data_27062 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27062 _Entry.Title ; 1H, 13C and 15N NMR Assignments of a Bacterial Immunoglobulin- like Domain (group 2) of a Protein from a Bacterium Paenarthrobacter aurescens TC1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-02 _Entry.Accession_date 2017-04-02 _Entry.Last_release_date 2017-04-03 _Entry.Original_release_date 2017-04-03 _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 'Resonanve assignment of Arig2' 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 Deepshikha Verma . . . . 27062 2 Asmita Pawar . . . . 27062 3 Yogendra Sharma . . . . 27062 4 Kandala Chary . VR . . 27062 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Tata Institute Of Fundamental Research' . 27062 2 . 'CSIR-Center for Cellular and Molecular Biology' . 27062 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27062 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 27062 '15N chemical shifts' 113 27062 '1H chemical shifts' 684 27062 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 . . 2018-02-01 2017-04-02 update BMRB 'update entry citation' 27062 1 . . 2017-06-29 2017-04-02 original author 'original release' 27062 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 27062 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28593559 _Citation.Full_citation . _Citation.Title ; (1)H, (13)C and (15)N NMR assignments of a bacterial immunoglobulin-like domain (group 2) of a protein of a bacterium Paenarthrobacter aurescens TC1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 11 _Citation.Journal_issue 2 _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 203 _Citation.Page_last 206 _Citation.Year 2017 _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 Asmita Pawar A. D. . . 27062 1 2 Deepshikha Verma D. . . . 27062 1 3 Rajeev Raman R. . . . 27062 1 4 Yogendra Sharma Y. . . . 27062 1 5 Kandala Chary . . . . 27062 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Paenarthrobacter aurescens' 27062 1 Paig 27062 1 'TC1, Triple resonance assignments' 27062 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27062 _Assembly.ID 1 _Assembly.Name Arig2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13692.36 _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 Arig2 1 $Arig2 A . yes native no no . . . 27062 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Arig2 _Entity.Sf_category entity _Entity.Sf_framecode Arig2 _Entity.Entry_ID 27062 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Arig2 _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 ; TAMHSDVKGMLNLTVTDGPG LLTGLRIKPDQTTVSLGGTT QLIAEGTFSDNSIGNRNEPA IWESRNPGIATVDGLGMVTG MNPGVATISATEGTIQATAA ITVTDPGTPNPTVVPNGCVV DPATLRVHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 128-133 represent a non-native affinity tag' _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'BIG domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13692.36 _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 . THR . 27062 1 2 . ALA . 27062 1 3 . MET . 27062 1 4 . HIS . 27062 1 5 . SER . 27062 1 6 . ASP . 27062 1 7 . VAL . 27062 1 8 . LYS . 27062 1 9 . GLY . 27062 1 10 . MET . 27062 1 11 . LEU . 27062 1 12 . ASN . 27062 1 13 . LEU . 27062 1 14 . THR . 27062 1 15 . VAL . 27062 1 16 . THR . 27062 1 17 . ASP . 27062 1 18 . GLY . 27062 1 19 . PRO . 27062 1 20 . GLY . 27062 1 21 . LEU . 27062 1 22 . LEU . 27062 1 23 . THR . 27062 1 24 . GLY . 27062 1 25 . LEU . 27062 1 26 . ARG . 27062 1 27 . ILE . 27062 1 28 . LYS . 27062 1 29 . PRO . 27062 1 30 . ASP . 27062 1 31 . GLN . 27062 1 32 . THR . 27062 1 33 . THR . 27062 1 34 . VAL . 27062 1 35 . SER . 27062 1 36 . LEU . 27062 1 37 . GLY . 27062 1 38 . GLY . 27062 1 39 . THR . 27062 1 40 . THR . 27062 1 41 . GLN . 27062 1 42 . LEU . 27062 1 43 . ILE . 27062 1 44 . ALA . 27062 1 45 . GLU . 27062 1 46 . GLY . 27062 1 47 . THR . 27062 1 48 . PHE . 27062 1 49 . SER . 27062 1 50 . ASP . 27062 1 51 . ASN . 27062 1 52 . SER . 27062 1 53 . ILE . 27062 1 54 . GLY . 27062 1 55 . ASN . 27062 1 56 . ARG . 27062 1 57 . ASN . 27062 1 58 . GLU . 27062 1 59 . PRO . 27062 1 60 . ALA . 27062 1 61 . ILE . 27062 1 62 . TRP . 27062 1 63 . GLU . 27062 1 64 . SER . 27062 1 65 . ARG . 27062 1 66 . ASN . 27062 1 67 . PRO . 27062 1 68 . GLY . 27062 1 69 . ILE . 27062 1 70 . ALA . 27062 1 71 . THR . 27062 1 72 . VAL . 27062 1 73 . ASP . 27062 1 74 . GLY . 27062 1 75 . LEU . 27062 1 76 . GLY . 27062 1 77 . MET . 27062 1 78 . VAL . 27062 1 79 . THR . 27062 1 80 . GLY . 27062 1 81 . MET . 27062 1 82 . ASN . 27062 1 83 . PRO . 27062 1 84 . GLY . 27062 1 85 . VAL . 27062 1 86 . ALA . 27062 1 87 . THR . 27062 1 88 . ILE . 27062 1 89 . SER . 27062 1 90 . ALA . 27062 1 91 . THR . 27062 1 92 . GLU . 27062 1 93 . GLY . 27062 1 94 . THR . 27062 1 95 . ILE . 27062 1 96 . GLN . 27062 1 97 . ALA . 27062 1 98 . THR . 27062 1 99 . ALA . 27062 1 100 . ALA . 27062 1 101 . ILE . 27062 1 102 . THR . 27062 1 103 . VAL . 27062 1 104 . THR . 27062 1 105 . ASP . 27062 1 106 . PRO . 27062 1 107 . GLY . 27062 1 108 . THR . 27062 1 109 . PRO . 27062 1 110 . ASN . 27062 1 111 . PRO . 27062 1 112 . THR . 27062 1 113 . VAL . 27062 1 114 . VAL . 27062 1 115 . PRO . 27062 1 116 . ASN . 27062 1 117 . GLY . 27062 1 118 . CYS . 27062 1 119 . VAL . 27062 1 120 . VAL . 27062 1 121 . ASP . 27062 1 122 . PRO . 27062 1 123 . ALA . 27062 1 124 . THR . 27062 1 125 . LEU . 27062 1 126 . ARG . 27062 1 127 . VAL . 27062 1 128 . HIS . 27062 1 129 . HIS . 27062 1 130 . HIS . 27062 1 131 . HIS . 27062 1 132 . HIS . 27062 1 133 . HIS . 27062 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 . THR 1 1 27062 1 . ALA 2 2 27062 1 . MET 3 3 27062 1 . HIS 4 4 27062 1 . SER 5 5 27062 1 . ASP 6 6 27062 1 . VAL 7 7 27062 1 . LYS 8 8 27062 1 . GLY 9 9 27062 1 . MET 10 10 27062 1 . LEU 11 11 27062 1 . ASN 12 12 27062 1 . LEU 13 13 27062 1 . THR 14 14 27062 1 . VAL 15 15 27062 1 . THR 16 16 27062 1 . ASP 17 17 27062 1 . GLY 18 18 27062 1 . PRO 19 19 27062 1 . GLY 20 20 27062 1 . LEU 21 21 27062 1 . LEU 22 22 27062 1 . THR 23 23 27062 1 . GLY 24 24 27062 1 . LEU 25 25 27062 1 . ARG 26 26 27062 1 . ILE 27 27 27062 1 . LYS 28 28 27062 1 . PRO 29 29 27062 1 . ASP 30 30 27062 1 . GLN 31 31 27062 1 . THR 32 32 27062 1 . THR 33 33 27062 1 . VAL 34 34 27062 1 . SER 35 35 27062 1 . LEU 36 36 27062 1 . GLY 37 37 27062 1 . GLY 38 38 27062 1 . THR 39 39 27062 1 . THR 40 40 27062 1 . GLN 41 41 27062 1 . LEU 42 42 27062 1 . ILE 43 43 27062 1 . ALA 44 44 27062 1 . GLU 45 45 27062 1 . GLY 46 46 27062 1 . THR 47 47 27062 1 . PHE 48 48 27062 1 . SER 49 49 27062 1 . ASP 50 50 27062 1 . ASN 51 51 27062 1 . SER 52 52 27062 1 . ILE 53 53 27062 1 . GLY 54 54 27062 1 . ASN 55 55 27062 1 . ARG 56 56 27062 1 . ASN 57 57 27062 1 . GLU 58 58 27062 1 . PRO 59 59 27062 1 . ALA 60 60 27062 1 . ILE 61 61 27062 1 . TRP 62 62 27062 1 . GLU 63 63 27062 1 . SER 64 64 27062 1 . ARG 65 65 27062 1 . ASN 66 66 27062 1 . PRO 67 67 27062 1 . GLY 68 68 27062 1 . ILE 69 69 27062 1 . ALA 70 70 27062 1 . THR 71 71 27062 1 . VAL 72 72 27062 1 . ASP 73 73 27062 1 . GLY 74 74 27062 1 . LEU 75 75 27062 1 . GLY 76 76 27062 1 . MET 77 77 27062 1 . VAL 78 78 27062 1 . THR 79 79 27062 1 . GLY 80 80 27062 1 . MET 81 81 27062 1 . ASN 82 82 27062 1 . PRO 83 83 27062 1 . GLY 84 84 27062 1 . VAL 85 85 27062 1 . ALA 86 86 27062 1 . THR 87 87 27062 1 . ILE 88 88 27062 1 . SER 89 89 27062 1 . ALA 90 90 27062 1 . THR 91 91 27062 1 . GLU 92 92 27062 1 . GLY 93 93 27062 1 . THR 94 94 27062 1 . ILE 95 95 27062 1 . GLN 96 96 27062 1 . ALA 97 97 27062 1 . THR 98 98 27062 1 . ALA 99 99 27062 1 . ALA 100 100 27062 1 . ILE 101 101 27062 1 . THR 102 102 27062 1 . VAL 103 103 27062 1 . THR 104 104 27062 1 . ASP 105 105 27062 1 . PRO 106 106 27062 1 . GLY 107 107 27062 1 . THR 108 108 27062 1 . PRO 109 109 27062 1 . ASN 110 110 27062 1 . PRO 111 111 27062 1 . THR 112 112 27062 1 . VAL 113 113 27062 1 . VAL 114 114 27062 1 . PRO 115 115 27062 1 . ASN 116 116 27062 1 . GLY 117 117 27062 1 . CYS 118 118 27062 1 . VAL 119 119 27062 1 . VAL 120 120 27062 1 . ASP 121 121 27062 1 . PRO 122 122 27062 1 . ALA 123 123 27062 1 . THR 124 124 27062 1 . LEU 125 125 27062 1 . ARG 126 126 27062 1 . VAL 127 127 27062 1 . HIS 128 128 27062 1 . HIS 129 129 27062 1 . HIS 130 130 27062 1 . HIS 131 131 27062 1 . HIS 132 132 27062 1 . HIS 133 133 27062 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 27062 _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 $Arig2 . 43663 organism . 'Paenarthrobacter aurescens' 'Paenarthrobacter aurescens' . . Bacteria . Paenarthrobacter aurescens . . . . . . . . . . . AAUR_RS18065 . 