 1.0 . . 18729 6 3 1.0 . . 18729 6 4 1.0 . . 18729 6 5 1.0 . . 18729 6 6 1.0 . . 18729 6 7 1.0 . . 18729 6 8 1.0 . . 18729 6 9 1.0 . . 18729 6 10 1.0 . . 18729 6 11 1.0 . . 18729 6 12 1.0 . . 18729 6 13 1.0 . . 18729 6 14 1.0 . . 18729 6 15 1.0 . . 18729 6 16 1.0 . . 18729 6 17 1.0 . . 18729 6 18 1.0 . . 18729 6 19 1.0 . . 18729 6 20 1.0 . . 18729 6 21 1.0 . . 18729 6 22 1.0 . . 18729 6 23 1.0 . . 18729 6 24 1.0 . . 18729 6 25 1.0 . . 18729 6 26 1.0 . . 18729 6 27 1.0 . . 18729 6 28 1.0 . . 18729 6 29 1.0 . . 18729 6 30 1.0 . . 18729 6 31 1.0 . . 18729 6 32 1.0 . . 18729 6 33 1.0 . . 18729 6 34 1.0 . . 18729 6 35 1.0 . . 18729 6 36 1.0 . . 18729 6 37 1.0 . . 18729 6 38 1.0 . . 18729 6 39 1.0 . . 18729 6 40 1.0 . . 18729 6 41 1.0 . . 18729 6 42 1.0 . . 18729 6 43 1.0 . . 18729 6 44 1.0 . . 18729 6 45 1.0 . . 18729 6 46 1.0 . . 18729 6 47 1.0 . . 18729 6 48 1.0 . . 18729 6 49 1.0 . . 18729 6 50 1.0 . . 18729 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 67750.50000 . height 18729 6 1 1481630.65625 . volume 18729 6 2 70195.37500 . height 18729 6 2 1557916.43750 . volume 18729 6 3 76512.78125 . height 18729 6 3 1678722.03125 . volume 18729 6 4 101743.68750 . height 18729 6 4 2351368.31250 . volume 18729 6 5 310886.90625 . height 18729 6 5 6794442.81250 . volume 18729 6 6 75726.50000 . height 18729 6 6 1630312.00000 . volume 18729 6 7 138462.15625 . height 18729 6 7 3114574.25000 . volume 18729 6 8 106777.09375 . height 18729 6 8 2370584.59375 . volume 18729 6 9 376418.18750 . height 18729 6 9 8084156.65625 . volume 18729 6 10 272921.09375 . height 18729 6 10 6223883.25000 . volume 18729 6 11 164150.21875 . height 18729 6 11 3568742.59375 . volume 18729 6 12 216119.65625 . height 18729 6 12 4698013.09375 . volume 18729 6 13 84426.46875 . height 18729 6 13 1871186.53125 . volume 18729 6 14 111308.18750 . height 18729 6 14 2445588.37500 . volume 18729 6 15 92745.56250 . height 18729 6 15 1969444.53125 . volume 18729 6 16 226463.31250 . height 18729 6 16 4859381.93750 . volume 18729 6 17 37767.03125 . height 18729 6 17 860378.62500 . volume 18729 6 18 103017.06250 . height 18729 6 18 2262484.12500 . volume 18729 6 19 152090.25000 . height 18729 6 19 3267304.90625 . volume 18729 6 20 35485.96875 . height 18729 6 20 856453.31250 . volume 18729 6 21 104474.06250 . height 18729 6 21 2159094.40625 . volume 18729 6 22 185113.06250 . height 18729 6 22 3941804.37500 . volume 18729 6 23 216656.28125 . height 18729 6 23 4713704.53125 . volume 18729 6 24 74288.15625 . height 18729 6 24 1643145.43750 . volume 18729 6 25 210051.31250 . height 18729 6 25 4514761.34375 . volume 18729 6 26 86182.12500 . height 18729 6 26 1915559.96875 . volume 18729 6 27 191585.40625 . height 18729 6 27 3924072.12500 . volume 18729 6 28 61612.09375 . height 18729 6 28 1344783.03125 . volume 18729 6 29 51406.46875 . height 18729 6 29 1146040.15625 . volume 18729 6 30 123732.75000 . height 18729 6 30 2691931.21875 . volume 18729 6 31 81116.87500 . height 18729 6 31 1828735.87500 . volume 18729 6 32 45593.75000 . height 18729 6 32 1044591.46875 . volume 18729 6 33 261606.06250 . height 18729 6 33 5618844.40625 . volume 18729 6 34 113846.75000 . height 18729 6 34 2393743.56250 . volume 18729 6 35 54916.28125 . height 18729 6 35 1189576.68750 . volume 18729 6 36 64029.25000 . height 18729 6 36 1448406.46875 . volume 18729 6 37 224133.21875 . height 18729 6 37 4846921.06250 . volume 18729 6 38 75247.31250 . height 18729 6 38 1699872.81250 . volume 18729 6 39 121230.87500 . height 18729 6 39 2662043.50000 . volume 18729 6 40 120270.03125 . height 18729 6 40 2693662.75000 . volume 18729 6 41 150508.25000 . height 18729 6 41 3196683.53125 . volume 18729 6 42 56742.81250 . height 18729 6 42 1280424.81250 . volume 18729 6 43 43949.96875 . height 18729 6 43 995807.18750 . volume 18729 6 44 285183.90625 . height 18729 6 44 6185787.68750 . volume 18729 6 45 206987.96875 . height 18729 6 45 4606549.50000 . volume 18729 6 46 224105.87500 . height 18729 6 46 4852501.68750 . volume 18729 6 47 73247.09375 . height 18729 6 47 1637814.15625 . volume 18729 6 48 199996.18750 . height 18729 6 48 4396569.84375 . volume 18729 6 49 163364.90625 . height 18729 6 49 3455492.06250 . volume 18729 6 50 49473.50000 . height 18729 6 50 1030133.71875 . volume 18729 6 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 10.610 . 32.3849357665 . . . . . . . . . . 1 18729 6 1 2 174.719 . 43.5094535351 . . . . . . . . . . 1 18729 6 1 3 127.330 . 36.1503154138 . . . . . . . . . . 1 18729 6 2 1 10.609 . 29.9357809126 . . . . . . . . . . 1 18729 6 2 2 174.019 . 44.6186959743 . . . . . . . . . . 1 18729 6 2 3 127.172 . 43.0230298363 . . . . . . . . . . 1 18729 6 3 1 8.222 . 24.2310762405 . . . . . . . . . . 1 18729 6 3 2 177.653 . 115.5661046500 . . . . . . . . . . 1 18729 6 3 3 126.961 . 36.0317787626 . . . . . . . . . . 1 18729 6 4 1 8.226 . 26.3595581055 . . . . . . . . . . 1 18729 6 4 2 177.210 . 106.5191626550 . . . . . . . . . . 1 18729 6 4 3 126.945 . 37.9546361521 . . . . . . . . . . 1 18729 6 5 1 8.262 . 25.5967676640 . . . . . . . . . . 1 18729 6 5 2 173.342 . 44.3263351917 . . . . . . . . . . 1 18729 6 5 3 118.134 . 40.1065078747 . . . . . . . . . . 1 18729 6 6 1 8.262 . 24.1123139858 . . . . . . . . . . 1 18729 6 6 2 175.743 . 50.1920282841 . . . . . . . . . . 1 18729 6 6 3 118.098 . 36.4873326270 . . . . . . . . . . 1 18729 6 7 1 8.807 . 27.5477766991 . . . . . . . . . . 1 18729 6 7 2 175.177 . 56.6387176514 . . . . . . . . . . 1 18729 6 7 3 121.932 . 38.6290513173 . . . . . . . . . . 1 18729 6 8 1 8.808 . 30.5736064911 . . . . . . . . . . 1 18729 6 8 2 173.341 . 50.3349304199 . . . . . . . . . . 1 18729 6 8 3 121.937 . 35.7871541426 . . . . . . . . . . 1 18729 6 9 1 8.994 . 25.5026668310 . . . . . . . . . . 1 18729 6 9 2 175.223 . 45.3682243824 . . . . . . . . . . 1 18729 6 9 3 129.857 . 37.1384592746 . . . . . . . . . . 1 18729 6 10 1 8.998 . 27.4897366762 . . . . . . . . . . 1 18729 6 10 2 175.149 . 54.1967153549 . . . . . . . . . . 1 18729 6 10 3 129.834 . 39.2955978826 . . . . . . . . . . 1 18729 6 11 1 8.706 . 27.4737179279 . . . . . . . . . . 1 18729 6 11 2 175.249 . 44.7067618370 . . . . . . . . . . 1 18729 6 11 3 119.352 . 38.8897304196 . . . . . . . . . . 1 18729 6 12 1 8.706 . 26.4917314053 . . . . . . . . . . 1 18729 6 12 2 176.273 . 44.6489453316 . . . . . . . . . . 1 18729 6 12 3 119.315 . 38.7322949637 . . . . . . . . . . 1 18729 6 13 1 9.562 . 28.6607444286 . . . . . . . . . . 1 18729 6 13 2 174.881 . 52.3862987757 . . . . . . . . . . 1 18729 6 13 3 113.201 . 37.7591268255 . . . . . . . . . . 1 18729 6 14 1 9.562 . 24.9622017145 . . . . . . . . . . 1 18729 6 14 2 176.292 . 54.4124841690 . . . . . . . . . . 1 18729 6 14 3 113.152 . 37.2216506823 . . . . . . . . . . 1 18729 6 15 1 8.329 . 26.2017548084 . . . . . . . . . . 1 18729 6 15 2 171.661 . 38.7242436409 . . . . . . . . . . 1 18729 6 15 3 108.240 . 35.3938510569 . . . . . . . . . . 1 18729 6 16 1 8.434 . 26.7729163170 . . . . . . . . . . 1 18729 6 16 2 174.161 . 41.7062640190 . . . . . . . . . . 1 18729 6 16 3 120.661 . 38.1623291175 . . . . . . . . . . 1 18729 6 17 1 8.437 . 25.7535278797 . . . . . . . . . . 1 18729 6 17 2 171.709 . 52.0801544189 . . . . . . . . . . 1 18729 6 17 3 120.551 . 45.9964722347 . . . . . . . . . . 1 18729 6 18 1 9.260 . 28.3045321703 . . . . . . . . . . 1 18729 6 18 2 175.415 . 61.0291212797 . . . . . . . . . . 1 18729 6 18 3 122.635 . 33.5433974784 . . . . . . . . . . 1 18729 6 19 1 9.260 . 28.1447917223 . . . . . . . . . . 1 18729 6 19 2 176.831 . 49.5075434446 . . . . . . . . . . 1 18729 6 19 3 122.723 . 34.3011309643 . . . . . . . . . . 1 18729 6 20 1 6.937 . 71.5106725693 . . . . . . . . . . 1 18729 6 20 2 174.230 . 51.0473549366 . . . . . . . . . . 1 18729 6 20 3 122.624 . 55.9201728393 . . . . . . . . . . 1 18729 6 21 1 8.122 . 21.3949382305 . . . . . . . . . . 1 18729 6 21 2 173.948 . 43.6687469482 . . . . . . . . . . 1 18729 6 21 3 117.171 . 36.6846821908 . . . . . . . . . . 1 18729 6 22 1 8.122 . 24.5586037636 . . . . . . . . . . 1 18729 6 22 2 176.518 . 43.1031733751 . . . . . . . . . . 1 18729 6 22 3 117.123 . 37.3970443139 . . . . . . . . . . 1 18729 6 23 1 8.740 . 25.0823795795 . . . . . . . . . . 1 18729 6 23 2 177.375 . 43.7810271978 . . . . . . . . . . 1 18729 6 23 3 119.959 . 40.7792097157 . . . . . . . . . . 1 18729 6 24 1 8.739 . 32.8359007835 . . . . . . . . . . 1 18729 6 24 2 179.133 . 45.8967685699 . . . . . . . . . . 1 18729 6 24 3 119.858 . 39.9107447222 . . . . . . . . . . 1 18729 6 25 1 7.458 . 26.3184309006 . . . . . . . . . . 1 18729 6 25 2 177.888 . 41.4735823870 . . . . . . . . . . 1 18729 6 25 3 116.349 . 37.9765286279 . . . . . . . . . . 1 18729 6 26 1 7.933 . 26.2662768364 . . . . . . . . . . 1 18729 6 26 2 177.862 . 59.2121481895 . . . . . . . . . . 1 18729 6 26 3 114.937 . 37.8691603121 . . . . . . . . . . 1 18729 6 27 1 7.932 . 24.9627232552 . . . . . . . . . . 1 18729 6 27 2 177.346 . 38.3961200714 . . . . . . . . . . 1 18729 6 27 3 114.935 . 33.4043643935 . . . . . . . . . . 1 18729 6 28 1 7.665 . 33.5021317005 . . . . . . . . . . 1 18729 6 28 2 177.341 . 44.2497432232 . . . . . . . . . . 1 18729 6 28 3 109.122 . 38.9524888500 . . . . . . . . . . 1 18729 6 29 1 7.667 . 28.0658900738 . . . . . . . . . . 1 18729 6 29 2 171.676 . 51.8365204334 . . . . . . . . . . 1 18729 6 29 3 109.288 . 42.5173453753 . . . . . . . . . . 1 18729 6 30 1 8.609 . 26.3895094395 . . . . . . . . . . 1 18729 6 30 2 177.640 . 46.7312335968 . . . . . . . . . . 1 18729 6 30 3 119.881 . 37.8586265412 . . . . . . . . . . 1 18729 6 31 1 8.607 . 30.4217636585 . . . . . . . . . . 1 18729 6 31 2 171.901 . 54.4932484627 . . . . . . . . . . 1 18729 6 31 3 119.955 . 39.3416672663 . . . . . . . . . . 1 18729 6 32 1 9.446 . 31.0949236155 . . . . . . . . . . 1 18729 6 32 2 177.325 . 59.8315149546 . . . . . . . . . . 1 18729 6 32 3 120.859 . 43.8980308443 . . . . . . . . . . 1 18729 6 33 1 9.444 . 26.4494121075 . . . . . . . . . . 1 18729 6 33 2 175.462 . 42.4499809742 . . . . . . . . . . 1 18729 6 33 3 120.829 . 38.7364830895 . . . . . . . . . . 1 18729 6 34 1 8.879 . 26.0058045387 . . . . . . . . . . 1 18729 6 34 2 172.036 . 36.8425250053 . . . . . . . . . . 1 18729 6 34 3 109.428 . 37.5903326648 . . . . . . . . . . 1 18729 6 35 1 8.879 . 27.0825624466 . . . . . . . . . . 1 18729 6 35 2 176.870 . 47.1893697977 . . . . . . . . . . 1 18729 6 35 3 109.433 . 36.3912595596 . . . . . . . . . . 1 18729 6 36 1 9.153 . 29.8333168030 . . . . . . . . . . 1 18729 6 36 2 171.990 . 60.5334341526 . . . . . . . . . . 1 18729 6 36 3 125.384 . 39.4093118434 . . . . . . . . . . 1 18729 6 37 1 9.151 . 26.0784476995 . . . . . . . . . . 1 18729 6 37 2 174.046 . 41.6938960552 . . . . . . . . . . 1 18729 6 37 3 125.386 . 38.3162110121 . . . . . . . . . . 1 18729 6 38 1 8.765 . 27.4111330509 . . . . . . . . . . 1 18729 6 38 2 174.781 . 116.6721433400 . . . . . . . . . . 1 18729 6 38 3 132.553 . 38.5566633704 . . . . . . . . . . 1 18729 6 39 1 8.765 . 27.4625420570 . . . . . . . . . . 1 18729 6 39 2 175.176 . 57.2482496500 . . . . . . . . . . 1 18729 6 39 3 132.490 . 36.9172024927 . . . . . . . . . . 1 18729 6 40 1 9.275 . 29.8179686069 . . . . . . . . . . 1 18729 6 40 2 175.527 . 59.2433661222 . . . . . . . . . . 1 18729 6 40 3 128.876 . 37.6221878034 . . . . . . . . . . 1 18729 6 41 1 8.375 . 26.5294313431 . . . . . . . . . . 1 18729 6 41 2 174.052 . 43.7830388546 . . . . . . . . . . 1 18729 6 41 3 106.132 . 34.8273118591 . . . . . . . . . . 1 18729 6 42 1 8.369 . 29.0609896183 . . . . . . . . . . 1 18729 6 42 2 175.564 . 51.7231225967 . . . . . . . . . . 1 18729 6 42 3 106.085 . 42.4390401143 . . . . . . . . . . 1 18729 6 43 1 7.878 . 38.6719405651 . . . . . . . . . . 1 18729 6 43 2 174.035 . 48.0413436890 . . . . . . . . . . 1 18729 6 43 3 121.252 . 37.0440995314 . . . . . . . . . . 1 18729 6 44 1 7.877 . 27.6014208794 . . . . . . . . . . 1 18729 6 44 2 175.918 . 43.2409346104 . . . . . . . . . . 1 18729 6 44 3 121.325 . 39.3857060435 . . . . . . . . . . 1 18729 6 45 1 8.991 . 26.5357643366 . . . . . . . . . . 1 18729 6 45 2 176.294 . 52.5644421577 . . . . . . . . . . 1 18729 6 45 3 125.134 . 40.9912177197 . . . . . . . . . . 1 18729 6 46 1 9.615 . 29.8274308443 . . . . . . . . . . 1 18729 6 46 2 175.253 . 41.2914901972 . . . . . . . . . . 1 18729 6 46 3 125.165 . 38.7562815023 . . . . . . . . . . 1 18729 6 47 1 9.613 . 25.4782289267 . . . . . . . . . . 1 18729 6 47 2 176.276 . 49.2985546589 . . . . . . . . . . 1 18729 6 47 3 125.221 . 43.0076099186 . . . . . . . . . . 1 18729 6 48 1 8.695 . 26.0658562183 . . . . . . . . . . 1 18729 6 48 2 175.106 . 51.3150542974 . . . . . . . . . . 1 18729 6 48 3 115.780 . 39.3721898194 . . . . . . . . . . 1 18729 6 49 1 8.421 . 26.1914730072 . . . . . . . . . . 1 18729 6 49 2 178.493 . 38.1665676832 . . . . . . . . . . 1 18729 6 49 3 114.634 . 40.0641189652 . . . . . . . . . . 1 18729 6 50 1 8.421 . 20.8301842213 . . . . . . . . . . 1 18729 6 50 2 175.055 . 49.7651100159 . . . . . . . . . . 1 18729 6 50 3 114.608 . 32.8863059245 . . . . . . . . . . 1 18729 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 . . 10.610 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 6 1 2 1 . . 174.719 . . 1 . 1 1 24 CYS C . . . . . . . . . . 129 . 18729 6 1 3 1 . . 127.330 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 6 2 1 1 . . 10.609 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 6 2 2 1 . . 174.019 . . 1 . 1 1 23 ARG C . . . . . . . . . . 130 . 18729 6 2 3 1 . . 127.172 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 6 3 1 1 . . 8.222 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 6 3 2 1 . . 177.653 . . 1 . 1 1 18 ASP C . . . . . . . . . . 136 . 18729 6 3 3 1 . . 126.961 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 6 4 1 1 . . 8.226 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 6 4 2 1 . . 177.210 . . 1 . 1 1 19 TRP C . . . . . . . . . . 135 . 18729 6 4 3 1 . . 126.945 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 6 5 1 1 . . 8.262 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 6 5 2 1 . . 173.342 . . 1 . 1 1 3 CYS C . . . . . . . . . . 151 . 18729 6 5 3 1 . . 118.134 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 6 6 1 1 . . 8.262 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 6 6 2 1 . . 175.743 . . 1 . 1 1 2 GLU C . . . . . . . . . . 154 . 18729 6 6 3 1 . . 118.098 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 6 7 1 1 . . 8.807 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 6 7 2 1 . . 175.177 . . 1 . 1 1 4 VAL C . . . . . . . . . . 150 . 18729 6 7 3 1 . . 121.932 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 6 8 1 1 . . 8.808 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 6 8 2 1 . . 173.341 . . 1 . 1 1 3 CYS C . . . . . . . . . . 151 . 18729 6 8 3 1 . . 121.937 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 6 9 1 1 . . 8.994 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 6 9 2 1 . . 175.223 . . 1 . 1 1 5 GLU C . . . . . . . . . . 148 . 18729 6 9 3 1 . . 129.857 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 6 10 1 1 . . 8.998 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 6 10 2 1 . . 175.149 . . 1 . 1 1 4 VAL C . . . . . . . . . . 150 . 18729 6 10 3 1 . . 129.834 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 6 11 1 1 . . 8.706 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 6 11 2 1 . . 175.249 . . 1 . 1 1 5 GLU C . . . . . . . . . . 148 . 18729 6 11 3 1 . . 119.352 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 6 12 1 1 . . 8.706 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 6 12 2 1 . . 176.273 . . 1 . 1 1 6 ASN C . . . . . . . . . . 147 . 18729 6 12 3 1 . . 119.315 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 6 13 1 1 . . 9.562 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 6 13 2 1 . . 174.881 . . 1 . 1 1 7 GLY C . . . . . . . . . . 146 . 18729 6 13 3 1 . . 113.201 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 6 14 1 1 . . 9.562 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 6 14 2 1 . . 176.292 . . 1 . 1 1 6 ASN C . . . . . . . . . . 147 . 18729 6 14 3 1 . . 113.152 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 6 15 1 1 . . 8.329 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 6 15 2 1 . . 171.661 . . 1 . 1 1 8 GLY C . . . . . . . . . . 145 . 18729 6 15 3 1 . . 108.240 . . 1 . 1 1 8 GLY N . . . . . . . . . . 29 . 18729 6 16 1 1 . . 8.434 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 6 16 2 1 . . 174.161 . . 1 . 1 1 9 PHE C . . . . . . . . . . 144 . 18729 6 16 3 1 . . 120.661 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 6 17 1 1 . . 8.437 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 6 17 2 1 . . 171.709 . . 1 . 1 1 8 GLY C . . . . . . . . . . 145 . 18729 6 17 3 1 . . 120.551 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 6 18 1 1 . . 9.260 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 6 18 2 1 . . 175.415 . . 1 . 1 1 20 CYS C . . . . . . . . . . 134 . 18729 6 18 3 1 . . 122.635 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 6 19 1 1 . . 9.260 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 6 19 2 1 . . 176.831 . . 1 . 1 1 21 CYS C . . . . . . . . . . 133 . 18729 6 19 3 1 . . 122.723 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 6 20 1 1 . . 6.937 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 6 20 2 1 . . 174.230 . . 1 . 1 1 9 PHE C . . . . . . . . . . 144 . 18729 6 20 3 1 . . 122.624 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 6 21 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 6 21 2 1 . . 173.948 . . 1 . 1 1 11 PRO C . . . . . . . . . . 143 . 18729 6 21 3 1 . . 117.171 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 6 22 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 6 22 2 1 . . 176.518 . . 1 . 1 1 12 ASP C . . . . . . . . . . 235 . 18729 6 22 3 1 . . 117.123 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 6 23 1 1 . . 8.740 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 6 23 2 1 . . 177.375 . . 1 . 1 1 14 GLU C . . . . . . . . . . 141 . 18729 6 23 3 1 . . 119.959 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 6 24 1 1 . . 8.739 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 6 24 2 1 . . 179.133 . . 1 . 1 1 13 PRO C . . . . . . . . . . 142 . 18729 6 24 3 1 . . 119.858 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 6 25 1 1 . . 7.458 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 6 25 2 1 . . 177.888 . . 1 . 1 1 15 LYS C . . . . . . . . . . 139 . 18729 6 25 3 1 . . 116.349 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 6 26 1 1 . . 7.933 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 6 26 2 1 . . 177.862 . . 1 . 1 1 15 LYS C . . . . . . . . . . 139 . 18729 6 26 3 1 . . 114.937 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 6 27 1 1 . . 7.932 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 6 27 2 1 . . 177.346 . . 1 . 1 1 16 MET C . . . . . . . . . . 138 . 18729 6 27 3 1 . . 114.935 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 6 28 1 1 . . 7.665 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 6 28 2 1 . . 177.341 . . 1 . 1 1 16 MET C . . . . . . . . . . 138 . 18729 6 28 3 1 . . 109.122 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 6 29 1 1 . . 7.667 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 6 29 2 1 . . 171.676 . . 1 . 1 1 17 GLY C . . . . . . . . . . 137 . 18729 6 29 3 1 . . 109.288 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 6 30 1 1 . . 8.609 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 6 30 2 1 . . 177.640 . . 1 . 1 1 18 ASP C . . . . . . . . . . 136 . 18729 6 30 3 1 . . 119.881 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 6 31 1 1 . . 8.607 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 6 31 2 1 . . 171.901 . . 1 . 1 1 17 GLY C . . . . . . . . . . 137 . 18729 6 31 3 1 . . 119.955 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 6 32 1 1 . . 9.446 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 6 32 2 1 . . 177.325 . . 1 . 1 1 19 TRP C . . . . . . . . . . 135 . 18729 6 32 3 1 . . 120.859 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 6 33 1 1 . . 9.444 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 6 33 2 2 . . 175.462 . . 1 . 1 1 20 CYS C . . . . . . . . . . 134 . 18729 6 33 3 1 . . 120.829 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 6 34 1 1 . . 8.879 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 6 34 2 1 . . 172.036 . . 1 . 1 1 22 GLY C . . . . . . . . . . 132 . 18729 6 34 3 1 . . 109.428 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 6 35 1 1 . . 8.879 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 6 35 2 1 . . 176.870 . . 1 . 1 1 21 CYS C . . . . . . . . . . 133 . 18729 6 35 3 1 . . 109.433 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 6 36 1 1 . . 9.153 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 6 36 2 1 . . 171.990 . . 1 . 1 1 22 GLY C . . . . . . . . . . 132 . 18729 6 36 3 1 . . 125.384 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 6 37 1 1 . . 9.151 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 6 37 2 1 . . 174.046 . . 1 . 1 1 23 ARG C . . . . . . . . . . 130 . 18729 6 37 3 1 . . 125.386 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 6 38 1 1 . . 8.765 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 6 38 2 1 . . 174.781 . . 1 . 1 1 24 CYS C . . . . . . . . . . 129 . 18729 6 38 3 1 . . 132.553 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 6 39 1 1 . . 8.765 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 6 39 2 1 . . 175.176 . . 1 . 1 1 25 ILE C . . . . . . . . . . 155 . 18729 6 39 3 1 . . 132.490 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 6 40 1 1 . . 9.275 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 6 40 2 1 . . 175.527 . . 1 . 1 1 26 ARG C . . . . . . . . . . 127 . 18729 6 40 3 1 . . 128.876 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 6 41 1 1 . . 8.375 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 6 41 2 1 . . 174.052 . . 1 . 1 1 27 ASN C . . . . . . . . . . 126 . 18729 6 41 3 1 . . 106.132 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 6 42 1 1 . . 8.369 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 6 42 2 1 . . 175.564 . . 1 . 1 1 26 ARG C . . . . . . . . . . 127 . 18729 6 42 3 1 . . 106.085 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 6 43 1 1 . . 7.878 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 6 43 2 1 . . 174.035 . . 1 . 1 1 27 ASN C . . . . . . . . . . 126 . 18729 6 43 3 1 . . 121.252 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 6 44 1 1 . . 7.877 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 6 44 2 1 . . 175.918 . . 1 . 1 1 28 GLU C . . . . . . . . . . 125 . 18729 6 44 3 1 . . 121.325 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 6 45 1 1 . . 8.991 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 6 45 2 1 . . 176.294 . . 1 . 1 1 29 CYS C . . . . . . . . . . 124 . 18729 6 45 3 1 . . 125.134 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 6 46 1 1 . . 9.615 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 6 46 2 1 . . 175.253 . . 1 . 1 1 30 ARG C . . . . . . . . . . 123 . 18729 6 46 3 1 . . 125.165 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 6 47 1 1 . . 9.613 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 6 47 2 1 . . 176.276 . . 1 . 1 1 29 CYS C . . . . . . . . . . 124 . 18729 6 47 3 1 . . 125.221 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 6 48 1 1 . . 8.695 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 6 48 2 1 . . 175.106 . . 1 . 1 1 31 ASN C . . . . . . . . . . 122 . 18729 6 48 3 1 . . 115.780 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 6 49 1 1 . . 8.421 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 6 49 2 1 . . 178.493 . . 1 . 1 1 32 GLY C . . . . . . . . . . 236 . 18729 6 49 3 1 . . 114.634 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 6 50 1 1 . . 8.421 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 6 50 2 1 . . 175.055 . . 1 . 1 1 31 ASN C . . . . . . . . . . 122 . 18729 6 50 3 1 . . 114.608 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 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 18729 _Spectral_peak_list.ID 7 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name 'HCCoNNH (HccoNH)' _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 . . H 1 1H . . 2968.75000000 . . . . . . . 18729 7 2 . . H 1 1H . . 4000.00000000 . . . . . . . 18729 7 3 . . N 15 15N . . 2129.24518258 . . . . . . . 18729 7 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 7 2 1.0 . . 18729 7 3 1.0 . . 18729 7 4 1.0 . . 18729 7 5 1.0 . . 18729 7 6 1.0 . . 18729 7 7 1.0 . . 18729 7 8 1.0 . . 18729 7 9 1.0 . . 18729 7 10 1.0 . . 18729 7 11 1.0 . . 18729 7 12 1.0 . . 18729 7 13 1.0 . . 18729 7 14 1.0 . . 18729 7 15 1.0 . . 18729 7 16 1.0 . . 18729 7 17 1.0 . . 18729 7 18 1.0 . . 18729 7 19 1.0 . . 18729 7 20 1.0 . . 18729 7 21 1.0 . . 18729 7 22 1.0 . . 18729 7 23 1.0 . . 18729 7 24 1.0 . . 18729 7 25 1.0 . . 18729 7 26 1.0 . . 18729 7 27 1.0 . . 18729 7 28 1.0 . . 18729 7 29 1.0 . . 18729 7 30 1.0 . . 18729 7 31 1.0 . . 18729 7 32 1.0 . . 18729 7 33 1.0 . . 18729 7 34 1.0 . . 18729 7 35 1.0 . . 18729 7 36 1.0 . . 18729 7 37 1.0 . . 18729 7 38 1.0 . . 18729 7 39 1.0 . . 18729 7 40 1.0 . . 18729 7 41 1.0 . . 18729 7 42 1.0 . . 18729 7 43 1.0 . . 18729 7 44 1.0 . . 18729 7 45 1.0 . . 18729 7 46 1.0 . . 18729 7 47 1.0 . . 18729 7 48 1.0 . . 18729 7 49 1.0 . . 18729 7 50 1.0 . . 18729 7 51 1.0 . . 18729 7 52 1.0 . . 18729 7 53 1.0 . . 18729 7 54 1.0 . . 18729 7 55 1.0 . . 18729 7 56 1.0 . . 18729 7 57 1.0 . . 18729 7 58 1.0 . . 18729 7 59 1.0 . . 18729 7 60 1.0 . . 18729 7 61 1.0 . . 18729 7 62 1.0 . . 18729 7 63 1.0 . . 18729 7 64 1.0 . . 18729 7 65 1.0 . . 18729 7 66 1.0 . . 18729 7 67 1.0 . . 18729 7 68 1.0 . . 18729 7 69 1.0 . . 18729 7 70 1.0 . . 18729 7 71 1.0 . . 18729 7 72 1.0 . . 18729 7 73 1.0 . . 18729 7 74 1.0 . . 18729 7 75 1.0 . . 18729 7 76 1.0 . . 18729 7 77 1.0 . . 18729 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 5185880.50 . height 18729 7 1 104210443.75 . volume 18729 7 2 14688700.00 . height 18729 7 2 310797545.50 . volume 18729 7 3 10141618.00 . height 18729 7 3 215873791.00 . volume 18729 7 4 2838586.50 . height 18729 7 4 61129598.75 . volume 18729 7 5 1061863.00 . height 18729 7 5 23934010.00 . volume 18729 7 6 1400913.00 . height 18729 7 6 31837655.25 . volume 18729 7 7 2763402.75 . height 18729 7 7 57321231.00 . volume 18729 7 8 4084622.75 . height 18729 7 8 96458579.25 . volume 18729 7 9 3792742.75 . height 18729 7 9 88010025.75 . volume 18729 7 10 9371711.00 . height 18729 7 10 198450756.00 . volume 18729 7 11 8445742.00 . height 18729 7 11 179413953.50 . volume 18729 7 12 7930249.00 . height 18729 7 12 170981429.00 . volume 18729 7 13 7703160.00 . height 18729 7 13 160222752.50 . volume 18729 7 14 8629266.00 . height 18729 7 14 184141704.50 . volume 18729 7 15 4061401.50 . height 18729 7 15 85359918.50 . volume 18729 7 16 3085574.00 . height 18729 7 16 65921656.50 . volume 18729 7 17 1370134.75 . height 18729 7 17 31354535.00 . volume 18729 7 18 1302109.50 . height 18729 7 18 29890333.50 . volume 18729 7 19 921569.75 . height 18729 7 19 21266328.00 . volume 18729 7 20 671958.75 . height 18729 7 20 14945669.75 . volume 18729 7 21 3380020.75 . height 18729 7 21 78051359.50 . volume 18729 7 22 2127442.75 . height 18729 7 22 48548710.75 . volume 18729 7 23 1174902.75 . height 18729 7 23 26530036.25 . volume 18729 7 24 4279892.00 . height 18729 7 24 95685336.00 . volume 18729 7 25 4283265.00 . height 18729 7 25 95419012.50 . volume 18729 7 26 2765528.75 . height 18729 7 26 60736829.25 . volume 18729 7 27 812811.50 . height 18729 7 27 18676493.50 . volume 18729 7 28 2340171.75 . height 18729 7 28 53119746.25 . volume 18729 7 29 4225678.00 . height 18729 7 29 88083539.75 . volume 18729 7 30 837438.25 . height 18729 7 30 19484644.75 . volume 18729 7 31 2992583.75 . height 18729 7 31 68625692.75 . volume 18729 7 32 1326911.75 . height 18729 7 32 30383416.25 . volume 18729 7 33 1248750.25 . height 18729 7 33 27270188.50 . volume 18729 7 34 2715342.75 . height 18729 7 34 62366203.75 . volume 18729 7 35 1337750.00 . height 18729 7 35 28364365.00 . volume 18729 7 36 5726050.00 . height 18729 7 36 123398524.00 . volume 18729 7 37 6283889.00 . height 18729 7 37 138476850.75 . volume 18729 7 38 7541912.00 . height 18729 7 38 162040863.50 . volume 18729 7 39 3606585.25 . height 18729 7 39 78219695.75 . volume 18729 7 40 2720920.75 . height 18729 7 40 58431539.25 . volume 18729 7 41 2071621.75 . height 18729 7 41 46432825.00 . volume 18729 7 42 6582452.50 . height 18729 7 42 137680720.75 . volume 18729 7 43 6244228.00 . height 18729 7 43 132270144.00 . volume 18729 7 44 741830.00 . height 18729 7 44 16402366.00 . volume 18729 7 45 1016434.00 . height 18729 7 45 21733621.75 . volume 18729 7 46 6383396.00 . height 18729 7 46 136221763.25 . volume 18729 7 47 6930920.00 . height 18729 7 47 147705574.50 . volume 18729 7 48 1720404.00 . height 18729 7 48 36844408.50 . volume 18729 7 49 8086944.50 . height 18729 7 49 173276782.00 . volume 18729 7 50 8278450.00 . height 18729 7 50 174319909.00 . volume 18729 7 51 795456.00 . height 18729 7 51 17261202.00 . volume 18729 7 52 1631753.75 . height 18729 7 52 35632506.25 . volume 18729 7 53 1360139.50 . height 18729 7 53 29557795.25 . volume 18729 7 54 1061811.25 . height 18729 7 54 23853003.50 . volume 18729 7 55 6901529.00 . height 18729 7 55 152400907.00 . volume 18729 7 56 7432447.00 . height 18729 7 56 157737935.75 . volume 18729 7 57 1074211.25 . height 18729 7 57 23350293.50 . volume 18729 7 58 808384.50 . height 18729 7 58 17815600.75 . volume 18729 7 59 1855721.00 . height 18729 7 59 40358268.25 . volume 18729 7 60 8515018.00 . height 18729 7 60 180553128.50 . volume 18729 7 61 1564890.75 . height 18729 7 61 34403985.75 . volume 18729 7 62 9292969.00 . height 18729 7 62 196368886.50 . volume 18729 7 63 983900.75 . height 18729 7 63 21619352.75 . volume 18729 7 64 565093.00 . height 18729 7 64 14227062.00 . volume 18729 7 65 5398954.50 . height 18729 7 65 119078745.00 . volume 18729 7 66 1074347.75 . height 18729 7 66 23171499.25 . volume 18729 7 67 13885392.00 . height 18729 7 67 295293071.50 . volume 18729 7 68 2061344.75 . height 18729 7 68 42849179.50 . volume 18729 7 69 930474.75 . height 18729 7 69 21213089.50 . volume 18729 7 70 432911.75 . height 18729 7 70 10286990.50 . volume 18729 7 71 498317.75 . height 18729 7 71 11834265.25 . volume 18729 7 72 645059.25 . height 18729 7 72 14621682.25 . volume 18729 7 73 426591.75 . height 18729 7 73 8882658.50 . volume 18729 7 74 299018.50 . height 18729 7 74 7109334.75 . volume 18729 7 75 1219386.50 . height 18729 7 75 28349735.25 . volume 18729 7 76 4655655.50 . height 18729 7 76 104864383.50 . volume 18729 7 77 1350871.00 . height 18729 7 77 36310405.75 . volume 18729 7 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.251 . 24.7342884541 . . . . . . . . . . 1 18729 7 1 2 4.488 . 31.1639308929 . . . . . . . . . . 1 18729 7 1 3 118.061 . 31.7800061512 . . . . . . . . . . 1 18729 7 2 1 8.252 . 27.3267924786 . . . . . . . . . . 1 18729 7 2 2 2.329 . 32.4435234070 . . . . . . . . . . 1 18729 7 2 3 118.071 . 36.3359255340 . . . . . . . . . . 1 18729 7 3 1 8.804 . 27.7279317379 . . . . . . . . . . 1 18729 7 3 2 4.839 . 32.5821638107 . . . . . . . . . . 1 18729 7 3 3 121.912 . 37.2750810144 . . . . . . . . . . 1 18729 7 4 1 8.994 . 25.7220864296 . . . . . . . . . . 1 18729 7 4 2 2.160 . 36.3118648529 . . . . . . . . . . 1 18729 7 4 3 129.789 . 35.5006482646 . . . . . . . . . . 1 18729 7 5 1 8.976 . 33.5752218962 . . . . . . . . . . 1 18729 7 5 2 1.211 . 51.8882274628 . . . . . . . . . . 1 18729 7 5 3 129.883 . 36.5482825486 . . . . . . . . . . 1 18729 7 6 1 8.987 . 26.1916220188 . . . . . . . . . . 1 18729 7 6 2 0.981 . 51.7604351044 . . . . . . . . . . 1 18729 7 6 3 129.906 . 39.2319193336 . . . . . . . . . . 1 18729 7 7 1 8.705 . 23.9351391792 . . . . . . . . . . 1 18729 7 7 2 4.109 . 36.0925197601 . . . . . . . . . . 1 18729 7 7 3 119.264 . 31.0472110507 . . . . . . . . . . 1 18729 7 8 1 8.704 . 31.1960279942 . . . . . . . . . . 1 18729 7 8 2 2.368 . 84.4409465790 . . . . . . . . . . 1 18729 7 8 3 119.287 . 39.1698271959 . . . . . . . . . . 1 18729 7 9 1 8.700 . 28.7514925003 . . . . . . . . . . 1 18729 7 9 2 2.446 . 90.9624099731 . . . . . . . . . . 1 18729 7 9 3 119.287 . 38.0927808468 . . . . . . . . . . 1 18729 7 10 1 9.565 . 28.2777845860 . . . . . . . . . . 1 18729 7 10 2 4.111 . 31.3686132431 . . . . . . . . . . 1 18729 7 10 3 113.140 . 36.4864442367 . . . . . . . . . . 1 18729 7 11 1 8.319 . 28.8191437721 . . . . . . . . . . 1 18729 7 11 2 4.524 . 33.2007408142 . . . . . . . . . . 1 18729 7 11 3 108.197 . 34.8875954879 . . . . . . . . . . 1 18729 7 12 1 8.319 . 28.6643207073 . . . . . . . . . . 1 18729 7 12 2 3.867 . 36.2321138382 . . . . . . . . . . 1 18729 7 12 3 108.197 . 35.7597409556 . . . . . . . . . . 1 18729 7 13 1 8.426 . 25.5453586578 . . . . . . . . . . 1 18729 7 13 2 3.580 . 32.9749584198 . . . . . . . . . . 1 18729 7 13 3 120.625 . 34.7709625303 . . . . . . . . . . 1 18729 7 14 1 8.425 . 25.5464017391 . . . . . . . . . . 1 18729 7 14 2 4.303 . 34.7316265106 . . . . . . . . . . 1 18729 7 14 3 120.607 . 36.9944131299 . . . . . . . . . . 1 18729 7 15 1 6.924 . 26.0193645954 . . . . . . . . . . 1 18729 7 15 2 3.408 . 34.0133905411 . . . . . . . . . . 1 18729 7 15 3 122.552 . 33.6561595925 . . . . . . . . . . 1 18729 7 16 1 6.924 . 24.9207019806 . . . . . . . . . . 1 18729 7 16 2 4.732 . 36.4367961884 . . . . . . . . . . 1 18729 7 16 3 122.557 . 35.8494683778 . . . . . . . . . . 1 18729 7 17 1 8.108 . 25.6651639938 . . . . . . . . . . 1 18729 7 17 2 2.678 . 63.2650852203 . . . . . . . . . . 1 18729 7 17 3 117.083 . 38.5384989612 . . . . . . . . . . 1 18729 7 18 1 8.113 . 23.3405828476 . . . . . . . . . . 1 18729 7 18 2 2.414 . 71.5906620026 . . . . . . . . . . 1 18729 7 18 3 117.134 . 40.1643801583 . . . . . . . . . . 1 18729 7 19 1 8.107 . 27.3874402046 . . . . . . . . . . 1 18729 7 19 2 1.944 . 59.1681003571 . . . . . . . . . . 1 18729 7 19 3 117.123 . 42.1730306701 . . . . . . . . . . 1 18729 7 20 1 8.099 . 24.0980088711 . . . . . . . . . . 1 18729 7 20 2 1.681 . 51.8395900726 . . . . . . . . . . 1 18729 7 20 3 117.111 . 34.2209220098 . . . . . . . . . . 1 18729 7 21 1 8.731 . 28.5641849041 . . . . . . . . . . 1 18729 7 21 2 3.870 . 52.8478622437 . . . . . . . . . . 1 18729 7 21 3 119.881 . 41.9077827034 . . . . . . . . . . 1 18729 7 22 1 8.736 . 28.7780165672 . . . . . . . . . . 1 18729 7 22 2 2.048 . 84.4089984894 . . . . . . . . . . 1 18729 7 22 3 119.844 . 40.3461194351 . . . . . . . . . . 1 18729 7 23 1 8.735 . 27.8510153294 . . . . . . . . . . 1 18729 7 23 2 1.980 . 145.0564861300 . . . . . . . . . . 1 18729 7 23 3 119.920 . 32.2398750543 . . . . . . . . . . 1 18729 7 24 1 7.443 . 27.7286767960 . . . . . . . . . . 1 18729 7 24 2 2.375 . 109.5056533810 . . . . . . . . . . 1 18729 7 24 3 116.270 . 35.1456094192 . . . . . . . . . . 1 18729 7 25 1 7.445 . 29.4063985348 . . . . . . . . . . 1 18729 7 25 2 2.276 . 109.4777584080 . . . . . . . . . . 1 18729 7 25 3 116.270 . 34.7444377336 . . . . . . . . . . 1 18729 7 26 1 7.444 . 25.0574946404 . . . . . . . . . . 1 18729 7 26 2 4.125 . 43.4976816177 . . . . . . . . . . 1 18729 7 26 3 116.265 . 37.1826884212 . . . . . . . . . . 1 18729 7 27 1 7.442 . 25.3249704838 . . . . . . . . . . 1 18729 7 27 2 2.106 . 52.7615547180 . . . . . . . . . . 1 18729 7 27 3 116.258 . 40.4529800992 . . . . . . . . . . 1 18729 7 28 1 7.919 . 30.6794047356 . . . . . . . . . . 1 18729 7 28 2 1.739 . 51.7246723175 . . . . . . . . . . 1 18729 7 28 3 114.902 . 37.1961411889 . . . . . . . . . . 1 18729 7 29 1 7.920 . 26.8641114235 . . . . . . . . . . 1 18729 7 29 2 3.046 . 34.7476005554 . . . . . . . . . . 1 18729 7 29 3 114.905 . 32.2998414009 . . . . . . . . . . 1 18729 7 30 1 7.923 . 26.6699492931 . . . . . . . . . . 1 18729 7 30 2 1.427 . 130.2831172940 . . . . . . . . . . 1 18729 7 30 3 114.877 . 38.7701150087 . . . . . . . . . . 1 18729 7 31 1 7.654 . 26.5480577946 . . . . . . . . . . 1 18729 7 31 2 2.504 . 67.0287609100 . . . . . . . . . . 1 18729 7 31 3 109.274 . 41.1355176902 . . . . . . . . . . 1 18729 7 32 1 7.653 . 30.4505228996 . . . . . . . . . . 1 18729 7 32 2 2.311 . 53.0111789703 . . . . . . . . . . 1 18729 7 32 3 109.269 . 38.5141316839 . . . . . . . . . . 1 18729 7 33 1 7.651 . 25.9545445442 . . . . . . . . . . 1 18729 7 33 2 1.754 . 50.7645606995 . . . . . . . . . . 1 18729 7 33 3 109.231 . 33.2462309167 . . . . . . . . . . 1 18729 7 34 1 7.653 . 27.2460281849 . . . . . . . . . . 1 18729 7 34 2 2.556 . 71.3577270508 . . . . . . . . . . 1 18729 7 34 3 109.274 . 40.8083362269 . . . . . . . . . . 1 18729 7 35 1 7.652 . 23.1140851974 . . . . . . . . . . 1 18729 7 35 2 4.803 . 46.9490289688 . . . . . . . . . . 1 18729 7 35 3 109.258 . 33.0552269980 . . . . . . . . . . 1 18729 7 36 1 8.602 . 27.1654129028 . . . . . . . . . . 1 18729 7 36 2 4.432 . 36.8571281433 . . . . . . . . . . 1 18729 7 36 3 119.888 . 37.3012250723 . . . . . . . . . . 1 18729 7 37 1 8.602 . 27.6258587837 . . . . . . . . . . 1 18729 7 37 2 3.819 . 38.2478237152 . . . . . . . . . . 1 18729 7 37 3 119.849 . 37.6559466355 . . . . . . . . . . 1 18729 7 38 1 8.214 . 26.2875854969 . . . . . . . . . . 1 18729 7 38 2 4.895 . 33.8389277458 . . . . . . . . . . 1 18729 7 38 3 126.861 . 37.5315085344 . . . . . . . . . . 1 18729 7 39 1 9.444 . 26.4586508274 . . . . . . . . . . 1 18729 7 39 2 3.640 . 39.2791032791 . . . . . . . . . . 1 18729 7 39 3 120.754 . 38.0168869309 . . . . . . . . . . 1 18729 7 40 1 9.445 . 24.4102627039 . . . . . . . . . . 1 18729 7 40 2 3.051 . 39.6568775177 . . . . . . . . . . 1 18729 7 40 3 120.739 . 34.2539193645 . . . . . . . . . . 1 18729 7 41 1 9.446 . 25.1770019531 . . . . . . . . . . 1 18729 7 41 2 4.884 . 47.9674935341 . . . . . . . . . . 1 18729 7 41 3 120.747 . 39.1104954139 . . . . . . . . . . 1 18729 7 42 1 9.259 . 25.2506136894 . . . . . . . . . . 1 18729 7 42 2 4.864 . 32.4169397354 . . . . . . . . . . 1 18729 7 42 3 122.619 . 35.7191922831 . . . . . . . . . . 1 18729 7 43 1 8.875 . 28.1371176243 . . . . . . . . . . 1 18729 7 43 2 4.573 . 32.4925184250 . . . . . . . . . . 1 18729 7 43 3 109.362 . 35.4587035503 . . . . . . . . . . 1 18729 7 44 1 8.870 . 22.4567949772 . . . . . . . . . . 1 18729 7 44 2 2.746 . 70.7390308380 . . . . . . . . . . 1 18729 7 44 3 109.419 . 43.2472214790 . . . . . . . . . . 1 18729 7 45 1 8.874 . 22.9668617249 . . . . . . . . . . 1 18729 7 45 2 3.289 . 40.6262874603 . . . . . . . . . . 1 18729 7 45 3 109.509 . 35.9319617646 . . . . . . . . . . 1 18729 7 46 1 9.146 . 26.6399979591 . . . . . . . . . . 1 18729 7 46 2 4.266 . 34.8397493362 . . . . . . . . . . 1 18729 7 46 3 125.357 . 36.0994867962 . . . . . . . . . . 1 18729 7 47 1 9.145 . 27.2605568171 . . . . . . . . . . 1 18729 7 47 2 3.827 . 32.3448181152 . . . . . . . . . . 1 18729 7 47 3 125.357 . 36.6048539750 . . . . . . . . . . 1 18729 7 48 1 10.612 . 28.9561972022 . . . . . . . . . . 1 18729 7 48 2 1.663 . 36.5631580353 . . . . . . . . . . 1 18729 7 48 3 127.176 . 31.8888339653 . . . . . . . . . . 1 18729 7 49 1 10.614 . 31.2753953040 . . . . . . . . . . 1 18729 7 49 2 3.227 . 31.4973592758 . . . . . . . . . . 1 18729 7 49 3 127.189 . 37.8527250912 . . . . . . . . . . 1 18729 7 50 1 8.762 . 27.3640453815 . . . . . . . . . . 1 18729 7 50 2 4.717 . 32.7380895615 . . . . . . . . . . 1 18729 7 50 3 132.488 . 34.5182789409 . . . . . . . . . . 1 18729 7 51 1 9.274 . 24.8182564974 . . . . . . . . . . 1 18729 7 51 2 4.315 . 41.8540239334 . . . . . . . . . . 1 18729 7 51 3 128.827 . 34.5690441020 . . . . . . . . . . 1 18729 7 52 1 9.269 . 25.5018472672 . . . . . . . . . . 1 18729 7 52 2 1.792 . 42.6054000854 . . . . . . . . . . 1 18729 7 52 3 128.848 . 34.4355634565 . . . . . . . . . . 1 18729 7 53 1 9.273 . 28.6715477705 . . . . . . . . . . 1 18729 7 53 2 0.912 . 43.5132980347 . . . . . . . . . . 1 18729 7 53 3 128.797 . 34.1621613358 . . . . . . . . . . 1 18729 7 54 1 9.277 . 34.1983884573 . . . . . . . . . . 1 18729 7 54 2 0.817 . 100.9416580200 . . . . . . . . . . 1 18729 7 54 3 128.809 . 35.0933213032 . . . . . . . . . . 1 18729 7 55 1 8.363 . 27.8756022453 . . . . . . . . . . 1 18729 7 55 2 3.279 . 49.1944551468 . . . . . . . . . . 1 18729 7 55 3 106.079 . 36.8651523385 . . . . . . . . . . 1 18729 7 56 1 7.865 . 27.3098051548 . . . . . . . . . . 1 18729 7 56 2 4.351 . 33.4881544113 . . . . . . . . . . 1 18729 7 56 3 121.253 . 36.2826855713 . . . . . . . . . . 1 18729 7 57 1 7.862 . 30.7291746140 . . . . . . . . . . 1 18729 7 57 2 3.283 . 48.2197999954 . . . . . . . . . . 1 18729 7 57 3 121.273 . 33.4404711143 . . . . . . . . . . 1 18729 7 58 1 7.865 . 25.2917408943 . . . . . . . . . . 1 18729 7 58 2 2.936 . 49.8485565186 . . . . . . . . . . 1 18729 7 58 3 121.225 . 36.5254064978 . . . . . . . . . . 1 18729 7 59 1 8.985 . 27.5486707687 . . . . . . . . . . 1 18729 7 59 2 5.056 . 41.8070554733 . . . . . . . . . . 1 18729 7 59 3 125.058 . 32.8863693809 . . . . . . . . . . 1 18729 7 60 1 8.989 . 26.5707075596 . . . . . . . . . . 1 18729 7 60 2 2.189 . 35.2861881256 . . . . . . . . . . 1 18729 7 60 3 125.091 . 34.9689466585 . . . . . . . . . . 1 18729 7 61 1 8.986 . 24.2401659489 . . . . . . . . . . 1 18729 7 61 2 1.924 . 56.3647747040 . . . . . . . . . . 1 18729 7 61 3 125.118 . 33.4714378626 . . . . . . . . . . 1 18729 7 62 1 9.615 . 27.3496657610 . . . . . . . . . . 1 18729 7 62 2 5.268 . 31.8959951401 . . . . . . . . . . 1 18729 7 62 3 125.142 . 35.9883110934 . . . . . . . . . . 1 18729 7 63 1 8.694 . 23.3940780163 . . . . . . . . . . 1 18729 7 63 2 2.086 . 49.3805408478 . . . . . . . . . . 1 18729 7 63 3 115.800 . 37.0546333023 . . . . . . . . . . 1 18729 7 64 1 8.675 . 45.2861189842 . . . . . . . . . . 1 18729 7 64 2 1.789 . 50.7562160492 . . . . . . . . . . 1 18729 7 64 3 115.853 . 67.5782017163 . . . . . . . . . . 1 18729 7 65 1 8.694 . 27.0643830299 . . . . . . . . . . 1 18729 7 65 2 3.194 . 48.9633083344 . . . . . . . . . . 1 18729 7 65 3 115.746 . 35.8096177263 . . . . . . . . . . 1 18729 7 66 1 8.689 . 23.2653319836 . . . . . . . . . . 1 18729 7 66 2 4.765 . 41.6619777679 . . . . . . . . . . 1 18729 7 66 3 115.853 . 34.8081480108 . . . . . . . . . . 1 18729 7 67 1 8.413 . 28.8124382496 . . . . . . . . . . 1 18729 7 67 2 4.574 . 32.5144529343 . . . . . . . . . . 1 18729 7 67 3 114.576 . 36.1987326862 . . . . . . . . . . 1 18729 7 68 1 7.923 . 27.1362066269 . . . . . . . . . . 1 18729 7 68 2 4.431 . 36.1590385437 . . . . . . . . . . 1 18729 7 68 3 114.875 . 30.9378121286 . . . . . . . . . . 1 18729 7 69 1 7.920 . 26.5878438950 . . . . . . . . . . 1 18729 7 69 2 1.887 . 61.6815090179 . . . . . . . . . . 1 18729 7 69 3 114.952 . 40.1961083840 . . . . . . . . . . 1 18729 7 70 1 8.106 . 25.1181423664 . . . . . . . . . . 1 18729 7 70 2 0.726 . 109.0464591980 . . . . . . . . . . 1 18729 7 70 3 117.110 . 46.2430005483 . . . . . . . . . . 1 18729 7 71 1 8.106 . 27.1454453468 . . . . . . . . . . 1 18729 7 71 2 0.794 . 103.6055088040 . . . . . . . . . . 1 18729 7 71 3 117.110 . 51.3795464612 . . . . . . . . . . 1 18729 7 72 1 7.921 . 27.1746516228 . . . . . . . . . . 1 18729 7 72 2 1.518 . 133.7461471560 . . . . . . . . . . 1 18729 7 72 3 114.877 . 35.5480502338 . . . . . . . . . . 1 18729 7 73 1 8.356 . 23.1197476387 . . . . . . . . . . 1 18729 7 73 2 1.997 . 43.1659221649 . . . . . . . . . . 1 18729 7 73 3 106.149 . 38.8880170954 . . . . . . . . . . 1 18729 7 74 1 8.354 . 33.2179665565 . . . . . . . . . . 1 18729 7 74 2 1.851 . 59.8669052124 . . . . . . . . . . 1 18729 7 74 3 106.090 . 49.7313285932 . . . . . . . . . . 1 18729 7 75 1 8.737 . 27.1540880203 . . . . . . . . . . 1 18729 7 75 2 2.082 . 109.5924377440 . . . . . . . . . . 1 18729 7 75 3 119.920 . 38.7116716170 . . . . . . . . . . 1 18729 7 76 1 8.694 . 26.8594920635 . . . . . . . . . . 1 18729 7 76 2 3.258 . 52.9730319977 . . . . . . . . . . 1 18729 7 76 3 115.746 . 37.3979327042 . . . . . . . . . . 1 18729 7 77 1 8.360 . 26.9240140915 . . . . . . . . . . 1 18729 7 77 2 3.220 . 112.7907037730 . . . . . . . . . . 1 18729 7 77 3 106.079 . 33.7267231665 . . . . . . . . . . 1 18729 7 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.251 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 7 1 2 1 . . 4.488 . . 1 . 1 1 2 GLU HA . . . . . . . . . . 234 . 18729 7 1 3 1 . . 118.061 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 7 2 1 1 . . 