data_27262 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27262 _Entry.Title ; '1H, 13C and 15N Chemical shift assignment for double stranded RNA Binding Domain 1 of Trans Activation Response element (TAR) RNA Binding protein 2' ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-23 _Entry.Accession_date 2017-09-23 _Entry.Last_release_date 2017-09-25 _Entry.Original_release_date 2017-09-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Chemical shift Assignment' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jeetender Chugh . . . . 27262 2 Harshad Paithankar . . . . 27262 3 Shilpy Sharma . . . . 27262 4 Amit Naglekar . . . . 27262 5 Pankaj Jadhav . . . . 27262 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27262 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 225 27262 '15N chemical shifts' 97 27262 '1H chemical shifts' 290 27262 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-03-28 2017-09-23 update BMRB 'update entry citation' 27262 1 . . 2018-03-08 2017-09-23 original author 'original release' 27262 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18324 . 27262 PDB 3LLH . 27262 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27262 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29445910 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignment of domain 1 of trans-activation response element (TAR) RNA binding protein isoform 1 (TRBP2) and its comparison with that of isoform 2 (TRBP1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 189 _Citation.Page_last 194 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Harshad Paithankar H. . . . 27262 1 2 Pankaj Jadhav P. V. . . 27262 1 3 Amit Naglekar A. S. . . 27262 1 4 Shilpy Sharma S. . . . 27262 1 5 Jeetender Chugh J. . . . 27262 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27262 _Assembly.ID 1 _Assembly.Name 'dsRBD1 of TAR RNA Binding Protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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_ _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 'dsRBD1 of TAR RNA Binding Protein 2' 1 $dsRBD1_of_TAR_RNA_Binding_Protein_2 A . yes native no no . . . 27262 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dsRBD1_of_TAR_RNA_Binding_Protein_2 _Entity.Sf_category entity _Entity.Sf_framecode dsRBD1_of_TAR_RNA_Binding_Protein_2 _Entity.Entry_ID 27262 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dsRBD1_of_TAR_RNA_Binding_Protein_2 _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 ; GGAMSEEEQGSGTTTGCGLP SIEQMLAANPGKTPISLLQE YGTRIGKTPVYDLLKAEGQA HQPNFTFRVTVGDTSCTGQG PSKKAAKHKAAEVALKHLKG GSMLEPAL ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'dsRBD1 of TAR RNA Binding Protein 2' _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 . 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 GLY . 27262 1 2 2 GLY . 27262 1 3 3 ALA . 27262 1 4 4 MET . 27262 1 5 5 SER . 27262 1 6 6 GLU . 27262 1 7 7 GLU . 27262 1 8 8 GLU . 27262 1 9 9 GLN . 27262 1 10 10 GLY . 27262 1 11 11 SER . 27262 1 12 12 GLY . 27262 1 13 13 THR . 27262 1 14 14 THR . 27262 1 15 15 THR . 27262 1 16 16 GLY . 27262 1 17 17 CYS . 27262 1 18 18 GLY . 27262 1 19 19 LEU . 27262 1 20 20 PRO . 27262 1 21 21 SER . 27262 1 22 22 ILE . 27262 1 23 23 GLU . 27262 1 24 24 GLN . 27262 1 25 25 MET . 27262 1 26 26 LEU . 27262 1 27 27 ALA . 27262 1 28 28 ALA . 27262 1 29 29 ASN . 27262 1 30 30 PRO . 27262 1 31 31 GLY . 27262 1 32 32 LYS . 27262 1 33 33 THR . 27262 1 34 34 PRO . 27262 1 35 35 ILE . 27262 1 36 36 SER . 27262 1 37 37 LEU . 27262 1 38 38 LEU . 27262 1 39 39 GLN . 27262 1 40 40 GLU . 27262 1 41 41 TYR . 27262 1 42 42 GLY . 27262 1 43 43 THR . 27262 1 44 44 ARG . 27262 1 45 45 ILE . 27262 1 46 46 GLY . 27262 1 47 47 LYS . 27262 1 48 48 THR . 27262 1 49 49 PRO . 27262 1 50 50 VAL . 27262 1 51 51 TYR . 27262 1 52 52 ASP . 27262 1 53 53 LEU . 27262 1 54 54 LEU . 27262 1 55 55 LYS . 27262 1 56 56 ALA . 27262 1 57 57 GLU . 27262 1 58 58 GLY . 27262 1 59 59 GLN . 27262 1 60 60 ALA . 27262 1 61 61 HIS . 27262 1 62 62 GLN . 27262 1 63 63 PRO . 27262 1 64 64 ASN . 27262 1 65 65 PHE . 27262 1 66 66 THR . 27262 1 67 67 PHE . 27262 1 68 68 ARG . 27262 1 69 69 VAL . 27262 1 70 70 THR . 27262 1 71 71 VAL . 27262 1 72 72 GLY . 27262 1 73 73 ASP . 27262 1 74 74 THR . 27262 1 75 75 SER . 27262 1 76 76 CYS . 27262 1 77 77 THR . 27262 1 78 78 GLY . 27262 1 79 79 GLN . 27262 1 80 80 GLY . 27262 1 81 81 PRO . 27262 1 82 82 SER . 27262 1 83 83 LYS . 27262 1 84 84 LYS . 27262 1 85 85 ALA . 27262 1 86 86 ALA . 27262 1 87 87 LYS . 27262 1 88 88 HIS . 27262 1 89 89 LYS . 27262 1 90 90 ALA . 27262 1 91 91 ALA . 27262 1 92 92 GLU . 27262 1 93 93 VAL . 27262 1 94 94 ALA . 27262 1 95 95 LEU . 27262 1 96 96 LYS . 27262 1 97 97 HIS . 27262 1 98 98 LEU . 27262 1 99 99 LYS . 27262 1 100 100 GLY . 27262 1 101 101 GLY . 27262 1 102 102 SER . 27262 1 103 103 MET . 27262 1 104 104 LEU . 27262 1 105 105 GLU . 27262 1 106 106 PRO . 27262 1 107 107 ALA . 27262 1 108 108 LEU . 27262 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 . GLY 1 1 27262 1 . GLY 2 2 27262 1 . ALA 3 3 27262 1 . MET 4 4 27262 1 . SER 5 5 27262 1 . GLU 6 6 27262 1 . GLU 7 7 27262 1 . GLU 8 8 27262 1 . GLN 9 9 27262 1 . GLY 10 10 27262 1 . SER 11 11 27262 1 . GLY 12 12 27262 1 . THR 13 13 27262 1 . THR 14 14 27262 1 . THR 15 15 27262 1 . GLY 16 16 27262 1 . CYS 17 17 27262 1 . GLY 18 18 27262 1 . LEU 19 19 27262 1 . PRO 20 20 27262 1 . SER 21 21 27262 1 . ILE 22 22 27262 1 . GLU 23 23 27262 1 . GLN 24 24 27262 1 . MET 25 25 27262 1 . LEU 26 26 27262 1 . ALA 27 27 27262 1 . ALA 28 28 27262 1 . ASN 29 29 27262 1 . PRO 30 30 27262 1 . GLY 31 31 27262 1 . LYS 32 32 27262 1 . THR 33 33 27262 1 . PRO 34 34 27262 1 . ILE 35 35 27262 1 . SER 36 36 27262 1 . LEU 37 37 27262 1 . LEU 38 38 27262 1 . GLN 39 39 27262 1 . GLU 40 40 27262 1 . TYR 41 41 27262 1 . GLY 42 42 27262 1 . THR 43 43 27262 1 . ARG 44 44 27262 1 . ILE 45 45 27262 1 . GLY 46 46 27262 1 . LYS 47 47 27262 1 . THR 48 48 27262 1 . PRO 49 49 27262 1 . VAL 50 50 27262 1 . TYR 51 51 27262 1 . ASP 52 52 27262 1 . LEU 53 53 27262 1 . LEU 54 54 27262 1 . LYS 55 55 27262 1 . ALA 56 56 27262 1 . GLU 57 57 27262 1 . GLY 58 58 27262 1 . GLN 59 59 27262 1 . ALA 60 60 27262 1 . HIS 61 61 27262 1 . GLN 62 62 27262 1 . PRO 63 63 27262 1 . ASN 64 64 27262 1 . PHE 65 65 27262 1 . THR 66 66 27262 1 . PHE 67 67 27262 1 . ARG 68 68 27262 1 . VAL 69 69 27262 1 . THR 70 70 27262 1 . VAL 71 71 27262 1 . GLY 72 72 27262 1 . ASP 73 73 27262 1 . THR 74 74 27262 1 . SER 75 75 27262 1 . CYS 76 76 27262 1 . THR 77 77 27262 1 . GLY 78 78 27262 1 . GLN 79 79 27262 1 . GLY 80 80 27262 1 . PRO 81 81 27262 1 . SER 82 82 27262 1 . LYS 83 83 27262 1 . LYS 84 84 27262 1 . ALA 85 85 27262 1 . ALA 86 86 27262 1 . LYS 87 87 27262 1 . HIS 88 88 27262 1 . LYS 89 89 27262 1 . ALA 90 90 27262 1 . ALA 91 91 27262 1 . GLU 92 92 27262 1 . VAL 93 93 27262 1 . ALA 94 94 27262 1 . LEU 95 95 27262 1 . LYS 96 96 27262 1 . HIS 97 97 27262 1 . LEU 98 98 27262 1 . LYS 99 99 27262 1 . GLY 100 100 27262 1 . GLY 101 101 27262 1 . SER 102 102 27262 1 . MET 103 103 27262 1 . LEU 104 104 27262 1 . GLU 105 105 27262 1 . PRO 106 106 27262 1 . ALA 107 107 27262 1 . LEU 108 108 27262 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 27262 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $dsRBD1_of_TAR_RNA_Binding_Protein_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27262 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 27262 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $dsRBD1_of_TAR_RNA_Binding_Protein_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pSV272 . . 