27062 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 27062 _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 $Arig2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET21b . . . 27062 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27062 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Arig2 '[U-100% 15N]' . . 1 $Arig2 . . 0.8 . . mM . . . . 27062 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 27062 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27062 1 4 'Calcium chloride' 'natural abundance' . . . . . . 8 . . mM . . . . 27062 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27062 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Arig2 '[U-100% 13C; U-100% 15N]' . . 1 $Arig2 . . 0.8 . . mM . . . . 27062 2 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 27062 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27062 2 4 'Calcium chloride' 'natural abundance' . . . . . . 8 . . mM . . . . 27062 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27062 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Arig2 '[U-100% 13C; U-100% 15N]' . . 1 $Arig2 . . 0.8 . . mM . . . . 27062 3 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 27062 3 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27062 3 4 'Calcium chloride' 'natural abundance' . . . . . . 8 . . mM . . . . 27062 3 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 27062 _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' 0.062 . M 27062 1 pH 7.2 0.1 pH 27062 1 pressure 1 . atm 27062 1 temperature 298 0.1 K 27062 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27062 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUKER . . 27062 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27062 1 processing 27062 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27062 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27062 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27062 2 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 27062 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27062 _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 . 800 . . . 27062 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 27062 _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 . . . . . . . . . . . . . . . . 27062 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27062 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27062 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27062 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27062 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27062 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27062 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27062 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27062 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27062 1 11 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27062 1 12 '3D HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27062 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 27062 _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 . . . . . 27062 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27062 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27062 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 27062 _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' . . . 27062 1 2 '2D 1H-13C HSQC' . . . 27062 1 3 '3D CBCA(CO)NH' . . . 27062 1 4 '3D HNCO' . . . 27062 1 5 '3D HNCA' . . . 27062 1 6 '3D HNCACB' . . . 27062 1 7 '3D HN(CO)CA' . . . 27062 1 8 '3D 1H-15N NOESY' . . . 27062 1 9 '3D 1H-15N TOCSY' . . . 27062 1 10 '3D 1H-13C NOESY' . . . 27062 1 11 '3D HNHA' . . . 27062 1 12 '3D HNHB' . . . 27062 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 MET H H 1 8.224 0.02 . 1 . . . . . 3 MET H . 27062 1 2 . 1 1 3 3 MET HA H 1 4.574 0.02 . 1 . . . . . 3 MET HA . 27062 1 3 . 1 1 3 3 MET CA C 13 62.261 0.3 . 1 . . . . . 3 MET CA . 27062 1 4 . 1 1 3 3 MET CB C 13 32.644 0.3 . 1 . . . . . 3 MET CB . 27062 1 5 . 1 1 3 3 MET N N 15 122.77 0.3 . 1 . . . . . 3 MET N . 27062 1 6 . 1 1 4 4 HIS H H 1 8.198 0.02 . 1 . . . . . 4 HIS H . 27062 1 7 . 1 1 4 4 HIS HA H 1 4.325 0.02 . 1 . . . . . 4 HIS HA . 27062 1 8 . 1 1 4 4 HIS CA C 13 55.162 0.3 . 1 . . . . . 4 HIS CA . 27062 1 9 . 1 1 4 4 HIS N N 15 125.304 0.3 . 1 . . . . . 4 HIS N . 27062 1 10 . 1 1 5 5 SER H H 1 8.078 0.02 . 1 . . . . . 5 SER H . 27062 1 11 . 1 1 5 5 SER HA H 1 4.213 0.02 . 1 . . . . . 5 SER HA . 27062 1 12 . 1 1 5 5 SER HB2 H 1 3.524 0.02 . 1 . . . . . 5 SER HB2 . 27062 1 13 . 1 1 5 5 SER HB3 H 1 3.524 0.02 . 1 . . . . . 5 SER HB3 . 27062 1 14 . 1 1 5 5 SER CA C 13 57.342 0.3 . 1 . . . . . 5 SER CA . 27062 1 15 . 1 1 5 5 SER CB C 13 64.129 0.3 . 1 . . . . . 5 SER CB . 27062 1 16 . 1 1 5 5 SER N N 15 116.24 0.3 . 1 . . . . . 5 SER N . 27062 1 17 . 1 1 6 6 ASP H H 1 8.474 0.02 . 1 . . . . . 6 ASP H . 27062 1 18 . 1 1 6 6 ASP HA H 1 4.721 0.02 . 1 . . . . . 6 ASP HA . 27062 1 19 . 1 1 6 6 ASP HB2 H 1 2.646 0.02 . 1 . . . . . 6 ASP HB2 . 27062 1 20 . 1 1 6 6 ASP HB3 H 1 2.646 0.02 . 1 . . . . . 6 ASP HB3 . 27062 1 21 . 1 1 6 6 ASP CA C 13 54.222 0.3 . 1 . . . . . 6 ASP CA . 27062 1 22 . 1 1 6 6 ASP CB C 13 41.113 0.3 . 1 . . . . . 6 ASP CB . 27062 1 23 . 1 1 6 6 ASP N N 15 122.78 0.3 . 1 . . . . . 6 ASP N . 27062 1 24 . 1 1 8 8 LYS H H 1 8.279 0.02 . 1 . . . . . 8 LYS H . 27062 1 25 . 1 1 8 8 LYS HA H 1 4.193 0.02 . 1 . . . . . 8 LYS HA . 27062 1 26 . 1 1 8 8 LYS HB2 H 1 1.811 0.02 . 1 . . . . . 8 LYS HB2 . 27062 1 27 . 1 1 8 8 LYS HB3 H 1 1.811 0.02 . 1 . . . . . 8 LYS HB3 . 27062 1 28 . 1 1 8 8 LYS HG2 H 1 1.435 0.02 . 1 . . . . . 8 LYS HG2 . 27062 1 29 . 1 1 8 8 LYS HG3 H 1 1.435 0.02 . 1 . . . . . 8 LYS HG3 . 27062 1 30 . 1 1 8 8 LYS HE2 H 1 2.94 0.02 . 1 . . . . . 8 LYS HE2 . 27062 1 31 . 1 1 8 8 LYS HE3 H 1 2.94 0.02 . 1 . . . . . 8 LYS HE3 . 27062 1 32 . 1 1 8 8 LYS HZ1 H 1 7.083 0.02 . 1 . . . . . 8 LYS HZ . 27062 1 33 . 1 1 8 8 LYS HZ2 H 1 7.083 0.02 . 1 . . . . . 8 LYS HZ . 27062 1 34 . 1 1 8 8 LYS HZ3 H 1 7.083 0.02 . 1 . . . . . 8 LYS HZ . 27062 1 35 . 1 1 8 8 LYS C C 13 177.236 0.3 . 1 . . . . . 8 LYS C . 27062 1 36 . 1 1 8 8 LYS CA C 13 56.675 0.3 . 1 . . . . . 8 LYS CA . 27062 1 37 . 1 1 8 8 LYS CB C 13 32.63 0.3 . 1 . . . . . 8 LYS CB . 27062 1 38 . 1 1 8 8 LYS CG C 13 24.403 0.3 . 1 . . . . . 8 LYS CG . 27062 1 39 . 1 1 8 8 LYS CE C 13 41.77 0.3 . 1 . . . . . 8 LYS CE . 27062 1 40 . 1 1 8 8 LYS N N 15 124 0.3 . 1 . . . . . 8 LYS N . 27062 1 41 . 1 1 9 9 GLY H H 1 8.26 0.02 . 1 . . . . . 9 GLY H . 27062 1 42 . 1 1 9 9 GLY HA2 H 1 3.863 0.02 . 1 . . . . . 9 GLY HA2 . 27062 1 43 . 1 1 9 9 GLY HA3 H 1 3.863 0.02 . 1 . . . . . 9 GLY HA3 . 27062 1 44 . 1 1 9 9 GLY CA C 13 45.372 0.3 . 1 . . . . . 9 GLY CA . 27062 1 45 . 1 1 9 9 GLY N N 15 109.218 0.3 . 1 . . . . . 9 GLY N . 27062 1 46 . 1 1 10 10 MET H H 1 8.081 0.02 . 1 . . . . . 10 MET H . 27062 1 47 . 1 1 10 10 MET HA H 1 4.395 0.02 . 1 . . . . . 10 MET HA . 27062 1 48 . 1 1 10 10 MET HB2 H 1 2.022 0.02 . 1 . . . . . 10 MET HB2 . 27062 1 49 . 1 1 10 10 MET HB3 H 1 2.022 0.02 . 1 . . . . . 10 MET HB3 . 27062 1 50 . 1 1 10 10 MET HG2 H 1 2.506 0.02 . 1 . . . . . 10 MET HG2 . 27062 1 51 . 1 1 10 10 MET HG3 H 1 2.506 0.02 . 1 . . . . . 10 MET HG3 . 27062 1 52 . 1 1 10 10 MET C C 13 176.233 0.3 . 1 . . . . . 10 MET C . 27062 1 53 . 1 1 10 10 MET CA C 13 55.531 0.3 . 1 . . . . . 10 MET CA . 27062 1 54 . 1 1 10 10 MET CB C 13 32.751 0.3 . 1 . . . . . 10 MET CB . 27062 1 55 . 1 1 10 10 MET N N 15 119.51 0.3 . 1 . . . . . 10 MET N . 27062 1 56 . 1 1 11 11 LEU H H 1 8.146 0.02 . 1 . . . . . 11 LEU H . 27062 1 57 . 1 1 11 11 LEU HA H 1 4.279 0.02 . 1 . . . . . 11 LEU HA . 27062 1 58 . 1 1 11 11 LEU HB2 H 1 1.502 0.02 . 1 . . . . . 11 LEU HB2 . 27062 1 59 . 1 1 11 11 LEU HB3 H 1 1.502 0.02 . 1 . . . . . 11 LEU HB3 . 27062 1 60 . 1 1 11 11 LEU HD11 H 1 0.868 0.02 . 1 . . . . . 11 LEU HD1 . 27062 1 61 . 1 1 11 11 LEU HD12 H 1 0.868 0.02 . 1 . . . . . 11 LEU HD1 . 27062 1 62 . 1 1 11 11 LEU HD13 H 1 0.868 0.02 . 1 . . . . . 11 LEU HD1 . 27062 1 63 . 1 1 11 11 LEU HD21 H 1 0.868 0.02 . 1 . . . . . 11 LEU HD2 . 27062 1 64 . 1 1 11 11 LEU HD22 H 1 0.868 0.02 . 1 . . . . . 11 LEU HD2 . 27062 1 65 . 1 1 11 11 LEU HD23 H 1 0.868 0.02 . 1 . . . . . 11 LEU HD2 . 27062 1 66 . 1 1 11 11 LEU CA C 13 55.216 0.3 . 1 . . . . . 11 LEU CA . 27062 1 67 . 1 1 11 11 LEU CB C 13 42.327 0.3 . 1 . . . . . 11 LEU CB . 27062 1 68 . 1 1 11 11 LEU CD1 C 13 25.111 0.3 . 1 . . . . . 11 LEU CD1 . 27062 1 69 . 1 1 11 11 LEU CD2 C 13 25.111 0.3 . 1 . . . . . 11 LEU CD2 . 