data_4355 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4355 _Entry.Title ; Backbone 1H, 13C, 15N Chemical Shift Assignments for the Asymmetric Strands of the Tetramerization Domain of the Mnt Repressor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-06-13 _Entry.Accession_date 1999-06-13 _Entry.Last_release_date 1999-10-07 _Entry.Original_release_date 1999-10-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; Two sets of resonances (A and B) are given, corresponding to the two asymmetric peptide chains in the structure of the homotetramer. ; _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 Irene Nooren . M.A. . 4355 2 Robert Kaptein . . . 4355 3 Robert Sauer . T. . 4355 4 Rolf Boelens . . . 4355 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4355 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 4355 '15N chemical shifts' 68 4355 '1H chemical shifts' 463 4355 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 1 . . 1999-10-07 1999-06-13 original author . 4355 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4355 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99356013 _Citation.DOI . _Citation.PubMed_ID 10426954 _Citation.Full_citation . _Citation.Title ; The Tetramerization Domain of the Mnt Repressor Consists of two Right-handed Coiled Coils ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue 8 _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 755 _Citation.Page_last 759 _Citation.Year 1999 _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 Irene Nooren . M.A. . 4355 1 2 Robert Kaptein . . . 4355 1 3 Robert Sauer . T. . 4355 1 4 Rolf Boelens . . . 4355 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID asymmetry 4355 1 'coiled coil' 4355 1 homotetramer 4355 1 'inter-subunit NOE' 4355 1 'isotope filter' 4355 1 oligomer 4355 1 'protein dynamics' 4355 1 'protein structure' 4355 1 'slow chemical exchange' 4355 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Mnt-C _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Mnt-C _Assembly.Entry_ID 4355 _Assembly.ID 1 _Assembly.Name 'tetramerization domain of the Mnt repressor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID tetramer 4355 1 stop_ 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 'Mnt-C subunit A' 1 $Mnt-C . . . native . . 1 . . 4355 1 2 'Mnt-C subunit B' 1 $Mnt-C . . . native . . 2 . . 4355 1 3 'Mnt-C subunit C' 1 $Mnt-C . . . native . . 1 . . 4355 1 4 'Mnt-C subunit D' 1 $Mnt-C . . . native . . 2 . . 4355 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1MNT . . . . . . 4355 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Mnt-C abbreviation 4355 1 'tetramerization domain of the Mnt repressor' system 4355 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcription regulatory protein' 4355 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mnt-C _Entity.Sf_category entity _Entity.Sf_framecode Mnt-C _Entity.Entry_ID 4355 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'homotetrameric peptide' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RNDAERLADEQSELVKKMVF DTLKDLYKKTTHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 4356 . "homotetrameric peptide" . . . . . 100.00 37 100.00 100.00 3.44e-16 . . . . 4355 1 2 no PDB 1MNT . "Solution Structure Of Dimeric Mnt Repressor (1-76)" . . . . . 67.57 76 100.00 100.00 2.00e-07 . . . . 4355 1 3 no PDB 1QEY . "Nmr Structure Determination Of The Tetramerization Domain Of The Mnt Repressor: An Asymmetric A-Helical Assembly In Slow Exchan" . . . . . 83.78 31 100.00 100.00 7.08e-12 . . . . 4355 1 4 no DBJ BAF80731 . "transcriptional repressor [Enterobacteria phage P22]" . . . . . 83.78 83 100.00 100.00 7.86e-12 . . . . 4355 1 5 no DBJ BAG12614 . "transcriptional repressor [Enterobacteria phage P22]" . . . . . 83.78 83 100.00 100.00 7.86e-12 . . . . 4355 1 6 no EMBL CAA25989 . "unnamed protein product [Enterobacteria phage P22]" . . . . . 83.78 83 100.00 100.00 7.86e-12 . . . . 4355 1 7 no GB AAF75057 . "regulatory protein [Enterobacteria phage P22]" . . . . . 83.78 83 100.00 100.00 7.86e-12 . . . . 4355 1 8 no GB AAM81380 . "Mnt protein [Salmonella phage P22-pbi]" . . . . . 83.78 83 100.00 100.00 7.86e-12 . . . . 4355 1 9 no GB ADM32399 . "Mnt [Enterobacteria phage Phi75]" . . . . . 83.78 83 100.00 100.00 7.86e-12 . . . . 4355 1 10 no GB ADW81950 . "Mnt [Enterobacteria phage Phi20]" . . . . . 83.78 83 100.00 100.00 7.86e-12 . . . . 4355 1 11 no GB AKJ74157 . "hypothetical protein SP34_3 [Salmonella phage 34]" . . . . . 81.08 113 100.00 100.00 1.27e-10 . . . . 4355 1 12 no REF NP_059641 . "Mnt [Enterobacteria phage P22]" . . . . . 83.78 83 100.00 100.00 7.86e-12 . . . . 4355 1 13 no REF WP_015975190 . "Mnt [Salmonella enterica]" . . . . . 83.78 83 100.00 100.00 7.86e-12 . . . . 4355 1 14 no SP P03049 . "RecName: Full=Regulatory protein mnt" . . . . . 83.78 83 100.00 100.00 7.86e-12 . . . . 4355 1 15 no TPG DAA00978 . "TPA_inf: transcriptional repressor [Enterobacteria phage P22]" . . . . . 83.78 83 100.00 100.00 7.86e-12 . . . . 4355 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homotetrameric peptide' common 4355 1 Mnt-C abbreviation 4355 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 52 ARG . 4355 1 2 53 ASN . 4355 1 3 54 ASP . 4355 1 4 55 ALA . 4355 1 5 56 GLU . 4355 1 6 57 ARG . 4355 1 7 58 LEU . 4355 1 8 59 ALA . 4355 1 9 60 ASP . 4355 1 10 61 GLU . 4355 1 11 62 GLN . 4355 1 12 63 SER . 4355 1 13 64 GLU . 4355 1 14 65 LEU . 4355 1 15 66 VAL . 4355 1 16 67 LYS . 4355 1 17 68 LYS . 4355 1 18 69 MET . 4355 1 19 70 VAL . 4355 1 20 71 PHE . 4355 1 21 72 ASP . 4355 1 22 73 THR . 4355 1 23 74 LEU . 4355 1 24 75 LYS . 4355 1 25 76 ASP . 4355 1 26 77 LEU . 4355 1 27 78 TYR . 4355 1 28 79 LYS . 4355 1 29 80 LYS . 4355 1 30 81 THR . 4355 1 31 82 THR . 4355 1 32 83 HIS . 4355 1 33 84 HIS . 4355 1 34 85 HIS . 4355 1 35 86 HIS . 4355 1 36 87 HIS . 4355 1 37 88 HIS . 4355 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 . ARG 1 1 4355 1 . ASN 2 2 4355 1 . ASP 3 3 4355 1 . ALA 4 4 4355 1 . GLU 5 5 4355 1 . ARG 6 6 4355 1 . LEU 7 7 4355 1 . ALA 8 8 4355 1 . ASP 9 9 4355 1 . GLU 10 10 4355 1 . GLN 11 11 4355 1 . SER 12 12 4355 1 . GLU 13 13 4355 1 . LEU 14 14 4355 1 . VAL 15 15 4355 1 . LYS 16 16 4355 1 . LYS 17 17 4355 1 . MET 18 18 4355 1 . VAL 19 19 4355 1 . PHE 20 20 4355 1 . ASP 21 21 4355 1 . THR 22 22 4355 1 . LEU 23 23 4355 1 . LYS 24 24 4355 1 . ASP 25 25 4355 1 . LEU 26 26 4355 1 . TYR 27 27 4355 1 . LYS 28 28 4355 1 . LYS 29 29 4355 1 . THR 30 30 4355 1 . THR 31 31 4355 1 . HIS 32 32 4355 1 . HIS 33 33 4355 1 . HIS 34 34 4355 1 . HIS 35 35 4355 1 . HIS 36 36 4355 1 . HIS 37 37 4355 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 4355 _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 $Mnt-C . 10754 . . 'Bacteriophage P22' 'Bacteriophage P22' . . Viruses . . 'Bacteriophage P22' . . . . . . . . . . . . . . . . . . . . . 4355 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 4355 _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 $Mnt-C . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli X90 . . . . . . . . . . . . . . . pTM203-st6 . . . . . . 4355 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_labelled _Sample.Sf_category sample _Sample.Sf_framecode 15N_labelled _Sample.Entry_ID 4355 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'homotetrameric peptide' '[U-95% 15N]' . . 1 $Mnt-C . . 3.0 . . mM . . . . 