8.252 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 7 2 2 1 . . 2.329 . . 1 . 1 1 2 GLU HG2 . . . . . . . . . . 245 . 18729 7 2 2 2 . . 2.329 . . 1 . 1 1 2 GLU HG3 . . . . . . . . . . 246 . 18729 7 2 3 1 . . 118.071 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 7 3 1 1 . . 8.804 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 7 3 2 1 . . 4.839 . . 1 . 1 1 3 CYS HA . . . . . . . . . . 231 . 18729 7 3 3 1 . . 121.912 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 7 4 1 1 . . 8.994 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 7 4 2 1 . . 2.160 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 7 4 3 1 . . 129.789 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 7 5 1 1 . . 8.976 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 7 5 2 1 . . 1.211 . . 1 . 1 1 4 VAL MG2 . . . . . . . . . . 248 . 18729 7 5 3 1 . . 129.883 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 7 6 1 1 . . 8.987 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 7 6 2 1 . . 0.981 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 7 6 3 1 . . 129.906 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 7 7 1 1 . . 8.705 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 7 7 2 2 . . 4.109 . . 1 . 1 1 5 GLU HA . . . . . . . . . . 226 . 18729 7 7 3 1 . . 119.264 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 7 8 1 1 . . 8.704 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 7 8 2 1 . . 2.368 . . 1 . 1 1 5 GLU HG3 . . . . . . . . . . 249 . 18729 7 8 3 1 . . 119.287 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 7 9 1 1 . . 8.700 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 7 9 2 1 . . 2.446 . . 1 . 1 1 5 GLU HG2 . . . . . . . . . . 250 . 18729 7 9 3 1 . . 119.287 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 7 10 1 1 . . 9.565 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 7 10 2 1 . . 4.111 . . 1 . 1 1 6 ASN HA . . . . . . . . . . 223 . 18729 7 10 3 1 . . 113.140 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 7 11 1 1 . . 8.319 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 7 11 2 1 . . 4.524 . . 1 . 1 1 7 GLY HA2 . . . . . . . . . . 220 . 18729 7 11 3 2 . . 108.197 . . 1 . 1 1 8 GLY N . . . . . . . . . . 29 . 18729 7 12 1 1 . . 8.319 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 7 12 2 1 . . 3.867 . . 1 . 1 1 7 GLY HA3 . . . . . . . . . . 219 . 18729 7 12 3 1 . . 108.197 . . 1 . 1 1 8 GLY N . . . . . . . . . . 29 . 18729 7 13 1 1 . . 8.426 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 7 13 2 1 . . 3.580 . . 1 . 1 1 8 GLY HA3 . . . . . . . . . . 217 . 18729 7 13 3 1 . . 120.625 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 7 14 1 1 . . 8.425 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 7 14 2 1 . . 4.303 . . 1 . 1 1 8 GLY HA2 . . . . . . . . . . 218 . 18729 7 14 3 1 . . 120.607 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 7 15 1 1 . . 6.924 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 7 15 2 1 . . 3.408 . . 1 . 1 1 9 PHE HB2 . . . . . . . . . . 215 . 18729 7 15 3 1 . . 122.552 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 7 16 1 1 . . 6.924 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 7 16 2 1 . . 4.732 . . 1 . 1 1 9 PHE HA . . . . . . . . . . 216 . 18729 7 16 3 1 . . 122.557 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 7 17 1 1 . . 8.108 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 7 17 2 1 . . 2.678 . . 1 . 1 1 11 PRO HD3 . . . . . . . . . . 282 . 18729 7 17 3 1 . . 117.083 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 7 18 1 1 . . 8.113 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 7 18 2 1 . . 2.414 . . 1 . 1 1 11 PRO HD2 . . . . . . . . . . 281 . 18729 7 18 3 1 . . 117.134 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 7 19 1 1 . . 8.107 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 7 19 2 1 . . 1.944 . . 1 . 1 1 11 PRO HB3 . . . . . . . . . . 212 . 18729 7 19 3 1 . . 117.123 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 7 20 1 1 . . 8.099 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 7 20 2 1 . . 1.681 . . 1 . 1 1 11 PRO HB2 . . . . . . . . . . 211 . 18729 7 20 3 1 . . 117.111 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 7 21 1 1 . . 8.731 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 7 21 2 1 . . 3.870 . . 1 . 1 1 13 PRO HD3 . . . . . . . . . . 251 . 18729 7 21 2 2 . . 3.870 . . 1 . 1 1 13 PRO HD2 . . . . . . . . . . 252 . 18729 7 21 3 1 . . 119.881 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 7 22 1 1 . . 8.736 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 7 22 2 1 . . 2.048 . . 1 . 1 1 13 PRO HB3 . . . . . . . . . . 209 . 18729 7 22 2 2 . . 2.048 . . 1 . 1 1 13 PRO HB2 . . . . . . . . . . 210 . 18729 7 22 3 2 . . 119.844 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 7 23 1 1 . . 8.735 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 7 23 2 2 . . 1.980 . . 1 . 1 1 13 PRO HG3 . . . . . . . . . . 254 . 18729 7 23 3 1 . . 119.920 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 7 24 1 1 . . 7.443 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 7 24 2 1 . . 2.375 . . 1 . 1 1 14 GLU HG2 . . . . . . . . . . 256 . 18729 7 24 3 1 . . 116.270 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 7 25 1 1 . . 7.445 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 7 25 2 1 . . 2.276 . . 1 . 1 1 14 GLU HG3 . . . . . . . . . . 255 . 18729 7 25 3 1 . . 116.270 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 7 26 1 1 . . 7.444 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 7 26 2 1 . . 4.125 . . 1 . 1 1 14 GLU HA . . . . . . . . . . 205 . 18729 7 26 3 1 . . 116.265 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 7 27 1 1 . . 7.442 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 7 27 2 1 . . 2.106 . . 1 . 1 1 14 GLU HB2 . . . . . . . . . . 207 . 18729 7 27 2 2 . . 2.106 . . 1 . 1 1 14 GLU HB3 . . . . . . . . . . 206 . 18729 7 27 3 1 . . 116.258 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 7 28 1 1 . . 7.919 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 7 28 2 1 . . 1.739 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 7 28 2 2 . . 1.739 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 7 28 3 1 . . 114.902 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 7 29 1 1 . . 7.920 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 7 29 2 1 . . 3.046 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 7 29 2 2 . . 3.046 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 7 29 3 1 . . 114.905 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 7 30 1 1 . . 7.923 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 7 30 2 1 . . 1.427 . . 1 . 1 1 15 LYS HG2 . . . . . . . . . . 259 . 18729 7 30 3 1 . . 114.877 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 7 31 1 1 . . 7.654 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 7 31 2 1 . . 2.504 . . 1 . 1 1 16 MET HG2 . . . . . . . . . . 263 . 18729 7 31 3 1 . . 109.274 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 7 32 1 1 . . 7.653 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 7 32 2 1 . . 2.311 . . 1 . 1 1 16 MET HB3 . . . . . . . . . . 200 . 18729 7 32 3 1 . . 109.269 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 7 33 1 1 . . 7.651 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 7 33 2 1 . . 1.754 . . 1 . 1 1 16 MET HB2 . . . . . . . . . . 199 . 18729 7 33 3 1 . . 109.231 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 7 34 1 1 . . 7.653 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 7 34 2 1 . . 2.556 . . 1 . 1 1 16 MET HG3 . . . . . . . . . . 264 . 18729 7 34 3 1 . . 109.274 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 7 35 1 1 . . 7.652 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 7 35 2 1 . . 4.803 . . 1 . 1 1 16 MET HA . . . . . . . . . . 201 . 18729 7 35 3 1 . . 109.258 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 7 36 1 1 . . 8.602 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 7 36 2 1 . . 4.432 . . 1 . 1 1 17 GLY HA3 . . . . . . . . . . 157 . 18729 7 36 3 1 . . 119.888 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 7 37 1 1 . . 8.602 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 7 37 2 1 . . 3.819 . . 1 . 1 1 17 GLY HA2 . . . . . . . . . . 156 . 18729 7 37 3 1 . . 119.849 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 7 38 1 1 . . 8.214 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 7 38 2 1 . . 4.895 . . 1 . 1 1 18 ASP HA . . . . . . . . . . 198 . 18729 7 38 3 1 . . 126.861 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 7 39 1 1 . . 9.444 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 7 39 2 1 . . 3.640 . . 1 . 1 1 19 TRP HB3 . . . . . . . . . . 194 . 18729 7 39 3 1 . . 120.754 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 7 40 1 1 . . 9.445 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 7 40 2 1 . . 3.051 . . 1 . 1 1 19 TRP HB2 . . . . . . . . . . 193 . 18729 7 40 3 1 . . 120.739 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 7 41 1 1 . . 9.446 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 7 41 2 1 . . 4.884 . . 1 . 1 1 19 TRP HA . . . . . . . . . . 195 . 18729 7 41 3 1 . . 120.747 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 7 42 1 1 . . 9.259 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 7 42 2 1 . . 4.864 . . 1 . 1 1 20 CYS HA . . . . . . . . . . 192 . 18729 7 42 3 2 . . 122.619 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 7 43 1 1 . . 8.875 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 7 43 2 1 . . 4.573 . . 1 . 1 1 21 CYS HA . . . . . . . . . . 189 . 18729 7 43 3 1 . . 109.362 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 7 44 1 1 . . 8.870 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 7 44 2 1 . . 2.746 . . 1 . 1 1 21 CYS HB2 . . . . . . . . . . 187 . 18729 7 44 3 1 . . 109.419 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 7 45 1 1 . . 8.874 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 7 45 2 1 . . 3.289 . . 1 . 1 1 21 CYS HB3 . . . . . . . . . . 188 . 18729 7 45 3 1 . . 109.509 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 7 46 1 1 . . 9.146 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 7 46 2 1 . . 4.266 . . 1 . 1 1 22 GLY HA3 . . . . . . . . . . 186 . 18729 7 46 3 1 . . 125.357 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 7 47 1 1 . . 9.145 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 7 47 2 1 . . 3.827 . . 1 . 1 1 22 GLY HA2 . . . . . . . . . . 185 . 18729 7 47 3 1 . . 125.357 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 7 48 1 1 . . 10.612 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 7 48 2 1 . . 1.663 . . 1 . 1 1 23 ARG HB3 . . . . . . . . . . 184 . 18729 7 48 2 2 . . 1.663 . . 1 . 1 1 23 ARG HB2 . . . . . . . . . . 183 . 18729 7 48 3 1 . . 127.176 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 7 49 1 1 . . 10.614 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 7 49 2 1 . . 3.227 . . 1 . 1 1 23 ARG HD2 . . . . . . . . . . 265 . 18729 7 49 2 2 . . 3.227 . . 1 . 1 1 23 ARG HD3 . . . . . . . . . . 266 . 18729 7 49 3 1 . . 127.189 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 7 50 1 1 . . 8.762 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 7 50 2 1 . . 4.717 . . 1 . 1 1 24 CYS HA . . . . . . . . . . 179 . 18729 7 50 3 1 . . 132.488 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 7 51 1 1 . . 9.274 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 7 51 2 1 . . 4.315 . . 1 . 1 1 25 ILE HA . . . . . . . . . . 177 . 18729 7 51 3 1 . . 128.827 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 7 52 1 1 . . 9.269 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 7 52 2 1 . . 1.792 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 7 52 3 1 . . 128.848 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 7 53 1 1 . . 9.273 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 7 53 2 1 . . 0.912 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 7 53 3 1 . . 128.797 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 7 54 1 1 . . 9.277 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 7 54 2 1 . . 0.817 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 7 54 3 1 . . 128.809 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 7 55 1 1 . . 8.363 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 7 55 2 1 . . 3.279 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 7 55 3 1 . . 106.079 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 7 56 1 1 . . 7.865 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 7 56 2 1 . . 4.351 . . 1 . 1 1 27 ASN HA . . . . . . . . . . 170 . 18729 7 56 3 1 . . 121.253 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 7 57 1 1 . . 7.862 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 7 57 2 1 . . 3.283 . . 1 . 1 1 27 ASN HB2 . . . . . . . . . . 171 . 18729 7 57 3 1 . . 121.273 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 7 58 1 1 . . 7.865 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 7 58 2 1 . . 2.936 . . 1 . 1 1 27 ASN HB3 . . . . . . . . . . 172 . 18729 7 58 3 1 . . 121.225 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 7 59 1 1 . . 8.985 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 7 59 2 1 . . 5.056 . . 1 . 1 1 28 GLU HA . . . . . . . . . . 167 . 18729 7 59 3 1 . . 125.058 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 7 60 1 1 . . 8.989 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 7 60 2 1 . . 2.189 . . 1 . 1 1 28 GLU HG3 . . . . . . . . . . 272 . 18729 7 60 2 2 . . 2.189 . . 1 . 1 1 28 GLU HG2 . . . . . . . . . . 273 . 18729 7 60 3 1 . . 125.091 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 7 61 1 1 . . 8.986 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 7 61 2 1 . . 1.924 . . 1 . 1 1 28 GLU HB3 . . . . . . . . . . 168 . 18729 7 61 2 2 . . 1.924 . . 1 . 1 1 28 GLU HB2 . . . . . . . . . . 169 . 18729 7 61 3 1 . . 125.118 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 7 62 1 1 . . 9.615 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 7 62 2 1 . . 5.268 . . 1 . 1 1 29 CYS HA . . . . . . . . . . 164 . 18729 7 62 3 1 . . 125.142 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 7 63 1 1 . . 8.694 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 7 63 2 1 . . 2.086 . . 1 . 1 1 30 ARG HB3 . . . . . . . . . . 163 . 18729 7 63 3 1 . . 115.800 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 7 64 1 1 . . 8.675 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 7 64 2 1 . . 1.789 . . 1 . 1 1 30 ARG HB2 . . . . . . . . . . 162 . 18729 7 64 3 1 . . 115.853 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 7 65 1 1 . . 8.694 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 7 65 2 2 . . 3.194 . . 1 . 1 1 30 ARG HD3 . . . . . . . . . . 275 . 18729 7 65 3 1 . . 115.746 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 7 66 1 1 . . 8.689 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 7 66 2 1 . . 4.765 . . 1 . 1 1 30 ARG HA . . . . . . . . . . 161 . 18729 7 66 3 1 . . 115.853 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 7 67 1 1 . . 8.413 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 7 67 2 1 . . 4.574 . . 1 . 1 1 31 ASN HA . . . . . . . . . . 158 . 18729 7 67 3 1 . . 114.576 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 7 68 1 1 . . 7.923 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 7 68 2 1 . . 4.431 . . 1 . 1 1 15 LYS HA . . . . . . . . . . 204 . 18729 7 68 3 1 . . 114.875 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 7 69 1 1 . . 7.920 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 7 69 2 1 . . 1.887 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 7 69 3 1 . . 114.952 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 7 70 1 1 . . 8.106 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 7 70 2 1 . . 0.726 . . 1 . 1 1 11 PRO HG3 . . . . . . . . . . 284 . 18729 7 70 3 1 . . 117.110 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 7 71 1 1 . . 8.106 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 7 71 2 1 . . 0.794 . . 1 . 1 1 11 PRO HG2 . . . . . . . . . . 285 . 18729 7 71 3 1 . . 117.110 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 7 72 1 1 . . 7.921 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 7 72 2 1 . . 1.518 . . 1 . 1 1 15 LYS HG3 . . . . . . . . . . 260 . 18729 7 72 3 1 . . 114.877 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 7 73 1 1 . . 8.356 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 7 73 2 1 . . 1.997 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 7 73 3 1 . . 106.149 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 7 74 1 1 . . 8.354 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 7 74 2 1 . . 1.851 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 7 74 3 1 . . 106.090 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 7 75 1 1 . . 8.737 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 7 75 2 1 . . 2.082 . . 1 . 1 1 13 PRO HG2 . . . . . . . . . . 253 . 18729 7 75 3 1 . . 119.920 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 7 76 1 1 . . 8.694 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 7 76 2 1 . . 3.258 . . 1 . 1 1 30 ARG HD2 . . . . . . . . . . 274 . 18729 7 76 3 1 . . 115.746 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 7 77 1 1 . . 8.360 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 7 77 2 2 . . 3.220 . . 1 . 1 1 26 ARG HD2 . . . . . . . . . . 270 . 18729 7 77 3 1 . . 106.079 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 7 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8 _Spectral_peak_list.Entry_ID 18729 _Spectral_peak_list.ID 8 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '3D C(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _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 . . H 1 1H . . 2968.75000000 . . . . . . . 18729 8 2 . . C 13 13C . . 10000.00000000 . . . . . . . 18729 8 3 . . N 15 15N . . 2129.24518258 . . . . . . . 18729 8 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 8 2 1.0 . . 18729 8 3 1.0 . . 18729 8 4 1.0 . . 18729 8 5 1.0 . . 18729 8 6 1.0 . . 18729 8 7 1.0 . . 18729 8 8 1.0 . . 18729 8 9 1.0 . . 18729 8 10 1.0 . . 18729 8 11 1.0 . . 18729 8 12 1.0 . . 18729 8 13 1.0 . . 18729 8 14 1.0 . . 18729 8 15 1.0 . . 18729 8 16 1.0 . . 18729 8 17 1.0 . . 18729 8 18 1.0 . . 18729 8 19 1.0 . . 18729 8 20 1.0 . . 18729 8 21 1.0 . . 18729 8 22 1.0 . . 18729 8 23 1.0 . . 18729 8 24 1.0 . . 18729 8 25 1.0 . . 18729 8 26 1.0 . . 18729 8 27 1.0 . . 18729 8 28 1.0 . . 18729 8 29 1.0 . . 18729 8 30 1.0 . . 18729 8 31 1.0 . . 18729 8 32 1.0 . . 18729 8 33 1.0 . . 18729 8 34 1.0 . . 18729 8 35 1.0 . . 18729 8 36 1.0 . . 18729 8 37 1.0 . . 18729 8 38 1.0 . . 18729 8 39 1.0 . . 18729 8 40 1.0 . . 18729 8 41 1.0 . . 18729 8 42 1.0 . . 18729 8 43 1.0 . . 18729 8 44 1.0 . . 18729 8 45 1.0 . . 18729 8 46 1.0 . . 18729 8 47 1.0 . . 18729 8 48 1.0 . . 18729 8 49 1.0 . . 18729 8 50 1.0 . . 18729 8 51 1.0 . . 18729 8 52 1.0 . . 18729 8 53 1.0 . . 18729 8 54 1.0 . . 18729 8 55 1.0 . . 18729 8 56 1.0 . . 18729 8 57 1.0 . . 18729 8 58 1.0 . . 18729 8 59 1.0 . . 18729 8 60 1.0 . . 18729 8 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 2472910.000 . height 18729 8 1 52473991.750 . volume 18729 8 2 5680181.000 . height 18729 8 2 122424861.500 . volume 18729 8 3 5137070.000 . height 18729 8 3 109973269.250 . volume 18729 8 4 1235443.375 . height 18729 8 4 27768074.000 . volume 18729 8 5 1154038.250 . height 18729 8 5 24724553.625 . volume 18729 8 6 778399.750 . height 18729 8 6 16609930.625 . volume 18729 8 7 3875748.000 . height 18729 8 7 82336880.500 . volume 18729 8 8 1886278.125 . height 18729 8 8 39486528.625 . volume 18729 8 9 5136749.500 . height 18729 8 9 109515077.750 . volume 18729 8 10 6844131.000 . height 18729 8 10 143500975.250 . volume 18729 8 11 6865402.000 . height 18729 8 11 145122896.000 . volume 18729 8 12 1174080.250 . height 18729 8 12 25656550.500 . volume 18729 8 13 3198323.500 . height 18729 8 13 68870783.000 . volume 18729 8 14 1297641.875 . height 18729 8 14 27743636.000 . volume 18729 8 15 514950.375 . height 18729 8 15 11311251.375 . volume 18729 8 16 370175.000 . height 18729 8 16 8073225.375 . volume 18729 8 17 425836.750 . height 18729 8 17 9234712.000 . volume 18729 8 18 833278.000 . height 18729 8 18 17692350.250 . volume 18729 8 19 712742.750 . height 18729 8 19 15388182.750 . volume 18729 8 20 1477458.625 . height 18729 8 20 31293488.875 . volume 18729 8 21 471819.250 . height 18729 8 21 9894938.500 . volume 18729 8 22 4285751.000 . height 18729 8 22 93117054.500 . volume 18729 8 23 1533975.625 . height 18729 8 23 33022835.125 . volume 18729 8 24 880304.125 . height 18729 8 24 18869421.250 . volume 18729 8 25 1179029.375 . height 18729 8 25 26114208.750 . volume 18729 8 26 607121.000 . height 18729 8 26 13829569.250 . volume 18729 8 27 524570.375 . height 18729 8 27 12109183.125 . volume 18729 8 28 486149.000 . height 18729 8 28 10960205.500 . volume 18729 8 29 1555495.125 . height 18729 8 29 34304197.125 . volume 18729 8 30 1027719.500 . height 18729 8 30 22766931.875 . volume 18729 8 31 685669.875 . height 18729 8 31 15383323.375 . volume 18729 8 32 5582626.500 . height 18729 8 32 116974724.250 . volume 18729 8 33 3583872.000 . height 18729 8 33 77509675.500 . volume 18729 8 34 829789.375 . height 18729 8 34 18311408.000 . volume 18729 8 35 2701427.500 . height 18729 8 35 58499131.125 . volume 18729 8 36 4135745.000 . height 18729 8 36 88516897.250 . volume 18729 8 37 3249992.750 . height 18729 8 37 70525733.000 . volume 18729 8 38 576059.625 . height 18729 8 38 12562421.625 . volume 18729 8 39 5103071.000 . height 18729 8 39 108987878.250 . volume 18729 8 40 404313.125 . height 18729 8 40 8781708.500 . volume 18729 8 41 481748.625 . height 18729 8 41 10852557.750 . volume 18729 8 42 3348159.500 . height 18729 8 42 72833529.750 . volume 18729 8 43 656450.750 . height 18729 8 43 14347707.250 . volume 18729 8 44 448861.500 . height 18729 8 44 9572101.000 . volume 18729 8 45 276584.625 . height 18729 8 45 5648591.125 . volume 18729 8 46 460966.375 . height 18729 8 46 10144022.875 . volume 18729 8 47 396643.000 . height 18729 8 47 8687495.375 . volume 18729 8 48 3665103.500 . height 18729 8 48 78106467.375 . volume 18729 8 49 209794.125 . height 18729 8 49 4592475.250 . volume 18729 8 50 2559709.750 . height 18729 8 50 55446876.625 . volume 18729 8 51 646656.375 . height 18729 8 51 14078896.750 . volume 18729 8 52 3992391.500 . height 18729 8 52 85754036.750 . volume 18729 8 53 913989.500 . height 18729 8 53 19688872.875 . volume 18729 8 54 846054.750 . height 18729 8 54 19081378.375 . volume 18729 8 55 2478264.750 . height 18729 8 55 54582093.000 . volume 18729 8 56 4856962.500 . height 18729 8 56 102995774.500 . volume 18729 8 57 439054.000 . height 18729 8 57 9425242.625 . volume 18729 8 58 2999949.000 . height 18729 8 58 64952372.750 . volume 18729 8 59 619900.750 . height 18729 8 59 13430165.750 . volume 18729 8 60 7223802.000 . height 18729 8 60 154102401.250 . volume 18729 8 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.268 . 25.2911448479 . . . . . . . . . . 1 18729 8 1 2 56.284 . 88.2998108864 . . . . . . . . . . 1 18729 8 1 3 118.122 . 35.3652956538 . . . . . . . . . . 1 18729 8 2 1 8.269 . 26.7605483532 . . . . . . . . . . 1 18729 8 2 2 36.367 . 87.7219438553 . . . . . . . . . . 1 18729 8 2 3 118.136 . 37.0550140410 . . . . . . . . . . 1 18729 8 3 1 8.817 . 27.1585583687 . . . . . . . . . . 1 18729 8 3 2 54.121 . 82.1733474731 . . . . . . . . . . 1 18729 8 3 3 121.945 . 38.2629075929 . . . . . . . . . . 1 18729 8 4 1 9.001 . 25.6783515215 . . . . . . . . . . 1 18729 8 4 2 32.390 . 143.7997817990 . . . . . . . . . . 1 18729 8 4 3 129.874 . 37.3971712268 . . . . . . . . . . 1 18729 8 5 1 9.004 . 25.3690779209 . . . . . . . . . . 1 18729 8 5 2 22.217 . 91.1706686020 . . . . . . . . . . 1 18729 8 5 3 129.838 . 36.9782000066 . . . . . . . . . . 1 18729 8 6 1 9.003 . 27.4807214737 . . . . . . . . . . 1 18729 8 6 2 64.103 . 79.9436867237 . . . . . . . . . . 1 18729 8 6 3 129.855 . 36.3731110145 . . . . . . . . . . 1 18729 8 7 1 8.714 . 27.3166596889 . . . . . . . . . . 1 18729 8 7 2 35.949 . 92.8455591202 . . . . . . . . . . 1 18729 8 7 3 119.306 . 34.7596038255 . . . . . . . . . . 1 18729 8 8 1 8.714 . 28.2390415668 . . . . . . . . . . 1 18729 8 8 2 56.148 . 89.6513462067 . . . . . . . . . . 1 18729 8 8 3 119.303 . 33.0040176418 . . . . . . . . . . 1 18729 8 9 1 9.574 . 28.1303375959 . . . . . . . . . . 1 18729 8 9 2 54.150 . 81.7108154297 . . . . . . . . . . 1 18729 8 9 3 113.162 . 37.4324530138 . . . . . . . . . . 1 18729 8 10 1 8.334 . 27.4559855461 . . . . . . . . . . 1 18729 8 10 2 44.770 . 79.2217254639 . . . . . . . . . . 1 18729 8 10 3 108.246 . 35.2755682316 . . . . . . . . . . 1 18729 8 11 1 8.440 . 25.6717205048 . . . . . . . . . . 1 18729 8 11 2 44.654 . 81.7364454269 . . . . . . . . . . 1 18729 8 11 3 120.638 . 36.7672390340 . . . . . . . . . . 1 18729 8 12 1 6.945 . 27.1254777908 . . . . . . . . . . 1 18729 8 12 2 58.502 . 102.6627421380 . . . . . . . . . . 1 18729 8 12 3 122.603 . 36.3927190580 . . . . . . . . . . 1 18729 8 13 1 6.945 . 27.6860594749 . . . . . . . . . . 1 18729 8 13 2 39.769 . 83.7653875351 . . . . . . . . . . 1 18729 8 13 3 122.585 . 38.3113248653 . . . . . . . . . . 1 18729 8 14 1 8.128 . 23.2799351215 . . . . . . . . . . 1 18729 8 14 2 49.619 . 95.5057144165 . . . . . . . . . . 1 18729 8 14 3 117.154 . 36.7487732067 . . . . . . . . . . 1 18729 8 15 1 8.129 . 26.5428423882 . . . . . . . . . . 1 18729 8 15 2 32.673 . 111.2061738970 . . . . . . . . . . 1 18729 8 15 3 117.092 . 37.7013814547 . . . . . . . . . . 1 18729 8 16 1 8.125 . 28.8522243500 . . . . . . . . . . 1 18729 8 16 2 60.817 . 101.2343168260 . . . . . . . . . . 1 18729 8 16 3 117.120 . 33.9706497655 . . . . . . . . . . 1 18729 8 17 1 8.126 . 24.6861577034 . . . . . . . . . . 1 18729 8 17 2 25.908 . 101.4828681950 . . . . . . . . . . 1 18729 8 17 3 117.206 . 40.5166903764 . . . . . . . . . . 1 18729 8 18 1 8.747 . 25.2664089203 . . . . . . . . . . 1 18729 8 18 2 32.022 . 97.1871614456 . . . . . . . . . . 1 18729 8 18 3 119.931 . 32.8557833714 . . . . . . . . . . 1 18729 8 19 1 8.742 . 29.8956036568 . . . . . . . . . . 1 18729 8 19 2 27.853 . 93.6764478683 . . . . . . . . . . 1 18729 8 19 3 119.947 . 33.5245509124 . . . . . . . . . . 1 18729 8 20 1 8.748 . 25.4908204079 . . . . . . . . . . 1 18729 8 20 2 51.640 . 89.2812013626 . . . . . . . . . . 1 18729 8 20 3 119.912 . 34.8948295233 . . . . . . . . . . 1 18729 8 21 1 8.748 . 24.9694287777 . . . . . . . . . . 1 18729 8 21 2 63.688 . 113.2467389110 . . . . . . . . . . 1 18729 8 21 3 119.900 . 31.6188902212 . . . . . . . . . . 1 18729 8 22 1 7.464 . 27.2116065025 . . . . . . . . . . 1 18729 8 22 2 36.695 . 91.9419527054 . . . . . . . . . . 1 18729 8 22 3 116.349 . 38.1380887531 . . . . . . . . . . 1 18729 8 23 1 7.464 . 26.8353521824 . . . . . . . . . . 1 18729 8 23 2 58.678 . 87.3136520386 . . . . . . . . . . 1 18729 8 23 3 116.350 . 36.5842940847 . . . . . . . . . . 1 18729 8 24 1 7.936 . 26.5637040138 . . . . . . . . . . 1 18729 8 24 2 57.193 . 92.4688577652 . . . . . . . . . . 1 18729 8 24 3 114.917 . 36.9765818671 . . . . . . . . . . 1 18729 8 25 1 7.936 . 25.7772207260 . . . . . . . . . . 1 18729 8 25 2 42.172 . 96.0952043533 . . . . . . . . . . 1 18729 8 25 3 114.944 . 41.2515160833 . . . . . . . . . . 1 18729 8 26 1 7.929 . 31.9695472717 . . . . . . . . . . 1 18729 8 26 2 34.294 . 133.1466436390 . . . . . . . . . . 1 18729 8 26 3 114.911 . 37.5474361037 . . . . . . . . . . 1 18729 8 27 1 7.938 . 28.8161635399 . . . . . . . . . . 1 18729 8 27 2 29.029 . 169.5030927660 . . . . . . . . . . 1 18729 8 27 3 114.902 . 38.1234937692 . . . . . . . . . . 1 18729 8 28 1 7.938 . 28.5132229328 . . . . . . . . . . 1 18729 8 28 2 25.453 . 119.2688941960 . . . . . . . . . . 1 18729 8 28 3 114.890 . 41.6144869851 . . . . . . . . . . 1 18729 8 29 1 7.669 . 26.5228748322 . . . . . . . . . . 1 18729 8 29 2 33.982 . 109.5908880230 . . . . . . . . . . 1 18729 8 29 3 109.289 . 37.7404706288 . . . . . . . . . . 1 18729 8 30 1 7.671 . 24.9467790127 . . . . . . . . . . 1 18729 8 30 2 32.901 . 120.1957464220 . . . . . . . . . . 1 18729 8 30 3 109.290 . 36.7442043422 . . . . . . . . . . 1 18729 8 31 1 7.669 . 29.4260680676 . . . . . . . . . . 1 18729 8 31 2 55.003 . 107.2734594350 . . . . . . . . . . 1 18729 8 31 3 109.298 . 38.6552588318 . . . . . . . . . . 1 18729 8 32 1 8.616 . 27.3276865482 . . . . . . . . . . 1 18729 8 32 2 44.453 . 79.6580314636 . . . . . . . . . . 1 18729 8 32 3 119.899 . 35.7452728847 . . . . . . . . . . 1 18729 8 33 1 8.230 . 27.6744365692 . . . . . . . . . . 1 18729 8 33 2 53.630 . 86.1984491348 . . . . . . . . . . 1 18729 8 33 3 126.931 . 38.0792011662 . . . . . . . . . . 1 18729 8 34 1 9.454 . 26.8351286650 . . . . . . . . . . 1 18729 8 34 2 55.512 . 119.6599006650 . . . . . . . . . . 1 18729 8 34 3 120.748 . 36.2804011391 . . . . . . . . . . 1 18729 8 35 1 9.454 . 26.1759757996 . . . . . . . . . . 1 18729 8 35 2 30.255 . 93.8153266907 . . . . . . . . . . 1 18729 8 35 3 120.744 . 37.5140580102 . . . . . . . . . . 1 18729 8 36 1 9.269 . 26.4595448971 . . . . . . . . . . 1 18729 8 36 2 55.298 . 82.2675228119 . . . . . . . . . . 1 18729 8 36 3 122.659 . 37.8128744398 . . . . . . . . . . 1 18729 8 37 1 8.888 . 28.4677743912 . . . . . . . . . . 1 18729 8 37 2 57.028 . 88.5576009750 . . . . . . . . . . 1 18729 8 37 3 109.415 . 36.7127299423 . . . . . . . . . . 1 18729 8 38 1 8.890 . 33.5037708282 . . . . . . . . . . 1 18729 8 38 2 38.952 . 108.8893413540 . . . . . . . . . . 1 18729 8 38 3 109.410 . 32.4311962552 . . . . . . . . . . 1 18729 8 39 1 9.157 . 27.5317579508 . . . . . . . . . . 1 18729 8 39 2 44.771 . 80.3053379059 . . . . . . . . . . 1 18729 8 39 3 125.393 . 38.1613772707 . . . . . . . . . . 1 18729 8 40 1 10.612 . 28.0541740358 . . . . . . . . . . 1 18729 8 40 2 54.236 . 105.9544086460 . . . . . . . . . . 1 18729 8 40 3 127.217 . 34.2110862598 . . . . . . . . . . 1 18729 8 41 1 10.624 . 30.1492586732 . . . . . . . . . . 1 18729 8 41 2 34.686 . 124.2029666900 . . . . . . . . . . 1 18729 8 41 3 127.205 . 38.6265130593 . . . . . . . . . . 1 18729 8 42 1 8.774 . 27.8092920780 . . . . . . . . . . 1 18729 8 42 2 56.736 . 94.2060351372 . . . . . . . . . . 1 18729 8 42 3 132.538 . 36.7804697041 . . . . . . . . . . 1 18729 8 43 1 9.283 . 28.1903147697 . . . . . . . . . . 1 18729 8 43 2 39.577 . 100.4225015640 . . . . . . . . . . 1 18729 8 43 3 128.927 . 36.0702651004 . . . . . . . . . . 1 18729 8 44 1 9.286 . 26.6718119383 . . . . . . . . . . 1 18729 8 44 2 60.212 . 84.1781497002 . . . . . . . . . . 1 18729 8 44 3 128.775 . 37.5346813569 . . . . . . . . . . 1 18729 8 45 1 9.284 . 20.9724903107 . . . . . . . . . . 1 18729 8 45 2 12.290 . 82.9969160259 . . . . . . . . . . 1 18729 8 45 3 128.890 . 35.3956595658 . . . . . . . . . . 1 18729 8 46 1 9.284 . 24.7285515070 . . . . . . . . . . 1 18729 8 46 2 17.267 . 121.0743188860 . . . . . . . . . . 1 18729 8 46 3 128.928 . 36.5183945600 . . . . . . . . . . 1 18729 8 47 1 8.375 . 30.9354066849 . . . . . . . . . . 1 18729 8 47 2 27.671 . 91.4281606674 . . . . . . . . . . 1 18729 8 47 3 106.125 . 36.6101843169 . . . . . . . . . . 1 18729 8 48 1 8.379 . 26.0333716869 . . . . . . . . . . 1 18729 8 48 2 43.434 . 85.8056545258 . . . . . . . . . . 1 18729 8 48 3 106.097 . 37.1302733923 . . . . . . . . . . 1 18729 8 49 1 8.379 . 23.5788524151 . . . . . . . . . . 1 18729 8 49 2 57.530 . 154.0383696560 . . . . . . . . . . 1 18729 8 49 3 106.117 . 33.0167723885 . . . . . . . . . . 1 18729 8 50 1 10.619 . 30.1189348102 . . . . . . . . . . 1 18729 8 50 2 43.690 . 89.6000862122 . . . . . . . . . . 1 18729 8 50 3 127.223 . 35.7120851606 . . . . . . . . . . 1 18729 8 51 1 7.879 . 26.2954831123 . . . . . . . . . . 1 18729 8 51 2 38.202 . 96.2430238724 . . . . . . . . . . 1 18729 8 51 3 121.269 . 37.5677421681 . . . . . . . . . . 1 18729 8 52 1 7.882 . 27.3735821247 . . . . . . . . . . 1 18729 8 52 2 57.333 . 87.7091288567 . . . . . . . . . . 1 18729 8 52 3 121.261 . 37.0302025685 . . . . . . . . . . 1 18729 8 53 1 9.001 . 24.3052840233 . . . . . . . . . . 1 18729 8 53 2 54.676 . 102.1921634670 . . . . . . . . . . 1 18729 8 53 3 125.144 . 35.2487261527 . . . . . . . . . . 1 18729 8 54 1 9.002 . 26.5856832266 . . . . . . . . . . 1 18729 8 54 2 34.020 . 116.9085502620 . . . . . . . . . . 1 18729 8 54 3 125.104 . 37.9643449892 . . . . . . . . . . 1 18729 8 55 1 9.000 . 24.3283808231 . . . . . . . . . . 1 18729 8 55 2 37.043 . 113.3173704150 . . . . . . . . . . 1 18729 8 55 3 125.130 . 38.2154421673 . . . . . . . . . . 1 18729 8 56 1 9.625 . 27.0340591669 . . . . . . . . . . 1 18729 8 56 2 53.452 . 82.8522443771 . . . . . . . . . . 1 18729 8 56 3 125.178 . 36.9261339883 . . . . . . . . . . 1 18729 8 57 1 8.704 . 23.3104825020 . . . . . . . . . . 1 18729 8 57 2 53.922 . 107.6811552050 . . . . . . . . . . 1 18729 8 57 3 115.762 . 33.8287611403 . . . . . . . . . . 1 18729 8 58 1 8.703 . 25.8022546768 . . . . . . . . . . 1 18729 8 58 2 43.343 . 90.0167226791 . . . . . . . . . . 1 18729 8 58 3 115.799 . 38.1855541787 . . . . . . . . . . 1 18729 8 59 1 8.702 . 26.3939797878 . . . . . . . . . . 1 18729 8 59 2 34.348 . 92.4623012543 . . . . . . . . . . 1 18729 8 59 3 115.835 . 38.2037027238 . . . . . . . . . . 1 18729 8 60 1 8.427 . 28.4445285797 . . . . . . . . . . 1 18729 8 60 2 54.749 . 83.8553905487 . . . . . . . . . . 1 18729 8 60 3 114.607 . 37.0060256606 . . . . . . . . . . 1 18729 8 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.268 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 8 1 2 1 . . 56.284 . . 1 . 1 1 2 GLU CA . . . . . . . . . . 153 . 18729 8 1 3 1 . . 118.122 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 8 2 1 1 . . 8.269 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 8 2 2 1 . . 36.367 . . 1 . 1 1 2 GLU CG . . . . . . . . . . 276 . 18729 8 2 3 1 . . 118.136 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 8 3 1 1 . . 8.817 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 8 3 2 1 . . 54.121 . . 1 . 1 1 3 CYS CA . . . . . . . . . . 111 . 18729 8 3 3 1 . . 121.945 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 8 4 1 1 . . 9.001 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 8 4 2 2 . . 32.390 . . 1 . 1 1 4 VAL CB . . . . . . . . . . 99 . 18729 8 4 3 1 . . 129.874 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 8 5 1 1 . . 9.004 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 8 5 2 1 . . 22.217 . . 1 . 1 1 4 VAL CG2 . . . . . . . . . . 277 . 18729 8 5 2 2 . . 22.217 . . 1 . 1 1 4 VAL CG1 . . . . . . . . . . 278 . 18729 8 5 3 1 . . 129.838 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 8 6 2 1 . . 64.103 . . 1 . 1 1 4 VAL CA . . . . . . . . . . 98 . 18729 8 7 1 1 . . 8.714 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 8 7 2 1 . . 35.949 . . 1 . 1 1 5 GLU CG . . . . . . . . . . 279 . 18729 8 7 3 1 . . 119.306 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 8 8 1 1 . . 8.714 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 8 8 2 1 . . 56.148 . . 1 . 1 1 5 GLU CA . . . . . . . . . . 96 . 18729 8 8 3 1 . . 119.303 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 8 9 1 1 . . 9.574 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 8 9 2 1 . . 54.150 . . 1 . 1 1 6 ASN CA . . . . . . . . . . 69 . 18729 8 9 3 1 . . 113.162 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 8 10 1 1 . . 8.334 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 8 10 2 1 . . 44.770 . . 1 . 1 1 7 GLY CA . . . . . . . . . . 95 . 18729 8 10 3 1 . . 108.246 . . 1 . 1 1 8 GLY N . . . . . . . . . . 29 . 18729 8 11 1 1 . . 8.440 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 8 11 2 1 . . 44.654 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 110 . 18729 8 11 3 1 . . 120.638 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 8 12 1 1 . . 6.945 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 8 12 2 1 . . 58.502 . . 1 . 1 1 9 PHE CA . . . . . . . . . . 106 . 18729 8 12 3 1 . . 122.603 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 8 13 1 1 . . 6.945 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 8 13 2 1 . . 39.769 . . 1 . 1 1 9 PHE CB . . . . . . . . . . 107 . 18729 8 13 3 1 . . 122.585 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 8 14 1 1 . . 8.128 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 8 14 2 1 . . 49.619 . . 1 . 1 1 11 PRO CD . . . . . . . . . . 280 . 18729 8 14 3 1 . . 117.154 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 8 15 1 1 . . 8.129 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 8 15 2 1 . . 32.673 . . 1 . 1 1 11 PRO CB . . . . . . . . . . 121 . 18729 8 15 3 1 . . 117.092 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 8 16 1 1 . . 8.125 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 8 16 2 1 . . 60.817 . . 1 . 1 1 11 PRO CA . . . . . . . . . . 120 . 18729 8 16 3 1 . . 117.120 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 8 17 1 1 . . 8.126 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 8 17 2 1 . . 25.908 . . 1 . 1 1 11 PRO CG . . . . . . . . . . 283 . 18729 8 17 3 1 . . 117.206 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 8 18 1 1 . . 8.747 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 8 18 2 1 . . 32.022 . . 1 . 1 1 13 PRO CB . . . . . . . . . . 117 . 18729 8 18 3 1 . . 119.931 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 8 19 1 1 . . 8.742 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 8 19 2 1 . . 27.853 . . 1 . 1 1 13 PRO CG . . . . . . . . . . 286 . 18729 8 19 3 1 . . 119.947 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 8 20 1 1 . . 8.748 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 8 20 2 1 . . 51.640 . . 1 . 1 1 13 PRO CD . . . . . . . . . . 287 . 18729 8 20 3 1 . . 119.912 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 8 21 1 1 . . 8.748 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 8 21 2 1 . . 63.688 . . 1 . 1 1 13 PRO CA . . . . . . . . . . 116 . 18729 8 21 3 1 . . 119.900 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 8 22 1 1 . . 7.464 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 8 22 2 1 . . 36.695 . . 1 . 1 1 14 GLU CG . . . . . . . . . . 288 . 18729 8 22 3 1 . . 116.349 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 8 23 1 1 . . 7.464 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 8 23 2 1 . . 58.678 . . 1 . 1 1 14 GLU CA . . . . . . . . . . 115 . 18729 8 23 3 1 . . 116.350 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 8 24 1 1 . . 7.936 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 8 24 2 1 . . 57.193 . . 1 . 1 1 15 LYS CA . . . . . . . . . . 113 . 18729 8 24 3 1 . . 114.917 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 8 25 1 1 . . 7.936 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 8 25 2 1 . . 42.172 . . 1 . 1 1 15 LYS CE . . . . . . . . . . 289 . 18729 8 25 3 1 . . 114.944 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 8 26 1 1 . . 7.929 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 8 26 2 1 . . 34.294 . . 1 . 1 1 15 LYS CB . . . . . . . . . . 140 . 18729 8 26 3 1 . . 114.911 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 8 27 1 1 . . 7.938 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 8 27 2 1 . . 29.029 . . 1 . 1 1 15 LYS CD . . . . . . . . . . 290 . 18729 8 27 3 1 . . 114.902 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 8 28 1 1 . . 7.938 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 8 28 2 1 . . 25.453 . . 1 . 1 1 15 LYS CG . . . . . . . . . . 291 . 18729 8 28 3 1 . . 114.890 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 8 29 1 1 . . 7.669 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 8 29 2 1 . . 33.982 . . 1 . 1 1 16 MET CB . . . . . . . . . . 82 . 18729 8 29 3 1 . . 109.289 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 8 30 1 1 . . 7.671 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 8 30 2 1 . . 32.901 . . 1 . 1 1 16 MET CG . . . . . . . . . . 292 . 18729 8 30 3 1 . . 109.290 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 8 31 1 1 . . 7.669 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 8 31 2 1 . . 55.003 . . 1 . 1 1 16 MET CA . . . . . . . . . . 83 . 18729 8 31 3 1 . . 109.298 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 8 32 1 1 . . 8.616 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 8 32 2 1 . . 44.453 . . 1 . 1 1 17 GLY CA . . . . . . . . . . 81 . 18729 8 32 3 1 . . 119.899 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 8 33 1 1 . . 8.230 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 8 33 2 1 . . 53.630 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 80 . 18729 8 33 3 1 . . 126.931 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 8 34 1 1 . . 9.454 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 8 34 2 1 . . 55.512 . . 1 . 1 1 19 TRP CA . . . . . . . . . . 77 . 18729 8 34 3 1 . . 120.748 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 8 35 1 1 . . 9.454 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 8 35 2 1 . . 30.255 . . 1 . 1 1 19 TRP CB . . . . . . . . . . 78 . 18729 8 35 3 1 . . 120.744 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 8 36 1 1 . . 9.269 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 8 36 2 1 . . 55.298 . . 1 . 1 1 20 CYS CA . . . . . . . . . . 75 . 18729 8 36 3 1 . . 122.659 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 8 37 1 1 . . 8.888 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 8 37 2 1 . . 57.028 . . 1 . 1 1 21 CYS CA . . . . . . . . . . 74 . 18729 8 37 3 1 . . 109.415 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 8 38 1 1 . . 8.890 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 8 38 2 1 . . 38.952 . . 1 . 1 1 21 CYS CB . . . . . . . . . . 73 . 18729 8 38 3 1 . . 109.410 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 8 39 1 1 . . 9.157 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 8 39 2 1 . . 44.771 . . 1 . 1 1 22 GLY CA . . . . . . . . . . 72 . 18729 8 39 3 1 . . 125.393 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 8 40 1 1 . . 10.612 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 8 40 2 1 . . 54.236 . . 1 . 1 1 23 ARG CA . . . . . . . . . . 102 . 18729 8 40 3 1 . . 127.217 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 8 41 1 1 . . 10.624 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 8 41 2 1 . . 34.686 . . 1 . 1 1 23 ARG CB . . . . . . . . . . 101 . 18729 8 41 3 1 . . 127.205 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 8 42 1 1 . . 8.774 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 8 42 2 1 . . 56.736 . . 1 . 1 1 24 CYS CA . . . . . . . . . . 100 . 18729 8 42 3 1 . . 132.538 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 8 43 1 1 . . 9.283 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 8 43 2 1 . . 39.577 . . 1 . 1 1 25 ILE CB . . . . . . . . . . 104 . 18729 8 43 3 1 . . 128.927 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 8 44 1 1 . . 9.286 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 8 44 2 1 . . 60.212 . . 1 . 1 1 25 ILE CA . . . . . . . . . . 105 . 18729 8 44 3 1 . . 128.775 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 8 45 1 1 . . 9.284 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 8 45 2 1 . . 12.290 . . 1 . 1 1 25 ILE CD1 . . . . . . . . . . 293 . 18729 8 45 3 1 . . 128.890 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 8 46 1 1 . . 9.284 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 8 46 2 1 . . 17.267 . . 1 . 1 1 25 ILE CG2 . . . . . . . . . . 294 . 18729 8 46 3 1 . . 128.928 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 8 47 1 1 . . 8.375 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 8 47 2 1 . . 27.671 . . 1 . 1 1 26 ARG CB . . . . . . . . . . 94 . 18729 8 47 3 1 . . 106.125 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 8 48 1 1 . . 8.379 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 8 48 2 1 . . 43.434 . . 1 . 1 1 26 ARG CD . . . . . . . . . . 295 . 18729 8 48 3 1 . . 106.097 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 8 49 1 1 . . 8.379 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 8 49 2 1 . . 57.530 . . 1 . 1 1 26 ARG CA . . . . . . . . . . 93 . 18729 8 49 3 1 . . 106.117 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 8 50 1 1 . . 10.619 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 8 50 2 1 . . 43.690 . . 