27062 1 70 . 1 1 11 11 LEU N N 15 122.452 0.3 . 1 . . . . . 11 LEU N . 27062 1 71 . 1 1 12 12 ASN H H 1 8.338 0.02 . 1 . . . . . 12 ASN H . 27062 1 72 . 1 1 12 12 ASN HA H 1 4.626 0.02 . 1 . . . . . 12 ASN HA . 27062 1 73 . 1 1 12 12 ASN HB2 H 1 2.771 0.02 . 1 . . . . . 12 ASN HB2 . 27062 1 74 . 1 1 12 12 ASN HB3 H 1 2.771 0.02 . 1 . . . . . 12 ASN HB3 . 27062 1 75 . 1 1 12 12 ASN CA C 13 53.065 0.3 . 1 . . . . . 12 ASN CA . 27062 1 76 . 1 1 12 12 ASN CB C 13 38.563 0.3 . 1 . . . . . 12 ASN CB . 27062 1 77 . 1 1 12 12 ASN N N 15 119.194 0.3 . 1 . . . . . 12 ASN N . 27062 1 78 . 1 1 13 13 LEU H H 1 8.124 0.02 . 1 . . . . . 13 LEU H . 27062 1 79 . 1 1 13 13 LEU HA H 1 4.328 0.02 . 1 . . . . . 13 LEU HA . 27062 1 80 . 1 1 13 13 LEU HB2 H 1 1.568 0.02 . 1 . . . . . 13 LEU HB2 . 27062 1 81 . 1 1 13 13 LEU HB3 H 1 1.568 0.02 . 1 . . . . . 13 LEU HB3 . 27062 1 82 . 1 1 13 13 LEU HG H 1 1.182 0.02 . 1 . . . . . 13 LEU HG . 27062 1 83 . 1 1 13 13 LEU HD11 H 1 0.858 0.02 . 1 . . . . . 13 LEU HD1 . 27062 1 84 . 1 1 13 13 LEU HD12 H 1 0.858 0.02 . 1 . . . . . 13 LEU HD1 . 27062 1 85 . 1 1 13 13 LEU HD13 H 1 0.858 0.02 . 1 . . . . . 13 LEU HD1 . 27062 1 86 . 1 1 13 13 LEU HD21 H 1 0.858 0.02 . 1 . . . . . 13 LEU HD2 . 27062 1 87 . 1 1 13 13 LEU HD22 H 1 0.858 0.02 . 1 . . . . . 13 LEU HD2 . 27062 1 88 . 1 1 13 13 LEU HD23 H 1 0.858 0.02 . 1 . . . . . 13 LEU HD2 . 27062 1 89 . 1 1 13 13 LEU CA C 13 55.159 0.3 . 1 . . . . . 13 LEU CA . 27062 1 90 . 1 1 13 13 LEU CB C 13 42.408 0.3 . 1 . . . . . 13 LEU CB . 27062 1 91 . 1 1 13 13 LEU CG C 13 26.777 0.3 . 1 . . . . . 13 LEU CG . 27062 1 92 . 1 1 13 13 LEU CD2 C 13 24.983 0.3 . 1 . . . . . 13 LEU CD2 . 27062 1 93 . 1 1 13 13 LEU N N 15 122.355 0.3 . 1 . . . . . 13 LEU N . 27062 1 94 . 1 1 14 14 THR H H 1 8.136 0.02 . 1 . . . . . 14 THR H . 27062 1 95 . 1 1 14 14 THR HA H 1 4.262 0.02 . 1 . . . . . 14 THR HA . 27062 1 96 . 1 1 14 14 THR HB H 1 4.128 0.02 . 1 . . . . . 14 THR HB . 27062 1 97 . 1 1 14 14 THR HG21 H 1 1.158 0.02 . 1 . . . . . 14 THR HG2 . 27062 1 98 . 1 1 14 14 THR HG22 H 1 1.158 0.02 . 1 . . . . . 14 THR HG2 . 27062 1 99 . 1 1 14 14 THR HG23 H 1 1.158 0.02 . 1 . . . . . 14 THR HG2 . 27062 1 100 . 1 1 14 14 THR CA C 13 61.986 0.3 . 1 . . . . . 14 THR CA . 27062 1 101 . 1 1 14 14 THR CB C 13 69.833 0.3 . 1 . . . . . 14 THR CB . 27062 1 102 . 1 1 14 14 THR CG2 C 13 21.211 0.3 . 1 . . . . . 14 THR CG2 . 27062 1 103 . 1 1 14 14 THR N N 15 115.372 0.3 . 1 . . . . . 14 THR N . 27062 1 104 . 1 1 15 15 VAL H H 1 8.114 0.02 . 1 . . . . . 15 VAL H . 27062 1 105 . 1 1 15 15 VAL HA H 1 4.147 0.02 . 1 . . . . . 15 VAL HA . 27062 1 106 . 1 1 15 15 VAL HB H 1 2.043 0.02 . 1 . . . . . 15 VAL HB . 27062 1 107 . 1 1 15 15 VAL HG11 H 1 0.862 0.02 . 1 . . . . . 15 VAL HG1 . 27062 1 108 . 1 1 15 15 VAL HG12 H 1 0.862 0.02 . 1 . . . . . 15 VAL HG1 . 27062 1 109 . 1 1 15 15 VAL HG13 H 1 0.862 0.02 . 1 . . . . . 15 VAL HG1 . 27062 1 110 . 1 1 15 15 VAL HG21 H 1 0.862 0.02 . 1 . . . . . 15 VAL HG2 . 27062 1 111 . 1 1 15 15 VAL HG22 H 1 0.862 0.02 . 1 . . . . . 15 VAL HG2 . 27062 1 112 . 1 1 15 15 VAL HG23 H 1 0.862 0.02 . 1 . . . . . 15 VAL HG2 . 27062 1 113 . 1 1 15 15 VAL C C 13 176.147 0.3 . 1 . . . . . 15 VAL C . 27062 1 114 . 1 1 15 15 VAL CA C 13 62.138 0.3 . 1 . . . . . 15 VAL CA . 27062 1 115 . 1 1 15 15 VAL CB C 13 32.632 0.3 . 1 . . . . . 15 VAL CB . 27062 1 116 . 1 1 15 15 VAL CG1 C 13 20.955 0.3 . 1 . . . . . 15 VAL CG1 . 27062 1 117 . 1 1 15 15 VAL CG2 C 13 20.955 0.3 . 1 . . . . . 15 VAL CG2 . 27062 1 118 . 1 1 15 15 VAL N N 15 122.627 0.3 . 1 . . . . . 15 VAL N . 27062 1 119 . 1 1 16 16 THR H H 1 8.174 0.02 . 1 . . . . . 16 THR H . 27062 1 120 . 1 1 16 16 THR HA H 1 4.312 0.02 . 1 . . . . . 16 THR HA . 27062 1 121 . 1 1 16 16 THR HB H 1 4.187 0.02 . 1 . . . . . 16 THR HB . 27062 1 122 . 1 1 16 16 THR HG21 H 1 1.12 0.02 . 1 . . . . . 16 THR HG2 . 27062 1 123 . 1 1 16 16 THR HG22 H 1 1.12 0.02 . 1 . . . . . 16 THR HG2 . 27062 1 124 . 1 1 16 16 THR HG23 H 1 1.12 0.02 . 1 . . . . . 16 THR HG2 . 27062 1 125 . 1 1 16 16 THR C C 13 173.968 0.3 . 1 . . . . . 16 THR C . 27062 1 126 . 1 1 16 16 THR CA C 13 61.483 0.3 . 1 . . . . . 16 THR CA . 27062 1 127 . 1 1 16 16 THR CB C 13 69.812 0.3 . 1 . . . . . 16 THR CB . 27062 1 128 . 1 1 16 16 THR CG2 C 13 21.083 0.3 . 1 . . . . . 16 THR CG2 . 27062 1 129 . 1 1 16 16 THR N N 15 117.385 0.3 . 1 . . . . . 16 THR N . 27062 1 130 . 1 1 17 17 ASP H H 1 8.22 0.02 . 1 . . . . . 17 ASP H . 27062 1 131 . 1 1 17 17 ASP HA H 1 4.593 0.02 . 1 . . . . . 17 ASP HA . 27062 1 132 . 1 1 17 17 ASP HB2 H 1 2.6 0.02 . 1 . . . . . 17 ASP HB2 . 27062 1 133 . 1 1 17 17 ASP HB3 H 1 2.6 0.02 . 1 . . . . . 17 ASP HB3 . 27062 1 134 . 1 1 17 17 ASP CA C 13 54.137 0.3 . 1 . . . . . 17 ASP CA . 27062 1 135 . 1 1 17 17 ASP CB C 13 41.378 0.3 . 1 . . . . . 17 ASP CB . 27062 1 136 . 1 1 17 17 ASP N N 15 122.672 0.3 . 1 . . . . . 17 ASP N . 27062 1 137 . 1 1 18 18 GLY H H 1 8.019 0.02 . 1 . . . . . 18 GLY H . 27062 1 138 . 1 1 18 18 GLY HA2 H 1 3.947 0.02 . 1 . . . . . 18 GLY HA2 . 27062 1 139 . 1 1 18 18 GLY HA3 H 1 3.947 0.02 . 1 . . . . . 18 GLY HA3 . 27062 1 140 . 1 1 18 18 GLY CA C 13 44.638 0.3 . 1 . . . . . 18 GLY CA . 27062 1 141 . 1 1 18 18 GLY N N 15 108.959 0.3 . 1 . . . . . 18 GLY N . 27062 1 142 . 1 1 20 20 GLY H H 1 8.008 0.02 . 1 . . . . . 20 GLY H . 27062 1 143 . 1 1 20 20 GLY HA2 H 1 3.783 0.02 . 2 . . . . . 20 GLY HA2 . 27062 1 144 . 1 1 20 20 GLY HA3 H 1 4.676 0.02 . 2 . . . . . 20 GLY HA3 . 27062 1 145 . 1 1 20 20 GLY C C 13 173.165 0.3 . 1 . . . . . 20 GLY C . 27062 1 146 . 1 1 20 20 GLY CA C 13 45.005 0.3 . 1 . . . . . 20 GLY CA . 27062 1 147 . 1 1 20 20 GLY N N 15 106.871 0.3 . 1 . . . . . 20 GLY N . 27062 1 148 . 1 1 21 21 LEU H H 1 8.224 0.02 . 1 . . . . . 21 LEU H . 27062 1 149 . 1 1 21 21 LEU HA H 1 4.444 0.02 . 1 . . . . . 21 LEU HA . 27062 1 150 . 1 1 21 21 LEU HB2 H 1 1.551 0.02 . 1 . . . . . 21 LEU HB2 . 27062 1 151 . 1 1 21 21 LEU HB3 H 1 1.551 0.02 . 1 . . . . . 21 LEU HB3 . 27062 1 152 . 1 1 21 21 LEU HG H 1 1.165 0.02 . 1 . . . . . 21 LEU HG . 27062 1 153 . 1 1 21 21 LEU HD11 H 1 0.845 0.02 . 1 . . . . . 21 LEU HD1 . 27062 1 154 . 1 1 21 21 LEU HD12 H 1 0.845 0.02 . 1 . . . . . 21 LEU HD1 . 27062 1 155 . 1 1 21 21 LEU HD13 H 1 0.845 0.02 . 1 . . . . . 21 LEU HD1 . 27062 1 156 . 1 1 21 21 LEU HD21 H 1 0.845 0.02 . 1 . . . . . 21 LEU HD2 . 27062 1 157 . 1 1 21 21 LEU HD22 H 1 0.845 0.02 . 1 . . . . . 21 LEU HD2 . 27062 1 158 . 1 1 21 21 LEU HD23 H 1 0.845 0.02 . 1 . . . . . 21 LEU HD2 . 27062 1 159 . 1 1 21 21 LEU CA C 13 54.275 0.3 . 1 . . . . . 21 LEU CA . 27062 1 160 . 1 1 21 21 LEU CB C 13 43.152 0.3 . 1 . . . . . 21 LEU CB . 27062 1 161 . 1 1 21 21 LEU N N 15 122.103 0.3 . 1 . . . . . 21 LEU N . 27062 1 162 . 1 1 22 22 LEU H H 1 8.41 0.02 . 1 . . . . . 22 LEU H . 27062 1 163 . 1 1 22 22 LEU HA H 1 4.446 0.02 . 1 . . . . . 22 LEU HA . 27062 1 164 . 1 1 22 22 LEU HB2 H 1 1.554 0.02 . 1 . . . . . 22 LEU HB2 . 27062 1 165 . 1 1 22 22 LEU HB3 H 1 1.554 0.02 . 1 . . . . . 22 LEU HB3 . 27062 1 166 . 1 1 22 22 LEU HG H 1 1.166 0.02 . 1 . . . . . 22 LEU HG . 27062 1 167 . 1 1 22 22 LEU HD11 H 1 0.845 0.02 . 1 . . . . . 22 LEU HD1 . 27062 1 168 . 1 1 22 22 LEU HD12 H 1 0.845 0.02 . 1 . . . . . 22 LEU HD1 . 27062 1 169 . 1 1 22 22 LEU HD13 H 1 0.845 0.02 . 1 . . . . . 22 LEU HD1 . 27062 1 170 . 1 1 22 22 LEU HD21 H 1 0.845 0.02 . 1 . . . . . 22 LEU HD2 . 27062 1 171 . 1 1 22 22 LEU HD22 H 1 0.845 0.02 . 1 . . . . . 22 LEU HD2 . 27062 1 172 . 1 1 22 22 LEU HD23 H 1 0.845 0.02 . 1 . . . . . 22 LEU HD2 . 27062 1 173 . 1 1 22 22 LEU CA C 13 55.817 0.3 . 1 . . . . . 22 LEU CA . 27062 1 174 . 1 1 22 22 LEU CB C 13 42.849 0.3 . 1 . . . . . 22 LEU CB . 27062 1 175 . 1 1 22 22 LEU CD1 C 13 23.637 0.3 . 1 . . . . . 22 LEU CD1 . 27062 1 176 . 1 1 22 22 LEU CD2 C 13 23.637 0.3 . 1 . . . . . 22 LEU CD2 . 27062 1 177 . 1 1 22 22 LEU N N 15 125.256 0.3 . 1 . . . . . 22 LEU N . 27062 1 178 . 1 1 23 23 THR H H 1 9.282 0.02 . 1 . . . . . 23 THR H . 27062 1 179 . 1 1 23 23 THR HA H 1 4.358 0.02 . 1 . . . . . 23 THR HA . 27062 1 180 . 1 1 23 23 THR HB H 1 4.152 0.02 . 1 . . . . . 23 THR HB . 27062 1 181 . 1 1 23 23 THR HG21 H 1 0.98 0.02 . 1 . . . . . 23 THR HG2 . 27062 1 182 . 1 1 23 23 THR HG22 H 1 0.98 0.02 . 1 . . . . . 23 THR HG2 . 27062 1 183 . 1 1 23 23 THR HG23 H 1 0.98 0.02 . 1 . . . . . 23 THR HG2 . 27062 1 184 . 1 1 23 23 THR C C 13 175.115 0.3 . 1 . . . . . 23 THR C . 27062 1 185 . 1 1 23 23 THR CA C 13 61.33 0.3 . 1 . . . . . 23 THR CA . 27062 1 186 . 1 1 23 23 THR CB C 13 69.643 0.3 . 1 . . . . . 23 THR CB . 