data_15708 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15708 _Entry.Title ; Structure of the N-terminal domain of the Y4 receptor in SDS and DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-02 _Entry.Accession_date 2008-04-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chao Zou . . . 15708 2 Sowmini Kumaran . . . 15708 3 Walser Reto . . . 15708 4 Stefan Markovic . . . 15708 5 Oliver Zerbe . . . 15708 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Zerbe group, University of Zurich' . 15708 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 15708 heteronucl_NOEs 2 15708 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 537 15708 'heteronuclear NOE values' 67 15708 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 3 . . 2010-06-02 2008-04-02 update BMRB 'edit assembly name' 15708 2 . . 2008-12-15 2008-04-02 update BMRB 'complete entry citation' 15708 1 . . 2008-09-11 2008-04-02 original author 'original release' 15708 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15708 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18767100 _Citation.Full_citation . _Citation.Title 'Studies of the Structure of the N-Terminal Domain from the Y4 Receptor-a G Protein-Coupled Receptor-and its Interaction with Hormones from the NPY Family' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev ChemBioChem _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 14 _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 2276 _Citation.Page_last 2284 _Citation.Year 2008 _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.Entry_ID _Citation_author.Citation_ID 1 Chao Zou . . . 15708 1 2 Sowmini Kumaran . . . 15708 1 3 Stefan Markovic . . . 15708 1 4 Reto Walser . . . 15708 1 5 Oliver Zerbe . . . 15708 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15708 _Assembly.ID 1 _Assembly.Name N-terminal_domain_of_Y4_receptor _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $N-terminal_domain_of_Y4_receptor A . yes native no no . . . 15708 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-terminal_domain_of_Y4_receptor _Entity.Sf_category entity _Entity.Sf_framecode N-terminal_domain_of_Y4_receptor _Entity.Entry_ID 15708 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N-terminal_domain_of_Y4_receptor _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 ; MNTSHLLALLLPKSPQGENR SKPLGTPYNFSEHCQDSVDV M ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4561.191 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 no BMRB 15921 . N-TM1-TM2 . . . . . 100.00 121 100.00 100.00 1.04e-20 . . . . 15708 1 2 no BMRB 18319 . Y4_TM1-TM2 . . . . . 100.00 121 100.00 100.00 1.04e-20 . . . . 15708 1 3 no DBJ BAG74162 . "pancreatic polypeptide receptor 1 [synthetic construct]" . . . . . 100.00 375 100.00 100.00 7.34e-20 . . . . 15708 1 4 no EMBL CAA91433 . "pancreatic polypeptide receptor PP1 [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 7.34e-20 . . . . 15708 1 5 no EMBL CAG46748 . "PPYR1 [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 7.50e-20 . . . . 15708 1 6 no EMBL CAI13318 . "pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 7.34e-20 . . . . 15708 1 7 no GB AAB07759 . "pancreatic polypeptide receptor [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 7.65e-20 . . . . 15708 1 8 no GB AAC50280 . "neuropeptide Y4 receptor protein [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 7.34e-20 . . . . 15708 1 9 no GB AAH96238 . "Pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 7.65e-20 . . . . 15708 1 10 no GB AAH99637 . "Pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 7.57e-20 . . . . 15708 1 11 no GB AAP23199 . "pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 7.34e-20 . . . . 15708 1 12 no REF NP_001265723 . "neuropeptide Y receptor type 4 [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 7.50e-20 . . . . 15708 1 13 no REF NP_001265724 . "neuropeptide Y receptor type 4-like [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 7.34e-20 . . . . 15708 1 14 no REF NP_005963 . "neuropeptide Y receptor type 4 [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 7.50e-20 . . . . 15708 1 15 no REF XP_003804406 . "PREDICTED: neuropeptide Y receptor type 4 [Pan paniscus]" . . . . . 100.00 375 97.56 100.00 2.77e-19 . . . . 15708 1 16 no REF XP_003804407 . "PREDICTED: neuropeptide Y receptor type 4 [Pan paniscus]" . . . . . 100.00 375 97.56 100.00 2.77e-19 . . . . 15708 1 17 no SP P50391 . "RecName: Full=Neuropeptide Y receptor type 4; Short=NPY4-R; AltName: Full=Pancreatic polypeptide receptor 1; Short=PP1" . . . . . 100.00 375 100.00 100.00 7.34e-20 . . . . 15708 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'GPCR fragment' 15708 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 1 MET . 15708 1 2 2 ASN . 15708 1 3 3 THR . 15708 1 4 4 SER . 15708 1 5 5 HIS . 15708 1 6 6 LEU . 15708 1 7 7 LEU . 15708 1 8 8 ALA . 15708 1 9 9 LEU . 15708 1 10 10 LEU . 15708 1 11 11 LEU . 15708 1 12 12 PRO . 15708 1 13 13 LYS . 15708 1 14 14 SER . 15708 1 15 15 PRO . 15708 1 16 16 GLN . 15708 1 17 17 GLY . 15708 1 18 18 GLU . 15708 1 19 19 ASN . 15708 1 20 20 ARG . 15708 1 21 21 SER . 15708 1 22 22 LYS . 15708 1 23 23 PRO . 15708 1 24 24 LEU . 15708 1 25 25 GLY . 15708 1 26 26 THR . 15708 1 27 27 PRO . 15708 1 28 28 TYR . 15708 1 29 29 ASN . 15708 1 30 30 PHE . 15708 1 31 31 SER . 15708 1 32 32 GLU . 15708 1 33 33 HIS . 15708 1 34 34 CYS . 15708 1 35 35 GLN . 15708 1 36 36 ASP . 15708 1 37 37 SER . 15708 1 38 38 VAL . 15708 1 39 39 ASP . 15708 1 40 40 VAL . 15708 1 41 41 MET . 15708 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 . MET 1 1 15708 1 . ASN 2 2 15708 1 . THR 3 3 15708 1 . SER 4 4 15708 1 . HIS 5 5 15708 1 . LEU 6 6 15708 1 . LEU 7 7 15708 1 . ALA 8 8 15708 1 . LEU 9 9 15708 1 . LEU 10 10 15708 1 . LEU 11 11 15708 1 . PRO 12 12 15708 1 . LYS 13 13 15708 1 . SER 14 14 15708 1 . PRO 15 15 15708 1 . GLN 16 16 15708 1 . GLY 17 17 15708 1 . GLU 18 18 15708 1 . ASN 19 19 15708 1 . ARG 20 20 15708 1 . SER 21 21 15708 1 . LYS 22 22 15708 1 . PRO 23 23 15708 1 . LEU 24 24 15708 1 . GLY 25 25 15708 1 . THR 26 26 15708 1 . PRO 27 27 15708 1 . TYR 28 28 15708 1 . ASN 29 29 15708 1 . PHE 30 30 15708 1 . SER 31 31 15708 1 . GLU 32 32 15708 1 . HIS 33 33 15708 1 . CYS 34 34 15708 1 . GLN 35 35 15708 1 . ASP 36 36 15708 1 . SER 37 37 15708 1 . VAL 38 38 15708 1 . ASP 39 39 15708 1 . VAL 40 40 15708 1 . MET 41 41 15708 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 15708 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $N-terminal_domain_of_Y4_receptor . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15708 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 15708 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $N-terminal_domain_of_Y4_receptor . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 C43 . . . . . . . . . . . . . . pET . . . 'KSI fusion vector' . . 