1 . 1 1 23 ARG CD . . . . . . . . . . 297 . 18729 8 50 3 1 . . 127.223 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 8 51 1 1 . . 7.879 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 8 51 2 1 . . 38.202 . . 1 . 1 1 27 ASN CB . . . . . . . . . . 92 . 18729 8 51 3 1 . . 121.269 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 8 52 1 1 . . 7.882 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 8 52 2 1 . . 57.333 . . 1 . 1 1 27 ASN CA . . . . . . . . . . 91 . 18729 8 52 3 1 . . 121.261 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 8 53 1 1 . . 9.001 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 8 53 2 2 . . 54.676 . . 1 . 1 1 28 GLU CA . . . . . . . . . . 89 . 18729 8 53 3 1 . . 125.144 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 8 54 1 1 . . 9.002 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 8 54 2 1 . . 34.020 . . 1 . 1 1 28 GLU CB . . . . . . . . . . 90 . 18729 8 54 3 1 . . 125.104 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 8 55 1 1 . . 9.000 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 8 55 2 1 . . 37.043 . . 1 . 1 1 28 GLU CG . . . . . . . . . . 298 . 18729 8 55 3 1 . . 125.130 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 8 56 1 1 . . 9.625 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 8 56 2 1 . . 53.452 . . 1 . 1 1 29 CYS CA . . . . . . . . . . 88 . 18729 8 56 3 1 . . 125.178 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 8 57 1 1 . . 8.704 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 8 57 2 1 . . 53.922 . . 1 . 1 1 30 ARG CA . . . . . . . . . . 86 . 18729 8 57 3 1 . . 115.762 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 8 58 1 1 . . 8.703 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 8 58 2 1 . . 43.343 . . 1 . 1 1 30 ARG CD . . . . . . . . . . 299 . 18729 8 58 3 1 . . 115.799 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 8 59 1 1 . . 8.702 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 8 59 2 1 . . 34.348 . . 1 . 1 1 30 ARG CB . . . . . . . . . . 85 . 18729 8 59 3 1 . . 115.835 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 8 60 1 1 . . 8.427 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 8 60 2 1 . . 54.749 . . 1 . 1 1 31 ASN CA . . . . . . . . . . 68 . 18729 8 60 3 1 . . 114.607 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 8 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9 _Spectral_peak_list.Entry_ID 18729 _Spectral_peak_list.ID 9 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' _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 . . H 1 1H . . 10000.00000000 . . . . . . . 18729 9 2 . . H 1 1H . . 8333.33333333 . . . . . . . 18729 9 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 9 2 1.0 . . 18729 9 3 1.0 . . 18729 9 4 1.0 . . 18729 9 5 1.0 . . 18729 9 6 1.0 . . 18729 9 7 1.0 . . 18729 9 8 1.0 . . 18729 9 9 1.0 . . 18729 9 10 1.0 . . 18729 9 11 1.0 . . 18729 9 12 1.0 . . 18729 9 13 1.0 . . 18729 9 14 1.0 . . 18729 9 15 1.0 . . 18729 9 16 1.0 . . 18729 9 17 1.0 . . 18729 9 18 1.0 . . 18729 9 19 1.0 . . 18729 9 20 1.0 . . 18729 9 21 1.0 . . 18729 9 22 1.0 . . 18729 9 23 1.0 . . 18729 9 24 1.0 . . 18729 9 25 1.0 . . 18729 9 26 1.0 . . 18729 9 27 1.0 . . 18729 9 28 1.0 . . 18729 9 29 1.0 . . 18729 9 30 1.0 . . 18729 9 31 1.0 . . 18729 9 32 1.0 . . 18729 9 33 1.0 . . 18729 9 34 1.0 . . 18729 9 35 1.0 . . 18729 9 36 1.0 . . 18729 9 37 1.0 . . 18729 9 38 1.0 . . 18729 9 39 1.0 . . 18729 9 40 1.0 . . 18729 9 41 1.0 . . 18729 9 42 1.0 . . 18729 9 43 1.0 . . 18729 9 44 1.0 . . 18729 9 45 1.0 . . 18729 9 46 1.0 . . 18729 9 47 1.0 . . 18729 9 48 1.0 . . 18729 9 49 1.0 . . 18729 9 50 1.0 . . 18729 9 51 1.0 . . 18729 9 52 1.0 . . 18729 9 53 1.0 . . 18729 9 54 1.0 . . 18729 9 55 1.0 . . 18729 9 56 1.0 . . 18729 9 57 1.0 . . 18729 9 58 1.0 . . 18729 9 59 1.0 . . 18729 9 60 1.0 . . 18729 9 61 1.0 . . 18729 9 62 1.0 . . 18729 9 63 1.0 . . 18729 9 64 1.0 . . 18729 9 65 1.0 . . 18729 9 66 1.0 . . 18729 9 67 1.0 . . 18729 9 68 1.0 . . 18729 9 69 1.0 . . 18729 9 70 1.0 . . 18729 9 71 1.0 . . 18729 9 72 1.0 . . 18729 9 73 1.0 . . 18729 9 74 1.0 . . 18729 9 75 1.0 . . 18729 9 76 1.0 . . 18729 9 77 1.0 . . 18729 9 78 1.0 . . 18729 9 79 1.0 . . 18729 9 80 1.0 . . 18729 9 81 1.0 . . 18729 9 82 1.0 . . 18729 9 83 1.0 . . 18729 9 84 1.0 . . 18729 9 85 1.0 . . 18729 9 86 1.0 . . 18729 9 87 1.0 . . 18729 9 88 1.0 . . 18729 9 89 1.0 . . 18729 9 90 1.0 . . 18729 9 91 1.0 . . 18729 9 92 1.0 . . 18729 9 93 1.0 . . 18729 9 94 1.0 . . 18729 9 95 1.0 . . 18729 9 96 1.0 . . 18729 9 97 1.0 . . 18729 9 98 1.0 . . 18729 9 99 1.0 . . 18729 9 100 1.0 . . 18729 9 101 1.0 . . 18729 9 102 1.0 . . 18729 9 103 1.0 . . 18729 9 104 1.0 . . 18729 9 105 1.0 . . 18729 9 106 1.0 . . 18729 9 107 1.0 . . 18729 9 108 1.0 . . 18729 9 109 1.0 . . 18729 9 110 1.0 . . 18729 9 111 1.0 . . 18729 9 112 1.0 . . 18729 9 113 1.0 . . 18729 9 114 1.0 . . 18729 9 115 1.0 . . 18729 9 116 1.0 . . 18729 9 117 1.0 . . 18729 9 118 1.0 . . 18729 9 119 1.0 . . 18729 9 120 1.0 . . 18729 9 121 1.0 . . 18729 9 122 1.0 . . 18729 9 123 1.0 . . 18729 9 124 1.0 . . 18729 9 125 1.0 . . 18729 9 126 1.0 . . 18729 9 127 1.0 . . 18729 9 128 1.0 . . 18729 9 129 1.0 . . 18729 9 130 1.0 . . 18729 9 131 1.0 . . 18729 9 132 1.0 . . 18729 9 133 1.0 . . 18729 9 134 1.0 . . 18729 9 135 1.0 . . 18729 9 136 1.0 . . 18729 9 137 1.0 . . 18729 9 138 1.0 . . 18729 9 139 1.0 . . 18729 9 140 1.0 . . 18729 9 141 1.0 . . 18729 9 142 1.0 . . 18729 9 143 1.0 . . 18729 9 144 1.0 . . 18729 9 145 1.0 . . 18729 9 146 1.0 . . 18729 9 147 1.0 . . 18729 9 148 1.0 . . 18729 9 149 1.0 . . 18729 9 150 1.0 . . 18729 9 151 1.0 . . 18729 9 152 1.0 . . 18729 9 153 1.0 . . 18729 9 154 1.0 . . 18729 9 155 1.0 . . 18729 9 156 1.0 . . 18729 9 157 1.0 . . 18729 9 158 1.0 . . 18729 9 159 1.0 . . 18729 9 160 1.0 . . 18729 9 161 1.0 . . 18729 9 162 1.0 . . 18729 9 163 1.0 . . 18729 9 164 1.0 . . 18729 9 165 1.0 . . 18729 9 166 1.0 . . 18729 9 167 1.0 . . 18729 9 168 1.0 . . 18729 9 169 1.0 . . 18729 9 170 1.0 . . 18729 9 171 1.0 . . 18729 9 172 1.0 . . 18729 9 173 1.0 . . 18729 9 174 1.0 . . 18729 9 175 1.0 . . 18729 9 176 1.0 . . 18729 9 177 1.0 . . 18729 9 178 1.0 . . 18729 9 179 1.0 . . 18729 9 180 1.0 . . 18729 9 181 1.0 . . 18729 9 182 1.0 . . 18729 9 183 1.0 . . 18729 9 184 1.0 . . 18729 9 185 1.0 . . 18729 9 186 1.0 . . 18729 9 187 1.0 . . 18729 9 188 1.0 . . 18729 9 189 1.0 . . 18729 9 190 1.0 . . 18729 9 191 1.0 . . 18729 9 192 1.0 . . 18729 9 193 1.0 . . 18729 9 194 1.0 . . 18729 9 195 1.0 . . 18729 9 196 1.0 . . 18729 9 197 1.0 . . 18729 9 198 1.0 . . 18729 9 199 1.0 . . 18729 9 200 1.0 . . 18729 9 201 1.0 . . 18729 9 202 1.0 . . 18729 9 203 1.0 . . 18729 9 204 1.0 . . 18729 9 205 1.0 . . 18729 9 206 1.0 . . 18729 9 207 1.0 . . 18729 9 208 1.0 . . 18729 9 209 1.0 . . 18729 9 210 1.0 . . 18729 9 211 1.0 . . 18729 9 212 1.0 . . 18729 9 213 1.0 . . 18729 9 214 1.0 . . 18729 9 215 1.0 . . 18729 9 216 1.0 . . 18729 9 217 1.0 . . 18729 9 218 1.0 . . 18729 9 219 1.0 . . 18729 9 220 1.0 . . 18729 9 221 1.0 . . 18729 9 222 1.0 . . 18729 9 223 1.0 . . 18729 9 224 1.0 . . 18729 9 225 1.0 . . 18729 9 226 1.0 . . 18729 9 227 1.0 . . 18729 9 228 1.0 . . 18729 9 229 1.0 . . 18729 9 230 1.0 . . 18729 9 231 1.0 . . 18729 9 232 1.0 . . 18729 9 233 1.0 . . 18729 9 234 1.0 . . 18729 9 235 1.0 . . 18729 9 236 1.0 . . 18729 9 237 1.0 . . 18729 9 238 1.0 . . 18729 9 239 1.0 . . 18729 9 240 1.0 . . 18729 9 241 1.0 . . 18729 9 242 1.0 . . 18729 9 243 1.0 . . 18729 9 244 1.0 . . 18729 9 245 1.0 . . 18729 9 246 1.0 . . 18729 9 247 1.0 . . 18729 9 248 1.0 . . 18729 9 249 1.0 . . 18729 9 250 1.0 . . 18729 9 251 1.0 . . 18729 9 252 1.0 . . 18729 9 253 1.0 . . 18729 9 254 1.0 . . 18729 9 255 1.0 . . 18729 9 256 1.0 . . 18729 9 257 1.0 . . 18729 9 258 1.0 . . 18729 9 259 1.0 . . 18729 9 260 1.0 . . 18729 9 261 1.0 . . 18729 9 262 1.0 . . 18729 9 263 1.0 . . 18729 9 264 1.0 . . 18729 9 265 1.0 . . 18729 9 266 1.0 . . 18729 9 267 1.0 . . 18729 9 268 1.0 . . 18729 9 269 1.0 . . 18729 9 270 1.0 . . 18729 9 271 1.0 . . 18729 9 272 1.0 . . 18729 9 273 1.0 . . 18729 9 274 1.0 . . 18729 9 275 1.0 . . 18729 9 276 1.0 . . 18729 9 277 1.0 . . 18729 9 278 1.0 . . 18729 9 279 1.0 . . 18729 9 280 1.0 . . 18729 9 281 1.0 . . 18729 9 282 1.0 . . 18729 9 283 1.0 . . 18729 9 284 1.0 . . 18729 9 285 1.0 . . 18729 9 286 1.0 . . 18729 9 287 1.0 . . 18729 9 288 1.0 . . 18729 9 289 1.0 . . 18729 9 290 1.0 . . 18729 9 291 1.0 . . 18729 9 292 1.0 . . 18729 9 293 1.0 . . 18729 9 294 1.0 . . 18729 9 295 1.0 . . 18729 9 296 1.0 . . 18729 9 297 1.0 . . 18729 9 298 1.0 . . 18729 9 299 1.0 . . 18729 9 300 1.0 . . 18729 9 301 1.0 . . 18729 9 302 1.0 . . 18729 9 303 1.0 . . 18729 9 304 1.0 . . 18729 9 305 1.0 . . 18729 9 306 1.0 . . 18729 9 307 1.0 . . 18729 9 308 1.0 . . 18729 9 309 1.0 . . 18729 9 310 1.0 . . 18729 9 311 1.0 . . 18729 9 312 1.0 . . 18729 9 313 1.0 . . 18729 9 314 1.0 . . 18729 9 315 1.0 . . 18729 9 316 1.0 . . 18729 9 317 1.0 . . 18729 9 318 1.0 . . 18729 9 319 1.0 . . 18729 9 320 1.0 . . 18729 9 321 1.0 . . 18729 9 322 1.0 . . 18729 9 323 1.0 . . 18729 9 324 1.0 . . 18729 9 325 1.0 . . 18729 9 326 1.0 . . 18729 9 327 1.0 . . 18729 9 328 1.0 . . 18729 9 329 1.0 . . 18729 9 330 1.0 . . 18729 9 331 1.0 . . 18729 9 332 1.0 . . 18729 9 333 1.0 . . 18729 9 334 1.0 . . 18729 9 335 1.0 . . 18729 9 336 1.0 . . 18729 9 337 1.0 . . 18729 9 338 1.0 . . 18729 9 339 1.0 . . 18729 9 340 1.0 . . 18729 9 341 1.0 . . 18729 9 342 1.0 . . 18729 9 343 1.0 . . 18729 9 344 1.0 . . 18729 9 345 1.0 . . 18729 9 346 1.0 . . 18729 9 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 471268.0 . height 18729 9 1 3704556.0 . volume 18729 9 2 403244.0 . height 18729 9 2 3033296.0 . volume 18729 9 3 287908.0 . height 18729 9 3 2276552.0 . volume 18729 9 4 223992.0 . height 18729 9 4 1832956.0 . volume 18729 9 5 352204.0 . height 18729 9 5 2968276.0 . volume 18729 9 6 235340.0 . height 18729 9 6 1103072.0 . volume 18729 9 7 317796.0 . height 18729 9 7 2501528.0 . volume 18729 9 8 290432.0 . height 18729 9 8 2265412.0 . volume 18729 9 9 1626548.0 . height 18729 9 9 12913992.0 . volume 18729 9 10 229372.0 . height 18729 9 10 1797320.0 . volume 18729 9 11 326104.0 . height 18729 9 11 2381568.0 . volume 18729 9 12 198572.0 . height 18729 9 12 1048724.0 . volume 18729 9 13 1362244.0 . height 18729 9 13 10755516.0 . volume 18729 9 14 1176556.0 . height 18729 9 14 9571060.0 . volume 18729 9 15 516120.0 . height 18729 9 15 4200332.0 . volume 18729 9 16 698816.0 . height 18729 9 16 5962872.0 . volume 18729 9 17 664908.0 . height 18729 9 17 5697572.0 . volume 18729 9 18 208660.0 . height 18729 9 18 1759156.0 . volume 18729 9 19 313856.0 . height 18729 9 19 2466748.0 . volume 18729 9 20 181524.0 . height 18729 9 20 1466464.0 . volume 18729 9 21 225400.0 . height 18729 9 21 1861400.0 . volume 18729 9 22 277364.0 . height 18729 9 22 2301092.0 . volume 18729 9 23 599132.0 . height 18729 9 23 4649928.0 . volume 18729 9 24 218864.0 . height 18729 9 24 1784452.0 . volume 18729 9 25 273300.0 . height 18729 9 25 2119960.0 . volume 18729 9 26 223424.0 . height 18729 9 26 1739720.0 . volume 18729 9 27 550428.0 . height 18729 9 27 4482788.0 . volume 18729 9 28 379592.0 . height 18729 9 28 3118168.0 . volume 18729 9 29 267404.0 . height 18729 9 29 2243792.0 . volume 18729 9 30 292276.0 . height 18729 9 30 2409364.0 . volume 18729 9 31 310480.0 . height 18729 9 31 2571928.0 . volume 18729 9 32 318060.0 . height 18729 9 32 2622680.0 . volume 18729 9 33 418136.0 . height 18729 9 33 3248112.0 . volume 18729 9 34 347768.0 . height 18729 9 34 2709268.0 . volume 18729 9 35 234988.0 . height 18729 9 35 1880064.0 . volume 18729 9 36 191776.0 . height 18729 9 36 1632356.0 . volume 18729 9 37 219744.0 . height 18729 9 37 1791628.0 . volume 18729 9 38 202272.0 . height 18729 9 38 1585404.0 . volume 18729 9 39 198780.0 . height 18729 9 39 1580540.0 . volume 18729 9 40 158432.0 . height 18729 9 40 1338628.0 . volume 18729 9 41 201220.0 . height 18729 9 41 1640584.0 . volume 18729 9 42 160724.0 . height 18729 9 42 1285108.0 . volume 18729 9 43 165280.0 . height 18729 9 43 1289236.0 . volume 18729 9 44 401380.0 . height 18729 9 44 3373032.0 . volume 18729 9 45 489324.0 . height 18729 9 45 4150680.0 . volume 18729 9 46 298408.0 . height 18729 9 46 2521504.0 . volume 18729 9 47 1444476.0 . height 18729 9 47 12395272.0 . volume 18729 9 48 645836.0 . height 18729 9 48 5547760.0 . volume 18729 9 49 503964.0 . height 18729 9 49 4263832.0 . volume 18729 9 50 1152112.0 . height 18729 9 50 10354560.0 . volume 18729 9 51 1298296.0 . height 18729 9 51 11469480.0 . volume 18729 9 52 600364.0 . height 18729 9 52 5457340.0 . volume 18729 9 53 688900.0 . height 18729 9 53 6182256.0 . volume 18729 9 54 643224.0 . height 18729 9 54 5226852.0 . volume 18729 9 55 407292.0 . height 18729 9 55 3309000.0 . volume 18729 9 56 249796.0 . height 18729 9 56 1998208.0 . volume 18729 9 57 291780.0 . height 18729 9 57 2225108.0 . volume 18729 9 58 1148488.0 . height 18729 9 58 9525472.0 . volume 18729 9 59 309208.0 . height 18729 9 59 2405332.0 . volume 18729 9 60 144404.0 . height 18729 9 60 1017596.0 . volume 18729 9 61 173588.0 . height 18729 9 61 1131092.0 . volume 18729 9 62 1737060.0 . height 18729 9 62 15000328.0 . volume 18729 9 63 1250368.0 . height 18729 9 63 10709112.0 . volume 18729 9 64 216800.0 . height 18729 9 64 1721092.0 . volume 18729 9 65 2188604.0 . height 18729 9 65 17884460.0 . volume 18729 9 66 20451036.0 . height 18729 9 66 171590332.0 . volume 18729 9 67 48497164.0 . height 18729 9 67 406136032.0 . volume 18729 9 68 318824.0 . height 18729 9 68 2442416.0 . volume 18729 9 69 264448.0 . height 18729 9 69 2155660.0 . volume 18729 9 70 324056.0 . height 18729 9 70 2552844.0 . volume 18729 9 71 348184.0 . height 18729 9 71 2717512.0 . volume 18729 9 72 190904.0 . height 18729 9 72 1389348.0 . volume 18729 9 73 160764.0 . height 18729 9 73 1143252.0 . volume 18729 9 74 546384.0 . height 18729 9 74 4476264.0 . volume 18729 9 75 355232.0 . height 18729 9 75 2890628.0 . volume 18729 9 76 800364.0 . height 18729 9 76 6618392.0 . volume 18729 9 77 514088.0 . height 18729 9 77 4511928.0 . volume 18729 9 78 564504.0 . height 18729 9 78 5234108.0 . volume 18729 9 79 725784.0 . height 18729 9 79 6597268.0 . volume 18729 9 80 1579312.0 . height 18729 9 80 13835408.0 . volume 18729 9 81 260036.0 . height 18729 9 81 2527864.0 . volume 18729 9 82 255016.0 . height 18729 9 82 2386444.0 . volume 18729 9 83 276380.0 . height 18729 9 83 3005376.0 . volume 18729 9 84 144248.0 . height 18729 9 84 1155996.0 . volume 18729 9 85 153296.0 . height 18729 9 85 1214872.0 . volume 18729 9 86 95280.0 . height 18729 9 86 791384.0 . volume 18729 9 87 147624.0 . height 18729 9 87 1151504.0 . volume 18729 9 88 295960.0 . height 18729 9 88 2334292.0 . volume 18729 9 89 184272.0 . height 18729 9 89 1523152.0 . volume 18729 9 90 455768.0 . height 18729 9 90 3709576.0 . volume 18729 9 91 349276.0 . height 18729 9 91 2906676.0 . volume 18729 9 92 621644.0 . height 18729 9 92 5187148.0 . volume 18729 9 93 869260.0 . height 18729 9 93 7360764.0 . volume 18729 9 94 293624.0 . height 18729 9 94 2409132.0 . volume 18729 9 95 277856.0 . height 18729 9 95 2205260.0 . volume 18729 9 96 181932.0 . height 18729 9 96 1421220.0 . volume 18729 9 97 233304.0 . height 18729 9 97 1855556.0 . volume 18729 9 98 226824.0 . height 18729 9 98 1923020.0 . volume 18729 9 99 212356.0 . height 18729 9 99 1695080.0 . volume 18729 9 100 747280.0 . height 18729 9 100 6091996.0 . volume 18729 9 101 197620.0 . height 18729 9 101 1721904.0 . volume 18729 9 102 171876.0 . height 18729 9 102 1342544.0 . volume 18729 9 103 150120.0 . height 18729 9 103 1162716.0 . volume 18729 9 104 167924.0 . height 18729 9 104 1274368.0 . volume 18729 9 105 337108.0 . height 18729 9 105 3046116.0 . volume 18729 9 106 145584.0 . height 18729 9 106 1533952.0 . volume 18729 9 107 258064.0 . height 18729 9 107 2124644.0 . volume 18729 9 108 147644.0 . height 18729 9 108 1160844.0 . volume 18729 9 109 219580.0 . height 18729 9 109 1683936.0 . volume 18729 9 110 174788.0 . height 18729 9 110 1457700.0 . volume 18729 9 111 212828.0 . height 18729 9 111 1644532.0 . volume 18729 9 112 227448.0 . height 18729 9 112 1740288.0 . volume 18729 9 113 233364.0 . height 18729 9 113 1882276.0 . volume 18729 9 114 170436.0 . height 18729 9 114 1297708.0 . volume 18729 9 115 518884.0 . height 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307.26552009600 . . . . . . . . . . 1 18729 9 60 2 8.259 . 13.81809512770 . . . . . . . . . . 1 18729 9 61 1 0.969 . 12.48359680180 . . . . . . . . . . 1 18729 9 61 2 8.809 . 10.65929730730 . . . . . . . . . . 1 18729 9 62 1 0.972 . 24.87003803250 . . . . . . . . . . 1 18729 9 62 2 2.160 . 48.85544379550 . . . . . . . . . . 1 18729 9 63 1 2.140 . 48.62785339360 . . . . . . . . . . 1 18729 9 63 2 0.980 . 25.88480710980 . . . . . . . . . . 1 18729 9 64 1 2.140 . 31.05401992800 . . . . . . . . . . 1 18729 9 64 2 1.193 . 15.52899678550 . . . . . . . . . . 1 18729 9 65 1 0.973 . 24.68466758730 . . . . . . . . . . 1 18729 9 65 2 1.207 . 20.47171195350 . . . . . . . . . . 1 18729 9 66 1 2.149 . 23.62728118900 . . . . . . . . . . 1 18729 9 66 2 2.154 . 23.14945062000 . . . . . . . . . . 1 18729 9 67 1 0.979 . 24.31571483610 . . . . . . . . . . 1 18729 9 67 2 0.975 . 22.90854851400 . . . . . . . . . . 1 18729 9 68 1 3.973 . 16.88301563260 . . . . . . . . . . 1 18729 9 68 2 0.981 . 13.52230707800 . . . . . . . . . . 1 18729 9 69 1 3.965 . 29.86729145050 . . . . . . . . . . 1 18729 9 69 2 1.199 . 17.16117064160 . . . . . . . . . . 1 18729 9 70 1 8.808 . 20.45661211010 . . . . . . . . . . 1 18729 9 70 2 0.981 . 15.94771941500 . . . . . . . . . . 1 18729 9 71 1 8.806 . 18.78142356870 . . . . . . . . . . 1 18729 9 71 2 1.201 . 15.84738492970 . . . . . . . . . . 1 18729 9 72 1 2.350 . 20.13206481930 . . . . . . . . . . 1 18729 9 72 2 8.994 . 12.21373677250 . . . . . . . . . . 1 18729 9 73 1 2.223 . 18.32723617550 . . . . . . . . . . 1 18729 9 73 2 8.995 . 12.21733788650 . . . . . . . . . . 1 18729 9 74 1 2.358 . 26.78692340850 . . . . . . . . . . 1 18729 9 74 2 4.103 . 21.23514811200 . . . . . . . . . . 1 18729 9 75 1 2.217 . 175.04692077600 . . . . . . . . . . 1 18729 9 75 2 4.108 . 17.66035954160 . . . . . . . . . . 1 18729 9 76 1 2.047 . 29.33084964750 . . . . . . . . . . 1 18729 9 76 2 4.103 . 22.82162507380 . . . . . . . . . . 1 18729 9 77 1 2.367 . 165.83502292600 . . . . . . . . . . 1 18729 9 77 2 2.045 . 89.01258309680 . . . . . . . . . . 1 18729 9 78 1 2.217 . 164.83008861500 . . . . . . . . . . 1 18729 9 78 2 2.048 . 73.51338863370 . . . . . . . . . . 1 18729 9 79 1 2.045 . 84.05923843380 . . . . . . . . . . 1 18729 9 79 2 2.215 . 162.76886065800 . . . . . . . . . . 1 18729 9 80 1 2.045 . 104.30395603200 . . . . . . . . . . 1 18729 9 80 2 2.371 . 97.50376145040 . . . . . . . . . . 1 18729 9 81 1 2.042 . 47.97518253330 . . . . . . . . . . 1 18729 9 81 2 2.447 . 342.29308366800 . . . . . . . . . . 1 18729 9 82 1 2.220 . 91.16768836980 . . . . . . . . . . 1 18729 9 82 2 2.445 . 49.26174879070 . . . . . . . . . . 1 18729 9 83 1 2.217 . 101.77671909300 . . . . . . . . . . 1 18729 9 83 2 2.364 . 45.49473524090 . . . . . . . . . . 1 18729 9 84 1 8.986 . 20.72975039480 . . . . . . . . . . 1 18729 9 84 2 2.025 . 20.11309067410 . . . . . . . . . . 1 18729 9 85 1 9.002 . 21.05712890620 . . . . . . . . . . 1 18729 9 85 2 2.240 . 17.06779003140 . . . . . . . . . . 1 18729 9 86 1 8.993 . 31.39674663540 . . . . . . . . . . 1 18729 9 86 2 2.434 . 19.20312643050 . . . . . . . . . . 1 18729 9 87 1 8.426 . 11.41965389250 . . . . . . . . . . 1 18729 9 87 2 3.384 . 36.41744454700 . . . . . . . . . . 1 18729 9 88 1 8.428 . 14.51551914220 . . . . . . . . . . 1 18729 9 88 2 4.722 . 19.79718605680 . . . . . . . . . . 1 18729 9 89 1 8.429 . 16.72387123110 . . . . . . . . . . 1 18729 9 89 2 2.858 . 23.43455950420 . . . . . . . . . . 1 18729 9 90 1 2.843 . 25.01964569090 . . . . . . . . . . 1 18729 9 90 2 3.378 . 23.39631319050 . . . . . . . . . . 1 18729 9 91 1 3.381 . 25.54714679720 . . . . . . . . . . 1 18729 9 91 2 2.856 . 23.90195926030 . . . . . . . . . . 1 18729 9 92 1 2.936 . 25.42078495030 . . . . . . . . . . 1 18729 9 92 2 3.050 . 101.71482960400 . . . . . . . . . . 1 18729 9 93 1 3.035 . 24.69420433040 . . . . . . . . . . 1 18729 9 93 2 2.925 . 26.54294172920 . . . . . . . . . . 1 18729 9 94 1 3.027 . 30.49612045290 . . . . . . . . . . 1 18729 9 94 2 4.516 . 24.29634332660 . . . . . . . . . . 1 18729 9 95 1 2.935 . 33.65993499760 . . . . . . . . . . 1 18729 9 95 2 4.512 . 18.72579256690 . . . . . . . . . . 1 18729 9 96 1 3.036 . 29.82854843140 . . . . . . . . . . 1 18729 9 96 2 6.939 . 15.57767391200 . . . . . . . . . . 1 18729 9 97 1 2.925 . 30.07531166080 . . . . . . . . . . 1 18729 9 97 2 6.941 . 15.95218976340 . . . . . . . . . . 1 18729 9 98 1 6.935 . 20.66671848300 . . . . . . . . . . 1 18729 9 98 2 3.029 . 34.58509842550 . . . . . . . . . . 1 18729 9 99 1 6.932 . 19.05649900440 . . . . . . . . . . 1 18729 9 99 2 2.949 . 22.74811267850 . . . . . . . . . . 1 18729 9 100 1 0.792 . 21.68834209440 . . . . . . . . . . 1 18729 9 100 2 0.691 . 19.61588859560 . . . . . . . . . . 1 18729 9 101 1 0.717 . 167.60945320100 . . . . . . . . . . 1 18729 9 101 2 0.809 . 34.62334473930 . . . . . . . . . . 1 18729 9 102 1 1.675 . 20.86639404300 . . . . . . . . . . 1 18729 9 102 2 0.828 . 19.82003450390 . . . . . . . . . . 1 18729 9 103 1 1.683 . 25.37727355960 . . . . . . . . . . 1 18729 9 103 2 0.726 . 15.18627007800 . . . . . . . . . . 1 18729 9 104 1 1.953 . 15.47157764430 . . . . . . . . . . 1 18729 9 104 2 0.720 . 15.72718222940 . . . . . . . . . . 1 18729 9 105 1 1.687 . 86.85231208800 . . . . . . . . . . 1 18729 9 105 2 1.949 . 283.62472852100 . . . . . . . . . . 1 18729 9 106 1 1.951 . 429.62491512300 . . . . . . . . . . 1 18729 9 106 2 1.681 . 30.70632616680 . . . . . . . . . . 1 18729 9 107 1 1.950 . 295.07994651800 . . . . . . . . . . 1 18729 9 107 2 2.420 . 305.74053525900 . . . . . . . . . . 1 18729 9 108 1 1.665 . 26.16822719570 . . . . . . . . . . 1 18729 9 108 2 2.415 . 32.04445044200 . . . . . . . . . . 1 18729 9 109 1 0.701 . 17.09401607510 . . . . . . . . . . 1 18729 9 109 2 4.080 . 15.24190107980 . . . . . . . . . . 1 18729 9 110 1 0.830 . 73.15099239350 . . . . . . . . . . 1 18729 9 110 2 4.085 . 22.98802137370 . . . . . . . . . . 1 18729 9 111 1 1.661 . 27.30011940000 . . . . . . . . . . 1 18729 9 111 2 4.086 . 15.79374074940 . . . . . . . . . . 1 18729 9 112 1 1.942 . 24.27279949190 . . . . . . . . . . 1 18729 9 112 2 4.077 . 20.97884813940 . . . . . . . . . . 1 18729 9 113 1 2.658 . 21.26693725590 . . . . . . . . . . 1 18729 9 113 2 4.082 . 18.36220423380 . . . . . . . . . . 1 18729 9 114 1 8.117 . 12.74108886720 . . . . . . . . . . 1 18729 9 114 2 4.411 . 16.76529645920 . . . . . . . . . . 1 18729 9 115 1 2.776 . 23.90384674070 . . . . . . . . . . 1 18729 9 115 2 2.584 . 32.08468357720 . . . . . . . . . . 1 18729 9 116 1 2.561 . 190.48571586600 . . . . . . . . . . 1 18729 9 116 2 2.780 . 25.69705247880 . . . . . . . . . . 1 18729 9 117 1 2.767 . 30.31969070430 . . . . . . . . . . 1 18729 9 117 2 4.410 . 22.81616131460 . . . . . . . . . . 1 18729 9 118 1 2.566 . 34.32214260100 . . . . . . . . . . 1 18729 9 118 2 4.407 . 23.96404743190 . . . . . . . . . . 1 18729 9 119 1 1.978 . 81.73644542690 . . . . . . . . . . 1 18729 9 119 2 3.862 . 34.55430269240 . . . . . . . . . . 1 18729 9 120 1 2.033 . 80.73210716250 . . . . . . . . . . 1 18729 9 120 2 3.865 . 43.01667213440 . . . . . . . . . . 1 18729 9 121 1 2.032 . 141.12353324900 . . . . . . . . . . 1 18729 9 121 2 4.202 . 62.17807531360 . . . . . . . . . . 1 18729 9 122 1 1.983 . 72.88277149200 . . . . . . . . . . 1 18729 9 122 2 4.200 . 59.62997674940 . . . . . . . . . . 1 18729 9 123 1 3.857 . 105.06272316000 . . . . . . . . . . 1 18729 9 123 2 2.072 . 21.17156982420 . . . . . . . . . . 1 18729 9 124 1 3.860 . 38.69533538820 . . . . . . . . . . 1 18729 9 124 2 1.983 . 79.09288009010 . . . . . . . . . . 1 18729 9 125 1 4.188 . 56.26142024990 . . . . . . . . . . 1 18729 9 125 2 1.978 . 45.61295111970 . . . . . . . . . . 1 18729 9 126 1 2.262 . 86.20262146000 . . . . . . . . . . 1 18729 9 126 2 4.111 . 19.93527015050 . . . . . . . . . . 1 18729 9 127 1 2.077 . 29.33084964750 . . . . . . . . . . 1 18729 9 127 2 4.105 . 22.82162507380 . . . . . . . . . . 1 18729 9 128 1 2.092 . 39.34860229490 . . . . . . . . . . 1 18729 9 128 2 2.370 . 34.01190042500 . . . . . . . . . . 1 18729 9 129 1 2.268 . 85.31332015990 . . . . . . . . . . 1 18729 9 129 2 2.368 . 91.38286113740 . . . . . . . . . . 1 18729 9 130 1 2.367 . 120.58377265900 . . . . . . . . . . 1 18729 9 130 2 2.266 . 42.84729560220 . . . . . . . . . . 1 18729 9 131 1 2.372 . 25.55847167970 . . . . . . . . . . 1 18729 9 131 2 2.092 . 33.13521544140 . . . . . . . . . . 1 18729 9 132 1 2.265 . 170.94194889100 . . . . . . . . . . 1 18729 9 132 2 2.093 . 132.35708077700 . . . . . . . . . . 1 18729 9 133 1 2.090 . 164.05761241900 . . . . . . . . . . 1 18729 9 133 2 2.268 . 89.19338385260 . . . . . . . . . . 1 18729 9 134 1 8.739 . 20.60204744340 . . . . . . . . . . 1 18729 9 134 2 2.280 . 21.05832099910 . . . . . . . . . . 1 18729 9 135 1 8.738 . 15.93738794330 . . . . . . . . . . 1 18729 9 135 2 2.364 . 14.96622959770 . . . . . . . . . . 1 18729 9 136 1 8.735 . 13.83394002910 . . . . . . . . . . 1 18729 9 136 2 4.104 . 24.32217200600 . . . . . . . . . . 1 18729 9 137 1 2.083 . 30.98964691160 . . . . . . . . . . 1 18729 9 137 2 8.743 . 10.34451027710 . . . . . . . . . . 1 18729 9 138 1 2.282 . 10.87605953220 . . . . . . . . . . 1 18729 9 138 2 8.746 . 11.53312623500 . . . . . . . . . . 1 18729 9 139 1 2.370 . 45.90034484860 . . . . . . . . . . 1 18729 9 139 2 8.742 . 11.95184886460 . . . . . . . . . . 1 18729 9 140 1 1.908 . 68.75157356260 . . . . . . . . . . 1 18729 9 140 2 4.419 . 18.41137806570 . . . . . . . . . . 1 18729 9 141 1 1.791 . 34.35671329500 . . . . . . . . . . 1 18729 9 141 2 4.419 . 18.91255378720 . . . . . . . . . . 1 18729 9 142 1 1.697 . 70.71197032930 . . . . . . . . . . 1 18729 9 142 2 4.413 . 34.11769866940 . . . . . . . . . . 1 18729 9 143 1 3.029 . 29.09243106840 . . . . . . . . . . 1 18729 9 143 2 4.422 . 24.22283093130 . . . . . . . . . . 1 18729 9 144 1 1.909 . 45.08435726170 . . . . . . . . . . 1 18729 9 144 2 3.046 . 18.89169216160 . . . . . . . . . . 1 18729 9 145 1 1.728 . 28.60128879550 . . . . . . . . . . 1 18729 9 145 2 3.046 . 18.65625381470 . . . . . . . . . . 1 18729 9 146 1 1.516 . 30.57241439820 . . . . . . . . . . 1 18729 9 146 2 3.041 . 20.73695262270 . . . . . . . . . . 1 18729 9 147 1 1.515 . 35.58695316310 . . . . . . . . . . 1 18729 9 147 2 1.918 . 26.78632736210 . . . . . . . . . . 1 18729 9 148 1 1.513 . 29.35111522670 . . . . . . . . . . 1 18729 9 148 2 1.735 . 22.66714970270 . . . . . . . . . . 1 18729 9 149 1 1.737 . 224.65407848400 . . . . . . . . . . 1 18729 9 149 2 1.903 . 235.70110400500 . . . . . . . . . . 1 18729 9 150 1 1.907 . 339.36977386500 . . . . . . . . . . 1 18729 9 150 2 1.738 . 148.24370543200 . . . . . . . . . . 1 18729 9 151 1 1.912 . 26.39651298520 . . . . . . . . . . 1 18729 9 151 2 1.516 . 54.68279123310 . . . . . . . . . . 1 18729 9 152 1 1.729 . 26.83103084560 . . . . . . . . . . 1 18729 9 152 2 1.514 . 22.65423536300 . . . . . . . . . . 1 18729 9 153 1 1.824 . 365.18454551700 . . . . . . . . . . 1 18729 9 153 2 1.734 . 110.47621568000 . . . . . . . . . . 1 18729 9 154 1 1.733 . 146.83425426500 . . . . . . . . . . 1 18729 9 154 2 1.824 . 160.10105609900 . . . . . . . . . . 1 18729 9 155 1 1.829 . 233.45828056300 . . . . . . . . . . 1 18729 9 155 2 1.907 . 140.09426037500 . . . . . . . . . . 1 18729 9 156 1 1.909 . 208.72235298200 . . . . . . . . . . 1 18729 9 156 2 1.825 . 146.35970195100 . . . . . . . . . . 1 18729 9 157 1 1.425 . 87.66829967500 . . . . . . . . . . 1 18729 9 157 2 1.824 . 152.50543753300 . . . . . . . . . . 1 18729 9 158 1 3.036 . 22.39227294920 . . . . . . . . . . 1 18729 9 158 2 1.517 . 22.03583717350 . . . . . . . . . . 1 18729 9 159 1 3.036 . 21.97563648220 . . . . . . . . . . 1 18729 9 159 2 1.740 . 25.28478701910 . . . . . . . . . . 1 18729 9 160 1 3.034 . 35.73656082150 . . . . . . . . . . 1 18729 9 160 2 1.846 . 115.09507894500 . . . . . . . . . . 1 18729 9 161 1 3.039 . 25.01666545870 . . . . . . . . . . 1 18729 9 161 2 1.925 . 159.05996163700 . . . . . . . . . . 1 18729 9 162 1 7.463 . 20.49088478090 . . . . . . . . . . 1 18729 9 162 2 1.519 . 17.78652270640 . . . . . . . . . . 1 18729 9 163 1 7.446 . 17.80837774280 . . . . . . . . . . 1 18729 9 163 2 1.910 . 21.68416976930 . . . . . . . . . . 1 18729 9 164 1 7.455 . 19.36137676240 . . . . . . . . . . 1 18729 9 164 2 1.815 . 26.51313940680 . . . . . . . . . . 1 18729 9 165 1 7.447 . 24.96689558030 . . . . . . . . . . 1 18729 9 165 2 1.723 . 28.66437037790 . . . . . . . . . . 1 18729 9 166 1 7.450 . 22.89861440660 . . . . . . . . . . 1 18729 9 166 2 3.038 . 15.85185527800 . . . . . . . . . . 1 18729 9 167 1 1.802 . 35.73000431060 . . . . . . . . . . 1 18729 9 167 2 7.458 . 18.88051629070 . . . . . . . . . . 1 18729 9 168 1 1.707 . 22.43757247920 . . . . . . . . . . 1 18729 9 168 2 7.459 . 15.12020826340 . . . . . . . . . . 1 18729 9 169 1 1.902 . 24.38902854920 . . . . . . . . . . 1 18729 9 169 2 7.456 . 39.89289204280 . . . . . . . . . . 1 18729 9 170 1 7.930 . 20.72453498840 . . . . . . . . . . 1 18729 9 170 2 2.542 . 47.38618930180 . . . . . . . . . . 1 18729 9 171 1 7.926 . 25.76380968090 . . . . . . . . . . 1 18729 9 171 2 2.498 . 43.67878039680 . . . . . . . . . . 1 18729 9 172 1 7.930 . 18.38237047200 . . . . . . . . . . 1 18729 9 172 2 4.811 . 16.06941223140 . . . . . . . . . . 1 18729 9 173 1 2.497 . 43.91551017760 . . . . . . . . . . 1 18729 9 173 2 7.926 . 14.56762353580 . . . . . . . . . . 1 18729 9 174 1 1.732 . 48.14684391020 . . . . . . . . . . 1 18729 9 174 2 7.934 . 36.36106848720 . . . . . . . . . . 1 18729 9 175 1 1.732 . 33.44953060150 . . . . . . . . . . 1 18729 9 175 2 2.557 . 17.26547876990 . . . . . . . . . . 1 18729 9 176 1 2.302 . 55.83584308620 . . . . . . . . . . 1 18729 9 176 2 2.548 . 52.29463179910 . . . . . . . . . . 1 18729 9 177 1 2.490 . 71.07913494110 . . . . . . . . . . 1 18729 9 177 2 2.549 . 56.28466606140 . . . . . . . . . . 1 18729 9 178 1 2.549 . 131.63089752200 . . . . . . . . . . 1 18729 9 178 2 2.488 . 144.59192752800 . . . . . . . . . . 1 18729 9 179 1 2.541 . 64.15307521820 . . . . . . . . . . 1 18729 9 179 2 2.285 . 25.64042806630 . . . . . . . . . . 1 18729 9 180 1 2.487 . 61.96260452270 . . . . . . . . . . 1 18729 9 180 2 2.285 . 14.17050759000 . . . . . . . . . . 1 18729 9 181 1 2.535 . 49.51119422910 . . . . . . . . . . 1 18729 9 181 2 1.752 . 35.31128168110 . . . . . . . . . . 1 18729 9 182 1 2.487 . 19.08242702480 . . . . . . . . . . 1 18729 9 182 2 1.735 . 25.01507600150 . . . . . . . . . . 1 18729 9 183 1 1.724 . 30.46572208400 . . . . . . . . . . 1 18729 9 183 2 2.503 . 14.52167828880 . . . . . . . . . . 1 18729 9 184 1 2.298 . 224.06578064000 . . . . . . . . . . 1 18729 9 184 2 2.492 . 52.65076955160 . . . . . . . . . . 1 18729 9 185 1 7.661 . 16.36683940890 . . . . . . . . . . 1 18729 9 185 2 3.834 . 35.65698862080 . . . . . . . . . . 1 18729 9 186 1 3.827 . 39.22164440160 . . . . . . . . . . 1 18729 9 186 2 7.660 . 16.89468820890 . . . . . . . . . . 1 18729 9 187 1 8.606 . 24.18339252470 . . . . . . . . . . 1 18729 9 187 2 3.140 . 35.89491049450 . . . . . . . . . . 1 18729 9 188 1 8.602 . 17.27402210240 . . . . . . . . . . 1 18729 9 188 2 2.349 . 43.67927710220 . . . . . . . . . . 1 18729 9 189 1 8.601 . 17.57800579070 . . . . . . . . . . 1 18729 9 189 2 4.891 . 61.83261672660 . . . . . . . . . . 1 18729 9 190 1 3.148 . 23.16772937770 . . . . . . . . . . 1 18729 9 190 2 8.611 . 14.28648829460 . . . . . . . . . . 1 18729 9 191 1 2.354 . 19.74761486050 . . . . . . . . . . 1 18729 9 191 2 8.606 . 14.02062674360 . . . . . . . . . . 1 18729 9 192 1 2.353 . 29.17230129240 . . . . . . . . . . 1 18729 9 192 2 3.135 . 29.46456273400 . . . . . . . . . . 1 18729 9 193 1 3.140 . 37.80782222750 . . . . . . . . . . 1 18729 9 193 2 2.352 . 17.68817504250 . . . . . . . . . . 1 18729 9 194 1 8.224 . 43.08730363850 . . . . . . . . . . 1 18729 9 194 2 3.050 . 44.53609387080 . . . . . . . . . . 1 18729 9 195 1 8.223 . 38.18243741990 . . . . . . . . . . 1 18729 9 195 2 4.887 . 20.92892924940 . . . . . . . . . . 1 18729 9 196 1 3.051 . 46.70739173890 . . . . . . . . . . 1 18729 9 196 2 3.608 . 32.88686275480 . . . . . . . . . . 1 18729 9 197 1 3.601 . 37.14382648470 . . . . . . . . . . 1 18729 9 197 2 3.053 . 14.91258541740 . . . . . . . . . . 1 18729 9 198 1 9.447 . 17.54403114320 . . . . . . . . . . 1 18729 9 198 2 2.704 . 23.23935429260 . . . . . . . . . . 1 18729 9 199 1 9.447 . 15.14494419100 . . . . . . . . . . 1 18729 9 199 2 3.024 . 18.58423153560 . . . . . . . . . . 1 18729 9 200 1 9.263 . 17.94740557670 . . . . . . . . . . 1 18729 9 200 2 3.248 . 15.89556535090 . . . . . . . . . . 1 18729 9 201 1 9.260 . 25.48277378080 . . . . . . . . . . 1 18729 9 201 2 2.740 . 27.52145131430 . . . . . . . . . . 1 18729 9 202 1 2.730 . 31.44621849060 . . . . . . . . . . 1 18729 9 202 2 3.279 . 31.44145011900 . . . . . . . . . . 1 18729 9 203 1 3.267 . 32.58287906650 . . . . . . . . . . 1 18729 9 203 2 2.725 . 18.28471819560 . . . . . . . . . . 1 18729 9 204 1 3.804 . 28.64360809330 . . . . . . . . . . 1 18729 9 204 2 4.274 . 16.18812481560 . . . . . . . . . . 1 18729 9 205 1 1.652 . 28.03564071660 . . . . . . . . . . 1 18729 9 205 2 9.150 . 18.74441901840 . . . . . . . . . . 1 18729 9 206 1 3.212 . 33.74695777890 . . . . . . . . . . 1 18729 9 206 2 9.156 . 20.61451474830 . . . . . . . . . . 1 18729 9 207 1 1.639 . 52.88720130920 . . . . . . . . . . 1 18729 9 207 2 3.231 . 33.26932589210 . . . . . . . . . . 1 18729 9 208 1 3.213 . 34.96050834660 . . . . . . . . . . 1 18729 9 208 2 1.653 . 48.49632581080 . . . . . . . . . . 1 18729 9 209 1 9.146 . 27.16556191440 . . . . . . . . . . 1 18729 9 209 2 3.215 . 15.51260550820 . . . . . . . . . . 1 18729 9 210 1 10.614 . 16.31751656530 . . . . . . . . . . 1 18729 9 210 2 3.464 . 15.18726348880 . . . . . . . . . . 1 18729 9 211 1 2.693 . 30.89070320130 . . . . . . . . . . 1 18729 9 211 2 3.439 . 23.08338880540 . . . . . . . . . . 1 18729 9 212 1 3.433 . 22.72427082060 . . . . . . . . . . 1 18729 9 212 2 2.724 . 31.32820129390 . . . . . . . . . . 1 18729 9 213 1 0.881 . 10.71274280550 . . . . . . . . . . 1 18729 9 213 2 8.769 . 11.24677558740 . . . . . . . . . . 1 18729 9 214 1 1.774 . 27.52482891080 . . . . . . . . . . 1 18729 9 214 2 4.298 . 20.99275588990 . . . . . . . . . . 1 18729 9 215 1 0.788 . 22.06444740300 . . . . . . . . . . 1 18729 9 215 2 4.296 . 19.67002948130 . . . . . . . . . . 1 18729 9 216 1 0.886 . 19.01626586910 . . . . . . . . . . 1 18729 9 216 2 4.291 . 23.66900444030 . . . . . . . . . . 1 18729 9 217 1 0.789 . 22.03106880190 . . . . . . . . . . 1 18729 9 217 2 1.777 . 28.86603275930 . . . . . . . . . . 1 18729 9 218 1 0.886 . 19.70887184140 . . . . . . . . . . 1 18729 9 218 2 1.779 . 35.32022237780 . . . . . . . . . . 1 18729 9 219 1 0.791 . 22.87387847900 . . . . . . . . . . 1 18729 9 219 2 0.894 . 22.77741829550 . . . . . . . . . . 1 18729 9 220 1 0.918 . 39.05475139620 . . . . . . . . . . 1 18729 9 220 2 0.822 . 157.12976455700 . . . . . . . . . . 1 18729 9 221 1 1.763 . 36.18180751800 . . . . . . . . . . 1 18729 9 221 2 0.888 . 16.96944236760 . . . . . . . . . . 1 18729 9 222 1 1.766 . 23.95451068880 . . . . . . . . . . 1 18729 9 222 2 0.792 . 16.67042573290 . . . . . . . . . . 1 18729 9 223 1 8.766 . 23.73367547990 . . . . . . . . . . 1 18729 9 223 2 0.891 . 15.55085182190 . . . . . . . . . . 1 18729 9 224 1 8.763 . 14.57750797270 . . . . . . . . . . 1 18729 9 224 2 1.800 . 27.83189217250 . . . . . . . . . . 1 18729 9 225 1 8.759 . 30.04848957060 . . . . . . . . . . 1 18729 9 225 2 0.788 . 16.79956912990 . . . . . . . . . . 1 18729 9 226 1 9.270 . 15.81490039830 . . . . . . . . . . 1 18729 9 226 2 3.310 . 25.91063578920 . . . . . . . . . . 1 18729 9 227 1 9.279 . 14.17607069020 . . . . . . . . . . 1 18729 9 227 2 1.832 . 15.67701498670 . . . . . . . . . . 1 18729 9 228 1 2.005 . 127.73811817200 . . . . . . . . . . 1 18729 9 228 2 3.788 . 25.63595771790 . . . . . . . . . . 1 18729 9 229 1 1.643 . 198.83215427400 . . . . . . . . . . 1 18729 9 229 2 3.786 . 18.21517944340 . . . . . . . . . . 1 18729 9 230 1 1.843 . 144.19853687300 . . . . . . . . . . 1 18729 9 230 2 3.783 . 16.31826162340 . . . . . . . . . . 1 18729 9 231 1 3.293 . 25.61926841740 . . . . . . . . . . 1 18729 9 231 2 3.785 . 17.51830180490 . . . . . . . . . . 1 18729 9 232 1 2.005 . 20.05457878110 . . . . . . . . . . 1 18729 9 232 2 3.283 . 52.56086587910 . . . . . . . . . . 1 18729 9 233 1 1.644 . 155.67421913100 . . . . . . . . . . 1 18729 9 233 2 3.279 . 136.91385587100 . . . . . . . . . . 1 18729 9 234 1 1.844 . 57.92856216430 . . . . . . . . . . 1 18729 9 234 2 3.283 . 81.18351300560 . . . . . . . . . . 1 18729 9 235 1 2.311 . 38.39731216430 . . . . . . . . . . 1 18729 9 235 2 2.134 . 32.28833278020 . . . . . . . . . . 1 18729 9 236 1 3.293 . 91.05801582340 . . . . . . . . . . 1 18729 9 236 2 2.010 . 20.82586288450 . . . . . . . . . . 1 18729 9 237 1 3.290 . 97.78916835780 . . . . . . . . . . 1 18729 9 237 2 1.832 . 48.07760318120 . . . . . . . . . . 1 18729 9 238 1 3.787 . 100.22342205000 . . . . . . . . . . 1 18729 9 238 2 2.010 . 26.91994110740 . . . . . . . . . . 1 18729 9 239 1 8.368 . 14.92321491240 . . . . . . . . . . 1 18729 9 239 2 2.910 . 30.27468919750 . . . . . . . . . . 1 18729 9 240 1 8.367 . 15.44982194900 . . . . . . . . . . 1 18729 9 240 2 3.289 . 17.43932565050 . . . . . . . . . . 1 18729 9 241 1 3.276 . 25.90358257290 . . . . . . . . . . 1 18729 9 241 2 8.364 . 17.28745798270 . . . . . . . . . . 1 18729 9 242 1 2.913 . 42.89031028750 . . . . . . . . . . 1 18729 9 242 2 8.369 . 17.45733122030 . . . . . . . . . . 1 18729 9 243 1 2.926 . 24.07133579250 . . . . . . . . . . 1 18729 9 243 2 3.286 . 17.52724250160 . . . . . . . . . . 1 18729 9 244 1 3.285 . 23.00739288330 . . . . . . . . . . 1 18729 9 244 2 2.941 . 17.27888981500 . . . . . . . . . . 1 18729 9 245 1 1.920 . 58.12048912050 . . . . . . . . . . 1 18729 9 245 2 7.881 . 17.61789123220 . . . . . . . . . . 1 18729 9 246 1 2.167 . 23.99146556850 . . . . . . . . . . 1 18729 9 246 2 5.046 . 24.10138646760 . . . . . . . . . . 1 18729 9 247 1 1.885 . 27.81033515930 . . . . . . . . . . 1 18729 9 247 2 5.049 . 27.35555171970 . . . . . . . . . . 1 18729 9 248 1 2.178 . 117.32459068300 . . . . . . . . . . 1 18729 9 248 2 1.919 . 40.35035769140 . . . . . . . . . . 1 18729 9 249 1 1.917 . 199.64754581500 . . . . . . . . . . 1 18729 9 249 2 2.180 . 280.46915928500 . . . . . . . . . . 1 18729 9 250 1 8.989 . 18.15900206570 . . . . . . . . . . 1 18729 9 250 2 3.667 . 16.55866702400 . . . . . . . . . . 1 18729 9 251 1 8.986 . 14.45621252060 . . . . . . . . . . 1 18729 9 251 2 5.262 . 22.81640966730 . . . . . . . . . . 1 18729 9 252 1 2.764 . 29.31535243990 . . . . . . . . . . 1 18729 9 252 2 8.995 . 10.90976099170 . . . . . . . . . . 1 18729 9 253 1 2.756 . 19.26779747010 . . . . . . . . . . 1 18729 9 253 2 5.259 . 17.98470815020 . . . . . . . . . . 1 18729 9 254 1 2.765 . 25.73192119600 . . . . . . . . . . 1 18729 9 254 2 3.668 . 23.77380927400 . . . . . . . . . . 1 18729 9 255 1 3.671 . 17.34614372250 . . . . . . . . . . 1 18729 9 255 2 2.762 . 27.74049838380 . . . . . . . . . . 1 18729 9 256 1 2.074 . 15.13183116910 . . . . . . . . . . 1 18729 9 256 2 9.611 . 18.14986268680 . . . . . . . . . . 1 18729 9 257 1 2.077 . 28.98693084720 . . . . . . . . . . 1 18729 9 257 2 4.765 . 33.07759761810 . . . . . . . . . . 1 18729 9 258 1 1.769 . 24.28293228150 . . . . . . . . . . 1 18729 9 258 2 4.767 . 23.73854319250 . . . . . . . . . . 1 18729 9 259 1 1.761 . 25.80106258390 . . . . . . . . . . 1 18729 9 259 2 2.084 . 33.38505824410 . . . . . . . . . . 1 18729 9 260 1 2.082 . 26.43525600430 . . . . . . . . . . 1 18729 9 260 2 1.772 . 23.71966838840 . . . . . . . . . . 1 18729 9 261 1 3.259 . 80.72853088380 . . . . . . . . . . 1 18729 9 261 2 2.077 . 15.84241787590 . . . . . . . . . . 1 18729 9 262 1 3.260 . 68.54772567750 . . . . . . . . . . 1 18729 9 262 2 1.770 . 57.51152833300 . . . . . . . . . . 1 18729 9 263 1 2.962 . 64.28539752960 . . . . . . . . . . 1 18729 9 263 2 8.690 . 13.77699275810 . . . . . . . . . . 1 18729 9 264 1 2.829 . 31.80921077730 . . . . . . . . . . 1 18729 9 264 2 8.697 . 19.96606588360 . . . . . . . . . . 1 18729 9 265 1 2.940 . 31.69834613800 . . . . . . . . . . 1 18729 9 265 2 4.566 . 19.10974582040 . . . . . . . . . . 1 18729 9 266 1 2.840 . 38.73765468600 . . . . . . . . . . 1 18729 9 266 2 4.567 . 20.58744430540 . . . . . . . . . . 1 18729 9 267 1 2.827 . 27.86457538600 . . . . . . . . . . 1 18729 9 267 2 2.960 . 29.97815608980 . . . . . . . . . . 1 18729 9 268 1 2.946 . 28.17988395690 . . . . . . . . . . 1 18729 9 268 2 2.843 . 21.39558394750 . . . . . . . . . . 1 18729 9 269 1 8.692 . 21.43859863280 . . . . . . . . . . 1 18729 9 269 2 2.952 . 23.93722534180 . . . . . . . . . . 1 18729 9 270 1 3.536 . 33.58244895940 . . . . . . . . . . 1 18729 9 270 2 8.420 . 12.92141775290 . . . . . . . . . . 1 18729 9 271 1 3.535 . 33.43760967250 . . . . . . . . . . 1 18729 9 271 2 3.757 . 27.59347359340 . . . . . . . . . . 1 18729 9 272 1 3.762 . 35.80331802370 . . . . . . . . . . 1 18729 9 272 2 3.540 . 15.76791207000 . . . . . . . . . . 1 18729 9 273 1 7.296 . 20.52307128910 . . . . . . . . . . 1 18729 9 273 2 7.298 . 21.17902040480 . . . . . . . . . . 1 18729 9 274 1 7.350 . 23.67883920670 . . . . . . . . . . 1 18729 9 274 2 7.350 . 21.91737294200 . . . . . . . . . . 1 18729 9 275 1 7.286 . 37.55837678910 . . . . . . . . . . 1 18729 9 275 2 7.289 . 46.92102471990 . . . . . . . . . . 1 18729 9 278 1 7.553 . 18.47892999650 . . . . . . . . . . 1 18729 9 278 2 7.558 . 20.88745435080 . . . . . . . . . . 1 18729 9 279 1 7.547 . 31.50463104250 . . . . . . . . . . 1 18729 9 279 2 7.229 . 19.63873704270 . . . . . . . . . . 1 18729 9 280 1 7.547 . 27.47863531110 . . . . . . . . . . 1 18729 9 280 2 7.340 . 23.86271953580 . . . . . . . . . . 1 18729 9 281 1 7.347 . 30.62307834630 . . . . . . . . . . 1 18729 9 281 2 7.550 . 60.35690506300 . . . . . . . . . . 1 18729 9 282 1 7.227 . 19.45436000820 . . . . . . . . . . 1 18729 9 282 2 7.564 . 25.75988570850 . . . . . . . . . . 1 18729 9 283 1 7.623 . 15.55413007740 . . . . . . . . . . 1 18729 9 283 2 7.628 . 18.05722713470 . . . . . . . . . . 1 18729 9 284 1 7.609 . 15.90818166730 . . . . . . . . . . 1 18729 9 284 2 7.614 . 19.77284749350 . . . . . . . . . . 1 18729 9 285 1 7.634 . 21.40194177630 . . . . . . . . . . 1 18729 9 285 2 7.638 . 27.10148692130 . . . . . . . . . . 1 18729 9 286 1 7.620 . 18.50664615630 . . . . . . . . . . 1 18729 9 286 2 7.557 . 13.16790779430 . . . . . . . . . . 1 18729 9 287 1 7.555 . 15.70075750350 . . . . . . . . . . 1 18729 9 287 2 7.637 . 15.92114567760 . . . . . . . . . . 1 18729 9 288 1 7.340 . 24.01977777480 . . . . . . . . . . 1 18729 9 288 2 7.340 . 23.63771200180 . . . . . . . . . . 1 18729 9 289 1 7.223 . 21.38793468480 . . . . . . . . . . 1 18729 9 289 2 7.229 . 25.41293700540 . . . . . . . . . . 1 18729 9 290 1 7.347 . 104.33226823800 . . . . . . . . . . 1 18729 9 290 2 7.229 . 58.85710318880 . . . . . . . . . . 1 18729 9 291 1 7.230 . 165.14688730200 . . . . . . . . . . 1 18729 9 291 2 7.348 . 103.04326812400 . . . . . . . . . . 1 18729 9 292 1 7.451 . 18.35703849790 . . . . . . . . . . 1 18729 9 292 2 1.416 . 22.33386039730 . . . . . . . . . . 1 18729 9 293 1 1.914 . 23.29707145690 . . . . . . . . . . 1 18729 9 293 2 1.411 . 23.22594324750 . . . . . . . . . . 1 18729 9 294 1 1.730 . 56.17678165440 . . . . . . . . . . 1 18729 9 294 2 1.420 . 85.15467246370 . . . . . . . . . . 1 18729 9 295 1 1.427 . 85.85572242740 . . . . . . . . . . 1 18729 9 295 2 1.735 . 55.41990200680 . . . . . . . . . . 1 18729 9 296 1 1.518 . 22.82202243800 . . . . . . . . . . 1 18729 9 296 2 1.824 . 224.45321083100 . . . . . . . . . . 1 18729 9 297 1 1.423 . 101.55975818600 . . . . . . . . . . 1 18729 9 297 2 1.919 . 28.83672714230 . . . . . . . . . . 1 18729 9 298 1 1.415 . 80.12890815730 . . . . . . . . . . 1 18729 9 298 2 3.034 . 21.37124538420 . . . . . . . . . . 1 18729 9 299 1 3.032 . 26.63850784300 . . . . . . . . . . 1 18729 9 299 2 1.424 . 31.39525651930 . . . . . . . . . . 1 18729 9 300 1 3.301 . 