4355 1 stop_ save_ save_13C_15N_labelled _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_labelled _Sample.Entry_ID 4355 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'homotetrameric peptide' '[U-95% 13C; U-95% 15N]' . . 1 $Mnt-C . . 3.0 . . mM . . . . 4355 2 stop_ save_ save_10%_13C_labelled _Sample.Sf_category sample _Sample.Sf_framecode 10%_13C_labelled _Sample.Entry_ID 4355 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'homotetrameric peptide' '[U-10% 13C]' . . 1 $Mnt-C . . 3.0 . . mM . . . . 4355 3 stop_ save_ save_unlabelled_labelled_mixture _Sample.Sf_category sample _Sample.Sf_framecode unlabelled_labelled_mixture _Sample.Entry_ID 4355 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'homotetrameric peptide' '[50/50 U-95% 13C; U-95% 15N / unlabelled]' . . 1 $Mnt-C . . 3.0 . . mM . . . . 4355 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 4355 _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' 0.20 0.02 M 4355 1 pH 5.2 0.1 n/a 4355 1 temperature 298 1 K 4355 1 stop_ save_ ############################ # Computer software used # ############################ save_Regine _Software.Sf_category software _Software.Sf_framecode Regine _Software.Entry_ID 4355 _Software.ID 1 _Software.Name Regine _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID bookkeeping 4355 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4355 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMXT _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4355 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-Plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4355 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Bruker AMXT . 600 . . . 4355 1 2 NMR_spectrometer2 Varian Unity-Plus . 750 . . . 4355 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 4355 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 2 '2D (1H,1H) NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 3 '3D TOCSY (15N,1H) HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 4 '3D NOESY (15N,1H) HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 5 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 6 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 7 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 8 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 9 '3D HCACO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 10 '3D TOCSY (13C,1H) HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 11 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 12 '3D H(C)CH DISPSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 13 '3D HCC(H) DISPSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4355 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4355 _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 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4355 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4355 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4355 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_resonance_set_A _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode resonance_set_A _Assigned_chem_shift_list.Entry_ID 4355 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $15N_labelled . 4355 1 . . 2 $13C_15N_labelled . 4355 1 . . 3 $10%_13C_labelled . 4355 1 . . 4 $unlabelled_labelled_mixture . 4355 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 ARG CA C 13 53.4 . . . . . . . . . . . 4355 1 2 . 1 1 1 1 ARG HA H 1 4.13 . . . . . . . . . . . 4355 1 3 . 1 1 1 1 ARG CB C 13 29.4 . . . . . . . . . . . 4355 1 4 . 1 1 1 1 ARG HB2 H 1 1.94 . . . . . . . . . . . 4355 1 5 . 1 1 1 1 ARG HB3 H 1 1.94 . . . . . . . . . . . 4355 1 6 . 1 1 1 1 ARG CG C 13 24.5 . . . . . . . . . . . 4355 1 7 . 1 1 1 1 ARG HG2 H 1 1.71 . . . . . . . . . . . 4355 1 8 . 1 1 1 1 ARG HG3 H 1 1.71 . . . . . . . . . . . 4355 1 9 . 1 1 1 1 ARG CD C 13 41.8 . . . . . . . . . . . 4355 1 10 . 1 1 1 1 ARG HD2 H 1 3.18 . . . . . . . . . . . 4355 1 11 . 1 1 1 1 ARG HD3 H 1 3.18 . . . . . . . . . . . 4355 1 12 . 1 1 1 1 ARG NE N 15 84.9 . . . . . . . . . . . 4355 1 13 . 1 1 1 1 ARG HE H 1 7.51 . . . . . . . . . . . 4355 1 14 . 1 1 2 2 ASN N N 15 122.1 . . . . . . . . . . . 4355 1 15 . 1 1 2 2 ASN H H 1 8.60 . . . . . . . . . . . 4355 1 16 . 1 1 2 2 ASN C C 13 173.0 . . . . . . . . . . . 4355 1 17 . 1 1 2 2 ASN CA C 13 50.8 . . . . . . . . . . . 4355 1 18 . 1 1 2 2 ASN HA H 1 4.83 . . . . . . . . . . . 4355 1 19 . 1 1 2 2 ASN CB C 13 37.1 . . . . . . . . . . . 4355 1 20 . 1 1 2 2 ASN HB2 H 1 2.94 . . . . . . . . . . . 4355 1 21 . 1 1 2 2 ASN HB3 H 1 3.03 . . . . . . . . . . . 4355 1 22 . 1 1 2 2 ASN ND2 N 15 113.7 . . . . . . . . . . . 4355 1 23 . 1 1 2 2 ASN HD21 H 1 7.65 . . . . . . . . . . . 4355 1 24 . 1 1 2 2 ASN HD22 H 1 6.92 . . . . . . . . . . . 4355 1 25 . 1 1 3 3 ASP N N 15 122.1 . . . . . . . . . . . 4355 1 26 . 1 1 3 3 ASP H H 1 8.58 . . . . . . . . . . . 4355 1 27 . 1 1 3 3 ASP C C 13 173.0 . . . . . . . . . . . 4355 1 28 . 1 1 3 3 ASP CA C 13 54.7 . . . . . . . . . . . 4355 1 29 . 1 1 3 3 ASP HA H 1 4.41 . . . . . . . . . . . 4355 1 30 . 1 1 3 3 ASP CB C 13 38.9 . . . . . . . . . . . 4355 1 31 . 1 1 3 3 ASP HB2 H 1 2.65 . . . . . . . . . . . 4355 1 32 . 1 1 3 3 ASP HB3 H 1 2.65 . . . . . . . . . . . 4355 1 33 . 1 1 4 4 ALA N N 15 123.3 . . . . . . . . . . . 4355 1 34 . 1 1 4 4 ALA H H 1 8.24 . . . . . . . . . . . 4355 1 35 . 1 1 4 4 ALA C C 13 175.1 . . . . . . . . . . . 4355 1 36 . 1 1 4 4 ALA CA C 13 53.1 . . . . . . . . . . . 4355 1 37 . 1 1 4 4 ALA HA H 1 3.83 . . . . . . . . . . . 4355 1 38 . 1 1 4 4 ALA CB C 13 16.9 . . . . . . . . . . . 4355 1 39 . 1 1 4 4 ALA HB1 H 1 1.32 . . . . . . . . . . . 4355 1 40 . 1 1 4 4 ALA HB2 H 1 1.32 . . . . . . . . . . . 4355 1 41 . 1 1 4 4 ALA HB3 H 1 1.32 . . . . . . . . . . . 4355 1 42 . 1 1 5 5 GLU N N 15 117.7 . . . . . . . . . . . 4355 1 43 . 1 1 5 5 GLU H H 1 8.11 . . . . . . . . . . . 4355 1 44 . 1 1 5 5 GLU C C 13 177.2 . . . . . . . . . . . 4355 1 45 . 1 1 5 5 GLU CA C 13 57.7 . . . . . . . . . . . 4355 1 46 . 1 1 5 5 GLU HA H 1 3.88 . . . . . . . . . . . 4355 1 47 . 1 1 5 5 GLU CB C 13 27.9 . . . . . . . . . . . 4355 1 48 . 1 1 5 5 GLU HB2 H 1 2.18 . . . . . . . . . . . 4355 1 49 . 1 1 5 5 GLU HB3 H 1 2.18 . . . . . . . . . . . 4355 1 50 . 1 1 5 5 GLU CG C 13 35.4 . . . . . . . . . . . 4355 1 51 . 1 1 5 5 GLU HG2 H 1 2.31 . . . . . . . . . . . 4355 1 52 . 1 1 5 5 GLU HG3 H 1 2.47 . . . . . . . . . . . 4355 1 53 . 1 1 6 6 ARG N N 15 120.8 . . . . . . . . . . . 4355 1 54 . 1 1 6 6 ARG H H 1 8.05 . . . . . . . . . . . 4355 1 55 . 1 1 6 6 ARG C C 13 176.3 . . . . . . . . . . . 4355 1 56 . 1 1 6 6 ARG CA C 13 57.5 . . . . . . . . . . . 4355 1 57 . 1 1 6 6 ARG HA H 1 4.12 . . . . . . . . . . . 4355 1 58 . 1 1 6 6 ARG CB C 13 28.3 . . . . . . . . . . . 4355 1 59 . 1 1 6 6 ARG HB2 H 1 1.97 . . . . . . . . . . . 4355 1 60 . 1 1 6 6 ARG HB3 H 1 1.87 . . . . . . . . . . . 4355 1 61 . 1 1 6 6 ARG CG C 13 25.4 . . . . . . . . . . . 4355 1 62 . 1 1 6 6 ARG HG2 H 1 1.75 . . . . . . . . . . . 4355 1 63 . 1 1 6 6 ARG HG3 H 1 1.59 . . . . . . . . . . . 4355 1 64 . 1 1 6 6 ARG CD C 13 41.5 . . . . . . . . . . . 4355 1 65 . 1 1 6 6 ARG HD2 H 1 3.28 . . . . . . . . . . . 4355 1 66 . 1 1 6 6 ARG HD3 H 1 3.20 . . . . . . . . . . . 4355 1 67 . 1 1 6 6 ARG NE N 15 83.8 . . . . . . . . . . . 4355 1 68 . 1 1 6 6 ARG HE H 1 7.39 . . . . . . . . . . . 4355 1 69 . 1 1 7 7 LEU N N 15 121.3 . . . . . . . . . . . 4355 1 70 . 1 1 7 7 LEU H H 1 8.15 . . . . . . . . . . . 4355 1 71 . 1 1 7 7 LEU C C 13 176.8 . . . . . . . . . . . 4355 1 72 . 1 1 7 7 LEU CA C 13 55.8 . . . . . . . . . . . 4355 1 73 . 