'The vector used here is a modified for of pET27' 27262 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27262 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'dsRBD1 of TAR RNA Binding Protein 2' '[U-100% 13C; U-100% 15N]' . . 1 $dsRBD1_of_TAR_RNA_Binding_Protein_2 . . 800 . . uM . . . . 27262 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27262 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27262 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27262 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27262 1 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 27262 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27262 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'dsRBD1 of TAR RNA Binding Protein 2' '[U-100% 15N]' . . 1 $dsRBD1_of_TAR_RNA_Binding_Protein_2 . . 800 . . uM . . . . 27262 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27262 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27262 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27262 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27262 2 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 27262 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 27262 _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' 100 . mM 27262 1 pH 6.4 . pH 27262 1 pressure 1 . atm 27262 1 temperature 298 . K 27262 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27262 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27262 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27262 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 27262 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryogenic probe' _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 27262 _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 . 600 'Cryogenic probe' . . 27262 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 27262 _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' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27262 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27262 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27262 1 4 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27262 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27262 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27262 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27262 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27262 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27262 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 27262 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 27262 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 27262 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 27262 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 27262 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27262 1 2 '3D HNCA' . . . 27262 1 3 '3D HN(CO)CA' . . . 27262 1 4 '3D HNN' . . . 27262 1 5 '3D HNCACB' . . . 27262 1 6 '3D CBCA(CO)NH' . . . 27262 1 7 '3D HNCO' . . . 27262 1 8 '3D HN(CA)CO' . . . 27262 1 9 '3D 1H-15N TOCSY' . . . 27262 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 $TOPSPIN . . 27262 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ALA H H 1 8.313 0.020 . 1 . . . . . 3 ALA H . 27262 1 2 . 1 1 3 3 ALA HA H 1 4.683 0.020 . 1 . . . . . 3 ALA HA . 27262 1 3 . 1 1 3 3 ALA HB1 H 1 1.296 0.020 . 1 . . . . . 3 ALA HB . 27262 1 4 . 1 1 3 3 ALA HB2 H 1 1.296 0.020 . 1 . . . . . 3 ALA HB . 27262 1 5 . 1 1 3 3 ALA HB3 H 1 1.296 0.020 . 1 . . . . . 3 ALA HB . 27262 1 6 . 1 1 3 3 ALA C C 13 177.960 0.3 . 1 . . . . . 3 ALA C . 27262 1 7 . 1 1 3 3 ALA CA C 13 52.590 0.3 . 1 . . . . . 3 ALA CA . 27262 1 8 . 1 1 3 3 ALA CB C 13 19.267 0.3 . 1 . . . . . 3 ALA CB . 27262 1 9 . 1 1 3 3 ALA N N 15 124.141 0.3 . 1 . . . . . 3 ALA N . 27262 1 10 . 1 1 4 4 MET H H 1 8.369 0.020 . 1 . . . . . 4 MET H . 27262 1 11 . 1 1 4 4 MET HA H 1 4.393 0.020 . 1 . . . . . 4 MET HA . 27262 1 12 . 1 1 4 4 MET C C 13 176.358 0.3 . 1 . . . . . 4 MET C . 27262 1 13 . 1 1 4 4 MET CA C 13 52.549 0.3 . 1 . . . . . 4 MET CA . 27262 1 14 . 1 1 4 4 MET N N 15 119.599 0.3 . 1 . . . . . 4 MET N . 27262 1 15 . 1 1 5 5 SER H H 1 8.263 0.020 . 1 . . . . . 5 SER H . 27262 1 16 . 1 1 5 5 SER HA H 1 4.362 0.020 . 1 . . . . . 5 SER HA . 27262 1 17 . 1 1 5 5 SER HB2 H 1 3.812 0.020 . 2 . . . . . 5 SER HB2 . 27262 1 18 . 1 1 5 5 SER HB3 H 1 3.796 0.020 . 2 . . . . . 5 SER HB3 . 27262 1 19 . 1 1 5 5 SER C C 13 174.782 0.3 . 1 . . . . . 5 SER C . 27262 1 20 . 1 1 5 5 SER CA C 13 58.367 0.3 . 1 . . . . . 5 SER CA . 27262 1 21 . 1 1 5 5 SER CB C 13 63.813 0.3 . 1 . . . . . 5 SER CB . 27262 1 22 . 1 1 5 5 SER N N 15 117.080 0.3 . 1 . . . . . 5 SER N . 27262 1 23 . 1 1 6 6 GLU H H 1 8.503 0.020 . 1 . . . . . 6 GLU H . 27262 1 24 . 1 1 6 6 GLU HA H 1 4.164 0.020 . 1 . . . . . 6 GLU HA . 27262 1 25 . 1 1 6 6 GLU HB2 H 1 2.186 0.020 . 2 . . . . . 6 GLU HB2 . 27262 1 26 . 1 1 6 6 GLU HB3 H 1 1.881 0.020 . 2 . . . . . 6 GLU HB3 . 27262 1 27 . 1 1 6 6 GLU C C 13 176.968 0.3 . 1 . . . . . 6 GLU C . 27262 1 28 . 1 1 6 6 GLU CA C 13 57.146 0.3 . 1 . . . . . 6 GLU CA . 27262 1 29 . 1 1 6 6 GLU CB C 13 30.047 0.3 . 1 . . . . . 6 GLU CB . 27262 1 30 . 1 1 6 6 GLU N N 15 122.773 0.3 . 1 . . . . . 6 GLU N . 27262 1 31 . 1 1 7 7 GLU H H 1 8.319 0.020 . 1 . . . . . 7 GLU H . 27262 1 32 . 1 1 7 7 GLU HA H 1 4.149 0.020 . 1 . . . . . 7 GLU HA . 27262 1 33 . 1 1 7 7 GLU HB2 H 1 2.186 0.020 . 2 . . . . . 7 GLU HB2 . 27262 1 34 . 1 1 7 7 GLU HB3 H 1 1.881 0.020 . 2 . . . . . 7 GLU HB3 . 27262 1 35 . 1 1 7 7 GLU C C 13 176.867 0.3 . 1 . . . . . 7 GLU C . 27262 1 36 . 1 1 7 7 GLU CA C 13 57.004 0.3 . 1 . . . . . 7 GLU CA . 27262 1 37 . 1 1 7 7 GLU CB C 13 30.200 0.3 . 1 . . . . . 7 GLU CB . 27262 1 38 . 1 1 7 7 GLU N N 15 120.890 0.3 . 1 . . . . . 7 GLU N . 27262 1 39 . 1 1 8 8 GLU H H 1 8.216 0.020 . 1 . . . . . 8 GLU H . 27262 1 40 . 1 1 8 8 GLU HA H 1 4.149 0.020 . 1 . . . . . 8 GLU HA . 27262 1 41 . 1 1 8 8 GLU HB2 H 1 2.172 0.020 . 2 . . . . . 8 GLU HB2 . 27262 1 42 . 1 1 8 8 GLU HB3 H 1 1.896 0.020 . 2 . . . . . 8 GLU HB3 . 27262 1 43 . 1 1 8 8 GLU C C 13 176.829 0.3 . 1 . . . . . 8 GLU C . 27262 1 44 . 1 1 8 8 GLU CA C 13 56.902 0.3 . 1 . . . . . 8 GLU CA . 27262 1 45 . 