15708 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15708 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'in the presence of SDS micelles' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal domain of Y4 receptor' 'natural abundance' . . 1 $N-terminal_domain_of_Y4_receptor . . 1 . . mM . . . . 15708 1 2 MES 'natural abundance' . . . . . . 40 . . mM . . . . 15708 1 3 SDS 'natural abundance' . . . . . . 300 . . mM . . . . 15708 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15708 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'in the presence of DPC micelles' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal domain of Y4 receptor' 'natural abundance' . . 1 $N-terminal_domain_of_Y4_receptor . . 1 . . mM . . . . 15708 2 2 MES 'natural abundance' . . . . . . 40 . . mM . . . . 15708 2 3 DPC 'natural abundance' . . . . . . 300 . . mM . . . . 15708 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15708 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'measurement in micelles' 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 . M 15708 1 pH 5.6 0.2 pH 15708 1 pressure 1 . atm 15708 1 temperature 310 1 K 15708 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY_CARA _Software.Sf_category software _Software.Sf_framecode XEASY_CARA _Software.Entry_ID 15708 _Software.ID 1 _Software.Name XEASY/CARA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15708 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15708 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15708 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15708 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15708 _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 spectrometer_1 Bruker Avance . 700 . . . 15708 1 2 spectrometer_2 Bruker Avance . 600 . . . 15708 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15708 _Experiment_list.ID 1 _Experiment_list.Details 'Structure was calculated based on NOEs' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15708 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15708 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15708 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15708 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15708 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15708 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15708 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15708 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15708 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.63 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 15708 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15708 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.003 _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 'deviation from averaging procedure' _Assigned_chem_shift_list.Details 'chemical shifts are referenced to the water position at 4.63 ppm at 310K' _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 3 '2D 1H-1H NOESY' . . . 15708 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY_CARA . . 15708 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.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 MET HA H 1 4.191 0.002 . 1 . . . . 1 MET HA . 15708 1 2 . 1 1 1 1 MET HB2 H 1 2.187 0.006 . 1 . . . . 1 MET HB2 . 15708 1 3 . 1 1 1 1 MET HB3 H 1 2.187 0.006 . 1 . . . . 1 MET HB3 . 15708 1 4 . 1 1 1 1 MET HG2 H 1 2.547 0.002 . 1 . . . . 1 MET HG2 . 15708 1 5 . 1 1 1 1 MET HG3 H 1 2.547 0.002 . 1 . . . . 1 MET HG3 . 15708 1 6 . 1 1 2 2 ASN H H 1 8.659 0.002 . 1 . . . . 2 ASN H . 15708 1 7 . 1 1 2 2 ASN HA H 1 4.976 0.001 . 1 . . . . 2 ASN HA . 15708 1 8 . 1 1 2 2 ASN HB2 H 1 2.979 0.004 . 2 . . . . 2 ASN HB2 . 15708 1 9 . 1 1 2 2 ASN HB3 H 1 2.790 0.007 . 2 . . . . 2 ASN HB3 . 15708 1 10 . 1 1 2 2 ASN HD21 H 1 7.571 0.003 . 2 . . . . 2 ASN HD21 . 15708 1 11 . 1 1 2 2 ASN HD22 H 1 6.860 0.002 . 2 . . . . 2 ASN HD22 . 15708 1 12 . 1 1 3 3 THR H H 1 8.289 0.006 . 1 . . . . 3 THR H . 15708 1 13 . 1 1 3 3 THR HA H 1 4.263 0.005 . 1 . . . . 3 THR HA . 15708 1 14 . 1 1 3 3 THR HB H 1 4.039 0.005 . 1 . . . . 3 THR HB . 15708 1 15 . 1 1 3 3 THR HG21 H 1 1.218 0.004 . 1 . . . . 3 THR HG1 . 15708 1 16 . 1 1 3 3 THR HG22 H 1 1.218 0.004 . 1 . . . . 3 THR HG1 . 15708 1 17 . 1 1 3 3 THR HG23 H 1 1.218 0.004 . 1 . . . . 3 THR HG1 . 15708 1 18 . 1 1 4 4 SER H H 1 8.287 0.003 . 1 . . . . 4 SER H . 15708 1 19 . 1 1 4 4 SER HA H 1 4.226 0.005 . 1 . . . . 4 SER HA . 15708 1 20 . 1 1 4 4 SER HB2 H 1 3.924 0.003 . 1 . . . . 4 SER HB2 . 15708 1 21 . 1 1 4 4 SER HB3 H 1 3.924 0.003 . 1 . . . . 4 SER HB3 . 15708 1 22 . 1 1 5 5 HIS H H 1 8.065 0.005 . 1 . . . . 5 HIS H . 15708 1 23 . 1 1 5 5 HIS HA H 1 4.565 0.003 . 1 . . . . 5 HIS HA . 15708 1 24 . 1 1 5 5 HIS HB2 H 1 3.302 0.005 . 1 . . . . 5 HIS HB2 . 15708 1 25 . 1 1 5 5 HIS HB3 H 1 3.302 0.005 . 1 . . . . 5 HIS HB3 . 15708 1 26 . 1 1 5 5 HIS HD2 H 1 7.341 0.001 . 1 . . . . 5 HIS HD2 . 15708 1 27 . 1 1 5 5 HIS HE1 H 1 8.646 0.003 . 1 . . . . 5 HIS HE1 . 15708 1 28 . 1 1 6 6 LEU H H 1 7.843 0.003 . 1 . . . . 6 LEU H . 15708 1 29 . 1 1 6 6 LEU HA H 1 4.001 0.004 . 1 . . . . 6 LEU HA . 15708 1 30 . 1 1 6 6 LEU HB2 H 1 1.695 0.008 . 2 . . . . 6 LEU HB2 . 15708 1 31 . 1 1 6 6 LEU HB3 H 1 1.786 0.008 . 2 . . . . 6 LEU HB3 . 15708 1 32 . 1 1 6 6 LEU HD11 H 1 0.869 0.005 . 2 . . . . 6 LEU HD11 . 15708 1 33 . 1 1 6 6 LEU HD12 H 1 0.869 0.005 . 2 . . . . 6 LEU HD12 . 15708 1 34 . 1 1 6 6 LEU HD13 H 1 0.869 0.005 . 2 . . . . 6 LEU HD13 . 15708 1 35 . 1 1 6 6 LEU HD21 H 1 0.937 0.003 . 2 . . . . 6 LEU HD21 . 15708 1 36 . 1 1 6 6 LEU HD22 H 1 0.937 0.003 . 2 . . . . 6 LEU HD22 . 15708 1 37 . 1 1 6 6 LEU HD23 H 1 0.937 0.003 . 2 . . . . 6 LEU HD23 . 15708 1 38 . 1 1 6 6 LEU HG H 1 1.574 0.010 . 1 . . . . 6 LEU HG . 15708 1 39 . 1 1 7 7 LEU H H 1 8.029 0.004 . 1 . . . . 7 LEU H . 15708 1 40 . 1 1 7 7 LEU HA H 1 3.956 0.004 . 1 . . . . 7 LEU HA . 15708 1 41 . 1 1 7 7 LEU HB2 H 1 1.572 0.008 . 2 . . . . 7 LEU HB2 . 15708 1 42 . 1 1 7 7 LEU HB3 H 1 1.779 0.006 . 2 . . . . 7 LEU HB3 . 15708 1 43 . 1 1 7 7 LEU HD11 H 1 0.867 0.003 . 2 . . . . 7 LEU HD11 . 15708 1 44 . 1 1 7 7 LEU HD12 H 1 0.867 0.003 . 2 . . . . 7 LEU HD12 . 15708 1 45 . 1 1 7 7 LEU HD13 H 1 0.867 0.003 . 2 . . . . 7 LEU HD13 . 15708 1 46 . 1 1 7 7 LEU HD21 H 1 0.933 0.006 . 2 . . . . 7 LEU HD21 . 15708 1 47 . 1 1 7 7 LEU HD22 H 1 0.933 0.006 . 2 . . . . 7 LEU HD22 . 15708 1 48 . 1 1 7 7 LEU HD23 H 1 0.933 0.006 . 2 . . . . 7 LEU HD23 . 15708 1 49 . 1 1 7 7 LEU HG H 1 1.579 0.009 . 1 . . . . 7 LEU HG . 15708 1 50 . 1 1 8 8 ALA H H 1 7.523 0.004 . 1 . . . . 8 ALA H . 15708 1 51 . 1 1 8 8 ALA HA H 1 4.047 0.006 . 1 . . . . 8 ALA HA . 15708 1 52 . 1 1 8 8 ALA HB1 H 1 1.467 0.005 . 1 . . . . 8 ALA HB1 . 15708 1 53 . 1 1 8 8 ALA HB2 H 1 1.467 0.005 . 1 . . . . 8 ALA HB2 . 15708 1 54 . 1 1 8 8 ALA HB3 H 1 1.467 0.005 . 1 . . . . 8 ALA HB3 . 15708 1 55 . 1 1 9 9 LEU H H 1 7.473 0.003 . 1 . . . . 9 LEU H . 15708 1 56 . 1 1 9 9 LEU HA H 1 4.142 0.005 . 