1 1 7 7 LEU HA H 1 4.14 . . . . . . . . . . . 4355 1 74 . 1 1 7 7 LEU CB C 13 39.7 . . . . . . . . . . . 4355 1 75 . 1 1 7 7 LEU HB2 H 1 1.54 . . . . . . . . . . . 4355 1 76 . 1 1 7 7 LEU HB3 H 1 1.54 . . . . . . . . . . . 4355 1 77 . 1 1 7 7 LEU CG C 13 25.1 . . . . . . . . . . . 4355 1 78 . 1 1 7 7 LEU HG H 1 1.57 . . . . . . . . . . . 4355 1 79 . 1 1 7 7 LEU CD1 C 13 22.3 . . . . . . . . . . . 4355 1 80 . 1 1 7 7 LEU CD2 C 13 22.3 . . . . . . . . . . . 4355 1 81 . 1 1 7 7 LEU HD11 H 1 0.73 . . . . . . . . . . . 4355 1 82 . 1 1 7 7 LEU HD12 H 1 0.73 . . . . . . . . . . . 4355 1 83 . 1 1 7 7 LEU HD13 H 1 0.73 . . . . . . . . . . . 4355 1 84 . 1 1 7 7 LEU HD21 H 1 0.64 . . . . . . . . . . . 4355 1 85 . 1 1 7 7 LEU HD22 H 1 0.64 . . . . . . . . . . . 4355 1 86 . 1 1 7 7 LEU HD23 H 1 0.64 . . . . . . . . . . . 4355 1 87 . 1 1 8 8 ALA N N 15 120.9 . . . . . . . . . . . 4355 1 88 . 1 1 8 8 ALA H H 1 8.39 . . . . . . . . . . . 4355 1 89 . 1 1 8 8 ALA C C 13 176.9 . . . . . . . . . . . 4355 1 90 . 1 1 8 8 ALA CA C 13 52.7 . . . . . . . . . . . 4355 1 91 . 1 1 8 8 ALA HA H 1 4.33 . . . . . . . . . . . 4355 1 92 . 1 1 8 8 ALA CB C 13 17.2 . . . . . . . . . . . 4355 1 93 . 1 1 8 8 ALA HB1 H 1 1.47 . . . . . . . . . . . 4355 1 94 . 1 1 8 8 ALA HB2 H 1 1.47 . . . . . . . . . . . 4355 1 95 . 1 1 8 8 ALA HB3 H 1 1.47 . . . . . . . . . . . 4355 1 96 . 1 1 9 9 ASP N N 15 122.4 . . . . . . . . . . . 4355 1 97 . 1 1 9 9 ASP H H 1 8.81 . . . . . . . . . . . 4355 1 98 . 1 1 9 9 ASP C C 13 179.2 . . . . . . . . . . . 4355 1 99 . 1 1 9 9 ASP CA C 13 56.0 . . . . . . . . . . . 4355 1 100 . 1 1 9 9 ASP HA H 1 4.28 . . . . . . . . . . . 4355 1 101 . 1 1 9 9 ASP CB C 13 40.0 . . . . . . . . . . . 4355 1 102 . 1 1 9 9 ASP HB2 H 1 3.02 . . . . . . . . . . . 4355 1 103 . 1 1 9 9 ASP HB3 H 1 2.96 . . . . . . . . . . . 4355 1 104 . 1 1 10 10 GLU N N 15 120.1 . . . . . . . . . . . 4355 1 105 . 1 1 10 10 GLU H H 1 8.45 . . . . . . . . . . . 4355 1 106 . 1 1 10 10 GLU C C 13 175.6 . . . . . . . . . . . 4355 1 107 . 1 1 10 10 GLU CA C 13 57.6 . . . . . . . . . . . 4355 1 108 . 1 1 10 10 GLU HA H 1 3.99 . . . . . . . . . . . 4355 1 109 . 1 1 10 10 GLU CB C 13 27.8 . . . . . . . . . . . 4355 1 110 . 1 1 10 10 GLU HB2 H 1 2.30 . . . . . . . . . . . 4355 1 111 . 1 1 10 10 GLU HB3 H 1 2.14 . . . . . . . . . . . 4355 1 112 . 1 1 10 10 GLU CG C 13 34.0 . . . . . . . . . . . 4355 1 113 . 1 1 10 10 GLU HG2 H 1 2.57 . . . . . . . . . . . 4355 1 114 . 1 1 10 10 GLU HG3 H 1 2.30 . . . . . . . . . . . 4355 1 115 . 1 1 11 11 GLN N N 15 117.6 . . . . . . . . . . . 4355 1 116 . 1 1 11 11 GLN H H 1 8.92 . . . . . . . . . . . 4355 1 117 . 1 1 11 11 GLN C C 13 178.3 . . . . . . . . . . . 4355 1 118 . 1 1 11 11 GLN CA C 13 56.7 . . . . . . . . . . . 4355 1 119 . 1 1 11 11 GLN HA H 1 4.16 . . . . . . . . . . . 4355 1 120 . 1 1 11 11 GLN CB C 13 34.1 . . . . . . . . . . . 4355 1 121 . 1 1 11 11 GLN HB2 H 1 2.25 . . . . . . . . . . . 4355 1 122 . 1 1 11 11 GLN HB3 H 1 2.02 . . . . . . . . . . . 4355 1 123 . 1 1 11 11 GLN CG C 13 32.8 . . . . . . . . . . . 4355 1 124 . 1 1 11 11 GLN HG2 H 1 2.50 . . . . . . . . . . . 4355 1 125 . 1 1 11 11 GLN HG3 H 1 2.68 . . . . . . . . . . . 4355 1 126 . 1 1 11 11 GLN NE2 N 15 111.5 . . . . . . . . . . . 4355 1 127 . 1 1 11 11 GLN HE21 H 1 6.62 . . . . . . . . . . . 4355 1 128 . 1 1 11 11 GLN HE22 H 1 7.44 . . . . . . . . . . . 4355 1 129 . 1 1 12 12 SER N N 15 115.1 . . . . . . . . . . . 4355 1 130 . 1 1 12 12 SER H H 1 8.41 . . . . . . . . . . . 4355 1 131 . 1 1 12 12 SER C C 13 177.5 . . . . . . . . . . . 4355 1 132 . 1 1 12 12 SER CA C 13 60.5 . . . . . . . . . . . 4355 1 133 . 1 1 12 12 SER HA H 1 4.06 . . . . . . . . . . . 4355 1 134 . 1 1 12 12 SER HB2 H 1 4.46 . . . . . . . . . . . 4355 1 135 . 1 1 12 12 SER HB3 H 1 4.11 . . . . . . . . . . . 4355 1 136 . 1 1 12 12 SER HG H 1 5.64 . . . . . . . . . . . 4355 1 137 . 1 1 13 13 GLU N N 15 126.3 . . . . . . . . . . . 4355 1 138 . 1 1 13 13 GLU H H 1 8.21 . . . . . . . . . . . 4355 1 139 . 1 1 13 13 GLU C C 13 174.6 . . . . . . . . . . . 4355 1 140 . 1 1 13 13 GLU CA C 13 56.6 . . . . . . . . . . . 4355 1 141 . 1 1 13 13 GLU HA H 1 4.13 . . . . . . . . . . . 4355 1 142 . 1 1 13 13 GLU CB C 13 27.9 . . . . . . . . . . . 4355 1 143 . 1 1 13 13 GLU HB2 H 1 2.11 . . . . . . . . . . . 4355 1 144 . 1 1 13 13 GLU HB3 H 1 2.10 . . . . . . . . . . . 4355 1 145 . 1 1 13 13 GLU CG C 13 32.7 . . . . . . . . . . . 4355 1 146 . 1 1 13 13 GLU HG2 H 1 2.29 . . . . . . . . . . . 4355 1 147 . 1 1 13 13 GLU HG3 H 1 2.40 . . . . . . . . . . . 4355 1 148 . 1 1 14 14 LEU N N 15 120.0 . . . . . . . . . . . 4355 1 149 . 1 1 14 14 LEU H H 1 7.36 . . . . . . . . . . . 4355 1 150 . 1 1 14 14 LEU C C 13 176.3 . . . . . . . . . . . 4355 1 151 . 1 1 14 14 LEU CA C 13 56.2 . . . . . . . . . . . 4355 1 152 . 1 1 14 14 LEU HA H 1 4.16 . . . . . . . . . . . 4355 1 153 . 1 1 14 14 LEU CB C 13 39.5 . . . . . . . . . . . 4355 1 154 . 1 1 14 14 LEU HB2 H 1 2.03 . . . . . . . . . . . 4355 1 155 . 1 1 14 14 LEU HB3 H 1 1.69 . . . . . . . . . . . 4355 1 156 . 1 1 14 14 LEU CG C 13 25.0 . . . . . . . . . . . 4355 1 157 . 1 1 14 14 LEU HG H 1 1.88 . . . . . . . . . . . 4355 1 158 . 1 1 14 14 LEU CD1 C 13 23.3 . . . . . . . . . . . 4355 1 159 . 1 1 14 14 LEU CD2 C 13 21.6 . . . . . . . . . . . 4355 1 160 . 1 1 14 14 LEU HD11 H 1 0.99 . . . . . . . . . . . 4355 1 161 . 1 1 14 14 LEU HD12 H 1 0.99 . . . . . . . . . . . 4355 1 162 . 1 1 14 14 LEU HD13 H 1 0.99 . . . . . . . . . . . 4355 1 163 . 1 1 14 14 LEU HD21 H 1 0.92 . . . . . . . . . . . 4355 1 164 . 1 1 14 14 LEU HD22 H 1 0.92 . . . . . . . . . . . 4355 1 165 . 1 1 14 14 LEU HD23 H 1 0.92 . . . . . . . . . . . 4355 1 166 . 1 1 15 15 VAL N N 15 119.5 . . . . . . . . . . . 4355 1 167 . 1 1 15 15 VAL H H 1 7.27 . . . . . . . . . . . 4355 1 168 . 1 1 15 15 VAL C C 13 178.4 . . . . . . . . . . . 4355 1 169 . 1 1 15 15 VAL CA C 13 64.5 . . . . . . . . . . . 4355 1 170 . 1 1 15 15 VAL HA H 1 3.67 . . . . . . . . . . . 4355 1 171 . 1 1 15 15 VAL CB C 13 29.6 . . . . . . . . . . . 4355 1 172 . 1 1 15 15 VAL HB H 1 2.12 . . . . . . . . . . . 4355 1 173 . 1 1 15 15 VAL CG1 C 13 19.9 . . . . . . . . . . . 4355 1 174 . 1 1 15 15 VAL CG2 C 13 21.0 . . . . . . . . . . . 4355 1 175 . 1 1 15 15 VAL HG11 H 1 0.89 . . . . . . . . . . . 4355 1 176 . 1 1 15 15 VAL HG12 H 1 0.89 . . . . . . . . . . . 4355 1 177 . 1 1 15 15 VAL HG13 H 1 0.89 . . . . . . . . . . . 4355 1 178 . 1 1 15 15 VAL HG21 H 1 0.99 . . . . . . . . . . . 4355 1 179 . 1 1 15 15 VAL HG22 H 1 0.99 . . . . . . . . . . . 4355 1 180 . 1 1 15 15 VAL HG23 H 1 0.99 . . . . . . . . . . . 4355 1 181 . 1 1 16 16 LYS N N 15 121.5 . . . . . . . . . . . 4355 1 182 . 1 1 16 16 LYS H H 1 8.41 . . . . . . . . . . . 4355 1 183 . 1 1 16 16 LYS C C 13 175.1 . . . . . . . . . . . 4355 1 184 . 1 1 16 16 LYS CA C 13 58.5 . . . . . . . . . . . 4355 1 185 . 1 1 16 16 LYS HA H 1 3.72 . . . . . . . . . . . 4355 1 186 . 1 1 16 16 LYS CB C 13 30.7 . . . . . . . . . . . 4355 1 187 . 1 1 16 16 LYS HB2 H 1 1.82 . . . . . . . . . . . 4355 1 188 . 1 1 16 16 LYS HB3 H 1 2.23 . . . . . . . . . . . 4355 1 189 . 1 1 16 16 LYS CG C 13 23.1 . . . . . . . . . . . 4355 1 190 . 1 1 16 16 LYS HG2 H 1 1.23 . . . . . . . . . . . 4355 1 191 . 1 1 16 16 LYS HG3 H 1 1.40 . . . . . . . . . . . 4355 1 192 . 1 1 16 16 LYS CD C 13 27.6 . . . . . . . . . . . 4355 1 193 . 1 1 16 16 LYS HD2 H 1 1.61 . . . . . . . . . . . 4355 1 194 . 1 1 16 16 LYS HD3 H 1 1.61 . . . . . . . . . . . 4355 1 195 . 