27062 1 187 . 1 1 23 23 THR CG2 C 13 21.211 0.3 . 1 . . . . . 23 THR CG2 . 27062 1 188 . 1 1 23 23 THR N N 15 116.282 0.3 . 1 . . . . . 23 THR N . 27062 1 189 . 1 1 24 24 GLY H H 1 7.544 0.02 . 1 . . . . . 24 GLY H . 27062 1 190 . 1 1 24 24 GLY HA2 H 1 4.13 0.02 . 1 . . . . . 24 GLY HA2 . 27062 1 191 . 1 1 24 24 GLY HA3 H 1 4.13 0.02 . 1 . . . . . 24 GLY HA3 . 27062 1 192 . 1 1 24 24 GLY CA C 13 45.432 0.3 . 1 . . . . . 24 GLY CA . 27062 1 193 . 1 1 24 24 GLY N N 15 109.688 0.3 . 1 . . . . . 24 GLY N . 27062 1 194 . 1 1 25 25 LEU H H 1 8.333 0.02 . 1 . . . . . 25 LEU H . 27062 1 195 . 1 1 25 25 LEU HA H 1 4.444 0.02 . 1 . . . . . 25 LEU HA . 27062 1 196 . 1 1 25 25 LEU HB2 H 1 1.537 0.02 . 1 . . . . . 25 LEU HB2 . 27062 1 197 . 1 1 25 25 LEU HB3 H 1 1.537 0.02 . 1 . . . . . 25 LEU HB3 . 27062 1 198 . 1 1 25 25 LEU HG H 1 1.149 0.02 . 1 . . . . . 25 LEU HG . 27062 1 199 . 1 1 25 25 LEU HD11 H 1 0.845 0.02 . 1 . . . . . 25 LEU HD1 . 27062 1 200 . 1 1 25 25 LEU HD12 H 1 0.845 0.02 . 1 . . . . . 25 LEU HD1 . 27062 1 201 . 1 1 25 25 LEU HD13 H 1 0.845 0.02 . 1 . . . . . 25 LEU HD1 . 27062 1 202 . 1 1 25 25 LEU HD21 H 1 0.845 0.02 . 1 . . . . . 25 LEU HD2 . 27062 1 203 . 1 1 25 25 LEU HD22 H 1 0.845 0.02 . 1 . . . . . 25 LEU HD2 . 27062 1 204 . 1 1 25 25 LEU HD23 H 1 0.845 0.02 . 1 . . . . . 25 LEU HD2 . 27062 1 205 . 1 1 25 25 LEU CA C 13 54.085 0.3 . 1 . . . . . 25 LEU CA . 27062 1 206 . 1 1 25 25 LEU CG C 13 27.93 0.3 . 1 . . . . . 25 LEU CG . 27062 1 207 . 1 1 25 25 LEU CD1 C 13 24.342 0.3 . 1 . . . . . 25 LEU CD1 . 27062 1 208 . 1 1 25 25 LEU CD2 C 13 24.342 0.3 . 1 . . . . . 25 LEU CD2 . 27062 1 209 . 1 1 25 25 LEU N N 15 121.719 0.3 . 1 . . . . . 25 LEU N . 27062 1 210 . 1 1 26 26 ARG H H 1 8.419 0.02 . 1 . . . . . 26 ARG H . 27062 1 211 . 1 1 26 26 ARG HA H 1 4.411 0.02 . 1 . . . . . 26 ARG HA . 27062 1 212 . 1 1 26 26 ARG HB2 H 1 1.367 0.02 . 2 . . . . . 26 ARG HB2 . 27062 1 213 . 1 1 26 26 ARG HB3 H 1 1.697 0.02 . 2 . . . . . 26 ARG HB3 . 27062 1 214 . 1 1 26 26 ARG HG2 H 1 1.105 0.02 . 1 . . . . . 26 ARG HG2 . 27062 1 215 . 1 1 26 26 ARG HG3 H 1 1.105 0.02 . 1 . . . . . 26 ARG HG3 . 27062 1 216 . 1 1 26 26 ARG HD2 H 1 2.857 0.02 . 1 . . . . . 26 ARG HD2 . 27062 1 217 . 1 1 26 26 ARG HD3 H 1 2.857 0.02 . 1 . . . . . 26 ARG HD3 . 27062 1 218 . 1 1 26 26 ARG HE H 1 7.237 0.02 . 1 . . . . . 26 ARG HE . 27062 1 219 . 1 1 26 26 ARG CA C 13 54.679 0.3 . 1 . . . . . 26 ARG CA . 27062 1 220 . 1 1 26 26 ARG CB C 13 33.557 0.3 . 1 . . . . . 26 ARG CB . 27062 1 221 . 1 1 26 26 ARG CG C 13 26.829 0.3 . 1 . . . . . 26 ARG CG . 27062 1 222 . 1 1 26 26 ARG CD C 13 42.025 0.3 . 1 . . . . . 26 ARG CD . 27062 1 223 . 1 1 26 26 ARG N N 15 121.418 0.3 . 1 . . . . . 26 ARG N . 27062 1 224 . 1 1 27 27 ILE H H 1 8.863 0.02 . 1 . . . . . 27 ILE H . 27062 1 225 . 1 1 27 27 ILE HA H 1 4.924 0.02 . 1 . . . . . 27 ILE HA . 27062 1 226 . 1 1 27 27 ILE HB H 1 1.739 0.02 . 1 . . . . . 27 ILE HB . 27062 1 227 . 1 1 27 27 ILE HG12 H 1 1.199 0.02 . 1 . . . . . 27 ILE HG12 . 27062 1 228 . 1 1 27 27 ILE HG13 H 1 1.199 0.02 . 1 . . . . . 27 ILE HG13 . 27062 1 229 . 1 1 27 27 ILE HG21 H 1 0.664 0.02 . 1 . . . . . 27 ILE HG2 . 27062 1 230 . 1 1 27 27 ILE HG22 H 1 0.664 0.02 . 1 . . . . . 27 ILE HG2 . 27062 1 231 . 1 1 27 27 ILE HG23 H 1 0.664 0.02 . 1 . . . . . 27 ILE HG2 . 27062 1 232 . 1 1 27 27 ILE HD11 H 1 0.541 0.02 . 1 . . . . . 27 ILE HD1 . 27062 1 233 . 1 1 27 27 ILE HD12 H 1 0.541 0.02 . 1 . . . . . 27 ILE HD1 . 27062 1 234 . 1 1 27 27 ILE HD13 H 1 0.541 0.02 . 1 . . . . . 27 ILE HD1 . 27062 1 235 . 1 1 27 27 ILE C C 13 174.828 0.3 . 1 . . . . . 27 ILE C . 27062 1 236 . 1 1 27 27 ILE CA C 13 59.864 0.3 . 1 . . . . . 27 ILE CA . 27062 1 237 . 1 1 27 27 ILE CB C 13 38.53 0.3 . 1 . . . . . 27 ILE CB . 27062 1 238 . 1 1 27 27 ILE CG1 C 13 23.892 0.3 . 1 . . . . . 27 ILE CG1 . 27062 1 239 . 1 1 27 27 ILE CG2 C 13 18.657 0.3 . 1 . . . . . 27 ILE CG2 . 27062 1 240 . 1 1 27 27 ILE CD1 C 13 17.635 0.3 . 1 . . . . . 27 ILE CD1 . 27062 1 241 . 1 1 27 27 ILE N N 15 123.365 0.3 . 1 . . . . . 27 ILE N . 27062 1 242 . 1 1 28 28 LYS H H 1 9.38 0.02 . 1 . . . . . 28 LYS H . 27062 1 243 . 1 1 28 28 LYS HA H 1 4.743 0.02 . 1 . . . . . 28 LYS HA . 27062 1 244 . 1 1 28 28 LYS HB2 H 1 2.802 0.02 . 1 . . . . . 28 LYS HB2 . 27062 1 245 . 1 1 28 28 LYS HB3 H 1 2.802 0.02 . 1 . . . . . 28 LYS HB3 . 27062 1 246 . 1 1 28 28 LYS HG2 H 1 0.775 0.02 . 1 . . . . . 28 LYS HG2 . 27062 1 247 . 1 1 28 28 LYS HG3 H 1 0.775 0.02 . 1 . . . . . 28 LYS HG3 . 27062 1 248 . 1 1 28 28 LYS HD2 H 1 1.585 0.02 . 1 . . . . . 28 LYS HD2 . 27062 1 249 . 1 1 28 28 LYS HD3 H 1 1.585 0.02 . 1 . . . . . 28 LYS HD3 . 27062 1 250 . 1 1 28 28 LYS HE2 H 1 3.072 0.02 . 1 . . . . . 28 LYS HE2 . 27062 1 251 . 1 1 28 28 LYS HE3 H 1 3.072 0.02 . 1 . . . . . 28 LYS HE3 . 27062 1 252 . 1 1 28 28 LYS HZ1 H 1 6.99 0.02 . 1 . . . . . 28 LYS HZ . 27062 1 253 . 1 1 28 28 LYS HZ2 H 1 6.99 0.02 . 1 . . . . . 28 LYS HZ . 27062 1 254 . 1 1 28 28 LYS HZ3 H 1 6.99 0.02 . 1 . . . . . 28 LYS HZ . 27062 1 255 . 1 1 28 28 LYS CA C 13 51.417 0.3 . 1 . . . . . 28 LYS CA . 27062 1 256 . 1 1 28 28 LYS CB C 13 38.617 0.3 . 1 . . . . . 28 LYS CB . 27062 1 257 . 1 1 28 28 LYS CG C 13 23.104 0.3 . 1 . . . . . 28 LYS CG . 27062 1 258 . 1 1 28 28 LYS CD C 13 27.085 0.3 . 1 . . . . . 28 LYS CD . 27062 1 259 . 1 1 28 28 LYS CE C 13 41.004 0.3 . 1 . . . . . 28 LYS CE . 27062 1 260 . 1 1 28 28 LYS N N 15 123.591 0.3 . 1 . . . . . 28 LYS N . 27062 1 261 . 1 1 30 30 ASP H H 1 9.412 0.02 . 1 . . . . . 30 ASP H . 27062 1 262 . 1 1 30 30 ASP HA H 1 4.772 0.02 . 1 . . . . . 30 ASP HA . 27062 1 263 . 1 1 30 30 ASP HB2 H 1 1.681 0.02 . 1 . . . . . 30 ASP HB2 . 27062 1 264 . 1 1 30 30 ASP HB3 H 1 1.681 0.02 . 1 . . . . . 30 ASP HB3 . 27062 1 265 . 1 1 30 30 ASP CA C 13 51.891 0.3 . 1 . . . . . 30 ASP CA . 27062 1 266 . 1 1 30 30 ASP CB C 13 34.987 0.3 . 1 . . . . . 30 ASP CB . 27062 1 267 . 1 1 30 30 ASP N N 15 125.754 0.3 . 1 . . . . . 30 ASP N . 27062 1 268 . 1 1 31 31 GLN H H 1 8.827 0.02 . 1 . . . . . 31 GLN H . 27062 1 269 . 1 1 31 31 GLN HA H 1 4.337 0.02 . 1 . . . . . 31 GLN HA . 27062 1 270 . 1 1 31 31 GLN HB2 H 1 3.213 0.02 . 2 . . . . . 31 GLN HB2 . 27062 1 271 . 1 1 31 31 GLN HB3 H 1 2.551 0.02 . 2 . . . . . 31 GLN HB3 . 27062 1 272 . 1 1 31 31 GLN HG2 H 1 2.787 0.02 . 1 . . . . . 31 GLN HG2 . 27062 1 273 . 1 1 31 31 GLN HG3 H 1 2.787 0.02 . 1 . . . . . 31 GLN HG3 . 27062 1 274 . 1 1 31 31 GLN HE21 H 1 7.548 0.02 . 1 . . . . . 31 GLN HE21 . 27062 1 275 . 1 1 31 31 GLN HE22 H 1 7.015 0.02 . 1 . . . . . 31 GLN HE22 . 27062 1 276 . 1 1 31 31 GLN CA C 13 58.882 0.3 . 1 . . . . . 31 GLN CA . 27062 1 277 . 1 1 31 31 GLN CB C 13 37.596 0.3 . 1 . . . . . 31 GLN CB . 27062 1 278 . 1 1 31 31 GLN N N 15 121.137 0.3 . 1 . . . . . 31 GLN N . 27062 1 279 . 1 1 32 32 THR H H 1 8.94 0.02 . 1 . . . . . 32 THR H . 27062 1 280 . 1 1 32 32 THR HA H 1 4.292 0.02 . 1 . . . . . 32 THR HA . 27062 1 281 . 1 1 32 32 THR HB H 1 4.626 0.02 . 1 . . . . . 32 THR HB . 27062 1 282 . 1 1 32 32 THR HG21 H 1 0.858 0.02 . 1 . . . . . 32 THR HG2 . 27062 1 283 . 1 1 32 32 THR HG22 H 1 0.858 0.02 . 1 . . . . . 32 THR HG2 . 27062 1 284 . 1 1 32 32 THR HG23 H 1 0.858 0.02 . 1 . . . . . 32 THR HG2 . 27062 1 285 . 1 1 32 32 THR CA C 13 60.746 0.3 . 1 . . . . . 32 THR CA . 27062 1 286 . 1 1 32 32 THR CB C 13 68.368 0.3 . 1 . . . . . 32 THR CB . 27062 1 287 . 1 1 32 32 THR CG2 C 13 18.274 0.3 . 1 . . . . . 32 THR CG2 . 27062 1 288 . 1 1 32 32 THR N N 15 114.562 0.3 . 1 . . . . . 32 THR N . 27062 1 289 . 1 1 33 33 THR H H 1 8.025 0.02 . 1 . . . . . 33 THR H . 27062 1 290 . 1 1 33 33 THR HA H 1 5.634 0.02 . 1 . . . . . 33 THR HA . 27062 1 291 . 1 1 33 33 THR HB H 1 3.93 0.02 . 1 . . . . . 33 THR HB . 27062 1 292 . 1 1 33 33 THR HG21 H 1 1.023 0.02 . 1 . . . . . 33 THR HG2 . 27062 1 293 . 1 1 33 33 THR HG22 H 1 1.023 0.02 . 1 . . . . . 33 THR HG2 . 27062 1 294 . 1 1 33 33 THR HG23 H 1 1.023 0.02 . 1 . . . . . 33 THR HG2 . 27062 1 295 . 1 1 33 33 THR C C 13 173.079 0.3 . 1 . . . . . 33 THR C . 27062 1 296 . 1 1 33 33 THR CA C 13 59.83 0.3 . 1 . . . . . 33 THR CA . 27062 1 297 . 1 1 33 33 THR CB C 13 71.483 0.3 . 1 . . . . . 33 THR CB . 27062 1 298 . 1 1 33 33 THR CG2 C 13 21.466 0.3 . 1 . . . . . 33 THR CG2 . 27062 1 299 . 1 1 33 33 THR N N 15 117.207 0.3 . 1 . . . . . 33 THR N . 27062 1 300 . 1 1 34 34 VAL H H 1 9.049 0.02 . 1 . . . . . 34 VAL H . 27062 1 301 . 1 1 34 34 VAL HA H 1 4.378 0.02 . 1 . . . . . 34 VAL HA . 27062 1 302 . 1 1 34 34 VAL HB H 1 1.811 0.02 . 1 . . . . . 34 VAL HB . 27062 1 303 . 1 1 34 34 VAL HG11 H 1 0.812 0.02 . 