1 . . . . 9 LEU HA . 15708 1 57 . 1 1 9 9 LEU HB2 H 1 1.705 0.003 . 2 . . . . 9 LEU HB2 . 15708 1 58 . 1 1 9 9 LEU HB3 H 1 1.872 0.003 . 2 . . . . 9 LEU HB3 . 15708 1 59 . 1 1 9 9 LEU HD11 H 1 0.861 0.005 . 2 . . . . 9 LEU HD11 . 15708 1 60 . 1 1 9 9 LEU HD12 H 1 0.861 0.005 . 2 . . . . 9 LEU HD12 . 15708 1 61 . 1 1 9 9 LEU HD13 H 1 0.861 0.005 . 2 . . . . 9 LEU HD13 . 15708 1 62 . 1 1 9 9 LEU HD21 H 1 0.937 0.006 . 2 . . . . 9 LEU HD21 . 15708 1 63 . 1 1 9 9 LEU HD22 H 1 0.937 0.006 . 2 . . . . 9 LEU HD22 . 15708 1 64 . 1 1 9 9 LEU HD23 H 1 0.937 0.006 . 2 . . . . 9 LEU HD23 . 15708 1 65 . 1 1 9 9 LEU HG H 1 1.540 0.009 . 1 . . . . 9 LEU HG . 15708 1 66 . 1 1 10 10 LEU H H 1 7.597 0.004 . 1 . . . . 10 LEU H . 15708 1 67 . 1 1 10 10 LEU HA H 1 4.218 0.003 . 1 . . . . 10 LEU HA . 15708 1 68 . 1 1 10 10 LEU HB2 H 1 1.753 0.008 . 2 . . . . 10 LEU HB2 . 15708 1 69 . 1 1 10 10 LEU HB3 H 1 1.803 0.008 . 2 . . . . 10 LEU HB3 . 15708 1 70 . 1 1 10 10 LEU HD11 H 1 0.819 0.001 . 2 . . . . 10 LEU HD11 . 15708 1 71 . 1 1 10 10 LEU HD12 H 1 0.819 0.001 . 2 . . . . 10 LEU HD12 . 15708 1 72 . 1 1 10 10 LEU HD13 H 1 0.819 0.001 . 2 . . . . 10 LEU HD13 . 15708 1 73 . 1 1 10 10 LEU HD21 H 1 0.863 0.002 . 2 . . . . 10 LEU HD21 . 15708 1 74 . 1 1 10 10 LEU HD22 H 1 0.863 0.002 . 2 . . . . 10 LEU HD22 . 15708 1 75 . 1 1 10 10 LEU HD23 H 1 0.863 0.002 . 2 . . . . 10 LEU HD23 . 15708 1 76 . 1 1 10 10 LEU HG H 1 1.553 0.006 . 1 . . . . 10 LEU HG . 15708 1 77 . 1 1 11 11 LEU H H 1 7.655 0.003 . 1 . . . . 11 LEU H . 15708 1 78 . 1 1 11 11 LEU HA H 1 4.366 0.002 . 1 . . . . 11 LEU HA . 15708 1 79 . 1 1 11 11 LEU HB2 H 1 1.774 0.009 . 1 . . . . 11 LEU HB2 . 15708 1 80 . 1 1 11 11 LEU HB3 H 1 1.774 0.009 . 1 . . . . 11 LEU HB3 . 15708 1 81 . 1 1 11 11 LEU HD11 H 1 0.901 0.004 . 2 . . . . 11 LEU HD11 . 15708 1 82 . 1 1 11 11 LEU HD12 H 1 0.901 0.004 . 2 . . . . 11 LEU HD12 . 15708 1 83 . 1 1 11 11 LEU HD13 H 1 0.901 0.004 . 2 . . . . 11 LEU HD13 . 15708 1 84 . 1 1 11 11 LEU HD21 H 1 0.937 0.005 . 2 . . . . 11 LEU HD21 . 15708 1 85 . 1 1 11 11 LEU HD22 H 1 0.937 0.005 . 2 . . . . 11 LEU HD22 . 15708 1 86 . 1 1 11 11 LEU HD23 H 1 0.937 0.005 . 2 . . . . 11 LEU HD23 . 15708 1 87 . 1 1 11 11 LEU HG H 1 1.560 0.007 . 1 . . . . 11 LEU HG . 15708 1 88 . 1 1 12 12 PRO HB2 H 1 1.705 0.003 . 1 . . . . 12 PRO HB2 . 15708 1 89 . 1 1 12 12 PRO HB3 H 1 1.705 0.003 . 1 . . . . 12 PRO HB3 . 15708 1 90 . 1 1 12 12 PRO HD2 H 1 3.546 0.004 . 2 . . . . 12 PRO HD2 . 15708 1 91 . 1 1 12 12 PRO HD3 H 1 3.768 0.006 . 2 . . . . 12 PRO HD3 . 15708 1 92 . 1 1 13 13 LYS H H 1 7.902 0.003 . 1 . . . . 13 LYS H . 15708 1 93 . 1 1 13 13 LYS HA H 1 4.444 0.001 . 1 . . . . 13 LYS HA . 15708 1 94 . 1 1 13 13 LYS HB2 H 1 1.806 0.004 . 1 . . . . 13 LYS HB2 . 15708 1 95 . 1 1 13 13 LYS HB3 H 1 1.806 0.004 . 1 . . . . 13 LYS HB3 . 15708 1 96 . 1 1 13 13 LYS HG2 H 1 1.462 0.005 . 1 . . . . 13 LYS HG2 . 15708 1 97 . 1 1 13 13 LYS HG3 H 1 1.462 0.005 . 1 . . . . 13 LYS HG3 . 15708 1 98 . 1 1 13 13 LYS HZ1 H 1 6.960 0.003 . 1 . . . . 13 LYS HZ3 . 15708 1 99 . 1 1 13 13 LYS HZ2 H 1 6.960 0.003 . 1 . . . . 13 LYS HZ3 . 15708 1 100 . 1 1 13 13 LYS HZ3 H 1 6.960 0.003 . 1 . . . . 13 LYS HZ3 . 15708 1 101 . 1 1 14 14 SER H H 1 7.950 0.001 . 1 . . . . 14 SER H . 15708 1 102 . 1 1 14 14 SER HA H 1 3.877 0.003 . 1 . . . . 14 SER HA . 15708 1 103 . 1 1 14 14 SER HB2 H 1 3.800 0.003 . 1 . . . . 14 SER HB2 . 15708 1 104 . 1 1 14 14 SER HB3 H 1 3.800 0.003 . 1 . . . . 14 SER HB3 . 15708 1 105 . 1 1 15 15 PRO HA H 1 4.455 0.001 . 1 . . . . 15 PRO HA . 15708 1 106 . 1 1 15 15 PRO HD2 H 1 3.746 0.005 . 2 . . . . 15 PRO HD2 . 15708 1 107 . 1 1 15 15 PRO HD3 H 1 3.798 0.004 . 2 . . . . 15 PRO HD3 . 15708 1 108 . 1 1 16 16 GLN H H 1 8.284 0.002 . 1 . . . . 16 GLN H . 15708 1 109 . 1 1 16 16 GLN HA H 1 4.308 0.002 . 1 . . . . 16 GLN HA . 15708 1 110 . 1 1 16 16 GLN HB2 H 1 1.972 0.002 . 2 . . . . 16 GLN HB2 . 15708 1 111 . 1 1 16 16 GLN HB3 H 1 2.150 0.002 . 2 . . . . 16 GLN HB3 . 15708 1 112 . 1 1 16 16 GLN HE21 H 1 7.426 0.003 . 2 . . . . 16 GLN HE21 . 15708 1 113 . 1 1 16 16 GLN HE22 H 1 6.727 0.003 . 2 . . . . 16 GLN HE22 . 15708 1 114 . 1 1 16 16 GLN HG2 H 1 2.305 0.001 . 2 . . . . 16 GLN HG2 . 15708 1 115 . 1 1 16 16 GLN HG3 H 1 2.371 0.001 . 2 . . . . 16 GLN HG3 . 15708 1 116 . 1 1 17 17 GLY H H 1 8.182 0.002 . 1 . . . . 17 GLY H . 15708 1 117 . 1 1 17 17 GLY HA2 H 1 3.931 0.001 . 1 . . . . 17 GLY HA2 . 15708 1 118 . 1 1 17 17 GLY HA3 H 1 3.931 0.001 . 1 . . . . 17 GLY HA3 . 15708 1 119 . 1 1 18 18 GLU H H 1 8.141 0.004 . 1 . . . . 18 GLU H . 15708 1 120 . 1 1 18 18 GLU HA H 1 4.302 0.006 . 1 . . . . 18 GLU HA . 15708 1 121 . 1 1 18 18 GLU HB2 H 1 1.943 0.009 . 2 . . . . 18 GLU HB2 . 15708 1 122 . 1 1 18 18 GLU HB3 H 1 2.077 0.001 . 2 . . . . 18 GLU HB3 . 15708 1 123 . 1 1 18 18 GLU HG2 H 1 2.329 0.007 . 1 . . . . 18 GLU HG2 . 15708 1 124 . 1 1 18 18 GLU HG3 H 1 2.329 0.007 . 1 . . . . 18 GLU HG3 . 15708 1 125 . 1 1 19 19 ASN H H 1 8.302 0.006 . 1 . . . . 19 ASN H . 15708 1 126 . 1 1 19 19 ASN HA H 1 4.706 0.003 . 1 . . . . 19 ASN HA . 15708 1 127 . 1 1 19 19 ASN HB2 H 1 2.711 0.004 . 2 . . . . 19 ASN HB2 . 15708 1 128 . 1 1 19 19 ASN HB3 H 1 2.836 0.001 . 2 . . . . 19 ASN HB3 . 15708 1 129 . 1 1 19 19 ASN HD21 H 1 7.495 0.003 . 2 . . . . 19 ASN HD21 . 15708 1 130 . 1 1 19 19 ASN HD22 H 1 6.838 0.002 . 2 . . . . 19 ASN HD22 . 15708 1 131 . 1 1 20 20 ARG H H 1 7.989 0.003 . 1 . . . . 20 ARG H . 15708 1 132 . 1 1 20 20 ARG HA H 1 4.353 0.001 . 1 . . . . 20 ARG HA . 15708 1 133 . 1 1 20 20 ARG HB2 H 1 1.778 0.007 . 2 . . . . 20 ARG HB2 . 15708 1 134 . 1 1 20 20 ARG HB3 H 1 1.862 0.007 . 2 . . . . 20 ARG HB3 . 15708 1 135 . 1 1 20 20 ARG HD2 H 1 3.193 0.004 . 1 . . . . 20 ARG HD2 . 15708 1 136 . 1 1 20 20 ARG HD3 H 1 3.193 0.004 . 1 . . . . 20 ARG HD3 . 15708 1 137 . 1 1 20 20 ARG HE H 1 7.186 0.003 . 1 . . . . 20 ARG HE . 15708 1 138 . 1 1 20 20 ARG HG2 H 1 1.646 0.008 . 1 . . . . 20 ARG HG2 . 15708 1 139 . 1 1 20 20 ARG HG3 H 1 1.646 0.008 . 1 . . . . 20 ARG HG3 . 15708 1 140 . 1 1 21 21 SER H H 1 8.220 0.003 . 1 . . . . 21 SER H . 15708 1 141 . 1 1 21 21 SER HA H 1 4.434 0.001 . 1 . . . . 21 SER HA . 15708 1 142 . 1 1 21 21 SER HB2 H 1 3.828 0.005 . 1 . . . . 21 SER HB2 . 15708 1 143 . 1 1 21 21 SER HB3 H 1 3.828 0.005 . 1 . . . . 21 SER HB3 . 15708 1 144 . 1 1 22 22 LYS H H 1 7.998 0.004 . 1 . . . . 22 LYS H . 15708 1 145 . 1 1 22 22 LYS HA H 1 4.348 0.002 . 1 . . . . 22 LYS HA . 15708 1 146 . 1 1 22 22 LYS HB2 H 1 1.747 0.004 . 1 . . . . 22 LYS HB2 . 15708 1 147 . 1 1 22 22 LYS HB3 H 1 1.747 0.004 . 1 . . . . 22 LYS HB3 . 15708 1 148 . 1 1 22 22 LYS HG2 H 1 1.456 0.012 . 1 . . . . 22 LYS HG2 . 15708 1 149 . 1 1 22 22 LYS HG3 H 1 1.456 0.012 . 1 . . . . 22 LYS HG3 . 15708 1 150 . 1 1 23 23 PRO HA H 1 4.441 0.008 . 1 . . . . 23 PRO HA . 15708 1 151 . 1 1 23 23 PRO HB2 H 1 1.984 0.006 . 2 . . . . 23 PRO HB2 . 15708 1 152 . 1 1 23 23 PRO HB3 H 1 2.306 0.005 . 2 . . . . 