96.61018848420 . . . . . . . . . . 1 18729 9 300 2 1.644 . 65.04108508430 . . . . . . . . . . 1 18729 9 301 1 2.000 . 396.47102356000 . . . . . . . . . . 1 18729 9 301 2 1.844 . 71.08896970750 . . . . . . . . . . 1 18729 9 302 1 1.842 . 216.05312824200 . . . . . . . . . . 1 18729 9 302 2 1.998 . 285.52561998400 . . . . . . . . . . 1 18729 9 303 1 1.645 . 53.00760269170 . . . . . . . . . . 1 18729 9 303 2 1.997 . 328.62871885300 . . . . . . . . . . 1 18729 9 304 1 1.644 . 191.80297851600 . . . . . . . . . . 1 18729 9 304 2 1.842 . 319.79580720300 . . . . . . . . . . 1 18729 9 305 1 1.842 . 282.90033340500 . . . . . . . . . . 1 18729 9 305 2 1.644 . 127.75411208500 . . . . . . . . . . 1 18729 9 306 1 1.999 . 34.03842449190 . . . . . . . . . . 1 18729 9 306 2 1.644 . 55.42784929280 . . . . . . . . . . 1 18729 9 307 1 9.163 . 25.72819590570 . . . . . . . . . . 1 18729 9 307 2 1.650 . 27.02573935190 . . . . . . . . . . 1 18729 9 308 1 1.689 . 104.42614555400 . . . . . . . . . . 1 18729 9 308 2 3.788 . 29.89967664080 . . . . . . . . . . 1 18729 9 309 1 1.650 . 66.55931472780 . . . . . . . . . . 1 18729 9 309 2 9.297 . 16.87246064350 . . . . . . . . . . 1 18729 9 310 1 1.690 . 135.91110706300 . . . . . . . . . . 1 18729 9 310 2 3.281 . 66.78601106010 . . . . . . . . . . 1 18729 9 311 1 1.689 . 84.87641811370 . . . . . . . . . . 1 18729 9 311 2 1.997 . 433.94466241200 . . . . . . . . . . 1 18729 9 312 1 1.688 . 148.02396297500 . . . . . . . . . . 1 18729 9 312 2 1.843 . 227.08177566500 . . . . . . . . . . 1 18729 9 313 1 1.843 . 308.80272388500 . . . . . . . . . . 1 18729 9 313 2 1.688 . 127.47297684400 . . . . . . . . . . 1 18729 9 314 1 1.999 . 315.74606895400 . . . . . . . . . . 1 18729 9 314 2 1.688 . 53.81355683010 . . . . . . . . . . 1 18729 9 315 1 3.293 . 107.10656642900 . . . . . . . . . . 1 18729 9 315 2 1.691 . 68.49070390070 . . . . . . . . . . 1 18729 9 316 1 1.430 . 23.18561077120 . . . . . . . . . . 1 18729 9 316 2 1.140 . 17.60820547740 . . . . . . . . . . 1 18729 9 317 1 1.420 . 90.74747562410 . . . . . . . . . . 1 18729 9 317 2 0.889 . 18.44465732570 . . . . . . . . . . 1 18729 9 318 1 1.413 . 31.48198127750 . . . . . . . . . . 1 18729 9 318 2 0.797 . 21.25650644300 . . . . . . . . . . 1 18729 9 319 1 1.108 . 35.47430038450 . . . . . . . . . . 1 18729 9 319 2 0.795 . 20.54373423260 . . . . . . . . . . 1 18729 9 320 1 1.116 . 23.36680889130 . . . . . . . . . . 1 18729 9 320 2 0.888 . 11.44657532370 . . . . . . . . . . 1 18729 9 321 1 0.883 . 21.02077007290 . . . . . . . . . . 1 18729 9 321 2 1.119 . 103.37978601500 . . . . . . . . . . 1 18729 9 322 1 0.790 . 21.31819725040 . . . . . . . . . . 1 18729 9 322 2 1.115 . 44.60314909620 . . . . . . . . . . 1 18729 9 323 1 1.126 . 36.86845302580 . . . . . . . . . . 1 18729 9 323 2 1.423 . 39.57798083620 . . . . . . . . . . 1 18729 9 324 1 0.888 . 23.66423606870 . . . . . . . . . . 1 18729 9 324 2 1.421 . 268.30981175100 . . . . . . . . . . 1 18729 9 325 1 0.790 . 20.03788948060 . . . . . . . . . . 1 18729 9 325 2 1.409 . 38.59798113510 . . . . . . . . . . 1 18729 9 326 1 1.119 . 29.05607223510 . . . . . . . . . . 1 18729 9 326 2 1.779 . 15.16093810400 . . . . . . . . . . 1 18729 9 327 1 1.439 . 119.65632438700 . . . . . . . . . . 1 18729 9 327 2 1.784 . 127.37909952800 . . . . . . . . . . 1 18729 9 328 1 1.783 . 167.38653183000 . . . . . . . . . . 1 18729 9 328 2 1.434 . 51.91266536710 . . . . . . . . . . 1 18729 9 329 1 0.835 . 40.68553447720 . . . . . . . . . . 1 18729 9 329 2 2.436 . 14.71738020580 . . . . . . . . . . 1 18729 9 330 1 0.844 . 16.80314540860 . . . . . . . . . . 1 18729 9 330 2 2.672 . 16.22339089710 . . . . . . . . . . 1 18729 9 331 1 0.715 . 16.28994941710 . . . . . . . . . . 1 18729 9 331 2 2.439 . 17.57045586900 . . . . . . . . . . 1 18729 9 332 1 0.694 . 28.46658229830 . . . . . . . . . . 1 18729 9 332 2 2.678 . 20.09719610210 . . . . . . . . . . 1 18729 9 333 1 2.082 . 94.16878223420 . . . . . . . . . . 1 18729 9 333 2 3.856 . 77.83323526380 . . . . . . . . . . 1 18729 9 334 1 2.082 . 124.19402599300 . . . . . . . . . . 1 18729 9 334 2 4.192 . 78.90413204830 . . . . . . . . . . 1 18729 9 335 1 3.193 . 61.14065647130 . . . . . . . . . . 1 18729 9 335 2 1.770 . 31.01179997130 . . . . . . . . . . 1 18729 9 336 1 3.271 . 19.57178115840 . . . . . . . . . . 1 18729 9 336 2 3.186 . 17.69661903380 . . . . . . . . . . 1 18729 9 337 1 3.170 . 22.51982688900 . . . . . . . . . . 1 18729 9 337 2 3.284 . 21.00418011350 . . . . . . . . . . 1 18729 9 338 1 3.194 . 206.70175552400 . . . . . . . . . . 1 18729 9 338 2 2.077 . 17.08964506790 . . . . . . . . . . 1 18729 9 339 1 3.238 . 65.03701210020 . . . . . . . . . . 1 18729 9 339 2 2.006 . 32.08667039870 . . . . . . . . . . 1 18729 9 340 1 3.223 . 50.63176155090 . . . . . . . . . . 1 18729 9 340 2 1.838 . 207.64867464700 . . . . . . . . . . 1 18729 9 341 1 3.220 . 41.93067550660 . . . . . . . . . . 1 18729 9 341 2 1.681 . 63.96770477290 . . . . . . . . . . 1 18729 9 342 1 3.222 . 34.18445587160 . . . . . . . . . . 1 18729 9 342 2 1.639 . 53.51006984710 . . . . . . . . . . 1 18729 9 343 1 1.836 . 280.50541877700 . . . . . . . . . . 1 18729 9 343 2 3.223 . 98.66754213970 . . . . . . . . . . 1 18729 9 344 1 1.683 . 191.72191619900 . . . . . . . . . . 1 18729 9 344 2 3.223 . 50.99823077520 . . . . . . . . . . 1 18729 9 345 1 1.639 . 82.55362510680 . . . . . . . . . . 1 18729 9 345 2 3.221 . 34.82103347780 . . . . . . . . . . 1 18729 9 346 1 3.223 . 97.09715843200 . . . . . . . . . . 1 18729 9 346 2 3.785 . 14.52515522640 . . . . . . . . . . 1 18729 9 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 9.565 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 9 1 2 1 . . 9.567 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 9 2 1 1 . . 9.619 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 9 2 2 1 . . 9.620 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 9 3 1 1 . . 10.613 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 9 3 2 1 . . 10.614 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 9 4 1 1 . . 9.613 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 9 4 2 2 . . 2.082 . . 1 . 1 1 30 ARG HB3 . . . . . . . . . . 163 . 18729 9 5 1 1 . . 9.613 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 9 5 2 2 . . 1.777 . . 1 . 1 1 30 ARG HB2 . . . . . . . . . . 162 . 18729 9 6 1 1 . . 9.811 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 9 6 2 1 . . 9.818 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 9 7 1 1 . . 6.850 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 9 7 2 1 . . 7.994 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 9 8 1 1 . . 7.990 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 9 8 2 1 . . 6.854 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 9 9 1 1 . . 6.885 . . 1 . 1 1 19 TRP HD1 . . . . . . . . . . 300 . 18729 9 9 2 1 . . 6.890 . . 1 . 1 1 19 TRP HD1 . . . . . . . . . . 300 . 18729 9 10 1 2 . . 1.771 . . 1 . 1 1 30 ARG HB2 . . . . . . . . . . 162 . 18729 9 10 2 1 . . 9.622 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 9 11 1 1 . . 9.150 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 9 11 2 1 . . 9.152 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 9 12 1 1 . . 9.001 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 9 12 1 2 . . 9.001 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 9 12 2 1 . . 8.998 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 9 12 2 2 . . 8.998 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 9 18 1 1 . . 9.168 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 9 18 2 3 . . 1.557 . . 1 . 1 1 23 ARG HG3 . . . . . . . . . . 321 . 18729 9 18 2 4 . . 1.557 . . 1 . 1 1 23 ARG HG2 . . . . . . . . . . 323 . 18729 9 19 1 1 . . 8.696 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 9 19 1 2 . . 8.696 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 9 19 2 1 . . 2.853 . . 1 . 1 1 6 ASN HB2 . . . . . . . . . . 222 . 18729 9 19 2 2 . . 2.853 . . 1 . 1 1 31 ASN HB2 . . . . . . . . . . 159 . 18729 9 20 1 1 . . 8.986 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 9 20 2 1 . . 4.113 . . 1 . 1 1 5 GLU HA . . . . . . . . . . 226 . 18729 9 21 1 1 . . 8.805 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 9 21 2 1 . . 3.988 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 9 22 1 1 . . 7.871 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 9 22 2 1 . . 5.052 . . 1 . 1 1 28 GLU HA . . . . . . . . . . 167 . 18729 9 23 1 1 . . 7.615 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 9 23 2 1 . . 7.033 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 9 24 1 1 . . 7.018 . . 1 . 1 1 31 ASN HD22 . . . . . . . . . . 67 . 18729 9 24 2 1 . . 7.642 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 9 25 1 1 . . 7.029 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 9 25 2 1 . . 7.613 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 9 26 1 1 . . 7.635 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 9 26 2 1 . . 7.023 . . 1 . 1 1 31 ASN HD22 . . . . . . . . . . 67 . 18729 9 27 1 1 . . 6.935 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 9 27 2 1 . . 4.510 . . 1 . 1 1 10 CYS HA . . . . . . . . . . 237 . 18729 9 28 1 1 . . 7.452 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 9 28 2 1 . . 4.422 . . 1 . 1 1 15 LYS HA . . . . . . . . . . 204 . 18729 9 29 1 1 . . 7.657 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 9 29 2 1 . . 4.406 . . 1 . 1 1 17 GLY HA3 . . . . . . . . . . 157 . 18729 9 30 1 1 . . 8.326 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 9 30 2 1 . . 4.278 . . 1 . 1 1 8 GLY HA2 . . . . . . . . . . 218 . 18729 9 31 1 1 . . 8.365 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 9 31 2 1 . . 4.340 . . 1 . 1 1 27 ASN HA . . . . . . . . . . 170 . 18729 9 32 1 1 . . 8.322 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 9 32 2 1 . . 3.567 . . 1 . 1 1 8 GLY HA3 . . . . . . . . . . 217 . 18729 9 33 1 1 . . 8.412 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 9 33 2 1 . . 3.774 . . 1 . 1 1 32 GLY HA2 . . . . . . . . . . 241 . 18729 9 34 1 1 . . 8.411 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 9 34 2 1 . . 3.545 . . 1 . 1 1 32 GLY HA3 . . . . . . . . . . 242 . 18729 9 35 1 1 . . 8.692 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 9 35 2 1 . . 4.567 . . 1 . 1 1 31 ASN HA . . . . . . . . . . 158 . 18729 9 36 1 1 . . 8.770 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 9 36 2 1 . . 4.295 . . 1 . 1 1 25 ILE HA . . . . . . . . . . 177 . 18729 9 37 1 1 . . 9.562 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 9 37 2 1 . . 4.500 . . 1 . 1 1 7 GLY HA2 . . . . . . . . . . 220 . 18729 9 38 1 1 . . 9.254 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 9 38 2 1 . . 4.563 . . 1 . 1 1 21 CYS HA . . . . . . . . . . 189 . 18729 9 39 1 1 . . 9.609 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 9 39 2 1 . . 4.780 . . 1 . 1 1 30 ARG HA . . . . . . . . . . 161 . 18729 9 40 1 1 . . 8.875 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 9 40 2 1 . . 4.246 . . 1 . 1 1 22 GLY HA3 . . . . . . . . . . 186 . 18729 9 41 1 1 . . 8.881 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 9 41 2 1 . . 3.821 . . 1 . 1 1 22 GLY HA2 . . . . . . . . . . 185 . 18729 9 42 1 1 . . 9.564 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 9 42 2 1 . . 3.841 . . 1 . 1 1 7 GLY HA3 . . . . . . . . . . 219 . 18729 9 43 1 1 . . 9.268 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 9 43 2 1 . . 3.783 . . 1 . 1 1 26 ARG HA . . . . . . . . . . 173 . 18729 9 44 1 1 . . 7.871 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 9 44 2 1 . . 1.923 . . 1 . 1 1 28 GLU HB3 . . . . . . . . . . 168 . 18729 9 44 2 2 . . 1.923 . . 1 . 1 1 28 GLU HB2 . . . . . . . . . . 169 . 18729 9 45 1 1 . . 7.872 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 9 45 2 1 . . 2.172 . . 1 . 1 1 28 GLU HG3 . . . . . . . . . . 272 . 18729 9 45 2 2 . . 2.172 . . 1 . 1 1 28 GLU HG2 . . . . . . . . . . 273 . 18729 9 46 1 1 . . 8.738 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 9 46 2 1 . . 2.089 . . 1 . 1 1 14 GLU HB2 . . . . . . . . . . 207 . 18729 9 46 2 2 . . 2.089 . . 1 . 1 1 14 GLU HB3 . . . . . . . . . . 206 . 18729 9 47 1 1 . . 2.309 . . 1 . 1 1 2 GLU HG3 . . . . . . . . . . 246 . 18729 9 47 1 2 . . 2.309 . . 1 . 1 1 2 GLU HG2 . . . . . . . . . . 245 . 18729 9 47 2 1 . . 4.473 . . 1 . 1 1 2 GLU HA . . . . . . . . . . 234 . 18729 9 48 1 1 . . 2.127 . . 1 . 1 1 2 GLU HB3 . . . . . . . . . . 233 . 18729 9 48 2 1 . . 4.470 . . 1 . 1 1 2 GLU HA . . . . . . . . . . 234 . 18729 9 49 1 1 . . 1.924 . . 1 . 1 1 2 GLU HB2 . . . . . . . . . . 232 . 18729 9 49 2 1 . . 4.479 . . 1 . 1 1 2 GLU HA . . . . . . . . . . 234 . 18729 9 50 1 1 . . 2.151 . . 1 . 1 1 2 GLU HB3 . . . . . . . . . . 233 . 18729 9 50 2 2 . . 2.325 . . 1 . 1 1 2 GLU HG3 . . . . . . . . . . 246 . 18729 9 50 2 3 . . 2.325 . . 1 . 1 1 2 GLU HG2 . . . . . . . . . . 245 . 18729 9 51 1 1 . . 1.935 . . 1 . 1 1 2 GLU HB2 . . . . . . . . . . 232 . 18729 9 51 2 1 . . 2.327 . . 1 . 1 1 2 GLU HG3 . . . . . . . . . . 246 . 18729 9 51 2 2 . . 2.327 . . 1 . 1 1 2 GLU HG2 . . . . . . . . . . 245 . 18729 9 52 1 1 . . 1.937 . . 1 . 1 1 2 GLU HB2 . . . . . . . . . . 232 . 18729 9 52 2 1 . . 2.152 . . 1 . 1 1 2 GLU HB3 . . . . . . . . . . 233 . 18729 9 53 1 1 . . 2.323 . . 1 . 1 1 2 GLU HG3 . . . . . . . . . . 246 . 18729 9 53 1 2 . . 2.323 . . 1 . 1 1 2 GLU HG2 . . . . . . . . . . 245 . 18729 9 53 2 1 . . 1.940 . . 1 . 1 1 2 GLU HB2 . . . . . . . . . . 232 . 18729 9 54 1 1 . . 2.151 . . 1 . 1 1 2 GLU HB3 . . . . . . . . . . 233 . 18729 9 54 2 1 . . 1.938 . . 1 . 1 1 2 GLU HB2 . . . . . . . . . . 232 . 18729 9 55 1 1 . . 2.168 . . 1 . 1 1 28 GLU HG3 . . . . . . . . . . 272 . 18729 9 55 1 2 . . 2.168 . . 1 . 1 1 28 GLU HG2 . . . . . . . . . . 273 . 18729 9 55 2 1 . . 7.876 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 9 56 1 1 . . 8.256 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 9 56 2 1 . . 3.142 . . 1 . 1 1 3 CYS HB2 . . . . . . . . . . 230 . 18729 9 57 1 1 . . 8.252 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 9 57 2 1 . . 3.055 . . 1 . 1 1 3 CYS HB3 . . . . . . . . . . 229 . 18729 9 58 1 1 . . 8.256 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 9 58 2 1 . . 4.834 . . 1 . 1 1 3 CYS HA . . . . . . . . . . 231 . 18729 9 59 1 1 . . 3.055 . . 1 . 1 1 3 CYS HB3 . . . . . . . . . . 229 . 18729 9 59 2 1 . . 8.259 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 9 60 1 1 . . 3.121 . . 1 . 1 1 3 CYS HB2 . . . . . . . . . . 230 . 18729 9 60 2 1 . . 8.259 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 9 61 1 1 . . 0.969 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 9 61 2 1 . . 8.809 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 9 62 1 1 . . 0.972 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 9 62 2 1 . . 2.160 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 9 63 1 1 . . 2.140 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 9 63 2 1 . . 0.980 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 9 64 1 1 . . 2.140 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 9 64 2 1 . . 1.193 . . 1 . 1 1 4 VAL MG2 . . . . . . . . . . 248 . 18729 9 65 1 1 . . 0.973 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 9 65 2 1 . . 1.207 . . 1 . 1 1 4 VAL MG2 . . . . . . . . . . 248 . 18729 9 66 1 1 . . 2.149 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 9 66 2 1 . . 2.154 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 9 67 1 1 . . 0.979 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 9 67 2 1 . . 0.975 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 9 68 1 1 . . 3.973 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 9 68 2 1 . . 0.981 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 9 69 1 1 . . 3.965 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 9 69 2 1 . . 1.199 . . 1 . 1 1 4 VAL MG2 . . . . . . . . . . 248 . 18729 9 70 1 1 . . 8.808 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 9 70 2 1 . . 0.981 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 9 71 1 1 . . 8.806 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 9 71 2 1 . . 1.201 . . 1 . 1 1 4 VAL MG2 . . . . . . . . . . 248 . 18729 9 72 1 1 . . 2.350 . . 1 . 1 1 5 GLU HG3 . . . . . . . . . . 249 . 18729 9 72 2 1 . . 8.994 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 9 73 1 1 . . 2.223 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 9 73 2 1 . . 8.995 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 9 74 1 1 . . 2.358 . . 1 . 1 1 5 GLU HG3 . . . . . . . . . . 249 . 18729 9 74 1 2 . . 2.358 . . 1 . 1 1 14 GLU HG2 . . . . . . . . . . 256 . 18729 9 74 2 1 . . 4.103 . . 1 . 1 1 5 GLU HA . . . . . . . . . . 226 . 18729 9 74 2 2 . . 4.103 . . 1 . 1 1 14 GLU HA . . . . . . . . . . 205 . 18729 9 75 1 1 . . 2.217 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 9 75 2 1 . . 4.108 . . 1 . 1 1 5 GLU HA . . . . . . . . . . 226 . 18729 9 76 1 1 . . 2.047 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 9 76 2 1 . . 4.103 . . 1 . 1 1 5 GLU HA . . . . . . . . . . 226 . 18729 9 77 1 1 . . 2.367 . . 1 . 1 1 5 GLU HG3 . . . . . . . . . . 249 . 18729 9 77 2 1 . . 2.045 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 9 78 1 1 . . 2.217 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 9 78 2 1 . . 2.048 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 9 79 1 1 . . 2.045 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 9 79 2 1 . . 2.215 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 9 80 1 1 . . 2.045 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 9 80 2 1 . . 2.371 . . 1 . 1 1 14 GLU HG2 . . . . . . . . . . 256 . 18729 9 81 1 1 . . 2.042 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 9 81 2 1 . . 2.447 . . 1 . 1 1 5 GLU HG2 . . . . . . . . . . 250 . 18729 9 82 1 1 . . 2.220 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 9 82 2 1 . . 2.445 . . 1 . 1 1 5 GLU HG2 . . . . . . . . . . 250 . 18729 9 83 1 1 . . 2.217 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 9 83 2 1 . . 2.364 . . 1 . 1 1 5 GLU HG3 . . . . . . . . . . 249 . 18729 9 84 1 1 . . 8.986 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 9 84 2 1 . . 2.025 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 9 85 1 1 . . 9.002 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 9 85 2 1 . . 2.240 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 9 86 1 1 . . 8.993 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 9 87 1 1 . . 8.426 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 9 87 2 1 . . 3.384 . . 1 . 1 1 9 PHE HB2 . . . . . . . . . . 215 . 18729 9 88 1 1 . . 8.428 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 9 88 2 1 . . 4.722 . . 1 . 1 1 9 PHE HA . . . . . . . . . . 216 . 18729 9 89 1 1 . . 8.429 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 9 89 2 1 . . 2.858 . . 1 . 1 1 9 PHE HB3 . . . . . . . . . . 214 . 18729 9 90 1 1 . . 2.843 . . 1 . 1 1 9 PHE HB3 . . . . . . . . . . 214 . 18729 9 90 2 1 . . 3.378 . . 1 . 1 1 9 PHE HB2 . . . . . . . . . . 215 . 18729 9 91 1 1 . . 3.381 . . 1 . 1 1 9 PHE HB2 . . . . . . . . . . 215 . 18729 9 91 2 1 . . 2.856 . . 1 . 1 1 9 PHE HB3 . . . . . . . . . . 214 . 18729 9 92 1 1 . . 2.936 . . 1 . 1 1 10 CYS HB3 . . . . . . . . . . 239 . 18729 9 92 2 1 . . 3.050 . . 1 . 1 1 10 CYS HB2 . . . . . . . . . . 238 . 18729 9 93 1 1 . . 3.035 . . 1 . 1 1 10 CYS HB2 . . . . . . . . . . 238 . 18729 9 93 2 1 . . 2.925 . . 1 . 1 1 10 CYS HB3 . . . . . . . . . . 239 . 18729 9 94 1 1 . . 3.027 . . 1 . 1 1 10 CYS HB2 . . . . . . . . . . 238 . 18729 9 94 2 1 . . 4.516 . . 1 . 1 1 10 CYS HA . . . . . . . . . . 237 . 18729 9 95 1 1 . . 2.935 . . 1 . 1 1 10 CYS HB3 . . . . . . . . . . 239 . 18729 9 95 2 1 . . 4.512 . . 1 . 1 1 10 CYS HA . . . . . . . . . . 237 . 18729 9 96 1 1 . . 3.036 . . 1 . 1 1 10 CYS HB2 . . . . . . . . . . 238 . 18729 9 96 2 1 . . 6.939 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 9 97 1 1 . . 2.925 . . 1 . 1 1 10 CYS HB3 . . . . . . . . . . 239 . 18729 9 97 2 1 . . 6.941 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 9 98 1 1 . . 6.935 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 9 98 2 1 . . 3.029 . . 1 . 1 1 10 CYS HB2 . . . . . . . . . . 238 . 18729 9 99 1 1 . . 6.932 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 9 99 2 1 . . 2.949 . . 1 . 1 1 10 CYS HB3 . . . . . . . . . . 239 . 18729 9 100 1 1 . . 0.792 . . 1 . 1 1 11 PRO HG2 . . . . . . . . . . 285 . 18729 9 100 2 1 . . 0.691 . . 1 . 1 1 11 PRO HG3 . . . . . . . . . . 284 . 18729 9 101 1 1 . . 0.717 . . 1 . 1 1 11 PRO HG3 . . . . . . . . . . 284 . 18729 9 101 2 1 . . 0.809 . . 1 . 1 1 11 PRO HG2 . . . . . . . . . . 285 . 18729 9 102 1 1 . . 1.675 . . 1 . 1 1 11 PRO HB2 . . . . . . . . . . 211 . 18729 9 102 2 1 . . 0.828 . . 1 . 1 1 11 PRO HG2 . . . . . . . . . . 285 . 18729 9 103 1 1 . . 1.683 . . 1 . 1 1 11 PRO HB2 . . . . . . . . . . 211 . 18729 9 103 2 1 . . 0.726 . . 1 . 1 1 11 PRO HG3 . . . . . . . . . . 284 . 18729 9 104 1 1 . . 1.953 . . 1 . 1 1 11 PRO HB3 . . . . . . . . . . 212 . 18729 9 104 2 1 . . 0.720 . . 1 . 1 1 11 PRO HG3 . . . . . . . . . . 284 . 18729 9 105 1 1 . . 1.687 . . 1 . 1 1 11 PRO HB2 . . . . . . . . . . 211 . 18729 9 105 2 1 . . 1.949 . . 1 . 1 1 11 PRO HB3 . . . . . . . . . . 212 . 18729 9 106 1 1 . . 1.951 . . 1 . 1 1 11 PRO HB3 . . . . . . . . . . 212 . 18729 9 106 2 1 . . 1.681 . . 1 . 1 1 11 PRO HB2 . . . . . . . . . . 211 . 18729 9 107 1 1 . . 1.950 . . 1 . 1 1 11 PRO HB3 . . . . . . . . . . 212 . 18729 9 107 2 1 . . 2.420 . . 1 . 1 1 11 PRO HD2 . . . . . . . . . . 281 . 18729 9 108 1 1 . . 1.665 . . 1 . 1 1 11 PRO HB2 . . . . . . . . . . 211 . 18729 9 108 2 1 . . 2.415 . . 1 . 1 1 11 PRO HD2 . . . . . . . . . . 281 . 18729 9 109 1 1 . . 0.701 . . 1 . 1 1 11 PRO HG3 . . . . . . . . . . 284 . 18729 9 109 2 1 . . 4.080 . . 1 . 1 1 11 PRO HA . . . . . . . . . . 213 . 18729 9 110 1 1 . . 0.830 . . 1 . 1 1 11 PRO HG2 . . . . . . . . . . 285 . 18729 9 110 2 1 . . 4.085 . . 1 . 1 1 11 PRO HA . . . . . . . . . . 213 . 18729 9 111 1 1 . . 1.661 . . 1 . 1 1 11 PRO HB2 . . . . . . . . . . 211 . 18729 9 111 2 1 . . 4.086 . . 1 . 1 1 11 PRO HA . . . . . . . . . . 213 . 18729 9 112 1 1 . . 1.942 . . 1 . 1 1 11 PRO HB3 . . . . . . . . . . 212 . 18729 9 112 2 1 . . 4.077 . . 1 . 1 1 11 PRO HA . . . . . . . . . . 213 . 18729 9 113 1 1 . . 2.658 . . 1 . 1 1 11 PRO HD3 . . . . . . . . . . 282 . 18729 9 113 2 1 . . 4.082 . . 1 . 1 1 11 PRO HA . . . . . . . . . . 213 . 18729 9 114 1 1 . . 8.117 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 9 114 2 1 . . 4.411 . . 1 . 1 1 12 ASP HA . . . . . . . . . . 240 . 18729 9 115 1 1 . . 2.776 . . 1 . 1 1 12 ASP HB3 . . . . . . . . . . 301 . 18729 9 115 2 1 . . 2.584 . . 1 . 1 1 12 ASP HB2 . . . . . . . . . . 302 . 18729 9 116 1 1 . . 2.561 . . 1 . 1 1 12 ASP HB2 . . . . . . . . . . 302 . 18729 9 116 2 1 . . 2.780 . . 1 . 1 1 12 ASP HB3 . . . . . . . . . . 301 . 18729 9 117 1 1 . . 2.767 . . 1 . 1 1 12 ASP HB3 . . . . . . . . . . 301 . 18729 9 117 2 1 . . 4.410 . . 1 . 1 1 12 ASP HA . . . . . . . . . . 240 . 18729 9 118 1 1 . . 2.566 . . 1 . 1 1 12 ASP HB2 . . . . . . . . . . 302 . 18729 9 118 2 1 . . 4.407 . . 1 . 1 1 12 ASP HA . . . . . . . . . . 240 . 18729 9 119 1 1 . . 1.978 . . 1 . 1 1 13 PRO HG3 . . . . . . . . . . 254 . 18729 9 119 2 1 . . 3.862 . . 1 . 1 1 13 PRO HD2 . . . . . . . . . . 252 . 18729 9 119 2 2 . . 3.862 . . 1 . 1 1 13 PRO HD3 . . . . . . . . . . 251 . 18729 9 120 1 1 . . 2.033 . . 1 . 1 1 13 PRO HB3 . . . . . . . . . . 209 . 18729 9 120 1 2 . . 2.033 . . 1 . 1 1 13 PRO HB2 . . . . . . . . . . 210 . 18729 9 120 2 1 . . 3.865 . . 1 . 1 1 13 PRO HD2 . . . . . . . . . . 252 . 18729 9 120 2 2 . . 3.865 . . 1 . 1 1 13 PRO HD3 . . . . . . . . . . 251 . 18729 9 121 1 1 . . 2.032 . . 1 . 1 1 13 PRO HB2 . . . . . . . . . . 210 . 18729 9 121 1 2 . . 2.032 . . 1 . 1 1 13 PRO HB3 . . . . . . . . . . 209 . 18729 9 121 2 1 . . 4.202 . . 1 . 1 1 13 PRO HA . . . . . . . . . . 208 . 18729 9 122 1 1 . . 1.983 . . 1 . 1 1 13 PRO HG3 . . . . . . . . . . 254 . 18729 9 122 2 1 . . 4.200 . . 1 . 1 1 13 PRO HA . . . . . . . . . . 208 . 18729 9 123 1 1 . . 3.857 . . 1 . 1 1 13 PRO HD2 . . . . . . . . . . 252 . 18729 9 123 1 2 . . 3.857 . . 1 . 1 1 13 PRO HD3 . . . . . . . . . . 251 . 18729 9 123 2 1 . . 2.072 . . 1 . 1 1 13 PRO HB2 . . . . . . . . . . 210 . 18729 9 123 2 2 . . 2.072 . . 1 . 1 1 13 PRO HB3 . . . . . . . . . . 209 . 18729 9 124 1 1 . . 3.860 . . 1 . 1 1 13 PRO HD2 . . . . . . . . . . 252 . 18729 9 124 1 2 . . 3.860 . . 1 . 1 1 13 PRO HD3 . . . . . . . . . . 251 . 18729 9 124 2 1 . . 1.983 . . 1 . 1 1 13 PRO HG3 . . . . . . . . . . 254 . 18729 9 125 1 1 . . 4.188 . . 1 . 1 1 13 PRO HA . . . . . . . . . . 208 . 18729 9 125 2 1 . . 1.978 . . 1 . 1 1 13 PRO HG3 . . . . . . . . . . 254 . 18729 9 126 1 1 . . 2.262 . . 1 . 1 1 14 GLU HG3 . . . . . . . . . . 255 . 18729 9 126 2 1 . . 4.111 . . 1 . 1 1 14 GLU HA . . . . . . . . . . 205 . 18729 9 127 1 1 . . 2.077 . . 1 . 1 1 14 GLU HB2 . . . . . . . . . . 207 . 18729 9 127 1 2 . . 2.077 . . 1 . 1 1 14 GLU HB3 . . . . . . . . . . 206 . 18729 9 127 2 1 . . 4.105 . . 1 . 1 1 14 GLU HA . . . . . . . . . . 205 . 18729 9 128 1 1 . . 2.092 . . 1 . 1 1 14 GLU HB2 . . . . . . . . . . 207 . 18729 9 128 1 2 . . 2.092 . . 1 . 1 1 14 GLU HB3 . . . . . . . . . . 206 . 18729 9 128 2 1 . . 2.370 . . 1 . 1 1 14 GLU HG2 . . . . . . . . . . 256 . 18729 9 129 1 1 . . 2.268 . . 1 . 1 1 14 GLU HG3 . . . . . . . . . . 255 . 18729 9 129 2 1 . . 2.368 . . 1 . 1 1 14 GLU HG2 . . . . . . . . . . 256 . 18729 9 130 1 1 . . 2.367 . . 1 . 1 1 14 GLU HG2 . . . . . . . . . . 256 . 18729 9 130 2 1 . . 2.266 . . 1 . 1 1 14 GLU HG3 . . . . . . . . . . 255 . 18729 9 131 1 1 . . 2.372 . . 1 . 1 1 14 GLU HG2 . . . . . . . . . . 256 . 18729 9 131 2 1 . . 2.092 . . 1 . 1 1 14 GLU HB2 . . . . . . . . . . 207 . 18729 9 131 2 2 . . 2.092 . . 1 . 1 1 14 GLU HB3 . . . . . . . . . . 206 . 18729 9 132 1 1 . . 2.265 . . 1 . 1 1 14 GLU HG3 . . . . . . . . . . 255 . 18729 9 132 2 1 . . 2.093 . . 1 . 1 1 14 GLU HB2 . . . . . . . . . . 207 . 18729 9 132 2 2 . . 2.093 . . 1 . 1 1 14 GLU HB3 . . . . . . . . . . 206 . 18729 9 133 1 1 . . 2.090 . . 1 . 1 1 14 GLU HB2 . . . . . . . . . . 207 . 18729 9 133 1 2 . . 2.090 . . 1 . 1 1 14 GLU HB3 . . . . . . . . . . 206 . 18729 9 133 2 1 . . 2.268 . . 1 . 1 1 14 GLU HG3 . . . . . . . . . . 255 . 18729 9 134 1 1 . . 8.739 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 9 134 2 1 . . 2.280 . . 1 . 1 1 14 GLU HG3 . . . . . . . . . . 255 . 18729 9 135 1 1 . . 8.738 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 9 135 2 1 . . 2.364 . . 1 . 1 1 14 GLU HG2 . . . . . . . . . . 256 . 18729 9 136 1 1 . . 8.735 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 9 136 2 1 . . 4.104 . . 1 . 1 1 14 GLU HA . . . . . . . . . . 205 . 18729 9 137 1 1 . . 2.083 . . 1 . 1 1 14 GLU HB2 . . . . . . . . . . 207 . 18729 9 137 1 2 . . 2.083 . . 1 . 1 1 14 GLU HB3 . . . . . . . . . . 206 . 18729 9 137 2 1 . . 8.743 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 9 138 1 1 . . 2.282 . . 1 . 1 1 14 GLU HG3 . . . . . . . . . . 255 . 18729 9 138 2 1 . . 8.746 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 9 139 1 1 . . 2.370 . . 1 . 1 1 14 GLU HG2 . . . . . . . . . . 256 . 18729 9 139 2 1 . . 8.742 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 9 140 1 1 . . 1.908 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 140 2 1 . . 4.419 . . 1 . 1 1 15 LYS HA . . . . . . . . . . 204 . 18729 9 141 1 1 . . 1.791 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 9 141 2 1 . . 4.419 . . 1 . 1 1 15 LYS HA . . . . . . . . . . 204 . 18729 9 142 1 1 . . 1.697 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 142 1 2 . . 1.697 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 142 2 1 . . 4.413 . . 1 . 1 1 15 LYS HA . . . . . . . . . . 204 . 18729 9 143 1 1 . . 3.029 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 9 143 1 2 . . 3.029 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 9 143 2 1 . . 4.422 . . 1 . 1 1 15 LYS HA . . . . . . . . . . 204 . 18729 9 144 1 1 . . 1.909 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 144 2 1 . . 3.046 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 9 144 2 2 . . 3.046 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 9 145 1 1 . . 1.728 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 145 1 2 . . 1.728 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 145 2 1 . . 3.046 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 9 145 2 2 . . 3.046 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 9 146 1 1 . . 1.516 . . 1 . 1 1 15 LYS HG3 . . . . . . . . . . 260 . 18729 9 146 2 1 . . 3.041 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 9 146 2 2 . . 3.041 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 9 147 1 1 . . 1.515 . . 1 . 1 1 15 LYS HG3 . . . . . . . . . . 260 . 18729 9 147 2 1 . . 1.918 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 148 1 1 . . 1.513 . . 1 . 1 1 15 LYS HG3 . . . . . . . . . . 260 . 18729 9 148 2 1 . . 1.735 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 148 2 2 . . 1.735 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 149 1 1 . . 1.737 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 149 1 2 . . 1.737 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 149 2 1 . . 1.903 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 150 1 1 . . 1.907 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 150 2 1 . . 1.738 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 150 2 2 . . 1.738 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 151 1 1 . . 1.912 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 151 2 1 . . 1.516 . . 1 . 1 1 15 LYS HG3 . . . . . . . . . . 260 . 18729 9 152 1 1 . . 1.729 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 152 1 2 . . 1.729 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 152 2 1 . . 1.514 . . 1 . 1 1 15 LYS HG3 . . . . . . . . . . 260 . 18729 9 153 1 1 . . 1.824 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 9 153 2 1 . . 1.734 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 153 2 2 . . 1.734 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 154 1 1 . . 1.733 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 154 1 3 . . 1.733 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 154 2 1 . . 1.824 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 9 155 1 1 . . 1.829 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 9 155 2 1 . . 1.907 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 156 1 1 . . 1.909 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 156 2 1 . . 1.825 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 9 157 1 2 . . 1.425 . . 1 . 1 1 15 LYS HG2 . . . . . . . . . . 259 . 18729 9 157 2 1 . . 1.824 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 9 158 1 1 . . 3.036 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 9 158 1 2 . . 3.036 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 9 158 2 1 . . 1.517 . . 1 . 1 1 15 LYS HG3 . . . . . . . . . . 260 . 18729 9 159 1 1 . . 3.036 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 9 159 1 2 . . 3.036 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 9 159 2 1 . . 1.740 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 159 2 2 . . 1.740 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 160 1 1 . . 3.034 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 9 160 1 2 . . 3.034 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 9 160 2 1 . . 1.846 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 9 161 1 1 . . 3.039 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 9 161 1 2 . . 3.039 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 9 161 2 1 . . 1.925 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 162 1 1 . . 7.463 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 9 162 2 1 . . 1.519 . . 1 . 1 1 15 LYS HG3 . . . . . . . . . . 260 . 18729 9 163 1 1 . . 7.446 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 9 163 2 1 . . 1.910 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 164 1 1 . . 7.455 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 9 164 2 1 . . 1.815 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 9 165 1 1 . . 7.447 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 9 165 2 1 . . 1.723 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 165 2 2 . . 1.723 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 166 1 1 . . 7.450 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 9 166 2 1 . . 3.038 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 9 166 2 2 . . 3.038 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 9 167 1 1 . . 1.802 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 9 167 2 1 . . 7.458 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 9 168 1 1 . . 1.707 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 168 1 2 . . 1.707 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 168 2 1 . . 7.459 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 9 169 1 1 . . 1.902 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 169 2 1 . . 7.456 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 9 170 1 1 . . 7.930 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 9 170 2 1 . . 2.542 . . 1 . 1 1 16 MET HG3 . . . . . . . . . . 264 . 18729 9 171 1 1 . . 7.926 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 9 171 2 1 . . 2.498 . . 1 . 1 1 16 MET HG2 . . . . . . . . . . 263 . 18729 9 172 1 1 . . 7.930 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 9 172 2 1 . . 4.811 . . 1 . 1 1 16 MET HA . . . . . . . . . . 201 . 18729 9 173 1 1 . . 2.497 . . 1 . 1 1 16 MET HG2 . . . . . . . . . . 263 . 18729 9 173 2 1 . . 7.926 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 9 174 1 1 . . 1.732 . . 1 . 1 1 16 MET HB2 . . . . . . . . . . 199 . 18729 9 174 2 1 . . 7.934 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 9 175 1 1 . . 1.732 . . 1 . 1 1 16 MET HB2 . . . . . . . . . . 199 . 18729 9 175 2 1 . . 2.557 . . 1 . 1 1 16 MET HG3 . . . . . . . . . . 264 . 18729 9 176 1 1 . . 2.302 . . 1 . 1 1 16 MET HB3 . . . . . . . . . . 200 . 18729 9 176 2 1 . . 2.548 . . 1 . 1 1 16 MET HG3 . . . . . . . . . . 264 . 18729 9 177 1 1 . . 2.490 . . 1 . 1 1 16 MET HG2 . . . . . . . . . . 263 . 18729 9 177 2 1 . . 2.549 . . 1 . 1 1 16 MET HG3 . . . . . . . . . . 264 . 18729 9 178 1 1 . . 2.549 . . 1 . 1 1 16 MET HG3 . . . . . . . . . . 264 . 18729 9 178 2 1 . . 2.488 . . 1 . 1 1 16 MET HG2 . . . . . . . . . . 263 . 18729 9 179 1 1 . . 2.541 . . 1 . 1 1 16 MET HG3 . . . . . . . . . . 264 . 18729 9 179 2 1 . . 2.285 . . 1 . 1 1 16 MET HB3 . . . . . . . . . . 200 . 18729 9 180 1 1 . . 2.487 . . 1 . 1 1 16 MET HG2 . . . . . . . . . . 263 . 18729 9 180 2 1 . . 2.285 . . 1 . 1 1 16 MET HB3 . . . . . . . . . . 200 . 18729 9 181 1 1 . . 2.535 . . 1 . 1 1 16 MET HG3 . . . . . . . . . . 264 . 18729 9 181 2 1 . . 1.752 . . 1 . 1 1 16 MET HB2 . . . . . . . . . . 199 . 18729 9 182 1 1 . . 2.487 . . 1 . 1 1 16 MET HG2 . . . . . . . . . . 263 . 18729 9 182 2 1 . . 1.735 . . 1 . 1 1 16 MET HB2 . . . . . . . . . . 199 . 18729 9 183 1 1 . . 1.724 . . 1 . 1 1 16 MET HB2 . . . . . . . . . . 199 . 18729 9 183 2 1 . . 2.503 . . 1 . 1 1 16 MET HG2 . . . . . . . . . . 263 . 18729 9 184 1 1 . . 2.298 . . 1 . 1 1 16 MET HB3 . . . . . . . . . . 200 . 18729 9 184 2 1 . . 2.492 . . 1 . 1 1 16 MET HG2 . . . . . . . . . . 263 . 18729 9 185 1 1 . . 7.661 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 9 185 2 1 . . 3.834 . . 1 . 1 1 17 GLY HA2 . . . . . . . . . . 156 . 18729 9 186 1 1 . . 3.827 . . 1 . 1 1 17 GLY HA2 . . . . . . . . . . 156 . 18729 9 186 2 1 . . 7.660 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 9 187 1 1 . . 8.606 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 9 187 2 1 . . 3.140 . . 1 . 1 1 18 ASP HB3 . . . . . . . . . . 197 . 18729 9 188 1 1 . . 8.602 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 9 188 2 1 . . 2.349 . . 1 . 1 1 18 ASP HB2 . . . . . . . . . . 196 . 18729 9 189 1 1 . . 8.601 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 9 189 2 1 . . 4.891 . . 1 . 1 1 18 ASP HA . . . . . . . . . . 198 . 18729 9 190 1 1 . . 3.148 . . 1 . 1 1 18 ASP HB3 . . . . . . . . . . 197 . 18729 9 190 2 1 . . 8.611 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 9 191 1 1 . . 2.354 . . 1 . 1 1 18 ASP HB2 . . . . . . . . . . 196 . 18729 9 191 2 1 . . 8.606 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 9 192 1 1 . . 2.353 . . 1 . 1 1 18 ASP HB2 . . . . . . . . . . 196 . 18729 9 192 2 1 . . 3.135 . . 1 . 1 1 18 ASP HB3 . . . . . . . . . . 197 . 18729 9 193 1 1 . . 3.140 . . 1 . 1 1 18 ASP HB3 . . . . . . . . . . 197 . 18729 9 193 2 1 . . 2.352 . . 1 . 1 1 18 ASP HB2 . . . . . . . . . . 196 . 18729 9 194 1 1 . . 8.224 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 9 194 2 1 . . 3.050 . . 1 . 1 1 19 TRP HB2 . . . . . . . . . . 193 . 18729 9 195 1 1 . . 8.223 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 9 195 2 1 . . 4.887 . . 1 . 1 1 19 TRP HA . . . . . . . . . . 195 . 18729 9 196 1 1 . . 3.051 . . 1 . 1 1 19 TRP HB2 . . . . . . . . . . 193 . 18729 9 196 2 1 . . 3.608 . . 1 . 1 1 19 TRP HB3 . . . . . . . . . . 194 . 18729 9 197 1 1 . . 3.601 . . 1 . 1 1 19 TRP HB3 . . . . . . . . . . 194 . 18729 9 197 2 1 . . 3.053 . . 1 . 1 1 19 TRP HB2 . . . . . . . . . . 193 . 18729 9 198 1 1 . . 9.447 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 9 198 2 1 . . 2.704 . . 1 . 1 1 20 CYS HB3 . . . . . . . . . . 190 . 18729 9 199 1 1 . . 9.447 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 9 199 2 2 . . 3.024 . . 1 . 1 1 20 CYS HB2 . . . . . . . . . . 191 . 18729 9 200 1 1 . . 9.263 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 9 200 2 1 . . 3.248 . . 1 . 1 1 21 CYS HB3 . . . . . . . . . . 188 . 18729 9 201 1 1 . . 9.260 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 9 201 2 1 . . 2.740 . . 1 . 1 1 21 CYS HB2 . . . . . . . . . . 187 . 18729 9 202 1 1 . . 2.730 . . 1 . 1 1 21 CYS HB2 . . . . . . . . . . 187 . 18729 9 202 2 1 . . 3.279 . . 1 . 1 1 21 CYS HB3 . . . . . . . . . . 188 . 18729 9 203 1 1 . . 3.267 . . 1 . 1 1 21 CYS HB3 . . . . . . . . . . 188 . 18729 9 203 2 1 . . 2.725 . . 1 . 1 1 21 CYS HB2 . . . . . . . . . . 187 . 18729 9 204 1 1 . . 3.804 . . 1 . 1 1 22 GLY HA2 . . . . . . . . . . 185 . 18729 9 204 2 1 . . 4.274 . . 1 . 1 1 22 GLY HA3 . . . . . . . . . . 186 . 18729 9 205 1 1 . . 1.652 . . 1 . 1 1 23 ARG HB2 . . . . . . . . . . 183 . 18729 9 205 1 2 . . 1.652 . . 1 . 1 1 23 ARG HB3 . . . . . . . . . . 184 . 18729 9 205 2 1 . . 9.150 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 9 206 1 1 . . 3.212 . . 1 . 1 1 23 ARG HD3 . . . . . . . . . . 266 . 18729 9 206 1 2 . . 3.212 . . 1 . 1 1 23 ARG HD2 . . . . . . . . . . 265 . 18729 9 206 2 1 . . 9.156 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 9 207 1 1 . . 1.639 . . 1 . 1 1 23 ARG HB2 . . . . . . . . . . 183 . 18729 9 207 1 2 . . 1.639 . . 1 . 1 1 23 ARG HB3 . . . . . . . . . . 184 . 18729 9 207 2 1 . . 3.231 . . 1 . 1 1 23 ARG HD2 . . . . . . . . . . 265 . 18729 9 207 2 2 . . 3.231 . . 1 . 1 1 23 ARG HD3 . . . . . . . . . . 266 . 18729 9 208 1 1 . . 3.213 . . 1 . 1 1 23 ARG HD3 . . . . . . . . . . 266 . 18729 9 208 1 2 . . 3.213 . . 1 . 1 1 23 ARG HD2 . . . . . . . . . . 265 . 18729 9 208 2 1 . . 1.653 . . 1 . 1 1 23 ARG HB2 . . . . . . . . . . 183 . 18729 9 208 2 2 . . 1.653 . . 1 . 1 1 23 ARG HB3 . . . . . . . . . . 184 . 18729 9 209 1 1 . . 9.146 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 9 209 2 1 . . 3.215 . . 1 . 1 1 23 ARG HD3 . . . . . . . . . . 266 . 18729 9 209 2 2 . . 3.215 . . 1 . 1 1 23 ARG HD2 . . . . . . . . . . 265 . 18729 9 210 1 1 . . 10.614 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 9 210 2 1 . . 3.464 . . 1 . 1 1 24 CYS HB2 . . . . . . . . . . 181 . 18729 9 211 1 1 . . 2.693 . . 1 . 1 1 24 CYS HB3 . . . . . . . . . . 180 . 18729 9 211 2 1 . . 3.439 . . 1 . 1 1 24 CYS HB2 . . . . . . . . . . 181 . 18729 9 212 1 1 . . 3.433 . . 1 . 1 1 24 CYS HB2 . . . . . . . . . . 181 . 18729 9 212 2 1 . . 2.724 . . 1 . 1 1 24 CYS HB3 . . . . . . . . . . 180 . 18729 9 213 1 1 . . 0.881 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 9 213 2 1 . . 8.769 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 9 214 1 1 . . 1.774 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 9 214 2 1 . . 4.298 . . 1 . 1 1 25 ILE HA . . . . . . . . . . 177 . 18729 9 215 1 1 . . 0.788 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 9 215 2 1 . . 4.296 . . 1 . 1 1 25 ILE HA . . . . . . . . . . 177 . 18729 9 216 1 1 . . 0.886 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 9 216 2 1 . . 4.291 . . 1 . 1 1 25 ILE HA . . . . . . . . . . 177 . 18729 9 217 1 1 . . 0.789 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 9 217 2 1 . . 1.777 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 9 218 1 1 . . 0.886 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 9 218 2 1 . . 1.779 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 9 219 1 1 . . 0.791 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 9 219 2 1 . . 0.894 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 9 220 1 1 . . 0.918 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 9 220 2 1 . . 0.822 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 9 221 1 1 . . 1.763 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 9 221 2 1 . . 0.888 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 9 222 1 1 . . 1.766 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 9 222 2 1 . . 0.792 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 9 223 1 1 . . 8.766 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 9 223 2 1 . . 0.891 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 9 224 1 1 . . 8.763 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 9 224 2 1 . . 1.800 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 9 225 1 1 . . 8.759 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 9 225 2 1 . . 0.788 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 9 226 1 1 . . 9.270 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 9 226 2 2 . . 3.310 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 9 227 1 1 . . 9.279 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 9 227 2 3 . . 1.832 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 228 1 1 . . 2.005 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 9 228 2 1 . . 3.788 . . 1 . 1 1 26 ARG HA . . . . . . . . . . 173 . 18729 9 229 1 1 . . 1.643 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 9 229 1 2 . . 1.643 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 9 229 2 1 . . 3.786 . . 1 . 1 1 26 ARG HA . . . . . . . . . . 173 . 18729 9 230 1 1 . . 1.843 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 230 2 1 . . 3.783 . . 1 . 1 1 26 ARG HA . . . . . . . . . . 173 . 18729 9 231 1 2 . . 3.293 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 9 231 2 1 . . 3.785 . . 1 . 1 1 26 ARG HA . . . . . . . . . . 173 . 18729 9 232 1 1 . . 2.005 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 9 232 2 2 . . 3.283 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 9 233 1 1 . . 1.644 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 9 233 2 2 . . 3.279 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 9 234 1 1 . . 1.844 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 234 2 2 . . 3.283 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 9 235 1 1 . . 2.311 . . 1 . 1 1 2 GLU HG3 . . . . . . . . . . 246 . 18729 9 235 1 2 . . 2.311 . . 1 . 1 1 2 GLU HG2 . . . . . . . . . . 245 . 18729 9 235 2 1 . . 2.134 . . 1 . 1 1 2 GLU HB3 . . . . . . . . . . 233 . 18729 9 236 1 2 . . 3.293 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 9 236 2 1 . . 2.010 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 9 237 1 1 . . 3.290 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 9 237 2 1 . . 1.832 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 238 1 1 . . 3.787 . . 1 . 1 1 26 ARG HA . . . . . . . . . . 173 . 18729 9 238 2 1 . . 2.010 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 9 239 1 1 . . 8.368 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 9 239 2 1 . . 2.910 . . 1 . 1 1 27 ASN HB3 . . . . . . . . . . 172 . 18729 9 240 1 1 . . 8.367 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 9 240 2 1 . . 3.289 . . 1 . 1 1 27 ASN HB2 . . . . . . . . . . 171 . 18729 9 241 1 1 . . 3.276 . . 1 . 1 1 27 ASN HB2 . . . . . . . . . . 171 . 18729 9 241 2 1 . . 