1 1 8 8 GLU CB C 13 30.200 0.3 . 1 . . . . . 8 GLU CB . 27262 1 46 . 1 1 8 8 GLU N N 15 121.727 0.3 . 1 . . . . . 8 GLU N . 27262 1 47 . 1 1 9 9 GLN H H 1 8.323 0.020 . 1 . . . . . 9 GLN H . 27262 1 48 . 1 1 9 9 GLN HA H 1 4.210 0.020 . 1 . . . . . 9 GLN HA . 27262 1 49 . 1 1 9 9 GLN HB2 H 1 2.302 0.020 . 2 . . . . . 9 GLN HB2 . 27262 1 50 . 1 1 9 9 GLN HB3 H 1 1.925 0.020 . 2 . . . . . 9 GLN HB3 . 27262 1 51 . 1 1 9 9 GLN C C 13 176.787 0.3 . 1 . . . . . 9 GLN C . 27262 1 52 . 1 1 9 9 GLN CA C 13 56.211 0.3 . 1 . . . . . 9 GLN CA . 27262 1 53 . 1 1 9 9 GLN CB C 13 29.335 0.3 . 1 . . . . . 9 GLN CB . 27262 1 54 . 1 1 9 9 GLN N N 15 121.284 0.3 . 1 . . . . . 9 GLN N . 27262 1 55 . 1 1 10 10 GLY H H 1 8.346 0.020 . 1 . . . . . 10 GLY H . 27262 1 56 . 1 1 10 10 GLY HA2 H 1 3.920 0.020 . 1 . . . . . 10 GLY HA2 . 27262 1 57 . 1 1 10 10 GLY HA3 H 1 3.920 0.020 . 1 . . . . . 10 GLY HA3 . 27262 1 58 . 1 1 10 10 GLY C C 13 174.426 0.3 . 1 . . . . . 10 GLY C . 27262 1 59 . 1 1 10 10 GLY CA C 13 45.410 0.3 . 1 . . . . . 10 GLY CA . 27262 1 60 . 1 1 10 10 GLY N N 15 109.864 0.3 . 1 . . . . . 10 GLY N . 27262 1 61 . 1 1 11 11 SER H H 1 8.218 0.020 . 1 . . . . . 11 SER H . 27262 1 62 . 1 1 11 11 SER HA H 1 4.378 0.020 . 1 . . . . . 11 SER HA . 27262 1 63 . 1 1 11 11 SER HB2 H 1 3.812 0.020 . 2 . . . . . 11 SER HB2 . 27262 1 64 . 1 1 11 11 SER HB3 H 1 3.796 0.020 . 2 . . . . . 11 SER HB3 . 27262 1 65 . 1 1 11 11 SER C C 13 175.265 0.3 . 1 . . . . . 11 SER C . 27262 1 66 . 1 1 11 11 SER CA C 13 58.611 0.3 . 1 . . . . . 11 SER CA . 27262 1 67 . 1 1 11 11 SER CB C 13 63.813 0.3 . 1 . . . . . 11 SER CB . 27262 1 68 . 1 1 11 11 SER N N 15 115.719 0.3 . 1 . . . . . 11 SER N . 27262 1 69 . 1 1 12 12 GLY H H 1 8.456 0.020 . 1 . . . . . 12 GLY H . 27262 1 70 . 1 1 12 12 GLY HA2 H 1 3.935 0.020 . 1 . . . . . 12 GLY HA2 . 27262 1 71 . 1 1 12 12 GLY HA3 H 1 3.935 0.020 . 1 . . . . . 12 GLY HA3 . 27262 1 72 . 1 1 12 12 GLY C C 13 174.452 0.3 . 1 . . . . . 12 GLY C . 27262 1 73 . 1 1 12 12 GLY CA C 13 45.481 0.3 . 1 . . . . . 12 GLY CA . 27262 1 74 . 1 1 12 12 GLY N N 15 110.963 0.3 . 1 . . . . . 12 GLY N . 27262 1 75 . 1 1 13 13 THR H H 1 8.020 0.020 . 1 . . . . . 13 THR H . 27262 1 76 . 1 1 13 13 THR HA H 1 4.362 0.020 . 1 . . . . . 13 THR HA . 27262 1 77 . 1 1 13 13 THR C C 13 175.011 0.3 . 1 . . . . . 13 THR C . 27262 1 78 . 1 1 13 13 THR CA C 13 61.865 0.3 . 1 . . . . . 13 THR CA . 27262 1 79 . 1 1 13 13 THR CB C 13 69.814 0.3 . 1 . . . . . 13 THR CB . 27262 1 80 . 1 1 13 13 THR N N 15 113.581 0.3 . 1 . . . . . 13 THR N . 27262 1 81 . 1 1 14 14 THR H H 1 8.206 0.020 . 1 . . . . . 14 THR H . 27262 1 82 . 1 1 14 14 THR HA H 1 4.378 0.020 . 1 . . . . . 14 THR HA . 27262 1 83 . 1 1 14 14 THR C C 13 174.884 0.3 . 1 . . . . . 14 THR C . 27262 1 84 . 1 1 14 14 THR CA C 13 61.865 0.3 . 1 . . . . . 14 THR CA . 27262 1 85 . 1 1 14 14 THR CB C 13 69.814 0.3 . 1 . . . . . 14 THR CB . 27262 1 86 . 1 1 14 14 THR N N 15 116.245 0.3 . 1 . . . . . 14 THR N . 27262 1 87 . 1 1 15 15 THR H H 1 8.126 0.020 . 1 . . . . . 15 THR H . 27262 1 88 . 1 1 15 15 THR HA H 1 4.271 0.020 . 1 . . . . . 15 THR HA . 27262 1 89 . 1 1 15 15 THR C C 13 175.214 0.3 . 1 . . . . . 15 THR C . 27262 1 90 . 1 1 15 15 THR CA C 13 62.008 0.3 . 1 . . . . . 15 THR CA . 27262 1 91 . 1 1 15 15 THR CB C 13 69.814 0.3 . 1 . . . . . 15 THR CB . 27262 1 92 . 1 1 15 15 THR N N 15 116.134 0.3 . 1 . . . . . 15 THR N . 27262 1 93 . 1 1 16 16 GLY H H 1 8.389 0.020 . 1 . . . . . 16 GLY H . 27262 1 94 . 1 1 16 16 GLY HA2 H 1 3.920 0.020 . 1 . . . . . 16 GLY HA2 . 27262 1 95 . 1 1 16 16 GLY HA3 H 1 3.920 0.020 . 1 . . . . . 16 GLY HA3 . 27262 1 96 . 1 1 16 16 GLY C C 13 174.223 0.3 . 1 . . . . . 16 GLY C . 27262 1 97 . 1 1 16 16 GLY CA C 13 45.450 0.3 . 1 . . . . . 16 GLY CA . 27262 1 98 . 1 1 16 16 GLY N N 15 111.399 0.3 . 1 . . . . . 16 GLY N . 27262 1 99 . 1 1 17 17 CYS H H 1 8.200 0.020 . 1 . . . . . 17 CYS H . 27262 1 100 . 1 1 17 17 CYS HA H 1 4.683 0.020 . 1 . . . . . 17 CYS HA . 27262 1 101 . 1 1 17 17 CYS HB2 H 1 2.854 0.020 . 1 . . . . . 17 CYS HB2 . 27262 1 102 . 1 1 17 17 CYS HB3 H 1 2.854 0.020 . 1 . . . . . 17 CYS HB3 . 27262 1 103 . 1 1 17 17 CYS C C 13 175.036 0.3 . 1 . . . . . 17 CYS C . 27262 1 104 . 1 1 17 17 CYS CA C 13 58.529 0.3 . 1 . . . . . 17 CYS CA . 27262 1 105 . 1 1 17 17 CYS CB C 13 28.115 0.3 . 1 . . . . . 17 CYS CB . 27262 1 106 . 1 1 17 17 CYS N N 15 118.454 0.3 . 1 . . . . . 17 CYS N . 27262 1 107 . 1 1 18 18 GLY H H 1 8.434 0.020 . 1 . . . . . 18 GLY H . 27262 1 108 . 1 1 18 18 GLY HA2 H 1 3.859 0.020 . 1 . . . . . 18 GLY HA2 . 27262 1 109 . 1 1 18 18 GLY HA3 H 1 3.859 0.020 . 1 . . . . . 18 GLY HA3 . 27262 1 110 . 1 1 18 18 GLY C C 13 173.638 0.3 . 1 . . . . . 18 GLY C . 27262 1 111 . 1 1 18 18 GLY CA C 13 45.125 0.3 . 1 . . . . . 18 GLY CA . 27262 1 112 . 1 1 18 18 GLY N N 15 111.284 0.3 . 1 . . . . . 18 GLY N . 27262 1 113 . 1 1 19 19 LEU H H 1 7.999 0.020 . 1 . . . . . 19 LEU H . 27262 1 114 . 1 1 19 19 LEU HA H 1 4.515 0.020 . 1 . . . . . 19 LEU HA . 27262 1 115 . 1 1 19 19 LEU HB2 H 1 2.941 0.020 . 1 . . . . . 19 LEU HB2 . 27262 1 116 . 1 1 19 19 LEU N N 15 122.730 0.3 . 1 . . . . . 19 LEU N . 27262 1 117 . 1 1 21 21 SER H H 1 8.281 0.020 . 1 . . . . . 21 SER H . 27262 1 118 . 1 1 21 21 SER HA H 1 4.423 0.020 . 1 . . . . . 21 SER HA . 27262 1 119 . 1 1 21 21 SER HB2 H 1 3.827 0.020 . 1 . . . . . 21 SER HB2 . 27262 1 120 . 1 1 21 21 SER C C 13 175.672 0.3 . 1 . . . . . 21 SER C . 27262 1 121 . 1 1 21 21 SER CA C 13 57.472 0.3 . 1 . . . . . 21 SER CA . 27262 1 122 . 1 1 21 21 SER CB C 13 64.322 0.3 . 1 . . . . . 21 SER CB . 27262 1 123 . 1 1 21 21 SER N N 15 115.663 0.3 . 1 . . . . . 21 SER N . 27262 1 124 . 1 1 24 24 GLN H H 1 8.073 0.020 . 1 . . . . . 24 GLN H . 27262 1 125 . 1 1 24 24 GLN HA H 1 4.027 0.020 . 1 . . . . . 24 GLN HA . 27262 1 126 . 1 1 24 24 GLN CA C 13 58.102 0.3 . 1 . . . . . 24 GLN CA . 27262 1 127 . 1 1 24 24 GLN N N 15 120.531 0.3 . 1 . . . . . 24 GLN N . 27262 1 128 . 1 1 25 25 MET H H 1 8.026 0.020 . 1 . . . . . 25 MET H . 27262 1 129 . 1 1 25 25 MET HA H 1 3.950 0.020 . 1 . . . . . 25 MET HA . 27262 1 130 . 1 1 25 25 MET CA C 13 59.628 0.3 . 1 . . . . . 25 MET CA . 27262 1 131 . 1 1 25 25 MET CB C 13 29.132 0.3 . 1 . . . . . 25 MET CB . 27262 1 132 . 1 1 25 25 MET N N 15 120.884 0.3 . 1 . . . . . 25 MET N . 27262 1 133 . 1 1 26 26 LEU H H 1 8.114 0.020 . 1 . . . . . 26 LEU H . 27262 1 134 . 1 1 26 26 LEU HA H 1 4.027 0.020 . 1 . . . . . 26 LEU HA . 27262 1 135 . 1 1 26 26 LEU HB2 H 1 2.041 0.020 . 1 . . . . . 26 LEU HB2 . 27262 1 136 . 1 1 26 26 LEU C C 13 177.248 0.3 . 1 . . . . . 26 LEU C . 27262 1 137 . 1 1 26 26 LEU CA C 13 61.906 0.3 . 1 . . . . . 26 LEU CA . 27262 1 138 . 1 1 26 26 LEU CB C 13 38.184 0.3 . 1 . . . . . 26 LEU CB . 27262 1 139 . 1 1 26 26 LEU N N 15 121.279 0.3 . 1 . . . . . 26 LEU N . 27262 1 140 . 1 1 27 27 ALA H H 1 7.728 0.020 . 1 . . . . . 27 ALA H . 27262 1 141 . 