23 PRO HB3 . 15708 1 153 . 1 1 23 23 PRO HD2 H 1 3.677 0.004 . 2 . . . . 23 PRO HD2 . 15708 1 154 . 1 1 23 23 PRO HD3 H 1 3.772 0.002 . 2 . . . . 23 PRO HD3 . 15708 1 155 . 1 1 23 23 PRO HG2 H 1 1.910 0.003 . 1 . . . . 23 PRO HG2 . 15708 1 156 . 1 1 23 23 PRO HG3 H 1 1.910 0.003 . 1 . . . . 23 PRO HG3 . 15708 1 157 . 1 1 24 24 LEU H H 1 8.034 0.003 . 1 . . . . 24 LEU H . 15708 1 158 . 1 1 24 24 LEU HA H 1 4.337 0.001 . 1 . . . . 24 LEU HA . 15708 1 159 . 1 1 24 24 LEU HB2 H 1 1.676 0.002 . 2 . . . . 24 LEU HB2 . 15708 1 160 . 1 1 24 24 LEU HB3 H 1 1.719 0.001 . 2 . . . . 24 LEU HB3 . 15708 1 161 . 1 1 24 24 LEU HD11 H 1 0.884 0.003 . 1 . . . . 24 LEU QD1 . 15708 1 162 . 1 1 24 24 LEU HD12 H 1 0.884 0.003 . 1 . . . . 24 LEU QD1 . 15708 1 163 . 1 1 24 24 LEU HD13 H 1 0.884 0.003 . 1 . . . . 24 LEU QD1 . 15708 1 164 . 1 1 24 24 LEU HD21 H 1 0.884 0.003 . 1 . . . . 24 LEU QD2 . 15708 1 165 . 1 1 24 24 LEU HD22 H 1 0.884 0.003 . 1 . . . . 24 LEU QD2 . 15708 1 166 . 1 1 24 24 LEU HD23 H 1 0.884 0.003 . 1 . . . . 24 LEU QD2 . 15708 1 167 . 1 1 25 25 GLY H H 1 7.974 0.009 . 1 . . . . 25 GLY H . 15708 1 168 . 1 1 25 25 GLY HA2 H 1 3.915 0.001 . 2 . . . . 25 GLY HA2 . 15708 1 169 . 1 1 25 25 GLY HA3 H 1 4.003 0.003 . 2 . . . . 25 GLY HA3 . 15708 1 170 . 1 1 26 26 THR H H 1 7.820 0.002 . 1 . . . . 26 THR H . 15708 1 171 . 1 1 26 26 THR HA H 1 4.611 0.003 . 1 . . . . 26 THR HA . 15708 1 172 . 1 1 26 26 THR HB H 1 4.170 0.010 . 1 . . . . 26 THR HB . 15708 1 173 . 1 1 26 26 THR HG21 H 1 1.211 0.004 . 1 . . . . 26 THR HG1 . 15708 1 174 . 1 1 26 26 THR HG22 H 1 1.211 0.004 . 1 . . . . 26 THR HG1 . 15708 1 175 . 1 1 26 26 THR HG23 H 1 1.211 0.004 . 1 . . . . 26 THR HG1 . 15708 1 176 . 1 1 27 27 PRO HA H 1 4.390 0.002 . 1 . . . . 27 PRO HA . 15708 1 177 . 1 1 27 27 PRO HB2 H 1 2.174 0.007 . 1 . . . . 27 PRO HB2 . 15708 1 178 . 1 1 27 27 PRO HB3 H 1 2.174 0.007 . 1 . . . . 27 PRO HB3 . 15708 1 179 . 1 1 27 27 PRO HG2 H 1 2.167 0.003 . 1 . . . . 27 PRO HG2 . 15708 1 180 . 1 1 27 27 PRO HG3 H 1 2.167 0.003 . 1 . . . . 27 PRO HG3 . 15708 1 181 . 1 1 28 28 TYR H H 1 7.614 0.005 . 1 . . . . 28 TYR H . 15708 1 182 . 1 1 28 28 TYR HA H 1 4.338 0.002 . 1 . . . . 28 TYR HA . 15708 1 183 . 1 1 28 28 TYR HB2 H 1 2.642 0.007 . 2 . . . . 28 TYR HB2 . 15708 1 184 . 1 1 28 28 TYR HB3 H 1 2.715 0.005 . 2 . . . . 28 TYR HB3 . 15708 1 185 . 1 1 28 28 TYR HD1 H 1 6.881 0.003 . 1 . . . . 28 TYR HD1 . 15708 1 186 . 1 1 28 28 TYR HD2 H 1 6.881 0.003 . 1 . . . . 28 TYR HD2 . 15708 1 187 . 1 1 28 28 TYR HE1 H 1 6.709 0.004 . 1 . . . . 28 TYR HE1 . 15708 1 188 . 1 1 28 28 TYR HE2 H 1 6.709 0.004 . 1 . . . . 28 TYR HE2 . 15708 1 189 . 1 1 29 29 ASN H H 1 7.930 0.006 . 1 . . . . 29 ASN H . 15708 1 190 . 1 1 29 29 ASN HA H 1 4.678 0.001 . 1 . . . . 29 ASN HA . 15708 1 191 . 1 1 29 29 ASN HB2 H 1 2.630 0.008 . 2 . . . . 29 ASN HB2 . 15708 1 192 . 1 1 29 29 ASN HB3 H 1 2.800 0.004 . 2 . . . . 29 ASN HB3 . 15708 1 193 . 1 1 29 29 ASN HD21 H 1 7.429 0.003 . 2 . . . . 29 ASN HD21 . 15708 1 194 . 1 1 29 29 ASN HD22 H 1 6.760 0.002 . 2 . . . . 29 ASN HD22 . 15708 1 195 . 1 1 30 30 PHE H H 1 8.079 0.005 . 1 . . . . 30 PHE H . 15708 1 196 . 1 1 30 30 PHE HA H 1 4.426 0.001 . 1 . . . . 30 PHE HA . 15708 1 197 . 1 1 30 30 PHE HB2 H 1 3.067 0.006 . 2 . . . . 30 PHE HB2 . 15708 1 198 . 1 1 30 30 PHE HB3 H 1 3.187 0.004 . 2 . . . . 30 PHE HB3 . 15708 1 199 . 1 1 30 30 PHE HD1 H 1 7.281 0.003 . 1 . . . . 30 PHE HD1 . 15708 1 200 . 1 1 30 30 PHE HD2 H 1 7.281 0.003 . 1 . . . . 30 PHE HD2 . 15708 1 201 . 1 1 30 30 PHE HE1 H 1 7.217 0.004 . 1 . . . . 30 PHE HE1 . 15708 1 202 . 1 1 30 30 PHE HE2 H 1 7.217 0.004 . 1 . . . . 30 PHE HE2 . 15708 1 203 . 1 1 30 30 PHE HZ H 1 7.071 0.006 . 1 . . . . 30 PHE HZ . 15708 1 204 . 1 1 31 31 SER H H 1 8.186 0.006 . 1 . . . . 31 SER H . 15708 1 205 . 1 1 31 31 SER HA H 1 4.309 0.003 . 1 . . . . 31 SER HA . 15708 1 206 . 1 1 31 31 SER HB2 H 1 3.878 0.008 . 1 . . . . 31 SER HB2 . 15708 1 207 . 1 1 31 31 SER HB3 H 1 3.878 0.008 . 1 . . . . 31 SER HB3 . 15708 1 208 . 1 1 32 32 GLU H H 1 7.848 0.007 . 1 . . . . 32 GLU H . 15708 1 209 . 1 1 32 32 GLU HA H 1 4.232 0.001 . 1 . . . . 32 GLU HA . 15708 1 210 . 1 1 32 32 GLU HB2 H 1 1.913 0.009 . 2 . . . . 32 GLU HB2 . 15708 1 211 . 1 1 32 32 GLU HB3 H 1 2.028 0.003 . 2 . . . . 32 GLU HB3 . 15708 1 212 . 1 1 32 32 GLU HG2 H 1 2.295 0.006 . 1 . . . . 32 GLU HG2 . 15708 1 213 . 1 1 32 32 GLU HG3 H 1 2.295 0.006 . 1 . . . . 32 GLU HG3 . 15708 1 214 . 1 1 33 33 HIS H H 1 8.124 0.004 . 1 . . . . 33 HIS H . 15708 1 215 . 1 1 33 33 HIS HA H 1 4.626 0.007 . 1 . . . . 33 HIS HA . 15708 1 216 . 1 1 33 33 HIS HB2 H 1 3.197 0.006 . 2 . . . . 33 HIS HB2 . 15708 1 217 . 1 1 33 33 HIS HB3 H 1 3.341 0.003 . 2 . . . . 33 HIS HB3 . 15708 1 218 . 1 1 33 33 HIS HD2 H 1 7.316 0.003 . 1 . . . . 33 HIS HD2 . 15708 1 219 . 1 1 34 34 CYS H H 1 8.158 0.002 . 1 . . . . 34 CYS H . 15708 1 220 . 1 1 34 34 CYS HA H 1 4.660 0.001 . 1 . . . . 34 CYS HA . 15708 1 221 . 1 1 34 34 CYS HB2 H 1 3.218 0.004 . 2 . . . . 34 CYS HB2 . 15708 1 222 . 1 1 34 34 CYS HB3 H 1 2.981 0.006 . 2 . . . . 34 CYS HB3 . 15708 1 223 . 1 1 35 35 GLN H H 1 8.245 0.007 . 1 . . . . 35 GLN H . 15708 1 224 . 1 1 35 35 GLN HA H 1 4.334 0.001 . 1 . . . . 35 GLN HA . 15708 1 225 . 1 1 35 35 GLN HB2 H 1 1.984 0.007 . 2 . . . . 35 GLN HB2 . 15708 1 226 . 1 1 35 35 GLN HB3 H 1 2.110 0.005 . 2 . . . . 35 GLN HB3 . 15708 1 227 . 1 1 35 35 GLN HE21 H 1 7.417 0.003 . 2 . . . . 35 GLN HE21 . 15708 1 228 . 1 1 35 35 GLN HE22 H 1 6.755 0.003 . 2 . . . . 35 GLN HE22 . 15708 1 229 . 1 1 35 35 GLN HG2 H 1 2.345 0.003 . 1 . . . . 35 GLN HG2 . 15708 1 230 . 1 1 35 35 GLN HG3 H 1 2.345 0.003 . 1 . . . . 35 GLN HG3 . 15708 1 231 . 1 1 36 36 ASP H H 1 8.314 0.002 . 1 . . . . 36 ASP H . 15708 1 232 . 1 1 36 36 ASP HA H 1 4.650 0.003 . 1 . . . . 36 ASP HA . 15708 1 233 . 1 1 36 36 ASP HB2 H 1 2.696 0.003 . 2 . . . . 36 ASP HB2 . 15708 1 234 . 1 1 36 36 ASP HB3 H 1 2.756 0.004 . 2 . . . . 36 ASP HB3 . 15708 1 235 . 1 1 37 37 SER H H 1 8.182 0.006 . 1 . . . . 37 SER H . 15708 1 236 . 1 1 37 37 SER HA H 1 4.454 0.002 . 1 . . . . 37 SER HA . 15708 1 237 . 1 1 37 37 SER HB2 H 1 3.848 0.004 . 1 . . . . 37 SER HB2 . 15708 1 238 . 1 1 37 37 SER HB3 H 1 3.848 0.004 . 1 . . . . 37 SER HB3 . 15708 1 239 . 1 1 38 38 VAL H H 1 7.990 0.007 . 1 . . . . 38 VAL H . 15708 1 240 . 1 1 38 38 VAL HA H 1 4.143 0.003 . 1 . . . . 38 VAL HA . 15708 1 241 . 1 1 38 38 VAL HB H 1 2.086 0.004 . 1 . . . . 38 VAL HB . 15708 1 242 . 1 1 38 38 VAL HG11 H 1 0.847 0.003 . 2 . . . . 38 VAL HG11 . 15708 1 243 . 1 1 38 38 VAL HG12 H 1 0.847 0.003 . 2 . . . . 38 VAL HG12 . 15708 1 244 . 1 1 38 38 VAL HG13 H 1 0.847 0.003 . 2 . . . . 38 VAL HG13 . 15708 1 245 . 1 1 38 38 VAL HG21 H 1 0.889 0.003 . 2 . . . . 38 VAL HG21 . 15708 1 246 . 1 1 38 38 VAL HG22 H 1 0.889 0.003 . 2 . . . . 38 VAL HG22 . 15708 1 247 . 1 1 38 38 VAL HG23 H 1 0.889 0.003 . 2 . . . . 38 VAL HG23 . 15708 1 248 . 