1 . . . . . 34 VAL HG1 . 27062 1 304 . 1 1 34 34 VAL HG12 H 1 0.812 0.02 . 1 . . . . . 34 VAL HG1 . 27062 1 305 . 1 1 34 34 VAL HG13 H 1 0.812 0.02 . 1 . . . . . 34 VAL HG1 . 27062 1 306 . 1 1 34 34 VAL HG21 H 1 0.812 0.02 . 1 . . . . . 34 VAL HG2 . 27062 1 307 . 1 1 34 34 VAL HG22 H 1 0.812 0.02 . 1 . . . . . 34 VAL HG2 . 27062 1 308 . 1 1 34 34 VAL HG23 H 1 0.812 0.02 . 1 . . . . . 34 VAL HG2 . 27062 1 309 . 1 1 34 34 VAL CA C 13 59.378 0.3 . 1 . . . . . 34 VAL CA . 27062 1 310 . 1 1 34 34 VAL CB C 13 35.542 0.3 . 1 . . . . . 34 VAL CB . 27062 1 311 . 1 1 34 34 VAL CG1 C 13 20.955 0.3 . 1 . . . . . 34 VAL CG1 . 27062 1 312 . 1 1 34 34 VAL CG2 C 13 20.955 0.3 . 1 . . . . . 34 VAL CG2 . 27062 1 313 . 1 1 34 34 VAL N N 15 122.316 0.3 . 1 . . . . . 34 VAL N . 27062 1 314 . 1 1 35 35 SER H H 1 8.187 0.02 . 1 . . . . . 35 SER H . 27062 1 315 . 1 1 35 35 SER HA H 1 4.725 0.02 . 1 . . . . . 35 SER HA . 27062 1 316 . 1 1 35 35 SER HB2 H 1 3.739 0.02 . 1 . . . . . 35 SER HB2 . 27062 1 317 . 1 1 35 35 SER HB3 H 1 3.739 0.02 . 1 . . . . . 35 SER HB3 . 27062 1 318 . 1 1 35 35 SER C C 13 175.516 0.3 . 1 . . . . . 35 SER C . 27062 1 319 . 1 1 35 35 SER CA C 13 57.816 0.3 . 1 . . . . . 35 SER CA . 27062 1 320 . 1 1 35 35 SER CB C 13 64.438 0.3 . 1 . . . . . 35 SER CB . 27062 1 321 . 1 1 35 35 SER N N 15 119.518 0.3 . 1 . . . . . 35 SER N . 27062 1 322 . 1 1 36 36 LEU H H 1 8.062 0.02 . 1 . . . . . 36 LEU H . 27062 1 323 . 1 1 36 36 LEU HA H 1 4.742 0.02 . 1 . . . . . 36 LEU HA . 27062 1 324 . 1 1 36 36 LEU HB2 H 1 1.415 0.02 . 1 . . . . . 36 LEU HB2 . 27062 1 325 . 1 1 36 36 LEU HB3 H 1 1.415 0.02 . 1 . . . . . 36 LEU HB3 . 27062 1 326 . 1 1 36 36 LEU HG H 1 1.604 0.02 . 1 . . . . . 36 LEU HG . 27062 1 327 . 1 1 36 36 LEU HD11 H 1 0.754 0.02 . 1 . . . . . 36 LEU HD1 . 27062 1 328 . 1 1 36 36 LEU HD12 H 1 0.754 0.02 . 1 . . . . . 36 LEU HD1 . 27062 1 329 . 1 1 36 36 LEU HD13 H 1 0.754 0.02 . 1 . . . . . 36 LEU HD1 . 27062 1 330 . 1 1 36 36 LEU HD21 H 1 0.754 0.02 . 1 . . . . . 36 LEU HD2 . 27062 1 331 . 1 1 36 36 LEU HD22 H 1 0.754 0.02 . 1 . . . . . 36 LEU HD2 . 27062 1 332 . 1 1 36 36 LEU HD23 H 1 0.754 0.02 . 1 . . . . . 36 LEU HD2 . 27062 1 333 . 1 1 36 36 LEU CA C 13 57.365 0.3 . 1 . . . . . 36 LEU CA . 27062 1 334 . 1 1 36 36 LEU CB C 13 42.01 0.3 . 1 . . . . . 36 LEU CB . 27062 1 335 . 1 1 36 36 LEU CD1 C 13 24.786 0.3 . 1 . . . . . 36 LEU CD1 . 27062 1 336 . 1 1 36 36 LEU CD2 C 13 24.786 0.3 . 1 . . . . . 36 LEU CD2 . 27062 1 337 . 1 1 36 36 LEU N N 15 123.392 0.3 . 1 . . . . . 36 LEU N . 27062 1 338 . 1 1 37 37 GLY H H 1 8.797 0.02 . 1 . . . . . 37 GLY H . 27062 1 339 . 1 1 37 37 GLY HA2 H 1 4.16 0.02 . 2 . . . . . 37 GLY HA2 . 27062 1 340 . 1 1 37 37 GLY HA3 H 1 3.731 0.02 . 2 . . . . . 37 GLY HA3 . 27062 1 341 . 1 1 37 37 GLY CA C 13 45.289 0.3 . 1 . . . . . 37 GLY CA . 27062 1 342 . 1 1 37 37 GLY N N 15 117.517 0.3 . 1 . . . . . 37 GLY N . 27062 1 343 . 1 1 38 38 GLY H H 1 8.561 0.02 . 1 . . . . . 38 GLY H . 27062 1 344 . 1 1 38 38 GLY HA2 H 1 4.325 0.02 . 2 . . . . . 38 GLY HA2 . 27062 1 345 . 1 1 38 38 GLY HA3 H 1 3.599 0.02 . 2 . . . . . 38 GLY HA3 . 27062 1 346 . 1 1 38 38 GLY CA C 13 43.472 0.3 . 1 . . . . . 38 GLY CA . 27062 1 347 . 1 1 38 38 GLY N N 15 110.484 0.3 . 1 . . . . . 38 GLY N . 27062 1 348 . 1 1 39 39 THR H H 1 7.732 0.02 . 1 . . . . . 39 THR H . 27062 1 349 . 1 1 39 39 THR HA H 1 5.892 0.02 . 1 . . . . . 39 THR HA . 27062 1 350 . 1 1 39 39 THR HB H 1 4.064 0.02 . 1 . . . . . 39 THR HB . 27062 1 351 . 1 1 39 39 THR HG21 H 1 1.052 0.02 . 1 . . . . . 39 THR HG2 . 27062 1 352 . 1 1 39 39 THR HG22 H 1 1.052 0.02 . 1 . . . . . 39 THR HG2 . 27062 1 353 . 1 1 39 39 THR HG23 H 1 1.052 0.02 . 1 . . . . . 39 THR HG2 . 27062 1 354 . 1 1 39 39 THR C C 13 175.468 0.3 . 1 . . . . . 39 THR C . 27062 1 355 . 1 1 39 39 THR CA C 13 58.473 0.3 . 1 . . . . . 39 THR CA . 27062 1 356 . 1 1 39 39 THR CB C 13 73.267 0.3 . 1 . . . . . 39 THR CB . 27062 1 357 . 1 1 39 39 THR CG2 C 13 21.594 0.3 . 1 . . . . . 39 THR CG2 . 27062 1 358 . 1 1 39 39 THR N N 15 105.72 0.3 . 1 . . . . . 39 THR N . 27062 1 359 . 1 1 40 40 THR H H 1 8.478 0.02 . 1 . . . . . 40 THR H . 27062 1 360 . 1 1 40 40 THR HA H 1 4.411 0.02 . 1 . . . . . 40 THR HA . 27062 1 361 . 1 1 40 40 THR HB H 1 5.006 0.02 . 1 . . . . . 40 THR HB . 27062 1 362 . 1 1 40 40 THR HG21 H 1 0.754 0.02 . 1 . . . . . 40 THR HG2 . 27062 1 363 . 1 1 40 40 THR HG22 H 1 0.754 0.02 . 1 . . . . . 40 THR HG2 . 27062 1 364 . 1 1 40 40 THR HG23 H 1 0.754 0.02 . 1 . . . . . 40 THR HG2 . 27062 1 365 . 1 1 40 40 THR C C 13 170.27 0.3 . 1 . . . . . 40 THR C . 27062 1 366 . 1 1 40 40 THR CA C 13 61.284 0.3 . 1 . . . . . 40 THR CA . 27062 1 367 . 1 1 40 40 THR CB C 13 69.996 0.3 . 1 . . . . . 40 THR CB . 27062 1 368 . 1 1 40 40 THR CG2 C 13 19.346 0.3 . 1 . . . . . 40 THR CG2 . 27062 1 369 . 1 1 40 40 THR N N 15 115.117 0.3 . 1 . . . . . 40 THR N . 27062 1 370 . 1 1 41 41 GLN H H 1 8.301 0.02 . 1 . . . . . 41 GLN H . 27062 1 371 . 1 1 41 41 GLN HA H 1 4.358 0.02 . 1 . . . . . 41 GLN HA . 27062 1 372 . 1 1 41 41 GLN HB2 H 1 1.971 0.02 . 1 . . . . . 41 GLN HB2 . 27062 1 373 . 1 1 41 41 GLN HB3 H 1 1.971 0.02 . 1 . . . . . 41 GLN HB3 . 27062 1 374 . 1 1 41 41 GLN HG2 H 1 2.14 0.02 . 1 . . . . . 41 GLN HG2 . 27062 1 375 . 1 1 41 41 GLN HG3 H 1 2.14 0.02 . 1 . . . . . 41 GLN HG3 . 27062 1 376 . 1 1 41 41 GLN C C 13 174.971 0.3 . 1 . . . . . 41 GLN C . 27062 1 377 . 1 1 41 41 GLN CA C 13 54.767 0.3 . 1 . . . . . 41 GLN CA . 27062 1 378 . 1 1 41 41 GLN CB C 13 30.355 0.3 . 1 . . . . . 41 GLN CB . 27062 1 379 . 1 1 41 41 GLN CG C 13 36.407 0.3 . 1 . . . . . 41 GLN CG . 27062 1 380 . 1 1 41 41 GLN N N 15 127.62 0.3 . 1 . . . . . 41 GLN N . 27062 1 381 . 1 1 42 42 LEU H H 1 8.241 0.02 . 1 . . . . . 42 LEU H . 27062 1 382 . 1 1 42 42 LEU HA H 1 4.721 0.02 . 1 . . . . . 42 LEU HA . 27062 1 383 . 1 1 42 42 LEU HB2 H 1 1.214 0.02 . 1 . . . . . 42 LEU HB2 . 27062 1 384 . 1 1 42 42 LEU HB3 H 1 1.214 0.02 . 1 . . . . . 42 LEU HB3 . 27062 1 385 . 1 1 42 42 LEU HG H 1 1.634 0.02 . 1 . . . . . 42 LEU HG . 27062 1 386 . 1 1 42 42 LEU HD11 H 1 0.727 0.02 . 1 . . . . . 42 LEU HD1 . 27062 1 387 . 1 1 42 42 LEU HD12 H 1 0.727 0.02 . 1 . . . . . 42 LEU HD1 . 27062 1 388 . 1 1 42 42 LEU HD13 H 1 0.727 0.02 . 1 . . . . . 42 LEU HD1 . 27062 1 389 . 1 1 42 42 LEU HD21 H 1 0.727 0.02 . 1 . . . . . 42 LEU HD2 . 27062 1 390 . 1 1 42 42 LEU HD22 H 1 0.727 0.02 . 1 . . . . . 42 LEU HD2 . 27062 1 391 . 1 1 42 42 LEU HD23 H 1 0.727 0.02 . 1 . . . . . 42 LEU HD2 . 27062 1 392 . 1 1 42 42 LEU CA C 13 53.733 0.3 . 1 . . . . . 42 LEU CA . 27062 1 393 . 1 1 42 42 LEU CB C 13 42.323 0.3 . 1 . . . . . 42 LEU CB . 27062 1 394 . 1 1 42 42 LEU CG C 13 27.212 0.3 . 1 . . . . . 42 LEU CG . 27062 1 395 . 1 1 42 42 LEU CD1 C 13 25.042 0.3 . 1 . . . . . 42 LEU CD1 . 27062 1 396 . 1 1 42 42 LEU CD2 C 13 25.042 0.3 . 1 . . . . . 42 LEU CD2 . 27062 1 397 . 1 1 42 42 LEU N N 15 128.727 0.3 . 1 . . . . . 42 LEU N . 27062 1 398 . 1 1 43 43 ILE H H 1 8.453 0.02 . 1 . . . . . 43 ILE H . 27062 1 399 . 1 1 43 43 ILE HA H 1 4.758 0.02 . 1 . . . . . 43 ILE HA . 27062 1 400 . 1 1 43 43 ILE HB H 1 2.01 0.02 . 1 . . . . . 43 ILE HB . 27062 1 401 . 1 1 43 43 ILE HG12 H 1 1.266 0.02 . 2 . . . . . 43 ILE HG12 . 27062 1 402 . 1 1 43 43 ILE HG13 H 1 1.465 0.02 . 2 . . . . . 43 ILE HG13 . 27062 1 403 . 1 1 43 43 ILE HG21 H 1 0.804 0.02 . 1 . . . . . 43 ILE HG2 . 27062 1 404 . 1 1 43 43 ILE HG22 H 1 0.804 0.02 . 1 . . . . . 43 ILE HG2 . 27062 1 405 . 1 1 43 43 ILE HG23 H 1 0.804 0.02 . 1 . . . . . 43 ILE HG2 . 27062 1 406 . 1 1 43 43 ILE HD11 H 1 0.721 0.02 . 1 . . . . . 43 ILE HD1 . 27062 1 407 . 1 1 43 43 ILE HD12 H 1 0.721 0.02 . 1 . . . . . 43 ILE HD1 . 27062 1 408 . 1 1 43 43 ILE HD13 H 1 0.721 0.02 . 1 . . . . . 43 ILE HD1 . 27062 1 409 . 1 1 43 43 ILE CA C 13 58.957 0.3 . 1 . . . . . 43 ILE CA . 27062 1 410 . 1 1 43 43 ILE CB C 13 39.978 0.3 . 1 . . . . . 43 ILE CB . 27062 1 411 . 1 1 43 43 ILE CG1 C 13 27.37 0.3 . 1 . . . . . 43 ILE CG1 . 27062 1 412 . 1 1 43 43 ILE CG2 C 13 20.445 0.3 . 1 . . . . . 43 ILE CG2 . 27062 1 413 . 1 1 43 43 ILE CD1 C 13 16.614 0.3 . 1 . . . . . 43 ILE CD1 . 27062 1 414 . 1 1 43 43 ILE N N 15 120.568 0.3 . 1 . . . . . 43 ILE N . 27062 1 415 . 1 1 44 44 ALA H H 1 9.25 0.02 . 1 . . . . . 44 ALA H . 27062 1 416 . 1 1 44 44 ALA HA H 1 4.737 0.02 . 1 . . . . . 44 ALA HA . 27062 1 417 . 1 1 44 44 ALA HB1 H 1 0.778 0.02 . 1 . . . . . 44 ALA HB . 27062 1 418 . 1 1 44 44 ALA HB2 H 1 0.778 0.02 . 1 . . . . . 44 ALA HB . 27062 1 419 . 1 1 44 44 ALA HB3 H 1 0.778 0.02 . 1 . . . . . 44 ALA HB . 