1 1 27 27 ALA HA H 1 4.027 0.020 . 1 . . . . . 27 ALA HA . 27262 1 142 . 1 1 27 27 ALA HB1 H 1 1.330 0.020 . 1 . . . . . 27 ALA HB . 27262 1 143 . 1 1 27 27 ALA HB2 H 1 1.330 0.020 . 1 . . . . . 27 ALA HB . 27262 1 144 . 1 1 27 27 ALA HB3 H 1 1.330 0.020 . 1 . . . . . 27 ALA HB . 27262 1 145 . 1 1 27 27 ALA C C 13 178.494 0.3 . 1 . . . . . 27 ALA C . 27262 1 146 . 1 1 27 27 ALA CA C 13 53.607 0.3 . 1 . . . . . 27 ALA CA . 27262 1 147 . 1 1 27 27 ALA CB C 13 18.453 0.3 . 1 . . . . . 27 ALA CB . 27262 1 148 . 1 1 27 27 ALA N N 15 121.995 0.3 . 1 . . . . . 27 ALA N . 27262 1 149 . 1 1 28 28 ALA H H 1 7.578 0.020 . 1 . . . . . 28 ALA H . 27262 1 150 . 1 1 28 28 ALA HA H 1 4.179 0.020 . 1 . . . . . 28 ALA HA . 27262 1 151 . 1 1 28 28 ALA HB1 H 1 1.330 0.020 . 1 . . . . . 28 ALA HB . 27262 1 152 . 1 1 28 28 ALA HB2 H 1 1.330 0.020 . 1 . . . . . 28 ALA HB . 27262 1 153 . 1 1 28 28 ALA HB3 H 1 1.330 0.020 . 1 . . . . . 28 ALA HB . 27262 1 154 . 1 1 28 28 ALA C C 13 177.070 0.3 . 1 . . . . . 28 ALA C . 27262 1 155 . 1 1 28 28 ALA CA C 13 52.610 0.3 . 1 . . . . . 28 ALA CA . 27262 1 156 . 1 1 28 28 ALA CB C 13 19.165 0.3 . 1 . . . . . 28 ALA CB . 27262 1 157 . 1 1 28 28 ALA N N 15 118.962 0.3 . 1 . . . . . 28 ALA N . 27262 1 158 . 1 1 29 29 ASN H H 1 7.601 0.020 . 1 . . . . . 29 ASN H . 27262 1 159 . 1 1 29 29 ASN HA H 1 4.973 0.020 . 1 . . . . . 29 ASN HA . 27262 1 160 . 1 1 29 29 ASN HB2 H 1 2.564 0.020 . 1 . . . . . 29 ASN HB2 . 27262 1 161 . 1 1 29 29 ASN C C 13 171.986 0.3 . 1 . . . . . 29 ASN C . 27262 1 162 . 1 1 29 29 ASN CA C 13 51.329 0.3 . 1 . . . . . 29 ASN CA . 27262 1 163 . 1 1 29 29 ASN CB C 13 40.218 0.3 . 1 . . . . . 29 ASN CB . 27262 1 164 . 1 1 29 29 ASN N N 15 116.869 0.3 . 1 . . . . . 29 ASN N . 27262 1 165 . 1 1 31 31 GLY H H 1 8.468 0.020 . 1 . . . . . 31 GLY H . 27262 1 166 . 1 1 31 31 GLY HA2 H 1 3.828 0.020 . 1 . . . . . 31 GLY HA2 . 27262 1 167 . 1 1 31 31 GLY HA3 H 1 3.828 0.020 . 1 . . . . . 31 GLY HA3 . 27262 1 168 . 1 1 31 31 GLY C C 13 174.426 0.3 . 1 . . . . . 31 GLY C . 27262 1 169 . 1 1 31 31 GLY CA C 13 45.186 0.3 . 1 . . . . . 31 GLY CA . 27262 1 170 . 1 1 31 31 GLY N N 15 109.160 0.3 . 1 . . . . . 31 GLY N . 27262 1 171 . 1 1 32 32 LYS H H 1 7.711 0.020 . 1 . . . . . 32 LYS H . 27262 1 172 . 1 1 32 32 LYS HA H 1 4.439 0.020 . 1 . . . . . 32 LYS HA . 27262 1 173 . 1 1 32 32 LYS HB2 H 1 1.330 0.020 . 1 . . . . . 32 LYS HB2 . 27262 1 174 . 1 1 32 32 LYS C C 13 176.028 0.3 . 1 . . . . . 32 LYS C . 27262 1 175 . 1 1 32 32 LYS CA C 13 55.682 0.3 . 1 . . . . . 32 LYS CA . 27262 1 176 . 1 1 32 32 LYS CB C 13 29.030 0.3 . 1 . . . . . 32 LYS CB . 27262 1 177 . 1 1 32 32 LYS N N 15 120.310 0.3 . 1 . . . . . 32 LYS N . 27262 1 178 . 1 1 33 33 THR H H 1 8.161 0.020 . 1 . . . . . 33 THR H . 27262 1 179 . 1 1 33 33 THR HA H 1 4.637 0.020 . 1 . . . . . 33 THR HA . 27262 1 180 . 1 1 33 33 THR C C 13 173.435 0.3 . 1 . . . . . 33 THR C . 27262 1 181 . 1 1 33 33 THR CA C 13 59.343 0.3 . 1 . . . . . 33 THR CA . 27262 1 182 . 1 1 33 33 THR CB C 13 69.509 0.3 . 1 . . . . . 33 THR CB . 27262 1 183 . 1 1 33 33 THR N N 15 112.483 0.3 . 1 . . . . . 33 THR N . 27262 1 184 . 1 1 35 35 ILE H H 1 6.921 0.020 . 1 . . . . . 35 ILE H . 27262 1 185 . 1 1 35 35 ILE HA H 1 3.493 0.020 . 1 . . . . . 35 ILE HA . 27262 1 186 . 1 1 35 35 ILE N N 15 113.917 0.3 . 1 . . . . . 35 ILE N . 27262 1 187 . 1 1 36 36 SER H H 1 7.692 0.020 . 1 . . . . . 36 SER H . 27262 1 188 . 1 1 36 36 SER HA H 1 4.210 0.020 . 1 . . . . . 36 SER HA . 27262 1 189 . 1 1 36 36 SER HB2 H 1 3.870 0.020 . 1 . . . . . 36 SER HB2 . 27262 1 190 . 1 1 36 36 SER CA C 13 61.540 0.3 . 1 . . . . . 36 SER CA . 27262 1 191 . 1 1 36 36 SER N N 15 118.732 0.3 . 1 . . . . . 36 SER N . 27262 1 192 . 1 1 37 37 LEU H H 1 8.483 0.020 . 1 . . . . . 37 LEU H . 27262 1 193 . 1 1 37 37 LEU HA H 1 4.027 0.020 . 1 . . . . . 37 LEU HA . 27262 1 194 . 1 1 37 37 LEU CA C 13 61.611 0.3 . 1 . . . . . 37 LEU CA . 27262 1 195 . 1 1 37 37 LEU N N 15 123.761 0.3 . 1 . . . . . 37 LEU N . 27262 1 196 . 1 1 38 38 LEU H H 1 8.510 0.020 . 1 . . . . . 38 LEU H . 27262 1 197 . 1 1 38 38 LEU HA H 1 3.889 0.020 . 1 . . . . . 38 LEU HA . 27262 1 198 . 1 1 38 38 LEU C C 13 178.901 0.3 . 1 . . . . . 38 LEU C . 27262 1 199 . 1 1 38 38 LEU CA C 13 59.628 0.3 . 1 . . . . . 38 LEU CA . 27262 1 200 . 1 1 38 38 LEU CB C 13 29.132 0.3 . 1 . . . . . 38 LEU CB . 27262 1 201 . 1 1 38 38 LEU N N 15 121.286 0.3 . 1 . . . . . 38 LEU N . 27262 1 202 . 1 1 39 39 GLN H H 1 7.903 0.020 . 1 . . . . . 39 GLN H . 27262 1 203 . 1 1 39 39 GLN HA H 1 3.981 0.020 . 1 . . . . . 39 GLN HA . 27262 1 204 . 1 1 39 39 GLN C C 13 178.646 0.3 . 1 . . . . . 39 GLN C . 27262 1 205 . 1 1 39 39 GLN CA C 13 59.424 0.3 . 1 . . . . . 39 GLN CA . 27262 1 206 . 1 1 39 39 GLN CB C 13 27.810 0.3 . 1 . . . . . 39 GLN CB . 27262 1 207 . 1 1 39 39 GLN N N 15 120.031 0.3 . 1 . . . . . 39 GLN N . 27262 1 208 . 1 1 40 40 GLU H H 1 8.036 0.020 . 1 . . . . . 40 GLU H . 27262 1 209 . 1 1 40 40 GLU HA H 1 3.996 0.020 . 1 . . . . . 40 GLU HA . 27262 1 210 . 1 1 40 40 GLU HB2 H 1 1.635 0.020 . 1 . . . . . 40 GLU HB2 . 27262 1 211 . 1 1 40 40 GLU C C 13 179.079 0.3 . 1 . . . . . 40 GLU C . 27262 1 212 . 1 1 40 40 GLU CA C 13 59.628 0.3 . 1 . . . . . 40 GLU CA . 27262 1 213 . 1 1 40 40 GLU CB C 13 29.234 0.3 . 1 . . . . . 40 GLU CB . 27262 1 214 . 1 1 40 40 GLU N N 15 120.845 0.3 . 1 . . . . . 40 GLU N . 27262 1 215 . 1 1 41 41 TYR H H 1 8.114 0.020 . 1 . . . . . 41 TYR H . 27262 1 216 . 1 1 41 41 TYR HA H 1 4.012 0.020 . 1 . . . . . 41 TYR HA . 27262 1 217 . 1 1 41 41 TYR HB2 H 1 2.056 0.020 . 1 . . . . . 41 TYR HB2 . 27262 1 218 . 1 1 41 41 TYR C C 13 177.248 0.3 . 1 . . . . . 41 TYR C . 27262 1 219 . 1 1 41 41 TYR CA C 13 61.906 0.3 . 1 . . . . . 41 TYR CA . 27262 1 220 . 1 1 41 41 TYR CB C 13 38.184 0.3 . 1 . . . . . 41 TYR CB . 27262 1 221 . 1 1 41 41 TYR N N 15 121.317 0.3 . 1 . . . . . 41 TYR N . 27262 1 222 . 1 1 42 42 GLY H H 1 8.831 0.020 . 1 . . . . . 42 GLY H . 27262 1 223 . 1 1 42 42 GLY HA2 H 1 3.447 0.020 . 1 . . . . . 42 GLY HA2 . 27262 1 224 . 1 1 42 42 GLY HA3 H 1 3.447 0.020 . 1 . . . . . 42 GLY HA3 . 27262 1 225 . 1 1 42 42 GLY C C 13 176.562 0.3 . 1 . . . . . 42 GLY C . 27262 1 226 . 1 1 42 42 GLY CA C 13 47.301 0.3 . 1 . . . . . 42 GLY CA . 27262 1 227 . 1 1 42 42 GLY N N 15 105.931 0.3 . 1 . . . . . 42 GLY N . 27262 1 228 . 1 1 43 43 THR H H 1 8.394 0.020 . 1 . . . . . 43 THR H . 27262 1 229 . 1 1 43 43 THR HA H 1 4.179 0.020 . 1 . . . . . 43 THR HA . 27262 1 230 . 1 1 43 43 THR HB H 1 3.827 0.020 . 1 . . . . . 43 THR HB . 27262 1 231 . 1 1 43 43 THR CA C 13 66.666 0.3 . 1 . . . . . 43 THR CA . 27262 1 232 . 1 1 43 43 THR CB C 13 68.593 0.3 . 1 . . . . . 43 THR CB . 27262 1 233 . 1 1 43 43 THR N N 15 118.025 0.3 . 1 . . . . . 43 THR N . 27262 1 234 . 1 1 44 44 ARG H H 1 7.568 0.020 . 1 . . . . . 44 ARG H . 27262 1 235 . 1 1 44 44 ARG HA H 1 3.966 0.020 . 1 . . . . . 44 ARG HA . 