1 1 16 16 LYS CE C 13 41.0 . . . . . . . . . . . 4355 1 196 . 1 1 16 16 LYS HE2 H 1 2.87 . . . . . . . . . . . 4355 1 197 . 1 1 16 16 LYS HE3 H 1 3.04 . . . . . . . . . . . 4355 1 198 . 1 1 17 17 LYS N N 15 118.8 . . . . . . . . . . . 4355 1 199 . 1 1 17 17 LYS H H 1 8.12 . . . . . . . . . . . 4355 1 200 . 1 1 17 17 LYS C C 13 175.7 . . . . . . . . . . . 4355 1 201 . 1 1 17 17 LYS CA C 13 57.6 . . . . . . . . . . . 4355 1 202 . 1 1 17 17 LYS HA H 1 4.14 . . . . . . . . . . . 4355 1 203 . 1 1 17 17 LYS CB C 13 30.7 . . . . . . . . . . . 4355 1 204 . 1 1 17 17 LYS HB2 H 1 1.98 . . . . . . . . . . . 4355 1 205 . 1 1 17 17 LYS HB3 H 1 1.98 . . . . . . . . . . . 4355 1 206 . 1 1 17 17 LYS CG C 13 23.4 . . . . . . . . . . . 4355 1 207 . 1 1 17 17 LYS HG2 H 1 1.67 . . . . . . . . . . . 4355 1 208 . 1 1 17 17 LYS HG3 H 1 1.48 . . . . . . . . . . . 4355 1 209 . 1 1 17 17 LYS CD C 13 27.2 . . . . . . . . . . . 4355 1 210 . 1 1 17 17 LYS HD2 H 1 1.81 . . . . . . . . . . . 4355 1 211 . 1 1 17 17 LYS HD3 H 1 1.68 . . . . . . . . . . . 4355 1 212 . 1 1 17 17 LYS CE C 13 40.6 . . . . . . . . . . . 4355 1 213 . 1 1 18 18 MET N N 15 118.6 . . . . . . . . . . . 4355 1 214 . 1 1 18 18 MET H H 1 7.55 . . . . . . . . . . . 4355 1 215 . 1 1 18 18 MET C C 13 175.7 . . . . . . . . . . . 4355 1 216 . 1 1 18 18 MET CA C 13 57.0 . . . . . . . . . . . 4355 1 217 . 1 1 18 18 MET HA H 1 4.28 . . . . . . . . . . . 4355 1 218 . 1 1 18 18 MET CB C 13 31.3 . . . . . . . . . . . 4355 1 219 . 1 1 18 18 MET HB2 H 1 2.27 . . . . . . . . . . . 4355 1 220 . 1 1 18 18 MET HB3 H 1 2.29 . . . . . . . . . . . 4355 1 221 . 1 1 18 18 MET CG C 13 29.8 . . . . . . . . . . . 4355 1 222 . 1 1 18 18 MET HG2 H 1 2.48 . . . . . . . . . . . 4355 1 223 . 1 1 18 18 MET HG3 H 1 2.80 . . . . . . . . . . . 4355 1 224 . 1 1 18 18 MET CE C 13 15.1 . . . . . . . . . . . 4355 1 225 . 1 1 18 18 MET HE1 H 1 2.06 . . . . . . . . . . . 4355 1 226 . 1 1 18 18 MET HE2 H 1 2.06 . . . . . . . . . . . 4355 1 227 . 1 1 18 18 MET HE3 H 1 2.06 . . . . . . . . . . . 4355 1 228 . 1 1 19 19 VAL N N 15 121.1 . . . . . . . . . . . 4355 1 229 . 1 1 19 19 VAL H H 1 8.69 . . . . . . . . . . . 4355 1 230 . 1 1 19 19 VAL C C 13 177.8 . . . . . . . . . . . 4355 1 231 . 1 1 19 19 VAL CA C 13 65.2 . . . . . . . . . . . 4355 1 232 . 1 1 19 19 VAL HA H 1 3.43 . . . . . . . . . . . 4355 1 233 . 1 1 19 19 VAL CB C 13 29.7 . . . . . . . . . . . 4355 1 234 . 1 1 19 19 VAL HB H 1 2.14 . . . . . . . . . . . 4355 1 235 . 1 1 19 19 VAL CG1 C 13 19.8 . . . . . . . . . . . 4355 1 236 . 1 1 19 19 VAL CG2 C 13 22.1 . . . . . . . . . . . 4355 1 237 . 1 1 19 19 VAL HG11 H 1 0.84 . . . . . . . . . . . 4355 1 238 . 1 1 19 19 VAL HG12 H 1 0.84 . . . . . . . . . . . 4355 1 239 . 1 1 19 19 VAL HG13 H 1 0.84 . . . . . . . . . . . 4355 1 240 . 1 1 19 19 VAL HG21 H 1 1.00 . . . . . . . . . . . 4355 1 241 . 1 1 19 19 VAL HG22 H 1 1.00 . . . . . . . . . . . 4355 1 242 . 1 1 19 19 VAL HG23 H 1 1.00 . . . . . . . . . . . 4355 1 243 . 1 1 20 20 PHE N N 15 123.0 . . . . . . . . . . . 4355 1 244 . 1 1 20 20 PHE H H 1 9.48 . . . . . . . . . . . 4355 1 245 . 1 1 20 20 PHE C C 13 174.6 . . . . . . . . . . . 4355 1 246 . 1 1 20 20 PHE CA C 13 60.1 . . . . . . . . . . . 4355 1 247 . 1 1 20 20 PHE HA H 1 4.03 . . . . . . . . . . . 4355 1 248 . 1 1 20 20 PHE CB C 13 37.3 . . . . . . . . . . . 4355 1 249 . 1 1 20 20 PHE HB2 H 1 3.21 . . . . . . . . . . . 4355 1 250 . 1 1 20 20 PHE HB3 H 1 3.43 . . . . . . . . . . . 4355 1 251 . 1 1 20 20 PHE HD1 H 1 7.20 . . . . . . . . . . . 4355 1 252 . 1 1 20 20 PHE HE1 H 1 7.45 . . . . . . . . . . . 4355 1 253 . 1 1 20 20 PHE HZ H 1 7.33 . . . . . . . . . . . 4355 1 254 . 1 1 21 21 ASP N N 15 118.6 . . . . . . . . . . . 4355 1 255 . 1 1 21 21 ASP H H 1 8.53 . . . . . . . . . . . 4355 1 256 . 1 1 21 21 ASP C C 13 174.3 . . . . . . . . . . . 4355 1 257 . 1 1 21 21 ASP CA C 13 55.5 . . . . . . . . . . . 4355 1 258 . 1 1 21 21 ASP HA H 1 4.02 . . . . . . . . . . . 4355 1 259 . 1 1 21 21 ASP CB C 13 38.1 . . . . . . . . . . . 4355 1 260 . 1 1 21 21 ASP HB2 H 1 2.79 . . . . . . . . . . . 4355 1 261 . 1 1 21 21 ASP HB3 H 1 2.64 . . . . . . . . . . . 4355 1 262 . 1 1 22 22 THR N N 15 116.3 . . . . . . . . . . . 4355 1 263 . 1 1 22 22 THR H H 1 7.60 . . . . . . . . . . . 4355 1 264 . 1 1 22 22 THR C C 13 177.0 . . . . . . . . . . . 4355 1 265 . 1 1 22 22 THR CA C 13 64.7 . . . . . . . . . . . 4355 1 266 . 1 1 22 22 THR HA H 1 3.91 . . . . . . . . . . . 4355 1 267 . 1 1 22 22 THR CB C 13 67.0 . . . . . . . . . . . 4355 1 268 . 1 1 22 22 THR HB H 1 4.12 . . . . . . . . . . . 4355 1 269 . 1 1 22 22 THR CG2 C 13 19.4 . . . . . . . . . . . 4355 1 270 . 1 1 22 22 THR HG21 H 1 1.17 . . . . . . . . . . . 4355 1 271 . 1 1 22 22 THR HG22 H 1 1.17 . . . . . . . . . . . 4355 1 272 . 1 1 22 22 THR HG23 H 1 1.17 . . . . . . . . . . . 4355 1 273 . 1 1 23 23 LEU N N 15 121.7 . . . . . . . . . . . 4355 1 274 . 1 1 23 23 LEU H H 1 8.79 . . . . . . . . . . . 4355 1 275 . 1 1 23 23 LEU C C 13 174.6 . . . . . . . . . . . 4355 1 276 . 1 1 23 23 LEU CA C 13 55.3 . . . . . . . . . . . 4355 1 277 . 1 1 23 23 LEU HA H 1 3.50 . . . . . . . . . . . 4355 1 278 . 1 1 23 23 LEU CB C 13 38.5 . . . . . . . . . . . 4355 1 279 . 1 1 23 23 LEU HB2 H 1 1.61 . . . . . . . . . . . 4355 1 280 . 1 1 23 23 LEU HB3 H 1 1.61 . . . . . . . . . . . 4355 1 281 . 1 1 23 23 LEU CG C 13 24.5 . . . . . . . . . . . 4355 1 282 . 1 1 23 23 LEU HG H 1 1.86 . . . . . . . . . . . 4355 1 283 . 1 1 23 23 LEU CD1 C 13 24.1 . . . . . . . . . . . 4355 1 284 . 1 1 23 23 LEU CD2 C 13 20.6 . . . . . . . . . . . 4355 1 285 . 1 1 23 23 LEU HD11 H 1 0.91 . . . . . . . . . . . 4355 1 286 . 1 1 23 23 LEU HD12 H 1 0.91 . . . . . . . . . . . 4355 1 287 . 1 1 23 23 LEU HD13 H 1 0.91 . . . . . . . . . . . 4355 1 288 . 1 1 23 23 LEU HD21 H 1 0.63 . . . . . . . . . . . 4355 1 289 . 1 1 23 23 LEU HD22 H 1 0.63 . . . . . . . . . . . 4355 1 290 . 1 1 23 23 LEU HD23 H 1 0.63 . . . . . . . . . . . 4355 1 291 . 1 1 24 24 LYS N N 15 120.2 . . . . . . . . . . . 4355 1 292 . 1 1 24 24 LYS H H 1 8.68 . . . . . . . . . . . 4355 1 293 . 1 1 24 24 LYS C C 13 175.3 . . . . . . . . . . . 4355 1 294 . 1 1 24 24 LYS CA C 13 58.1 . . . . . . . . . . . 4355 1 295 . 1 1 24 24 LYS HA H 1 3.50 . . . . . . . . . . . 4355 1 296 . 1 1 24 24 LYS CB C 13 28.9 . . . . . . . . . . . 4355 1 297 . 1 1 24 24 LYS HB2 H 1 1.14 . . . . . . . . . . . 4355 1 298 . 1 1 24 24 LYS HB3 H 1 1.25 . . . . . . . . . . . 4355 1 299 . 1 1 24 24 LYS CG C 13 22.8 . . . . . . . . . . . 4355 1 300 . 1 1 24 24 LYS HG2 H 1 1.03 . . . . . . . . . . . 4355 1 301 . 1 1 24 24 LYS HG3 H 1 1.23 . . . . . . . . . . . 4355 1 302 . 1 1 24 24 LYS CD C 13 27.9 . . . . . . . . . . . 4355 1 303 . 1 1 24 24 LYS HD2 H 1 1.30 . . . . . . . . . . . 4355 1 304 . 1 1 24 24 LYS HD3 H 1 1.47 . . . . . . . . . . . 4355 1 305 . 1 1 24 24 LYS CE C 13 40.0 . . . . . . . . . . . 4355 1 306 . 1 1 24 24 LYS HE2 H 1 2.82 . . . . . . . . . . . 4355 1 307 . 1 1 24 24 LYS HE3 H 1 2.76 . . . . . . . . . . . 4355 1 308 . 1 1 25 25 ASP N N 15 117.4 . . . . . . . . . . . 4355 1 309 . 1 1 25 25 ASP H H 1 6.74 . . . . . . . . . . . 4355 1 310 . 1 1 25 25 ASP C C 13 175.5 . . . . . . . . . . . 4355 1 311 . 1 1 25 25 ASP CA C 13 54.8 . . . . . . . . . . . 4355 1 312 . 1 1 25 25 ASP HA H 1 4.37 . . . . . . . . . . . 4355 1 313 . 1 1 25 25 ASP CB C 13 39.4 . . . . . . . . . . . 4355 1 314 . 1 1 25 25 ASP HB2 H 1 2.61 . . . . . . . . . . . 4355 1 315 . 1 1 25 25 ASP HB3 H 1 2.64 . . . . . . . . . . . 