8.364 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 9 242 1 1 . . 2.913 . . 1 . 1 1 27 ASN HB3 . . . . . . . . . . 172 . 18729 9 242 2 1 . . 8.369 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 9 243 1 1 . . 2.926 . . 1 . 1 1 27 ASN HB3 . . . . . . . . . . 172 . 18729 9 243 2 1 . . 3.286 . . 1 . 1 1 27 ASN HB2 . . . . . . . . . . 171 . 18729 9 244 1 1 . . 3.285 . . 1 . 1 1 27 ASN HB2 . . . . . . . . . . 171 . 18729 9 244 2 1 . . 2.941 . . 1 . 1 1 27 ASN HB3 . . . . . . . . . . 172 . 18729 9 245 1 1 . . 1.920 . . 1 . 1 1 28 GLU HB3 . . . . . . . . . . 168 . 18729 9 245 1 2 . . 1.920 . . 1 . 1 1 28 GLU HB2 . . . . . . . . . . 169 . 18729 9 245 2 1 . . 7.881 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 9 246 1 1 . . 2.167 . . 1 . 1 1 28 GLU HG3 . . . . . . . . . . 272 . 18729 9 246 1 2 . . 2.167 . . 1 . 1 1 28 GLU HG2 . . . . . . . . . . 273 . 18729 9 246 2 1 . . 5.046 . . 1 . 1 1 28 GLU HA . . . . . . . . . . 167 . 18729 9 247 1 1 . . 1.885 . . 1 . 1 1 28 GLU HB3 . . . . . . . . . . 168 . 18729 9 247 1 2 . . 1.885 . . 1 . 1 1 28 GLU HB2 . . . . . . . . . . 169 . 18729 9 247 2 1 . . 5.049 . . 1 . 1 1 28 GLU HA . . . . . . . . . . 167 . 18729 9 248 1 1 . . 2.178 . . 1 . 1 1 28 GLU HG3 . . . . . . . . . . 272 . 18729 9 248 1 2 . . 2.178 . . 1 . 1 1 28 GLU HG2 . . . . . . . . . . 273 . 18729 9 248 2 1 . . 1.919 . . 1 . 1 1 28 GLU HB2 . . . . . . . . . . 169 . 18729 9 248 2 2 . . 1.919 . . 1 . 1 1 28 GLU HB3 . . . . . . . . . . 168 . 18729 9 249 1 1 . . 1.917 . . 1 . 1 1 28 GLU HB3 . . . . . . . . . . 168 . 18729 9 249 1 2 . . 1.917 . . 1 . 1 1 28 GLU HB2 . . . . . . . . . . 169 . 18729 9 249 2 1 . . 2.180 . . 1 . 1 1 28 GLU HG3 . . . . . . . . . . 272 . 18729 9 249 2 2 . . 2.180 . . 1 . 1 1 28 GLU HG2 . . . . . . . . . . 273 . 18729 9 250 1 1 . . 8.989 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 9 250 2 1 . . 3.667 . . 1 . 1 1 29 CYS HB2 . . . . . . . . . . 165 . 18729 9 251 1 1 . . 8.986 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 9 251 2 1 . . 5.262 . . 1 . 1 1 29 CYS HA . . . . . . . . . . 164 . 18729 9 252 1 1 . . 2.764 . . 1 . 1 1 29 CYS HB3 . . . . . . . . . . 166 . 18729 9 252 2 1 . . 8.995 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 9 253 1 1 . . 2.756 . . 1 . 1 1 29 CYS HB3 . . . . . . . . . . 166 . 18729 9 253 2 1 . . 5.259 . . 1 . 1 1 29 CYS HA . . . . . . . . . . 164 . 18729 9 254 1 1 . . 2.765 . . 1 . 1 1 29 CYS HB3 . . . . . . . . . . 166 . 18729 9 254 2 1 . . 3.668 . . 1 . 1 1 29 CYS HB2 . . . . . . . . . . 165 . 18729 9 255 1 1 . . 3.671 . . 1 . 1 1 29 CYS HB2 . . . . . . . . . . 165 . 18729 9 255 2 1 . . 2.762 . . 1 . 1 1 29 CYS HB3 . . . . . . . . . . 166 . 18729 9 256 1 2 . . 2.074 . . 1 . 1 1 30 ARG HB3 . . . . . . . . . . 163 . 18729 9 256 2 1 . . 9.611 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 9 257 1 1 . . 2.077 . . 1 . 1 1 30 ARG HB3 . . . . . . . . . . 163 . 18729 9 257 2 1 . . 4.765 . . 1 . 1 1 30 ARG HA . . . . . . . . . . 161 . 18729 9 258 1 1 . . 1.769 . . 1 . 1 1 30 ARG HB2 . . . . . . . . . . 162 . 18729 9 258 2 1 . . 4.767 . . 1 . 1 1 30 ARG HA . . . . . . . . . . 161 . 18729 9 259 1 1 . . 1.761 . . 1 . 1 1 30 ARG HB2 . . . . . . . . . . 162 . 18729 9 259 2 1 . . 2.084 . . 1 . 1 1 30 ARG HB3 . . . . . . . . . . 163 . 18729 9 260 1 1 . . 2.082 . . 1 . 1 1 30 ARG HB3 . . . . . . . . . . 163 . 18729 9 260 2 1 . . 1.772 . . 1 . 1 1 30 ARG HB2 . . . . . . . . . . 162 . 18729 9 261 1 2 . . 3.259 . . 1 . 1 1 30 ARG HD2 . . . . . . . . . . 274 . 18729 9 261 2 1 . . 2.077 . . 1 . 1 1 30 ARG HB3 . . . . . . . . . . 163 . 18729 9 262 1 2 . . 3.260 . . 1 . 1 1 30 ARG HD2 . . . . . . . . . . 274 . 18729 9 262 2 1 . . 1.770 . . 1 . 1 1 30 ARG HB2 . . . . . . . . . . 162 . 18729 9 263 1 1 . . 2.962 . . 1 . 1 1 31 ASN HB3 . . . . . . . . . . 160 . 18729 9 263 2 1 . . 8.690 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 9 264 1 1 . . 2.829 . . 1 . 1 1 31 ASN HB2 . . . . . . . . . . 159 . 18729 9 264 2 1 . . 8.697 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 9 265 1 1 . . 2.940 . . 1 . 1 1 31 ASN HB3 . . . . . . . . . . 160 . 18729 9 265 2 1 . . 4.566 . . 1 . 1 1 31 ASN HA . . . . . . . . . . 158 . 18729 9 266 1 1 . . 2.840 . . 1 . 1 1 31 ASN HB2 . . . . . . . . . . 159 . 18729 9 266 2 1 . . 4.567 . . 1 . 1 1 31 ASN HA . . . . . . . . . . 158 . 18729 9 267 1 1 . . 2.827 . . 1 . 1 1 31 ASN HB2 . . . . . . . . . . 159 . 18729 9 267 2 1 . . 2.960 . . 1 . 1 1 31 ASN HB3 . . . . . . . . . . 160 . 18729 9 268 1 1 . . 2.946 . . 1 . 1 1 31 ASN HB3 . . . . . . . . . . 160 . 18729 9 268 2 1 . . 2.843 . . 1 . 1 1 31 ASN HB2 . . . . . . . . . . 159 . 18729 9 269 1 1 . . 8.692 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 9 269 2 1 . . 2.952 . . 1 . 1 1 31 ASN HB3 . . . . . . . . . . 160 . 18729 9 270 1 1 . . 3.536 . . 1 . 1 1 32 GLY HA3 . . . . . . . . . . 242 . 18729 9 270 2 1 . . 8.420 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 9 271 1 1 . . 3.535 . . 1 . 1 1 32 GLY HA3 . . . . . . . . . . 242 . 18729 9 271 2 1 . . 3.757 . . 1 . 1 1 32 GLY HA2 . . . . . . . . . . 241 . 18729 9 272 1 1 . . 3.762 . . 1 . 1 1 32 GLY HA2 . . . . . . . . . . 241 . 18729 9 272 2 1 . . 3.540 . . 1 . 1 1 32 GLY HA3 . . . . . . . . . . 242 . 18729 9 273 1 1 . . 7.296 . . 1 . 1 1 9 PHE QD . . . . . . . . . . 303 . 18729 9 273 2 1 . . 7.298 . . 1 . 1 1 9 PHE QD . . . . . . . . . . 303 . 18729 9 274 1 1 . . 7.350 . . 1 . 1 1 9 PHE QE . . . . . . . . . . 304 . 18729 9 274 2 1 . . 7.350 . . 1 . 1 1 9 PHE QE . . . . . . . . . . 304 . 18729 9 275 1 1 . . 7.286 . . 1 . 1 1 9 PHE HZ . . . . . . . . . . 305 . 18729 9 275 2 1 . . 7.289 . . 1 . 1 1 9 PHE HZ . . . . . . . . . . 305 . 18729 9 278 1 1 . . 7.553 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 9 278 2 1 . . 7.558 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 9 279 1 1 . . 7.547 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 9 279 2 1 . . 7.229 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 9 280 1 1 . . 7.547 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 9 280 2 1 . . 7.340 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 9 281 1 2 . . 7.347 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 9 281 2 1 . . 7.550 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 9 282 1 1 . . 7.227 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 9 282 2 1 . . 7.564 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 9 283 1 1 . . 7.623 . . 1 . 1 1 19 TRP HE3 . . . . . . . . . . 309 . 18729 9 283 2 1 . . 7.628 . . 1 . 1 1 19 TRP HE3 . . . . . . . . . . 309 . 18729 9 284 1 1 . . 7.609 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 9 284 2 1 . . 7.614 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 9 285 1 1 . . 7.634 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 9 285 2 1 . . 7.638 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 9 286 1 1 . . 7.620 . . 1 . 1 1 19 TRP HE3 . . . . . . . . . . 309 . 18729 9 286 2 1 . . 7.557 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 9 287 1 1 . . 7.555 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 9 287 2 1 . . 7.637 . . 1 . 1 1 19 TRP HE3 . . . . . . . . . . 309 . 18729 9 288 1 1 . . 7.340 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 9 288 2 1 . . 7.340 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 9 289 1 1 . . 7.223 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 9 289 2 1 . . 7.229 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 9 290 1 1 . . 7.347 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 9 290 2 1 . . 7.229 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 9 291 1 1 . . 7.230 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 9 291 2 2 . . 7.348 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 9 292 1 1 . . 7.451 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 9 292 2 1 . . 1.416 . . 1 . 1 1 15 LYS HG2 . . . . . . . . . . 259 . 18729 9 293 1 1 . . 1.914 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 293 2 1 . . 1.411 . . 1 . 1 1 15 LYS HG2 . . . . . . . . . . 259 . 18729 9 294 1 1 . . 1.730 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 294 1 2 . . 1.730 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 294 2 1 . . 1.420 . . 1 . 1 1 15 LYS HG2 . . . . . . . . . . 259 . 18729 9 295 1 1 . . 1.427 . . 1 . 1 1 15 LYS HG2 . . . . . . . . . . 259 . 18729 9 295 2 1 . . 1.735 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 9 295 2 2 . . 1.735 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 9 296 1 1 . . 1.518 . . 1 . 1 1 15 LYS HG3 . . . . . . . . . . 260 . 18729 9 296 2 1 . . 1.824 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 9 297 1 1 . . 1.423 . . 1 . 1 1 15 LYS HG2 . . . . . . . . . . 259 . 18729 9 297 2 1 . . 1.919 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 9 298 1 1 . . 1.415 . . 1 . 1 1 15 LYS HG2 . . . . . . . . . . 259 . 18729 9 298 2 1 . . 3.034 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 9 298 2 2 . . 3.034 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 9 299 1 1 . . 3.032 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 9 299 1 2 . . 3.032 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 9 299 2 1 . . 1.424 . . 1 . 1 1 15 LYS HG2 . . . . . . . . . . 259 . 18729 9 300 1 2 . . 3.301 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 9 300 2 1 . . 1.644 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 9 301 1 1 . . 2.000 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 9 301 2 1 . . 1.844 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 302 1 1 . . 1.842 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 302 2 1 . . 1.998 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 9 303 1 1 . . 1.645 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 9 303 2 1 . . 1.997 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 9 304 1 1 . . 1.644 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 9 304 2 1 . . 1.842 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 305 1 1 . . 1.842 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 305 2 1 . . 1.644 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 9 306 1 1 . . 1.999 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 9 306 2 1 . . 1.644 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 9 307 1 1 . . 9.163 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 9 307 2 1 . . 1.650 . . 1 . 1 1 23 ARG HB2 . . . . . . . . . . 183 . 18729 9 307 2 2 . . 1.650 . . 1 . 1 1 23 ARG HB3 . . . . . . . . . . 184 . 18729 9 308 1 1 . . 1.689 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 9 308 2 1 . . 3.788 . . 1 . 1 1 26 ARG HA . . . . . . . . . . 173 . 18729 9 309 1 1 . . 1.650 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 9 309 2 1 . . 9.297 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 9 310 1 1 . . 1.690 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 9 310 2 2 . . 3.281 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 9 311 1 1 . . 1.689 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 9 311 2 1 . . 1.997 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 9 312 1 1 . . 1.688 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 9 312 2 1 . . 1.843 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 313 1 1 . . 1.843 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 313 2 1 . . 1.688 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 9 314 1 1 . . 1.999 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 9 314 2 1 . . 1.688 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 9 315 1 1 . . 3.293 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 9 315 2 1 . . 1.691 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 9 316 1 1 . . 1.430 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 9 316 2 1 . . 1.140 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 9 317 1 1 . . 1.420 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 9 317 2 1 . . 0.889 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 9 318 1 1 . . 1.413 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 9 318 2 1 . . 0.797 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 9 319 1 1 . . 1.108 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 9 319 2 1 . . 0.795 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 9 320 1 1 . . 1.116 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 9 320 2 1 . . 0.888 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 9 321 1 1 . . 0.883 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 9 321 2 1 . . 1.119 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 9 322 1 1 . . 0.790 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 9 322 2 1 . . 1.115 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 9 323 1 1 . . 1.126 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 9 323 2 1 . . 1.423 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 9 324 1 1 . . 0.888 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 9 324 2 1 . . 1.421 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 9 325 1 1 . . 0.790 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 9 325 2 1 . . 1.409 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 9 326 1 1 . . 1.119 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 9 326 2 1 . . 1.779 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 9 327 1 1 . . 1.439 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 9 327 2 1 . . 1.784 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 9 328 1 1 . . 1.783 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 9 328 2 1 . . 1.434 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 9 329 1 1 . . 0.835 . . 1 . 1 1 11 PRO HG2 . . . . . . . . . . 285 . 18729 9 329 2 1 . . 2.436 . . 1 . 1 1 11 PRO HD2 . . . . . . . . . . 281 . 18729 9 330 1 1 . . 0.844 . . 1 . 1 1 11 PRO HG2 . . . . . . . . . . 285 . 18729 9 330 2 1 . . 2.672 . . 1 . 1 1 11 PRO HD3 . . . . . . . . . . 282 . 18729 9 331 1 1 . . 0.715 . . 1 . 1 1 11 PRO HG3 . . . . . . . . . . 284 . 18729 9 331 2 1 . . 2.439 . . 1 . 1 1 11 PRO HD2 . . . . . . . . . . 281 . 18729 9 332 1 1 . . 0.694 . . 1 . 1 1 11 PRO HG3 . . . . . . . . . . 284 . 18729 9 332 2 1 . . 2.678 . . 1 . 1 1 11 PRO HD3 . . . . . . . . . . 282 . 18729 9 333 1 1 . . 2.082 . . 1 . 1 1 13 PRO HG2 . . . . . . . . . . 253 . 18729 9 333 2 1 . . 3.856 . . 1 . 1 1 13 PRO HD3 . . . . . . . . . . 251 . 18729 9 333 2 2 . . 3.856 . . 1 . 1 1 13 PRO HD2 . . . . . . . . . . 252 . 18729 9 334 1 1 . . 2.082 . . 1 . 1 1 13 PRO HG2 . . . . . . . . . . 253 . 18729 9 334 2 1 . . 4.192 . . 1 . 1 1 13 PRO HA . . . . . . . . . . 208 . 18729 9 335 1 1 . . 3.193 . . 1 . 1 1 30 ARG HD3 . . . . . . . . . . 275 . 18729 9 335 2 1 . . 1.770 . . 1 . 1 1 30 ARG HB2 . . . . . . . . . . 162 . 18729 9 336 1 1 . . 3.271 . . 1 . 1 1 30 ARG HD2 . . . . . . . . . . 274 . 18729 9 336 2 1 . . 3.186 . . 1 . 1 1 30 ARG HD3 . . . . . . . . . . 275 . 18729 9 337 1 1 . . 3.170 . . 1 . 1 1 30 ARG HD3 . . . . . . . . . . 275 . 18729 9 337 2 1 . . 3.284 . . 1 . 1 1 30 ARG HD2 . . . . . . . . . . 274 . 18729 9 338 1 1 . . 3.194 . . 1 . 1 1 30 ARG HD3 . . . . . . . . . . 275 . 18729 9 338 2 1 . . 2.077 . . 1 . 1 1 30 ARG HB3 . . . . . . . . . . 163 . 18729 9 339 1 1 . . 3.238 . . 1 . 1 1 26 ARG HD2 . . . . . . . . . . 270 . 18729 9 339 2 1 . . 2.006 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 9 340 1 2 . . 3.223 . . 1 . 1 1 26 ARG HD2 . . . . . . . . . . 270 . 18729 9 340 2 1 . . 1.838 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 341 1 1 . . 3.220 . . 1 . 1 1 26 ARG HD2 . . . . . . . . . . 270 . 18729 9 341 2 1 . . 1.681 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 9 342 1 1 . . 3.222 . . 1 . 1 1 26 ARG HD2 . . . . . . . . . . 270 . 18729 9 342 2 1 . . 1.639 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 9 343 1 1 . . 1.836 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 9 343 2 1 . . 3.223 . . 1 . 1 1 26 ARG HD2 . . . . . . . . . . 270 . 18729 9 344 1 1 . . 1.683 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 9 344 2 1 . . 3.223 . . 1 . 1 1 26 ARG HD2 . . . . . . . . . . 270 . 18729 9 345 1 1 . . 1.639 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 9 345 2 1 . . 3.221 . . 1 . 1 1 26 ARG HD2 . . . . . . . . . . 270 . 18729 9 346 1 1 . . 3.223 . . 1 . 1 1 26 ARG HD2 . . . . . . . . . . 270 . 18729 9 346 2 1 . . 3.785 . . 1 . 1 1 26 ARG HA . . . . . . . . . . 173 . 18729 9 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10 _Spectral_peak_list.Entry_ID 18729 _Spectral_peak_list.ID 10 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _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 . . H 1 1H . . 10000.00000000 . . . . . . . 18729 10 2 . . H 1 1H . . 8333.33333333 . . . . . . . 18729 10 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 10 2 1.0 . . 18729 10 3 1.0 . . 18729 10 4 1.0 . . 18729 10 5 1.0 . . 18729 10 6 1.0 . . 18729 10 7 1.0 . . 18729 10 8 1.0 . . 18729 10 9 1.0 . . 18729 10 10 1.0 . . 18729 10 11 1.0 . . 18729 10 12 1.0 . . 18729 10 13 1.0 . . 18729 10 14 1.0 . . 18729 10 15 1.0 . . 18729 10 16 1.0 . . 18729 10 17 1.0 . . 18729 10 18 1.0 . . 18729 10 19 1.0 . . 18729 10 20 1.0 . . 18729 10 21 1.0 . . 18729 10 22 1.0 . . 18729 10 23 1.0 . . 18729 10 24 1.0 . . 18729 10 25 1.0 . . 18729 10 26 1.0 . . 18729 10 27 1.0 . . 18729 10 28 1.0 . . 18729 10 29 1.0 . . 18729 10 30 1.0 . . 18729 10 31 1.0 . . 18729 10 32 1.0 . . 18729 10 33 1.0 . . 18729 10 34 1.0 . . 18729 10 35 1.0 . . 18729 10 36 1.0 . . 18729 10 37 1.0 . . 18729 10 38 1.0 . . 18729 10 39 1.0 . . 18729 10 40 1.0 . . 18729 10 41 1.0 . . 18729 10 42 1.0 . . 18729 10 43 1.0 . . 18729 10 44 1.0 . . 18729 10 45 1.0 . . 18729 10 46 1.0 . . 18729 10 47 1.0 . . 18729 10 48 1.0 . . 18729 10 49 1.0 . . 18729 10 50 1.0 . . 18729 10 51 1.0 . . 18729 10 52 1.0 . . 18729 10 53 1.0 . . 18729 10 54 1.0 . . 18729 10 55 1.0 . . 18729 10 56 1.0 . . 18729 10 57 1.0 . . 18729 10 58 1.0 . . 18729 10 59 1.0 . . 18729 10 60 1.0 . . 18729 10 61 1.0 . . 18729 10 62 1.0 . . 18729 10 63 1.0 . . 18729 10 64 1.0 . . 18729 10 65 1.0 . . 18729 10 66 1.0 . . 18729 10 67 1.0 . . 18729 10 68 1.0 . . 18729 10 69 1.0 . . 18729 10 70 1.0 . . 18729 10 71 1.0 . . 18729 10 72 1.0 . . 18729 10 73 1.0 . . 18729 10 74 1.0 . . 18729 10 75 1.0 . . 18729 10 76 1.0 . . 18729 10 77 1.0 . . 18729 10 78 1.0 . . 18729 10 79 1.0 . . 18729 10 80 1.0 . . 18729 10 81 1.0 . . 18729 10 82 1.0 . . 18729 10 83 1.0 . . 18729 10 84 1.0 . . 18729 10 85 1.0 . . 18729 10 86 1.0 . . 18729 10 87 1.0 . . 18729 10 88 1.0 . . 18729 10 89 1.0 . . 18729 10 90 1.0 . . 18729 10 91 1.0 . . 18729 10 92 1.0 . . 18729 10 93 1.0 . . 18729 10 94 1.0 . . 18729 10 95 1.0 . . 18729 10 96 1.0 . . 18729 10 97 1.0 . . 18729 10 98 1.0 . . 18729 10 99 1.0 . . 18729 10 100 1.0 . . 18729 10 101 1.0 . . 18729 10 102 1.0 . . 18729 10 103 1.0 . . 18729 10 104 1.0 . . 18729 10 105 1.0 . . 18729 10 106 1.0 . . 18729 10 107 1.0 . . 18729 10 108 1.0 . . 18729 10 109 1.0 . . 18729 10 110 1.0 . . 18729 10 111 1.0 . . 18729 10 112 1.0 . . 18729 10 113 1.0 . . 18729 10 114 1.0 . . 18729 10 115 1.0 . . 18729 10 116 1.0 . . 18729 10 117 1.0 . . 18729 10 118 1.0 . . 18729 10 119 1.0 . . 18729 10 120 1.0 . . 18729 10 121 1.0 . . 18729 10 122 1.0 . . 18729 10 123 1.0 . . 18729 10 124 1.0 . . 18729 10 125 1.0 . . 18729 10 126 1.0 . . 18729 10 127 1.0 . . 18729 10 128 1.0 . . 18729 10 129 1.0 . . 18729 10 130 1.0 . . 18729 10 131 1.0 . . 18729 10 132 1.0 . . 18729 10 133 1.0 . . 18729 10 134 1.0 . . 18729 10 135 1.0 . . 18729 10 136 1.0 . . 18729 10 137 1.0 . . 18729 10 138 1.0 . . 18729 10 139 1.0 . . 18729 10 140 1.0 . . 18729 10 141 1.0 . . 18729 10 142 1.0 . . 18729 10 143 1.0 . . 18729 10 144 1.0 . . 18729 10 145 1.0 . . 18729 10 146 1.0 . . 18729 10 147 1.0 . . 18729 10 148 1.0 . . 18729 10 149 1.0 . . 18729 10 150 1.0 . . 18729 10 151 1.0 . . 18729 10 152 1.0 . . 18729 10 153 1.0 . . 18729 10 154 1.0 . . 18729 10 155 1.0 . . 18729 10 156 1.0 . . 18729 10 157 1.0 . . 18729 10 158 1.0 . . 18729 10 159 1.0 . . 18729 10 160 1.0 . . 18729 10 161 1.0 . . 18729 10 162 1.0 . . 18729 10 163 1.0 . . 18729 10 164 1.0 . . 18729 10 165 1.0 . . 18729 10 166 1.0 . . 18729 10 167 1.0 . . 18729 10 168 1.0 . . 18729 10 169 1.0 . . 18729 10 170 1.0 . . 18729 10 171 1.0 . . 18729 10 172 1.0 . . 18729 10 173 1.0 . . 18729 10 174 1.0 . . 18729 10 175 1.0 . . 18729 10 176 1.0 . . 18729 10 177 1.0 . . 18729 10 178 1.0 . . 18729 10 179 1.0 . . 18729 10 180 1.0 . . 18729 10 181 1.0 . . 18729 10 182 1.0 . . 18729 10 183 1.0 . . 18729 10 184 1.0 . . 18729 10 185 1.0 . . 18729 10 186 1.0 . . 18729 10 187 1.0 . . 18729 10 188 1.0 . . 18729 10 189 1.0 . . 18729 10 190 1.0 . . 18729 10 191 1.0 . . 18729 10 192 1.0 . . 18729 10 193 1.0 . . 18729 10 194 1.0 . . 18729 10 195 1.0 . . 18729 10 196 1.0 . . 18729 10 197 1.0 . . 18729 10 198 1.0 . . 18729 10 199 1.0 . . 18729 10 200 1.0 . . 18729 10 201 1.0 . . 18729 10 202 1.0 . . 18729 10 203 1.0 . . 18729 10 204 1.0 . . 18729 10 205 1.0 . . 18729 10 206 1.0 . . 18729 10 207 1.0 . . 18729 10 208 1.0 . . 18729 10 209 1.0 . . 18729 10 210 1.0 . . 18729 10 211 1.0 . . 18729 10 212 1.0 . . 18729 10 213 1.0 . . 18729 10 214 1.0 . . 18729 10 215 1.0 . . 18729 10 216 1.0 . . 18729 10 217 1.0 . . 18729 10 218 1.0 . . 18729 10 219 1.0 . . 18729 10 220 1.0 . . 18729 10 221 1.0 . . 18729 10 222 1.0 . . 18729 10 223 1.0 . . 18729 10 224 1.0 . . 18729 10 225 1.0 . . 18729 10 226 1.0 . . 18729 10 227 1.0 . . 18729 10 228 1.0 . . 18729 10 229 1.0 . . 18729 10 230 1.0 . . 18729 10 231 1.0 . . 18729 10 232 1.0 . . 18729 10 233 1.0 . . 18729 10 234 1.0 . . 18729 10 235 1.0 . . 18729 10 236 1.0 . . 18729 10 237 1.0 . . 18729 10 238 1.0 . . 18729 10 239 1.0 . . 18729 10 240 1.0 . . 18729 10 241 1.0 . . 18729 10 242 1.0 . . 18729 10 243 1.0 . . 18729 10 244 1.0 . . 18729 10 245 1.0 . . 18729 10 246 1.0 . . 18729 10 247 1.0 . . 18729 10 248 1.0 . . 18729 10 249 1.0 . . 18729 10 250 1.0 . . 18729 10 251 1.0 . . 18729 10 252 1.0 . . 18729 10 253 1.0 . . 18729 10 254 1.0 . . 18729 10 255 1.0 . . 18729 10 256 1.0 . . 18729 10 257 1.0 . . 18729 10 258 1.0 . . 18729 10 259 1.0 . . 18729 10 260 1.0 . . 18729 10 261 1.0 . . 18729 10 262 1.0 . . 18729 10 263 1.0 . . 18729 10 264 1.0 . . 18729 10 265 1.0 . . 18729 10 266 1.0 . . 18729 10 267 1.0 . . 18729 10 268 1.0 . . 18729 10 269 1.0 . . 18729 10 270 1.0 . . 18729 10 271 1.0 . . 18729 10 272 1.0 . . 18729 10 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 2104156.0 . height 18729 10 1 15915648.0 . volume 18729 10 2 2170970.0 . height 18729 10 2 16039142.0 . volume 18729 10 3 510374.0 . height 18729 10 3 4186718.0 . volume 18729 10 4 510198.0 . height 18729 10 4 4198856.0 . volume 18729 10 5 357804.0 . height 18729 10 5 3048252.0 . volume 18729 10 6 511750.0 . height 18729 10 6 4188282.0 . volume 18729 10 7 237914.0 . height 18729 10 7 1904794.0 . volume 18729 10 8 223522.0 . height 18729 10 8 1809984.0 . volume 18729 10 9 148600.0 . height 18729 10 9 1200634.0 . volume 18729 10 10 317766.0 . height 18729 10 10 2464136.0 . volume 18729 10 11 223598.0 . height 18729 10 11 1651650.0 . volume 18729 10 12 722852.0 . height 18729 10 12 5767858.0 . volume 18729 10 13 745164.0 . height 18729 10 13 5767600.0 . volume 18729 10 14 10726778.0 . height 18729 10 14 77038756.0 . volume 18729 10 15 4590624.0 . height 18729 10 15 37555450.0 . volume 18729 10 16 4547956.0 . height 18729 10 16 36615458.0 . volume 18729 10 17 3147176.0 . height 18729 10 17 25264782.0 . volume 18729 10 18 375174.0 . height 18729 10 18 2731206.0 . volume 18729 10 19 383844.0 . height 18729 10 19 2812770.0 . volume 18729 10 20 182708.0 . height 18729 10 20 1407438.0 . volume 18729 10 21 195412.0 . height 18729 10 21 1557022.0 . volume 18729 10 22 195970.0 . height 18729 10 22 1486638.0 . volume 18729 10 23 234524.0 . height 18729 10 23 1751118.0 . volume 18729 10 24 206284.0 . height 18729 10 24 1632614.0 . volume 18729 10 25 266718.0 . height 18729 10 25 2106320.0 . volume 18729 10 26 412026.0 . height 18729 10 26 3331270.0 . volume 18729 10 27 3490638.0 . height 18729 10 27 30171080.0 . volume 18729 10 28 7072380.0 . height 18729 10 28 53141794.0 . volume 18729 10 29 6253900.0 . height 18729 10 29 47854734.0 . volume 18729 10 30 6495976.0 . height 18729 10 30 51540220.0 . volume 18729 10 31 374704.0 . height 18729 10 31 3053726.0 . volume 18729 10 32 12245606.0 . height 18729 10 32 94019854.0 . volume 18729 10 33 14007382.0 . height 18729 10 33 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46342736.0 . volume 18729 10 50 14214902.0 . height 18729 10 50 113631658.0 . volume 18729 10 51 6335044.0 . height 18729 10 51 53396606.0 . volume 18729 10 52 828156.0 . height 18729 10 52 5675696.0 . volume 18729 10 53 351340.0 . height 18729 10 53 2814694.0 . volume 18729 10 54 369510.0 . height 18729 10 54 2903314.0 . volume 18729 10 55 12149738.0 . height 18729 10 55 96459428.0 . volume 18729 10 56 13212442.0 . height 18729 10 56 104428052.0 . volume 18729 10 57 401844.0 . height 18729 10 57 3391112.0 . volume 18729 10 58 252544.0 . height 18729 10 58 1993880.0 . volume 18729 10 59 200092.0 . height 18729 10 59 1479482.0 . volume 18729 10 60 260224.0 . height 18729 10 60 2043876.0 . volume 18729 10 61 5232336.0 . height 18729 10 61 43936062.0 . volume 18729 10 62 8046448.0 . height 18729 10 62 64681162.0 . volume 18729 10 63 392150.0 . height 18729 10 63 3105404.0 . volume 18729 10 64 177470.0 . height 18729 10 64 1379578.0 . volume 18729 10 65 256438.0 . height 18729 10 65 2018484.0 . volume 18729 10 66 198920.0 . height 18729 10 66 1505992.0 . volume 18729 10 67 489724.0 . height 18729 10 67 3824374.0 . volume 18729 10 68 210774.0 . height 18729 10 68 1580458.0 . volume 18729 10 69 17060782.0 . height 18729 10 69 128110746.0 . volume 18729 10 70 1310156.0 . height 18729 10 70 9940380.0 . volume 18729 10 71 2494224.0 . height 18729 10 71 18467782.0 . volume 18729 10 72 2601808.0 . height 18729 10 72 18930044.0 . volume 18729 10 73 1263338.0 . height 18729 10 73 9184016.0 . volume 18729 10 74 11721384.0 . height 18729 10 74 90847414.0 . volume 18729 10 75 8787394.0 . height 18729 10 75 70657440.0 . volume 18729 10 76 11032124.0 . height 18729 10 76 88291366.0 . volume 18729 10 77 271212.0 . height 18729 10 77 2152266.0 . volume 18729 10 78 188668.0 . height 18729 10 78 1500968.0 . volume 18729 10 79 304152.0 . height 18729 10 79 2209442.0 . volume 18729 10 80 270670.0 . height 18729 10 80 2137032.0 . volume 18729 10 81 264028.0 . height 18729 10 81 2185200.0 . volume 18729 10 82 203612.0 . height 18729 10 82 1596048.0 . volume 18729 10 83 242152.0 . height 18729 10 83 1767138.0 . volume 18729 10 84 9427782.0 . height 18729 10 84 75744198.0 . volume 18729 10 85 7950340.0 . height 18729 10 85 63611546.0 . volume 18729 10 86 11505358.0 . height 18729 10 86 88035120.0 . volume 18729 10 87 181648.0 . height 18729 10 87 1363502.0 . volume 18729 10 88 190308.0 . height 18729 10 88 1499968.0 . volume 18729 10 89 295458.0 . height 18729 10 89 2236134.0 . volume 18729 10 90 213330.0 . height 18729 10 90 1646240.0 . volume 18729 10 91 285596.0 . height 18729 10 91 2329594.0 . volume 18729 10 92 9210188.0 . height 18729 10 92 75148158.0 . volume 18729 10 93 15245924.0 . height 18729 10 93 120991610.0 . volume 18729 10 94 9529380.0 . height 18729 10 94 73140188.0 . volume 18729 10 95 10831168.0 . height 18729 10 95 83195620.0 . volume 18729 10 96 487306.0 . height 18729 10 96 4059450.0 . volume 18729 10 97 470326.0 . height 18729 10 97 3758318.0 . volume 18729 10 98 660044.0 . height 18729 10 98 5291900.0 . volume 18729 10 99 517536.0 . height 18729 10 99 4261076.0 . volume 18729 10 100 400344.0 . height 18729 10 100 3446072.0 . volume 18729 10 101 407520.0 . height 18729 10 101 3390420.0 . volume 18729 10 102 711870.0 . height 18729 10 102 5758544.0 . volume 18729 10 103 544532.0 . height 18729 10 103 4576374.0 . volume 18729 10 104 440124.0 . height 18729 10 104 3788078.0 . volume 18729 10 105 592238.0 . height 18729 10 105 4738812.0 . volume 18729 10 106 571854.0 . height 18729 10 106 4625196.0 . volume 18729 10 107 350026.0 . height 18729 10 107 2848194.0 . volume 18729 10 108 570790.0 . height 18729 10 108 4717358.0 . volume 18729 10 109 399802.0 . height 18729 10 109 3310618.0 . volume 18729 10 110 356388.0 . height 18729 10 110 2812036.0 . volume 18729 10 111 296002.0 . height 18729 10 111 2556614.0 . volume 18729 10 112 752186.0 . height 18729 10 112 6507766.0 . volume 18729 10 113 586312.0 . height 18729 10 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18729 10 82 1 9.447 . 16.18996262550 . . . . . . . . . . 1 18729 10 82 2 8.227 . 20.77470223110 . . . . . . . . . . 1 18729 10 83 1 9.565 . 14.91203904150 . . . . . . . . . . 1 18729 10 83 2 8.329 . 12.94786731400 . . . . . . . . . . 1 18729 10 84 1 7.662 . 18.09537410740 . . . . . . . . . . 1 18729 10 84 2 7.661 . 18.81048083310 . . . . . . . . . . 1 18729 10 85 1 7.644 . 21.66867256160 . . . . . . . . . . 1 18729 10 85 2 7.643 . 19.24037933350 . . . . . . . . . . 1 18729 10 86 1 7.622 . 14.61207866670 . . . . . . . . . . 1 18729 10 86 2 7.622 . 17.33054717380 . . . . . . . . . . 1 18729 10 87 1 7.668 . 13.37379217150 . . . . . . . . . . 1 18729 10 87 2 4.195 . 18.45806837080 . . . . . . . . . . 1 18729 10 88 1 7.620 . 12.14116811750 . . . . . . . . . . 1 18729 10 88 2 2.762 . 24.45975939430 . . . . . . . . . . 1 18729 10 89 1 7.457 . 14.15222883220 . . . . . . . . . . 1 18729 10 89 2 7.934 . 15.05364974340 . . . . . . . . . . 1 18729 10 90 1 7.459 . 22.37707376480 . . . . . . . . . . 1 18729 10 90 2 8.746 . 15.81273972990 . . . . . . . . . . 1 18729 10 91 1 6.946 . 17.52108335490 . . . . . . . . . . 1 18729 10 91 2 4.716 . 26.03083848950 . . . . . . . . . . 1 18729 10 92 1 7.453 . 17.81970262530 . . . . . . . . . . 1 18729 10 92 2 7.455 . 22.23129073780 . . . . . . . . . . 1 18729 10 93 1 6.936 . 16.81715250020 . . . . . . . . . . 1 18729 10 93 2 6.935 . 18.23479930560 . . . . . . . . . . 1 18729 10 94 1 6.854 . 14.43803310390 . . . . . . . . . . 1 18729 10 94 2 6.854 . 16.75461729370 . . . . . . . . . . 1 18729 10 95 1 6.886 . 14.19425010680 . . . . . . . . . . 1 18729 10 95 2 6.886 . 16.89965526260 . . . . . . . . . . 1 18729 10 129 1 8.258 . 10.28269529340 . . . . . . . . . . 1 18729 10 129 2 3.106 . 18.46651236220 . . . . . . . . . . 1 18729 10 130 1 2.136 . 19.88351345060 . . . . . . . . . . 1 18729 10 130 2 8.811 . 14.11202053230 . . . . . . . . . . 1 18729 10 132 1 8.815 . 11.70009374620 . . . . . . . . . . 1 18729 10 132 2 3.979 . 15.88612794880 . . . . . . . . . . 1 18729 10 133 1 8.999 . 10.54376363750 . . . . . . . . . . 1 18729 10 133 2 2.023 . 33.82911284760 . . . . . . . . . . 1 18729 10 134 1 8.998 . 10.61707735060 . . . . . . . . . . 1 18729 10 134 2 2.218 . 41.17637872700 . . . . . . . . . . 1 18729 10 135 1 2.356 . 14.00709152220 . . . . . . . . . . 1 18729 10 135 2 9.005 . 15.61455428600 . . . . . . . . . . 1 18729 10 136 1 2.200 . 24.53625202180 . . . . . . . . . . 1 18729 10 136 2 8.997 . 25.06213883560 . . . . . . . . . . 1 18729 10 137 1 2.025 . 22.46439456940 . . . . . . . . . . 1 18729 10 137 2 9.002 . 15.54476718110 . . . . . . . . . . 1 18729 10 141 1 9.002 . 12.88861036300 . . . . . . . . . . 1 18729 10 141 2 4.095 . 17.40803321200 . . . . . . . . . . 1 18729 10 144 1 8.706 . 16.62969589230 . . . . . . . . . . 1 18729 10 144 2 2.857 . 37.91203101480 . . . . . . . . . . 1 18729 10 145 1 8.705 . 10.68234443660 . . . . . . . . . . 1 18729 10 145 2 2.213 . 29.01454766590 . . . . . . . . . . 1 18729 10 146 1 8.713 . 10.09672880170 . . . . . . . . . . 1 18729 10 146 2 1.671 . 15.64373572670 . . . . . . . . . . 1 18729 10 147 1 2.861 . 19.45674419400 . . . . . . . . . . 1 18729 10 147 2 7.622 . 18.60583821930 . . . . . . . . . . 1 18729 10 148 1 2.765 . 30.26187419890 . . . . . . . . . . 1 18729 10 148 2 7.624 . 20.78637480740 . . . . . . . . . . 1 18729 10 149 1 2.855 . 19.91331577300 . . . . . . . . . . 1 18729 10 149 2 8.709 . 15.99291960400 . . . . . . . . . . 1 18729 10 150 1 2.761 . 25.28607845310 . . . . . . . . . . 1 18729 10 150 2 8.712 . 16.03824396930 . . . . . . . . . . 1 18729 10 151 1 2.848 . 24.97613430020 . . . . . . . . . . 1 18729 10 151 2 8.437 . 15.19011954470 . . . . . . . . . . 1 18729 10 152 1 9.560 . 12.34650611880 . . . . . . . . . . 1 18729 10 152 2 4.505 . 23.75344435370 . . . . . . . . . . 1 18729 10 153 1 3.586 . 13.58926296230 . . . . . . . . . . 1 18729 10 153 2 8.324 . 16.73462490240 . . . . . . . . . . 1 18729 10 154 1 8.325 . 18.05573701860 . . . . . . . . . . 1 18729 10 154 2 4.310 . 16.47373040520 . . . . . . . . . . 1 18729 10 157 1 8.434 . 13.20213079450 . . . . . . . . . . 1 18729 10 157 2 3.560 . 44.11588112510 . . . . . . . . . . 1 18729 10 158 1 3.378 . 32.97030925750 . . . . . . . . . . 1 18729 10 158 2 8.431 . 12.45674987630 . . . . . . . . . . 1 18729 10 159 1 2.591 . 25.16031265260 . . . . . . . . . . 1 18729 10 159 2 8.124 . 21.24284704530 . . . . . . . . . . 1 18729 10 166 1 6.936 . 11.05517148970 . . . . . . . . . . 1 18729 10 166 2 2.951 . 17.48452583950 . . . . . . . . . . 1 18729 10 187 1 2.074 . 22.60923385620 . . . . . . . . . . 1 18729 10 187 2 8.740 . 12.39950458210 . . . . . . . . . . 1 18729 10 193 1 7.452 . 10.65433025360 . . . . . . . . . . 1 18729 10 193 2 4.416 . 15.23246367770 . . . . . . . . . . 1 18729 10 194 1 7.928 . 10.72287559510 . . . . . . . . . . 1 18729 10 194 2 4.803 . 16.79360866550 . . . . . . . . . . 1 18729 10 195 1 1.759 . 14.37127590180 . . . . . . . . . . 1 18729 10 195 2 7.933 . 14.99156157180 . . . . . . . . . . 1 18729 10 200 1 8.609 . 14.42551612850 . . . . . . . . . . 1 18729 10 200 2 2.344 . 22.65870571140 . . . . . . . . . . 1 18729 10 201 1 8.611 . 18.31203699110 . . . . . . . . . . 1 18729 10 201 2 3.813 . 27.02871958410 . . . . . . . . . . 1 18729 10 202 1 2.389 . 25.90537071230 . . . . . . . . . . 1 18729 10 202 2 8.604 . 13.06198537350 . . . . . . . . . . 1 18729 10 203 1 8.225 . 11.99811697010 . . . . . . . . . . 1 18729 10 203 2 3.032 . 22.36862977350 . . . . . . . . . . 1 18729 10 204 1 8.225 . 17.38399267200 . . . . . . . . . . 1 18729 10 204 2 4.883 . 26.88740690550 . . . . . . . . . . 1 18729 10 211 1 2.700 . 20.13385295870 . . . . . . . . . . 1 18729 10 211 2 9.448 . 15.02198477590 . . . . . . . . . . 1 18729 10 213 1 9.264 . 20.09004354480 . . . . . . . . . . 1 18729 10 213 2 3.272 . 28.75278393430 . . . . . . . . . . 1 18729 10 214 1 2.747 . 14.58883285520 . . . . . . . . . . 1 18729 10 214 2 9.260 . 15.54166277250 . . . . . . . . . . 1 18729 10 215 1 8.887 . 26.73506736760 . . . . . . . . . . 1 18729 10 215 2 3.818 . 20.07633447650 . . . . . . . . . . 1 18729 10 216 1 8.878 . 16.08312129970 . . . . . . . . . . 1 18729 10 216 2 3.044 . 26.18332703910 . . . . . . . . . . 1 18729 10 217 1 8.995 . 14.19454813000 . . . . . . . . . . 1 18729 10 217 2 1.206 . 13.86900742850 . . . . . . . . . . 1 18729 10 218 1 0.984 . 14.59121704100 . . . . . . . . . . 1 18729 10 218 2 9.262 . 15.44641951720 . . . . . . . . . . 1 18729 10 221 1 9.152 . 17.75339245800 . . . . . . . . . . 1 18729 10 221 2 1.652 . 21.01957798000 . . . . . . . . . . 1 18729 10 222 1 10.614 . 15.62938094140 . . . . . . . . . . 1 18729 10 222 2 4.857 . 24.10337328910 . . . . . . . . . . 1 18729 10 223 1 10.617 . 15.06239175800 . . . . . . . . . . 1 18729 10 223 2 3.444 . 19.04616753260 . . . . . . . . . . 1 18729 10 224 1 2.705 . 39.19720649720 . . . . . . . . . . 1 18729 10 224 2 10.614 . 13.71676723160 . . . . . . . . . . 1 18729 10 225 1 3.456 . 21.15309238430 . . . . . . . . . . 1 18729 10 225 2 10.616 . 16.46137485900 . . . . . . . . . . 1 18729 10 226 1 1.795 . 20.19226551060 . . . . . . . . . . 1 18729 10 226 2 8.744 . 26.08212331930 . . . . . . . . . . 1 18729 10 232 1 8.762 . 31.05342388150 . . . . . . . . . . 1 18729 10 232 2 1.792 . 33.57529640200 . . . . . . . . . . 1 18729 10 233 1 7.863 . 16.90477132800 . . . . . . . . . . 1 18729 10 233 2 8.763 . 17.23493138950 . . . . . . . . . . 1 18729 10 234 1 8.764 . 19.40846443180 . . . . . . . . . . 1 18729 10 234 2 7.870 . 17.95738935470 . . . . . . . . . . 1 18729 10 240 1 3.290 . 16.32988452910 . . . . . . . . . . 1 18729 10 240 2 7.999 . 21.01063728330 . . . . . . . . . . 1 18729 10 241 1 2.907 . 10.42366027830 . . . . . . . . . . 1 18729 10 241 2 7.999 . 16.38904213910 . . . . . . . . . . 1 18729 10 242 1 7.876 . 11.80142164230 . . . . . . . . . . 1 18729 10 242 2 1.929 . 18.23057730990 . . . . . . . . . . 1 18729 10 243 1 7.879 . 9.78261232376 . . . . . . . . . . 1 18729 10 243 2 1.849 . 15.78927040100 . . . . . . . . . . 1 18729 10 244 1 7.865 . 11.00629568100 . . . . . . . . . . 1 18729 10 244 2 5.042 . 16.97863141700 . . . . . . . . . . 1 18729 10 245 1 1.919 . 12.32504844670 . . . . . . . . . . 1 18729 10 245 2 7.870 . 19.37473813690 . . . . . . . . . . 1 18729 10 250 1 8.995 . 10.93536615370 . . . . . . . . . . 1 18729 10 250 2 5.264 . 13.49026958150 . . . . . . . . . . 1 18729 10 251 1 2.779 . 20.14279365540 . . . . . . . . . . 1 18729 10 251 2 8.989 . 19.32544012860 . . . . . . . . . . 1 18729 10 253 1 2.082 . 7.73489475250 . . . . . . . . . . 1 18729 10 253 2 9.610 . 17.33899116520 . . . . . . . . . . 1 18729 10 260 1 7.296 . 12.84837722780 . . . . . . . . . . 1 18729 10 260 2 2.868 . 26.90404653550 . . . . . . . . . . 1 18729 10 261 1 7.297 . 17.55684614180 . . . . . . . . . . 1 18729 10 261 2 3.377 . 15.47038555150 . . . . . . . . . . 1 18729 10 262 1 7.627 . 17.07226037980 . . . . . . . . . . 1 18729 10 262 2 7.505 . 18.41907699900 . . . . . . . . . . 1 18729 10 263 1 7.558 . 11.79337501530 . . . . . . . . . . 1 18729 10 263 2 7.343 . 21.94344997410 . . . . . . . . . . 1 18729 10 264 1 7.346 . 15.88225364690 . . . . . . . . . . 1 18729 10 264 2 7.557 . 21.68069283170 . . . . . . . . . . 1 18729 10 265 1 7.351 . 20.08497715000 . . . . . . . . . . 1 18729 10 265 2 7.222 . 39.53228394190 . . . . . . . . . . 1 18729 10 266 1 7.237 . 22.70042896270 . . . . . . . . . . 1 18729 10 266 2 7.363 . 28.02858750030 . . . . . . . . . . 1 18729 10 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 7.995 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10 1 2 1 . . 6.852 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 10 2 1 1 . . 6.853 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 10 2 2 1 . . 7.994 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10 4 1 1 . . 8.994 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 4 1 2 . . 8.994 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10 5 1 1 . . 9.622 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10 6 1 1 . . 9.565 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10 7 1 1 . . 9.563 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10 8 1 1 . . 9.616 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10 9 1 1 . . 10.617 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10 10 1 1 . . 9.450 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10 11 1 1 . . 9.445 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10 12 1 1 . . 8.997 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 12 2 2 . . 3.979 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 10 13 1 1 . . 8.709 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10 13 1 2 . . 8.709 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10 14 1 1 . . 9.816 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 10 14 2 1 . . 9.816 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 10 15 1 1 . . 9.618 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10 15 2 1 . . 9.619 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10 16 1 1 . . 9.567 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10 16 2 1 . . 9.568 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10 17 1 1 . . 10.615 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10 17 2 1 . . 10.616 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10 18 1 1 . . 9.815 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 10 18 2 1 . . 6.885 . . 1 . 1 1 19 TRP HD1 . . . . . . . . . . 300 . 18729 10 19 1 1 . . 6.888 . . 1 . 1 1 19 TRP HD1 . . . . . . . . . . 300 . 18729 10 19 2 1 . . 9.816 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 10 20 1 1 . . 9.815 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 10 21 2 1 . . 9.619 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10 22 1 1 . . 9.267 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10 22 1 2 . . 9.267 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10 23 1 1 . . 9.260 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10 24 1 1 . . 9.280 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10 25 1 1 . . 9.278 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10 26 1 1 . . 8.764 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10 27 1 1 . . 9.272 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10 27 2 1 . . 9.273 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10 28 1 1 . . 9.261 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10 28 2 1 . . 9.261 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10 29 1 1 . . 9.447 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10 29 2 1 . . 9.448 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10 30 1 1 . . 9.149 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 10 30 2 1 . . 9.151 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 10 31 1 1 . . 9.150 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 10 32 1 1 . . 9.001 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 32 2 1 . . 9.000 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 33 1 1 . . 8.991 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10 33 2 1 . . 8.992 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10 34 1 1 . . 8.993 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10 34 1 2 . . 8.993 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 35 1 1 . . 8.881 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 10 35 2 1 . . 8.881 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 10 36 1 1 . . 8.811 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10 36 2 1 . . 8.812 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10 37 1 1 . . 8.765 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10 37 2 1 . . 8.768 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10 38 1 1 . . 8.741 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10 38 2 1 . . 8.741 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10 39 1 1 . . 8.739 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10 39 2 1 . . 7.451 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10 40 1 1 . . 8.740 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10 41 1 1 . . 8.810 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10 41 2 1 . . 2.145 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 10 42 1 1 . . 8.810 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10 42 2 1 . . 0.978 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 10 43 1 1 . . 8.812 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10 44 1 1 . . 8.707 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10 44 2 1 . . 8.707 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10 45 1 1 . . 8.694 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10 45 2 1 . . 8.695 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10 46 1 1 . . 8.695 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10 46 1 2 . . 8.695 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10 47 1 1 . . 8.694 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10 47 1 2 . . 8.694 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10 48 1 1 . . 8.709 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10 48 1 2 . . 8.709 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10 49 1 1 . . 8.609 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 10 49 2 1 . . 8.609 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 10 50 1 1 . . 8.426 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10 50 2 1 . . 8.429 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10 51 1 1 . . 8.412 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10 51 2 1 . . 8.410 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10 52 1 1 . . 8.429 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10 52 1 2 . . 8.429 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10 53 1 1 . . 8.434 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10 53 1 2 . . 8.434 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10 54 1 1 . . 8.432 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10 54 1 2 . . 