1 1 39 39 ASP H H 1 8.295 0.004 . 1 . . . . 39 ASP H . 15708 1 249 . 1 1 39 39 ASP HA H 1 4.620 0.003 . 1 . . . . 39 ASP HA . 15708 1 250 . 1 1 39 39 ASP HB2 H 1 2.595 0.007 . 1 . . . . 39 ASP HB2 . 15708 1 251 . 1 1 39 39 ASP HB3 H 1 2.595 0.007 . 1 . . . . 39 ASP HB3 . 15708 1 252 . 1 1 40 40 VAL H H 1 7.947 0.006 . 1 . . . . 40 VAL H . 15708 1 253 . 1 1 40 40 VAL HA H 1 4.116 0.005 . 1 . . . . 40 VAL HA . 15708 1 254 . 1 1 40 40 VAL HB H 1 2.092 0.003 . 1 . . . . 40 VAL HB . 15708 1 255 . 1 1 40 40 VAL HG11 H 1 0.898 0.002 . 1 . . . . 40 VAL QG1 . 15708 1 256 . 1 1 40 40 VAL HG12 H 1 0.898 0.002 . 1 . . . . 40 VAL QG1 . 15708 1 257 . 1 1 40 40 VAL HG13 H 1 0.898 0.002 . 1 . . . . 40 VAL QG1 . 15708 1 258 . 1 1 40 40 VAL HG21 H 1 0.898 0.002 . 1 . . . . 40 VAL QG2 . 15708 1 259 . 1 1 40 40 VAL HG22 H 1 0.898 0.002 . 1 . . . . 40 VAL QG2 . 15708 1 260 . 1 1 40 40 VAL HG23 H 1 0.898 0.002 . 1 . . . . 40 VAL QG2 . 15708 1 261 . 1 1 41 41 MET H H 1 7.898 0.003 . 1 . . . . 41 MET H . 15708 1 262 . 1 1 41 41 MET HA H 1 4.344 0.003 . 1 . . . . 41 MET HA . 15708 1 263 . 1 1 41 41 MET HB2 H 1 1.921 0.003 . 2 . . . . 41 MET HB2 . 15708 1 264 . 1 1 41 41 MET HB3 H 1 1.912 0.003 . 2 . . . . 41 MET HB3 . 15708 1 265 . 1 1 41 41 MET HG2 H 1 2.341 0.003 . 1 . . . . 41 MET HG2 . 15708 1 266 . 1 1 41 41 MET HG3 H 1 2.341 0.003 . 1 . . . . 41 MET HG3 . 15708 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15708 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.003 _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 'deviation from averaging procedure' _Assigned_chem_shift_list.Details 'chemical shifts are referenced to the water position at 4.63 ppm at 310K' _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 7 '2D 1H-1H NOESY' . . . 15708 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY_CARA . . 15708 2 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.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 MET HA H 1 4.071 0.003 . 1 . . . . 1 MET HA . 15708 2 2 . 1 1 2 2 ASN H H 1 8.990 0.005 . 1 . . . . 2 ASN H . 15708 2 3 . 1 1 2 2 ASN HA H 1 4.920 0.004 . 1 . . . . 2 ASN HA . 15708 2 4 . 1 1 2 2 ASN HB2 H 1 2.920 0.003 . 2 . . . . 2 ASN HB2 . 15708 2 5 . 1 1 2 2 ASN HB3 H 1 2.800 0.003 . 2 . . . . 2 ASN HB3 . 15708 2 6 . 1 1 2 2 ASN HD21 H 1 7.660 0.003 . 2 . . . . 2 ASN HD21 . 15708 2 7 . 1 1 2 2 ASN HD22 H 1 6.900 0.003 . 2 . . . . 2 ASN HD22 . 15708 2 8 . 1 1 3 3 THR H H 1 8.630 0.002 . 1 . . . . 3 THR H . 15708 2 9 . 1 1 3 3 THR HA H 1 3.890 0.001 . 1 . . . . 3 THR HA . 15708 2 10 . 1 1 3 3 THR HB H 1 4.200 0.003 . 1 . . . . 3 THR HB . 15708 2 11 . 1 1 3 3 THR HG21 H 1 1.198 0.003 . 1 . . . . 3 THR HG21 . 15708 2 12 . 1 1 3 3 THR HG22 H 1 1.198 0.003 . 1 . . . . 3 THR HG22 . 15708 2 13 . 1 1 3 3 THR HG23 H 1 1.198 0.003 . 1 . . . . 3 THR HG23 . 15708 2 14 . 1 1 4 4 SER H H 1 8.430 0.002 . 1 . . . . 4 SER H . 15708 2 15 . 1 1 4 4 SER HA H 1 4.137 0.003 . 1 . . . . 4 SER HA . 15708 2 16 . 1 1 4 4 SER HB2 H 1 3.905 0.001 . 1 . . . . 4 SER HB2 . 15708 2 17 . 1 1 4 4 SER HB3 H 1 3.905 0.001 . 1 . . . . 4 SER HB3 . 15708 2 18 . 1 1 5 5 HIS H H 1 8.108 0.004 . 1 . . . . 5 HIS H . 15708 2 19 . 1 1 5 5 HIS HA H 1 4.502 0.003 . 1 . . . . 5 HIS HA . 15708 2 20 . 1 1 5 5 HIS HB2 H 1 3.250 0.001 . 1 . . . . 5 HIS HB2 . 15708 2 21 . 1 1 5 5 HIS HB3 H 1 3.250 0.001 . 1 . . . . 5 HIS HB3 . 15708 2 22 . 1 1 5 5 HIS HD2 H 1 6.890 0.003 . 1 . . . . 5 HIS HD2 . 15708 2 23 . 1 1 5 5 HIS HE1 H 1 7.660 0.003 . 1 . . . . 5 HIS HE1 . 15708 2 24 . 1 1 6 6 LEU H H 1 7.688 0.002 . 1 . . . . 6 LEU H . 15708 2 25 . 1 1 6 6 LEU HA H 1 3.984 0.002 . 1 . . . . 6 LEU HA . 15708 2 26 . 1 1 6 6 LEU HB2 H 1 1.743 0.003 . 1 . . . . 6 LEU HB2 . 15708 2 27 . 1 1 6 6 LEU HB3 H 1 1.743 0.003 . 1 . . . . 6 LEU HB3 . 15708 2 28 . 1 1 6 6 LEU HD11 H 1 0.896 0.003 . 2 . . . . 6 LEU HD11 . 15708 2 29 . 1 1 6 6 LEU HD12 H 1 0.896 0.003 . 2 . . . . 6 LEU HD12 . 15708 2 30 . 1 1 6 6 LEU HD13 H 1 0.896 0.003 . 2 . . . . 6 LEU HD13 . 15708 2 31 . 1 1 6 6 LEU HD21 H 1 0.839 0.003 . 2 . . . . 6 LEU HD21 . 15708 2 32 . 1 1 6 6 LEU HD22 H 1 0.839 0.003 . 2 . . . . 6 LEU HD22 . 15708 2 33 . 1 1 6 6 LEU HD23 H 1 0.839 0.003 . 2 . . . . 6 LEU HD23 . 15708 2 34 . 1 1 6 6 LEU HG H 1 1.670 0.009 . 1 . . . . 6 LEU HG . 15708 2 35 . 1 1 7 7 LEU H H 1 8.011 0.003 . 1 . . . . 7 LEU H . 15708 2 36 . 1 1 7 7 LEU HA H 1 3.913 0.003 . 1 . . . . 7 LEU HA . 15708 2 37 . 1 1 7 7 LEU HB2 H 1 1.755 0.003 . 1 . . . . 7 LEU HB2 . 15708 2 38 . 1 1 7 7 LEU HB3 H 1 1.755 0.003 . 1 . . . . 7 LEU HB3 . 15708 2 39 . 1 1 7 7 LEU HD11 H 1 0.850 0.003 . 1 . . . . 7 LEU QD1 . 15708 2 40 . 1 1 7 7 LEU HD12 H 1 0.850 0.003 . 1 . . . . 7 LEU QD1 . 15708 2 41 . 1 1 7 7 LEU HD13 H 1 0.850 0.003 . 1 . . . . 7 LEU QD1 . 15708 2 42 . 1 1 7 7 LEU HD21 H 1 0.850 0.003 . 1 . . . . 7 LEU QD2 . 15708 2 43 . 1 1 7 7 LEU HD22 H 1 0.850 0.003 . 1 . . . . 7 LEU QD2 . 15708 2 44 . 1 1 7 7 LEU HD23 H 1 0.850 0.003 . 1 . . . . 7 LEU QD2 . 15708 2 45 . 1 1 7 7 LEU HG H 1 1.580 0.007 . 1 . . . . 7 LEU HG . 15708 2 46 . 1 1 8 8 ALA H H 1 7.522 0.003 . 1 . . . . 8 ALA H . 15708 2 47 . 1 1 8 8 ALA HA H 1 4.031 0.003 . 1 . . . . 8 ALA HA . 15708 2 48 . 1 1 8 8 ALA HB1 H 1 1.440 0.003 . 1 . . . . 8 ALA HB1 . 15708 2 49 . 1 1 8 8 ALA HB2 H 1 1.440 0.003 . 1 . . . . 8 ALA HB2 . 15708 2 50 . 1 1 8 8 ALA HB3 H 1 1.440 0.003 . 1 . . . . 8 ALA HB3 . 15708 2 51 . 1 1 9 9 LEU H H 1 7.398 0.002 . 1 . . . . 9 LEU H . 15708 2 52 . 1 1 9 9 LEU HA H 1 4.092 0.003 . 1 . . . . 9 LEU HA . 15708 2 53 . 1 1 9 9 LEU HB2 H 1 1.889 0.003 . 1 . . . . 9 LEU HB2 . 15708 2 54 . 1 1 9 9 LEU HB3 H 1 1.889 0.003 . 1 . . . . 9 LEU HB3 . 15708 2 55 . 1 1 9 9 LEU HD11 H 1 0.829 0.003 . 1 . . . . 9 LEU QD1 . 15708 2 56 . 1 1 9 9 LEU HD12 H 1 0.829 0.003 . 1 . . . . 9 LEU QD1 . 15708 2 57 . 1 1 9 9 LEU HD13 H 1 0.829 0.003 . 1 . . . . 9 LEU QD1 . 15708 2 58 . 1 1 9 9 LEU HD21 H 1 0.829 0.003 . 1 . . . . 9 LEU QD2 . 15708 2 59 . 1 1 9 9 LEU HD22 H 1 0.829 0.003 . 1 . . . . 9 LEU QD2 . 15708 2 60 . 1 1 9 9 LEU HD23 H 1 0.829 0.003 . 1 . . . . 9 LEU QD2 . 15708 2 61 . 1 1 9 9 LEU HG H 1 1.470 0.014 . 1 . . . . 9 LEU HG . 15708 2 62 . 1 1 10 10 LEU H H 1 7.428 0.005 . 1 . . . . 10 LEU H . 15708 2 63 . 1 1 10 10 LEU HA H 1 4.192 0.003 . 1 . . . . 10 LEU HA . 15708 2 64 . 1 1 10 10 LEU HB2 H 1 1.720 0.003 . 1 . . . . 10 LEU HB2 . 15708 2 65 . 1 1 10 10 LEU HB3 H 1 1.720 0.003 . 1 . . . . 10 LEU HB3 . 15708 2 66 . 1 1 10 10 LEU HD11 H 1 0.830 0.035 . 2 . . . . 10 LEU HD11 . 15708 2 67 . 1 1 10 10 LEU HD12 H 1 0.830 0.035 . 2 . . . . 10 LEU HD12 . 15708 2 68 . 1 1 10 10 LEU HD13 H 1 0.830 0.035 . 2 . . . . 10 LEU HD13 . 15708 2 69 . 1 1 10 10 LEU HD21 H 1 0.790 0.029 . 2 . . . . 10 LEU HD21 . 15708 2 70 . 1 1 10 10 LEU HD22 H 1 0.790 0.029 . 2 . . . . 10 LEU HD22 . 15708 2 71 . 1 1 10 10 LEU HD23 H 1 0.790 0.029 . 2 . . . . 10 LEU HD23 . 15708 2 72 . 1 1 10 10 LEU HG H 1 1.558 0.010 . 1 . . . . 10 LEU HG . 15708 2 73 . 