4355 1 316 . 1 1 26 26 LEU N N 15 120.5 . . . . . . . . . . . 4355 1 317 . 1 1 26 26 LEU H H 1 7.53 . . . . . . . . . . . 4355 1 318 . 1 1 26 26 LEU C C 13 175.7 . . . . . . . . . . . 4355 1 319 . 1 1 26 26 LEU CA C 13 55.5 . . . . . . . . . . . 4355 1 320 . 1 1 26 26 LEU HA H 1 4.07 . . . . . . . . . . . 4355 1 321 . 1 1 26 26 LEU CB C 13 41.0 . . . . . . . . . . . 4355 1 322 . 1 1 26 26 LEU HB2 H 1 1.42 . . . . . . . . . . . 4355 1 323 . 1 1 26 26 LEU HB3 H 1 1.49 . . . . . . . . . . . 4355 1 324 . 1 1 26 26 LEU CG C 13 25.1 . . . . . . . . . . . 4355 1 325 . 1 1 26 26 LEU HG H 1 1.52 . . . . . . . . . . . 4355 1 326 . 1 1 26 26 LEU CD1 C 13 21.9 . . . . . . . . . . . 4355 1 327 . 1 1 26 26 LEU CD2 C 13 23.6 . . . . . . . . . . . 4355 1 328 . 1 1 26 26 LEU HD11 H 1 0.84 . . . . . . . . . . . 4355 1 329 . 1 1 26 26 LEU HD12 H 1 0.84 . . . . . . . . . . . 4355 1 330 . 1 1 26 26 LEU HD13 H 1 0.84 . . . . . . . . . . . 4355 1 331 . 1 1 26 26 LEU HD21 H 1 0.73 . . . . . . . . . . . 4355 1 332 . 1 1 26 26 LEU HD22 H 1 0.73 . . . . . . . . . . . 4355 1 333 . 1 1 26 26 LEU HD23 H 1 0.73 . . . . . . . . . . . 4355 1 334 . 1 1 27 27 TYR N N 15 117.9 . . . . . . . . . . . 4355 1 335 . 1 1 27 27 TYR H H 1 8.90 . . . . . . . . . . . 4355 1 336 . 1 1 27 27 TYR C C 13 177.8 . . . . . . . . . . . 4355 1 337 . 1 1 27 27 TYR CA C 13 54.4 . . . . . . . . . . . 4355 1 338 . 1 1 27 27 TYR HA H 1 4.55 . . . . . . . . . . . 4355 1 339 . 1 1 27 27 TYR HB2 H 1 2.96 . . . . . . . . . . . 4355 1 340 . 1 1 27 27 TYR HB3 H 1 3.00 . . . . . . . . . . . 4355 1 341 . 1 1 27 27 TYR HD1 H 1 6.75 . . . . . . . . . . . 4355 1 342 . 1 1 27 27 TYR HE1 H 1 6.44 . . . . . . . . . . . 4355 1 343 . 1 1 27 27 TYR HH H 1 10.43 . . . . . . . . . . . 4355 1 344 . 1 1 28 28 LYS N N 15 122.0 . . . . . . . . . . . 4355 1 345 . 1 1 28 28 LYS H H 1 8.02 . . . . . . . . . . . 4355 1 346 . 1 1 28 28 LYS C C 13 176.6 . . . . . . . . . . . 4355 1 347 . 1 1 28 28 LYS CA C 13 57.0 . . . . . . . . . . . 4355 1 348 . 1 1 28 28 LYS HA H 1 4.09 . . . . . . . . . . . 4355 1 349 . 1 1 28 28 LYS CB C 13 30.7 . . . . . . . . . . . 4355 1 350 . 1 1 28 28 LYS HB2 H 1 1.92 . . . . . . . . . . . 4355 1 351 . 1 1 28 28 LYS HB3 H 1 1.92 . . . . . . . . . . . 4355 1 352 . 1 1 28 28 LYS CG C 13 23.7 . . . . . . . . . . . 4355 1 353 . 1 1 28 28 LYS HG2 H 1 1.57 . . . . . . . . . . . 4355 1 354 . 1 1 28 28 LYS HG3 H 1 1.46 . . . . . . . . . . . 4355 1 355 . 1 1 28 28 LYS CD C 13 27.8 . . . . . . . . . . . 4355 1 356 . 1 1 28 28 LYS HD2 H 1 1.68 . . . . . . . . . . . 4355 1 357 . 1 1 28 28 LYS HD3 H 1 1.68 . . . . . . . . . . . 4355 1 358 . 1 1 28 28 LYS CE C 13 40.2 . . . . . . . . . . . 4355 1 359 . 1 1 28 28 LYS HE2 H 1 2.97 . . . . . . . . . . . 4355 1 360 . 1 1 28 28 LYS HE3 H 1 2.97 . . . . . . . . . . . 4355 1 361 . 1 1 29 29 LYS N N 15 120.1 . . . . . . . . . . . 4355 1 362 . 1 1 29 29 LYS H H 1 7.88 . . . . . . . . . . . 4355 1 363 . 1 1 29 29 LYS C C 13 176.1 . . . . . . . . . . . 4355 1 364 . 1 1 29 29 LYS CA C 13 56.3 . . . . . . . . . . . 4355 1 365 . 1 1 29 29 LYS HA H 1 4.19 . . . . . . . . . . . 4355 1 366 . 1 1 29 29 LYS CB C 13 30.8 . . . . . . . . . . . 4355 1 367 . 1 1 29 29 LYS HB2 H 1 1.96 . . . . . . . . . . . 4355 1 368 . 1 1 29 29 LYS HB3 H 1 1.96 . . . . . . . . . . . 4355 1 369 . 1 1 29 29 LYS CG C 13 23.4 . . . . . . . . . . . 4355 1 370 . 1 1 29 29 LYS HG2 H 1 1.48 . . . . . . . . . . . 4355 1 371 . 1 1 29 29 LYS HG3 H 1 1.60 . . . . . . . . . . . 4355 1 372 . 1 1 29 29 LYS CD C 13 27.6 . . . . . . . . . . . 4355 1 373 . 1 1 29 29 LYS HD2 H 1 1.71 . . . . . . . . . . . 4355 1 374 . 1 1 29 29 LYS HD3 H 1 1.67 . . . . . . . . . . . 4355 1 375 . 1 1 29 29 LYS CE C 13 40.4 . . . . . . . . . . . 4355 1 376 . 1 1 29 29 LYS HE2 H 1 2.97 . . . . . . . . . . . 4355 1 377 . 1 1 29 29 LYS HE3 H 1 2.97 . . . . . . . . . . . 4355 1 378 . 1 1 30 30 THR N N 15 113.3 . . . . . . . . . . . 4355 1 379 . 1 1 30 30 THR H H 1 7.78 . . . . . . . . . . . 4355 1 380 . 1 1 30 30 THR C C 13 176.0 . . . . . . . . . . . 4355 1 381 . 1 1 30 30 THR CA C 13 61.9 . . . . . . . . . . . 4355 1 382 . 1 1 30 30 THR HA H 1 4.23 . . . . . . . . . . . 4355 1 383 . 1 1 30 30 THR CB C 13 67.4 . . . . . . . . . . . 4355 1 384 . 1 1 30 30 THR HB H 1 4.11 . . . . . . . . . . . 4355 1 385 . 1 1 30 30 THR CG2 C 13 20.0 . . . . . . . . . . . 4355 1 386 . 1 1 30 30 THR HG21 H 1 1.11 . . . . . . . . . . . 4355 1 387 . 1 1 30 30 THR HG22 H 1 1.11 . . . . . . . . . . . 4355 1 388 . 1 1 30 30 THR HG23 H 1 1.11 . . . . . . . . . . . 4355 1 389 . 1 1 31 31 THR N N 15 113.7 . . . . . . . . . . . 4355 1 390 . 1 1 31 31 THR H H 1 7.69 . . . . . . . . . . . 4355 1 391 . 1 1 31 31 THR C C 13 173.0 . . . . . . . . . . . 4355 1 392 . 1 1 31 31 THR CA C 13 60.2 . . . . . . . . . . . 4355 1 393 . 1 1 31 31 THR HA H 1 4.29 . . . . . . . . . . . 4355 1 394 . 1 1 31 31 THR CB C 13 67.7 . . . . . . . . . . . 4355 1 395 . 1 1 31 31 THR HB H 1 4.23 . . . . . . . . . . . 4355 1 396 . 1 1 31 31 THR CG2 C 13 20.1 . . . . . . . . . . . 4355 1 397 . 1 1 31 31 THR HG21 H 1 1.18 . . . . . . . . . . . 4355 1 398 . 1 1 31 31 THR HG22 H 1 1.18 . . . . . . . . . . . 4355 1 399 . 1 1 31 31 THR HG23 H 1 1.18 . . . . . . . . . . . 4355 1 stop_ save_ save_resonance_set_B _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode resonance_set_B _Assigned_chem_shift_list.Entry_ID 4355 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $15N_labelled . 4355 2 . . 2 $13C_15N_labelled . 4355 2 . . 3 $10%_13C_labelled . 4355 2 . . 4 $unlabelled_labelled_mixture . 4355 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 . 2 1 1 1 ARG CA C 13 53.4 . . . . . . . . . . . 4355 2 2 . 2 1 1 1 ARG HA H 1 4.13 . . . . . . . . . . . 4355 2 3 . 2 1 1 1 ARG CB C 13 29.4 . . . . . . . . . . . 4355 2 4 . 2 1 1 1 ARG HB2 H 1 1.94 . . . . . . . . . . . 4355 2 5 . 2 1 1 1 ARG HB3 H 1 1.94 . . . . . . . . . . . 4355 2 6 . 2 1 1 1 ARG CG C 13 24.5 . . . . . . . . . . . 4355 2 7 . 2 1 1 1 ARG HG2 H 1 1.72 . . . . . . . . . . . 4355 2 8 . 2 1 1 1 ARG HG3 H 1 1.72 . . . . . . . . . . . 4355 2 9 . 2 1 1 1 ARG CD C 13 41.8 . . . . . . . . . . . 4355 2 10 . 2 1 1 1 ARG HD2 H 1 3.19 . . . . . . . . . . . 4355 2 11 . 2 1 1 1 ARG HD3 H 1 3.19 . . . . . . . . . . . 4355 2 12 . 2 1 1 1 ARG NE N 15 84.9 . . . . . . . . . . . 4355 2 13 . 2 1 1 1 ARG HE H 1 7.53 . . . . . . . . . . . 4355 2 14 . 2 1 2 2 ASN N N 15 122.1 . . . . . . . . . . . 4355 2 15 . 2 1 2 2 ASN H H 1 8.59 . . . . . . . . . . . 4355 2 16 . 2 1 2 2 ASN C C 13 173.0 . . . . . . . . . . . 4355 2 17 . 2 1 2 2 ASN CA C 13 50.8 . . . . . . . . . . . 4355 2 18 . 2 1 2 2 ASN HA H 1 4.83 . . . . . . . . . . . 4355 2 19 . 2 1 2 2 ASN CB C 13 37.1 . . . . . . . . . . . 4355 2 20 . 2 1 2 2 ASN HB2 H 1 2.93 . . . . . . . . . . . 4355 2 21 . 2 1 2 2 ASN HB3 H 1 3.03 . . . . . . . . . . . 4355 2 22 . 2 1 2 2 ASN HD21 H 1 7.70 . . . . . . . . . . . 4355 2 23 . 2 1 2 2 ASN HD22 H 1 6.90 . . . . . . . . . . . 4355 2 24 . 2 1 2 2 ASN ND2 N 15 113.4 . . . . . . . . . . . 4355 2 25 . 2 1 3 3 ASP N N 15 122.1 . . . . . . . . . . . 4355 2 26 . 2 1 3 3 ASP H H 1 8.60 . . . . . . . . . . . 4355 2 27 . 2 1 3 3 ASP C C 13 173.0 . . . . . . . . . . . 4355 2 28 . 2 1 3 3 ASP CA C 13 55.1 . . . . . . . . . . . 4355 2 29 . 2 1 3 3 ASP HA H 1 4.42 . . . . . . . . . . . 4355 2 30 . 2 1 3 3 ASP CB C 13 38.9 . . . . . . . . . . . 4355 2 31 . 2 1 3 3 ASP HB2 H 1 2.62 . . . . . . . . . . . 4355 2 32 . 2 1 3 3 ASP HB3 H 1 2.62 . . . . . . . . . . . 4355 2 33 . 