8.432 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10 55 1 1 . . 8.328 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10 55 2 1 . . 8.328 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10 56 1 1 . . 8.373 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 10 56 2 1 . . 8.372 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 10 57 1 1 . . 8.373 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 10 58 1 1 . . 8.368 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 10 59 1 1 . . 8.331 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10 60 1 1 . . 8.322 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10 61 1 2 . . 8.262 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 10 61 2 1 . . 8.262 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 10 62 1 1 . . 8.225 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 10 62 2 1 . . 8.224 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 10 63 1 1 . . 8.263 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 10 64 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10 65 1 1 . . 8.123 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10 66 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10 67 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10 68 1 1 . . 8.125 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10 69 1 1 . . 8.123 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10 69 2 1 . . 8.123 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10 70 1 1 . . 7.023 . . 1 . 1 1 31 ASN HD22 . . . . . . . . . . 67 . 18729 10 70 2 1 . . 7.643 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 10 71 1 1 . . 7.034 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 10 71 2 1 . . 7.620 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10 72 1 1 . . 7.619 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10 72 2 1 . . 7.034 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 10 73 1 1 . . 7.645 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 10 73 2 1 . . 7.021 . . 1 . 1 1 31 ASN HD22 . . . . . . . . . . 67 . 18729 10 74 1 1 . . 7.995 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10 74 2 1 . . 7.993 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10 75 1 1 . . 7.932 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10 75 2 1 . . 7.932 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10 76 1 1 . . 7.873 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10 76 2 1 . . 7.874 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10 77 1 1 . . 7.994 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10 78 1 1 . . 7.997 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10 79 1 1 . . 7.994 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10 80 1 1 . . 7.928 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10 80 2 1 . . 7.460 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10 81 1 1 . . 7.930 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10 81 2 1 . . 7.662 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 10 82 1 1 . . 9.447 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10 82 2 1 . . 8.227 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 10 83 1 1 . . 9.565 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10 83 2 1 . . 8.329 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10 84 1 1 . . 7.662 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 10 84 2 1 . . 7.661 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 10 85 1 1 . . 7.644 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 10 85 2 1 . . 7.643 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 10 86 1 1 . . 7.622 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10 86 2 1 . . 7.622 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10 87 1 1 . . 7.668 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 10 88 1 1 . . 7.620 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10 89 1 1 . . 7.457 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10 89 2 1 . . 7.934 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10 90 1 1 . . 7.459 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10 90 2 1 . . 8.746 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10 91 1 1 . . 6.946 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 10 92 1 1 . . 7.453 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10 92 2 1 . . 7.455 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10 93 1 1 . . 6.936 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 10 93 2 1 . . 6.935 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 10 94 1 1 . . 6.854 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 10 94 2 1 . . 6.854 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 10 95 1 1 . . 6.886 . . 1 . 1 1 19 TRP HD1 . . . . . . . . . . 300 . 18729 10 95 2 1 . . 6.886 . . 1 . 1 1 19 TRP HD1 . . . . . . . . . . 300 . 18729 10 129 1 1 . . 8.258 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 10 130 2 1 . . 8.811 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10 132 1 1 . . 8.815 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10 132 2 1 . . 3.979 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 10 133 1 1 . . 8.999 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 133 2 1 . . 2.023 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 10 134 1 1 . . 8.998 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 134 2 1 . . 2.218 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 10 135 2 1 . . 9.005 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 136 2 1 . . 8.997 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 137 2 1 . . 9.002 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 141 1 1 . . 9.002 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 141 2 1 . . 4.095 . . 1 . 1 1 5 GLU HA . . . . . . . . . . 226 . 18729 10 144 1 1 . . 8.706 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10 144 1 2 . . 8.706 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10 145 1 1 . . 8.705 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10 145 1 2 . . 8.705 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10 146 1 1 . . 8.713 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10 146 1 2 . . 8.713 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10 147 1 1 . . 2.861 . . 1 . 1 1 6 ASN HB2 . . . . . . . . . . 222 . 18729 10 147 1 2 . . 2.861 . . 1 . 1 1 31 ASN HB2 . . . . . . . . . . 159 . 18729 10 148 2 1 . . 7.624 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10 148 2 2 . . 7.624 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 10 149 2 1 . . 8.709 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10 150 2 1 . . 8.712 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10 151 1 1 . . 2.848 . . 1 . 1 1 9 PHE HB3 . . . . . . . . . . 214 . 18729 10 151 2 1 . . 8.437 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10 152 1 1 . . 9.560 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10 153 2 1 . . 8.324 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10 154 1 1 . . 8.325 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10 157 1 1 . . 8.434 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10 158 1 1 . . 3.378 . . 1 . 1 1 9 PHE HB2 . . . . . . . . . . 215 . 18729 10 158 2 1 . . 8.431 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10 159 2 1 . . 8.124 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10 166 1 1 . . 6.936 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 10 187 2 1 . . 8.740 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10 193 1 1 . . 7.452 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10 194 1 1 . . 7.928 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10 195 2 1 . . 7.933 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10 200 1 1 . . 8.609 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 10 201 1 1 . . 8.611 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 10 202 2 1 . . 8.604 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 10 203 1 1 . . 8.225 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 10 204 1 1 . . 8.225 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 10 211 2 1 . . 9.448 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10 213 1 1 . . 9.264 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10 213 1 2 . . 9.264 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10 214 2 1 . . 9.260 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10 215 1 1 . . 8.887 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 10 216 1 1 . . 8.878 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 10 217 1 1 . . 8.995 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10 218 2 1 . . 9.262 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10 221 1 1 . . 9.152 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 10 222 1 1 . . 10.614 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10 222 2 1 . . 4.857 . . 1 . 1 1 23 ARG HA . . . . . . . . . . 182 . 18729 10 223 1 1 . . 10.617 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10 224 2 1 . . 10.614 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10 225 2 1 . . 10.616 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10 226 2 1 . . 8.744 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10 232 1 1 . . 8.762 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10 233 1 1 . . 7.863 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10 233 2 1 . . 8.763 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10 234 1 1 . . 8.764 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10 234 2 1 . . 7.870 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10 240 2 1 . . 7.999 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10 241 2 1 . . 7.999 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10 242 1 1 . . 7.876 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10 243 1 1 . . 7.879 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10 244 1 1 . . 7.865 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10 245 2 1 . . 7.870 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10 250 1 1 . . 8.995 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10 251 2 1 . . 8.989 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10 253 2 1 . . 9.610 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10 260 1 1 . . 7.296 . . 1 . 1 1 9 PHE QD . . . . . . . . . . 303 . 18729 10 260 2 1 . . 2.868 . . 1 . 1 1 9 PHE HB3 . . . . . . . . . . 214 . 18729 10 261 1 1 . . 7.297 . . 1 . 1 1 9 PHE QD . . . . . . . . . . 303 . 18729 10 261 2 1 . . 3.377 . . 1 . 1 1 9 PHE HB2 . . . . . . . . . . 215 . 18729 10 262 1 1 . . 7.627 . . 1 . 1 1 19 TRP HE3 . . . . . . . . . . 309 . 18729 10 262 2 1 . . 7.505 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 10 263 1 1 . . 7.558 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 10 263 2 1 . . 7.343 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 10 264 1 1 . . 7.346 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 10 264 2 1 . . 7.557 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 10 265 1 1 . . 7.351 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 10 265 2 1 . . 7.222 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 10 266 1 1 . . 7.237 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 10 266 2 1 . . 7.363 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 10 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11 _Spectral_peak_list.Entry_ID 18729 _Spectral_peak_list.ID 11 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '2D 1H-13C 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 . . H 1 1H . . 5937.5000000 . . . . . . . 18729 11 2 . . C 13 13C . . 11904.7619048 . . . . . . . 18729 11 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 11 2 1.0 . . 18729 11 3 1.0 . . 18729 11 4 1.0 . . 18729 11 5 1.0 . . 18729 11 6 1.0 . . 18729 11 7 1.0 . . 18729 11 8 1.0 . . 18729 11 9 1.0 . . 18729 11 10 1.0 . . 18729 11 11 1.0 . . 18729 11 12 1.0 . . 18729 11 13 1.0 . . 18729 11 14 1.0 . . 18729 11 15 1.0 . . 18729 11 16 1.0 . . 18729 11 17 1.0 . . 18729 11 18 1.0 . . 18729 11 19 1.0 . . 18729 11 20 1.0 . . 18729 11 21 1.0 . . 18729 11 22 1.0 . . 18729 11 23 1.0 . . 18729 11 24 1.0 . . 18729 11 25 1.0 . . 18729 11 26 1.0 . . 18729 11 27 1.0 . . 18729 11 28 1.0 . . 18729 11 29 1.0 . . 18729 11 30 1.0 . . 18729 11 31 1.0 . . 18729 11 32 1.0 . . 18729 11 33 1.0 . . 18729 11 34 1.0 . . 18729 11 35 1.0 . . 18729 11 36 1.0 . . 18729 11 37 1.0 . . 18729 11 38 1.0 . . 18729 11 39 1.0 . . 18729 11 40 1.0 . . 18729 11 41 1.0 . . 18729 11 42 1.0 . . 18729 11 43 1.0 . . 18729 11 44 1.0 . . 18729 11 45 1.0 . . 18729 11 46 1.0 . . 18729 11 47 1.0 . . 18729 11 48 1.0 . . 18729 11 49 1.0 . . 18729 11 50 1.0 . . 18729 11 51 1.0 . . 18729 11 52 1.0 . . 18729 11 53 1.0 . . 18729 11 54 1.0 . . 18729 11 55 1.0 . . 18729 11 56 1.0 . . 18729 11 57 1.0 . . 18729 11 58 1.0 . . 18729 11 59 1.0 . . 18729 11 60 1.0 . . 18729 11 61 1.0 . . 18729 11 62 1.0 . . 18729 11 63 1.0 . . 18729 11 64 1.0 . . 18729 11 65 1.0 . . 18729 11 66 1.0 . . 18729 11 67 1.0 . . 18729 11 68 1.0 . . 18729 11 69 1.0 . . 18729 11 70 1.0 . . 18729 11 71 1.0 . . 18729 11 72 1.0 . . 18729 11 73 1.0 . . 18729 11 74 1.0 . . 18729 11 75 1.0 . . 18729 11 76 1.0 . . 18729 11 77 1.0 . . 18729 11 78 1.0 . . 18729 11 79 1.0 . . 18729 11 80 1.0 . . 18729 11 81 1.0 . . 18729 11 82 1.0 . . 18729 11 83 1.0 . . 18729 11 84 1.0 . . 18729 11 85 1.0 . . 18729 11 86 1.0 . . 18729 11 87 1.0 . . 18729 11 88 1.0 . . 18729 11 89 1.0 . . 18729 11 90 1.0 . . 18729 11 91 1.0 . . 18729 11 92 1.0 . . 18729 11 93 1.0 . . 18729 11 94 1.0 . . 18729 11 95 1.0 . . 18729 11 96 1.0 . . 18729 11 97 1.0 . . 18729 11 98 1.0 . . 18729 11 99 1.0 . . 18729 11 100 1.0 . . 18729 11 101 1.0 . . 18729 11 102 1.0 . . 18729 11 103 1.0 . . 18729 11 104 1.0 . . 18729 11 105 1.0 . . 18729 11 106 1.0 . . 18729 11 107 1.0 . . 18729 11 108 1.0 . . 18729 11 109 1.0 . . 18729 11 110 1.0 . . 18729 11 111 1.0 . . 18729 11 112 1.0 . . 18729 11 113 1.0 . . 18729 11 114 1.0 . . 18729 11 115 1.0 . . 18729 11 116 1.0 . . 18729 11 117 1.0 . . 18729 11 118 1.0 . . 18729 11 119 1.0 . . 18729 11 120 1.0 . . 18729 11 121 1.0 . . 18729 11 122 1.0 . . 18729 11 123 1.0 . . 18729 11 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 4065877.5000000 . height 18729 11 1 23710928.2500000 . volume 18729 11 2 2864467.0000000 . height 18729 11 2 20785371.7500000 . volume 18729 11 3 2139743.2500000 . height 18729 11 3 15916847.0000000 . volume 18729 11 4 2211720.7500000 . height 18729 11 4 16149510.5000000 . volume 18729 11 5 2319370.7500000 . height 18729 11 5 16936871.1250000 . volume 18729 11 6 234138.3125000 . height 18729 11 6 1778353.4531200 . volume 18729 11 7 318866.5625000 . height 18729 11 7 2405677.6093800 . volume 18729 11 8 381906.5312500 . height 18729 11 8 2944939.4218800 . volume 18729 11 9 439194.3750000 . height 18729 11 9 3405133.1875000 . volume 18729 11 10 406209.8125000 . height 18729 11 10 3307658.9375000 . volume 18729 11 11 651449.5000000 . height 18729 11 11 5043302.1562500 . volume 18729 11 12 824501.7500000 . height 18729 11 12 6353909.1250000 . volume 18729 11 13 823631.1250000 . height 18729 11 13 6284381.0625000 . volume 18729 11 14 382715.0937500 . height 18729 11 14 3023560.5625000 . volume 18729 11 15 537672.8750000 . height 18729 11 15 4163095.7500000 . volume 18729 11 16 380153.6562500 . height 18729 11 16 2954022.4062500 . volume 18729 11 17 585865.9375000 . height 18729 11 17 4604700.2500000 . volume 18729 11 18 438002.1250000 . height 18729 11 18 3302386.6250000 . volume 18729 11 19 304704.3437500 . height 18729 11 19 2438065.5000000 . volume 18729 11 20 318123.6250000 . height 18729 11 20 2465794.2656200 . volume 18729 11 21 665183.8125000 . height 18729 11 21 5118443.9062500 . volume 18729 11 22 498721.1250000 . height 18729 11 22 3829399.0625000 . volume 18729 11 23 408791.2500000 . height 18729 11 23 3161349.6562500 . volume 18729 11 24 221710.3750000 . height 18729 11 24 1751719.7187500 . volume 18729 11 25 347992.1562500 . height 18729 11 25 2668804.2343800 . volume 18729 11 26 962849.2500000 . height 18729 11 26 7601898.7500000 . volume 18729 11 27 486043.5000000 . height 18729 11 27 3872995.0937500 . volume 18729 11 28 396765.8750000 . height 18729 11 28 3094456.8125000 . volume 18729 11 29 511572.4375000 . height 18729 11 29 4636317.2187500 . volume 18729 11 30 272592.5000000 . height 18729 11 30 2282624.2500000 . volume 18729 11 31 790077.8125000 . height 18729 11 31 6045821.3750000 . volume 18729 11 32 186851.8437500 . height 18729 11 32 1455312.9218800 . volume 18729 11 33 204841.9375000 . height 18729 11 33 1633282.2343800 . volume 18729 11 34 144648.5625000 . height 18729 11 34 1178503.1875000 . volume 18729 11 35 580474.1250000 . height 18729 11 35 4407273.1875000 . volume 18729 11 36 182978.7656250 . height 18729 11 36 1496183.6718800 . volume 18729 11 37 103586.3828120 . height 18729 11 37 851443.9843750 . volume 18729 11 38 15807.8750000 . height 18729 11 38 131052.0000000 . volume 18729 11 39 48865.5156250 . height 18729 11 39 339540.9296880 . volume 18729 11 40 60980.3515625 . height 18729 11 40 462042.5859380 . volume 18729 11 41 91596.0156250 . height 18729 11 41 670793.5390620 . volume 18729 11 42 41781.2421875 . height 18729 11 42 522363.3203120 . volume 18729 11 43 37077.0156250 . height 18729 11 43 292241.4531250 . volume 18729 11 44 34700.8515625 . height 18729 11 44 272699.9453120 . volume 18729 11 45 6708.4921875 . height 18729 11 45 48008.3437500 . volume 18729 11 46 229871.3437500 . height 18729 11 46 1851897.2500000 . volume 18729 11 47 199025.6718750 . height 18729 11 47 1605352.2500000 . volume 18729 11 48 180006.3281250 . height 18729 11 48 1457394.0781200 . volume 18729 11 49 143201.3437500 . height 18729 11 49 1160270.8906200 . volume 18729 11 50 83158.7265625 . height 18729 11 50 675771.4140620 . volume 18729 11 51 99978.4062500 . height 18729 11 51 810522.0468750 . volume 18729 11 52 78094.1484375 . height 18729 11 52 651993.0078120 . volume 18729 11 53 92564.5859375 . height 18729 11 53 757362.3046880 . volume 18729 11 54 29753.8515625 . height 18729 11 54 244536.6171880 . volume 18729 11 55 43659.0937500 . height 18729 11 55 342596.3750000 . volume 18729 11 56 32303.9062500 . height 18729 11 56 264487.7109380 . volume 18729 11 57 20026.3125000 . height 18729 11 57 144863.9921880 . volume 18729 11 58 336.4921875 . height 18729 11 58 287.4843750 . volume 18729 11 59 6371.4921875 . height 18729 11 59 56776.4687500 . volume 18729 11 60 8189.7578125 . height 18729 11 60 61612.2187500 . volume 18729 11 61 7389.8984375 . height 18729 11 61 38312.5468750 . volume 18729 11 62 -2840.4140625 . height 18729 11 62 -5646.0312500 . volume 18729 11 63 -795.7265625 . height 18729 11 63 -12692.9375000 . volume 18729 11 64 -4203.3437500 . height 18729 11 64 -29816.4453125 . volume 18729 11 65 6090.7343750 . height 18729 11 65 44194.7890625 . volume 18729 11 66 6562.8046875 . height 18729 11 66 58568.8906250 . volume 18729 11 67 50303.8593750 . height 18729 11 67 408419.0546880 . volume 18729 11 68 491648.6250000 . height 18729 11 68 3622823.6562500 . volume 18729 11 69 377919.5937500 . height 18729 11 69 2792880.4843800 . volume 18729 11 70 330357.3437500 . height 18729 11 70 2446528.1093800 . volume 18729 11 71 347083.1875000 . height 18729 11 71 2576285.0468800 . volume 18729 11 72 358857.5000000 . height 18729 11 72 2639112.7031200 . volume 18729 11 73 270480.5000000 . height 18729 11 73 2024091.5468800 . volume 18729 11 74 254534.8593750 . height 18729 11 74 2388385.8906200 . volume 18729 11 75 225975.5937500 . height 18729 11 75 1777738.6875000 . volume 18729 11 76 267592.2812500 . height 18729 11 76 2160871.1562500 . volume 18729 11 77 462910.3750000 . height 18729 11 77 3796674.4062500 . volume 18729 11 78 220433.9843750 . height 18729 11 78 2009157.8984400 . volume 18729 11 79 168090.1875000 . height 18729 11 79 1448375.0156200 . volume 18729 11 80 105981.5546880 . height 18729 11 80 910943.6796880 . volume 18729 11 81 39022.9453125 . height 18729 11 81 316749.5156250 . volume 18729 11 82 45032.2890625 . height 18729 11 82 385064.8203120 . volume 18729 11 83 2201804.0000000 . height 18729 11 83 17185285.8750000 . volume 18729 11 84 1067945.6250000 . height 18729 11 84 10106800.1250000 . volume 18729 11 85 962565.1250000 . height 18729 11 85 7128124.5625000 . volume 18729 11 86 1888428.0000000 . height 18729 11 86 13828911.6250000 . volume 18729 11 87 372562.1875000 . height 18729 11 87 2848592.6875000 . volume 18729 11 88 316787.1250000 . height 18729 11 88 2483771.3281200 . volume 18729 11 89 360898.9687500 . height 18729 11 89 3290678.0937500 . volume 18729 11 90 234306.9687500 . height 18729 11 90 1868602.1562500 . volume 18729 11 91 301504.2812500 . height 18729 11 91 2492390.1406200 . volume 18729 11 92 300569.2187500 . height 18729 11 92 2492745.0000000 . volume 18729 11 93 285449.2500000 . height 18729 11 93 2256951.9375000 . volume 18729 11 94 319719.7187500 . height 18729 11 94 2524802.0781200 . volume 18729 11 95 352006.5312500 . height 18729 11 95 2718231.7343800 . volume 18729 11 96 290216.3437500 . height 18729 11 96 2361519.2656200 . volume 18729 11 97 238177.2187500 . height 18729 11 97 1806345.7031200 . volume 18729 11 98 181967.4062500 . height 18729 11 98 1531076.8828100 . volume 18729 11 99 314706.5625000 . height 18729 11 99 2473492.7968800 . volume 18729 11 100 255456.6718750 . height 18729 11 100 2094697.9140600 . volume 18729 11 101 352774.7812500 . height 18729 11 101 2833875.1406200 . volume 18729 11 102 441206.5000000 . height 18729 11 102 3568379.7812500 . volume 18729 11 103 327837.3125000 . height 18729 11 103 2757812.1718800 . volume 18729 11 104 316640.4062500 . height 18729 11 104 2741562.2187500 . volume 18729 11 105 297288.2812500 . height 18729 11 105 2357045.1562500 . volume 18729 11 106 331109.2812500 . height 18729 11 106 2467311.6406200 . volume 18729 11 107 325273.5625000 . height 18729 11 107 2463218.2656200 . volume 18729 11 108 336949.3437500 . height 18729 11 108 2495505.2031200 . volume 18729 11 109 403031.5625000 . height 18729 11 109 3252817.0000000 . volume 18729 11 110 404225.0000000 . height 18729 11 110 3375127.4375000 . volume 18729 11 111 1485225.1250000 . height 18729 11 111 12008176.8750000 . volume 18729 11 112 526204.4375000 . height 18729 11 112 4323276.1875000 . volume 18729 11 113 554110.5625000 . height 18729 11 113 4530289.5312500 . volume 18729 11 114 578091.9375000 . height 18729 11 114 4715107.2500000 . volume 18729 11 115 338961.9687500 . height 18729 11 115 2703867.5156200 . volume 18729 11 116 406209.8125000 . height 18729 11 116 3307658.9375000 . volume 18729 11 117 561558.5000000 . height 18729 11 117 4451264.0937500 . volume 18729 11 118 317588.4062500 . height 18729 11 118 2588002.1093800 . volume 18729 11 119 530068.3750000 . height 18729 11 119 4195513.3125000 . volume 18729 11 120 932254.4375000 . height 18729 11 120 7221723.3125000 . volume 18729 11 121 387782.6875000 . height 18729 11 121 3000447.4062500 . volume 18729 11 122 1006920.0000000 . height 18729 11 122 8933922.6250000 . volume 18729 11 123 1535391.8750000 . height 18729 11 123 12401783.8125000 . volume 18729 11 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 2.199 . 13.1163001060 . . . . . . . . . . 1 18729 11 1 2 17.348 . 48.9027727218 . . . . . . . . . . 1 18729 11 2 1 0.883 . 17.4695253372 . . . . . . . . . . 1 18729 11 2 2 16.986 . 70.2738761902 . . . . . . . . . . 1 18729 11 3 1 0.788 . 19.5285677910 . . . . . . . . . . 1 18729 11 3 2 12.114 . 74.7193892797 . . . . . . . . . . 1 18729 11 4 1 1.191 . 17.5920128822 . . . . . . . . . . 1 18729 11 4 2 22.201 . 71.7029685066 . . . . . . . . . . 1 18729 11 5 1 0.969 . 18.2920694351 . . . . . . . . . . 1 18729 11 5 2 22.121 . 70.9054015932 . . . . . . . . . . 1 18729 11 6 1 0.812 . 37.3664498329 . . . . . . . . . . 1 18729 11 6 2 25.903 . 76.0938440050 . . . . . . . . . . 1 18729 11 7 1 0.711 . 28.9970636368 . . . . . . . . . . 1 18729 11 7 2 25.894 . 76.6593785513 . . . . . . . . . . 1 18729 11 8 1 1.494 . 32.6240062714 . . . . . . . . . . 1 18729 11 8 2 25.385 . 82.0046379453 . . . . . . . . . . 1 18729 11 9 1 1.400 . 35.0844860077 . . . . . . . . . . 1 18729 11 9 2 25.357 . 82.5879119691 . . . . . . . . . . 1 18729 11 10 1 1.821 . 53.9454817772 . . . . . . . . . . 1 18729 11 10 2 27.746 . 105.2504494080 . . . . . . . . . . 1 18729 11 11 1 1.976 . 34.5852971077 . . . . . . . . . . 1 18729 11 11 2 27.767 . 83.7324630646 . . . . . . . . . . 1 18729 11 12 1 1.704 . 37.4945998192 . . . . . . . . . . 1 18729 11 12 2 29.052 . 80.9558800289 . . . . . . . . . . 1 18729 11 13 1 2.074 . 27.0402431488 . . . . . . . . . . 1 18729 11 13 2 29.055 . 80.2477200826 . . . . . . . . . . 1 18729 11 14 1 2.015 . 93.2613015175 . . . . . . . . . . 1 18729 11 14 2 30.625 . 89.0961715153 . . . . . . . . . . 1 18729 11 15 1 1.922 . 36.9244813919 . . . . . . . . . . 1 18729 11 15 2 30.436 . 83.2180182139 . . . . . . . . . . 1 18729 11 16 1 2.207 . 82.6820731163 . . . . . . . . . . 1 18729 11 16 2 30.614 . 82.9973391124 . . . . . . . . . . 1 18729 11 17 1 2.133 . 35.3559851646 . . . . . . . . . . 1 18729 11 17 2 30.453 . 90.7885176795 . . . . . . . . . . 1 18729 11 18 1 1.672 . 29.0846824646 . . . . . . . . . . 1 18729 11 18 2 32.588 . 75.4459982827 . . . . . . . . . . 1 18729 11 19 1 2.134 . 34.6401333809 . . . . . . . . . . 1 18729 11 19 2 32.445 . 97.4890731630 . . . . . . . . . . 1 18729 11 20 1 1.948 . 38.7793779373 . . . . . . . . . . 1 18729 11 20 2 32.573 . 84.2575516020 . . . . . . . . . . 1 18729 11 21 1 2.016 . 41.6448712349 . . . . . . . . . . 1 18729 11 21 2 32.091 . 82.4183225632 . . . . . . . . . . 1 18729 11 22 1 2.533 . 56.2864542007 . . . . . . . . . . 1 18729 11 22 2 32.912 . 77.9536508379 . . . . . . . . . . 1 18729 11 23 1 2.484 . 61.0828399658 . . . . . . . . . . 1 18729 11 23 2 32.911 . 77.8316032319 . . . . . . . . . . 1 18729 11 24 1 2.286 . 34.2959165573 . . . . . . . . . . 1 18729 11 24 2 34.014 . 92.1459425063 . . . . . . . . . . 1 18729 11 25 1 2.076 . 29.1272997856 . . . . . . . . . . 1 18729 11 25 2 34.393 . 81.4320076080 . . . . . . . . . . 1 18729 11 26 1 1.896 . 35.2120399475 . . . . . . . . . . 1 18729 11 26 2 34.072 . 89.5722990944 . . . . . . . . . . 1 18729 11 27 1 1.763 . 39.2606854439 . . . . . . . . . . 1 18729 11 27 2 34.344 . 100.1450277510 . . . . . . . . . . 1 18729 11 28 1 1.803 . 70.7766413689 . . . . . . . . . . 1 18729 11 28 2 34.117 . 86.8063597452 . . . . . . . . . . 1 18729 11 29 1 1.888 . 37.5175476074 . . . . . . . . . . 1 18729 11 29 2 33.868 . 123.1871900100 . . . . . . . . . . 1 18729 11 30 1 1.729 . 79.0244340897 . . . . . . . . . . 1 18729 11 30 2 33.985 . 167.1732891170 . . . . . . . . . . 1 18729 11 31 1 1.650 . 29.1234254837 . . . . . . . . . . 1 18729 11 31 2 34.603 . 80.1341874259 . . . . . . . . . . 1 18729 11 32 1 3.615 . 36.7116928101 . . . . . . . . . . 1 18729 11 32 2 30.236 . 94.8934327988 . . . . . . . . . . 1 18729 11 33 1 3.031 . 38.7191772461 . . . . . . . . . . 1 18729 11 33 2 30.235 . 95.4142638615 . . . . . . . . . . 1 18729 11 34 1 4.184 . 21.0373103619 . . . . . . . . . . 1 18729 11 34 2 63.941 . 107.0430236200 . . . . . . . . . . 1 18729 11 35 1 3.891 . 32.2461128235 . . . . . . . . . . 1 18729 11 35 2 64.201 . 74.0823646386 . . . . . . . . . . 1 18729 11 36 1 4.073 . 20.5531716347 . . . . . . . . . . 1 18729 11 36 2 60.988 . 107.0366374080 . . . . . . . . . . 1 18729 11 37 1 4.282 . 27.2344052792 . . . . . . . . . . 1 18729 11 37 2 60.365 . 111.0789321720 . . . . . . . . . . 1 18729 11 38 1 7.549 . 81.7394629121 . . . . . . . . . . 1 18729 11 38 2 114.542 . 128.2791296640 . . . . . . . . . . 1 18729 11 39 1 7.620 . 30.6935235858 . . . . . . . . . . 1 18729 11 39 2 121.011 . 83.5568422363 . . . . . . . . . . 1 18729 11 40 1 7.236 . 25.9929150343 . . . . . . . . . . 1 18729 11 40 2 122.221 . 159.3984308700 . . . . . . . . . . 1 18729 11 41 1 7.339 . 23.8093361259 . . . . . . . . . . 1 18729 11 41 2 125.008 . 99.0128942898 . . . . . . . . . . 1 18729 11 42 1 6.878 . 22.0418721437 . . . . . . . . . . 1 18729 11 42 2 124.644 . 144.8116132190 . . . . . . . . . . 1 18729 11 43 1 7.341 . 98.6939296126 . . . . . . . . . . 1 18729 11 43 2 131.692 . 127.5021405450 . . . . . . . . . . 1 18729 11 44 1 7.228 . 118.0078461770 . . . . . . . . . . 1 18729 11 44 2 131.684 . 131.7149116880 . . . . . . . . . . 1 18729 11 45 1 7.290 . 27.9502198100 . . . . . . . . . . 1 18729 11 45 2 127.337 . 106.2090907780 . . . . . . . . . . 1 18729 11 46 1 3.773 . 25.9247422218 . . . . . . . . . . 1 18729 11 46 2 57.660 . 104.2123351780 . . . . . . . . . . 1 18729 11 47 1 4.090 . 21.8361616135 . . . . . . . . . . 1 18729 11 47 2 58.787 . 102.5097001170 . . . . . . . . . . 1 18729 11 48 1 4.093 . 21.8763947487 . . . . . . . . . . 1 18729 11 48 2 56.227 . 102.0850170230 . . . . . . . . . . 1 18729 11 49 1 4.087 . 24.7052311897 . . . . . . . . . . 1 18729 11 49 2 54.278 . 106.0646914300 . . . . . . . . . . 1 18729 11 50 1 4.396 . 22.0459699631 . . . . . . . . . . 1 18729 11 50 2 52.556 . 106.6543516660 . . . . . . . . . . 1 18729 11 51 1 4.454 . 23.7698853016 . . . . . . . . . . 1 18729 11 51 2 56.343 . 105.3277935300 . . . . . . . . . . 1 18729 11 52 1 4.407 . 25.5554914474 . . . . . . . . . . 1 18729 11 52 2 57.351 . 115.1224686990 . . . . . . . . . . 1 18729 11 53 1 4.327 . 29.0048122406 . . . . . . . . . . 1 18729 11 53 2 57.434 . 108.6709754810 . . . . . . . . . . 1 18729 11 54 1 4.547 . 31.0970842838 . . . . . . . . . . 1 18729 11 54 2 57.166 . 100.8106129510 . . . . . . . . . . 1 18729 11 55 1 4.548 . 26.6276299953 . . . . . . . . . . 1 18729 11 55 2 54.901 . 101.6017936520 . . . . . . . . . . 1 18729 11 56 1 5.253 . 28.2721221447 . . . . . . . . . . 1 18729 11 56 2 53.566 . 107.2326586360 . . . . . . . . . . 1 18729 11 57 1 5.033 . 16.9441103935 . . . . . . . . . . 1 18729 11 57 2 54.771 . 85.0508610408 . . . . . . . . . . 1 18729 11 58 1 4.863 . 10.7677280903 . . . . . . . . . . 1 18729 11 58 2 55.769 . 156.8936166310 . . . . . . . . . . 1 18729 11 59 1 4.835 . 172.6621389390 . . . . . . . . . . 1 18729 11 59 2 55.339 . 104.8495372140 . . . . . . . . . . 1 18729 11 60 1 4.787 . 182.8704774380 . . . . . . . . . . 1 18729 11 60 2 55.035 . 86.6839573497 . . . . . . . . . . 1 18729 11 61 1 4.840 . 160.7558131220 . . . . . . . . . . 1 18729 11 61 2 54.276 . 39.2996839115 . . . . . . . . . . 1 18729 11 62 1 4.809 . 155.7061076160 . . . . . . . . . . 1 18729 11 62 2 54.086 . 112.6953533720 . . . . . . . . . . 1 18729 11 63 1 4.738 . 183.7342977520 . . . . . . . . . . 1 18729 11 63 2 53.871 . 117.2409171150 . . . . . . . . . . 1 18729 11 64 1 4.860 . 158.3695411680 . . . . . . . . . . 1 18729 11 64 2 53.592 . 71.1076316379 . . . . . . . . . . 1 18729 11 65 1 4.678 . 18.8851356506 . . . . . . . . . . 1 18729 11 65 2 56.739 . 68.7951133365 . . . . . . . . . . 1 18729 11 66 1 4.692 . 174.5168864730 . . . . . . . . . . 1 18729 11 66 2 58.647 . 189.9986749600 . . . . . . . . . . 1 18729 11 67 1 4.496 . 23.0443477631 . . . . . . . . . . 1 18729 11 67 2 50.183 . 104.8850161690 . . . . . . . . . . 1 18729 11 68 1 3.838 . 33.6024165154 . . . . . . . . . . 1 18729 11 68 2 51.766 . 69.1633848917 . . . . . . . . . . 1 18729 11 69 1 2.663 . 25.0083208084 . . . . . . . . . . 1 18729 11 69 2 49.750 . 70.6290205320 . . . . . . . . . . 1 18729 11 70 1 2.404 . 28.7178158760 . . . . . . . . . . 1 18729 11 70 2 49.752 . 70.1426040559 . . . . . . . . . . 1 18729 11 71 1 3.019 . 29.9590826035 . . . . . . . . . . 1 18729 11 71 2 46.706 . 71.0203534081 . . . . . . . . . . 1 18729 11 72 1 2.936 . 28.8581848145 . . . . . . . . . . 1 18729 11 72 2 46.708 . 70.1841144335 . . . . . . . . . . 1 18729 11 73 1 3.516 . 34.9026918411 . . . . . . . . . . 1 18729 11 73 2 46.148 . 104.3982449030 . . . . . . . . . . 1 18729 11 74 1 3.752 . 43.2711839676 . . . . . . . . . . 1 18729 11 74 2 46.064 . 108.7632207640 . . . . . . . . . . 1 18729 11 75 1 3.569 . 34.1585278511 . . . . . . . . . . 1 18729 11 75 2 44.761 . 103.2771099180 . . . . . . . . . . 1 18729 11 76 1 3.792 . 57.2341680527 . . . . . . . . . . 1 18729 11 76 2 44.694 . 111.0111673670 . . . . . . . . . . 1 18729 11 77 1 3.820 . 44.7040796280 . . . . . . . . . . 1 18729 11 77 2 44.713 . 109.9624094510 . . . . . . . . . . 1 18729 11 78 1 3.798 . 39.5697355270 . . . . . . . . . . 1 18729 11 78 2 44.398 . 136.3023405980 . . . . . . . . . . 1 18729 11 79 1 4.263 . 34.1930985451 . . . . . . . . . . 1 18729 11 79 2 44.776 . 103.3196846640 . . . . . . . . . . 1 18729 11 80 1 4.237 . 56.0748577118 . . . . . . . . . . 1 18729 11 80 2 44.705 . 103.6006779900 . . . . . . . . . . 1 18729 11 81 1 4.483 . 39.8145616055 . . . . . . . . . . 1 18729 11 81 2 44.761 . 96.1997679302 . . . . . . . . . . 1 18729 11 82 1 4.381 . 41.8144464493 . . . . . . . . . . 1 18729 11 82 2 44.519 . 101.3779214450 . . . . . . . . . . 1 18729 11 83 1 3.205 . 26.7615914345 . . . . . . . . . . 1 18729 11 83 2 43.814 . 87.4634299959 . . . . . . . . . . 1 18729 11 84 1 3.258 . 87.0427489281 . . . . . . . . . . 1 18729 11 84 2 43.380 . 126.9926627480 . . . . . . . . . . 1 18729 11 85 1 3.292 . 90.4914736748 . . . . . . . . . . 1 18729 11 85 2 43.476 . 71.2495474588 . . . . . . . . . . 1 18729 11 86 1 3.026 . 20.9125876427 . . . . . . . . . . 1 18729 11 86 2 42.283 . 69.8640942574 . . . . . . . . . . 1 18729 11 87 1 3.043 . 29.8243761063 . . . . . . . . . . 1 18729 11 87 2 41.571 . 200.0636997680 . . . . . . . . . . 1 18729 11 88 1 3.105 . 37.0201468468 . . . . . . . . . . 1 18729 11 88 2 41.544 . 124.8011276840 . . . . . . . . . . 1 18729 11 89 1 3.125 . 36.7715954781 . . . . . . . . . . 1 18729 11 89 2 41.789 . 149.0478004730 . . . . . . . . . . 1 18729 11 90 1 2.339 . 36.0280275345 . . . . . . . . . . 1 18729 11 90 2 42.007 . 103.8224214600 . . . . . . . . . . 1 18729 11 91 1 2.775 . 33.9844822884 . . . . . . . . . . 1 18729 11 91 2 40.988 . 109.8176553140 . . . . . . . . . . 1 18729 11 92 1 2.565 . 34.9158048630 . . . . . . . . . . 1 18729 11 92 2 40.975 . 110.3324549540 . . . . . . . . . . 1 18729 11 93 1 3.435 . 31.7165255547 . . . . . . . . . . 1 18729 11 93 2 39.267 . 86.7900394258 . . . . . . . . . . 1 18729 11 94 1 3.383 . 29.8509001732 . . . . . . . . . . 1 18729 11 94 2 39.796 . 90.0108189810 . . . . . . . . . . 1 18729 11 95 1 3.248 . 33.1556797028 . . . . . . . . . . 1 18729 11 95 2 38.830 . 86.6530906586 . . . . . . . . . . 1 18729 11 96 1 3.278 . 30.9312343597 . . . . . . . . . . 1 18729 11 96 2 38.043 . 106.8221671240 . . . . . . . . . . 1 18729 11 97 1 3.666 . 32.1289896965 . . . . . . . . . . 1 18729 11 97 2 36.081 . 73.1568960916 . . . . . . . . . . 1 18729 11 98 1 2.823 . 44.0728664398 . . . . . . . . . . 1 18729 11 98 2 39.620 . 104.6387922200 . . . . . . . . . . 1 18729 11 99 1 2.681 . 46.4081764221 . . . . . . . . . . 1 18729 11 99 2 39.195 . 83.6210591452 . . . . . . . . . . 1 18729 11 100 1 2.722 . 41.4949655533 . . . . . . . . . . 1 18729 11 100 2 38.696 . 147.1021345680 . . . . . . . . . . 1 18729 11 101 1 2.834 . 103.6995649340 . . . . . . . . . . 1 18729 11 101 2 38.322 . 113.5511057720 . . . . . . . . . . 1 18729 11 102 1 2.934 . 56.8976998329 . . . . . . . . . . 1 18729 11 102 2 38.277 . 108.5677317210 . . . . . . . . . . 1 18729 11 103 1 2.886 . 87.1491432190 . . . . . . . . . . 1 18729 11 103 2 37.868 . 131.1252514520 . . . . . . . . . . 1 18729 11 104 1 2.856 . 39.8615002632 . . . . . . . . . . 1 18729 11 104 2 37.477 . 181.6401878990 . . . . . . . . . . 1 18729 11 105 1 2.755 . 35.3616476059 . . . . . . . . . . 1 18729 11 105 2 37.473 . 95.9542535600 . . . . . . . . . . 1 18729 11 106 1 3.033 . 30.2168726921 . . . . . . . . . . 1 18729 11 106 2 36.695 . 71.4340380260 . . . . . . . . . . 1 18729 11 107 1 2.751 . 33.8506698608 . . . . . . . . . . 1 18729 11 107 2 36.084 . 73.9487863722 . . . . . . . . . . 1 18729 11 108 1 2.687 . 32.4743986130 . . . . . . . . . . 1 18729 11 108 2 36.698 . 70.6024113156 . . . . . . . . . . 1 18729 11 109 1 2.420 . 32.0780277252 . . . . . . . . . . 1 18729 11 109 2 35.981 . 102.6839017870 . . . . . . . . . . 1 18729 11 110 1 2.346 . 55.8465719223 . . . . . . . . . . 1 18729 11 110 2 35.962 . 220.9835109260 . . . . . . . . . . 1 18729 11 111 1 2.305 . 30.2812457085 . . . . . . . . . . 1 18729 11 111 2 36.404 . 107.2479145870 . . . . . . . . . . 1 18729 11 112 1 2.345 . 92.7138328552 . . . . . . . . . . 1 18729 11 112 2 36.692 . 199.3129650750 . . . . . . . . . . 1 18729 11 113 1 2.257 . 91.0666584969 . . . . . . . . . . 1 18729 11 113 2 36.705 . 109.0523742490 . . . . . . . . . . 1 18729 11 114 1 2.162 . 34.8842144012 . . . . . . . . . . 1 18729 11 114 2 37.022 . 104.5422894610 . . . . . . . . . . 1 18729 11 115 1 1.773 . 31.6733121872 . . . . . . . . . . 1 18729 11 115 2 39.704 . 92.4950554257 . . . . . . . . . . 1 18729 11 116 1 1.620 . 53.9454817772 . . . . . . . . . . 1 18729 11 116 2 28.036 . 105.2504494080 . . . . . . . . . . 1 18729 11 117 1 1.561 . 49.4492053986 . . . . . . . . . . 1 18729 11 117 2 26.673 . 90.2307885034 . . . . . . . . . . 1 18729 11 118 1 1.666 . 58.7597489357 . . . . . . . . . . 1 18729 11 118 2 28.042 . 102.6193300880 . . . . . . . . . . 1 18729 11 119 1 1.523 . 51.1366128922 . . . . . . . . . . 1 18729 11 119 2 26.673 . 89.2203478586 . . . . . . . . . . 1 18729 11 120 1 1.764 . 25.5665183067 . . . . . . . . . . 1 18729 11 120 2 26.841 . 85.4766085034 . . . . . . . . . . 1 18729 11 121 1 2.080 . 33.0689549446 . . . . . . . . . . 1 18729 11 121 2 27.784 . 84.7287121273 . . . . . . . . . . 1 18729 11 122 1 3.194 . 88.8413190842 . . . . . . . . . . 1 18729 11 122 2 43.363 . 123.5760393600 . . . . . . . . . . 1 18729 11 123 1 3.221 . 53.3518195152 . . . . . . . . . . 1 18729 11 123 2 43.476 . 92.3432054974 . . . . . . . . . . 1 18729 11 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 . . 2.199 . . 1 . 1 1 16 MET ME . . . . . . . . . . 244 . 18729 11 1 2 1 . . 17.348 . . 1 . 1 1 16 MET CE . . . . . . . . . . 243 . 18729 11 2 1 1 . . 0.883 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 11 2 2 1 . . 16.986 . . 1 . 1 1 25 ILE CG2 . . . . . . . . . . 294 . 18729 11 3 1 1 . . 0.788 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 11 3 2 1 . . 12.114 . . 1 . 1 1 25 ILE CD1 . . . . . . . . . . 293 . 18729 11 4 1 1 . . 1.191 . . 1 . 1 1 4 VAL MG2 . . . . . . . . . . 248 . 18729 11 4 2 1 . . 22.201 . . 1 . 1 1 4 VAL CG2 . . . . . . . . . . 277 . 18729 11 5 1 1 . . 0.969 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 11 5 2 1 . . 22.121 . . 1 . 1 1 4 VAL CG1 . . . . . . . . . . 278 . 18729 11 6 1 1 . . 0.812 . . 1 . 1 1 11 PRO HG2 . . . . . . . . . . 285 . 18729 11 6 2 1 . . 25.903 . . 1 . 1 1 11 PRO CG . . . . . . . . . . 283 . 18729 11 7 1 1 . . 0.711 . . 1 . 1 1 11 PRO HG3 . . . . . . . . . . 284 . 18729 11 7 2 1 . . 25.894 . . 1 . 1 1 11 PRO CG . . . . . . . . . . 283 . 18729 11 8 1 1 . . 1.494 . . 1 . 1 1 15 LYS HG3 . . . . . . . . . . 260 . 18729 11 8 2 1 . . 25.385 . . 1 . 1 1 15 LYS CG . . . . . . . . . . 291 . 18729 11 9 1 1 . . 1.400 . . 1 . 1 1 15 LYS HG2 . . . . . . . . . . 259 . 18729 11 9 2 1 . . 25.357 . . 1 . 1 1 15 LYS CG . . . . . . . . . . 291 . 18729 11 10 1 1 . . 1.821 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 11 10 2 2 . . 27.746 . . 1 . 1 1 26 ARG CB . . . . . . . . . . 94 . 18729 11 11 1 1 . . 1.976 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 11 11 1 3 . . 1.976 . . 1 . 1 1 13 PRO HG3 . . . . . . . . . . 254 . 18729 11 11 2 1 . . 27.767 . . 1 . 1 1 13 PRO CG . . . . . . . . . . 286 . 18729 11 11 2 2 . . 27.767 . . 1 . 1 1 26 ARG CB . . . . . . . . . . 94 . 18729 11 12 1 1 . . 1.704 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 11 12 1 2 . . 1.704 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 11 12 2 1 . . 29.052 . . 1 . 1 1 15 LYS CD . . . . . . . . . . 290 . 18729 11 13 1 1 . . 2.074 . . 1 . 1 1 14 GLU HB3 . . . . . . . . . . 206 . 18729 11 13 1 2 . . 2.074 . . 1 . 1 1 14 GLU HB2 . . . . . . . . . . 207 . 18729 11 13 2 1 . . 29.055 . . 1 . 1 1 14 GLU CB . . . . . . . . . . 114 . 18729 11 14 1 1 . . 2.015 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 11 14 2 1 . . 30.625 . . 1 . 1 1 5 GLU CB . . . . . . . . . . 97 . 18729 11 15 1 1 . . 1.922 . . 1 . 1 1 2 GLU HB2 . . . . . . . . . . 232 . 18729 11 15 2 2 . . 30.436 . . 1 . 1 1 2 GLU CB . . . . . . . . . . 152 . 18729 11 16 1 1 . . 2.207 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 11 16 2 1 . . 30.614 . . 1 . 1 1 5 GLU CB . . . . . . . . . . 97 . 18729 11 17 1 1 . . 2.133 . . 1 . 1 1 2 GLU HB3 . . . . . . . . . . 233 . 18729 11 17 2 1 . . 30.453 . . 1 . 1 1 2 GLU CB . . . . . . . . . . 152 . 18729 11 18 1 1 . . 1.672 . . 1 . 1 1 11 PRO HB2 . . . . . . . . . . 211 . 18729 11 18 2 1 . . 32.588 . . 1 . 1 1 11 PRO CB . . . . . . . . . . 121 . 18729 11 19 1 1 . . 2.134 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 11 19 2 1 . . 32.445 . . 1 . 1 1 4 VAL CB . . . . . . . . . . 99 . 18729 11 20 1 1 . . 1.948 . . 1 . 1 1 11 PRO HB3 . . . . . . . . . . 212 . 18729 11 20 2 1 . . 32.573 . . 1 . 1 1 11 PRO CB . . . . . . . . . . 121 . 18729 11 21 1 1 . . 2.016 . . 1 . 1 1 13 PRO HB2 . . . . . . . . . . 210 . 18729 11 21 1 2 . . 2.016 . . 1 . 1 1 13 PRO HB3 . . . . . . . . . . 209 . 18729 11 21 2 1 . . 32.091 . . 1 . 1 1 13 PRO CB . . . . . . . . . . 117 . 18729 11 22 1 1 . . 2.533 . . 1 . 1 1 16 MET HG3 . . . . . . . . . . 264 . 18729 11 22 2 1 . . 32.912 . . 1 . 1 1 16 MET CG . . . . . . . . . . 292 . 18729 11 23 1 1 . . 2.484 . . 1 . 1 1 16 MET HG2 . . . . . . . . . . 263 . 18729 11 23 2 1 . . 32.911 . . 1 . 1 1 16 MET CG . . . . . . . . . . 292 . 18729 11 24 1 1 . . 2.286 . . 1 . 1 1 16 MET HB3 . . . . . . . . . . 200 . 18729 11 24 2 1 . . 34.014 . . 1 . 1 1 16 MET CB . . . . . . . . . . 82 . 18729 11 25 1 1 . . 2.076 . . 1 . 1 1 30 ARG HB3 . . . . . . . . . . 163 . 18729 11 25 2 1 . . 34.393 . . 1 . 1 1 30 ARG CB . . . . . . . . . . 85 . 18729 11 26 1 3 . . 1.896 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 11 26 1 4 . . 1.896 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 11 26 2 1 . . 34.072 . . 1 . 1 1 15 LYS CB . . . . . . . . . . 140 . 18729 11 27 1 1 . . 1.763 . . 1 . 1 1 30 ARG HB2 . . . . . . . . . . 162 . 18729 11 27 2 1 . . 34.344 . . 1 . 1 1 30 ARG CB . . . . . . . . . . 85 . 18729 11 28 1 1 . . 1.803 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 11 28 2 1 . . 34.117 . . 1 . 1 1 15 LYS CB . . . . . . . . . . 140 . 18729 11 29 1 1 . . 1.888 . . 1 . 1 1 28 GLU HB2 . . . . . . . . . . 169 . 18729 11 29 1 2 . . 1.888 . . 1 . 1 1 28 GLU HB3 . . . . . . . . . . 168 . 18729 11 29 2 1 . . 33.868 . . 1 . 1 1 28 GLU CB . . . . . . . . . . 90 . 18729 11 30 1 1 . . 1.729 . . 1 . 1 1 16 MET HB2 . . . . . . . . . . 199 . 18729 11 30 2 1 . . 33.985 . . 1 . 1 1 16 MET CB . . . . . . . . . . 82 . 18729 11 31 1 1 . . 1.650 . . 1 . 1 1 23 ARG HB2 . . . . . . . . . . 183 . 18729 11 31 1 2 . . 1.650 . . 1 . 1 1 23 ARG HB3 . . . . . . . . . . 184 . 18729 11 31 2 1 . . 34.603 . . 1 . 1 1 23 ARG CB . . . . . . . . . . 101 . 18729 11 32 1 1 . . 3.615 . . 1 . 1 1 19 TRP HB3 . . . . . . . . . . 194 . 18729 11 32 2 1 . . 30.236 . . 1 . 1 1 19 TRP CB . . . . . . . . . . 78 . 18729 11 33 1 1 . . 3.031 . . 1 . 1 1 19 TRP HB2 . . . . . . . . . . 193 . 18729 11 33 2 1 . . 30.235 . . 1 . 1 1 19 TRP CB . . . . . . . . . . 78 . 18729 11 34 1 1 . . 4.184 . . 1 . 1 1 13 PRO HA . . . . . . . . . . 208 . 18729 11 34 2 1 . . 63.941 . . 1 . 1 1 13 PRO CA . . . . . . . . . . 116 . 18729 11 35 1 1 . . 3.891 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 11 35 2 1 . . 64.201 . . 1 . 1 1 4 VAL CA . . . . . . . . . . 98 . 18729 11 36 1 1 . . 4.073 . . 1 . 1 1 11 PRO HA . . . . . . . . . . 213 . 18729 11 36 2 1 . . 60.988 . . 1 . 1 1 11 PRO CA . . . . . . . . . . 120 . 18729 11 37 1 1 . . 4.282 . . 1 . 1 1 25 ILE HA . . . . . . . . . . 177 . 18729 11 37 2 1 . . 60.365 . . 1 . 1 1 25 ILE CA . . . . . . . . . . 105 . 18729 11 38 1 1 . . 7.549 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 11 38 2 1 . . 114.542 . . 1 . 1 1 19 TRP CZ2 . . . . . . . . . . 307 . 18729 11 39 1 1 . . 7.620 . . 1 . 1 1 19 TRP HE3 . . . . . . . . . . 309 . 18729 11 39 2 1 . . 121.011 . . 1 . 1 1 19 TRP CE3 . . . . . . . . . . 310 . 18729 11 40 1 1 . . 7.236 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 11 40 2 1 . . 122.221 . . 1 . 1 1 19 TRP CZ3 . . . . . . . . . . 314 . 18729 11 41 1 1 . . 7.339 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 11 41 2 1 . . 125.008 . . 1 . 1 1 19 TRP CH2 . . . . . . . . . . 313 . 18729 11 42 1 1 . . 