27262 1 236 . 1 1 44 44 ARG C C 13 178.316 0.3 . 1 . . . . . 44 ARG C . 27262 1 237 . 1 1 44 44 ARG CA C 13 59.262 0.3 . 1 . . . . . 44 ARG CA . 27262 1 238 . 1 1 44 44 ARG N N 15 121.682 0.3 . 1 . . . . . 44 ARG N . 27262 1 239 . 1 1 45 45 ILE H H 1 7.346 0.020 . 1 . . . . . 45 ILE H . 27262 1 240 . 1 1 45 45 ILE HA H 1 4.378 0.020 . 1 . . . . . 45 ILE HA . 27262 1 241 . 1 1 45 45 ILE CA C 13 59.297 0.3 . 1 . . . . . 45 ILE CA . 27262 1 242 . 1 1 45 45 ILE N N 15 109.709 0.3 . 1 . . . . . 45 ILE N . 27262 1 243 . 1 1 46 46 GLY H H 1 7.670 0.020 . 1 . . . . . 46 GLY H . 27262 1 244 . 1 1 46 46 GLY HA2 H 1 3.752 0.020 . 1 . . . . . 46 GLY HA2 . 27262 1 245 . 1 1 46 46 GLY HA3 H 1 3.752 0.020 . 1 . . . . . 46 GLY HA3 . 27262 1 246 . 1 1 46 46 GLY C C 13 174.477 0.3 . 1 . . . . . 46 GLY C . 27262 1 247 . 1 1 46 46 GLY CA C 13 46.447 0.3 . 1 . . . . . 46 GLY CA . 27262 1 248 . 1 1 46 46 GLY N N 15 111.679 0.3 . 1 . . . . . 46 GLY N . 27262 1 249 . 1 1 47 47 LYS H H 1 8.213 0.020 . 1 . . . . . 47 LYS H . 27262 1 250 . 1 1 47 47 LYS HA H 1 4.622 0.020 . 1 . . . . . 47 LYS HA . 27262 1 251 . 1 1 47 47 LYS HB2 H 1 1.649 0.020 . 1 . . . . . 47 LYS HB2 . 27262 1 252 . 1 1 47 47 LYS C C 13 173.841 0.3 . 1 . . . . . 47 LYS C . 27262 1 253 . 1 1 47 47 LYS CA C 13 53.729 0.3 . 1 . . . . . 47 LYS CA . 27262 1 254 . 1 1 47 47 LYS N N 15 120.395 0.3 . 1 . . . . . 47 LYS N . 27262 1 255 . 1 1 48 48 THR H H 1 8.135 0.020 . 1 . . . . . 48 THR H . 27262 1 256 . 1 1 48 48 THR HA H 1 4.317 0.020 . 1 . . . . . 48 THR HA . 27262 1 257 . 1 1 48 48 THR HB H 1 3.914 0.020 . 1 . . . . . 48 THR HB . 27262 1 258 . 1 1 48 48 THR C C 13 173.155 0.3 . 1 . . . . . 48 THR C . 27262 1 259 . 1 1 48 48 THR CA C 13 60.604 0.3 . 1 . . . . . 48 THR CA . 27262 1 260 . 1 1 48 48 THR CB C 13 70.017 0.3 . 1 . . . . . 48 THR CB . 27262 1 261 . 1 1 48 48 THR N N 15 118.341 0.3 . 1 . . . . . 48 THR N . 27262 1 262 . 1 1 50 50 VAL H H 1 8.401 0.020 . 1 . . . . . 50 VAL H . 27262 1 263 . 1 1 50 50 VAL HA H 1 4.271 0.020 . 1 . . . . . 50 VAL HA . 27262 1 264 . 1 1 50 50 VAL HB H 1 0.880 0.020 . 1 . . . . . 50 VAL HB . 27262 1 265 . 1 1 50 50 VAL C C 13 175.392 0.3 . 1 . . . . . 50 VAL C . 27262 1 266 . 1 1 50 50 VAL CA C 13 61.540 0.3 . 1 . . . . . 50 VAL CA . 27262 1 267 . 1 1 50 50 VAL N N 15 124.084 0.3 . 1 . . . . . 50 VAL N . 27262 1 268 . 1 1 51 51 TYR H H 1 9.110 0.020 . 1 . . . . . 51 TYR H . 27262 1 269 . 1 1 51 51 TYR HA H 1 5.415 0.020 . 1 . . . . . 51 TYR HA . 27262 1 270 . 1 1 51 51 TYR HB2 H 1 2.811 0.020 . 1 . . . . . 51 TYR HB2 . 27262 1 271 . 1 1 51 51 TYR C C 13 175.392 0.3 . 1 . . . . . 51 TYR C . 27262 1 272 . 1 1 51 51 TYR CA C 13 57.309 0.3 . 1 . . . . . 51 TYR CA . 27262 1 273 . 1 1 51 51 TYR CB C 13 40.421 0.3 . 1 . . . . . 51 TYR CB . 27262 1 274 . 1 1 51 51 TYR N N 15 128.133 0.3 . 1 . . . . . 51 TYR N . 27262 1 275 . 1 1 52 52 ASP H H 1 9.444 0.020 . 1 . . . . . 52 ASP H . 27262 1 276 . 1 1 52 52 ASP HA H 1 4.973 0.020 . 1 . . . . . 52 ASP HA . 27262 1 277 . 1 1 52 52 ASP HB2 H 1 2.361 0.020 . 1 . . . . . 52 ASP HB2 . 27262 1 278 . 1 1 52 52 ASP C C 13 173.587 0.3 . 1 . . . . . 52 ASP C . 27262 1 279 . 1 1 52 52 ASP CA C 13 53.444 0.3 . 1 . . . . . 52 ASP CA . 27262 1 280 . 1 1 52 52 ASP CB C 13 44.896 0.3 . 1 . . . . . 52 ASP CB . 27262 1 281 . 1 1 52 52 ASP N N 15 122.229 0.3 . 1 . . . . . 52 ASP N . 27262 1 282 . 1 1 53 53 LEU H H 1 8.579 0.020 . 1 . . . . . 53 LEU H . 27262 1 283 . 1 1 53 53 LEU HA H 1 4.637 0.020 . 1 . . . . . 53 LEU HA . 27262 1 284 . 1 1 53 53 LEU CA C 13 53.399 0.3 . 1 . . . . . 53 LEU CA . 27262 1 285 . 1 1 53 53 LEU N N 15 127.157 0.3 . 1 . . . . . 53 LEU N . 27262 1 286 . 1 1 54 54 LEU H H 1 8.470 0.020 . 1 . . . . . 54 LEU H . 27262 1 287 . 1 1 54 54 LEU HA H 1 4.271 0.020 . 1 . . . . . 54 LEU HA . 27262 1 288 . 1 1 54 54 LEU HB2 H 1 1.359 0.020 . 1 . . . . . 54 LEU HB2 . 27262 1 289 . 1 1 54 54 LEU N N 15 128.957 0.3 . 1 . . . . . 54 LEU N . 27262 1 290 . 1 1 55 55 LYS H H 1 7.707 0.020 . 1 . . . . . 55 LYS H . 27262 1 291 . 1 1 55 55 LYS HA H 1 4.210 0.020 . 1 . . . . . 55 LYS HA . 27262 1 292 . 1 1 55 55 LYS C C 13 174.401 0.3 . 1 . . . . . 55 LYS C . 27262 1 293 . 1 1 55 55 LYS CA C 13 56.089 0.3 . 1 . . . . . 55 LYS CA . 27262 1 294 . 1 1 55 55 LYS CB C 13 34.929 0.3 . 1 . . . . . 55 LYS CB . 27262 1 295 . 1 1 55 55 LYS N N 15 118.432 0.3 . 1 . . . . . 55 LYS N . 27262 1 296 . 1 1 56 56 ALA H H 1 8.425 0.020 . 1 . . . . . 56 ALA H . 27262 1 297 . 1 1 56 56 ALA HA H 1 4.408 0.020 . 1 . . . . . 56 ALA HA . 27262 1 298 . 1 1 56 56 ALA HB1 H 1 1.214 0.020 . 1 . . . . . 56 ALA HB . 27262 1 299 . 1 1 56 56 ALA HB2 H 1 1.214 0.020 . 1 . . . . . 56 ALA HB . 27262 1 300 . 1 1 56 56 ALA HB3 H 1 1.214 0.020 . 1 . . . . . 56 ALA HB . 27262 1 301 . 1 1 56 56 ALA C C 13 176.206 0.3 . 1 . . . . . 56 ALA C . 27262 1 302 . 1 1 56 56 ALA CA C 13 51.603 0.3 . 1 . . . . . 56 ALA CA . 27262 1 303 . 1 1 56 56 ALA CB C 13 20.538 0.3 . 1 . . . . . 56 ALA CB . 27262 1 304 . 1 1 56 56 ALA N N 15 127.357 0.3 . 1 . . . . . 56 ALA N . 27262 1 305 . 1 1 57 57 GLU H H 1 8.103 0.020 . 1 . . . . . 57 GLU H . 27262 1 306 . 1 1 57 57 GLU HA H 1 4.408 0.020 . 1 . . . . . 57 GLU HA . 27262 1 307 . 1 1 57 57 GLU HB2 H 1 2.041 0.020 . 2 . . . . . 57 GLU HB2 . 27262 1 308 . 1 1 57 57 GLU HB3 H 1 1.809 0.020 . 2 . . . . . 57 GLU HB3 . 27262 1 309 . 1 1 57 57 GLU C C 13 176.485 0.3 . 1 . . . . . 57 GLU C . 27262 1 310 . 1 1 57 57 GLU CA C 13 55.336 0.3 . 1 . . . . . 57 GLU CA . 27262 1 311 . 1 1 57 57 GLU CB C 13 31.471 0.3 . 1 . . . . . 57 GLU CB . 27262 1 312 . 1 1 57 57 GLU N N 15 121.822 0.3 . 1 . . . . . 57 GLU N . 27262 1 313 . 1 1 58 58 GLY H H 1 8.358 0.020 . 1 . . . . . 58 GLY H . 27262 1 314 . 1 1 58 58 GLY HA2 H 1 3.905 0.020 . 1 . . . . . 58 GLY HA2 . 27262 1 315 . 1 1 58 58 GLY HA3 H 1 3.905 0.020 . 1 . . . . . 58 GLY HA3 . 27262 1 316 . 1 1 58 58 GLY C C 13 174.426 0.3 . 1 . . . . . 58 GLY C . 27262 1 317 . 1 1 58 58 GLY CA C 13 45.410 0.3 . 1 . . . . . 58 GLY CA . 27262 1 318 . 1 1 58 58 GLY N N 15 109.646 0.3 . 1 . . . . . 58 GLY N . 27262 1 319 . 1 1 59 59 GLN H H 1 8.144 0.020 . 1 . . . . . 59 GLN H . 27262 1 320 . 1 1 59 59 GLN HA H 1 4.668 0.020 . 1 . . . . . 59 GLN HA . 27262 1 321 . 1 1 59 59 GLN HB2 H 1 2.244 0.020 . 2 . . . . . 59 GLN HB2 . 27262 1 322 . 1 1 59 59 GLN HB3 H 1 1.780 0.020 . 2 . . . . . 59 GLN HB3 . 27262 1 323 . 1 1 59 59 GLN C C 13 176.231 0.3 . 1 . . . . . 59 GLN C . 27262 1 324 . 1 1 59 59 GLN CA C 13 56.007 0.3 . 1 . . . . . 59 GLN CA . 27262 1 325 . 1 1 59 59 GLN CB C 13 29.335 0.3 . 1 . . . . . 59 GLN CB . 27262 1 326 . 1 1 59 59 GLN N N 15 118.946 0.3 . 1 . . . . . 59 GLN N . 27262 1 327 . 1 1 60 60 ALA H H 1 8.182 0.020 . 1 . . . . . 60 ALA H . 27262 1 328 . 1 1 60 60 ALA HA H 1 4.683 0.020 . 1 . . . . . 60 ALA HA . 27262 1 329 . 1 1 60 60 ALA HB1 H 1 1.243 0.020 . 1 . . . . . 60 ALA HB . 27262 1 330 . 1 1 60 60 ALA HB2 H 1 1.243 0.020 . 1 . . . . . 