2 1 4 4 ALA N N 15 122.4 . . . . . . . . . . . 4355 2 34 . 2 1 4 4 ALA H H 1 8.33 . . . . . . . . . . . 4355 2 35 . 2 1 4 4 ALA C C 13 175.0 . . . . . . . . . . . 4355 2 36 . 2 1 4 4 ALA CA C 13 53.7 . . . . . . . . . . . 4355 2 37 . 2 1 4 4 ALA HA H 1 3.97 . . . . . . . . . . . 4355 2 38 . 2 1 4 4 ALA CB C 13 17.0 . . . . . . . . . . . 4355 2 39 . 2 1 4 4 ALA HB1 H 1 1.44 . . . . . . . . . . . 4355 2 40 . 2 1 4 4 ALA HB2 H 1 1.44 . . . . . . . . . . . 4355 2 41 . 2 1 4 4 ALA HB3 H 1 1.44 . . . . . . . . . . . 4355 2 42 . 2 1 5 5 GLU N N 15 116.6 . . . . . . . . . . . 4355 2 43 . 2 1 5 5 GLU H H 1 8.13 . . . . . . . . . . . 4355 2 44 . 2 1 5 5 GLU C C 13 176.9 . . . . . . . . . . . 4355 2 45 . 2 1 5 5 GLU CA C 13 58.0 . . . . . . . . . . . 4355 2 46 . 2 1 5 5 GLU HA H 1 3.86 . . . . . . . . . . . 4355 2 47 . 2 1 5 5 GLU CB C 13 27.9 . . . . . . . . . . . 4355 2 48 . 2 1 5 5 GLU HB2 H 1 2.18 . . . . . . . . . . . 4355 2 49 . 2 1 5 5 GLU HB3 H 1 2.18 . . . . . . . . . . . 4355 2 50 . 2 1 5 5 GLU CG C 13 35.7 . . . . . . . . . . . 4355 2 51 . 2 1 5 5 GLU HG2 H 1 2.36 . . . . . . . . . . . 4355 2 52 . 2 1 5 5 GLU HG3 H 1 2.45 . . . . . . . . . . . 4355 2 53 . 2 1 6 6 ARG N N 15 121.0 . . . . . . . . . . . 4355 2 54 . 2 1 6 6 ARG H H 1 8.15 . . . . . . . . . . . 4355 2 55 . 2 1 6 6 ARG C C 13 176.1 . . . . . . . . . . . 4355 2 56 . 2 1 6 6 ARG CA C 13 57.7 . . . . . . . . . . . 4355 2 57 . 2 1 6 6 ARG HA H 1 4.13 . . . . . . . . . . . 4355 2 58 . 2 1 6 6 ARG CB C 13 28.3 . . . . . . . . . . . 4355 2 59 . 2 1 6 6 ARG HB2 H 1 2.02 . . . . . . . . . . . 4355 2 60 . 2 1 6 6 ARG HB3 H 1 1.85 . . . . . . . . . . . 4355 2 61 . 2 1 6 6 ARG CG C 13 25.4 . . . . . . . . . . . 4355 2 62 . 2 1 6 6 ARG HG2 H 1 1.74 . . . . . . . . . . . 4355 2 63 . 2 1 6 6 ARG HG3 H 1 1.59 . . . . . . . . . . . 4355 2 64 . 2 1 6 6 ARG CD C 13 41.4 . . . . . . . . . . . 4355 2 65 . 2 1 6 6 ARG HD2 H 1 3.31 . . . . . . . . . . . 4355 2 66 . 2 1 6 6 ARG HD3 H 1 3.19 . . . . . . . . . . . 4355 2 67 . 2 1 6 6 ARG NE N 15 107.7 . . . . . . . . . . . 4355 2 68 . 2 1 6 6 ARG HE H 1 7.41 . . . . . . . . . . . 4355 2 69 . 2 1 7 7 LEU N N 15 120.7 . . . . . . . . . . . 4355 2 70 . 2 1 7 7 LEU H H 1 8.44 . . . . . . . . . . . 4355 2 71 . 2 1 7 7 LEU C C 13 176.7 . . . . . . . . . . . 4355 2 72 . 2 1 7 7 LEU CA C 13 55.8 . . . . . . . . . . . 4355 2 73 . 2 1 7 7 LEU HA H 1 4.11 . . . . . . . . . . . 4355 2 74 . 2 1 7 7 LEU CB C 13 41.3 . . . . . . . . . . . 4355 2 75 . 2 1 7 7 LEU HB2 H 1 1.85 . . . . . . . . . . . 4355 2 76 . 2 1 7 7 LEU HB3 H 1 1.38 . . . . . . . . . . . 4355 2 77 . 2 1 7 7 LEU CG C 13 25.4 . . . . . . . . . . . 4355 2 78 . 2 1 7 7 LEU HG H 1 1.62 . . . . . . . . . . . 4355 2 79 . 2 1 7 7 LEU CD1 C 13 22.9 . . . . . . . . . . . 4355 2 80 . 2 1 7 7 LEU CD2 C 13 21.7 . . . . . . . . . . . 4355 2 81 . 2 1 7 7 LEU HD11 H 1 0.56 . . . . . . . . . . . 4355 2 82 . 2 1 7 7 LEU HD12 H 1 0.56 . . . . . . . . . . . 4355 2 83 . 2 1 7 7 LEU HD13 H 1 0.56 . . . . . . . . . . . 4355 2 84 . 2 1 7 7 LEU HD21 H 1 0.73 . . . . . . . . . . . 4355 2 85 . 2 1 7 7 LEU HD22 H 1 0.73 . . . . . . . . . . . 4355 2 86 . 2 1 7 7 LEU HD23 H 1 0.73 . . . . . . . . . . . 4355 2 87 . 2 1 8 8 ALA N N 15 120.1 . . . . . . . . . . . 4355 2 88 . 2 1 8 8 ALA H H 1 8.19 . . . . . . . . . . . 4355 2 89 . 2 1 8 8 ALA C C 13 176.9 . . . . . . . . . . . 4355 2 90 . 2 1 8 8 ALA CA C 13 53.3 . . . . . . . . . . . 4355 2 91 . 2 1 8 8 ALA HA H 1 4.11 . . . . . . . . . . . 4355 2 92 . 2 1 8 8 ALA CB C 13 17.4 . . . . . . . . . . . 4355 2 93 . 2 1 8 8 ALA HB1 H 1 1.39 . . . . . . . . . . . 4355 2 94 . 2 1 8 8 ALA HB2 H 1 1.39 . . . . . . . . . . . 4355 2 95 . 2 1 8 8 ALA HB3 H 1 1.39 . . . . . . . . . . . 4355 2 96 . 2 1 9 9 ASP N N 15 121.5 . . . . . . . . . . . 4355 2 97 . 2 1 9 9 ASP H H 1 8.92 . . . . . . . . . . . 4355 2 98 . 2 1 9 9 ASP C C 13 178.6 . . . . . . . . . . . 4355 2 99 . 2 1 9 9 ASP CA C 13 55.9 . . . . . . . . . . . 4355 2 100 . 2 1 9 9 ASP HA H 1 4.40 . . . . . . . . . . . 4355 2 101 . 2 1 9 9 ASP CB C 13 40.0 . . . . . . . . . . . 4355 2 102 . 2 1 9 9 ASP HB2 H 1 3.03 . . . . . . . . . . . 4355 2 103 . 2 1 9 9 ASP HB3 H 1 3.03 . . . . . . . . . . . 4355 2 104 . 2 1 10 10 GLU N N 15 119.9 . . . . . . . . . . . 4355 2 105 . 2 1 10 10 GLU H H 1 8.63 . . . . . . . . . . . 4355 2 106 . 2 1 10 10 GLU C C 13 176.1 . . . . . . . . . . . 4355 2 107 . 2 1 10 10 GLU CA C 13 57.5 . . . . . . . . . . . 4355 2 108 . 2 1 10 10 GLU HA H 1 4.01 . . . . . . . . . . . 4355 2 109 . 2 1 10 10 GLU CB C 13 27.8 . . . . . . . . . . . 4355 2 110 . 2 1 10 10 GLU HB2 H 1 2.28 . . . . . . . . . . . 4355 2 111 . 2 1 10 10 GLU HB3 H 1 2.14 . . . . . . . . . . . 4355 2 112 . 2 1 10 10 GLU CG C 13 33.9 . . . . . . . . . . . 4355 2 113 . 2 1 10 10 GLU HG2 H 1 2.40 . . . . . . . . . . . 4355 2 114 . 2 1 10 10 GLU HG3 H 1 2.58 . . . . . . . . . . . 4355 2 115 . 2 1 11 11 GLN N N 15 119.3 . . . . . . . . . . . 4355 2 116 . 2 1 11 11 GLN H H 1 8.73 . . . . . . . . . . . 4355 2 117 . 2 1 11 11 GLN C C 13 178.4 . . . . . . . . . . . 4355 2 118 . 2 1 11 11 GLN CA C 13 57.6 . . . . . . . . . . . 4355 2 119 . 2 1 11 11 GLN HA H 1 4.09 . . . . . . . . . . . 4355 2 120 . 2 1 11 11 GLN HB2 H 1 2.16 . . . . . . . . . . . 4355 2 121 . 2 1 11 11 GLN HB3 H 1 1.99 . . . . . . . . . . . 4355 2 122 . 2 1 11 11 GLN CG C 13 33.2 . . . . . . . . . . . 4355 2 123 . 2 1 11 11 GLN HG2 H 1 2.65 . . . . . . . . . . . 4355 2 124 . 2 1 11 11 GLN HG3 H 1 3.01 . . . . . . . . . . . 4355 2 125 . 2 1 11 11 GLN NE2 N 15 107.6 . . . . . . . . . . . 4355 2 126 . 2 1 11 11 GLN HE21 H 1 7.41 . . . . . . . . . . . 4355 2 127 . 2 1 11 11 GLN HE22 H 1 6.91 . . . . . . . . . . . 4355 2 128 . 2 1 12 12 SER N N 15 116.1 . . . . . . . . . . . 4355 2 129 . 2 1 12 12 SER H H 1 8.59 . . . . . . . . . . . 4355 2 130 . 2 1 12 12 SER C C 13 177.0 . . . . . . . . . . . 4355 2 131 . 2 1 12 12 SER CA C 13 60.7 . . . . . . . . . . . 4355 2 132 . 2 1 12 12 SER HA H 1 4.05 . . . . . . . . . . . 4355 2 133 . 2 1 12 12 SER HB2 H 1 4.47 . . . . . . . . . . . 4355 2 134 . 2 1 12 12 SER HB3 H 1 4.12 . . . . . . . . . . . 4355 2 135 . 2 1 12 12 SER HG H 1 5.56 . . . . . . . . . . . 4355 2 136 . 2 1 13 13 GLU N N 15 125.9 . . . . . . . . . . . 4355 2 137 . 2 1 13 13 GLU H H 1 8.09 . . . . . . . . . . . 4355 2 138 . 2 1 13 13 GLU C C 13 174.5 . . . . . . . . . . . 4355 2 139 . 2 1 13 13 GLU CA C 13 56.6 . . . . . . . . . . . 4355 2 140 . 2 1 13 13 GLU HA H 1 4.23 . . . . . . . . . . . 4355 2 141 . 2 1 13 13 GLU HB2 H 1 2.11 . . . . . . . . . . . 4355 2 142 . 2 1 13 13 GLU HB3 H 1 2.18 . . . . . . . . . . . 4355 2 143 . 2 1 13 13 GLU CG C 13 32.7 . . . . . . . . . . . 4355 2 144 . 2 1 13 13 GLU HG2 H 1 2.34 . . . . . . . . . . . 4355 2 145 . 2 1 13 13 GLU HG3 H 1 2.40 . . . . . . . . . . . 4355 2 146 . 2 1 14 14 LEU N N 15 121.9 . . . . . . . . . . . 4355 2 147 . 2 1 14 14 LEU H H 1 7.51 . . . . . . . . . . . 4355 2 148 . 2 1 14 14 LEU C C 13 176.6 . . . . . . . . . . . 4355 2 149 . 2 1 14 14 LEU CA C 13 56.4 . . . . . . . . . . . 4355 2 150 . 2 1 14 14 LEU HA H 1 4.18 . . . . . . . . . . . 4355 2 151 . 2 1 14 14 LEU CB C 13 39.6 . . . . . . . . . . . 4355 2 152 . 2 1 14 14 LEU HB2 H 1 2.09 . . . . . . . . . . . 4355 2 153 . 2 1 14 14 LEU HB3 H 1 1.72 . . . . . . . . . . . 4355 2 154 . 2 1 14 14 LEU CG C 13 25.1 . . . . . . . . . . . 4355 2 155 . 2 1 14 14 LEU HG H 1 1.92 . . . . . . . . . . . 4355 2 156 . 2 1 14 14 LEU CD1 C 13 23.8 . . . . . . . . . . . 4355 2 157 . 2 1 14 14 LEU CD2 C 13 21.7 . . . . . . . . . . . 