1 1 11 11 LEU H H 1 7.496 0.001 . 1 . . . . 11 LEU H . 15708 2 74 . 1 1 11 11 LEU HA H 1 4.513 0.003 . 1 . . . . 11 LEU HA . 15708 2 75 . 1 1 11 11 LEU HB2 H 1 1.654 0.002 . 1 . . . . 11 LEU HB2 . 15708 2 76 . 1 1 11 11 LEU HB3 H 1 1.654 0.002 . 1 . . . . 11 LEU HB3 . 15708 2 77 . 1 1 11 11 LEU HD11 H 1 0.870 0.003 . 1 . . . . 11 LEU QD1 . 15708 2 78 . 1 1 11 11 LEU HD12 H 1 0.870 0.003 . 1 . . . . 11 LEU QD1 . 15708 2 79 . 1 1 11 11 LEU HD13 H 1 0.870 0.003 . 1 . . . . 11 LEU QD1 . 15708 2 80 . 1 1 11 11 LEU HD21 H 1 0.870 0.003 . 1 . . . . 11 LEU QD2 . 15708 2 81 . 1 1 11 11 LEU HD22 H 1 0.870 0.003 . 1 . . . . 11 LEU QD2 . 15708 2 82 . 1 1 11 11 LEU HD23 H 1 0.870 0.003 . 1 . . . . 11 LEU QD2 . 15708 2 83 . 1 1 11 11 LEU HG H 1 1.505 0.003 . 1 . . . . 11 LEU HG . 15708 2 84 . 1 1 12 12 PRO HB2 H 1 2.290 0.003 . 2 . . . . 12 PRO HB2 . 15708 2 85 . 1 1 12 12 PRO HB3 H 1 1.860 0.003 . 2 . . . . 12 PRO HB3 . 15708 2 86 . 1 1 12 12 PRO HD2 H 1 3.540 0.003 . 2 . . . . 12 PRO HD2 . 15708 2 87 . 1 1 12 12 PRO HD3 H 1 3.690 0.003 . 2 . . . . 12 PRO HD3 . 15708 2 88 . 1 1 13 13 LYS H H 1 8.350 0.002 . 1 . . . . 13 LYS H . 15708 2 89 . 1 1 13 13 LYS HA H 1 4.300 0.003 . 1 . . . . 13 LYS HA . 15708 2 90 . 1 1 13 13 LYS HB2 H 1 1.700 0.001 . 1 . . . . 13 LYS HB2 . 15708 2 91 . 1 1 13 13 LYS HB3 H 1 1.700 0.001 . 1 . . . . 13 LYS HB3 . 15708 2 92 . 1 1 13 13 LYS HD2 H 1 1.780 0.003 . 1 . . . . 13 LYS HD2 . 15708 2 93 . 1 1 13 13 LYS HD3 H 1 1.780 0.003 . 1 . . . . 13 LYS HD3 . 15708 2 94 . 1 1 13 13 LYS HE2 H 1 2.960 0.003 . 1 . . . . 13 LYS HE2 . 15708 2 95 . 1 1 13 13 LYS HE3 H 1 2.960 0.003 . 1 . . . . 13 LYS HE3 . 15708 2 96 . 1 1 13 13 LYS HG2 H 1 1.420 0.003 . 1 . . . . 13 LYS HG2 . 15708 2 97 . 1 1 13 13 LYS HG3 H 1 1.420 0.003 . 1 . . . . 13 LYS HG3 . 15708 2 98 . 1 1 14 14 SER H H 1 8.300 0.003 . 1 . . . . 14 SER H . 15708 2 99 . 1 1 14 14 SER HA H 1 4.680 0.003 . 1 . . . . 14 SER HA . 15708 2 100 . 1 1 14 14 SER HB2 H 1 3.808 0.003 . 1 . . . . 14 SER HB2 . 15708 2 101 . 1 1 14 14 SER HB3 H 1 3.808 0.003 . 1 . . . . 14 SER HB3 . 15708 2 102 . 1 1 15 15 PRO HA H 1 4.402 0.003 . 1 . . . . 15 PRO HA . 15708 2 103 . 1 1 15 15 PRO HB2 H 1 2.240 0.003 . 2 . . . . 15 PRO HB2 . 15708 2 104 . 1 1 15 15 PRO HB3 H 1 1.880 0.003 . 2 . . . . 15 PRO HB3 . 15708 2 105 . 1 1 15 15 PRO HD2 H 1 3.690 0.003 . 2 . . . . 15 PRO HD2 . 15708 2 106 . 1 1 15 15 PRO HD3 H 1 3.790 0.003 . 2 . . . . 15 PRO HD3 . 15708 2 107 . 1 1 15 15 PRO HG2 H 1 1.970 0.003 . 1 . . . . 15 PRO HG2 . 15708 2 108 . 1 1 15 15 PRO HG3 H 1 1.970 0.003 . 1 . . . . 15 PRO HG3 . 15708 2 109 . 1 1 16 16 GLN H H 1 8.364 0.005 . 1 . . . . 16 GLN H . 15708 2 110 . 1 1 16 16 GLN HA H 1 4.269 0.003 . 1 . . . . 16 GLN HA . 15708 2 111 . 1 1 16 16 GLN HB2 H 1 2.080 0.009 . 2 . . . . 16 GLN HB2 . 15708 2 112 . 1 1 16 16 GLN HB3 H 1 1.941 0.013 . 2 . . . . 16 GLN HB3 . 15708 2 113 . 1 1 16 16 GLN HE21 H 1 7.450 0.003 . 2 . . . . 16 GLN HE21 . 15708 2 114 . 1 1 16 16 GLN HE22 H 1 6.780 0.003 . 2 . . . . 16 GLN HE22 . 15708 2 115 . 1 1 16 16 GLN HG2 H 1 2.330 0.003 . 1 . . . . 16 GLN HG2 . 15708 2 116 . 1 1 16 16 GLN HG3 H 1 2.330 0.003 . 1 . . . . 16 GLN HG3 . 15708 2 117 . 1 1 17 17 GLY H H 1 8.272 0.004 . 1 . . . . 17 GLY H . 15708 2 118 . 1 1 17 17 GLY HA2 H 1 3.905 0.001 . 1 . . . . 17 GLY HA2 . 15708 2 119 . 1 1 17 17 GLY HA3 H 1 3.905 0.001 . 1 . . . . 17 GLY HA3 . 15708 2 120 . 1 1 18 18 GLU H H 1 8.220 0.002 . 1 . . . . 18 GLU H . 15708 2 121 . 1 1 18 18 GLU HA H 1 4.255 0.001 . 1 . . . . 18 GLU HA . 15708 2 122 . 1 1 18 18 GLU HB2 H 1 2.006 0.003 . 2 . . . . 18 GLU HB2 . 15708 2 123 . 1 1 18 18 GLU HB3 H 1 1.880 0.003 . 2 . . . . 18 GLU HB3 . 15708 2 124 . 1 1 18 18 GLU HG2 H 1 2.240 0.002 . 1 . . . . 18 GLU HG2 . 15708 2 125 . 1 1 18 18 GLU HG3 H 1 2.240 0.002 . 1 . . . . 18 GLU HG3 . 15708 2 126 . 1 1 19 19 ASN H H 1 8.450 0.008 . 1 . . . . 19 ASN H . 15708 2 127 . 1 1 19 19 ASN HA H 1 4.640 0.002 . 1 . . . . 19 ASN HA . 15708 2 128 . 1 1 19 19 ASN HB2 H 1 2.791 0.003 . 2 . . . . 19 ASN HB2 . 15708 2 129 . 1 1 19 19 ASN HB3 H 1 2.710 0.003 . 2 . . . . 19 ASN HB3 . 15708 2 130 . 1 1 19 19 ASN HD21 H 1 7.530 0.003 . 2 . . . . 19 ASN HD21 . 15708 2 131 . 1 1 19 19 ASN HD22 H 1 6.860 0.003 . 2 . . . . 19 ASN HD22 . 15708 2 132 . 1 1 20 20 ARG H H 1 8.260 0.001 . 1 . . . . 20 ARG H . 15708 2 133 . 1 1 20 20 ARG HA H 1 4.310 0.001 . 1 . . . . 20 ARG HA . 15708 2 134 . 1 1 20 20 ARG HB2 H 1 1.848 0.003 . 2 . . . . 20 ARG HB2 . 15708 2 135 . 1 1 20 20 ARG HB3 H 1 1.710 0.003 . 2 . . . . 20 ARG HB3 . 15708 2 136 . 1 1 20 20 ARG HD2 H 1 3.137 0.009 . 1 . . . . 20 ARG HD2 . 15708 2 137 . 1 1 20 20 ARG HD3 H 1 3.137 0.009 . 1 . . . . 20 ARG HD3 . 15708 2 138 . 1 1 20 20 ARG HG2 H 1 1.580 0.004 . 1 . . . . 20 ARG HG2 . 15708 2 139 . 1 1 20 20 ARG HG3 H 1 1.580 0.004 . 1 . . . . 20 ARG HG3 . 15708 2 140 . 1 1 21 21 SER H H 1 8.216 0.002 . 1 . . . . 21 SER H . 15708 2 141 . 1 1 21 21 SER HA H 1 4.369 0.003 . 1 . . . . 21 SER HA . 15708 2 142 . 1 1 21 21 SER HB2 H 1 3.800 0.003 . 1 . . . . 21 SER HB2 . 15708 2 143 . 1 1 21 21 SER HB3 H 1 3.800 0.003 . 1 . . . . 21 SER HB3 . 15708 2 144 . 1 1 22 22 LYS H H 1 8.101 0.002 . 1 . . . . 22 LYS H . 15708 2 145 . 1 1 22 22 LYS HA H 1 4.570 0.003 . 1 . . . . 22 LYS HA . 15708 2 146 . 1 1 22 22 LYS HB2 H 1 1.650 0.003 . 1 . . . . 22 LYS HB2 . 15708 2 147 . 1 1 22 22 LYS HB3 H 1 1.650 0.003 . 1 . . . . 22 LYS HB3 . 15708 2 148 . 1 1 22 22 LYS HD2 H 1 1.410 0.003 . 1 . . . . 22 LYS HD2 . 15708 2 149 . 1 1 22 22 LYS HD3 H 1 1.410 0.003 . 1 . . . . 22 LYS HD3 . 15708 2 150 . 1 1 22 22 LYS HE2 H 1 2.950 0.003 . 1 . . . . 22 LYS HE2 . 15708 2 151 . 1 1 22 22 LYS HE3 H 1 2.950 0.003 . 1 . . . . 22 LYS HE3 . 15708 2 152 . 1 1 22 22 LYS HG2 H 1 1.760 0.003 . 1 . . . . 22 LYS HG2 . 15708 2 153 . 1 1 22 22 LYS HG3 H 1 1.760 0.003 . 1 . . . . 22 LYS HG3 . 15708 2 154 . 1 1 23 23 PRO HA H 1 4.400 0.003 . 1 . . . . 23 PRO HA . 15708 2 155 . 1 1 23 23 PRO HB2 H 1 2.270 0.003 . 1 . . . . 23 PRO HB2 . 15708 2 156 . 1 1 23 23 PRO HB3 H 1 2.270 0.003 . 1 . . . . 23 PRO HB3 . 15708 2 157 . 1 1 23 23 PRO HD2 H 1 3.550 0.003 . 1 . . . . 23 PRO HD2 . 15708 2 158 . 1 1 23 23 PRO HD3 H 1 3.550 0.003 . 1 . . . . 23 PRO HD3 . 15708 2 159 . 1 1 23 23 PRO HG2 H 1 1.980 0.003 . 1 . . . . 23 PRO HG2 . 15708 2 160 . 1 1 23 23 PRO HG3 H 1 1.980 0.003 . 1 . . . . 23 PRO HG3 . 15708 2 161 . 1 1 24 24 LEU H H 1 8.340 0.003 . 1 . . . . 24 LEU H . 15708 2 162 . 1 1 24 24 LEU HA H 1 4.264 0.003 . 1 . . . . 24 LEU HA . 15708 2 163 . 1 1 24 24 LEU HB2 H 1 1.629 0.003 . 1 . . . . 24 LEU HB2 . 15708 2 164 . 1 1 24 24 LEU HB3 H 1 1.629 0.003 . 1 . . . . 24 LEU HB3 . 15708 2 165 . 1 1 24 24 LEU HD11 H 1 0.860 0.003 . 1 . . . . 24 LEU QD1 . 15708 2 166 . 1 1 24 24 LEU HD12 H 1 0.860 0.003 . 1 . . . . 24 LEU QD1 . 15708 2 167 . 1 1 24 24 LEU HD13 H 1 0.860 0.003 . 1 . . . . 24 LEU QD1 . 15708 2 168 . 1 1 24 24 LEU HD21 H 1 0.860 0.003 . 1 . . . . 24 LEU QD2 . 15708 2 169 . 