27062 1 420 . 1 1 44 44 ALA C C 13 173.997 0.3 . 1 . . . . . 44 ALA C . 27062 1 421 . 1 1 44 44 ALA CA C 13 49.618 0.3 . 1 . . . . . 44 ALA CA . 27062 1 422 . 1 1 44 44 ALA CB C 13 17.734 0.3 . 1 . . . . . 44 ALA CB . 27062 1 423 . 1 1 44 44 ALA N N 15 129.274 0.3 . 1 . . . . . 44 ALA N . 27062 1 424 . 1 1 45 45 GLU H H 1 9.144 0.02 . 1 . . . . . 45 GLU H . 27062 1 425 . 1 1 45 45 GLU HA H 1 4.638 0.02 . 1 . . . . . 45 GLU HA . 27062 1 426 . 1 1 45 45 GLU HB2 H 1 1.863 0.02 . 1 . . . . . 45 GLU HB2 . 27062 1 427 . 1 1 45 45 GLU HB3 H 1 1.863 0.02 . 1 . . . . . 45 GLU HB3 . 27062 1 428 . 1 1 45 45 GLU HG2 H 1 2.178 0.02 . 1 . . . . . 45 GLU HG2 . 27062 1 429 . 1 1 45 45 GLU HG3 H 1 2.178 0.02 . 1 . . . . . 45 GLU HG3 . 27062 1 430 . 1 1 45 45 GLU C C 13 175.545 0.3 . 1 . . . . . 45 GLU C . 27062 1 431 . 1 1 45 45 GLU CA C 13 55.49 0.3 . 1 . . . . . 45 GLU CA . 27062 1 432 . 1 1 45 45 GLU CB C 13 32.274 0.3 . 1 . . . . . 45 GLU CB . 27062 1 433 . 1 1 45 45 GLU CG C 13 36.407 0.3 . 1 . . . . . 45 GLU CG . 27062 1 434 . 1 1 45 45 GLU N N 15 126.061 0.3 . 1 . . . . . 45 GLU N . 27062 1 435 . 1 1 46 46 GLY H H 1 9.537 0.02 . 1 . . . . . 46 GLY H . 27062 1 436 . 1 1 46 46 GLY HA2 H 1 4.886 0.02 . 2 . . . . . 46 GLY HA2 . 27062 1 437 . 1 1 46 46 GLY HA3 H 1 4.473 0.02 . 2 . . . . . 46 GLY HA3 . 27062 1 438 . 1 1 46 46 GLY CA C 13 44.505 0.3 . 1 . . . . . 46 GLY CA . 27062 1 439 . 1 1 46 46 GLY N N 15 118.12 0.3 . 1 . . . . . 46 GLY N . 27062 1 440 . 1 1 47 47 THR H H 1 8.102 0.02 . 1 . . . . . 47 THR H . 27062 1 441 . 1 1 47 47 THR HA H 1 4.857 0.02 . 1 . . . . . 47 THR HA . 27062 1 442 . 1 1 47 47 THR HB H 1 4.23 0.02 . 1 . . . . . 47 THR HB . 27062 1 443 . 1 1 47 47 THR HG21 H 1 1.154 0.02 . 1 . . . . . 47 THR HG2 . 27062 1 444 . 1 1 47 47 THR HG22 H 1 1.154 0.02 . 1 . . . . . 47 THR HG2 . 27062 1 445 . 1 1 47 47 THR HG23 H 1 1.154 0.02 . 1 . . . . . 47 THR HG2 . 27062 1 446 . 1 1 47 47 THR CA C 13 61.257 0.3 . 1 . . . . . 47 THR CA . 27062 1 447 . 1 1 47 47 THR CB C 13 70.575 0.3 . 1 . . . . . 47 THR CB . 27062 1 448 . 1 1 47 47 THR CG2 C 13 23.382 0.3 . 1 . . . . . 47 THR CG2 . 27062 1 449 . 1 1 47 47 THR N N 15 117.505 0.3 . 1 . . . . . 47 THR N . 27062 1 450 . 1 1 48 48 PHE H H 1 8.664 0.02 . 1 . . . . . 48 PHE H . 27062 1 451 . 1 1 48 48 PHE HA H 1 5.282 0.02 . 1 . . . . . 48 PHE HA . 27062 1 452 . 1 1 48 48 PHE HB2 H 1 3.005 0.02 . 1 . . . . . 48 PHE HB2 . 27062 1 453 . 1 1 48 48 PHE HB3 H 1 3.005 0.02 . 1 . . . . . 48 PHE HB3 . 27062 1 454 . 1 1 48 48 PHE HD1 H 1 6.951 0.02 . 1 . . . . . 48 PHE HD1 . 27062 1 455 . 1 1 48 48 PHE HD2 H 1 6.951 0.02 . 1 . . . . . 48 PHE HD2 . 27062 1 456 . 1 1 48 48 PHE HE1 H 1 6.886 0.02 . 1 . . . . . 48 PHE HE1 . 27062 1 457 . 1 1 48 48 PHE HE2 H 1 6.886 0.02 . 1 . . . . . 48 PHE HE2 . 27062 1 458 . 1 1 48 48 PHE CA C 13 57.076 0.3 . 1 . . . . . 48 PHE CA . 27062 1 459 . 1 1 48 48 PHE CB C 13 41.831 0.3 . 1 . . . . . 48 PHE CB . 27062 1 460 . 1 1 48 48 PHE N N 15 123.768 0.3 . 1 . . . . . 48 PHE N . 27062 1 461 . 1 1 49 49 SER H H 1 9.061 0.02 . 1 . . . . . 49 SER H . 27062 1 462 . 1 1 49 49 SER HA H 1 4.143 0.02 . 1 . . . . . 49 SER HA . 27062 1 463 . 1 1 49 49 SER HB2 H 1 3.891 0.02 . 1 . . . . . 49 SER HB2 . 27062 1 464 . 1 1 49 49 SER HB3 H 1 2.988 0.02 . 1 . . . . . 49 SER HB3 . 27062 1 465 . 1 1 49 49 SER CA C 13 61.277 0.3 . 1 . . . . . 49 SER CA . 27062 1 466 . 1 1 49 49 SER CB C 13 62.962 0.3 . 1 . . . . . 49 SER CB . 27062 1 467 . 1 1 49 49 SER N N 15 116.652 0.3 . 1 . . . . . 49 SER N . 27062 1 468 . 1 1 50 50 ASP H H 1 7.839 0.02 . 1 . . . . . 50 ASP H . 27062 1 469 . 1 1 50 50 ASP HA H 1 4.593 0.02 . 1 . . . . . 50 ASP HA . 27062 1 470 . 1 1 50 50 ASP HB2 H 1 3.018 0.02 . 1 . . . . . 50 ASP HB2 . 27062 1 471 . 1 1 50 50 ASP HB3 H 1 3.018 0.02 . 1 . . . . . 50 ASP HB3 . 27062 1 472 . 1 1 50 50 ASP C C 13 176.52 0.3 . 1 . . . . . 50 ASP C . 27062 1 473 . 1 1 50 50 ASP CA C 13 53.154 0.3 . 1 . . . . . 50 ASP CA . 27062 1 474 . 1 1 50 50 ASP CB C 13 39.766 0.3 . 1 . . . . . 50 ASP CB . 27062 1 475 . 1 1 50 50 ASP N N 15 120.042 0.3 . 1 . . . . . 50 ASP N . 27062 1 476 . 1 1 51 51 ASN H H 1 8.532 0.02 . 1 . . . . . 51 ASN H . 27062 1 477 . 1 1 51 51 ASN HA H 1 4.292 0.02 . 1 . . . . . 51 ASN HA . 27062 1 478 . 1 1 51 51 ASN HB2 H 1 3.039 0.02 . 1 . . . . . 51 ASN HB2 . 27062 1 479 . 1 1 51 51 ASN HB3 H 1 3.039 0.02 . 1 . . . . . 51 ASN HB3 . 27062 1 480 . 1 1 51 51 ASN C C 13 174.26 0.3 . 1 . . . . . 51 ASN C . 27062 1 481 . 1 1 51 51 ASN CA C 13 55.365 0.3 . 1 . . . . . 51 ASN CA . 27062 1 482 . 1 1 51 51 ASN CB C 13 37.088 0.3 . 1 . . . . . 51 ASN CB . 27062 1 483 . 1 1 51 51 ASN N N 15 112.88 0.3 . 1 . . . . . 51 ASN N . 27062 1 484 . 1 1 52 52 SER H H 1 8.118 0.02 . 1 . . . . . 52 SER H . 27062 1 485 . 1 1 52 52 SER HA H 1 4.411 0.02 . 1 . . . . . 52 SER HA . 27062 1 486 . 1 1 52 52 SER HB2 H 1 3.977 0.02 . 1 . . . . . 52 SER HB2 . 27062 1 487 . 1 1 52 52 SER HB3 H 1 3.977 0.02 . 1 . . . . . 52 SER HB3 . 27062 1 488 . 1 1 52 52 SER C C 13 172.42 0.3 . 1 . . . . . 52 SER C . 27062 1 489 . 1 1 52 52 SER CA C 13 58.905 0.3 . 1 . . . . . 52 SER CA . 27062 1 490 . 1 1 52 52 SER CB C 13 64.401 0.3 . 1 . . . . . 52 SER CB . 27062 1 491 . 1 1 52 52 SER N N 15 116.362 0.3 . 1 . . . . . 52 SER N . 27062 1 492 . 1 1 53 53 ILE H H 1 8.021 0.02 . 1 . . . . . 53 ILE H . 27062 1 493 . 1 1 53 53 ILE HA H 1 5.618 0.02 . 1 . . . . . 53 ILE HA . 27062 1 494 . 1 1 53 53 ILE HB H 1 1.675 0.02 . 1 . . . . . 53 ILE HB . 27062 1 495 . 1 1 53 53 ILE HG12 H 1 1.365 0.02 . 1 . . . . . 53 ILE HG12 . 27062 1 496 . 1 1 53 53 ILE HG13 H 1 1.365 0.02 . 1 . . . . . 53 ILE HG13 . 27062 1 497 . 1 1 53 53 ILE HD11 H 1 0.783 0.02 . 1 . . . . . 53 ILE HD1 . 27062 1 498 . 1 1 53 53 ILE HD12 H 1 0.783 0.02 . 1 . . . . . 53 ILE HD1 . 27062 1 499 . 1 1 53 53 ILE HD13 H 1 0.783 0.02 . 1 . . . . . 53 ILE HD1 . 27062 1 500 . 1 1 53 53 ILE CA C 13 58.882 0.3 . 1 . . . . . 53 ILE CA . 27062 1 501 . 1 1 53 53 ILE CB C 13 41.839 0.3 . 1 . . . . . 53 ILE CB . 27062 1 502 . 1 1 53 53 ILE CG1 C 13 26.777 0.3 . 1 . . . . . 53 ILE CG1 . 27062 1 503 . 1 1 53 53 ILE CD1 C 13 17.68 0.3 . 1 . . . . . 53 ILE CD1 . 27062 1 504 . 1 1 53 53 ILE N N 15 115.206 0.3 . 1 . . . . . 53 ILE N . 27062 1 505 . 1 1 54 54 GLY H H 1 8.775 0.02 . 1 . . . . . 54 GLY H . 27062 1 506 . 1 1 54 54 GLY HA2 H 1 4.523 0.02 . 1 . . . . . 54 GLY HA2 . 27062 1 507 . 1 1 54 54 GLY HA3 H 1 4.523 0.02 . 1 . . . . . 54 GLY HA3 . 27062 1 508 . 1 1 54 54 GLY C C 13 171.789 0.3 . 1 . . . . . 54 GLY C . 27062 1 509 . 1 1 54 54 GLY CA C 13 44.887 0.3 . 1 . . . . . 54 GLY CA . 27062 1 510 . 1 1 54 54 GLY N N 15 109.968 0.3 . 1 . . . . . 54 GLY N . 27062 1 511 . 1 1 55 55 ASN H H 1 8.884 0.02 . 1 . . . . . 55 ASN H . 27062 1 512 . 1 1 55 55 ASN CA C 13 54.552 0.3 . 1 . . . . . 55 ASN CA . 27062 1 513 . 1 1 55 55 ASN CB C 13 39.962 0.3 . 1 . . . . . 55 ASN CB . 27062 1 514 . 1 1 55 55 ASN N N 15 121.476 0.3 . 1 . . . . . 55 ASN N . 27062 1 515 . 1 1 56 56 ARG H H 1 7.355 0.02 . 1 . . . . . 56 ARG H . 27062 1 516 . 1 1 56 56 ARG HA H 1 5.32 0.02 . 1 . . . . . 56 ARG HA . 27062 1 517 . 1 1 56 56 ARG HB2 H 1 2.079 0.02 . 1 . . . . . 56 ARG HB2 . 27062 1 518 . 1 1 56 56 ARG HB3 H 1 2.079 0.02 . 1 . . . . . 56 ARG HB3 . 27062 1 519 . 1 1 56 56 ARG HG2 H 1 1.579 0.02 . 1 . . . . . 56 ARG HG2 . 27062 1 520 . 1 1 56 56 ARG HG3 H 1 1.579 0.02 . 1 . . . . . 56 ARG HG3 . 27062 1 521 . 1 1 56 56 ARG HD2 H 1 3.026 0.02 . 1 . . . . . 56 ARG HD2 . 27062 1 522 . 1 1 56 56 ARG HD3 H 1 3.026 0.02 . 1 . . . . . 56 ARG HD3 . 27062 1 523 . 1 1 56 56 ARG C C 13 174.713 0.3 . 1 . . . . . 56 ARG C . 27062 1 524 . 1 1 56 56 ARG CA C 13 54.915 0.3 . 1 . . . . . 56 ARG CA . 27062 1 525 . 1 1 56 56 ARG CB C 13 31.033 0.3 . 1 . . . . . 56 ARG CB . 27062 1 526 . 1 1 56 56 ARG CG C 13 27.033 0.3 . 1 . . . . . 56 ARG CG . 27062 1 527 . 1 1 56 56 ARG CD C 13 41.767 0.3 . 1 . . . . . 56 ARG CD . 27062 1 528 . 1 1 56 56 ARG N N 15 118.344 0.3 . 1 . . . . . 56 ARG N . 27062 1 529 . 1 1 57 57 ASN H H 1 8.137 0.02 . 1 . . . . . 57 ASN H . 27062 1 530 . 1 1 57 57 ASN HA H 1 4.641 0.02 . 1 . . . . . 57 ASN HA . 27062 1 531 . 1 1 57 57 ASN HB2 H 1 2.024 0.02 . 1 . . . . . 57 ASN HB2 . 27062 1 532 . 1 1 57 57 ASN HB3 H 1 2.024 0.02 . 1 . . . . . 57 ASN HB3 . 27062 1 533 . 1 1 57 57 ASN CA C 13 54.915 0.3 . 1 . . . . . 57 ASN CA . 27062 1 534 . 1 1 57 57 ASN CB C 13 42.288 0.3 . 1 . . . . . 57 ASN CB . 27062 1 535 . 1 1 57 57 ASN N N 15 115.754 0.3 . 1 . . . . . 57 ASN N . 27062 1 536 . 1 1 60 60 ALA H H 1 7.706 0.02 . 1 . . . . . 60 ALA H . 27062 1 537 . 