4355 2 158 . 2 1 14 14 LEU HD11 H 1 1.02 . . . . . . . . . . . 4355 2 159 . 2 1 14 14 LEU HD12 H 1 1.02 . . . . . . . . . . . 4355 2 160 . 2 1 14 14 LEU HD13 H 1 1.02 . . . . . . . . . . . 4355 2 161 . 2 1 14 14 LEU HD21 H 1 0.93 . . . . . . . . . . . 4355 2 162 . 2 1 14 14 LEU HD22 H 1 0.93 . . . . . . . . . . . 4355 2 163 . 2 1 14 14 LEU HD23 H 1 0.93 . . . . . . . . . . . 4355 2 164 . 2 1 15 15 VAL N N 15 119.9 . . . . . . . . . . . 4355 2 165 . 2 1 15 15 VAL H H 1 7.76 . . . . . . . . . . . 4355 2 166 . 2 1 15 15 VAL C C 13 178.5 . . . . . . . . . . . 4355 2 167 . 2 1 15 15 VAL CA C 13 64.6 . . . . . . . . . . . 4355 2 168 . 2 1 15 15 VAL HA H 1 3.66 . . . . . . . . . . . 4355 2 169 . 2 1 15 15 VAL CB C 13 29.4 . . . . . . . . . . . 4355 2 170 . 2 1 15 15 VAL HB H 1 2.23 . . . . . . . . . . . 4355 2 171 . 2 1 15 15 VAL CG1 C 13 19.8 . . . . . . . . . . . 4355 2 172 . 2 1 15 15 VAL CG2 C 13 21.9 . . . . . . . . . . . 4355 2 173 . 2 1 15 15 VAL HG11 H 1 0.87 . . . . . . . . . . . 4355 2 174 . 2 1 15 15 VAL HG12 H 1 0.87 . . . . . . . . . . . 4355 2 175 . 2 1 15 15 VAL HG13 H 1 0.87 . . . . . . . . . . . 4355 2 176 . 2 1 15 15 VAL HG21 H 1 1.07 . . . . . . . . . . . 4355 2 177 . 2 1 15 15 VAL HG22 H 1 1.07 . . . . . . . . . . . 4355 2 178 . 2 1 15 15 VAL HG23 H 1 1.07 . . . . . . . . . . . 4355 2 179 . 2 1 16 16 LYS N N 15 121.4 . . . . . . . . . . . 4355 2 180 . 2 1 16 16 LYS H H 1 8.59 . . . . . . . . . . . 4355 2 181 . 2 1 16 16 LYS C C 13 174.7 . . . . . . . . . . . 4355 2 182 . 2 1 16 16 LYS CA C 13 58.5 . . . . . . . . . . . 4355 2 183 . 2 1 16 16 LYS HA H 1 3.72 . . . . . . . . . . . 4355 2 184 . 2 1 16 16 LYS CB C 13 30.7 . . . . . . . . . . . 4355 2 185 . 2 1 16 16 LYS HB2 H 1 1.87 . . . . . . . . . . . 4355 2 186 . 2 1 16 16 LYS HB3 H 1 2.26 . . . . . . . . . . . 4355 2 187 . 2 1 16 16 LYS CG C 13 23.1 . . . . . . . . . . . 4355 2 188 . 2 1 16 16 LYS HG2 H 1 1.35 . . . . . . . . . . . 4355 2 189 . 2 1 16 16 LYS HG3 H 1 1.35 . . . . . . . . . . . 4355 2 190 . 2 1 16 16 LYS CD C 13 27.6 . . . . . . . . . . . 4355 2 191 . 2 1 16 16 LYS HD2 H 1 1.62 . . . . . . . . . . . 4355 2 192 . 2 1 16 16 LYS HD3 H 1 1.62 . . . . . . . . . . . 4355 2 193 . 2 1 16 16 LYS CE C 13 40.9 . . . . . . . . . . . 4355 2 194 . 2 1 16 16 LYS HE2 H 1 2.85 . . . . . . . . . . . 4355 2 195 . 2 1 16 16 LYS HE3 H 1 2.90 . . . . . . . . . . . 4355 2 196 . 2 1 17 17 LYS N N 15 118.4 . . . . . . . . . . . 4355 2 197 . 2 1 17 17 LYS H H 1 7.94 . . . . . . . . . . . 4355 2 198 . 2 1 17 17 LYS C C 13 175.7 . . . . . . . . . . . 4355 2 199 . 2 1 17 17 LYS CA C 13 57.6 . . . . . . . . . . . 4355 2 200 . 2 1 17 17 LYS HA H 1 4.12 . . . . . . . . . . . 4355 2 201 . 2 1 17 17 LYS CB C 13 30.7 . . . . . . . . . . . 4355 2 202 . 2 1 17 17 LYS HB2 H 1 1.96 . . . . . . . . . . . 4355 2 203 . 2 1 17 17 LYS HB3 H 1 2.01 . . . . . . . . . . . 4355 2 204 . 2 1 17 17 LYS CG C 13 23.4 . . . . . . . . . . . 4355 2 205 . 2 1 17 17 LYS HG2 H 1 1.67 . . . . . . . . . . . 4355 2 206 . 2 1 17 17 LYS HG3 H 1 1.48 . . . . . . . . . . . 4355 2 207 . 2 1 17 17 LYS CD C 13 27.2 . . . . . . . . . . . 4355 2 208 . 2 1 17 17 LYS HD2 H 1 1.81 . . . . . . . . . . . 4355 2 209 . 2 1 17 17 LYS HD3 H 1 1.68 . . . . . . . . . . . 4355 2 210 . 2 1 17 17 LYS CE C 13 40.6 . . . . . . . . . . . 4355 2 211 . 2 1 17 17 LYS HE2 H 1 3.05 . . . . . . . . . . . 4355 2 212 . 2 1 17 17 LYS HE3 H 1 3.05 . . . . . . . . . . . 4355 2 213 . 2 1 18 18 MET N N 15 118.7 . . . . . . . . . . . 4355 2 214 . 2 1 18 18 MET H H 1 7.63 . . . . . . . . . . . 4355 2 215 . 2 1 18 18 MET C C 13 175.5 . . . . . . . . . . . 4355 2 216 . 2 1 18 18 MET CA C 13 56.9 . . . . . . . . . . . 4355 2 217 . 2 1 18 18 MET HA H 1 4.29 . . . . . . . . . . . 4355 2 218 . 2 1 18 18 MET CB C 13 32.0 . . . . . . . . . . . 4355 2 219 . 2 1 18 18 MET HB2 H 1 2.24 . . . . . . . . . . . 4355 2 220 . 2 1 18 18 MET HB3 H 1 2.38 . . . . . . . . . . . 4355 2 221 . 2 1 18 18 MET CG C 13 29.1 . . . . . . . . . . . 4355 2 222 . 2 1 18 18 MET HG2 H 1 2.67 . . . . . . . . . . . 4355 2 223 . 2 1 18 18 MET HG3 H 1 2.40 . . . . . . . . . . . 4355 2 224 . 2 1 18 18 MET CE C 13 15.1 . . . . . . . . . . . 4355 2 225 . 2 1 18 18 MET HE1 H 1 2.05 . . . . . . . . . . . 4355 2 226 . 2 1 18 18 MET HE2 H 1 2.05 . . . . . . . . . . . 4355 2 227 . 2 1 18 18 MET HE3 H 1 2.05 . . . . . . . . . . . 4355 2 228 . 2 1 19 19 VAL N N 15 122.8 . . . . . . . . . . . 4355 2 229 . 2 1 19 19 VAL H H 1 8.59 . . . . . . . . . . . 4355 2 230 . 2 1 19 19 VAL C C 13 177.2 . . . . . . . . . . . 4355 2 231 . 2 1 19 19 VAL CA C 13 63.4 . . . . . . . . . . . 4355 2 232 . 2 1 19 19 VAL HA H 1 4.21 . . . . . . . . . . . 4355 2 233 . 2 1 19 19 VAL CB C 13 30.6 . . . . . . . . . . . 4355 2 234 . 2 1 19 19 VAL HB H 1 2.12 . . . . . . . . . . . 4355 2 235 . 2 1 19 19 VAL CG1 C 13 19.8 . . . . . . . . . . . 4355 2 236 . 2 1 19 19 VAL CG2 C 13 21.7 . . . . . . . . . . . 4355 2 237 . 2 1 19 19 VAL HG11 H 1 1.02 . . . . . . . . . . . 4355 2 238 . 2 1 19 19 VAL HG12 H 1 1.02 . . . . . . . . . . . 4355 2 239 . 2 1 19 19 VAL HG13 H 1 1.02 . . . . . . . . . . . 4355 2 240 . 2 1 19 19 VAL HG21 H 1 1.17 . . . . . . . . . . . 4355 2 241 . 2 1 19 19 VAL HG22 H 1 1.17 . . . . . . . . . . . 4355 2 242 . 2 1 19 19 VAL HG23 H 1 1.17 . . . . . . . . . . . 4355 2 243 . 2 1 20 20 PHE N N 15 123.3 . . . . . . . . . . . 4355 2 244 . 2 1 20 20 PHE H H 1 9.45 . . . . . . . . . . . 4355 2 245 . 2 1 20 20 PHE C C 13 175.5 . . . . . . . . . . . 4355 2 246 . 2 1 20 20 PHE CA C 13 59.8 . . . . . . . . . . . 4355 2 247 . 2 1 20 20 PHE HA H 1 4.12 . . . . . . . . . . . 4355 2 248 . 2 1 20 20 PHE CB C 13 37.8 . . . . . . . . . . . 4355 2 249 . 2 1 20 20 PHE HB2 H 1 3.30 . . . . . . . . . . . 4355 2 250 . 2 1 20 20 PHE HB3 H 1 3.46 . . . . . . . . . . . 4355 2 251 . 2 1 20 20 PHE HD1 H 1 7.22 . . . . . . . . . . . 4355 2 252 . 2 1 20 20 PHE HE1 H 1 7.48 . . . . . . . . . . . 4355 2 253 . 2 1 20 20 PHE HZ H 1 7.35 . . . . . . . . . . . 4355 2 254 . 2 1 21 21 ASP N N 15 118.2 . . . . . . . . . . . 4355 2 255 . 2 1 21 21 ASP H H 1 8.63 . . . . . . . . . . . 4355 2 256 . 2 1 21 21 ASP C C 13 174.7 . . . . . . . . . . . 4355 2 257 . 2 1 21 21 ASP CA C 13 55.3 . . . . . . . . . . . 4355 2 258 . 2 1 21 21 ASP HA H 1 4.12 . . . . . . . . . . . 4355 2 259 . 2 1 21 21 ASP CB C 13 38.1 . . . . . . . . . . . 4355 2 260 . 2 1 21 21 ASP HB2 H 1 2.82 . . . . . . . . . . . 4355 2 261 . 2 1 21 21 ASP HB3 H 1 2.63 . . . . . . . . . . . 4355 2 262 . 2 1 22 22 THR N N 15 117.7 . . . . . . . . . . . 4355 2 263 . 2 1 22 22 THR H H 1 7.74 . . . . . . . . . . . 4355 2 264 . 2 1 22 22 THR C C 13 177.2 . . . . . . . . . . . 4355 2 265 . 2 1 22 22 THR CA C 13 64.9 . . . . . . . . . . . 4355 2 266 . 2 1 22 22 THR HA H 1 3.79 . . . . . . . . . . . 4355 2 267 . 2 1 22 22 THR CB C 13 66.4 . . . . . . . . . . . 4355 2 268 . 2 1 22 22 THR HB H 1 4.46 . . . . . . . . . . . 4355 2 269 . 2 1 22 22 THR CG2 C 13 19.9 . . . . . . . . . . . 4355 2 270 . 2 1 22 22 THR HG21 H 1 0.64 . . . . . . . . . . . 4355 2 271 . 2 1 22 22 THR HG22 H 1 0.64 . . . . . . . . . . . 4355 2 272 . 2 1 22 22 THR HG23 H 1 0.64 . . . . . . . . . . . 4355 2 273 . 2 1 23 23 LEU N N 15 122.1 . . . . . . . . . . . 4355 2 274 . 2 1 23 23 LEU H H 1 9.00 . . . . . . . . . . . 4355 2 275 . 2 1 23 23 LEU C C 13 174.1 . . . . . . . . . . . 4355 2 276 . 2 1 23 23 LEU CA C 13 55.9 . . . . . . . . . . . 4355 2 277 . 2 1 23 23 LEU HA H 1 3.70 . . . . . . . . . . . 4355 2 278 . 