60 ALA HB . 27262 1 331 . 1 1 60 60 ALA HB3 H 1 1.243 0.020 . 1 . . . . . 60 ALA HB . 27262 1 332 . 1 1 60 60 ALA CA C 13 53.322 0.3 . 1 . . . . . 60 ALA CA . 27262 1 333 . 1 1 60 60 ALA CB C 13 18.758 0.3 . 1 . . . . . 60 ALA CB . 27262 1 334 . 1 1 60 60 ALA N N 15 123.367 0.3 . 1 . . . . . 60 ALA N . 27262 1 335 . 1 1 61 61 HIS H H 1 8.336 0.020 . 1 . . . . . 61 HIS H . 27262 1 336 . 1 1 61 61 HIS HA H 1 4.683 0.020 . 1 . . . . . 61 HIS HA . 27262 1 337 . 1 1 61 61 HIS HB2 H 1 2.636 0.020 . 1 . . . . . 61 HIS HB2 . 27262 1 338 . 1 1 61 61 HIS C C 13 174.579 0.3 . 1 . . . . . 61 HIS C . 27262 1 339 . 1 1 61 61 HIS CA C 13 53.200 0.3 . 1 . . . . . 61 HIS CA . 27262 1 340 . 1 1 61 61 HIS CB C 13 38.692 0.3 . 1 . . . . . 61 HIS CB . 27262 1 341 . 1 1 61 61 HIS N N 15 118.009 0.3 . 1 . . . . . 61 HIS N . 27262 1 342 . 1 1 62 62 GLN H H 1 7.717 0.020 . 1 . . . . . 62 GLN H . 27262 1 343 . 1 1 62 62 GLN HA H 1 4.591 0.020 . 1 . . . . . 62 GLN HA . 27262 1 344 . 1 1 62 62 GLN HB2 H 1 2.114 0.020 . 2 . . . . . 62 GLN HB2 . 27262 1 345 . 1 1 62 62 GLN HB3 H 1 1.722 0.020 . 2 . . . . . 62 GLN HB3 . 27262 1 346 . 1 1 62 62 GLN CA C 13 53.444 0.3 . 1 . . . . . 62 GLN CA . 27262 1 347 . 1 1 62 62 GLN CB C 13 29.030 0.3 . 1 . . . . . 62 GLN CB . 27262 1 348 . 1 1 62 62 GLN N N 15 120.157 0.3 . 1 . . . . . 62 GLN N . 27262 1 349 . 1 1 64 64 ASN H H 1 7.685 0.020 . 1 . . . . . 64 ASN H . 27262 1 350 . 1 1 64 64 ASN HA H 1 4.668 0.020 . 1 . . . . . 64 ASN HA . 27262 1 351 . 1 1 64 64 ASN HB2 H 1 2.397 0.020 . 1 . . . . . 64 ASN HB2 . 27262 1 352 . 1 1 64 64 ASN C C 13 173.282 0.3 . 1 . . . . . 64 ASN C . 27262 1 353 . 1 1 64 64 ASN CA C 13 53.444 0.3 . 1 . . . . . 64 ASN CA . 27262 1 354 . 1 1 64 64 ASN CB C 13 41.235 0.3 . 1 . . . . . 64 ASN CB . 27262 1 355 . 1 1 64 64 ASN N N 15 117.090 0.3 . 1 . . . . . 64 ASN N . 27262 1 356 . 1 1 65 65 PHE H H 1 8.820 0.020 . 1 . . . . . 65 PHE H . 27262 1 357 . 1 1 65 65 PHE HA H 1 4.805 0.020 . 1 . . . . . 65 PHE HA . 27262 1 358 . 1 1 65 65 PHE HB2 H 1 2.694 0.020 . 1 . . . . . 65 PHE HB2 . 27262 1 359 . 1 1 65 65 PHE CA C 13 53.399 0.3 . 1 . . . . . 65 PHE CA . 27262 1 360 . 1 1 65 65 PHE N N 15 122.380 0.3 . 1 . . . . . 65 PHE N . 27262 1 361 . 1 1 66 66 THR H H 1 8.715 0.020 . 1 . . . . . 66 THR H . 27262 1 362 . 1 1 66 66 THR HA H 1 5.217 0.020 . 1 . . . . . 66 THR HA . 27262 1 363 . 1 1 66 66 THR HB H 1 3.812 0.020 . 1 . . . . . 66 THR HB . 27262 1 364 . 1 1 66 66 THR C C 13 173.765 0.3 . 1 . . . . . 66 THR C . 27262 1 365 . 1 1 66 66 THR CA C 13 61.865 0.3 . 1 . . . . . 66 THR CA . 27262 1 366 . 1 1 66 66 THR CB C 13 70.526 0.3 . 1 . . . . . 66 THR CB . 27262 1 367 . 1 1 66 66 THR N N 15 115.892 0.3 . 1 . . . . . 66 THR N . 27262 1 368 . 1 1 67 67 PHE H H 1 9.281 0.020 . 1 . . . . . 67 PHE H . 27262 1 369 . 1 1 67 67 PHE HA H 1 5.125 0.020 . 1 . . . . . 67 PHE HA . 27262 1 370 . 1 1 67 67 PHE HB2 H 1 2.680 0.020 . 1 . . . . . 67 PHE HB2 . 27262 1 371 . 1 1 67 67 PHE CA C 13 61.911 0.3 . 1 . . . . . 67 PHE CA . 27262 1 372 . 1 1 67 67 PHE N N 15 126.156 0.3 . 1 . . . . . 67 PHE N . 27262 1 373 . 1 1 68 68 ARG H H 1 9.329 0.020 . 1 . . . . . 68 ARG H . 27262 1 374 . 1 1 68 68 ARG HA H 1 5.125 0.020 . 1 . . . . . 68 ARG HA . 27262 1 375 . 1 1 68 68 ARG C C 13 174.985 0.3 . 1 . . . . . 68 ARG C . 27262 1 376 . 1 1 68 68 ARG CA C 13 54.055 0.3 . 1 . . . . . 68 ARG CA . 27262 1 377 . 1 1 68 68 ARG CB C 13 34.014 0.3 . 1 . . . . . 68 ARG CB . 27262 1 378 . 1 1 68 68 ARG N N 15 121.134 0.3 . 1 . . . . . 68 ARG N . 27262 1 379 . 1 1 69 69 VAL H H 1 9.160 0.020 . 1 . . . . . 69 VAL H . 27262 1 380 . 1 1 69 69 VAL HA H 1 5.034 0.020 . 1 . . . . . 69 VAL HA . 27262 1 381 . 1 1 69 69 VAL C C 13 172.494 0.3 . 1 . . . . . 69 VAL C . 27262 1 382 . 1 1 69 69 VAL CA C 13 58.407 0.3 . 1 . . . . . 69 VAL CA . 27262 1 383 . 1 1 69 69 VAL N N 15 125.790 0.3 . 1 . . . . . 69 VAL N . 27262 1 384 . 1 1 70 70 THR H H 1 8.388 0.020 . 1 . . . . . 70 THR H . 27262 1 385 . 1 1 70 70 THR HA H 1 4.942 0.020 . 1 . . . . . 70 THR HA . 27262 1 386 . 1 1 70 70 THR HB H 1 3.682 0.020 . 1 . . . . . 70 THR HB . 27262 1 387 . 1 1 70 70 THR C C 13 173.969 0.3 . 1 . . . . . 70 THR C . 27262 1 388 . 1 1 70 70 THR CA C 13 61.337 0.3 . 1 . . . . . 70 THR CA . 27262 1 389 . 1 1 70 70 THR CB C 13 70.933 0.3 . 1 . . . . . 70 THR CB . 27262 1 390 . 1 1 70 70 THR N N 15 123.689 0.3 . 1 . . . . . 70 THR N . 27262 1 391 . 1 1 71 71 VAL H H 1 8.961 0.020 . 1 . . . . . 71 VAL H . 27262 1 392 . 1 1 71 71 VAL HA H 1 4.027 0.020 . 1 . . . . . 71 VAL HA . 27262 1 393 . 1 1 71 71 VAL HB H 1 1.867 0.020 . 1 . . . . . 71 VAL HB . 27262 1 394 . 1 1 71 71 VAL C C 13 175.570 0.3 . 1 . . . . . 71 VAL C . 27262 1 395 . 1 1 71 71 VAL CA C 13 60.197 0.3 . 1 . . . . . 71 VAL CA . 27262 1 396 . 1 1 71 71 VAL N N 15 126.436 0.3 . 1 . . . . . 71 VAL N . 27262 1 397 . 1 1 72 72 GLY H H 1 9.070 0.020 . 1 . . . . . 72 GLY H . 27262 1 398 . 1 1 72 72 GLY HA2 H 1 3.844 0.020 . 1 . . . . . 72 GLY HA2 . 27262 1 399 . 1 1 72 72 GLY HA3 H 1 3.844 0.020 . 1 . . . . . 72 GLY HA3 . 27262 1 400 . 1 1 72 72 GLY C C 13 174.070 0.3 . 1 . . . . . 72 GLY C . 27262 1 401 . 1 1 72 72 GLY CA C 13 47.240 0.3 . 1 . . . . . 72 GLY CA . 27262 1 402 . 1 1 72 72 GLY N N 15 117.300 0.3 . 1 . . . . . 72 GLY N . 27262 1 403 . 1 1 73 73 ASP H H 1 8.614 0.020 . 1 . . . . . 73 ASP H . 27262 1 404 . 1 1 73 73 ASP HA H 1 4.668 0.020 . 1 . . . . . 73 ASP HA . 27262 1 405 . 1 1 73 73 ASP HB2 H 1 2.636 0.020 . 1 . . . . . 73 ASP HB2 . 27262 1 406 . 1 1 73 73 ASP C C 13 175.824 0.3 . 1 . . . . . 73 ASP C . 27262 1 407 . 1 1 73 73 ASP CA C 13 54.624 0.3 . 1 . . . . . 73 ASP CA . 27262 1 408 . 1 1 73 73 ASP CB C 13 40.828 0.3 . 1 . . . . . 73 ASP CB . 27262 1 409 . 1 1 73 73 ASP N N 15 126.753 0.3 . 1 . . . . . 73 ASP N . 27262 1 410 . 1 1 74 74 THR H H 1 7.813 0.020 . 1 . . . . . 74 THR H . 27262 1 411 . 1 1 74 74 THR HA H 1 4.286 0.020 . 1 . . . . . 74 THR HA . 27262 1 412 . 1 1 74 74 THR HB H 1 4.030 0.020 . 1 . . . . . 74 THR HB . 27262 1 413 . 1 1 74 74 THR C C 13 172.647 0.3 . 1 . . . . . 74 THR C . 27262 1 414 . 1 1 74 74 THR CA C 13 63.045 0.3 . 1 . . . . . 74 THR CA . 27262 1 415 . 1 1 74 74 THR CB C 13 70.119 0.3 . 1 . . . . . 74 THR CB . 27262 1 416 . 1 1 74 74 THR N N 15 118.616 0.3 . 1 . . . . . 74 THR N . 27262 1 417 . 1 1 75 75 SER H H 1 8.466 0.020 . 1 . . . . . 75 SER H . 27262 1 418 . 1 1 75 75 SER HA H 1 5.598 0.020 . 1 . . . . . 75 SER HA . 27262 1 419 . 1 1 75 75 SER HB2 H 1 3.522 0.020 . 2 . . . . . 75 SER HB2 . 27262 1 420 . 1 1 75 75 SER HB3 H 1 3.538 0.020 . 2 . . . . . 75 SER HB3 . 27262 1 421 . 1 1 75 75 SER C C 13 174.045 0.3 . 1 . . . . . 75 SER C . 27262 1 422 . 1 1 75 75 SER CA C 13 56.740 0.3 . 1 . . . . . 75 SER CA . 27262 1 423 . 1 1 75 75 SER CB C 13 65.339 0.3 . 1 . . . . . 75 SER CB . 27262 1 424 . 1 1 75 75 SER N N 15 121.517 0.3 . 1 . . . . . 75 SER N . 27262 1 425 . 1 1 76 76 CYS H H 1 8.768 0.020 . 