1 1 60 60 ALA HA H 1 3.932 0.02 . 1 . . . . . 60 ALA HA . 27062 1 538 . 1 1 60 60 ALA HB1 H 1 0.605 0.02 . 1 . . . . . 60 ALA HB . 27062 1 539 . 1 1 60 60 ALA HB2 H 1 0.605 0.02 . 1 . . . . . 60 ALA HB . 27062 1 540 . 1 1 60 60 ALA HB3 H 1 0.605 0.02 . 1 . . . . . 60 ALA HB . 27062 1 541 . 1 1 60 60 ALA C C 13 175.23 0.3 . 1 . . . . . 60 ALA C . 27062 1 542 . 1 1 60 60 ALA CA C 13 52.522 0.3 . 1 . . . . . 60 ALA CA . 27062 1 543 . 1 1 60 60 ALA CB C 13 17.708 0.3 . 1 . . . . . 60 ALA CB . 27062 1 544 . 1 1 60 60 ALA N N 15 119.848 0.3 . 1 . . . . . 60 ALA N . 27062 1 545 . 1 1 61 61 ILE H H 1 8.543 0.02 . 1 . . . . . 61 ILE H . 27062 1 546 . 1 1 61 61 ILE HA H 1 4.295 0.02 . 1 . . . . . 61 ILE HA . 27062 1 547 . 1 1 61 61 ILE HB H 1 1.702 0.02 . 1 . . . . . 61 ILE HB . 27062 1 548 . 1 1 61 61 ILE HG12 H 1 1.23 0.02 . 1 . . . . . 61 ILE HG12 . 27062 1 549 . 1 1 61 61 ILE HG13 H 1 1.23 0.02 . 1 . . . . . 61 ILE HG13 . 27062 1 550 . 1 1 61 61 ILE HG21 H 1 0.624 0.02 . 1 . . . . . 61 ILE HG2 . 27062 1 551 . 1 1 61 61 ILE HG22 H 1 0.624 0.02 . 1 . . . . . 61 ILE HG2 . 27062 1 552 . 1 1 61 61 ILE HG23 H 1 0.624 0.02 . 1 . . . . . 61 ILE HG2 . 27062 1 553 . 1 1 61 61 ILE HD11 H 1 0.809 0.02 . 1 . . . . . 61 ILE HD1 . 27062 1 554 . 1 1 61 61 ILE HD12 H 1 0.809 0.02 . 1 . . . . . 61 ILE HD1 . 27062 1 555 . 1 1 61 61 ILE HD13 H 1 0.809 0.02 . 1 . . . . . 61 ILE HD1 . 27062 1 556 . 1 1 61 61 ILE CA C 13 59.505 0.3 . 1 . . . . . 61 ILE CA . 27062 1 557 . 1 1 61 61 ILE CB C 13 38.524 0.3 . 1 . . . . . 61 ILE CB . 27062 1 558 . 1 1 61 61 ILE CG1 C 13 27.289 0.3 . 1 . . . . . 61 ILE CG1 . 27062 1 559 . 1 1 61 61 ILE CG2 C 13 17.808 0.3 . 1 . . . . . 61 ILE CG2 . 27062 1 560 . 1 1 61 61 ILE CD1 C 13 17.424 0.3 . 1 . . . . . 61 ILE CD1 . 27062 1 561 . 1 1 61 61 ILE N N 15 118.329 0.3 . 1 . . . . . 61 ILE N . 27062 1 562 . 1 1 62 62 TRP H H 1 9.149 0.02 . 1 . . . . . 62 TRP H . 27062 1 563 . 1 1 62 62 TRP HA H 1 4.341 0.02 . 1 . . . . . 62 TRP HA . 27062 1 564 . 1 1 62 62 TRP HB2 H 1 3.138 0.02 . 1 . . . . . 62 TRP HB2 . 27062 1 565 . 1 1 62 62 TRP HB3 H 1 3.138 0.02 . 1 . . . . . 62 TRP HB3 . 27062 1 566 . 1 1 62 62 TRP HD1 H 1 7.155 0.02 . 1 . . . . . 62 TRP HD1 . 27062 1 567 . 1 1 62 62 TRP HE1 H 1 9.865 0.02 . 1 . . . . . 62 TRP HE1 . 27062 1 568 . 1 1 62 62 TRP CA C 13 56.001 0.3 . 1 . . . . . 62 TRP CA . 27062 1 569 . 1 1 62 62 TRP CB C 13 30.894 0.3 . 1 . . . . . 62 TRP CB . 27062 1 570 . 1 1 62 62 TRP N N 15 132.738 0.3 . 1 . . . . . 62 TRP N . 27062 1 571 . 1 1 63 63 GLU H H 1 9.076 0.02 . 1 . . . . . 63 GLU H . 27062 1 572 . 1 1 63 63 GLU HA H 1 4.576 0.02 . 1 . . . . . 63 GLU HA . 27062 1 573 . 1 1 63 63 GLU HB2 H 1 1.863 0.02 . 1 . . . . . 63 GLU HB2 . 27062 1 574 . 1 1 63 63 GLU HB3 H 1 1.863 0.02 . 1 . . . . . 63 GLU HB3 . 27062 1 575 . 1 1 63 63 GLU CA C 13 55.134 0.3 . 1 . . . . . 63 GLU CA . 27062 1 576 . 1 1 63 63 GLU CB C 13 34.747 0.3 . 1 . . . . . 63 GLU CB . 27062 1 577 . 1 1 63 63 GLU N N 15 122.09 0.3 . 1 . . . . . 63 GLU N . 27062 1 578 . 1 1 64 64 SER H H 1 8.911 0.02 . 1 . . . . . 64 SER H . 27062 1 579 . 1 1 64 64 SER HA H 1 5.117 0.02 . 1 . . . . . 64 SER HA . 27062 1 580 . 1 1 64 64 SER HB2 H 1 3.848 0.02 . 2 . . . . . 64 SER HB2 . 27062 1 581 . 1 1 64 64 SER HB3 H 1 3.55 0.02 . 2 . . . . . 64 SER HB3 . 27062 1 582 . 1 1 64 64 SER C C 13 175.917 0.3 . 1 . . . . . 64 SER C . 27062 1 583 . 1 1 64 64 SER CA C 13 54.993 0.3 . 1 . . . . . 64 SER CA . 27062 1 584 . 1 1 64 64 SER CB C 13 65.235 0.3 . 1 . . . . . 64 SER CB . 27062 1 585 . 1 1 64 64 SER N N 15 115.556 0.3 . 1 . . . . . 64 SER N . 27062 1 586 . 1 1 65 65 ARG H H 1 9.216 0.02 . 1 . . . . . 65 ARG H . 27062 1 587 . 1 1 65 65 ARG HA H 1 4.308 0.02 . 1 . . . . . 65 ARG HA . 27062 1 588 . 1 1 65 65 ARG HB2 H 1 2.032 0.02 . 1 . . . . . 65 ARG HB2 . 27062 1 589 . 1 1 65 65 ARG HB3 H 1 2.032 0.02 . 1 . . . . . 65 ARG HB3 . 27062 1 590 . 1 1 65 65 ARG HG2 H 1 1.603 0.02 . 1 . . . . . 65 ARG HG2 . 27062 1 591 . 1 1 65 65 ARG HG3 H 1 1.603 0.02 . 1 . . . . . 65 ARG HG3 . 27062 1 592 . 1 1 65 65 ARG HD2 H 1 3.106 0.02 . 1 . . . . . 65 ARG HD2 . 27062 1 593 . 1 1 65 65 ARG HD3 H 1 3.106 0.02 . 1 . . . . . 65 ARG HD3 . 27062 1 594 . 1 1 65 65 ARG CA C 13 56.688 0.3 . 1 . . . . . 65 ARG CA . 27062 1 595 . 1 1 65 65 ARG CB C 13 29.498 0.3 . 1 . . . . . 65 ARG CB . 27062 1 596 . 1 1 65 65 ARG CG C 13 26.961 0.3 . 1 . . . . . 65 ARG CG . 27062 1 597 . 1 1 65 65 ARG CD C 13 43.353 0.3 . 1 . . . . . 65 ARG CD . 27062 1 598 . 1 1 65 65 ARG N N 15 125.35 0.3 . 1 . . . . . 65 ARG N . 27062 1 599 . 1 1 66 66 ASN H H 1 7.928 0.02 . 1 . . . . . 66 ASN H . 27062 1 600 . 1 1 66 66 ASN HA H 1 5.171 0.02 . 1 . . . . . 66 ASN HA . 27062 1 601 . 1 1 66 66 ASN HB2 H 1 2.82 0.02 . 1 . . . . . 66 ASN HB2 . 27062 1 602 . 1 1 66 66 ASN HB3 H 1 2.82 0.02 . 1 . . . . . 66 ASN HB3 . 27062 1 603 . 1 1 66 66 ASN C C 13 171.99 0.3 . 1 . . . . . 66 ASN C . 27062 1 604 . 1 1 66 66 ASN CA C 13 51.304 0.3 . 1 . . . . . 66 ASN CA . 27062 1 605 . 1 1 66 66 ASN CB C 13 40.525 0.3 . 1 . . . . . 66 ASN CB . 27062 1 606 . 1 1 66 66 ASN N N 15 113.566 0.3 . 1 . . . . . 66 ASN N . 27062 1 607 . 1 1 68 68 GLY H H 1 8.35 0.02 . 1 . . . . . 68 GLY H . 27062 1 608 . 1 1 68 68 GLY HA2 H 1 3.797 0.02 . 2 . . . . . 68 GLY HA2 . 27062 1 609 . 1 1 68 68 GLY HA3 H 1 3.533 0.02 . 2 . . . . . 68 GLY HA3 . 27062 1 610 . 1 1 68 68 GLY CA C 13 45.363 0.3 . 1 . . . . . 68 GLY CA . 27062 1 611 . 1 1 68 68 GLY N N 15 104.658 0.3 . 1 . . . . . 68 GLY N . 27062 1 612 . 1 1 69 69 ILE H H 1 7.625 0.02 . 1 . . . . . 69 ILE H . 27062 1 613 . 1 1 69 69 ILE HA H 1 4.18 0.02 . 1 . . . . . 69 ILE HA . 27062 1 614 . 1 1 69 69 ILE HB H 1 1.795 0.02 . 1 . . . . . 69 ILE HB . 27062 1 615 . 1 1 69 69 ILE HG12 H 1 1.25 0.02 . 2 . . . . . 69 ILE HG12 . 27062 1 616 . 1 1 69 69 ILE HG13 H 1 1.101 0.02 . 2 . . . . . 69 ILE HG13 . 27062 1 617 . 1 1 69 69 ILE HG21 H 1 0.704 0.02 . 1 . . . . . 69 ILE HG2 . 27062 1 618 . 1 1 69 69 ILE HG22 H 1 0.704 0.02 . 1 . . . . . 69 ILE HG2 . 27062 1 619 . 1 1 69 69 ILE HG23 H 1 0.704 0.02 . 1 . . . . . 69 ILE HG2 . 27062 1 620 . 1 1 69 69 ILE CA C 13 60.892 0.3 . 1 . . . . . 69 ILE CA . 27062 1 621 . 1 1 69 69 ILE CB C 13 45.309 0.3 . 1 . . . . . 69 ILE CB . 27062 1 622 . 1 1 69 69 ILE CG1 C 13 31.427 0.3 . 1 . . . . . 69 ILE CG1 . 27062 1 623 . 1 1 69 69 ILE CG2 C 13 21.083 0.3 . 1 . . . . . 69 ILE CG2 . 27062 1 624 . 1 1 69 69 ILE N N 15 119.913 0.3 . 1 . . . . . 69 ILE N . 27062 1 625 . 1 1 70 70 ALA H H 1 7.905 0.02 . 1 . . . . . 70 ALA H . 27062 1 626 . 1 1 70 70 ALA HA H 1 5.018 0.02 . 1 . . . . . 70 ALA HA . 27062 1 627 . 1 1 70 70 ALA HB1 H 1 0.916 0.02 . 1 . . . . . 70 ALA HB . 27062 1 628 . 1 1 70 70 ALA HB2 H 1 0.916 0.02 . 1 . . . . . 70 ALA HB . 27062 1 629 . 1 1 70 70 ALA HB3 H 1 0.916 0.02 . 1 . . . . . 70 ALA HB . 27062 1 630 . 1 1 70 70 ALA CA C 13 51.438 0.3 . 1 . . . . . 70 ALA CA . 27062 1 631 . 1 1 70 70 ALA CB C 13 21.653 0.3 . 1 . . . . . 70 ALA CB . 27062 1 632 . 1 1 70 70 ALA N N 15 119.086 0.3 . 1 . . . . . 70 ALA N . 27062 1 633 . 1 1 71 71 THR H H 1 8.264 0.02 . 1 . . . . . 71 THR H . 27062 1 634 . 1 1 71 71 THR HA H 1 4.692 0.02 . 1 . . . . . 71 THR HA . 27062 1 635 . 1 1 71 71 THR HB H 1 3.914 0.02 . 1 . . . . . 71 THR HB . 27062 1 636 . 1 1 71 71 THR HG21 H 1 1.047 0.02 . 1 . . . . . 71 THR HG2 . 27062 1 637 . 1 1 71 71 THR HG22 H 1 1.047 0.02 . 1 . . . . . 71 THR HG2 . 27062 1 638 . 1 1 71 71 THR HG23 H 1 1.047 0.02 . 1 . . . . . 71 THR HG2 . 27062 1 639 . 1 1 71 71 THR CA C 13 58.98 0.3 . 1 . . . . . 71 THR CA . 27062 1 640 . 1 1 71 71 THR CB C 13 71.452 0.3 . 1 . . . . . 71 THR CB . 27062 1 641 . 1 1 71 71 THR CG2 C 13 21.656 0.3 . 1 . . . . . 71 THR CG2 . 27062 1 642 . 1 1 71 71 THR N N 15 112.443 0.3 . 1 . . . . . 71 THR N . 27062 1 643 . 1 1 72 72 VAL H H 1 8.558 0.02 . 1 . . . . . 72 VAL H . 27062 1 644 . 1 1 72 72 VAL HA H 1 5.105 0.02 . 1 . . . . . 72 VAL HA . 27062 1 645 . 1 1 72 72 VAL HB H 1 1.7 0.02 . 1 . . . . . 72 VAL HB . 27062 1 646 . 1 1 72 72 VAL HG11 H 1 0.775 0.02 . 1 . . . . . 72 VAL HG1 . 27062 1 647 . 1 1 72 72 VAL HG12 H 1 0.775 0.02 . 1 . . . . . 72 VAL HG1 . 27062 1 648 . 1 1 72 72 VAL HG13 H 1 0.775 0.02 . 1 . . . . . 72 VAL HG1 . 27062 1 649 . 1 1 72 72 VAL HG21 H 1 0.775 0.02 . 1 . . . . . 72 VAL HG2 . 27062 1 650 . 1 1 72 72 VAL HG22 H 1 0.775 0.02 . 1 . . . . . 72 VAL HG2 . 27062 1 651 . 1 1 72 72 VAL HG23 H 1 0.775 0.02 . 1 . . . . . 72 VAL HG2 . 27062 1 652 . 1 1 72 72 VAL C C 13 175.23 0.3 . 1 . . . . . 72 VAL C . 27062 1 653 . 1 1 72 72 VAL CA C 13 58.496 0.3 . 1 . . . . . 72 VAL CA . 27062 1 654 . 