1 1 24 24 LEU HD22 H 1 0.860 0.003 . 1 . . . . 24 LEU QD2 . 15708 2 170 . 1 1 24 24 LEU HD23 H 1 0.860 0.003 . 1 . . . . 24 LEU QD2 . 15708 2 171 . 1 1 24 24 LEU HG H 1 1.546 0.003 . 1 . . . . 24 LEU HG . 15708 2 172 . 1 1 25 25 GLY H H 1 8.271 0.002 . 1 . . . . 25 GLY H . 15708 2 173 . 1 1 25 25 GLY HA2 H 1 3.918 0.003 . 1 . . . . 25 GLY HA2 . 15708 2 174 . 1 1 25 25 GLY HA3 H 1 3.918 0.003 . 1 . . . . 25 GLY HA3 . 15708 2 175 . 1 1 26 26 THR H H 1 7.941 0.002 . 1 . . . . 26 THR H . 15708 2 176 . 1 1 26 26 THR HA H 1 4.533 0.003 . 1 . . . . 26 THR HA . 15708 2 177 . 1 1 26 26 THR HB H 1 4.080 0.003 . 1 . . . . 26 THR HB . 15708 2 178 . 1 1 26 26 THR HG21 H 1 1.144 0.003 . 1 . . . . 26 THR HG21 . 15708 2 179 . 1 1 26 26 THR HG22 H 1 1.144 0.003 . 1 . . . . 26 THR HG22 . 15708 2 180 . 1 1 26 26 THR HG23 H 1 1.144 0.003 . 1 . . . . 26 THR HG23 . 15708 2 181 . 1 1 27 27 PRO HB2 H 1 2.470 0.003 . 2 . . . . 27 PRO HB2 . 15708 2 182 . 1 1 27 27 PRO HB3 H 1 2.140 0.003 . 2 . . . . 27 PRO HB3 . 15708 2 183 . 1 1 27 27 PRO HD2 H 1 3.750 0.003 . 2 . . . . 27 PRO HD2 . 15708 2 184 . 1 1 27 27 PRO HD3 H 1 3.570 0.003 . 2 . . . . 27 PRO HD3 . 15708 2 185 . 1 1 27 27 PRO HG2 H 1 1.960 0.003 . 2 . . . . 27 PRO HG2 . 15708 2 186 . 1 1 27 27 PRO HG3 H 1 1.820 0.003 . 2 . . . . 27 PRO HG3 . 15708 2 187 . 1 1 28 28 TYR H H 1 7.910 0.012 . 1 . . . . 28 TYR H . 15708 2 188 . 1 1 28 28 TYR HA H 1 4.342 0.003 . 1 . . . . 28 TYR HA . 15708 2 189 . 1 1 28 28 TYR HB2 H 1 2.788 0.004 . 1 . . . . 28 TYR HB2 . 15708 2 190 . 1 1 28 28 TYR HB3 H 1 2.788 0.004 . 1 . . . . 28 TYR HB3 . 15708 2 191 . 1 1 28 28 TYR HD1 H 1 6.918 0.004 . 1 . . . . 28 TYR HD1 . 15708 2 192 . 1 1 28 28 TYR HD2 H 1 6.918 0.004 . 1 . . . . 28 TYR HD2 . 15708 2 193 . 1 1 28 28 TYR HE1 H 1 6.714 0.003 . 1 . . . . 28 TYR HE1 . 15708 2 194 . 1 1 28 28 TYR HE2 H 1 6.714 0.003 . 1 . . . . 28 TYR HE2 . 15708 2 195 . 1 1 29 29 ASN H H 1 8.080 0.010 . 1 . . . . 29 ASN H . 15708 2 196 . 1 1 29 29 ASN HA H 1 4.610 0.004 . 1 . . . . 29 ASN HA . 15708 2 197 . 1 1 29 29 ASN HB2 H 1 2.708 0.008 . 2 . . . . 29 ASN HB2 . 15708 2 198 . 1 1 29 29 ASN HB3 H 1 2.589 0.004 . 2 . . . . 29 ASN HB3 . 15708 2 199 . 1 1 29 29 ASN HD21 H 1 7.480 0.003 . 2 . . . . 29 ASN HD21 . 15708 2 200 . 1 1 29 29 ASN HD22 H 1 6.790 0.003 . 2 . . . . 29 ASN HD22 . 15708 2 201 . 1 1 30 30 PHE H H 1 8.210 0.044 . 1 . . . . 30 PHE H . 15708 2 202 . 1 1 30 30 PHE HA H 1 4.440 0.003 . 1 . . . . 30 PHE HA . 15708 2 203 . 1 1 30 30 PHE HB2 H 1 3.130 0.003 . 2 . . . . 30 PHE HB2 . 15708 2 204 . 1 1 30 30 PHE HB3 H 1 3.050 0.003 . 2 . . . . 30 PHE HB3 . 15708 2 205 . 1 1 30 30 PHE HD1 H 1 7.240 0.003 . 1 . . . . 30 PHE HD1 . 15708 2 206 . 1 1 30 30 PHE HD2 H 1 7.240 0.003 . 1 . . . . 30 PHE HD2 . 15708 2 207 . 1 1 30 30 PHE HE1 H 1 7.140 0.003 . 1 . . . . 30 PHE HE1 . 15708 2 208 . 1 1 30 30 PHE HE2 H 1 7.140 0.003 . 1 . . . . 30 PHE HE2 . 15708 2 209 . 1 1 31 31 SER H H 1 8.071 0.007 . 1 . . . . 31 SER H . 15708 2 210 . 1 1 31 31 SER HA H 1 4.391 0.001 . 1 . . . . 31 SER HA . 15708 2 211 . 1 1 31 31 SER HB2 H 1 3.813 0.003 . 1 . . . . 31 SER HB2 . 15708 2 212 . 1 1 31 31 SER HB3 H 1 3.813 0.003 . 1 . . . . 31 SER HB3 . 15708 2 213 . 1 1 32 32 GLU H H 1 8.080 0.025 . 1 . . . . 32 GLU H . 15708 2 214 . 1 1 32 32 GLU HA H 1 4.160 0.131 . 1 . . . . 32 GLU HA . 15708 2 215 . 1 1 32 32 GLU HB2 H 1 1.940 0.019 . 2 . . . . 32 GLU HB2 . 15708 2 216 . 1 1 32 32 GLU HB3 H 1 1.850 0.001 . 2 . . . . 32 GLU HB3 . 15708 2 217 . 1 1 32 32 GLU HG2 H 1 2.210 0.012 . 1 . . . . 32 GLU HG2 . 15708 2 218 . 1 1 32 32 GLU HG3 H 1 2.210 0.012 . 1 . . . . 32 GLU HG3 . 15708 2 219 . 1 1 33 33 HIS H H 1 8.240 0.050 . 1 . . . . 33 HIS H . 15708 2 220 . 1 1 33 33 HIS HA H 1 4.590 0.168 . 1 . . . . 33 HIS HA . 15708 2 221 . 1 1 33 33 HIS HB2 H 1 3.280 0.020 . 2 . . . . 33 HIS HB2 . 15708 2 222 . 1 1 33 33 HIS HB3 H 1 3.090 0.008 . 2 . . . . 33 HIS HB3 . 15708 2 223 . 1 1 34 34 CYS H H 1 8.200 0.106 . 1 . . . . 34 CYS H . 15708 2 224 . 1 1 34 34 CYS HA H 1 4.390 0.137 . 1 . . . . 34 CYS HA . 15708 2 225 . 1 1 34 34 CYS HB2 H 1 2.855 0.003 . 1 . . . . 34 CYS HB2 . 15708 2 226 . 1 1 34 34 CYS HB3 H 1 2.855 0.003 . 1 . . . . 34 CYS HB3 . 15708 2 227 . 1 1 35 35 GLN H H 1 8.430 0.031 . 1 . . . . 35 GLN H . 15708 2 228 . 1 1 35 35 GLN HA H 1 4.250 0.031 . 1 . . . . 35 GLN HA . 15708 2 229 . 1 1 35 35 GLN HB2 H 1 2.080 0.013 . 2 . . . . 35 GLN HB2 . 15708 2 230 . 1 1 35 35 GLN HB3 H 1 1.960 0.009 . 2 . . . . 35 GLN HB3 . 15708 2 231 . 1 1 35 35 GLN HE21 H 1 7.430 0.003 . 2 . . . . 35 GLN HE21 . 15708 2 232 . 1 1 35 35 GLN HE22 H 1 6.760 0.003 . 2 . . . . 35 GLN HE22 . 15708 2 233 . 1 1 35 35 GLN HG2 H 1 2.310 0.008 . 1 . . . . 35 GLN HG2 . 15708 2 234 . 1 1 35 35 GLN HG3 H 1 2.310 0.008 . 1 . . . . 35 GLN HG3 . 15708 2 235 . 1 1 36 36 ASP H H 1 8.250 0.037 . 1 . . . . 36 ASP H . 15708 2 236 . 1 1 36 36 ASP HA H 1 4.640 0.165 . 1 . . . . 36 ASP HA . 15708 2 237 . 1 1 36 36 ASP HB2 H 1 2.760 0.022 . 2 . . . . 36 ASP HB2 . 15708 2 238 . 1 1 36 36 ASP HB3 H 1 2.640 0.007 . 2 . . . . 36 ASP HB3 . 15708 2 239 . 1 1 37 37 SER H H 1 8.130 0.010 . 1 . . . . 37 SER H . 15708 2 240 . 1 1 37 37 SER HA H 1 4.420 0.092 . 1 . . . . 37 SER HA . 15708 2 241 . 1 1 37 37 SER HB2 H 1 3.795 0.005 . 1 . . . . 37 SER HB2 . 15708 2 242 . 1 1 37 37 SER HB3 H 1 3.795 0.005 . 1 . . . . 37 SER HB3 . 15708 2 243 . 1 1 38 38 VAL H H 1 8.005 0.002 . 1 . . . . 38 VAL H . 15708 2 244 . 1 1 38 38 VAL HA H 1 4.109 0.002 . 1 . . . . 38 VAL HA . 15708 2 245 . 1 1 38 38 VAL HB H 1 2.060 0.003 . 1 . . . . 38 VAL HB . 15708 2 246 . 1 1 38 38 VAL HG11 H 1 0.860 0.003 . 1 . . . . 38 VAL QG1 . 15708 2 247 . 1 1 38 38 VAL HG12 H 1 0.860 0.003 . 1 . . . . 38 VAL QG1 . 15708 2 248 . 1 1 38 38 VAL HG13 H 1 0.860 0.003 . 1 . . . . 38 VAL QG1 . 15708 2 249 . 1 1 38 38 VAL HG21 H 1 0.860 0.003 . 1 . . . . 38 VAL QG2 . 15708 2 250 . 1 1 38 38 VAL HG22 H 1 0.860 0.003 . 1 . . . . 38 VAL QG2 . 15708 2 251 . 1 1 38 38 VAL HG23 H 1 0.860 0.003 . 1 . . . . 38 VAL QG2 . 15708 2 252 . 1 1 39 39 ASP H H 1 8.273 0.001 . 1 . . . . 39 ASP H . 15708 2 253 . 1 1 39 39 ASP HA H 1 4.260 0.002 . 1 . . . . 39 ASP HA . 15708 2 254 . 1 1 39 39 ASP HB2 H 1 2.740 0.003 . 2 . . . . 39 ASP HB2 . 15708 2 255 . 1 1 39 39 ASP HB3 H 1 2.600 0.002 . 2 . . . . 39 ASP HB3 . 15708 2 256 . 1 1 40 40 VAL H H 1 7.940 1.274 . 1 . . . . 40 VAL H . 15708 2 257 . 1 1 40 40 VAL HA H 1 4.090 0.003 . 1 . . . . 40 VAL HA . 15708 2 258 . 1 1 40 40 VAL HB H 1 2.090 0.003 . 1 . . . . 40 VAL HB . 15708 2 259 . 1 1 40 40 VAL HG11 H 1 0.870 0.003 . 1 . . . . 40 VAL QG1 . 15708 2 260 . 1 1 40 40 VAL HG12 H 1 0.870 0.003 . 1 . . . . 40 VAL QG1 . 15708 2 261 . 1 1 40 40 VAL HG13 H 1 0.870 0.003 . 1 . . . . 40 VAL QG1 . 15708 2 262 . 1 1 40 40 VAL HG21 H 1 0.870 0.003 . 1 . . . . 40 VAL QG2 . 15708 2 263 . 1 1 40 40 VAL HG22 H 1 0.870 0.003 . 1 . . . . 40 VAL QG2 . 15708 2 264 . 1 1 40 40 VAL HG23 H 1 0.870 0.003 . 1 . . . . 