1 . . . . . 76 CYS H . 27262 1 426 . 1 1 76 76 CYS HA H 1 4.851 0.020 . 1 . . . . . 76 CYS HA . 27262 1 427 . 1 1 76 76 CYS HB2 H 1 2.970 0.020 . 2 . . . . . 76 CYS HB2 . 27262 1 428 . 1 1 76 76 CYS HB3 H 1 2.419 0.020 . 2 . . . . . 76 CYS HB3 . 27262 1 429 . 1 1 76 76 CYS C C 13 172.621 0.3 . 1 . . . . . 76 CYS C . 27262 1 430 . 1 1 76 76 CYS CA C 13 56.821 0.3 . 1 . . . . . 76 CYS CA . 27262 1 431 . 1 1 76 76 CYS CB C 13 32.692 0.3 . 1 . . . . . 76 CYS CB . 27262 1 432 . 1 1 76 76 CYS N N 15 121.180 0.3 . 1 . . . . . 76 CYS N . 27262 1 433 . 1 1 77 77 THR H H 1 8.326 0.020 . 1 . . . . . 77 THR H . 27262 1 434 . 1 1 77 77 THR HA H 1 5.720 0.020 . 1 . . . . . 77 THR HA . 27262 1 435 . 1 1 77 77 THR C C 13 173.918 0.3 . 1 . . . . . 77 THR C . 27262 1 436 . 1 1 77 77 THR CA C 13 59.516 0.3 . 1 . . . . . 77 THR CA . 27262 1 437 . 1 1 77 77 THR CB C 13 72.153 0.3 . 1 . . . . . 77 THR CB . 27262 1 438 . 1 1 77 77 THR N N 15 110.441 0.3 . 1 . . . . . 77 THR N . 27262 1 439 . 1 1 78 78 GLY H H 1 8.789 0.020 . 1 . . . . . 78 GLY H . 27262 1 440 . 1 1 78 78 GLY HA2 H 1 4.469 0.020 . 1 . . . . . 78 GLY HA2 . 27262 1 441 . 1 1 78 78 GLY HA3 H 1 4.469 0.020 . 1 . . . . . 78 GLY HA3 . 27262 1 442 . 1 1 78 78 GLY C C 13 170.994 0.3 . 1 . . . . . 78 GLY C . 27262 1 443 . 1 1 78 78 GLY CA C 13 44.555 0.3 . 1 . . . . . 78 GLY CA . 27262 1 444 . 1 1 78 78 GLY N N 15 105.330 0.3 . 1 . . . . . 78 GLY N . 27262 1 445 . 1 1 79 79 GLN H H 1 8.019 0.020 . 1 . . . . . 79 GLN H . 27262 1 446 . 1 1 79 79 GLN HA H 1 4.195 0.020 . 1 . . . . . 79 GLN HA . 27262 1 447 . 1 1 79 79 GLN HB2 H 1 2.215 0.020 . 2 . . . . . 79 GLN HB2 . 27262 1 448 . 1 1 79 79 GLN HB3 H 1 1.881 0.020 . 2 . . . . . 79 GLN HB3 . 27262 1 449 . 1 1 79 79 GLN C C 13 176.104 0.3 . 1 . . . . . 79 GLN C . 27262 1 450 . 1 1 79 79 GLN CA C 13 53.607 0.3 . 1 . . . . . 79 GLN CA . 27262 1 451 . 1 1 79 79 GLN CB C 13 33.200 0.3 . 1 . . . . . 79 GLN CB . 27262 1 452 . 1 1 79 79 GLN N N 15 119.167 0.3 . 1 . . . . . 79 GLN N . 27262 1 453 . 1 1 80 80 GLY H H 1 8.543 0.020 . 1 . . . . . 80 GLY H . 27262 1 454 . 1 1 80 80 GLY HA2 H 1 3.783 0.020 . 1 . . . . . 80 GLY HA2 . 27262 1 455 . 1 1 80 80 GLY HA3 H 1 3.783 0.020 . 1 . . . . . 80 GLY HA3 . 27262 1 456 . 1 1 80 80 GLY C C 13 171.299 0.3 . 1 . . . . . 80 GLY C . 27262 1 457 . 1 1 80 80 GLY CA C 13 45.979 0.3 . 1 . . . . . 80 GLY CA . 27262 1 458 . 1 1 80 80 GLY N N 15 106.373 0.3 . 1 . . . . . 80 GLY N . 27262 1 459 . 1 1 82 82 SER H H 1 7.416 0.020 . 1 . . . . . 82 SER H . 27262 1 460 . 1 1 82 82 SER HA H 1 4.607 0.020 . 1 . . . . . 82 SER HA . 27262 1 461 . 1 1 82 82 SER C C 13 173.892 0.3 . 1 . . . . . 82 SER C . 27262 1 462 . 1 1 82 82 SER CA C 13 55.845 0.3 . 1 . . . . . 82 SER CA . 27262 1 463 . 1 1 82 82 SER CB C 13 66.559 0.3 . 1 . . . . . 82 SER CB . 27262 1 464 . 1 1 82 82 SER N N 15 111.625 0.3 . 1 . . . . . 82 SER N . 27262 1 465 . 1 1 83 83 LYS H H 1 8.566 0.020 . 1 . . . . . 83 LYS H . 27262 1 466 . 1 1 83 83 LYS HA H 1 4.683 0.020 . 1 . . . . . 83 LYS HA . 27262 1 467 . 1 1 83 83 LYS C C 13 175.672 0.3 . 1 . . . . . 83 LYS C . 27262 1 468 . 1 1 83 83 LYS CA C 13 57.431 0.3 . 1 . . . . . 83 LYS CA . 27262 1 469 . 1 1 83 83 LYS N N 15 123.531 0.3 . 1 . . . . . 83 LYS N . 27262 1 470 . 1 1 84 84 LYS H H 1 8.077 0.020 . 1 . . . . . 84 LYS H . 27262 1 471 . 1 1 84 84 LYS HA H 1 4.683 0.020 . 1 . . . . . 84 LYS HA . 27262 1 472 . 1 1 84 84 LYS C C 13 178.138 0.3 . 1 . . . . . 84 LYS C . 27262 1 473 . 1 1 84 84 LYS CA C 13 59.669 0.3 . 1 . . . . . 84 LYS CA . 27262 1 474 . 1 1 84 84 LYS N N 15 117.904 0.3 . 1 . . . . . 84 LYS N . 27262 1 475 . 1 1 85 85 ALA H H 1 7.852 0.020 . 1 . . . . . 85 ALA H . 27262 1 476 . 1 1 85 85 ALA HA H 1 3.935 0.020 . 1 . . . . . 85 ALA HA . 27262 1 477 . 1 1 85 85 ALA HB1 H 1 1.373 0.020 . 1 . . . . . 85 ALA HB . 27262 1 478 . 1 1 85 85 ALA HB2 H 1 1.373 0.020 . 1 . . . . . 85 ALA HB . 27262 1 479 . 1 1 85 85 ALA HB3 H 1 1.373 0.020 . 1 . . . . . 85 ALA HB . 27262 1 480 . 1 1 85 85 ALA C C 13 180.680 0.3 . 1 . . . . . 85 ALA C . 27262 1 481 . 1 1 85 85 ALA CA C 13 54.787 0.3 . 1 . . . . . 85 ALA CA . 27262 1 482 . 1 1 85 85 ALA CB C 13 18.555 0.3 . 1 . . . . . 85 ALA CB . 27262 1 483 . 1 1 85 85 ALA N N 15 120.029 0.3 . 1 . . . . . 85 ALA N . 27262 1 484 . 1 1 86 86 ALA H H 1 8.089 0.020 . 1 . . . . . 86 ALA H . 27262 1 485 . 1 1 86 86 ALA HA H 1 3.966 0.020 . 1 . . . . . 86 ALA HA . 27262 1 486 . 1 1 86 86 ALA C C 13 178.087 0.3 . 1 . . . . . 86 ALA C . 27262 1 487 . 1 1 86 86 ALA CA C 13 55.234 0.3 . 1 . . . . . 86 ALA CA . 27262 1 488 . 1 1 86 86 ALA CB C 13 19.928 0.3 . 1 . . . . . 86 ALA CB . 27262 1 489 . 1 1 86 86 ALA N N 15 120.851 0.3 . 1 . . . . . 86 ALA N . 27262 1 490 . 1 1 87 87 LYS H H 1 7.843 0.020 . 1 . . . . . 87 LYS H . 27262 1 491 . 1 1 87 87 LYS HA H 1 3.905 0.020 . 1 . . . . . 87 LYS HA . 27262 1 492 . 1 1 87 87 LYS CA C 13 60.767 0.3 . 1 . . . . . 87 LYS CA . 27262 1 493 . 1 1 87 87 LYS CB C 13 32.285 0.3 . 1 . . . . . 87 LYS CB . 27262 1 494 . 1 1 87 87 LYS N N 15 119.261 0.3 . 1 . . . . . 87 LYS N . 27262 1 495 . 1 1 88 88 HIS H H 1 8.022 0.020 . 1 . . . . . 88 HIS H . 27262 1 496 . 1 1 88 88 HIS HA H 1 4.683 0.020 . 1 . . . . . 88 HIS HA . 27262 1 497 . 1 1 88 88 HIS C C 13 175.850 0.3 . 1 . . . . . 88 HIS C . 27262 1 498 . 1 1 88 88 HIS CA C 13 45.552 0.3 . 1 . . . . . 88 HIS CA . 27262 1 499 . 1 1 88 88 HIS CB C 13 33.404 0.3 . 1 . . . . . 88 HIS CB . 27262 1 500 . 1 1 88 88 HIS N N 15 119.546 0.3 . 1 . . . . . 88 HIS N . 27262 1 501 . 1 1 89 89 LYS H H 1 8.025 0.020 . 1 . . . . . 89 LYS H . 27262 1 502 . 1 1 89 89 LYS HA H 1 4.652 0.020 . 1 . . . . . 89 LYS HA . 27262 1 503 . 1 1 89 89 LYS HB2 H 1 2.215 0.020 . 2 . . . . . 89 LYS HB2 . 27262 1 504 . 1 1 89 89 LYS HB3 H 1 1.867 0.020 . 2 . . . . . 89 LYS HB3 . 27262 1 505 . 1 1 89 89 LYS CA C 13 55.804 0.3 . 1 . . . . . 89 LYS CA . 27262 1 506 . 1 1 89 89 LYS CB C 13 29.335 0.3 . 1 . . . . . 89 LYS CB . 27262 1 507 . 1 1 89 89 LYS N N 15 119.152 0.3 . 1 . . . . . 89 LYS N . 27262 1 508 . 1 1 90 90 ALA H H 1 8.313 0.020 . 1 . . . . . 90 ALA H . 27262 1 509 . 1 1 90 90 ALA HA H 1 4.225 0.020 . 1 . . . . . 90 ALA HA . 27262 1 510 . 1 1 90 90 ALA C C 13 178.468 0.3 . 1 . . . . . 90 ALA C . 27262 1 511 . 1 1 90 90 ALA CA C 13 55.560 0.3 . 1 . . . . . 90 ALA CA . 27262 1 512 . 1 1 90 90 ALA CB C 13 17.029 0.3 . 1 . . . . . 90 ALA CB . 27262 1 513 . 1 1 90 90 ALA N N 15 121.589 0.3 . 1 . . . . . 90 ALA N . 27262 1 514 . 1 1 91 91 ALA H H 1 7.889 0.020 . 1 . . . . . 91 ALA H . 27262 1 515 . 1 1 91 91 ALA HA H 1 3.889 0.020 . 1 . . . . . 91 ALA HA . 27262 1 516 . 1 1 91 91 ALA HB1 H 1 1.446 0.020 . 1 . . . . . 91 ALA HB . 27262 1 517 . 1 1 91 91 ALA HB2 H 1 1.446 0.020 . 1 . . . . . 91 ALA HB . 27262 1 518 . 1 1 91 91 ALA HB3 H 1 1.446 0.020 . 1 . . . . . 91 ALA HB . 27262 1 519 . 1 1 91 91 ALA C C 13 179.053 0.3 . 1 . . . . . 91 ALA C . 27262 1 520 . 1 1 91 91 ALA CA C 13 55.275 0.3 . 