6.878 . . 1 . 1 1 19 TRP HD1 . . . . . . . . . . 300 . 18729 11 42 2 1 . . 124.644 . . 1 . 1 1 19 TRP CD1 . . . . . . . . . . 308 . 18729 11 43 1 1 . . 7.341 . . 1 . 1 1 9 PHE QE . . . . . . . . . . 304 . 18729 11 43 2 1 . . 131.692 . . 1 . 1 1 9 PHE CE1 . . . . . . . . . . 317 . 18729 11 44 1 1 . . 7.228 . . 1 . 1 1 9 PHE QD . . . . . . . . . . 303 . 18729 11 44 2 1 . . 131.684 . . 1 . 1 1 9 PHE CD1 . . . . . . . . . . 316 . 18729 11 45 1 1 . . 7.290 . . 1 . 1 1 9 PHE HZ . . . . . . . . . . 305 . 18729 11 45 2 1 . . 127.337 . . 1 . 1 1 9 PHE CZ . . . . . . . . . . 315 . 18729 11 46 1 1 . . 3.773 . . 1 . 1 1 26 ARG HA . . . . . . . . . . 173 . 18729 11 46 2 1 . . 57.660 . . 1 . 1 1 26 ARG CA . . . . . . . . . . 93 . 18729 11 47 1 1 . . 4.090 . . 1 . 1 1 14 GLU HA . . . . . . . . . . 205 . 18729 11 47 2 1 . . 58.787 . . 1 . 1 1 14 GLU CA . . . . . . . . . . 115 . 18729 11 48 1 1 . . 4.093 . . 1 . 1 1 5 GLU HA . . . . . . . . . . 226 . 18729 11 48 2 1 . . 56.227 . . 1 . 1 1 5 GLU CA . . . . . . . . . . 96 . 18729 11 49 1 1 . . 4.087 . . 1 . 1 1 6 ASN HA . . . . . . . . . . 223 . 18729 11 49 2 1 . . 54.278 . . 1 . 1 1 6 ASN CA . . . . . . . . . . 69 . 18729 11 50 1 1 . . 4.396 . . 1 . 1 1 12 ASP HA . . . . . . . . . . 240 . 18729 11 50 2 1 . . 52.556 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 119 . 18729 11 51 1 1 . . 4.454 . . 1 . 1 1 2 GLU HA . . . . . . . . . . 234 . 18729 11 51 2 1 . . 56.343 . . 1 . 1 1 2 GLU CA . . . . . . . . . . 153 . 18729 11 52 1 1 . . 4.407 . . 1 . 1 1 15 LYS HA . . . . . . . . . . 204 . 18729 11 52 2 1 . . 57.351 . . 1 . 1 1 15 LYS CA . . . . . . . . . . 113 . 18729 11 53 1 1 . . 4.327 . . 1 . 1 1 27 ASN HA . . . . . . . . . . 170 . 18729 11 53 2 1 . . 57.434 . . 1 . 1 1 27 ASN CA . . . . . . . . . . 91 . 18729 11 54 1 1 . . 4.547 . . 1 . 1 1 21 CYS HA . . . . . . . . . . 189 . 18729 11 54 2 1 . . 57.166 . . 1 . 1 1 21 CYS CA . . . . . . . . . . 74 . 18729 11 55 1 1 . . 4.548 . . 1 . 1 1 31 ASN HA . . . . . . . . . . 158 . 18729 11 55 2 1 . . 54.901 . . 1 . 1 1 31 ASN CA . . . . . . . . . . 68 . 18729 11 56 1 1 . . 5.253 . . 1 . 1 1 29 CYS HA . . . . . . . . . . 164 . 18729 11 56 2 1 . . 53.566 . . 1 . 1 1 29 CYS CA . . . . . . . . . . 88 . 18729 11 57 1 1 . . 5.033 . . 1 . 1 1 28 GLU HA . . . . . . . . . . 167 . 18729 11 57 2 1 . . 54.771 . . 1 . 1 1 28 GLU CA . . . . . . . . . . 89 . 18729 11 58 1 1 . . 4.863 . . 1 . 1 1 19 TRP HA . . . . . . . . . . 195 . 18729 11 58 2 1 . . 55.769 . . 1 . 1 1 19 TRP CA . . . . . . . . . . 77 . 18729 11 59 1 1 . . 4.835 . . 1 . 1 1 20 CYS HA . . . . . . . . . . 192 . 18729 11 59 2 1 . . 55.339 . . 1 . 1 1 20 CYS CA . . . . . . . . . . 75 . 18729 11 60 1 1 . . 4.787 . . 1 . 1 1 16 MET HA . . . . . . . . . . 201 . 18729 11 60 2 1 . . 55.035 . . 1 . 1 1 16 MET CA . . . . . . . . . . 83 . 18729 11 61 1 1 . . 4.840 . . 1 . 1 1 23 ARG HA . . . . . . . . . . 182 . 18729 11 61 2 1 . . 54.276 . . 1 . 1 1 23 ARG CA . . . . . . . . . . 102 . 18729 11 62 1 1 . . 4.809 . . 1 . 1 1 3 CYS HA . . . . . . . . . . 231 . 18729 11 62 2 1 . . 54.086 . . 1 . 1 1 3 CYS CA . . . . . . . . . . 111 . 18729 11 63 1 1 . . 4.738 . . 1 . 1 1 30 ARG HA . . . . . . . . . . 161 . 18729 11 63 2 1 . . 53.871 . . 1 . 1 1 30 ARG CA . . . . . . . . . . 86 . 18729 11 64 1 1 . . 4.860 . . 1 . 1 1 18 ASP HA . . . . . . . . . . 198 . 18729 11 64 2 1 . . 53.592 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 80 . 18729 11 65 1 1 . . 4.678 . . 1 . 1 1 24 CYS HA . . . . . . . . . . 179 . 18729 11 65 2 1 . . 56.739 . . 1 . 1 1 24 CYS CA . . . . . . . . . . 100 . 18729 11 66 1 1 . . 4.692 . . 1 . 1 1 9 PHE HA . . . . . . . . . . 216 . 18729 11 66 2 1 . . 58.647 . . 1 . 1 1 9 PHE CA . . . . . . . . . . 106 . 18729 11 67 1 1 . . 4.496 . . 1 . 1 1 10 CYS HA . . . . . . . . . . 237 . 18729 11 67 2 1 . . 50.183 . . 1 . 1 1 10 CYS CA . . . . . . . . . . 109 . 18729 11 68 1 1 . . 3.838 . . 1 . 1 1 13 PRO HD2 . . . . . . . . . . 252 . 18729 11 68 1 2 . . 3.838 . . 1 . 1 1 13 PRO HD3 . . . . . . . . . . 251 . 18729 11 68 2 1 . . 51.766 . . 1 . 1 1 13 PRO CD . . . . . . . . . . 287 . 18729 11 69 1 1 . . 2.663 . . 1 . 1 1 11 PRO HD3 . . . . . . . . . . 282 . 18729 11 69 2 1 . . 49.750 . . 1 . 1 1 11 PRO CD . . . . . . . . . . 280 . 18729 11 70 1 1 . . 2.404 . . 1 . 1 1 11 PRO HD2 . . . . . . . . . . 281 . 18729 11 70 2 1 . . 49.752 . . 1 . 1 1 11 PRO CD . . . . . . . . . . 280 . 18729 11 71 1 1 . . 3.019 . . 1 . 1 1 10 CYS HB2 . . . . . . . . . . 238 . 18729 11 71 2 1 . . 46.706 . . 1 . 1 1 10 CYS CB . . . . . . . . . . 108 . 18729 11 72 1 1 . . 2.936 . . 1 . 1 1 10 CYS HB3 . . . . . . . . . . 239 . 18729 11 72 2 1 . . 46.708 . . 1 . 1 1 10 CYS CB . . . . . . . . . . 108 . 18729 11 73 1 1 . . 3.516 . . 1 . 1 1 32 GLY HA3 . . . . . . . . . . 242 . 18729 11 73 2 1 . . 46.148 . . 1 . 1 1 32 GLY CA . . . . . . . . . . 84 . 18729 11 74 1 1 . . 3.752 . . 1 . 1 1 32 GLY HA2 . . . . . . . . . . 241 . 18729 11 74 2 1 . . 46.064 . . 1 . 1 1 32 GLY CA . . . . . . . . . . 84 . 18729 11 75 1 1 . . 3.569 . . 1 . 1 1 8 GLY HA3 . . . . . . . . . . 217 . 18729 11 75 2 1 . . 44.761 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 110 . 18729 11 76 1 1 . . 3.792 . . 1 . 1 1 22 GLY HA2 . . . . . . . . . . 185 . 18729 11 76 2 1 . . 44.694 . . 1 . 1 1 22 GLY CA . . . . . . . . . . 72 . 18729 11 77 1 1 . . 3.820 . . 1 . 1 1 7 GLY HA3 . . . . . . . . . . 219 . 18729 11 77 2 1 . . 44.713 . . 1 . 1 1 7 GLY CA . . . . . . . . . . 95 . 18729 11 78 1 1 . . 3.798 . . 1 . 1 1 17 GLY HA2 . . . . . . . . . . 156 . 18729 11 78 2 1 . . 44.398 . . 1 . 1 1 17 GLY CA . . . . . . . . . . 81 . 18729 11 79 1 1 . . 4.263 . . 1 . 1 1 8 GLY HA2 . . . . . . . . . . 218 . 18729 11 79 2 1 . . 44.776 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 110 . 18729 11 80 1 1 . . 4.237 . . 1 . 1 1 22 GLY HA3 . . . . . . . . . . 186 . 18729 11 80 2 1 . . 44.705 . . 1 . 1 1 22 GLY CA . . . . . . . . . . 72 . 18729 11 81 1 1 . . 4.483 . . 1 . 1 1 7 GLY HA2 . . . . . . . . . . 220 . 18729 11 81 2 1 . . 44.761 . . 1 . 1 1 7 GLY CA . . . . . . . . . . 95 . 18729 11 82 1 1 . . 4.381 . . 1 . 1 1 17 GLY HA3 . . . . . . . . . . 157 . 18729 11 82 2 1 . . 44.519 . . 1 . 1 1 17 GLY CA . . . . . . . . . . 81 . 18729 11 83 1 1 . . 3.205 . . 1 . 1 1 23 ARG HD2 . . . . . . . . . . 265 . 18729 11 83 1 2 . . 3.205 . . 1 . 1 1 23 ARG HD3 . . . . . . . . . . 266 . 18729 11 83 2 1 . . 43.814 . . 1 . 1 1 23 ARG CD . . . . . . . . . . 297 . 18729 11 84 1 2 . . 3.258 . . 1 . 1 1 30 ARG HD2 . . . . . . . . . . 274 . 18729 11 84 2 1 . . 43.380 . . 1 . 1 1 30 ARG CD . . . . . . . . . . 299 . 18729 11 85 1 2 . . 3.292 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 11 85 2 1 . . 43.476 . . 1 . 1 1 26 ARG CD . . . . . . . . . . 295 . 18729 11 86 1 1 . . 3.026 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 11 86 1 2 . . 3.026 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 11 86 2 1 . . 42.283 . . 1 . 1 1 15 LYS CE . . . . . . . . . . 289 . 18729 11 87 1 1 . . 3.043 . . 1 . 1 1 3 CYS HB3 . . . . . . . . . . 229 . 18729 11 87 2 1 . . 41.571 . . 1 . 1 1 3 CYS CB . . . . . . . . . . 112 . 18729 11 88 1 1 . . 3.105 . . 1 . 1 1 3 CYS HB2 . . . . . . . . . . 230 . 18729 11 88 2 1 . . 41.544 . . 1 . 1 1 3 CYS CB . . . . . . . . . . 112 . 18729 11 89 1 1 . . 3.125 . . 1 . 1 1 18 ASP HB3 . . . . . . . . . . 197 . 18729 11 89 2 1 . . 41.789 . . 1 . 1 1 18 ASP CB . . . . . . . . . . 79 . 18729 11 90 1 1 . . 2.339 . . 1 . 1 1 18 ASP HB2 . . . . . . . . . . 196 . 18729 11 90 2 1 . . 42.007 . . 1 . 1 1 18 ASP CB . . . . . . . . . . 79 . 18729 11 91 1 1 . . 2.775 . . 1 . 1 1 12 ASP HB3 . . . . . . . . . . 301 . 18729 11 91 2 1 . . 40.988 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 118 . 18729 11 92 1 1 . . 2.565 . . 1 . 1 1 12 ASP HB2 . . . . . . . . . . 302 . 18729 11 92 2 1 . . 40.975 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 118 . 18729 11 93 1 1 . . 3.435 . . 1 . 1 1 24 CYS HB2 . . . . . . . . . . 181 . 18729 11 93 2 1 . . 39.267 . . 1 . 1 1 24 CYS CB . . . . . . . . . . 103 . 18729 11 94 1 1 . . 3.383 . . 1 . 1 1 9 PHE HB2 . . . . . . . . . . 215 . 18729 11 94 2 1 . . 39.796 . . 1 . 1 1 9 PHE CB . . . . . . . . . . 107 . 18729 11 95 1 1 . . 3.248 . . 1 . 1 1 21 CYS HB3 . . . . . . . . . . 188 . 18729 11 95 2 1 . . 38.830 . . 1 . 1 1 21 CYS CB . . . . . . . . . . 73 . 18729 11 96 1 1 . . 3.278 . . 1 . 1 1 27 ASN HB2 . . . . . . . . . . 171 . 18729 11 96 2 1 . . 38.043 . . 1 . 1 1 27 ASN CB . . . . . . . . . . 92 . 18729 11 97 1 1 . . 3.666 . . 1 . 1 1 29 CYS HB2 . . . . . . . . . . 165 . 18729 11 97 2 1 . . 36.081 . . 1 . 1 1 29 CYS CB . . . . . . . . . . 87 . 18729 11 98 1 1 . . 2.823 . . 1 . 1 1 9 PHE HB3 . . . . . . . . . . 214 . 18729 11 98 2 1 . . 39.620 . . 1 . 1 1 9 PHE CB . . . . . . . . . . 107 . 18729 11 99 1 1 . . 2.681 . . 1 . 1 1 24 CYS HB3 . . . . . . . . . . 180 . 18729 11 99 2 1 . . 39.195 . . 1 . 1 1 24 CYS CB . . . . . . . . . . 103 . 18729 11 100 1 1 . . 2.722 . . 1 . 1 1 21 CYS HB2 . . . . . . . . . . 187 . 18729 11 100 2 1 . . 38.696 . . 1 . 1 1 21 CYS CB . . . . . . . . . . 73 . 18729 11 101 1 1 . . 2.834 . . 1 . 1 1 31 ASN HB2 . . . . . . . . . . 159 . 18729 11 101 2 1 . . 38.322 . . 1 . 1 1 31 ASN CB . . . . . . . . . . 71 . 18729 11 102 1 1 . . 2.934 . . 1 . 1 1 31 ASN HB3 . . . . . . . . . . 160 . 18729 11 102 2 1 . . 38.277 . . 1 . 1 1 31 ASN CB . . . . . . . . . . 71 . 18729 11 103 1 1 . . 2.886 . . 1 . 1 1 27 ASN HB3 . . . . . . . . . . 172 . 18729 11 103 2 1 . . 37.868 . . 1 . 1 1 27 ASN CB . . . . . . . . . . 92 . 18729 11 104 1 1 . . 2.856 . . 1 . 1 1 6 ASN HB2 . . . . . . . . . . 222 . 18729 11 104 2 1 . . 37.477 . . 1 . 1 1 6 ASN CB . . . . . . . . . . 70 . 18729 11 105 1 1 . . 2.755 . . 1 . 1 1 6 ASN HB3 . . . . . . . . . . 221 . 18729 11 105 2 1 . . 37.473 . . 1 . 1 1 6 ASN CB . . . . . . . . . . 70 . 18729 11 106 1 1 . . 3.033 . . 1 . 1 1 20 CYS HB2 . . . . . . . . . . 191 . 18729 11 106 2 1 . . 36.695 . . 1 . 1 1 20 CYS CB . . . . . . . . . . 76 . 18729 11 107 1 1 . . 2.751 . . 1 . 1 1 29 CYS HB3 . . . . . . . . . . 166 . 18729 11 107 2 1 . . 36.084 . . 1 . 1 1 29 CYS CB . . . . . . . . . . 87 . 18729 11 108 1 1 . . 2.687 . . 1 . 1 1 20 CYS HB3 . . . . . . . . . . 190 . 18729 11 108 2 1 . . 36.698 . . 1 . 1 1 20 CYS CB . . . . . . . . . . 76 . 18729 11 109 1 1 . . 2.420 . . 1 . 1 1 5 GLU HG2 . . . . . . . . . . 250 . 18729 11 109 2 1 . . 35.981 . . 1 . 1 1 5 GLU CG . . . . . . . . . . 279 . 18729 11 110 1 1 . . 2.346 . . 1 . 1 1 5 GLU HG3 . . . . . . . . . . 249 . 18729 11 110 2 1 . . 35.962 . . 1 . 1 1 5 GLU CG . . . . . . . . . . 279 . 18729 11 111 1 1 . . 2.305 . . 1 . 1 1 2 GLU HG2 . . . . . . . . . . 245 . 18729 11 111 1 2 . . 2.305 . . 1 . 1 1 2 GLU HG3 . . . . . . . . . . 246 . 18729 11 111 2 1 . . 36.404 . . 1 . 1 1 2 GLU CG . . . . . . . . . . 276 . 18729 11 112 1 1 . . 2.345 . . 1 . 1 1 14 GLU HG2 . . . . . . . . . . 256 . 18729 11 112 2 1 . . 36.692 . . 1 . 1 1 14 GLU CG . . . . . . . . . . 288 . 18729 11 113 1 1 . . 2.257 . . 1 . 1 1 14 GLU HG3 . . . . . . . . . . 255 . 18729 11 113 2 1 . . 36.705 . . 1 . 1 1 14 GLU CG . . . . . . . . . . 288 . 18729 11 114 1 1 . . 2.162 . . 1 . 1 1 28 GLU HG3 . . . . . . . . . . 272 . 18729 11 114 1 2 . . 2.162 . . 1 . 1 1 28 GLU HG2 . . . . . . . . . . 273 . 18729 11 114 2 1 . . 37.022 . . 1 . 1 1 28 GLU CG . . . . . . . . . . 298 . 18729 11 115 1 1 . . 1.773 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 11 115 2 1 . . 39.704 . . 1 . 1 1 25 ILE CB . . . . . . . . . . 104 . 18729 11 116 1 1 . . 1.620 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 11 116 2 1 . . 28.036 . . 1 . 1 1 26 ARG CG . . . . . . . . . . 296 . 18729 11 117 1 2 . . 1.561 . . 1 . 1 1 23 ARG HG2 . . . . . . . . . . 323 . 18729 11 117 2 1 . . 26.673 . . 1 . 1 1 23 ARG CG . . . . . . . . . . 322 . 18729 11 118 1 1 . . 1.666 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 11 118 2 1 . . 28.042 . . 1 . 1 1 26 ARG CG . . . . . . . . . . 296 . 18729 11 119 1 1 . . 1.523 . . 1 . 1 1 23 ARG HG3 . . . . . . . . . . 321 . 18729 11 119 2 1 . . 26.673 . . 1 . 1 1 23 ARG CG . . . . . . . . . . 322 . 18729 11 120 1 1 . . 1.764 . . 1 . 1 1 30 ARG HG2 . . . . . . . . . . 324 . 18729 11 120 1 2 . . 1.764 . . 1 . 1 1 30 ARG HG3 . . . . . . . . . . 326 . 18729 11 120 2 1 . . 26.841 . . 1 . 1 1 30 ARG CG . . . . . . . . . . 325 . 18729 11 121 1 1 . . 2.080 . . 1 . 1 1 13 PRO HG2 . . . . . . . . . . 253 . 18729 11 121 2 1 . . 27.784 . . 1 . 1 1 13 PRO CG . . . . . . . . . . 286 . 18729 11 122 1 1 . . 3.194 . . 1 . 1 1 30 ARG HD3 . . . . . . . . . . 275 . 18729 11 122 2 1 . . 43.363 . . 1 . 1 1 30 ARG CD . . . . . . . . . . 299 . 18729 11 123 1 1 . . 3.221 . . 1 . 1 1 26 ARG HD2 . . . . . . . . . . 270 . 18729 11 123 2 1 . . 43.476 . . 1 . 1 1 26 ARG CD . . . . . . . . . . 295 . 18729 11 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12 _Spectral_peak_list.Entry_ID 18729 _Spectral_peak_list.ID 12 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '2D 1H-13C 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 . . H 1 1H . . 5937.5000000 . . . . . . . 18729 12 2 . . C 13 13C . . 11904.7619048 . . . . . . . 18729 12 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 12 2 1.0 . . 18729 12 3 1.0 . . 18729 12 4 1.0 . . 18729 12 5 1.0 . . 18729 12 6 1.0 . . 18729 12 7 1.0 . . 18729 12 8 1.0 . . 18729 12 9 1.0 . . 18729 12 10 1.0 . . 18729 12 11 1.0 . . 18729 12 12 1.0 . . 18729 12 13 1.0 . . 18729 12 14 1.0 . . 18729 12 15 1.0 . . 18729 12 16 1.0 . . 18729 12 17 1.0 . . 18729 12 18 1.0 . . 18729 12 19 1.0 . . 18729 12 20 1.0 . . 18729 12 21 1.0 . . 18729 12 22 1.0 . . 18729 12 23 1.0 . . 18729 12 24 1.0 . . 18729 12 25 1.0 . . 18729 12 26 1.0 . . 18729 12 27 1.0 . . 18729 12 28 1.0 . . 18729 12 29 1.0 . . 18729 12 30 1.0 . . 18729 12 31 1.0 . . 18729 12 32 1.0 . . 18729 12 33 1.0 . . 18729 12 34 1.0 . . 18729 12 35 1.0 . . 18729 12 36 1.0 . . 18729 12 37 1.0 . . 18729 12 38 1.0 . . 18729 12 39 1.0 . . 18729 12 40 1.0 . . 18729 12 41 1.0 . . 18729 12 42 1.0 . . 18729 12 43 1.0 . . 18729 12 44 1.0 . . 18729 12 45 1.0 . . 18729 12 46 1.0 . . 18729 12 47 1.0 . . 18729 12 48 1.0 . . 18729 12 49 1.0 . . 18729 12 50 1.0 . . 18729 12 51 1.0 . . 18729 12 52 1.0 . . 18729 12 53 1.0 . . 18729 12 54 1.0 . . 18729 12 55 1.0 . . 18729 12 56 1.0 . . 18729 12 57 1.0 . . 18729 12 58 1.0 . . 18729 12 59 1.0 . . 18729 12 60 1.0 . . 18729 12 61 1.0 . . 18729 12 62 1.0 . . 18729 12 63 1.0 . . 18729 12 64 1.0 . . 18729 12 65 1.0 . . 18729 12 66 1.0 . . 18729 12 67 1.0 . . 18729 12 68 1.0 . . 18729 12 69 1.0 . . 18729 12 70 1.0 . . 18729 12 71 1.0 . . 18729 12 72 1.0 . . 18729 12 73 1.0 . . 18729 12 74 1.0 . . 18729 12 75 1.0 . . 18729 12 76 1.0 . . 18729 12 77 1.0 . . 18729 12 78 1.0 . . 18729 12 79 1.0 . . 18729 12 80 1.0 . . 18729 12 81 1.0 . . 18729 12 82 1.0 . . 18729 12 83 1.0 . . 18729 12 84 1.0 . . 18729 12 85 1.0 . . 18729 12 86 1.0 . . 18729 12 87 1.0 . . 18729 12 88 1.0 . . 18729 12 89 1.0 . . 18729 12 90 1.0 . . 18729 12 91 1.0 . . 18729 12 92 1.0 . . 18729 12 93 1.0 . . 18729 12 94 1.0 . . 18729 12 95 1.0 . . 18729 12 96 1.0 . . 18729 12 97 1.0 . . 18729 12 98 1.0 . . 18729 12 99 1.0 . . 18729 12 100 1.0 . . 18729 12 101 1.0 . . 18729 12 102 1.0 . . 18729 12 103 1.0 . . 18729 12 104 1.0 . . 18729 12 105 1.0 . . 18729 12 106 1.0 . . 18729 12 107 1.0 . . 18729 12 108 1.0 . . 18729 12 109 1.0 . . 18729 12 110 1.0 . . 18729 12 111 1.0 . . 18729 12 112 1.0 . . 18729 12 113 1.0 . . 18729 12 114 1.0 . . 18729 12 115 1.0 . . 18729 12 116 1.0 . . 18729 12 117 1.0 . . 18729 12 118 1.0 . . 18729 12 119 1.0 . . 18729 12 120 1.0 . . 18729 12 121 1.0 . . 18729 12 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 4070091.5000 . height 18729 12 1 31137080.2500 . volume 18729 12 2 950053.9375 . height 18729 12 2 7030021.9375 . volume 18729 12 3 1006713.0625 . height 18729 12 3 7489075.6875 . volume 18729 12 4 607762.9375 . height 18729 12 4 4704483.5000 . volume 18729 12 5 1468969.0000 . height 18729 12 5 10922055.3750 . volume 18729 12 6 1035059.8750 . height 18729 12 6 7684358.0625 . volume 18729 12 7 208396.6875 . height 18729 12 7 1531259.6875 . volume 18729 12 8 776301.8750 . height 18729 12 8 5820097.2500 . volume 18729 12 9 592365.6875 . height 18729 12 9 4465281.9375 . volume 18729 12 10 511096.0625 . height 18729 12 10 3818500.7500 . volume 18729 12 11 293985.8125 . height 18729 12 11 2181194.1875 . volume 18729 12 12 1290430.0000 . height 18729 12 12 9526194.5000 . volume 18729 12 13 1035147.7500 . height 18729 12 13 7779735.3750 . volume 18729 12 14 628483.5625 . height 18729 12 14 4688824.1875 . volume 18729 12 15 288888.7500 . height 18729 12 15 2159793.3125 . volume 18729 12 16 230278.3125 . height 18729 12 16 1688696.3750 . volume 18729 12 17 -11627.1250 . height 18729 12 17 -59016.9375 . volume 18729 12 18 32687.4375 . height 18729 12 18 263144.1875 . 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1 1.651 . 26.94785594940 . . . . . . . . . . 1 18729 12 79 2 34.629 . 39.46253231590 . . . . . . . . . . 1 18729 12 80 1 1.762 . 22.70072698590 . . . . . . . . . . 1 18729 12 80 2 34.383 . 42.16177122930 . . . . . . . . . . 1 18729 12 81 1 1.900 . 35.12054681780 . . . . . . . . . . 1 18729 12 81 2 34.022 . 48.99147010980 . . . . . . . . . . 1 18729 12 82 1 1.804 . 145.67881822600 . . . . . . . . . . 1 18729 12 82 2 34.058 . 52.22005503520 . . . . . . . . . . 1 18729 12 83 1 2.077 . 27.76563167570 . . . . . . . . . . 1 18729 12 83 2 34.388 . 38.57201053980 . . . . . . . . . . 1 18729 12 84 1 2.285 . 33.97017717360 . . . . . . . . . . 1 18729 12 84 2 34.021 . 37.44732765920 . . . . . . . . . . 1 18729 12 85 1 2.134 . 30.35604953770 . . . . . . . . . . 1 18729 12 85 2 32.433 . 36.64479369210 . . . . . . . . . . 1 18729 12 86 1 2.004 . 42.90968179700 . . . . . . . . . . 1 18729 12 86 2 31.951 . 122.02135154200 . . . . . . . . . . 1 18729 12 87 1 1.947 . 33.52999687190 . . . . . . . . . . 1 18729 12 87 2 32.590 . 38.85939007710 . . . . . . . . . . 1 18729 12 88 1 1.892 . 29.11478281020 . . . . . . . . . . 1 18729 12 88 2 33.678 . 148.43685286400 . . . . . . . . . . 1 18729 12 89 1 1.707 . 43.39605569840 . . . . . . . . . . 1 18729 12 89 2 33.879 . 87.48116947360 . . . . . . . . . . 1 18729 12 90 1 1.669 . 26.93533897400 . . . . . . . . . . 1 18729 12 90 2 32.598 . 37.35863027120 . . . . . . . . . . 1 18729 12 91 1 2.203 . 33.71477127080 . . . . . . . . . . 1 18729 12 91 2 30.617 . 39.49801127120 . . . . . . . . . . 1 18729 12 92 1 2.133 . 31.76808357240 . . . . . . . . . . 1 18729 12 92 2 30.432 . 39.89182767410 . . . . . . . . . . 1 18729 12 93 1 2.014 . 36.71675920490 . . . . . . . . . . 1 18729 12 93 2 30.621 . 38.98711431590 . . . . . . . . . . 1 18729 12 94 1 1.919 . 32.99385309220 . . . . . . . . . . 1 18729 12 94 2 30.421 . 38.29669384730 . . . . . . . . . . 1 18729 12 95 1 2.073 . 25.52628517150 . . . . . . . . . . 1 18729 12 95 2 29.045 . 37.49203114280 . . . . . . . . . . 1 18729 12 96 1 1.972 . 28.30207347870 . . . . . . . . . . 1 18729 12 96 2 27.843 . 51.18406954270 . . . . . . . . . . 1 18729 12 97 1 1.984 . 35.36194562910 . . . . . . . . . . 1 18729 12 97 2 27.698 . 41.90348443530 . . . . . . . . . . 1 18729 12 98 1 1.817 . 35.59619188310 . . . . . . . . . . 1 18729 12 98 2 27.695 . 36.97971502940 . . . . . . . . . . 1 18729 12 99 1 1.705 . 35.53122282030 . . . . . . . . . . 1 18729 12 99 2 29.046 . 39.86060619350 . . . . . . . . . . 1 18729 12 100 1 2.198 . 11.43276691440 . . . . . . . . . . 1 18729 12 100 2 17.357 . 39.02259327120 . . . . . . . . . . 1 18729 12 101 1 1.493 . 30.71904182430 . . . . . . . . . . 1 18729 12 101 2 25.381 . 37.85462606520 . . . . . . . . . . 1 18729 12 102 1 1.401 . 31.31389617920 . . . . . . . . . . 1 18729 12 102 2 25.378 . 39.33055060250 . . . . . . . . . . 1 18729 12 103 1 0.812 . 38.01226615910 . . . . . . . . . . 1 18729 12 103 2 25.892 . 38.02208673390 . . . . . . . . . . 1 18729 12 104 1 0.711 . 27.54926681520 . . . . . . . . . . 1 18729 12 104 2 25.891 . 37.92842229210 . . . . . . . . . . 1 18729 12 105 1 1.191 . 15.93381166460 . . . . . . . . . . 1 18729 12 105 2 22.195 . 38.42087019060 . . . . . . . . . . 1 18729 12 106 1 0.969 . 15.86198806760 . . . . . . . . . . 1 18729 12 106 2 22.118 . 38.46273535770 . . . . . . . . . . 1 18729 12 107 1 0.882 . 15.78778028490 . . . . . . . . . . 1 18729 12 107 2 16.984 . 38.15619718460 . . . . . . . . . . 1 18729 12 108 1 0.788 . 18.11265945430 . . . . . . . . . . 1 18729 12 108 2 12.092 . 39.28513753980 . . . . . . . . . . 1 18729 12 109 1 1.622 . 53.91985177990 . . . . . . . . . . 1 18729 12 109 2 28.070 . 40.83769662040 . . . . . . . . . . 1 18729 12 110 1 1.556 . 53.39354276660 . . . . . . . . . . 1 18729 12 110 2 26.685 . 43.04377805620 . . . . . . . . . . 1 18729 12 111 1 1.524 . 51.65547132490 . . . . . . . . . . 1 18729 12 111 2 26.689 . 43.97545542040 . . . . . . . . . . 1 18729 12 112 1 1.665 . 57.09648132320 . . . . . . . . . . 1 18729 12 112 2 28.063 . 41.29821345920 . . . . . . . . . . 1 18729 12 113 1 1.763 . 23.37366342540 . . . . . . . . . . 1 18729 12 113 2 26.813 . 38.92821925030 . . . . . . . . . . 1 18729 12 114 1 1.412 . 31.27425909040 . . . . . . . . . . 1 18729 12 114 2 26.558 . 37.22097192490 . . . . . . . . . . 1 18729 12 115 1 1.111 . 31.41790628430 . . . . . . . . . . 1 18729 12 115 2 26.567 . 38.00789515180 . . . . . . . . . . 1 18729 12 116 1 2.082 . 27.48638391490 . . . . . . . . . . 1 18729 12 116 2 27.792 . 38.36481344130 . . . . . . . . . . 1 18729 12 117 1 3.194 . 75.34593343730 . . . . . . . . . . 1 18729 12 117 2 43.363 . 94.58157278240 . . . . . . . . . . 1 18729 12 118 1 3.295 . 88.70661258700 . . . . . . . . . . 1 18729 12 118 2 43.473 . 40.79228355770 . . . . . . . . . . 1 18729 12 119 1 3.975 . 16.86841249470 . . . . . . . . . . 1 18729 12 119 2 57.957 . 37.09785995030 . . . . . . . . . . 1 18729 12 120 1 3.949 . 76.66915655140 . . . . . . . . . . 1 18729 12 120 2 64.309 . 37.50551314580 . . . . . . . . . . 1 18729 12 121 1 3.972 . 78.63402366640 . . . . . . . . . . 1 18729 12 121 2 64.309 . 38.18032287420 . . . . . . . . . . 1 18729 12 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 . . 3.891 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 12 1 2 1 . . 64.191 . . 1 . 1 1 4 VAL CA . . . . . . . . . . 98 . 18729 12 2 1 1 . . 4.184 . . 1 . 1 1 13 PRO HA . . . . . . . . . . 208 . 18729 12 2 2 1 . . 63.909 . . 1 . 1 1 13 PRO CA . . . . . . . . . . 116 . 18729 12 3 1 1 . . 4.072 . . 1 . 1 1 11 PRO HA . . . . . . . . . . 213 . 18729 12 3 2 1 . . 60.962 . . 1 . 1 1 11 PRO CA . . . . . . . . . . 120 . 18729 12 4 1 1 . . 4.280 . . 1 . 1 1 25 ILE HA . . . . . . . . . . 177 . 18729 12 4 2 1 . . 60.342 . . 1 . 1 1 25 ILE CA . . . . . . . . . . 105 . 18729 12 5 1 1 . . 4.089 . . 1 . 1 1 14 GLU HA . . . . . . . . . . 205 . 18729 12 5 2 1 . . 58.779 . . 1 . 1 1 14 GLU CA . . . . . . . . . . 115 . 18729 12 6 1 1 . . 3.773 . . 1 . 1 1 26 ARG HA . . . . . . . . . . 173 . 18729 12 6 2 1 . . 57.660 . . 1 . 1 1 26 ARG CA . . . . . . . . . . 93 . 18729 12 7 1 1 . . 4.536 . . 1 . 1 1 21 CYS HA . . . . . . . . . . 189 . 18729 12 7 2 1 . . 57.148 . . 1 . 1 1 21 CYS CA . . . . . . . . . . 74 . 18729 12 8 1 1 . . 4.454 . . 1 . 1 1 2 GLU HA . . . . . . . . . . 234 . 18729 12 8 2 1 . . 56.354 . . 1 . 1 1 2 GLU CA . . . . . . . . . . 153 . 18729 12 9 1 1 . . 4.326 . . 1 . 1 1 27 ASN HA . . . . . . . . . . 170 . 18729 12 9 2 1 . . 57.458 . . 1 . 1 1 27 ASN CA . . . . . . . . . . 91 . 18729 12 10 1 1 . . 4.406 . . 1 . 1 1 15 LYS HA . . . . . . . . . . 204 . 18729 12 10 2 1 . . 57.351 . . 1 . 1 1 15 LYS CA . . . . . . . . . . 113 . 18729 12 11 1 1 . . 4.549 . . 1 . 1 1 31 ASN HA . . . . . . . . . . 158 . 18729 12 11 2 1 . . 54.897 . . 1 . 1 1 31 ASN CA . . . . . . . . . . 68 . 18729 12 12 1 1 . . 4.092 . . 1 . 1 1 5 GLU HA . . . . . . . . . . 226 . 18729 12 12 2 1 . . 56.213 . . 1 . 1 1 5 GLU CA . . . . . . . . . . 96 . 18729 12 13 1 1 . . 4.085 . . 1 . 1 1 6 ASN HA . . . . . . . . . . 223 . 18729 12 13 2 1 . . 54.272 . . 1 . 1 1 6 ASN CA . . . . . . . . . . 69 . 18729 12 14 1 1 . . 4.396 . . 1 . 1 1 12 ASP HA . . . . . . . . . . 240 . 18729 12 14 2 1 . . 52.528 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 119 . 18729 12 15 1 1 . . 4.496 . . 1 . 1 1 10 CYS HA . . . . . . . . . . 237 . 18729 12 15 2 1 . . 50.185 . . 1 . 1 1 10 CYS CA . . . . . . . . . . 109 . 18729 12 16 1 1 . . 5.252 . . 1 . 1 1 29 CYS HA . . . . . . . . . . 164 . 18729 12 16 2 1 . . 53.607 . . 1 . 1 1 29 CYS CA . . . . . . . . . . 88 . 18729 12 17 1 1 . . 5.048 . . 1 . 1 1 28 GLU HA . . . . . . . . . . 167 . 18729 12 17 2 1 . . 54.796 . . 1 . 1 1 28 GLU CA . . . . . . . . . . 89 . 18729 12 18 1 1 . . 4.692 . . 1 . 1 1 9 PHE HA . . . . . . . . . . 216 . 18729 12 18 2 1 . . 58.555 . . 1 . 1 1 9 PHE CA . . . . . . . . . . 106 . 18729 12 19 1 1 . . 4.697 . . 1 . 1 1 24 CYS HA . . . . . . . . . . 179 . 18729 12 19 2 1 . . 56.846 . . 1 . 1 1 24 CYS CA . . . . . . . . . . 100 . 18729 12 20 1 1 . . 4.862 . . 1 . 1 1 19 TRP HA . . . . . . . . . . 195 . 18729 12 20 2 1 . . 55.755 . . 1 . 1 1 19 TRP CA . . . . . . . . . . 77 . 18729 12 21 1 1 . . 4.834 . . 1 . 1 1 20 CYS HA . . . . . . . . . . 192 . 18729 12 21 2 1 . . 55.350 . . 1 . 1 1 20 CYS CA . . . . . . . . . . 75 . 18729 12 22 1 1 . . 4.793 . . 1 . 1 1 16 MET HA . . . . . . . . . . 201 . 18729 12 22 2 1 . . 55.038 . . 1 . 1 1 16 MET CA . . . . . . . . . . 83 . 18729 12 23 1 1 . . 4.832 . . 1 . 1 1 23 ARG HA . . . . . . . . . . 182 . 18729 12 23 2 1 . . 54.377 . . 1 . 1 1 23 ARG CA . . . . . . . . . . 102 . 18729 12 24 1 1 . . 4.804 . . 1 . 1 1 3 CYS HA . . . . . . . . . . 231 . 18729 12 24 2 1 . . 54.166 . . 1 . 1 1 3 CYS CA . . . . . . . . . . 111 . 18729 12 25 1 1 . . 4.737 . . 1 . 1 1 30 ARG HA . . . . . . . . . . 161 . 18729 12 25 2 1 . . 53.927 . . 1 . 1 1 30 ARG CA . . . . . . . . . . 86 . 18729 12 26 1 1 . . 4.865 . . 1 . 1 1 18 ASP HA . . . . . . . . . . 198 . 18729 12 26 2 1 . . 53.620 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 80 . 18729 12 27 1 1 . . 3.836 . . 1 . 1 1 13 PRO HD3 . . . . . . . . . . 251 . 18729 12 27 1 2 . . 3.836 . . 1 . 1 1 13 PRO HD2 . . . . . . . . . . 252 . 18729 12 27 2 1 . . 51.756 . . 1 . 1 1 13 PRO CD . . . . . . . . . . 287 . 18729 12 28 1 1 . . 2.662 . . 1 . 1 1 11 PRO HD3 . . . . . . . . . . 282 . 18729 12 28 2 1 . . 49.745 . . 1 . 1 1 11 PRO CD . . . . . . . . . . 280 . 18729 12 29 1 1 . . 2.404 . . 1 . 1 1 11 PRO HD2 . . . . . . . . . . 281 . 18729 12 29 2 1 . . 49.745 . . 1 . 1 1 11 PRO CD . . . . . . . . . . 280 . 18729 12 30 1 1 . . 3.018 . . 1 . 1 1 10 CYS HB2 . . . . . . . . . . 238 . 18729 12 30 2 1 . . 46.699 . . 1 . 1 1 10 CYS CB . . . . . . . . . . 108 . 18729 12 31 1 1 . . 2.937 . . 1 . 1 1 10 CYS HB3 . . . . . . . . . . 239 . 18729 12 31 2 1 . . 46.696 . . 1 . 1 1 10 CYS CB . . . . . . . . . . 108 . 18729 12 32 1 1 . . 4.483 . . 1 . 1 1 7 GLY HA2 . . . . . . . . . . 220 . 18729 12 32 2 1 . . 44.828 . . 1 . 1 1 7 GLY CA . . . . . . . . . . 95 . 18729 12 33 1 1 . . 4.382 . . 1 . 1 1 17 GLY HA3 . . . . . . . . . . 157 . 18729 12 33 2 1 . . 44.517 . . 1 . 1 1 17 GLY CA . . . . . . . . . . 81 . 18729 12 34 1 1 . . 4.263 . . 1 . 1 1 8 GLY HA2 . . . . . . . . . . 218 . 18729 12 34 2 1 . . 44.757 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 110 . 18729 12 35 1 1 . . 4.236 . . 1 . 1 1 22 GLY HA3 . . . . . . . . . . 186 . 18729 12 35 2 1 . . 44.719 . . 1 . 1 1 22 GLY CA . . . . . . . . . . 72 . 18729 12 36 1 1 . . 3.826 . . 1 . 1 1 7 GLY HA3 . . . . . . . . . . 219 . 18729 12 36 2 1 . . 44.817 . . 1 . 1 1 7 GLY CA . . . . . . . . . . 95 . 18729 12 37 1 1 . . 3.796 . . 1 . 1 1 22 GLY HA2 . . . . . . . . . . 185 . 18729 12 37 2 1 . . 44.759 . . 1 . 1 1 22 GLY CA . . . . . . . . . . 72 . 18729 12 38 1 1 . . 3.801 . . 1 . 1 1 17 GLY HA2 . . . . . . . . . . 156 . 18729 12 38 2 1 . . 44.409 . . 1 . 1 1 17 GLY CA . . . . . . . . . . 81 . 18729 12 39 1 1 . . 3.758 . . 1 . 1 1 32 GLY HA2 . . . . . . . . . . 241 . 18729 12 39 2 1 . . 46.129 . . 1 . 1 1 32 GLY CA . . . . . . . . . . 84 . 18729 12 40 1 1 . . 3.515 . . 1 . 1 1 32 GLY HA3 . . . . . . . . . . 242 . 18729 12 40 2 1 . . 46.113 . . 1 . 1 1 32 GLY CA . . . . . . . . . . 84 . 18729 12 41 1 1 . . 3.563 . . 1 . 1 1 8 GLY HA3 . . . . . . . . . . 217 . 18729 12 41 2 1 . . 44.699 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 110 . 18729 12 42 1 1 . . 3.206 . . 1 . 1 1 23 ARG HD2 . . . . . . . . . . 265 . 18729 12 42 1 2 . . 3.206 . . 1 . 1 1 23 ARG HD3 . . . . . . . . . . 266 . 18729 12 42 2 1 . . 43.732 . . 1 . 1 1 23 ARG CD . . . . . . . . . . 297 . 18729 12 43 1 2 . . 3.221 . . 1 . 1 1 26 ARG HD2 . . . . . . . . . . 270 . 18729 12 43 2 1 . . 43.487 . . 1 . 1 1 26 ARG CD . . . . . . . . . . 295 . 18729 12 44 1 2 . . 3.258 . . 1 . 1 1 30 ARG HD2 . . . . . . . . . . 274 . 18729 12 44 2 1 . . 43.353 . . 1 . 1 1 30 ARG CD . . . . . . . . . . 299 . 18729 12 45 1 1 . . 3.025 . . 1 . 1 1 15 LYS HE3 . . . . . . . . . . 258 . 18729 12 45 1 2 . . 3.025 . . 1 . 1 1 15 LYS HE2 . . . . . . . . . . 257 . 18729 12 45 2 1 . . 42.279 . . 1 . 1 1 15 LYS CE . . . . . . . . . . 289 . 18729 12 46 1 1 . . 3.113 . . 1 . 1 1 3 CYS HB2 . . . . . . . . . . 230 . 18729 12 46 2 1 . . 41.563 . . 1 . 1 1 3 CYS CB . . . . . . . . . . 112 . 18729 12 47 1 1 . . 3.044 . . 1 . 1 1 3 CYS HB3 . . . . . . . . . . 229 . 18729 12 47 2 1 . . 41.561 . . 1 . 1 1 3 CYS CB . . . . . . . . . . 112 . 18729 12 48 1 1 . . 3.136 . . 1 . 1 1 18 ASP HB3 . . . . . . . . . . 197 . 18729 12 48 2 1 . . 42.000 . . 1 . 1 1 18 ASP CB . . . . . . . . . . 79 . 18729 12 49 1 1 . . 3.662 . . 1 . 1 1 29 CYS HB2 . . . . . . . . . . 165 . 18729 12 49 2 1 . . 36.084 . . 1 . 1 1 29 CYS CB . . . . . . . . . . 87 . 18729 12 50 1 1 . . 3.450 . . 1 . 1 1 24 CYS HB2 . . . . . . . . . . 181 . 18729 12 50 2 1 . . 39.255 . . 1 . 1 1 24 CYS CB . . . . . . . . . . 103 . 18729 12 51 1 1 . . 3.381 . . 1 . 1 1 9 PHE HB2 . . . . . . . . . . 215 . 18729 12 51 2 1 . . 39.792 . . 1 . 1 1 9 PHE CB . . . . . . . . . . 107 . 18729 12 52 1 1 . . 3.280 . . 1 . 1 1 27 ASN HB2 . . . . . . . . . . 171 . 18729 12 52 2 1 . . 38.030 . . 1 . 1 1 27 ASN CB . . . . . . . . . . 92 . 18729 12 53 1 1 . . 3.255 . . 1 . 1 1 21 CYS HB3 . . . . . . . . . . 188 . 18729 12 53 2 1 . . 38.789 . . 1 . 1 1 21 CYS CB . . . . . . . . . . 73 . 18729 12 54 1 1 . . 2.777 . . 1 . 1 1 12 ASP HB3 . . . . . . . . . . 301 . 18729 12 54 2 1 . . 40.961 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 118 . 18729 12 55 1 1 . . 2.569 . . 1 . 1 1 12 ASP HB2 . . . . . . . . . . 302 . 18729 12 55 2 1 . . 40.948 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 118 . 18729 12 56 1 1 . . 2.342 . . 1 . 1 1 18 ASP HB2 . . . . . . . . . . 196 . 18729 12 56 2 1 . . 41.992 . . 1 . 1 1 18 ASP CB . . . . . . . . . . 79 . 18729 12 57 1 1 . . 1.773 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 12 57 2 1 . . 39.694 . . 1 . 1 1 25 ILE CB . . . . . . . . . . 104 . 18729 12 58 1 1 . . 2.841 . . 1 . 1 1 9 PHE HB3 . . . . . . . . . . 214 . 18729 12 58 2 1 . . 39.792 . . 1 . 1 1 9 PHE CB . . . . . . . . . . 107 . 18729 12 59 1 1 . . 2.735 . . 1 . 1 1 21 CYS HB2 . . . . . . . . . . 187 . 18729 12 59 2 1 . . 38.811 . . 1 . 1 1 21 CYS CB . . . . . . . . . . 73 . 18729 12 60 1 1 . . 2.686 . . 1 . 1 1 24 CYS HB3 . . . . . . . . . . 180 . 18729 12 60 2 1 . . 39.253 . . 1 . 1 1 24 CYS CB . . . . . . . . . . 103 . 18729 12 61 1 1 . . 2.832 . . 1 . 1 1 31 ASN HB2 . . . . . . . . . . 159 . 18729 12 61 2 1 . . 38.318 . . 1 . 1 1 31 ASN CB . . . . . . . . . . 71 . 18729 12 62 1 1 . . 2.944 . . 1 . 1 1 31 ASN HB3 . . . . . . . . . . 160 . 18729 12 62 2 1 . . 38.315 . . 1 . 1 1 31 ASN CB . . . . . . . . . . 71 . 18729 12 63 1 1 . . 2.897 . . 1 . 1 1 27 ASN HB3 . . . . . . . . . . 172 . 18729 12 63 2 1 . . 38.024 . . 1 . 1 1 27 ASN CB . . . . . . . . . . 92 . 18729 12 64 1 1 . . 2.860 . . 1 . 1 1 6 ASN HB2 . . . . . . . . . . 222 . 18729 12 64 2 1 . . 37.475 . . 1 . 1 1 6 ASN CB . . . . . . . . . . 70 . 18729 12 65 1 1 . . 2.754 . . 1 . 1 1 6 ASN HB3 . . . . . . . . . . 221 . 18729 12 65 2 1 . . 37.471 . . 1 . 1 1 6 ASN CB . . . . . . . . . . 70 . 18729 12 66 1 1 . . 3.033 . . 1 . 1 1 20 CYS HB2 . . . . . . . . . . 191 . 18729 12 66 2 1 . . 36.692 . . 1 . 1 1 20 CYS CB . . . . . . . . . . 76 . 18729 12 67 1 1 . . 2.687 . . 1 . 1 1 20 CYS HB3 . . . . . . . . . . 190 . 18729 12 67 2 1 . . 36.686 . . 1 . 1 1 20 CYS CB . . . . . . . . . . 76 . 18729 12 68 1 1 . . 2.751 . . 1 . 1 1 29 CYS HB3 . . . . . . . . . . 166 . 18729 12 68 2 1 . . 36.080 . . 1 . 1 1 29 CYS CB . . . . . . . . . . 87 . 18729 12 69 1 1 . . 2.350 . . 1 . 1 1 14 GLU HG2 . . . . . . . . . . 256 . 18729 12 69 2 1 . . 36.727 . . 1 . 1 1 14 GLU CG . . . . . . . . . . 288 . 18729 12 70 1 1 . . 2.261 . . 1 . 1 1 14 GLU HG3 . . . . . . . . . . 255 . 18729 12 70 2 1 . . 36.726 . . 1 . 1 1 14 GLU CG . . . . . . . . . . 288 . 18729 12 71 1 1 . . 2.159 . . 1 . 1 1 28 GLU HG3 . . . . . . . . . . 272 . 18729 12 71 1 2 . . 2.159 . . 1 . 1 1 28 GLU HG2 . . . . . . . . . . 273 . 18729 12 71 2 1 . . 37.044 . . 1 . 1 1 28 GLU CG . . . . . . . . . . 298 . 18729 12 72 1 1 . . 2.304 . . 1 . 1 1 2 GLU HG2 . . . . . . . . . . 245 . 18729 12 72 1 2 . . 2.304 . . 1 . 1 1 2 GLU HG3 . . . . . . . . . . 246 . 18729 12 72 2 1 . . 36.397 . . 1 . 1 1 2 GLU CG . . . . . . . . . . 276 . 18729 12 73 1 1 . . 2.419 . . 1 . 1 1 5 GLU HG2 . . . . . . . . . . 250 . 18729 12 73 2 1 . . 35.966 . . 1 . 1 1 5 GLU CG . . . . . . . . . . 279 . 18729 12 74 1 1 . . 2.351 . . 1 . 1 1 5 GLU HG3 . . . . . . . . . . 249 . 18729 12 74 2 1 . . 35.965 . . 1 . 1 1 5 GLU CG . . . . . . . . . . 279 . 18729 12 75 1 1 . . 2.531 . . 1 . 1 1 16 MET HG3 . . . . . . . . . . 264 . 18729 12 75 2 1 . . 32.906 . . 1 . 1 1 16 MET CG . . . . . . . . . . 292 . 18729 12 76 1 1 . . 2.483 . . 1 . 1 1 16 MET HG2 . . . . . . . . . . 263 . 18729 12 76 2 1 . . 32.899 . . 1 . 1 1 16 MET CG . . . . . . . . . . 292 . 18729 12 77 1 1 . . 3.616 . . 1 . 1 1 19 TRP HB3 . . . . . . . . . . 194 . 18729 12 77 2 1 . . 30.251 . . 1 . 1 1 19 TRP CB . . . . . . . . . . 78 . 18729 12 78 1 1 . . 3.035 . . 1 . 1 1 19 TRP HB2 . . . . . . . . . . 193 . 18729 12 78 2 1 . . 30.251 . . 1 . 1 1 19 TRP CB . . . . . . . . . . 78 . 18729 12 79 1 1 . . 1.651 . . 1 . 1 1 23 ARG HB2 . . . . . . . . . . 183 . 18729 12 79 1 2 . . 1.651 . . 1 . 1 1 23 ARG HB3 . . . . . . . . . . 184 . 18729 12 79 2 1 . . 34.629 . . 1 . 1 1 23 ARG CB . . . . . . . . . . 101 . 18729 12 80 1 1 . . 1.762 . . 1 . 1 1 30 ARG HB2 . . . . . . . . . . 162 . 18729 12 80 2 1 . . 34.383 . . 1 . 1 1 30 ARG CB . . . . . . . . . . 85 . 18729 12 81 1 1 . . 1.900 . . 1 . 1 1 15 LYS HB3 . . . . . . . . . . 203 . 18729 12 81 2 1 . . 34.022 . . 1 . 1 1 15 LYS CB . . . . . . . . . . 140 . 18729 12 82 1 1 . . 1.804 . . 1 . 1 1 15 LYS HB2 . . . . . . . . . . 202 . 18729 12 82 2 1 . . 34.058 . . 1 . 1 1 15 LYS CB . . . . . . . . . . 140 . 18729 12 83 1 1 . . 2.077 . . 1 . 1 1 30 ARG HB3 . . . . . . . . . . 163 . 18729 12 83 2 1 . . 34.388 . . 1 . 1 1 30 ARG CB . . . . . . . . . . 85 . 18729 12 84 1 1 . . 2.285 . . 1 . 1 1 16 MET HB3 . . . . . . . . . . 200 . 18729 12 84 2 1 . . 34.021 . . 1 . 1 1 16 MET CB . . . . . . . . . . 82 . 18729 12 85 1 1 . . 2.134 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 12 85 2 1 . . 32.433 . . 1 . 1 1 4 VAL CB . . . . . . . . . . 99 . 18729 12 86 1 1 . . 2.004 . . 1 . 1 1 13 PRO HB3 . . . . . . . . . . 209 . 18729 12 86 1 2 . . 2.004 . . 1 . 1 1 13 PRO HB2 . . . . . . . . . . 210 . 18729 12 86 2 1 . . 31.951 . . 1 . 1 1 13 PRO CB . . . . . . . . . . 117 . 18729 12 87 1 1 . . 1.947 . . 1 . 1 1 11 PRO HB3 . . . . . . . . . . 212 . 18729 12 87 2 1 . . 32.590 . . 1 . 1 1 11 PRO CB . . . . . . . . . . 121 . 18729 12 88 1 1 . . 1.892 . . 1 . 1 1 28 GLU HB2 . . . . . . . . . . 169 . 18729 12 88 1 2 . . 1.892 . . 1 . 1 1 28 GLU HB3 . . . . . . . . . . 168 . 18729 12 88 2 1 . . 33.678 . . 1 . 1 1 28 GLU CB . . . . . . . . . . 90 . 18729 12 89 1 1 . . 1.707 . . 1 . 1 1 16 MET HB2 . . . . . . . . . . 199 . 18729 12 89 2 1 . . 33.879 . . 1 . 1 1 16 MET CB . . . . . . . . . . 82 . 18729 12 90 1 1 . . 1.669 . . 1 . 1 1 11 PRO HB2 . . . . . . . . . . 211 . 18729 12 90 2 1 . . 32.598 . . 1 . 1 1 11 PRO CB . . . . . . . . . . 121 . 18729 12 91 1 1 . . 2.203 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 12 91 2 1 . . 30.617 . . 1 . 1 1 5 GLU CB . . . . . . . . . . 97 . 18729 12 92 1 2 . . 2.133 . . 1 . 1 1 2 GLU HB3 . . . . . . . . . . 233 . 18729 12 92 2 2 . . 30.432 . . 1 . 1 1 2 GLU CB . . . . . . . . . . 152 . 18729 12 93 1 1 . . 2.014 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 12 93 2 1 . . 30.621 . . 1 . 1 1 5 GLU CB . . . . . . . . . . 97 . 18729 12 94 1 1 . . 1.919 . . 1 . 1 1 2 GLU HB2 . . . . . . . . . . 232 . 18729 12 94 2 1 . . 30.421 . . 1 . 1 1 2 GLU CB . . . . . . . . . . 152 . 18729 12 95 1 1 . . 2.073 . . 1 . 1 1 14 GLU HB3 . . . . . . . . . . 206 . 18729 12 95 1 2 . . 2.073 . . 1 . 1 1 14 GLU HB2 . . . . . . . . . . 207 . 18729 12 95 2 1 . . 29.045 . . 1 . 1 1 14 GLU CB . . . . . . . . . . 114 . 18729 12 96 1 2 . . 1.972 . . 1 . 1 1 13 PRO HG3 . . . . . . . . . . 254 . 18729 12 96 2 1 . . 27.843 . . 1 . 1 1 13 PRO CG . . . . . . . . . . 286 . 18729 12 97 1 1 . . 1.984 . . 1 . 1 1 26 ARG HB3 . . . . . . . . . . 176 . 18729 12 97 2 1 . . 27.698 . . 1 . 1 1 26 ARG CB . . . . . . . . . . 94 . 18729 12 98 1 1 . . 1.817 . . 1 . 1 1 26 ARG HB2 . . . . . . . . . . 174 . 18729 12 98 2 1 . . 27.695 . . 1 . 1 1 26 ARG CB . . . . . . . . . . 94 . 18729 12 99 1 1 . . 1.705 . . 1 . 1 1 15 LYS HD2 . . . . . . . . . . 262 . 18729 12 99 1 2 . . 1.705 . . 1 . 1 1 15 LYS HD3 . . . . . . . . . . 261 . 18729 12 99 2 1 . . 29.046 . . 1 . 1 1 15 LYS CD . . . . . . . . . . 290 . 18729 12 100 1 1 . . 2.198 . . 1 . 1 1 16 MET ME . . . . . . . . . . 244 . 18729 12 100 2 1 . . 17.357 . . 1 . 1 1 16 MET CE . . . . . . . . . . 243 . 18729 12 101 1 1 . . 1.493 . . 1 . 1 1 15 LYS HG3 . . . . . . . . . . 260 . 18729 12 101 2 1 . . 25.381 . . 1 . 1 1 15 LYS CG . . . . . . . . . . 291 . 18729 12 102 1 1 . . 1.401 . . 1 . 1 1 15 LYS HG2 . . . . . . . . . . 259 . 18729 12 102 2 1 . . 25.378 . . 1 . 1 1 15 LYS CG . . . . . . . . . . 291 . 18729 12 103 1 1 . . 0.812 . . 1 . 1 1 11 PRO HG2 . . . . . . . . . . 285 . 18729 12 103 2 1 . . 25.892 . . 1 . 1 1 11 PRO CG . . . . . . . . . . 283 . 18729 12 104 1 1 . . 0.711 . . 1 . 1 1 11 PRO HG3 . . . . . . . . . . 284 . 18729 12 104 2 1 . . 25.891 . . 1 . 1 1 11 PRO CG . . . . . . . . . . 283 . 18729 12 105 1 1 . . 1.191 . . 1 . 1 1 4 VAL MG2 . . . . . . . . . . 248 . 18729 12 105 2 1 . . 22.195 . . 1 . 1 1 4 VAL CG2 . . . . . . . . . . 277 . 18729 12 106 1 1 . . 0.969 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 12 106 2 1 . . 22.118 . . 1 . 1 1 4 VAL CG1 . . . . . . . . . . 278 . 18729 12 107 1 1 . . 0.882 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 12 107 2 1 . . 16.984 . . 1 . 1 1 25 ILE CG2 . . . . . . . . . . 294 . 18729 12 108 1 1 . . 0.788 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 12 108 2 1 . . 12.092 . . 1 . 1 1 25 ILE CD1 . . . . . . . . . . 293 . 18729 12 109 1 1 . . 1.622 . . 1 . 1 1 26 ARG HG2 . . . . . . . . . . 175 . 18729 12 109 2 1 . . 28.070 . . 1 . 1 1 26 ARG CG . . . . . . . . . . 296 . 18729 12 110 1 1 . . 1.556 . . 1 . 1 1 23 ARG HG2 . . . . . . . . . . 323 . 18729 12 110 2 1 . . 26.685 . . 1 . 1 1 23 ARG CG . . . . . . . . . . 322 . 18729 12 111 1 1 . . 1.524 . . 1 . 1 1 23 ARG HG3 . . . . . . . . . . 321 . 18729 12 111 2 1 . . 26.689 . . 1 . 1 1 23 ARG CG . . . . . . . . . . 322 . 18729 12 112 1 1 . . 1.665 . . 1 . 1 1 26 ARG HG3 . . . . . . . . . . 271 . 18729 12 112 2 1 . . 28.063 . . 1 . 1 1 26 ARG CG . . . . . . . . . . 296 . 18729 12 113 1 1 . . 1.763 . . 1 . 1 1 30 ARG HG2 . . . . . . . . . . 324 . 18729 12 113 1 2 . . 1.763 . . 1 . 1 1 30 ARG HG3 . . . . . . . . . . 326 . 18729 12 113 2 1 . . 26.813 . . 1 . 1 1 30 ARG CG . . . . . . . . . . 325 . 18729 12 114 1 1 . . 1.412 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 12 114 2 1 . . 26.558 . . 1 . 1 1 25 ILE CG1 . . . . . . . . . . 329 . 18729 12 115 1 1 . . 1.111 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 12 115 2 1 . . 26.567 . . 1 . 1 1 25 ILE CG1 . . . . . . . . . . 329 . 18729 12 116 1 1 . . 2.082 . . 1 . 1 1 13 PRO HG2 . . . . . . . . . . 253 . 18729 12 116 2 1 . . 27.792 . . 1 . 1 1 13 PRO CG . . . . . . . . . . 286 . 18729 12 117 1 1 . . 3.194 . . 1 . 1 1 30 ARG HD3 . . . . . . . . . . 275 . 18729 12 117 2 1 . . 43.363 . . 1 . 1 1 30 ARG CD . . . . . . . . . . 299 . 18729 12 118 1 1 . . 3.295 . . 1 . 1 1 26 ARG HD3 . . . . . . . . . . 269 . 18729 12 118 2 1 . . 43.473 . . 1 . 1 1 26 ARG CD . . . . . . . . . . 295 . 18729 12 119 1 1 . . 3.975 . . 1 . 1 1 1 SER HA . . . . . . . . . . 330 . 18729 12 119 2 1 . . 57.957 . . 1 . 1 1 1 SER CA . . . . . . . . . . 331 . 18729 12 120 1 1 . . 3.949 . . 1 . 1 1 1 SER HB3 . . . . . . . . . . 332 . 18729 12 120 2 1 . . 64.309 . . 1 . 1 1 1 SER CB . . . . . . . . . . 333 . 18729 12 121 1 1 . . 3.972 . . 1 . 1 1 1 SER HB2 . . . . . . . . . . 334 . 18729 12 121 2 2 . . 64.309 . . 1 . 1 1 1 SER CB . . . . . . . . . . 333 . 18729 12 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13 _Spectral_peak_list.Entry_ID 18729 _Spectral_peak_list.ID 13 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 13 _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 . . H 1 1H . . 2968.750000 . . . . . . . 18729 13 2 . . N 15 15N . . 2128.626325 . . . . . . . 18729 13 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 13 2 1.0 . . 18729 13 3 1.0 . . 18729 13 4 1.0 . . 18729 13 5 1.0 . . 18729 13 6 1.0 . . 18729 13 7 1.0 . . 18729 13 8 1.0 . . 18729 13 9 1.0 . . 18729 13 10 1.0 . . 18729 13 11 1.0 . . 18729 13 12 1.0 . . 18729 13 13 1.0 . . 18729 13 14 1.0 . . 18729 13 15 1.0 . . 18729 13 16 1.0 . . 18729 13 17 1.0 . . 18729 13 18 1.0 . . 18729 13 19 1.0 . . 18729 13 20 1.0 . . 18729 13 21 1.0 . . 18729 13 22 1.0 . . 18729 13 23 1.0 . . 18729 13 24 1.0 . . 18729 13 25 1.0 . . 18729 13 26 1.0 . . 18729 13 27 1.0 . . 18729 13 28 1.0 . . 18729 13 29 1.0 . . 18729 13 30 1.0 . . 18729 13 31 1.0 . . 18729 13 32 1.0 . . 18729 13 33 1.0 . . 18729 13 34 1.0 . . 18729 13 35 1.0 . . 18729 13 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 1633614.2500 . height 18729 13 1 13185656.0000 . volume 18729 13 2 2069859.6250 . height 18729 13 2 16288143.0000 . volume 18729 13 3 1200606.0000 . height 18729 13 3 9750031.8750 . volume 18729 13 4 1672008.6250 . height 18729 13 4 13202093.6250 . volume 18729 13 5 1129379.7500 . height 18729 13 5 9136588.8125 . volume 18729 13 6 1780903.3750 . height 18729 13 6 14197842.0000 . volume 18729 13 7 1743761.6250 . height 18729 13 7 13992991.1250 . volume 18729 13 8 1660216.2500 . height 18729 13 8 13383965.6250 . volume 18729 13 9 1933174.2500 . height 18729 13 9 15114476.7500 . volume 18729 13 10 2018307.3750 . height 18729 13 10 15856466.1250 . volume 18729 13 11 1043871.3125 . height 18729 13 11 8366235.1875 . volume 18729 13 12 1899018.5000 . height 18729 13 12 15101170.6250 . volume 18729 13 13 1611280.5000 . height 18729 13 13 12935591.8750 . volume 18729 13 14 1698628.0000 . height 18729 13 14 13459262.5000 . volume 18729 13 15 2037320.3750 . height 18729 13 15 16003061.0000 . volume 18729 13 16 2382956.5000 . height 18729 13 16 18854493.8750 . volume 18729 13 17 1939626.8750 . height 18729 13 17 15545861.5000 . volume 18729 13 18 2299615.5000 . height 18729 13 18 18125368.7500 . volume 18729 13 19 2265914.7500 . height 18729 13 19 17969404.6250 . volume 18729 13 20 2209842.2500 . height 18729 13 20 17240977.1250 . volume 18729 13 21 2026606.1250 . height 18729 13 21 16308808.8750 . volume 18729 13 22 1678499.2500 . height 18729 13 22 13359336.5000 . volume 18729 13 23 1914656.8750 . height 18729 13 23 15375914.2500 . volume 18729 13 24 1518341.5000 . height 18729 13 24 12233438.5000 . volume 18729 13 25 1758286.2500 . height 18729 13 25 14165254.3750 . volume 18729 13 26 1838740.7500 . height 18729 13 26 14902993.8750 . volume 18729 13 27 1973525.1250 . height 18729 13 27 16059014.7500 . volume 18729 13 28 2034939.0000 . height 18729 13 28 15993610.1250 . volume 18729 13 29 1579076.8750 . height 18729 13 29 12814917.2500 . volume 18729 13 30 1597101.5000 . height 18729 13 30 12951393.1250 . volume 18729 13 31 1744734.2500 . height 18729 13 31 14039085.0000 . volume 18729 13 32 1846643.1250 . height 18729 13 32 14764055.6250 . volume 18729 13 33 1182227.1250 . height 18729 13 33 9458642.6875 . volume 18729 13 34 950483.2500 . height 18729 13 34 7583470.3750 . volume 18729 13 35 1838787.6250 . height 18729 13 35 14578696.5000 . volume 18729 13 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.765 . 