2 1 23 23 LEU CB C 13 40.3 . . . . . . . . . . . 4355 2 279 . 2 1 23 23 LEU HB2 H 1 2.00 . . . . . . . . . . . 4355 2 280 . 2 1 23 23 LEU HB3 H 1 2.00 . . . . . . . . . . . 4355 2 281 . 2 1 23 23 LEU CG C 13 25.2 . . . . . . . . . . . 4355 2 282 . 2 1 23 23 LEU HG H 1 2.13 . . . . . . . . . . . 4355 2 283 . 2 1 23 23 LEU CD1 C 13 26.8 . . . . . . . . . . . 4355 2 284 . 2 1 23 23 LEU CD2 C 13 21.1 . . . . . . . . . . . 4355 2 285 . 2 1 23 23 LEU HD11 H 1 1.14 . . . . . . . . . . . 4355 2 286 . 2 1 23 23 LEU HD12 H 1 1.14 . . . . . . . . . . . 4355 2 287 . 2 1 23 23 LEU HD13 H 1 1.14 . . . . . . . . . . . 4355 2 288 . 2 1 23 23 LEU HD21 H 1 0.89 . . . . . . . . . . . 4355 2 289 . 2 1 23 23 LEU HD22 H 1 0.89 . . . . . . . . . . . 4355 2 290 . 2 1 23 23 LEU HD23 H 1 0.89 . . . . . . . . . . . 4355 2 291 . 2 1 24 24 LYS N N 15 117.8 . . . . . . . . . . . 4355 2 292 . 2 1 24 24 LYS H H 1 8.20 . . . . . . . . . . . 4355 2 293 . 2 1 24 24 LYS C C 13 176.1 . . . . . . . . . . . 4355 2 294 . 2 1 24 24 LYS CA C 13 58.4 . . . . . . . . . . . 4355 2 295 . 2 1 24 24 LYS HA H 1 3.68 . . . . . . . . . . . 4355 2 296 . 2 1 24 24 LYS CB C 13 29.6 . . . . . . . . . . . 4355 2 297 . 2 1 24 24 LYS HB2 H 1 1.50 . . . . . . . . . . . 4355 2 298 . 2 1 24 24 LYS HB3 H 1 1.50 . . . . . . . . . . . 4355 2 299 . 2 1 24 24 LYS CG C 13 23.2 . . . . . . . . . . . 4355 2 300 . 2 1 24 24 LYS HG2 H 1 1.17 . . . . . . . . . . . 4355 2 301 . 2 1 24 24 LYS HG3 H 1 1.12 . . . . . . . . . . . 4355 2 302 . 2 1 24 24 LYS CD C 13 27.9 . . . . . . . . . . . 4355 2 303 . 2 1 24 24 LYS HD2 H 1 1.44 . . . . . . . . . . . 4355 2 304 . 2 1 24 24 LYS HD3 H 1 1.37 . . . . . . . . . . . 4355 2 305 . 2 1 24 24 LYS CE C 13 39.7 . . . . . . . . . . . 4355 2 306 . 2 1 24 24 LYS HE2 H 1 2.53 . . . . . . . . . . . 4355 2 307 . 2 1 24 24 LYS HE3 H 1 2.79 . . . . . . . . . . . 4355 2 308 . 2 1 25 25 ASP N N 15 118.7 . . . . . . . . . . . 4355 2 309 . 2 1 25 25 ASP H H 1 7.12 . . . . . . . . . . . 4355 2 310 . 2 1 25 25 ASP C C 13 176.4 . . . . . . . . . . . 4355 2 311 . 2 1 25 25 ASP CA C 13 55.0 . . . . . . . . . . . 4355 2 312 . 2 1 25 25 ASP HA H 1 4.42 . . . . . . . . . . . 4355 2 313 . 2 1 25 25 ASP CB C 13 39.1 . . . . . . . . . . . 4355 2 314 . 2 1 25 25 ASP HB2 H 1 2.68 . . . . . . . . . . . 4355 2 315 . 2 1 25 25 ASP HB3 H 1 2.74 . . . . . . . . . . . 4355 2 316 . 2 1 26 26 LEU N N 15 120.7 . . . . . . . . . . . 4355 2 317 . 2 1 26 26 LEU H H 1 8.31 . . . . . . . . . . . 4355 2 318 . 2 1 26 26 LEU C C 13 176.6 . . . . . . . . . . . 4355 2 319 . 2 1 26 26 LEU CA C 13 55.6 . . . . . . . . . . . 4355 2 320 . 2 1 26 26 LEU HA H 1 3.96 . . . . . . . . . . . 4355 2 321 . 2 1 26 26 LEU CB C 13 40.0 . . . . . . . . . . . 4355 2 322 . 2 1 26 26 LEU HB2 H 1 1.63 . . . . . . . . . . . 4355 2 323 . 2 1 26 26 LEU HB3 H 1 1.27 . . . . . . . . . . . 4355 2 324 . 2 1 26 26 LEU CG C 13 24.5 . . . . . . . . . . . 4355 2 325 . 2 1 26 26 LEU HG H 1 1.65 . . . . . . . . . . . 4355 2 326 . 2 1 26 26 LEU CD1 C 13 24.0 . . . . . . . . . . . 4355 2 327 . 2 1 26 26 LEU CD2 C 13 20.4 . . . . . . . . . . . 4355 2 328 . 2 1 26 26 LEU HD11 H 1 0.51 . . . . . . . . . . . 4355 2 329 . 2 1 26 26 LEU HD12 H 1 0.51 . . . . . . . . . . . 4355 2 330 . 2 1 26 26 LEU HD13 H 1 0.51 . . . . . . . . . . . 4355 2 331 . 2 1 26 26 LEU HD21 H 1 0.64 . . . . . . . . . . . 4355 2 332 . 2 1 26 26 LEU HD22 H 1 0.64 . . . . . . . . . . . 4355 2 333 . 2 1 26 26 LEU HD23 H 1 0.64 . . . . . . . . . . . 4355 2 334 . 2 1 27 27 TYR N N 15 118.3 . . . . . . . . . . . 4355 2 335 . 2 1 27 27 TYR H H 1 8.55 . . . . . . . . . . . 4355 2 336 . 2 1 27 27 TYR C C 13 178.3 . . . . . . . . . . . 4355 2 337 . 2 1 27 27 TYR CA C 13 57.0 . . . . . . . . . . . 4355 2 338 . 2 1 27 27 TYR HA H 1 4.53 . . . . . . . . . . . 4355 2 339 . 2 1 27 27 TYR HB2 H 1 3.15 . . . . . . . . . . . 4355 2 340 . 2 1 27 27 TYR HB3 H 1 2.94 . . . . . . . . . . . 4355 2 341 . 2 1 27 27 TYR HD1 H 1 6.99 . . . . . . . . . . . 4355 2 342 . 2 1 27 27 TYR HE1 H 1 6.64 . . . . . . . . . . . 4355 2 343 . 2 1 28 28 LYS N N 15 120.6 . . . . . . . . . . . 4355 2 344 . 2 1 28 28 LYS H H 1 7.64 . . . . . . . . . . . 4355 2 345 . 2 1 28 28 LYS C C 13 175.9 . . . . . . . . . . . 4355 2 346 . 2 1 28 28 LYS CA C 13 56.0 . . . . . . . . . . . 4355 2 347 . 2 1 28 28 LYS HA H 1 4.20 . . . . . . . . . . . 4355 2 348 . 2 1 28 28 LYS CB C 13 30.7 . . . . . . . . . . . 4355 2 349 . 2 1 28 28 LYS HB2 H 1 1.96 . . . . . . . . . . . 4355 2 350 . 2 1 28 28 LYS HB3 H 1 1.96 . . . . . . . . . . . 4355 2 351 . 2 1 28 28 LYS CG C 13 23.4 . . . . . . . . . . . 4355 2 352 . 2 1 28 28 LYS HG2 H 1 1.49 . . . . . . . . . . . 4355 2 353 . 2 1 28 28 LYS HG3 H 1 1.61 . . . . . . . . . . . 4355 2 354 . 2 1 28 28 LYS CD C 13 27.6 . . . . . . . . . . . 4355 2 355 . 2 1 28 28 LYS HD2 H 1 1.71 . . . . . . . . . . . 4355 2 356 . 2 1 28 28 LYS HD3 H 1 1.71 . . . . . . . . . . . 4355 2 357 . 2 1 28 28 LYS CE C 13 40.4 . . . . . . . . . . . 4355 2 358 . 2 1 28 28 LYS HE2 H 1 2.98 . . . . . . . . . . . 4355 2 359 . 2 1 28 28 LYS HE3 H 1 2.98 . . . . . . . . . . . 4355 2 360 . 2 1 29 29 LYS N N 15 120.6 . . . . . . . . . . . 4355 2 361 . 2 1 29 29 LYS H H 1 7.97 . . . . . . . . . . . 4355 2 362 . 2 1 29 29 LYS C C 13 175.3 . . . . . . . . . . . 4355 2 363 . 2 1 29 29 LYS CA C 13 55.2 . . . . . . . . . . . 4355 2 364 . 2 1 29 29 LYS HA H 1 4.27 . . . . . . . . . . . 4355 2 365 . 2 1 29 29 LYS CB C 13 30.9 . . . . . . . . . . . 4355 2 366 . 2 1 29 29 LYS HB2 H 1 1.88 . . . . . . . . . . . 4355 2 367 . 2 1 29 29 LYS HB3 H 1 1.90 . . . . . . . . . . . 4355 2 368 . 2 1 29 29 LYS CG C 13 23.3 . . . . . . . . . . . 4355 2 369 . 2 1 29 29 LYS HG2 H 1 1.47 . . . . . . . . . . . 4355 2 370 . 2 1 29 29 LYS HG3 H 1 1.55 . . . . . . . . . . . 4355 2 371 . 2 1 29 29 LYS CD C 13 27.4 . . . . . . . . . . . 4355 2 372 . 2 1 29 29 LYS HD2 H 1 1.66 . . . . . . . . . . . 4355 2 373 . 2 1 29 29 LYS HD3 H 1 1.67 . . . . . . . . . . . 4355 2 374 . 2 1 29 29 LYS CE C 13 40.0 . . . . . . . . . . . 4355 2 375 . 2 1 29 29 LYS HE2 H 1 2.93 . . . . . . . . . . . 4355 2 376 . 2 1 29 29 LYS HE3 H 1 2.93 . . . . . . . . . . . 4355 2 377 . 2 1 30 30 THR N N 15 114.4 . . . . . . . . . . . 4355 2 378 . 2 1 30 30 THR H H 1 7.97 . . . . . . . . . . . 4355 2 379 . 2 1 30 30 THR C C 13 175.2 . . . . . . . . . . . 4355 2 380 . 2 1 30 30 THR CA C 13 60.0 . . . . . . . . . . . 4355 2 381 . 2 1 30 30 THR HA H 1 4.39 . . . . . . . . . . . 4355 2 382 . 2 1 30 30 THR CB C 13 67.7 . . . . . . . . . . . 4355 2 383 . 2 1 30 30 THR HB H 1 4.24 . . . . . . . . . . . 4355 2 384 . 2 1 30 30 THR CG2 C 13 19.8 . . . . . . . . . . . 4355 2 385 . 2 1 30 30 THR HG21 H 1 1.19 . . . . . . . . . . . 4355 2 386 . 2 1 30 30 THR HG22 H 1 1.19 . . . . . . . . . . . 4355 2 387 . 2 1 30 30 THR HG23 H 1 1.19 . . . . . . . . . . . 4355 2 388 . 2 1 31 31 THR N N 15 116.7 . . . . . . . . . . . 4355 2 389 . 2 1 31 31 THR H H 1 7.97 . . . . . . . . . . . 4355 2 390 . 2 1 31 31 THR C C 13 172.6 . . . . . . . . . . . 4355 2 391 . 2 1 31 31 THR CA C 13 59.9 . . . . . . . . . . . 4355 2 392 . 2 1 31 31 THR HA H 1 4.27 . . . . . . . . . . . 4355 2 393 . 2 1 31 31 THR CB C 13 67.6 . . . . . . . . . . . 4355 2 394 . 2 1 31 31 THR HB H 1 4.12 . . . . . . . . . . . 4355 2 395 . 2 1 31 31 THR CG2 C 13 19.8 . . . . . . . . . . . 4355 2 396 . 2 1 31 31 THR HG21 H 1 1.9 . . . . . . . . . . . 4355 2 397 . 2 1 31 31 THR HG22 H 1 1.9 . . . . . . . . . . . 4355 2 398 . 2 1 31 31 THR HG23 H 1 1.9 . . . . . . . . . . . 4355 2 stop_ save_