1 . . . . . 91 ALA CA . 27262 1 521 . 1 1 91 91 ALA CB C 13 18.046 0.3 . 1 . . . . . 91 ALA CB . 27262 1 522 . 1 1 91 91 ALA N N 15 117.870 0.3 . 1 . . . . . 91 ALA N . 27262 1 523 . 1 1 92 92 GLU H H 1 8.352 0.020 . 1 . . . . . 92 GLU H . 27262 1 524 . 1 1 92 92 GLU HA H 1 4.134 0.020 . 1 . . . . . 92 GLU HA . 27262 1 525 . 1 1 92 92 GLU C C 13 179.155 0.3 . 1 . . . . . 92 GLU C . 27262 1 526 . 1 1 92 92 GLU CA C 13 60.197 0.3 . 1 . . . . . 92 GLU CA . 27262 1 527 . 1 1 92 92 GLU CB C 13 30.251 0.3 . 1 . . . . . 92 GLU CB . 27262 1 528 . 1 1 92 92 GLU N N 15 118.884 0.3 . 1 . . . . . 92 GLU N . 27262 1 529 . 1 1 93 93 VAL H H 1 8.418 0.020 . 1 . . . . . 93 VAL H . 27262 1 530 . 1 1 93 93 VAL CA C 13 66.788 0.3 . 1 . . . . . 93 VAL CA . 27262 1 531 . 1 1 93 93 VAL N N 15 120.772 0.3 . 1 . . . . . 93 VAL N . 27262 1 532 . 1 1 94 94 ALA H H 1 8.232 0.020 . 1 . . . . . 94 ALA H . 27262 1 533 . 1 1 94 94 ALA HA H 1 4.683 0.020 . 1 . . . . . 94 ALA HA . 27262 1 534 . 1 1 94 94 ALA HB1 H 1 1.257 0.020 . 1 . . . . . 94 ALA HB . 27262 1 535 . 1 1 94 94 ALA HB2 H 1 1.257 0.020 . 1 . . . . . 94 ALA HB . 27262 1 536 . 1 1 94 94 ALA HB3 H 1 1.257 0.020 . 1 . . . . . 94 ALA HB . 27262 1 537 . 1 1 94 94 ALA C C 13 179.689 0.3 . 1 . . . . . 94 ALA C . 27262 1 538 . 1 1 94 94 ALA CA C 13 55.722 0.3 . 1 . . . . . 94 ALA CA . 27262 1 539 . 1 1 94 94 ALA CB C 13 18.250 0.3 . 1 . . . . . 94 ALA CB . 27262 1 540 . 1 1 94 94 ALA N N 15 123.856 0.3 . 1 . . . . . 94 ALA N . 27262 1 541 . 1 1 95 95 LEU H H 1 8.415 0.020 . 1 . . . . . 95 LEU H . 27262 1 542 . 1 1 95 95 LEU CA C 13 55.722 0.3 . 1 . . . . . 95 LEU CA . 27262 1 543 . 1 1 95 95 LEU N N 15 118.011 0.3 . 1 . . . . . 95 LEU N . 27262 1 544 . 1 1 96 96 LYS H H 1 7.685 0.020 . 1 . . . . . 96 LYS H . 27262 1 545 . 1 1 96 96 LYS CA C 13 59.424 0.3 . 1 . . . . . 96 LYS CA . 27262 1 546 . 1 1 96 96 LYS N N 15 117.983 0.3 . 1 . . . . . 96 LYS N . 27262 1 547 . 1 1 97 97 HIS H H 1 7.903 0.020 . 1 . . . . . 97 HIS H . 27262 1 548 . 1 1 97 97 HIS CA C 13 58.041 0.3 . 1 . . . . . 97 HIS CA . 27262 1 549 . 1 1 97 97 HIS N N 15 119.729 0.3 . 1 . . . . . 97 HIS N . 27262 1 550 . 1 1 98 98 LEU H H 1 8.263 0.020 . 1 . . . . . 98 LEU H . 27262 1 551 . 1 1 98 98 LEU HA H 1 4.164 0.020 . 1 . . . . . 98 LEU HA . 27262 1 552 . 1 1 98 98 LEU HB2 H 1 2.186 0.020 . 2 . . . . . 98 LEU HB2 . 27262 1 553 . 1 1 98 98 LEU HB3 H 1 1.881 0.020 . 2 . . . . . 98 LEU HB3 . 27262 1 554 . 1 1 98 98 LEU CA C 13 56.943 0.3 . 1 . . . . . 98 LEU CA . 27262 1 555 . 1 1 98 98 LEU CB C 13 30.047 0.3 . 1 . . . . . 98 LEU CB . 27262 1 556 . 1 1 98 98 LEU N N 15 119.994 0.3 . 1 . . . . . 98 LEU N . 27262 1 557 . 1 1 99 99 LYS H H 1 7.864 0.020 . 1 . . . . . 99 LYS H . 27262 1 558 . 1 1 99 99 LYS HA H 1 4.057 0.020 . 1 . . . . . 99 LYS HA . 27262 1 559 . 1 1 99 99 LYS CA C 13 57.431 0.3 . 1 . . . . . 99 LYS CA . 27262 1 560 . 1 1 99 99 LYS CB C 13 32.285 0.3 . 1 . . . . . 99 LYS CB . 27262 1 561 . 1 1 99 99 LYS N N 15 118.746 0.3 . 1 . . . . . 99 LYS N . 27262 1 562 . 1 1 100 100 GLY H H 1 7.895 0.020 . 1 . . . . . 100 GLY H . 27262 1 563 . 1 1 100 100 GLY HA2 H 1 3.859 0.020 . 1 . . . . . 100 GLY HA2 . 27262 1 564 . 1 1 100 100 GLY HA3 H 1 3.859 0.020 . 1 . . . . . 100 GLY HA3 . 27262 1 565 . 1 1 100 100 GLY C C 13 174.808 0.3 . 1 . . . . . 100 GLY C . 27262 1 566 . 1 1 100 100 GLY CA C 13 45.715 0.3 . 1 . . . . . 100 GLY CA . 27262 1 567 . 1 1 100 100 GLY N N 15 107.714 0.3 . 1 . . . . . 100 GLY N . 27262 1 568 . 1 1 101 101 GLY H H 1 8.044 0.020 . 1 . . . . . 101 GLY H . 27262 1 569 . 1 1 101 101 GLY HA2 H 1 3.874 0.020 . 1 . . . . . 101 GLY HA2 . 27262 1 570 . 1 1 101 101 GLY HA3 H 1 3.874 0.020 . 1 . . . . . 101 GLY HA3 . 27262 1 571 . 1 1 101 101 GLY C C 13 174.274 0.3 . 1 . . . . . 101 GLY C . 27262 1 572 . 1 1 101 101 GLY CA C 13 45.420 0.3 . 1 . . . . . 101 GLY CA . 27262 1 573 . 1 1 101 101 GLY N N 15 108.348 0.3 . 1 . . . . . 101 GLY N . 27262 1 574 . 1 1 102 102 SER H H 1 8.106 0.020 . 1 . . . . . 102 SER H . 27262 1 575 . 1 1 102 102 SER HA H 1 4.347 0.020 . 1 . . . . . 102 SER HA . 27262 1 576 . 1 1 102 102 SER HB2 H 1 3.798 0.020 . 2 . . . . . 102 SER HB2 . 27262 1 577 . 1 1 102 102 SER HB3 H 1 3.786 0.020 . 2 . . . . . 102 SER HB3 . 27262 1 578 . 1 1 102 102 SER C C 13 174.680 0.3 . 1 . . . . . 102 SER C . 27262 1 579 . 1 1 102 102 SER CA C 13 58.570 0.3 . 1 . . . . . 102 SER CA . 27262 1 580 . 1 1 102 102 SER CB C 13 63.712 0.3 . 1 . . . . . 102 SER CB . 27262 1 581 . 1 1 102 102 SER N N 15 115.295 0.3 . 1 . . . . . 102 SER N . 27262 1 582 . 1 1 103 103 MET H H 1 8.296 0.020 . 1 . . . . . 103 MET H . 27262 1 583 . 1 1 103 103 MET HA H 1 4.698 0.020 . 1 . . . . . 103 MET HA . 27262 1 584 . 1 1 103 103 MET C C 13 175.011 0.3 . 1 . . . . . 103 MET C . 27262 1 585 . 1 1 103 103 MET CA C 13 58.519 0.3 . 1 . . . . . 103 MET CA . 27262 1 586 . 1 1 103 103 MET N N 15 121.234 0.3 . 1 . . . . . 103 MET N . 27262 1 587 . 1 1 104 104 LEU H H 1 8.013 0.020 . 1 . . . . . 104 LEU H . 27262 1 588 . 1 1 104 104 LEU HA H 1 4.240 0.020 . 1 . . . . . 104 LEU HA . 27262 1 589 . 1 1 104 104 LEU HB2 H 1 1.490 0.020 . 1 . . . . . 104 LEU HB2 . 27262 1 590 . 1 1 104 104 LEU C C 13 173.638 0.3 . 1 . . . . . 104 LEU C . 27262 1 591 . 1 1 104 104 LEU N N 15 122.132 0.3 . 1 . . . . . 104 LEU N . 27262 1 592 . 1 1 105 105 GLU H H 1 8.329 0.020 . 1 . . . . . 105 GLU H . 27262 1 593 . 1 1 105 105 GLU HA H 1 4.149 0.020 . 1 . . . . . 105 GLU HA . 27262 1 594 . 1 1 105 105 GLU HB2 H 1 2.186 0.020 . 2 . . . . . 105 GLU HB2 . 27262 1 595 . 1 1 105 105 GLU HB3 H 1 1.867 0.020 . 2 . . . . . 105 GLU HB3 . 27262 1 596 . 1 1 105 105 GLU C C 13 176.892 0.3 . 1 . . . . . 105 GLU C . 27262 1 597 . 1 1 105 105 GLU CA C 13 56.212 0.3 . 1 . . . . . 105 GLU CA . 27262 1 598 . 1 1 105 105 GLU N N 15 120.884 0.3 . 1 . . . . . 105 GLU N . 27262 1 599 . 1 1 107 107 ALA H H 1 8.266 0.020 . 1 . . . . . 107 ALA H . 27262 1 600 . 1 1 107 107 ALA HA H 1 4.256 0.020 . 1 . . . . . 107 ALA HA . 27262 1 601 . 1 1 107 107 ALA HB1 H 1 1.286 0.020 . 1 . . . . . 107 ALA HB . 27262 1 602 . 1 1 107 107 ALA HB2 H 1 1.286 0.020 . 1 . . . . . 107 ALA HB . 27262 1 603 . 1 1 107 107 ALA HB3 H 1 1.286 0.020 . 1 . . . . . 107 ALA HB . 27262 1 604 . 1 1 107 107 ALA C C 13 176.613 0.3 . 1 . . . . . 107 ALA C . 27262 1 605 . 1 1 107 107 ALA CA C 13 52.183 0.3 . 1 . . . . . 107 ALA CA . 27262 1 606 . 1 1 107 107 ALA CB C 13 19.165 0.3 . 1 . . . . . 107 ALA CB . 27262 1 607 . 1 1 107 107 ALA N N 15 125.163 0.3 . 1 . . . . . 107 ALA N . 27262 1 608 . 1 1 108 108 LEU H H 1 7.736 0.020 . 1 . . . . . 108 LEU H . 27262 1 609 . 1 1 108 108 LEU HA H 1 4.073 0.020 . 1 . . . . . 108 LEU HA . 27262 1 610 . 1 1 108 108 LEU HB2 H 1 1.490 0.020 . 1 . . . . . 108 LEU HB2 . 27262 1 611 . 1 1 108 108 LEU CA C 13 52.127 0.3 . 1 . . . . . 108 LEU CA . 27262 1 612 . 1 1 108 108 LEU N N 15 127.700 0.3 . 1 . . . . . 108 LEU N . 27262 1 stop_ save_