22.5076079369 . . . . . . . . . . 1 18729 13 1 2 132.466 . 32.3415053031 . . . . . . . . . . 1 18729 13 2 1 9.006 . 19.8716670275 . . . . . . . . . . 1 18729 13 2 2 129.752 . 32.4788644499 . . . . . . . . . . 1 18729 13 3 1 9.291 . 24.3539363146 . . . . . . . . . . 1 18729 13 3 2 128.815 . 33.1669765224 . . . . . . . . . . 1 18729 13 4 1 9.816 . 20.3736871481 . . . . . . . . . . 1 18729 13 4 2 127.173 . 30.8668412291 . . . . . . . . . . 1 18729 13 5 1 10.624 . 23.3401916921 . . . . . . . . . . 1 18729 13 5 2 127.119 . 33.9377483194 . . . . . . . . . . 1 18729 13 6 1 8.226 . 21.1329758167 . . . . . . . . . . 1 18729 13 6 2 126.838 . 33.2653688728 . . . . . . . . . . 1 18729 13 7 1 9.162 . 21.7671692371 . . . . . . . . . . 1 18729 13 7 2 125.300 . 32.3089140265 . . . . . . . . . . 1 18729 13 8 1 9.622 . 22.1291929483 . . . . . . . . . . 1 18729 13 8 2 125.080 . 34.7265999487 . . . . . . . . . . 1 18729 13 9 1 8.995 . 19.1092491150 . . . . . . . . . . 1 18729 13 9 2 125.067 . 32.2595592563 . . . . . . . . . . 1 18729 13 10 1 9.265 . 19.8139995337 . . . . . . . . . . 1 18729 13 10 2 122.599 . 31.8349686689 . . . . . . . . . . 1 18729 13 11 1 6.935 . 21.5886533260 . . . . . . . . . . 1 18729 13 11 2 122.540 . 34.5381890649 . . . . . . . . . . 1 18729 13 12 1 8.810 . 20.6330418587 . . . . . . . . . . 1 18729 13 12 2 121.853 . 33.5120792859 . . . . . . . . . . 1 18729 13 13 1 7.879 . 21.3827192783 . . . . . . . . . . 1 18729 13 13 2 121.242 . 35.3703054156 . . . . . . . . . . 1 18729 13 14 1 9.448 . 20.1894342899 . . . . . . . . . . 1 18729 13 14 2 120.693 . 34.0795322672 . . . . . . . . . . 1 18729 13 15 1 8.449 . 19.3737447262 . . . . . . . . . . 1 18729 13 15 2 120.566 . 32.9935370086 . . . . . . . . . . 1 18729 13 16 1 8.740 . 20.2180445194 . . . . . . . . . . 1 18729 13 16 2 119.863 . 37.5479419156 . . . . . . . . . . 1 18729 13 17 1 8.623 . 22.0140814781 . . . . . . . . . . 1 18729 13 17 2 119.825 . 33.0206250380 . . . . . . . . . . 1 18729 13 18 1 8.725 . 19.7458267212 . . . . . . . . . . 1 18729 13 18 2 119.248 . 61.3118197051 . . . . . . . . . . 1 18729 13 19 1 8.268 . 20.4220414162 . . . . . . . . . . 1 18729 13 19 2 118.053 . 34.1982882182 . . . . . . . . . . 1 18729 13 20 1 8.134 . 19.1575288773 . . . . . . . . . . 1 18729 13 20 2 117.023 . 31.4290922938 . . . . . . . . . . 1 18729 13 21 1 7.458 . 22.2331285477 . . . . . . . . . . 1 18729 13 21 2 116.261 . 32.7760080793 . . . . . . . . . . 1 18729 13 22 1 8.708 . 20.8212435246 . . . . . . . . . . 1 18729 13 22 2 115.634 . 33.4351289822 . . . . . . . . . . 1 18729 13 23 1 7.935 . 22.2054123878 . . . . . . . . . . 1 18729 13 23 2 114.833 . 32.1083864833 . . . . . . . . . . 1 18729 13 24 1 8.444 . 21.9880044460 . . . . . . . . . . 1 18729 13 24 2 114.535 . 34.7635208693 . . . . . . . . . . 1 18729 13 25 1 9.570 . 22.1928209066 . . . . . . . . . . 1 18729 13 25 2 113.091 . 33.1265665114 . . . . . . . . . . 1 18729 13 26 1 7.656 . 22.4128365517 . . . . . . . . . . 1 18729 13 26 2 112.819 . 37.1697245120 . . . . . . . . . . 1 18729 13 27 1 7.030 . 21.5899944305 . . . . . . . . . . 1 18729 13 27 2 112.795 . 39.2090027165 . . . . . . . . . . 1 18729 13 28 1 7.629 . 18.7969207764 . . . . . . . . . . 1 18729 13 28 2 111.397 . 35.9976438766 . . . . . . . . . . 1 18729 13 29 1 7.041 . 21.7168033123 . . . . . . . . . . 1 18729 13 29 2 111.348 . 37.2246618269 . . . . . . . . . . 1 18729 13 30 1 8.889 . 23.0181217194 . . . . . . . . . . 1 18729 13 30 2 109.340 . 33.8758962616 . . . . . . . . . . 1 18729 13 31 1 7.660 . 22.0444798470 . . . . . . . . . . 1 18729 13 31 2 109.215 . 34.6712820057 . . . . . . . . . . 1 18729 13 32 1 8.328 . 22.0514833927 . . . . . . . . . . 1 18729 13 32 2 108.191 . 34.7279955848 . . . . . . . . . . 1 18729 13 33 1 8.000 . 21.1316347122 . . . . . . . . . . 1 18729 13 33 2 108.108 . 33.7812467537 . . . . . . . . . . 1 18729 13 34 1 6.855 . 21.1882591248 . . . . . . . . . . 1 18729 13 34 2 108.086 . 32.8107721076 . . . . . . . . . . 1 18729 13 35 1 8.395 . 20.5385684967 . . . . . . . . . . 1 18729 13 35 2 106.019 . 30.9864218741 . . . . . . . . . . 1 18729 13 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.765 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 13 1 2 1 . . 132.466 . . 1 . 1 1 25 ILE N . . . . . . . . . . 13 . 18729 13 2 1 1 . . 9.006 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 13 2 2 1 . . 129.752 . . 1 . 1 1 5 GLU N . . . . . . . . . . 6 . 18729 13 3 1 1 . . 9.291 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 13 3 2 1 . . 128.815 . . 1 . 1 1 26 ARG N . . . . . . . . . . 27 . 18729 13 4 1 1 . . 9.816 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 13 4 2 1 . . 127.173 . . 1 . 1 1 19 TRP NE1 . . . . . . . . . . 33 . 18729 13 5 1 1 . . 10.624 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 13 5 2 1 . . 127.119 . . 1 . 1 1 24 CYS N . . . . . . . . . . 41 . 18729 13 6 1 1 . . 8.226 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 13 6 2 1 . . 126.838 . . 1 . 1 1 19 TRP N . . . . . . . . . . 47 . 18729 13 7 1 1 . . 9.162 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 13 7 2 1 . . 125.300 . . 1 . 1 1 23 ARG N . . . . . . . . . . 53 . 18729 13 8 1 1 . . 9.622 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 13 8 2 1 . . 125.080 . . 1 . 1 1 30 ARG N . . . . . . . . . . 60 . 18729 13 9 1 1 . . 8.995 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 13 9 2 1 . . 125.067 . . 1 . 1 1 29 CYS N . . . . . . . . . . 62 . 18729 13 10 1 1 . . 9.265 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 13 10 2 1 . . 122.599 . . 1 . 1 1 21 CYS N . . . . . . . . . . 4 . 18729 13 11 1 1 . . 6.935 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 13 11 2 1 . . 122.540 . . 1 . 1 1 10 CYS N . . . . . . . . . . 10 . 18729 13 12 1 1 . . 8.810 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 13 12 2 1 . . 121.853 . . 1 . 1 1 4 VAL N . . . . . . . . . . 43 . 18729 13 13 1 1 . . 7.879 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 13 13 2 1 . . 121.242 . . 1 . 1 1 28 GLU N . . . . . . . . . . 23 . 18729 13 14 1 1 . . 9.448 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 13 14 2 1 . . 120.693 . . 1 . 1 1 20 CYS N . . . . . . . . . . 31 . 18729 13 15 1 1 . . 8.449 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 13 15 2 1 . . 120.566 . . 1 . 1 1 9 PHE N . . . . . . . . . . 37 . 18729 13 16 1 1 . . 8.740 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 13 16 2 1 . . 119.863 . . 1 . 1 1 14 GLU N . . . . . . . . . . 49 . 18729 13 17 1 1 . . 8.623 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 13 17 2 1 . . 119.825 . . 1 . 1 1 18 ASP N . . . . . . . . . . 57 . 18729 13 18 1 1 . . 8.725 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 13 18 2 1 . . 119.248 . . 1 . 1 1 6 ASN N . . . . . . . . . . 64 . 18729 13 19 1 1 . . 8.268 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 13 19 2 1 . . 118.053 . . 1 . 1 1 3 CYS N . . . . . . . . . . 55 . 18729 13 20 1 1 . . 8.134 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 13 20 2 1 . . 117.023 . . 1 . 1 1 12 ASP N . . . . . . . . . . 15 . 18729 13 21 1 1 . . 7.458 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 13 21 2 1 . . 116.261 . . 1 . 1 1 15 LYS N . . . . . . . . . . 19 . 18729 13 22 1 1 . . 8.708 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 13 22 2 1 . . 115.634 . . 1 . 1 1 31 ASN N . . . . . . . . . . 25 . 18729 13 23 1 1 . . 7.935 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 13 23 2 1 . . 114.833 . . 1 . 1 1 16 MET N . . . . . . . . . . 39 . 18729 13 24 1 1 . . 8.444 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 13 24 2 1 . . 114.535 . . 1 . 1 1 32 GLY N . . . . . . . . . . 45 . 18729 13 25 1 1 . . 9.570 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 13 25 2 1 . . 113.091 . . 1 . 1 1 7 GLY N . . . . . . . . . . 51 . 18729 13 26 1 1 . . 7.656 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 13 26 2 1 . . 112.819 . . 1 . 1 1 31 ASN ND2 . . . . . . . . . . 66 . 18729 13 27 1 1 . . 7.030 . . 1 . 1 1 31 ASN HD22 . . . . . . . . . . 67 . 18729 13 27 2 1 . . 112.795 . . 1 . 1 1 31 ASN ND2 . . . . . . . . . . 66 . 18729 13 28 1 1 . . 7.629 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 13 28 2 1 . . 111.397 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 13 29 1 1 . . 7.041 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 13 29 2 1 . . 111.348 . . 1 . 1 1 6 ASN ND2 . . . . . . . . . . 8 . 18729 13 30 1 1 . . 8.889 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 13 30 2 1 . . 109.340 . . 1 . 1 1 22 GLY N . . . . . . . . . . 17 . 18729 13 31 1 1 . . 7.660 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 13 31 2 1 . . 109.215 . . 1 . 1 1 17 GLY N . . . . . . . . . . 21 . 18729 13 32 1 1 . . 8.328 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 13 32 2 1 . . 108.191 . . 1 . 1 1 8 GLY N . . . . . . . . . . 29 . 18729 13 33 1 1 . . 8.000 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 13 33 2 1 . . 108.108 . . 1 . 1 1 27 ASN ND2 . . . . . . . . . . 35 . 18729 13 34 1 1 . . 6.855 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 13 34 2 1 . . 108.086 . . 1 . 1 1 27 ASN ND2 . . . . . . . . . . 35 . 18729 13 35 1 1 . . 8.395 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 13 35 2 1 . . 106.019 . . 1 . 1 1 27 ASN N . . . . . . . . . . 2 . 18729 13 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14 _Spectral_peak_list.Entry_ID 18729 _Spectral_peak_list.ID 14 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 14 _Spectral_peak_list.Experiment_name '13C HSQC-NOESY (H[{N|C}]_H.through-space)' _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 . . H 1 1H . . 3046.87500000 . . . . . . . 18729 14 2 . . H 1 1H . . 7246.37681159 . . . . . . . 18729 14 3 . . C 13 13C . . 9090.90909091 . . . . . . . 18729 14 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 14 2 1.0 . . 18729 14 3 1.0 . . 18729 14 4 1.0 . . 18729 14 5 1.0 . . 18729 14 6 1.0 . . 18729 14 7 1.0 . . 18729 14 8 1.0 . . 18729 14 9 1.0 . . 18729 14 10 1.0 . . 18729 14 11 1.0 . . 18729 14 12 1.0 . . 18729 14 13 1.0 . . 18729 14 14 1.0 . . 18729 14 15 1.0 . . 18729 14 16 1.0 . . 18729 14 17 1.0 . . 18729 14 18 1.0 . . 18729 14 19 1.0 . . 18729 14 20 1.0 . . 18729 14 21 1.0 . . 18729 14 22 1.0 . . 18729 14 23 1.0 . . 18729 14 24 1.0 . . 18729 14 25 1.0 . . 18729 14 26 1.0 . . 18729 14 27 1.0 . . 18729 14 28 1.0 . . 18729 14 29 1.0 . . 18729 14 30 1.0 . . 18729 14 31 1.0 . . 18729 14 32 1.0 . . 18729 14 33 1.0 . . 18729 14 34 1.0 . . 18729 14 35 1.0 . . 18729 14 36 1.0 . . 18729 14 37 1.0 . . 18729 14 38 1.0 . . 18729 14 39 1.0 . . 18729 14 40 1.0 . . 18729 14 41 1.0 . . 18729 14 42 1.0 . . 18729 14 43 1.0 . . 18729 14 44 1.0 . . 18729 14 45 1.0 . . 18729 14 46 1.0 . . 18729 14 47 1.0 . . 18729 14 48 1.0 . . 18729 14 49 1.0 . . 18729 14 50 1.0 . . 18729 14 51 1.0 . . 18729 14 52 1.0 . . 18729 14 53 1.0 . . 18729 14 54 1.0 . . 18729 14 55 1.0 . . 18729 14 56 1.0 . . 18729 14 57 1.0 . . 18729 14 58 1.0 . . 18729 14 59 1.0 . . 18729 14 60 1.0 . . 18729 14 61 1.0 . . 18729 14 62 1.0 . . 18729 14 63 1.0 . . 18729 14 64 1.0 . . 18729 14 65 1.0 . . 18729 14 66 1.0 . . 18729 14 67 1.0 . . 18729 14 68 1.0 . . 18729 14 69 1.0 . . 18729 14 70 1.0 . . 18729 14 71 1.0 . . 18729 14 72 1.0 . . 18729 14 73 1.0 . . 18729 14 74 1.0 . . 18729 14 75 1.0 . . 18729 14 76 1.0 . . 18729 14 77 1.0 . . 18729 14 78 1.0 . . 18729 14 79 1.0 . . 18729 14 80 1.0 . . 18729 14 81 1.0 . . 18729 14 82 1.0 . . 18729 14 83 1.0 . . 18729 14 84 1.0 . . 18729 14 85 1.0 . . 18729 14 86 1.0 . . 18729 14 87 1.0 . . 18729 14 88 1.0 . . 18729 14 89 1.0 . . 18729 14 90 1.0 . . 18729 14 91 1.0 . . 18729 14 92 1.0 . . 18729 14 93 1.0 . . 18729 14 94 1.0 . . 18729 14 95 1.0 . . 18729 14 96 1.0 . . 18729 14 97 1.0 . . 18729 14 98 1.0 . . 18729 14 99 1.0 . . 18729 14 100 1.0 . . 18729 14 101 1.0 . . 18729 14 102 1.0 . . 18729 14 103 1.0 . . 18729 14 104 1.0 . . 18729 14 105 1.0 . . 18729 14 106 1.0 . . 18729 14 107 1.0 . . 18729 14 108 1.0 . . 18729 14 109 1.0 . . 18729 14 110 1.0 . . 18729 14 111 1.0 . . 18729 14 112 1.0 . . 18729 14 113 1.0 . . 18729 14 114 1.0 . . 18729 14 115 1.0 . . 18729 14 116 1.0 . . 18729 14 117 1.0 . . 18729 14 118 1.0 . . 18729 14 119 1.0 . . 18729 14 120 1.0 . . 18729 14 121 1.0 . . 18729 14 122 1.0 . . 18729 14 123 1.0 . . 18729 14 124 1.0 . . 18729 14 125 1.0 . . 18729 14 126 1.0 . . 18729 14 127 1.0 . . 18729 14 128 1.0 . . 18729 14 129 1.0 . . 18729 14 130 1.0 . . 18729 14 131 1.0 . . 18729 14 132 1.0 . . 18729 14 133 1.0 . . 18729 14 134 1.0 . . 18729 14 135 1.0 . . 18729 14 136 1.0 . . 18729 14 137 1.0 . . 18729 14 138 1.0 . . 18729 14 139 1.0 . . 18729 14 140 1.0 . . 18729 14 141 1.0 . . 18729 14 142 1.0 . . 18729 14 143 1.0 . . 18729 14 144 1.0 . . 18729 14 145 1.0 . . 18729 14 146 1.0 . . 18729 14 147 1.0 . . 18729 14 148 1.0 . . 18729 14 149 1.0 . . 18729 14 150 1.0 . . 18729 14 151 1.0 . . 18729 14 152 1.0 . . 18729 14 153 1.0 . . 18729 14 154 1.0 . . 18729 14 155 1.0 . . 18729 14 156 1.0 . . 18729 14 157 1.0 . . 18729 14 158 1.0 . . 18729 14 159 1.0 . . 18729 14 160 1.0 . . 18729 14 161 1.0 . . 18729 14 162 1.0 . . 18729 14 163 1.0 . . 18729 14 164 1.0 . . 18729 14 165 1.0 . . 18729 14 166 1.0 . . 18729 14 167 1.0 . . 18729 14 168 1.0 . . 18729 14 169 1.0 . . 18729 14 170 1.0 . . 18729 14 171 1.0 . . 18729 14 172 1.0 . . 18729 14 173 1.0 . . 18729 14 174 1.0 . . 18729 14 175 1.0 . . 18729 14 176 1.0 . . 18729 14 177 1.0 . . 18729 14 178 1.0 . . 18729 14 179 1.0 . . 18729 14 180 1.0 . . 18729 14 181 1.0 . . 18729 14 182 1.0 . . 18729 14 183 1.0 . . 18729 14 184 1.0 . . 18729 14 185 1.0 . . 18729 14 186 1.0 . . 18729 14 187 1.0 . . 18729 14 188 1.0 . . 18729 14 189 1.0 . . 18729 14 190 1.0 . . 18729 14 191 1.0 . . 18729 14 192 1.0 . . 18729 14 193 1.0 . . 18729 14 194 1.0 . . 18729 14 195 1.0 . . 18729 14 196 1.0 . . 18729 14 197 1.0 . . 18729 14 198 1.0 . . 18729 14 199 1.0 . . 18729 14 200 1.0 . . 18729 14 201 1.0 . . 18729 14 202 1.0 . . 18729 14 203 1.0 . . 18729 14 204 1.0 . . 18729 14 205 1.0 . . 18729 14 206 1.0 . . 18729 14 207 1.0 . . 18729 14 208 1.0 . . 18729 14 209 1.0 . . 18729 14 210 1.0 . . 18729 14 211 1.0 . . 18729 14 212 1.0 . . 18729 14 213 1.0 . . 18729 14 214 1.0 . . 18729 14 215 1.0 . . 18729 14 216 1.0 . . 18729 14 217 1.0 . . 18729 14 218 1.0 . . 18729 14 219 1.0 . . 18729 14 220 1.0 . . 18729 14 221 1.0 . . 18729 14 222 1.0 . . 18729 14 223 1.0 . . 18729 14 224 1.0 . . 18729 14 225 1.0 . . 18729 14 226 1.0 . . 18729 14 227 1.0 . . 18729 14 228 1.0 . . 18729 14 229 1.0 . . 18729 14 230 1.0 . . 18729 14 231 1.0 . . 18729 14 232 1.0 . . 18729 14 233 1.0 . . 18729 14 234 1.0 . . 18729 14 235 1.0 . . 18729 14 236 1.0 . . 18729 14 237 1.0 . . 18729 14 238 1.0 . . 18729 14 239 1.0 . . 18729 14 240 1.0 . . 18729 14 241 1.0 . . 18729 14 242 1.0 . . 18729 14 243 1.0 . . 18729 14 244 1.0 . . 18729 14 245 1.0 . . 18729 14 246 1.0 . . 18729 14 247 1.0 . . 18729 14 248 1.0 . . 18729 14 249 1.0 . . 18729 14 250 1.0 . . 18729 14 251 1.0 . . 18729 14 252 1.0 . . 18729 14 253 1.0 . . 18729 14 254 1.0 . . 18729 14 255 1.0 . . 18729 14 256 1.0 . . 18729 14 257 1.0 . . 18729 14 258 1.0 . . 18729 14 259 1.0 . . 18729 14 260 1.0 . . 18729 14 261 1.0 . . 18729 14 262 1.0 . . 18729 14 263 1.0 . . 18729 14 264 1.0 . . 18729 14 265 1.0 . . 18729 14 266 1.0 . . 18729 14 267 1.0 . . 18729 14 268 1.0 . . 18729 14 269 1.0 . . 18729 14 270 1.0 . . 18729 14 271 1.0 . . 18729 14 272 1.0 . . 18729 14 273 1.0 . . 18729 14 274 1.0 . . 18729 14 275 1.0 . . 18729 14 276 1.0 . . 18729 14 277 1.0 . . 18729 14 278 1.0 . . 18729 14 279 1.0 . . 18729 14 280 1.0 . . 18729 14 281 1.0 . . 18729 14 282 1.0 . . 18729 14 283 1.0 . . 18729 14 284 1.0 . . 18729 14 285 1.0 . . 18729 14 286 1.0 . . 18729 14 287 1.0 . . 18729 14 288 1.0 . . 18729 14 289 1.0 . . 18729 14 290 1.0 . . 18729 14 291 1.0 . . 18729 14 292 1.0 . . 18729 14 293 1.0 . . 18729 14 294 1.0 . . 18729 14 295 1.0 . . 18729 14 296 1.0 . . 18729 14 297 1.0 . . 18729 14 298 1.0 . . 18729 14 299 1.0 . . 18729 14 300 1.0 . . 18729 14 301 1.0 . . 18729 14 302 1.0 . . 18729 14 303 1.0 . . 18729 14 304 1.0 . . 18729 14 305 1.0 . . 18729 14 306 1.0 . . 18729 14 307 1.0 . . 18729 14 308 1.0 . . 18729 14 309 1.0 . . 18729 14 310 1.0 . . 18729 14 311 1.0 . . 18729 14 312 1.0 . . 18729 14 313 1.0 . . 18729 14 314 1.0 . . 18729 14 315 1.0 . . 18729 14 316 1.0 . . 18729 14 317 1.0 . . 18729 14 318 1.0 . . 18729 14 319 1.0 . . 18729 14 320 1.0 . . 18729 14 321 1.0 . . 18729 14 322 1.0 . . 18729 14 323 1.0 . . 18729 14 324 1.0 . . 18729 14 325 1.0 . . 18729 14 326 1.0 . . 18729 14 327 1.0 . . 18729 14 328 1.0 . . 18729 14 329 1.0 . . 18729 14 330 1.0 . . 18729 14 331 1.0 . . 18729 14 332 1.0 . . 18729 14 333 1.0 . . 18729 14 334 1.0 . . 18729 14 335 1.0 . . 18729 14 336 1.0 . . 18729 14 337 1.0 . . 18729 14 338 1.0 . . 18729 14 339 1.0 . . 18729 14 340 1.0 . . 18729 14 341 1.0 . . 18729 14 342 1.0 . . 18729 14 343 1.0 . . 18729 14 344 1.0 . . 18729 14 345 1.0 . . 18729 14 346 1.0 . . 18729 14 347 1.0 . . 18729 14 348 1.0 . . 18729 14 349 1.0 . . 18729 14 350 1.0 . . 18729 14 351 1.0 . . 18729 14 352 1.0 . . 18729 14 353 1.0 . . 18729 14 354 1.0 . . 18729 14 355 1.0 . . 18729 14 356 1.0 . . 18729 14 357 1.0 . . 18729 14 358 1.0 . . 18729 14 359 1.0 . . 18729 14 360 1.0 . . 18729 14 361 1.0 . . 18729 14 362 1.0 . . 18729 14 363 1.0 . . 18729 14 364 1.0 . . 18729 14 365 1.0 . . 18729 14 366 1.0 . . 18729 14 367 1.0 . . 18729 14 368 1.0 . . 18729 14 369 1.0 . . 18729 14 370 1.0 . . 18729 14 371 1.0 . . 18729 14 372 1.0 . . 18729 14 373 1.0 . . 18729 14 374 1.0 . . 18729 14 375 1.0 . . 18729 14 376 1.0 . . 18729 14 377 1.0 . . 18729 14 378 1.0 . . 18729 14 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. height 18729 14 383 21751815.0 . volume 18729 14 384 985924.5 . height 18729 14 384 22106272.0 . volume 18729 14 385 1744856.0 . height 18729 14 385 39339593.0 . volume 18729 14 386 23888780.0 . height 18729 14 386 539809210.0 . volume 18729 14 387 23031056.0 . height 18729 14 387 527958778.0 . volume 18729 14 388 11541072.0 . height 18729 14 388 252802263.0 . volume 18729 14 389 11941457.0 . height 18729 14 389 264739823.5 . volume 18729 14 390 347666.0 . height 18729 14 390 8225407.5 . volume 18729 14 391 750751.5 . height 18729 14 391 16891412.5 . volume 18729 14 392 458374.0 . height 18729 14 392 10166322.0 . volume 18729 14 393 270874.5 . height 18729 14 393 5771927.5 . volume 18729 14 394 394199.5 . height 18729 14 394 8671862.5 . volume 18729 14 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15 _Spectral_peak_list.Entry_ID 18729 _Spectral_peak_list.ID 15 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 15 _Spectral_peak_list.Experiment_name '15N HSQC-NOESY (H[{N|C}]_H.through-space)' _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 . . H 1 1H . . 2968.75000000 . . . . . . . 18729 15 2 . . H 1 1H . . 7246.37681159 . . . . . . . 18729 15 3 . . N 15 15N . . 2128.62600000 . . . . . . . 18729 15 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 15 2 1.0 . . 18729 15 3 1.0 . . 18729 15 4 1.0 . . 18729 15 5 1.0 . . 18729 15 6 1.0 . . 18729 15 7 1.0 . . 18729 15 8 1.0 . . 18729 15 9 1.0 . . 18729 15 10 1.0 . . 18729 15 11 1.0 . . 18729 15 12 1.0 . . 18729 15 13 1.0 . . 18729 15 14 1.0 . . 18729 15 15 1.0 . . 18729 15 16 1.0 . . 18729 15 17 1.0 . . 18729 15 18 1.0 . . 18729 15 19 1.0 . . 18729 15 20 1.0 . . 18729 15 21 1.0 . . 18729 15 22 1.0 . . 18729 15 23 1.0 . . 18729 15 24 1.0 . . 18729 15 25 1.0 . . 18729 15 26 1.0 . . 18729 15 27 1.0 . . 18729 15 28 1.0 . . 18729 15 29 1.0 . . 18729 15 30 1.0 . . 18729 15 31 1.0 . . 18729 15 32 1.0 . . 18729 15 33 1.0 . . 18729 15 34 1.0 . . 18729 15 35 1.0 . . 18729 15 36 1.0 . . 18729 15 37 1.0 . . 18729 15 38 1.0 . . 18729 15 39 1.0 . . 18729 15 40 1.0 . . 18729 15 41 1.0 . . 18729 15 42 1.0 . . 18729 15 43 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1.0 . . 18729 15 94 1.0 . . 18729 15 95 1.0 . . 18729 15 96 1.0 . . 18729 15 97 1.0 . . 18729 15 98 1.0 . . 18729 15 99 1.0 . . 18729 15 100 1.0 . . 18729 15 101 1.0 . . 18729 15 102 1.0 . . 18729 15 103 1.0 . . 18729 15 104 1.0 . . 18729 15 105 1.0 . . 18729 15 106 1.0 . . 18729 15 107 1.0 . . 18729 15 108 1.0 . . 18729 15 109 1.0 . . 18729 15 110 1.0 . . 18729 15 111 1.0 . . 18729 15 112 1.0 . . 18729 15 113 1.0 . . 18729 15 114 1.0 . . 18729 15 115 1.0 . . 18729 15 116 1.0 . . 18729 15 117 1.0 . . 18729 15 118 1.0 . . 18729 15 119 1.0 . . 18729 15 120 1.0 . . 18729 15 121 1.0 . . 18729 15 122 1.0 . . 18729 15 123 1.0 . . 18729 15 124 1.0 . . 18729 15 125 1.0 . . 18729 15 126 1.0 . . 18729 15 127 1.0 . . 18729 15 128 1.0 . . 18729 15 129 1.0 . . 18729 15 130 1.0 . . 18729 15 131 1.0 . . 18729 15 132 1.0 . . 18729 15 133 1.0 . . 18729 15 134 1.0 . . 18729 15 135 1.0 . . 18729 15 136 1.0 . . 18729 15 137 1.0 . . 18729 15 138 1.0 . . 18729 15 139 1.0 . . 18729 15 140 1.0 . . 18729 15 141 1.0 . . 18729 15 142 1.0 . . 18729 15 143 1.0 . . 18729 15 144 1.0 . . 18729 15 145 1.0 . . 18729 15 146 1.0 . . 18729 15 147 1.0 . . 18729 15 148 1.0 . . 18729 15 149 1.0 . . 18729 15 150 1.0 . . 18729 15 151 1.0 . . 18729 15 152 1.0 . . 18729 15 153 1.0 . . 18729 15 154 1.0 . . 18729 15 155 1.0 . . 18729 15 156 1.0 . . 18729 15 157 1.0 . . 18729 15 158 1.0 . . 18729 15 159 1.0 . . 18729 15 160 1.0 . . 18729 15 161 1.0 . . 18729 15 162 1.0 . . 18729 15 163 1.0 . . 18729 15 164 1.0 . . 18729 15 165 1.0 . . 18729 15 166 1.0 . . 18729 15 167 1.0 . . 18729 15 168 1.0 . . 18729 15 169 1.0 . . 18729 15 170 1.0 . . 18729 15 171 1.0 . . 18729 15 172 1.0 . . 18729 15 173 1.0 . . 18729 15 174 1.0 . . 18729 15 175 1.0 . . 18729 15 176 1.0 . . 18729 15 177 1.0 . . 18729 15 178 1.0 . . 18729 15 179 1.0 . . 18729 15 180 1.0 . . 18729 15 181 1.0 . . 18729 15 182 1.0 . . 18729 15 183 1.0 . . 18729 15 184 1.0 . . 18729 15 185 1.0 . . 18729 15 186 1.0 . . 18729 15 187 1.0 . . 18729 15 188 1.0 . . 18729 15 189 1.0 . . 18729 15 190 1.0 . . 18729 15 191 1.0 . . 18729 15 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 2381211.5 . height 18729 15 1 51274368.5 . volume 18729 15 2 323445.5 . height 18729 15 2 7286723.5 . volume 18729 15 3 691308.5 . height 18729 15 3 15049874.0 . volume 18729 15 4 745687.5 . height 18729 15 4 15132570.0 . volume 18729 15 5 4561207.0 . height 18729 15 5 99846356.0 . volume 18729 15 6 1072670.5 . height 18729 15 6 22747416.0 . volume 18729 15 7 2190912.5 . height 18729 15 7 47594512.0 . volume 18729 15 8 899731.0 . height 18729 15 8 18885921.0 . volume 18729 15 9 3378610.5 . height 18729 15 9 74105734.5 . volume 18729 15 10 3220033.0 . height 18729 15 10 68726185.5 . volume 18729 15 11 440735.5 . height 18729 15 11 9400626.5 . volume 18729 15 12 474857.5 . height 18729 15 12 9846260.5 . 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29800493.0 . volume 18729 15 155 623801.0 . height 18729 15 155 13199717.5 . volume 18729 15 156 1566613.0 . height 18729 15 156 33813955.0 . volume 18729 15 157 403533.0 . height 18729 15 157 8925758.5 . volume 18729 15 158 414047.5 . height 18729 15 158 9157554.5 . volume 18729 15 159 2033655.5 . height 18729 15 159 45592101.0 . volume 18729 15 160 496966.0 . height 18729 15 160 10790164.0 . volume 18729 15 161 830161.5 . height 18729 15 161 17611497.5 . volume 18729 15 162 713603.5 . height 18729 15 162 14836579.5 . volume 18729 15 163 1021307.5 . height 18729 15 163 21930630.5 . volume 18729 15 164 815172.0 . height 18729 15 164 17758458.5 . volume 18729 15 165 4310054.0 . height 18729 15 165 94219217.5 . volume 18729 15 166 729398.5 . height 18729 15 166 15969709.5 . volume 18729 15 167 746573.5 . height 18729 15 167 16073437.5 . volume 18729 15 168 2882953.0 . height 18729 15 168 62929500.0 . volume 18729 15 169 1289324.0 . height 18729 15 169 28084850.5 . volume 18729 15 170 651535.5 . height 18729 15 170 14601383.0 . volume 18729 15 171 2381851.0 . height 18729 15 171 52995811.5 . volume 18729 15 172 597594.5 . height 18729 15 172 12995920.0 . volume 18729 15 173 564495.5 . height 18729 15 173 12078382.0 . volume 18729 15 174 5521859.5 . height 18729 15 174 119256324.5 . volume 18729 15 175 1121705.5 . height 18729 15 175 24430420.5 . volume 18729 15 176 936748.0 . height 18729 15 176 20951166.5 . volume 18729 15 177 262066.5 . height 18729 15 177 6091798.0 . volume 18729 15 178 471920.5 . height 18729 15 178 10684168.0 . volume 18729 15 179 642315.5 . height 18729 15 179 14759704.0 . volume 18729 15 180 552436.0 . height 18729 15 180 12575693.0 . volume 18729 15 181 233145.5 . height 18729 15 181 5377973.5 . volume 18729 15 182 179848.0 . height 18729 15 182 4022501.0 . volume 18729 15 183 2102343.5 . height 18729 15 183 47134239.0 . volume 18729 15 184 1459014.0 . height 18729 15 184 32886727.5 . volume 18729 15 185 667914.5 . height 18729 15 185 15213104.0 . volume 18729 15 186 371553.5 . height 18729 15 186 7539565.5 . volume 18729 15 187 1249103.0 . height 18729 15 187 27548239.5 . volume 18729 15 188 549650.0 . height 18729 15 188 11204367.5 . volume 18729 15 189 404376.5 . height 18729 15 189 8533148.0 . volume 18729 15 190 273134.5 . height 18729 15 190 5711080.5 . volume 18729 15 191 425070.0 . height 18729 15 191 8840436.5 . volume 18729 15 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16 _Spectral_peak_list.Entry_ID 18729 _Spectral_peak_list.ID 16 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 16 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _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 . . H 1 1H . . 10000.0 . . . . . . . 18729 16 2 . . H 1 1H . . 8000.0 . . . . . . . 18729 16 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 16 2 1.0 . . 18729 16 3 1.0 . . 18729 16 4 1.0 . . 18729 16 5 1.0 . . 18729 16 6 1.0 . . 18729 16 7 1.0 . . 18729 16 8 1.0 . . 18729 16 9 1.0 . . 18729 16 10 1.0 . . 18729 16 11 1.0 . . 18729 16 12 1.0 . . 18729 16 13 1.0 . . 18729 16 14 1.0 . . 18729 16 15 1.0 . . 18729 16 16 1.0 . . 18729 16 17 1.0 . . 18729 16 18 1.0 . . 18729 16 19 1.0 . . 18729 16 20 1.0 . . 18729 16 21 1.0 . . 18729 16 22 1.0 . . 18729 16 23 1.0 . . 18729 16 24 1.0 . . 18729 16 25 1.0 . . 18729 16 26 1.0 . . 18729 16 27 1.0 . . 18729 16 28 1.0 . . 18729 16 29 1.0 . . 18729 16 30 1.0 . . 18729 16 31 1.0 . . 18729 16 32 1.0 . . 18729 16 33 1.0 . . 18729 16 34 1.0 . . 18729 16 35 1.0 . . 18729 16 36 1.0 . . 18729 16 37 1.0 . . 18729 16 38 1.0 . . 18729 16 39 1.0 . . 18729 16 40 1.0 . . 18729 16 41 1.0 . . 18729 16 42 1.0 . . 18729 16 43 1.0 . . 18729 16 44 1.0 . . 18729 16 45 1.0 . . 18729 16 46 1.0 . . 18729 16 47 1.0 . . 18729 16 48 1.0 . . 18729 16 49 1.0 . . 18729 16 50 1.0 . . 18729 16 51 1.0 . . 18729 16 52 1.0 . . 18729 16 53 1.0 . . 18729 16 54 1.0 . . 18729 16 55 1.0 . . 18729 16 56 1.0 . . 18729 16 57 1.0 . . 18729 16 58 1.0 . . 18729 16 59 1.0 . . 18729 16 60 1.0 . . 18729 16 61 1.0 . . 18729 16 62 1.0 . . 18729 16 63 1.0 . . 18729 16 64 1.0 . . 18729 16 65 1.0 . . 18729 16 66 1.0 . . 18729 16 67 1.0 . . 18729 16 68 1.0 . . 18729 16 69 1.0 . . 18729 16 70 1.0 . . 18729 16 71 1.0 . . 18729 16 72 1.0 . . 18729 16 73 1.0 . . 18729 16 74 1.0 . . 18729 16 75 1.0 . . 18729 16 76 1.0 . . 18729 16 77 1.0 . . 18729 16 78 1.0 . . 18729 16 79 1.0 . . 18729 16 80 1.0 . . 18729 16 81 1.0 . . 18729 16 82 1.0 . . 18729 16 83 1.0 . . 18729 16 84 1.0 . . 18729 16 85 1.0 . . 18729 16 86 1.0 . . 18729 16 87 1.0 . . 18729 16 88 1.0 . . 18729 16 89 1.0 . . 18729 16 90 1.0 . . 18729 16 91 1.0 . . 18729 16 92 1.0 . . 18729 16 93 1.0 . . 18729 16 94 1.0 . . 18729 16 95 1.0 . . 18729 16 96 1.0 . . 18729 16 97 1.0 . . 18729 16 98 1.0 . . 18729 16 99 1.0 . . 18729 16 100 1.0 . . 18729 16 101 1.0 . . 18729 16 102 1.0 . . 18729 16 103 1.0 . . 18729 16 104 1.0 . . 18729 16 105 1.0 . . 18729 16 106 1.0 . . 18729 16 107 1.0 . . 18729 16 108 1.0 . . 18729 16 109 1.0 . . 18729 16 110 1.0 . . 18729 16 111 1.0 . . 18729 16 112 1.0 . . 18729 16 113 1.0 . . 18729 16 114 1.0 . . 18729 16 115 1.0 . . 18729 16 116 1.0 . . 18729 16 117 1.0 . . 18729 16 118 1.0 . . 18729 16 119 1.0 . . 18729 16 120 1.0 . . 18729 16 121 1.0 . . 18729 16 122 1.0 . . 18729 16 123 1.0 . . 18729 16 124 1.0 . . 18729 16 125 1.0 . . 18729 16 126 1.0 . . 18729 16 127 1.0 . . 18729 16 128 1.0 . . 18729 16 129 1.0 . . 18729 16 130 1.0 . . 18729 16 131 1.0 . . 18729 16 132 1.0 . . 18729 16 133 1.0 . . 18729 16 134 1.0 . . 18729 16 135 1.0 . . 18729 16 136 1.0 . . 18729 16 137 1.0 . . 18729 16 138 1.0 . . 18729 16 139 1.0 . . 18729 16 140 1.0 . . 18729 16 141 1.0 . . 18729 16 142 1.0 . . 18729 16 143 1.0 . . 18729 16 144 1.0 . . 18729 16 145 1.0 . . 18729 16 146 1.0 . . 18729 16 147 1.0 . . 18729 16 148 1.0 . . 18729 16 149 1.0 . . 18729 16 150 1.0 . . 18729 16 151 1.0 . . 18729 16 152 1.0 . . 18729 16 153 1.0 . . 18729 16 154 1.0 . . 18729 16 155 1.0 . . 18729 16 156 1.0 . . 18729 16 157 1.0 . . 18729 16 158 1.0 . . 18729 16 159 1.0 . . 18729 16 160 1.0 . . 18729 16 161 1.0 . . 18729 16 162 1.0 . . 18729 16 163 1.0 . . 18729 16 164 1.0 . . 18729 16 165 1.0 . . 18729 16 166 1.0 . . 18729 16 167 1.0 . . 18729 16 168 1.0 . . 18729 16 169 1.0 . . 18729 16 170 1.0 . . 18729 16 171 1.0 . . 18729 16 172 1.0 . . 18729 16 173 1.0 . . 18729 16 174 1.0 . . 18729 16 175 1.0 . . 18729 16 176 1.0 . . 18729 16 177 1.0 . . 18729 16 178 1.0 . . 18729 16 179 1.0 . . 18729 16 180 1.0 . . 18729 16 181 1.0 . . 18729 16 182 1.0 . . 18729 16 183 1.0 . . 18729 16 184 1.0 . . 18729 16 185 1.0 . . 18729 16 186 1.0 . . 18729 16 187 1.0 . . 18729 16 188 1.0 . . 18729 16 189 1.0 . . 18729 16 190 1.0 . . 18729 16 191 1.0 . . 18729 16 192 1.0 . . 18729 16 193 1.0 . . 18729 16 194 1.0 . . 18729 16 195 1.0 . . 18729 16 196 1.0 . . 18729 16 197 1.0 . . 18729 16 198 1.0 . . 18729 16 199 1.0 . . 18729 16 200 1.0 . . 18729 16 201 1.0 . . 18729 16 202 1.0 . . 18729 16 203 1.0 . . 18729 16 204 1.0 . . 18729 16 205 1.0 . . 18729 16 206 1.0 . . 18729 16 207 1.0 . . 18729 16 208 1.0 . . 18729 16 209 1.0 . . 18729 16 210 1.0 . . 18729 16 211 1.0 . . 18729 16 212 1.0 . . 18729 16 213 1.0 . . 18729 16 214 1.0 . . 18729 16 215 1.0 . . 18729 16 216 1.0 . . 18729 16 217 1.0 . . 18729 16 218 1.0 . . 18729 16 219 1.0 . . 18729 16 220 1.0 . . 18729 16 221 1.0 . . 18729 16 222 1.0 . . 18729 16 223 1.0 . . 18729 16 224 1.0 . . 18729 16 225 1.0 . . 18729 16 226 1.0 . . 18729 16 227 1.0 . . 18729 16 228 1.0 . . 18729 16 229 1.0 . . 18729 16 230 1.0 . . 18729 16 231 1.0 . . 18729 16 232 1.0 . . 18729 16 233 1.0 . . 18729 16 234 1.0 . . 18729 16 235 1.0 . . 18729 16 236 1.0 . . 18729 16 237 1.0 . . 18729 16 238 1.0 . . 18729 16 239 1.0 . . 18729 16 240 1.0 . . 18729 16 241 1.0 . . 18729 16 242 1.0 . . 18729 16 243 1.0 . . 18729 16 244 1.0 . . 18729 16 245 1.0 . . 18729 16 246 1.0 . . 18729 16 247 1.0 . . 18729 16 248 1.0 . . 18729 16 249 1.0 . . 18729 16 250 1.0 . . 18729 16 251 1.0 . . 18729 16 252 1.0 . . 18729 16 253 1.0 . . 18729 16 254 1.0 . . 18729 16 255 1.0 . . 18729 16 256 1.0 . . 18729 16 257 1.0 . . 18729 16 258 1.0 . . 18729 16 259 1.0 . . 18729 16 260 1.0 . . 18729 16 261 1.0 . . 18729 16 262 1.0 . . 18729 16 263 1.0 . . 18729 16 264 1.0 . . 18729 16 265 1.0 . . 18729 16 266 1.0 . . 18729 16 267 1.0 . . 18729 16 268 1.0 . . 18729 16 269 1.0 . . 18729 16 270 1.0 . . 18729 16 271 1.0 . . 18729 16 272 1.0 . . 18729 16 273 1.0 . . 18729 16 274 1.0 . . 18729 16 275 1.0 . . 18729 16 276 1.0 . . 18729 16 277 1.0 . . 18729 16 278 1.0 . . 18729 16 279 1.0 . . 18729 16 280 1.0 . . 18729 16 281 1.0 . . 18729 16 282 1.0 . . 18729 16 283 1.0 . . 18729 16 284 1.0 . . 18729 16 285 1.0 . . 18729 16 286 1.0 . . 18729 16 287 1.0 . . 18729 16 288 1.0 . . 18729 16 289 1.0 . . 18729 16 290 1.0 . . 18729 16 291 1.0 . . 18729 16 292 1.0 . . 18729 16 293 1.0 . . 18729 16 294 1.0 . . 18729 16 295 1.0 . . 18729 16 296 1.0 . . 18729 16 297 1.0 . . 18729 16 298 1.0 . . 18729 16 299 1.0 . . 18729 16 300 1.0 . . 18729 16 301 1.0 . . 18729 16 302 1.0 . . 18729 16 303 1.0 . . 18729 16 304 1.0 . . 18729 16 305 1.0 . . 18729 16 306 1.0 . . 18729 16 307 1.0 . . 18729 16 308 1.0 . . 18729 16 309 1.0 . . 18729 16 310 1.0 . . 18729 16 311 1.0 . . 18729 16 312 1.0 . . 18729 16 313 1.0 . . 18729 16 314 1.0 . . 18729 16 315 1.0 . . 18729 16 316 1.0 . . 18729 16 317 1.0 . . 18729 16 318 1.0 . . 18729 16 319 1.0 . . 18729 16 320 1.0 . . 18729 16 321 1.0 . . 18729 16 322 1.0 . . 18729 16 323 1.0 . . 18729 16 324 1.0 . . 18729 16 325 1.0 . . 18729 16 326 1.0 . . 18729 16 327 1.0 . . 18729 16 328 1.0 . . 18729 16 329 1.0 . . 18729 16 330 1.0 . . 18729 16 331 1.0 . . 18729 16 332 1.0 . . 18729 16 333 1.0 . . 18729 16 334 1.0 . . 18729 16 335 1.0 . . 18729 16 336 1.0 . . 18729 16 337 1.0 . . 18729 16 338 1.0 . . 18729 16 339 1.0 . . 18729 16 340 1.0 . . 18729 16 341 1.0 . . 18729 16 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 89848.84375 . height 18729 16 1 731981.93750 . volume 18729 16 2 76084.81250 . height 18729 16 2 586750.46875 . volume 18729 16 3 28462.62500 . height 18729 16 3 222226.03125 . volume 18729 16 4 43925.21875 . height 18729 16 4 349491.87500 . volume 18729 16 5 47924.03125 . height 18729 16 5 383192.87500 . volume 18729 16 6 38747.03125 . height 18729 16 6 313395.93750 . volume 18729 16 7 23705.62500 . height 18729 16 7 189245.65625 . volume 18729 16 8 45836.84375 . height 18729 16 8 372316.84375 . volume 18729 16 9 47052.78125 . height 18729 16 9 380152.84375 . 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167008.18750 . volume 18729 16 25 403020.90625 . height 18729 16 25 3231574.53125 . volume 18729 16 26 79191.59375 . height 18729 16 26 644664.56250 . volume 18729 16 27 49038.46875 . height 18729 16 27 400434.25000 . volume 18729 16 28 46811.28125 . height 18729 16 28 384155.59375 . volume 18729 16 29 34607.62500 . height 18729 16 29 275681.53125 . volume 18729 16 30 31413.06250 . height 18729 16 30 257006.59375 . volume 18729 16 31 21146.75000 . height 18729 16 31 176986.65625 . volume 18729 16 32 55251.25000 . height 18729 16 32 452316.93750 . volume 18729 16 33 60565.21875 . height 18729 16 33 494399.43750 . volume 18729 16 34 43749.03125 . height 18729 16 34 353443.09375 . volume 18729 16 35 20600.06250 . height 18729 16 35 164753.90625 . volume 18729 16 36 450347.84375 . height 18729 16 36 3564570.43750 . volume 18729 16 37 442820.12500 . height 18729 16 37 3548419.93750 . volume 18729 16 38 28467.25000 . height 18729 16 38 221724.96875 . volume 18729 16 39 27352.75000 . height 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329 16464.31250 . height 18729 16 329 132507.50000 . volume 18729 16 330 16333.75000 . height 18729 16 330 130695.62500 . volume 18729 16 331 21930.75000 . height 18729 16 331 177486.96875 . volume 18729 16 332 22848.50000 . height 18729 16 332 189766.71875 . volume 18729 16 333 32512.31250 . height 18729 16 333 272532.40625 . volume 18729 16 334 169266.09375 . height 18729 16 334 1438381.18750 . volume 18729 16 335 19452.50000 . height 18729 16 335 160975.12500 . volume 18729 16 336 29595.34375 . height 18729 16 336 244169.75000 . volume 18729 16 337 56302.90625 . height 18729 16 337 469153.25000 . volume 18729 16 338 47088.62500 . height 18729 16 338 381348.28125 . volume 18729 16 339 26777.00000 . height 18729 16 339 228344.59375 . volume 18729 16 340 17956.78125 . height 18729 16 340 138526.46875 . volume 18729 16 341 16429.25000 . height 18729 16 341 130794.03125 . volume 18729 16 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16_17 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16_17 _Spectral_peak_list.Entry_ID 18729 _Spectral_peak_list.ID 17 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $13C_15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $Standard _Spectral_peak_list.Experiment_ID 17 _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' _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 . . H 1 1H . . 10000.0 . . . . . . . 18729 17 2 . . H 1 1H . . 8000.0 . . . . . . . 18729 17 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18729 17 2 1.0 . . 18729 17 3 1.0 . . 18729 17 4 1.0 . . 18729 17 5 1.0 . . 18729 17 6 1.0 . . 18729 17 7 1.0 . . 18729 17 8 1.0 . . 18729 17 9 1.0 . . 18729 17 10 1.0 . . 18729 17 11 1.0 . . 18729 17 12 1.0 . . 18729 17 13 1.0 . . 18729 17 14 1.0 . . 18729 17 15 1.0 . . 18729 17 16 1.0 . . 18729 17 17 1.0 . . 18729 17 18 1.0 . . 18729 17 19 1.0 . . 18729 17 20 1.0 . . 18729 17 21 1.0 . . 18729 17 22 1.0 . . 18729 17 23 1.0 . . 18729 17 24 1.0 . . 18729 17 25 1.0 . . 18729 17 26 1.0 . . 18729 17 27 1.0 . . 18729 17 28 1.0 . . 18729 17 29 1.0 . . 18729 17 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 89170.3281250 . height 18729 17 1 712246.3906250 . volume 18729 17 2 72398.0078125 . height 18729 17 2 582913.5859380 . volume 18729 17 3 105645.3828120 . height 18729 17 3 870119.0937500 . volume 18729 17 4 135347.4687500 . height 18729 17 4 1090948.1484400 . volume 18729 17 5 114841.4218750 . height 18729 17 5 944795.5390620 . volume 18729 17 6 94621.4140625 . height 18729 17 6 784515.4687500 . volume 18729 17 7 101705.1562500 . height 18729 17 7 836476.6875000 . volume 18729 17 8 91872.6015625 . height 18729 17 8 753938.8281250 . volume 18729 17 9 28913.0703125 . height 18729 17 9 235164.2109380 . volume 18729 17 10 24622.0625000 . height 18729 17 10 202313.1328120 . volume 18729 17 11 33767.7734375 . height 18729 17 11 261798.1640620 . volume 18729 17 12 42491.1328125 . height 18729 17 12 350896.0703120 . volume 18729 17 13 201755.0625000 . height 18729 17 13 1689314.2031200 . volume 18729 17 14 188087.0625000 . height 18729 17 14 1562584.6250000 . volume 18729 17 15 174981.8906250 . height 18729 17 15 1443463.7968800 . volume 18729 17 16 45300.9531250 . height 18729 17 16 378581.2343750 . volume 18729 17 17 64935.7890625 . height 18729 17 17 536806.8203120 . volume 18729 17 18 68004.5703125 . height 18729 17 18 561628.9921880 . volume 18729 17 19 108967.8203120 . height 18729 17 19 908718.0546880 . volume 18729 17 20 24181.3046875 . height 18729 17 20 204908.1718750 . volume 18729 17 21 38175.0468750 . height 18729 17 21 323556.5312500 . volume 18729 17 22 32210.6093750 . height 18729 17 22 271278.7812500 . volume 18729 17 23 39536.0546875 . height 18729 17 23 330069.1562500 . volume 18729 17 24 50221.9765625 . height 18729 17 24 412147.5156250 . volume 18729 17 25 26330.5156250 . height 18729 17 25 223604.2265620 . volume 18729 17 26 148565.3437500 . height 18729 17 26 1259854.0703100 . volume 18729 17 27 51904.0625000 . height 18729 17 27 444191.2109380 . volume 18729 17 28 55442.6171875 . height 18729 17 28 472344.4765620 . volume 18729 17 29 33944.4296875 . height 18729 17 29 289258.8593750 . volume 18729 17 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 7.338 . 25.7548689842 . . . . . . . . . . 1 18729 17 1 2 7.619 . 21.8226909637 . . . . . . . . . . 1 18729 17 2 1 7.236 . 27.3752212524 . . . . . . . . . . 1 18729 17 2 2 7.621 . 21.4939117432 . . . . . . . . . . 1 18729 17 3 1 7.338 . 29.0474295616 . . . . . . . . . . 1 18729 17 3 2 7.539 . 28.1875133514 . . . . . . . . . . 1 18729 17 4 1 7.233 . 26.3512134552 . . . . . . . . . . 1 18729 17 4 2 7.541 . 22.8912830353 . . . . . . . . . . 1 18729 17 5 1 7.547 . 31.2551856041 . . . . . . . . . . 1 18729 17 5 2 7.329 . 27.3845195770 . . . . . . . . . . 1 18729 17 6 1 7.621 . 29.5209884644 . . . . . . . . . . 1 18729 17 6 2 7.327 . 29.8836231232 . . . . . . . . . . 1 18729 17 7 1 7.621 . 29.1514396667 . . . . . . . . . . 1 18729 17 7 2 7.224 . 29.2057991028 . . . . . . . . . . 1 18729 17 8 1 7.546 . 31.7943096161 . . . . . . . . . . 1 18729 17 8 2 7.216 . 28.0389785767 . . . . . . . . . . 1 18729 17 12 1 0.789 . 26.8548727036 . . . . . . . . . . 1 18729 17 12 2 1.773 . 29.8128128052 . . . . . . . . . . 1 18729 17 13 1 0.790 . 29.6068191528 . . . . . . . . . . 1 18729 17 13 2 1.406 . 35.8538627625 . . . . . . . . . . 1 18729 17 14 1 0.790 . 27.7268886566 . . . . . . . . . . 1 18729 17 14 2 1.108 . 35.5496406555 . . . . . . . . . . 1 18729 17 15 1 0.884 . 26.3220071793 . . . . . . . . . . 1 18729 17 15 2 1.769 . 33.8287353516 . . . . . . . . . . 1 18729 17 16 1 0.886 . 28.3944606781 . . . . . . . . . . 1 18729 17 16 2 1.412 . 34.6131324768 . . . . . . . . . . 1 18729 17 17 1 0.884 . 27.0825624466 . . . . . . . . . . 1 18729 17 17 2 1.109 . 33.3104133606 . . . . . . . . . . 1 18729 17 18 1 1.193 . 26.6218185425 . . . . . . . . . . 1 18729 17 18 2 2.132 . 33.7162017822 . . . . . . . . . . 1 18729 17 19 1 0.969 . 28.7652015686 . . . . . . . . . . 1 18729 17 19 2 2.126 . 37.2624397278 . . . . . . . . . . 1 18729 17 20 1 1.112 . 34.1194868088 . . . . . . . . . . 1 18729 17 20 2 1.770 . 34.3084335327 . . . . . . . . . . 1 18729 17 21 1 1.110 . 39.1626358032 . . . . . . . . . . 1 18729 17 21 2 1.419 . 44.3539619446 . . . . . . . . . . 1 18729 17 22 1 0.974 . 32.1435928345 . . . . . . . . . . 1 18729 17 22 2 3.993 . 32.2990417480 . . . . . . . . . . 1 18729 17 23 1 1.192 . 29.1240215302 . . . . . . . . . . 1 18729 17 23 2 3.982 . 36.3979339600 . . . . . . . . . . 1 18729 17 24 1 0.886 . 26.0508060455 . . . . . . . . . . 1 18729 17 24 2 4.306 . 34.9025726318 . . . . . . . . . . 1 18729 17 25 1 1.780 . 42.2990322113 . . . . . . . . . . 1 18729 17 25 2 1.111 . 41.8233871460 . . . . . . . . . . 1 18729 17 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 7.338 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 17 1 2 1 . . 7.619 . . 1 . 1 1 19 TRP HE3 . . . . . . . . . . 309 . 18729 17 2 1 1 . . 7.236 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 17 2 2 1 . . 7.621 . . 1 . 1 1 19 TRP HE3 . . . . . . . . . . 309 . 18729 17 3 1 1 . . 7.338 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 17 3 2 1 . . 7.539 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 17 4 1 1 . . 7.233 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 17 4 2 1 . . 7.541 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 17 5 1 1 . . 7.547 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 17 5 2 1 . . 7.329 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 17 6 1 1 . . 7.621 . . 1 . 1 1 19 TRP HE3 . . . . . . . . . . 309 . 18729 17 6 2 1 . . 7.327 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 17 7 1 1 . . 7.621 . . 1 . 1 1 19 TRP HE3 . . . . . . . . . . 309 . 18729 17 7 2 1 . . 7.224 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 17 8 1 1 . . 7.546 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 17 8 2 1 . . 7.216 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 17 12 1 1 . . 0.789 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 17 12 2 1 . . 1.773 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 17 13 1 1 . . 0.790 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 17 13 2 1 . . 1.406 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 17 14 1 1 . . 0.790 . . 1 . 1 1 25 ILE MD . . . . . . . . . . 267 . 18729 17 14 2 1 . . 1.108 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 17 15 1 1 . . 0.884 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 17 15 2 1 . . 1.769 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 17 16 1 1 . . 0.886 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 17 16 2 1 . . 1.412 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 17 17 1 1 . . 0.884 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 17 17 2 1 . . 1.109 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 17 18 1 1 . . 1.193 . . 1 . 1 1 4 VAL MG2 . . . . . . . . . . 248 . 18729 17 18 2 1 . . 2.132 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 17 19 1 1 . . 0.969 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 17 19 2 1 . . 2.126 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 17 20 1 1 . . 1.112 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 17 20 2 1 . . 1.770 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 17 21 1 1 . . 1.110 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 17 21 2 1 . . 1.419 . . 1 . 1 1 25 ILE HG12 . . . . . . . . . . 327 . 18729 17 22 1 1 . . 0.974 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 17 22 2 1 . . 3.993 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 17 23 1 1 . . 1.192 . . 1 . 1 1 4 VAL MG2 . . . . . . . . . . 248 . 18729 17 23 2 1 . . 3.982 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 17 24 1 1 . . 0.886 . . 1 . 1 1 25 ILE MG . . . . . . . . . . 268 . 18729 17 24 2 1 . . 4.306 . . 1 . 1 1 25 ILE HA . . . . . . . . . . 177 . 18729 17 25 1 1 . . 1.780 . . 1 . 1 1 25 ILE HB . . . . . . . . . . 178 . 18729 17 25 2 1 . . 1.111 . . 1 . 1 1 25 ILE HG13 . . . . . . . . . . 328 . 18729 17 stop_ save_