40 VAL QG2 . 15708 2 265 . 1 1 41 41 MET H H 1 7.870 0.001 . 1 . . . . 41 MET H . 15708 2 266 . 1 1 41 41 MET HA H 1 4.260 0.003 . 1 . . . . 41 MET HA . 15708 2 267 . 1 1 41 41 MET HB2 H 1 1.943 0.003 . 1 . . . . 41 MET HB2 . 15708 2 268 . 1 1 41 41 MET HB3 H 1 1.943 0.003 . 1 . . . . 41 MET HB3 . 15708 2 269 . 1 1 41 41 MET HE1 H 1 2.040 0.003 . 1 . . . . 41 MET HE1 . 15708 2 270 . 1 1 41 41 MET HE2 H 1 2.040 0.003 . 1 . . . . 41 MET HE2 . 15708 2 271 . 1 1 41 41 MET HE3 H 1 2.040 0.003 . 1 . . . . 41 MET HE3 . 15708 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15708 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.5E06 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 2 '2D 1H-15N HSQC' . . . 15708 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $XEASY_CARA . . 15708 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 THR H H 1 . 1 1 3 3 THR N N 15 0.32 . . . . . . . . . . . 15708 1 2 . 1 1 4 4 SER H H 1 . 1 1 4 4 SER N N 15 0.42 . . . . . . . . . . . 15708 1 3 . 1 1 5 5 HIS H H 1 . 1 1 5 5 HIS N N 15 0.46 . . . . . . . . . . . 15708 1 4 . 1 1 6 6 LEU H H 1 . 1 1 6 6 LEU N N 15 0.34 . . . . . . . . . . . 15708 1 5 . 1 1 7 7 LEU H H 1 . 1 1 7 7 LEU N N 15 0.57 . . . . . . . . . . . 15708 1 6 . 1 1 8 8 ALA H H 1 . 1 1 8 8 ALA N N 15 0.53 . . . . . . . . . . . 15708 1 7 . 1 1 9 9 LEU H H 1 . 1 1 9 9 LEU N N 15 0.56 . . . . . . . . . . . 15708 1 8 . 1 1 10 10 LEU H H 1 . 1 1 10 10 LEU N N 15 0.52 . . . . . . . . . . . 15708 1 9 . 1 1 11 11 LEU H H 1 . 1 1 11 11 LEU N N 15 0.54 . . . . . . . . . . . 15708 1 10 . 1 1 13 13 LYS H H 1 . 1 1 13 13 LYS N N 15 0.37 . . . . . . . . . . . 15708 1 11 . 1 1 14 14 SER H H 1 . 1 1 14 14 SER N N 15 0.35 . . . . . . . . . . . 15708 1 12 . 1 1 16 16 GLN H H 1 . 1 1 16 16 GLN N N 15 0.24 . . . . . . . . . . . 15708 1 13 . 1 1 17 17 GLY H H 1 . 1 1 17 17 GLY N N 15 0.09 . . . . . . . . . . . 15708 1 14 . 1 1 18 18 GLU H H 1 . 1 1 18 18 GLU N N 15 0.17 . . . . . . . . . . . 15708 1 15 . 1 1 19 19 ASN H H 1 . 1 1 19 19 ASN N N 15 0.23 . . . . . . . . . . . 15708 1 16 . 1 1 20 20 ARG H H 1 . 1 1 20 20 ARG N N 15 0.20 . . . . . . . . . . . 15708 1 17 . 1 1 21 21 SER H H 1 . 1 1 21 21 SER N N 15 0.21 . . . . . . . . . . . 15708 1 18 . 1 1 22 22 LYS H H 1 . 1 1 22 22 LYS N N 15 0.30 . . . . . . . . . . . 15708 1 19 . 1 1 24 24 LEU H H 1 . 1 1 24 24 LEU N N 15 0.39 . . . . . . . . . . . 15708 1 20 . 1 1 25 25 GLY H H 1 . 1 1 25 25 GLY N N 15 0.23 . . . . . . . . . . . 15708 1 21 . 1 1 26 26 THR H H 1 . 1 1 26 26 THR N N 15 0.27 . . . . . . . . . . . 15708 1 22 . 1 1 28 28 TYR H H 1 . 1 1 28 28 TYR N N 15 0.43 . . . . . . . . . . . 15708 1 23 . 1 1 29 29 ASN H H 1 . 1 1 29 29 ASN N N 15 0.49 . . . . . . . . . . . 15708 1 24 . 1 1 30 30 PHE H H 1 . 1 1 30 30 PHE N N 15 0.40 . . . . . . . . . . . 15708 1 25 . 1 1 31 31 SER H H 1 . 1 1 31 31 SER N N 15 0.43 . . . . . . . . . . . 15708 1 26 . 1 1 32 32 GLU H H 1 . 1 1 32 32 GLU N N 15 0.45 . . . . . . . . . . . 15708 1 27 . 1 1 33 33 HIS H H 1 . 1 1 33 33 HIS N N 15 0.38 . . . . . . . . . . . 15708 1 28 . 1 1 34 34 CYS H H 1 . 1 1 34 34 CYS N N 15 0.49 . . . . . . . . . . . 15708 1 29 . 1 1 35 35 GLN H H 1 . 1 1 35 35 GLN N N 15 0.25 . . . . . . . . . . . 15708 1 30 . 1 1 36 36 ASP H H 1 . 1 1 36 36 ASP N N 15 0.24 . . . . . . . . . . . 15708 1 31 . 1 1 37 37 SER H H 1 . 1 1 37 37 SER N N 15 -0.55 . . . . . . . . . . . 15708 1 32 . 1 1 38 38 VAL H H 1 . 1 1 38 38 VAL N N 15 -0.21 . . . . . . . . . . . 15708 1 33 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 -0.50 . . . . . . . . . . . 15708 1 34 . 1 1 40 40 VAL H H 1 . 1 1 40 40 VAL N N 15 -1.10 . . . . . . . . . . . 15708 1 35 . 1 1 41 41 MET H H 1 . 1 1 41 41 MET N N 15 -1.85 . . . . . . . . . . . 15708 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 15708 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.5E06 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '2D 1H-15N HSQC' . . . 15708 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $XEASY_CARA . . 15708 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 ASN H H 1 . 1 1 2 2 ASN N N 15 0.55110346 . . . . . . . . . . . 15708 2 2 . 1 1 3 3 THR H H 1 . 1 1 3 3 THR N N 15 0.702714064 . . . . . . . . . . . 15708 2 3 . 1 1 7 7 LEU H H 1 . 1 1 7 7 LEU N N 15 0.641004627 . . . . . . . . . . . 15708 2 4 . 1 1 8 8 ALA H H 1 . 1 1 8 8 ALA N N 15 0.686119064 . . . . . . . . . . . 15708 2 5 . 1 1 9 9 LEU H H 1 . 1 1 9 9 LEU N N 15 0.680866232 . . . . . . . . . . . 15708 2 6 . 1 1 10 10 LEU H H 1 . 1 1 10 10 LEU N N 15 0.664131533 . . . . . . . . . . . 15708 2 7 . 1 1 11 11 LEU H H 1 . 1 1 11 11 LEU N N 15 0.586177385 . . . . . . . . . . . 15708 2 8 . 1 1 13 13 LYS H H 1 . 1 1 13 13 LYS N N 15 0.368008375 . . . . . . . . . . . 15708 2 9 . 1 1 14 14 SER H H 1 . 1 1 14 14 SER N N 15 0.205424128 . . . . . . . . . . . 15708 2 10 . 1 1 16 16 GLN H H 1 . 1 1 16 16 GLN N N 15 0.054965497 . . . . . . . . . . . 15708 2 11 . 1 1 17 17 GLY H H 1 . 1 1 17 17 GLY N N 15 -0.041129706 . . . . . . . . . . . 15708 2 12 . 1 1 18 18 GLU H H 1 . 1 1 18 18 GLU N N 15 0.130451926 . . . . . . . . . . . 15708 2 13 . 1 1 19 19 ASN H H 1 . 1 1 19 19 ASN N N 15 0.019307614 . . . . . . . . . . . 15708 2 14 . 1 1 20 20 ARG H H 1 . 1 1 20 20 ARG N N 15 -0.023314258 . . . . . . . . . . . 15708 2 15 . 1 1 21 21 SER H H 1 . 1 1 21 21 SER N N 15 0.047520225 . . . . . . . . . . . 15708 2 16 . 1 1 22 22 LYS H H 1 . 1 1 22 22 LYS N N 15 0.120649884 . . . . . . . . . . . 15708 2 17 . 1 1 24 24 LEU H H 1 . 1 1 24 24 LEU N N 15 0.061152718 . . . . . . . . . . . 15708 2 18 . 1 1 25 25 GLY H H 1 . 1 1 25 25 GLY N N 15 0.058780438 . . . . . . . . . . . 15708 2 19 . 1 1 26 26 THR H H 1 . 1 1 26 26 THR N N 15 0.298746515 . . . . . . . . . . . 15708 2 20 . 1 1 28 28 TYR H H 1 . 1 1 28 28 TYR N N 15 0.388070124 . . . . . . . . . . . 15708 2 21 . 1 1 29 29 ASN H H 1 . 1 1 29 29 ASN N N 15 0.42089403 . . . . . . . . . . . 15708 2 22 . 1 1 30 30 PHE H H 1 . 1 1 30 30 PHE N N 15 0.430495308 . . . . . . . . . . . 15708 2 23 . 1 1 31 31 SER H H 1 . 1 1 31 31 SER N N 15 0.45985418 . . . . . . . . . . . 15708 2 24 . 1 1 32 32 GLU H H 1 . 1 1 32 32 GLU N N 15 0.486145036 . . . . . . . . . . . 15708 2 25 . 1 1 33 33 HIS H H 1 . 1 1 33 33 HIS N N 15 0.520541339 . . . . . . . . . . . 15708 2 26 . 1 1 35 35 GLN H H 1 . 1 1 35 35 GLN N N 15 0.550335711 . . . . . . . . . . . 15708 2 27 . 1 1 36 36 ASP H H 1 . 1 1 36 36 ASP N N 15 0.308163752 . . . . . . . . . . . 15708 2 28 . 1 1 37 37 SER H H 1 . 1 1 37 37 SER N N 15 0.277946051 . . . . . . . . . . . 15708 2 29 . 1 1 38 38 VAL H H 1 . 1 1 38 38 VAL N N 15 -0.021194067 . . . . . . . . . . . 15708 2 30 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 -0.122818028 . . . . . . . . . . . 15708 2 31 . 1 1 40 40 VAL H H 1 . 1 1 40 40 VAL N N 15 -0.396764459 . . . . . . . . . . . 15708 2 32 . 1 1 41 41 MET H H 1 . 1 1 41 41 MET N N 15 -0.594392716 . . . . . . . . . . . 15708 2 stop_ save_