1 1 72 72 VAL CB C 13 35.751 0.3 . 1 . . . . . 72 VAL CB . 27062 1 655 . 1 1 72 72 VAL CG1 C 13 20.955 0.3 . 1 . . . . . 72 VAL CG1 . 27062 1 656 . 1 1 72 72 VAL CG2 C 13 20.955 0.3 . 1 . . . . . 72 VAL CG2 . 27062 1 657 . 1 1 72 72 VAL N N 15 118.274 0.3 . 1 . . . . . 72 VAL N . 27062 1 658 . 1 1 73 73 ASP H H 1 7.81 0.02 . 1 . . . . . 73 ASP H . 27062 1 659 . 1 1 73 73 ASP HA H 1 4.712 0.02 . 1 . . . . . 73 ASP HA . 27062 1 660 . 1 1 73 73 ASP HB2 H 1 3.116 0.02 . 1 . . . . . 73 ASP HB2 . 27062 1 661 . 1 1 73 73 ASP HB3 H 1 3.116 0.02 . 1 . . . . . 73 ASP HB3 . 27062 1 662 . 1 1 73 73 ASP C C 13 176.004 0.3 . 1 . . . . . 73 ASP C . 27062 1 663 . 1 1 73 73 ASP CA C 13 51.852 0.3 . 1 . . . . . 73 ASP CA . 27062 1 664 . 1 1 73 73 ASP CB C 13 40.92 0.3 . 1 . . . . . 73 ASP CB . 27062 1 665 . 1 1 73 73 ASP N N 15 129.046 0.3 . 1 . . . . . 73 ASP N . 27062 1 666 . 1 1 74 74 GLY H H 1 7.962 0.02 . 1 . . . . . 74 GLY H . 27062 1 667 . 1 1 74 74 GLY HA2 H 1 3.731 0.02 . 2 . . . . . 74 GLY HA2 . 27062 1 668 . 1 1 74 74 GLY HA3 H 1 4.411 0.02 . 2 . . . . . 74 GLY HA3 . 27062 1 669 . 1 1 74 74 GLY CA C 13 46.266 0.3 . 1 . . . . . 74 GLY CA . 27062 1 670 . 1 1 74 74 GLY N N 15 100.377 0.3 . 1 . . . . . 74 GLY N . 27062 1 671 . 1 1 75 75 LEU H H 1 7.906 0.02 . 1 . . . . . 75 LEU H . 27062 1 672 . 1 1 75 75 LEU HA H 1 4.477 0.02 . 1 . . . . . 75 LEU HA . 27062 1 673 . 1 1 75 75 LEU HB2 H 1 1.785 0.02 . 1 . . . . . 75 LEU HB2 . 27062 1 674 . 1 1 75 75 LEU HB3 H 1 1.785 0.02 . 1 . . . . . 75 LEU HB3 . 27062 1 675 . 1 1 75 75 LEU HG H 1 1.473 0.02 . 1 . . . . . 75 LEU HG . 27062 1 676 . 1 1 75 75 LEU HD11 H 1 0.799 0.02 . 1 . . . . . 75 LEU HD1 . 27062 1 677 . 1 1 75 75 LEU HD12 H 1 0.799 0.02 . 1 . . . . . 75 LEU HD1 . 27062 1 678 . 1 1 75 75 LEU HD13 H 1 0.799 0.02 . 1 . . . . . 75 LEU HD1 . 27062 1 679 . 1 1 75 75 LEU HD21 H 1 0.799 0.02 . 1 . . . . . 75 LEU HD2 . 27062 1 680 . 1 1 75 75 LEU HD22 H 1 0.799 0.02 . 1 . . . . . 75 LEU HD2 . 27062 1 681 . 1 1 75 75 LEU HD23 H 1 0.799 0.02 . 1 . . . . . 75 LEU HD2 . 27062 1 682 . 1 1 75 75 LEU C C 13 174.943 0.3 . 1 . . . . . 75 LEU C . 27062 1 683 . 1 1 75 75 LEU CA C 13 52.573 0.3 . 1 . . . . . 75 LEU CA . 27062 1 684 . 1 1 75 75 LEU CB C 13 38.82 0.3 . 1 . . . . . 75 LEU CB . 27062 1 685 . 1 1 75 75 LEU CG C 13 27.033 0.3 . 1 . . . . . 75 LEU CG . 27062 1 686 . 1 1 75 75 LEU N N 15 118.634 0.3 . 1 . . . . . 75 LEU N . 27062 1 687 . 1 1 76 76 GLY H H 1 8.35 0.02 . 1 . . . . . 76 GLY H . 27062 1 688 . 1 1 76 76 GLY HA2 H 1 3.88 0.02 . 1 . . . . . 76 GLY HA2 . 27062 1 689 . 1 1 76 76 GLY HA3 H 1 3.88 0.02 . 1 . . . . . 76 GLY HA3 . 27062 1 690 . 1 1 76 76 GLY CA C 13 45.385 0.3 . 1 . . . . . 76 GLY CA . 27062 1 691 . 1 1 76 76 GLY N N 15 109.286 0.3 . 1 . . . . . 76 GLY N . 27062 1 692 . 1 1 77 77 MET H H 1 8.192 0.02 . 1 . . . . . 77 MET H . 27062 1 693 . 1 1 77 77 MET HA H 1 4.94 0.02 . 1 . . . . . 77 MET HA . 27062 1 694 . 1 1 77 77 MET HB2 H 1 1.756 0.02 . 1 . . . . . 77 MET HB2 . 27062 1 695 . 1 1 77 77 MET HB3 H 1 1.756 0.02 . 1 . . . . . 77 MET HB3 . 27062 1 696 . 1 1 77 77 MET CA C 13 53.857 0.3 . 1 . . . . . 77 MET CA . 27062 1 697 . 1 1 77 77 MET CB C 13 41.998 0.3 . 1 . . . . . 77 MET CB . 27062 1 698 . 1 1 77 77 MET N N 15 121.294 0.3 . 1 . . . . . 77 MET N . 27062 1 699 . 1 1 78 78 VAL H H 1 7.98 0.02 . 1 . . . . . 78 VAL H . 27062 1 700 . 1 1 78 78 VAL HA H 1 4.014 0.02 . 1 . . . . . 78 VAL HA . 27062 1 701 . 1 1 78 78 VAL HB H 1 2.061 0.02 . 1 . . . . . 78 VAL HB . 27062 1 702 . 1 1 78 78 VAL HG11 H 1 0.891 0.02 . 1 . . . . . 78 VAL HG1 . 27062 1 703 . 1 1 78 78 VAL HG12 H 1 0.891 0.02 . 1 . . . . . 78 VAL HG1 . 27062 1 704 . 1 1 78 78 VAL HG13 H 1 0.891 0.02 . 1 . . . . . 78 VAL HG1 . 27062 1 705 . 1 1 78 78 VAL HG21 H 1 0.891 0.02 . 1 . . . . . 78 VAL HG2 . 27062 1 706 . 1 1 78 78 VAL HG22 H 1 0.891 0.02 . 1 . . . . . 78 VAL HG2 . 27062 1 707 . 1 1 78 78 VAL HG23 H 1 0.891 0.02 . 1 . . . . . 78 VAL HG2 . 27062 1 708 . 1 1 78 78 VAL CA C 13 62.714 0.3 . 1 . . . . . 78 VAL CA . 27062 1 709 . 1 1 78 78 VAL CB C 13 32.201 0.3 . 1 . . . . . 78 VAL CB . 27062 1 710 . 1 1 78 78 VAL CG1 C 13 20.7 0.3 . 1 . . . . . 78 VAL CG1 . 27062 1 711 . 1 1 78 78 VAL CG2 C 13 20.7 0.3 . 1 . . . . . 78 VAL CG2 . 27062 1 712 . 1 1 78 78 VAL N N 15 120.128 0.3 . 1 . . . . . 78 VAL N . 27062 1 713 . 1 1 79 79 THR H H 1 8.139 0.02 . 1 . . . . . 79 THR H . 27062 1 714 . 1 1 79 79 THR HA H 1 4.061 0.02 . 1 . . . . . 79 THR HA . 27062 1 715 . 1 1 79 79 THR HG21 H 1 0.828 0.02 . 1 . . . . . 79 THR HG2 . 27062 1 716 . 1 1 79 79 THR HG22 H 1 0.828 0.02 . 1 . . . . . 79 THR HG2 . 27062 1 717 . 1 1 79 79 THR HG23 H 1 0.828 0.02 . 1 . . . . . 79 THR HG2 . 27062 1 718 . 1 1 79 79 THR C C 13 175.144 0.3 . 1 . . . . . 79 THR C . 27062 1 719 . 1 1 79 79 THR CA C 13 61.546 0.3 . 1 . . . . . 79 THR CA . 27062 1 720 . 1 1 79 79 THR CB C 13 70.144 0.3 . 1 . . . . . 79 THR CB . 27062 1 721 . 1 1 79 79 THR CG2 C 13 23.892 0.3 . 1 . . . . . 79 THR CG2 . 27062 1 722 . 1 1 79 79 THR N N 15 124.138 0.3 . 1 . . . . . 79 THR N . 27062 1 723 . 1 1 80 80 GLY H H 1 8.784 0.02 . 1 . . . . . 80 GLY H . 27062 1 724 . 1 1 80 80 GLY HA2 H 1 3.945 0.02 . 2 . . . . . 80 GLY HA2 . 27062 1 725 . 1 1 80 80 GLY HA3 H 1 3.352 0.02 . 2 . . . . . 80 GLY HA3 . 27062 1 726 . 1 1 80 80 GLY C C 13 172.631 0.3 . 1 . . . . . 80 GLY C . 27062 1 727 . 1 1 80 80 GLY CA C 13 47.671 0.3 . 1 . . . . . 80 GLY CA . 27062 1 728 . 1 1 80 80 GLY N N 15 111.702 0.3 . 1 . . . . . 80 GLY N . 27062 1 729 . 1 1 81 81 MET H H 1 9.025 0.02 . 1 . . . . . 81 MET H . 27062 1 730 . 1 1 81 81 MET HA H 1 4.671 0.02 . 1 . . . . . 81 MET HA . 27062 1 731 . 1 1 81 81 MET HB2 H 1 1.795 0.02 . 1 . . . . . 81 MET HB2 . 27062 1 732 . 1 1 81 81 MET HB3 H 1 1.795 0.02 . 1 . . . . . 81 MET HB3 . 27062 1 733 . 1 1 81 81 MET HG2 H 1 2.304 0.02 . 1 . . . . . 81 MET HG2 . 27062 1 734 . 1 1 81 81 MET HG3 H 1 2.304 0.02 . 1 . . . . . 81 MET HG3 . 27062 1 735 . 1 1 81 81 MET C C 13 175.488 0.3 . 1 . . . . . 81 MET C . 27062 1 736 . 1 1 81 81 MET CA C 13 55.328 0.3 . 1 . . . . . 81 MET CA . 27062 1 737 . 1 1 81 81 MET CB C 13 31.873 0.3 . 1 . . . . . 81 MET CB . 27062 1 738 . 1 1 81 81 MET CG C 13 33.725 0.3 . 1 . . . . . 81 MET CG . 27062 1 739 . 1 1 81 81 MET N N 15 127.158 0.3 . 1 . . . . . 81 MET N . 27062 1 740 . 1 1 82 82 ASN H H 1 8.478 0.02 . 1 . . . . . 82 ASN H . 27062 1 741 . 1 1 82 82 ASN HA H 1 4.89 0.02 . 1 . . . . . 82 ASN HA . 27062 1 742 . 1 1 82 82 ASN HB2 H 1 2.473 0.02 . 1 . . . . . 82 ASN HB2 . 27062 1 743 . 1 1 82 82 ASN HB3 H 1 2.473 0.02 . 1 . . . . . 82 ASN HB3 . 27062 1 744 . 1 1 82 82 ASN C C 13 170.385 0.3 . 1 . . . . . 82 ASN C . 27062 1 745 . 1 1 82 82 ASN CA C 13 52.298 0.3 . 1 . . . . . 82 ASN CA . 27062 1 746 . 1 1 82 82 ASN CB C 13 42.411 0.3 . 1 . . . . . 82 ASN CB . 27062 1 747 . 1 1 82 82 ASN N N 15 118.691 0.3 . 1 . . . . . 82 ASN N . 27062 1 748 . 1 1 84 84 GLY H H 1 8.194 0.02 . 1 . . . . . 84 GLY H . 27062 1 749 . 1 1 84 84 GLY HA2 H 1 3.814 0.02 . 2 . . . . . 84 GLY HA2 . 27062 1 750 . 1 1 84 84 GLY HA3 H 1 4.385 0.02 . 2 . . . . . 84 GLY HA3 . 27062 1 751 . 1 1 84 84 GLY CA C 13 44.397 0.3 . 1 . . . . . 84 GLY CA . 27062 1 752 . 1 1 84 84 GLY N N 15 109.261 0.3 . 1 . . . . . 84 GLY N . 27062 1 753 . 1 1 85 85 VAL H H 1 8.142 0.02 . 1 . . . . . 85 VAL H . 27062 1 754 . 1 1 85 85 VAL HA H 1 5.039 0.02 . 1 . . . . . 85 VAL HA . 27062 1 755 . 1 1 85 85 VAL HB H 1 1.819 0.02 . 1 . . . . . 85 VAL HB . 27062 1 756 . 1 1 85 85 VAL HG11 H 1 0.758 0.02 . 1 . . . . . 85 VAL HG1 . 27062 1 757 . 1 1 85 85 VAL HG12 H 1 0.758 0.02 . 1 . . . . . 85 VAL HG1 . 27062 1 758 . 1 1 85 85 VAL HG13 H 1 0.758 0.02 . 1 . . . . . 85 VAL HG1 . 27062 1 759 . 1 1 85 85 VAL HG21 H 1 0.758 0.02 . 1 . . . . . 85 VAL HG2 . 27062 1 760 . 1 1 85 85 VAL HG22 H 1 0.758 0.02 . 1 . . . . . 85 VAL HG2 . 27062 1 761 . 1 1 85 85 VAL HG23 H 1 0.758 0.02 . 1 . . . . . 85 VAL HG2 . 27062 1 762 . 1 1 85 85 VAL C C 13 174.599 0.3 . 1 . . . . . 85 VAL C . 27062 1 763 . 1 1 85 85 VAL CA C 13 60.711 0.3 . 1 . . . . . 85 VAL CA . 27062 1 764 . 1 1 85 85 VAL CB C 13 33.886 0.3 . 1 . . . . . 85 VAL CB . 27062 1 765 . 1 1 85 85 VAL CG1 C 13 20.445 0.3 . 1 . . . . . 85 VAL CG1 . 27062 1 766 . 1 1 85 85 VAL CG2 C 13 20.445 0.3 . 1 . . . . . 85 VAL CG2 . 27062 1 767 . 1 1 85 85 VAL N N 15 118.698 0.3 . 1 . . . . . 85 VAL N . 27062 1 768 . 1 1 86 86 ALA H H 1 9.381 0.02 . 1 . . . . . 86 ALA H . 27062 1 769 . 1 1 86 86 ALA HA H 1 4.869 0.02 . 1 . . . . . 86 ALA HA . 27062 1 770 . 1 1 86 86 ALA HB1 H 1 1.24 0.02 . 1 . . . . . 86 ALA HB . 27062 1 771 . 1 1 86 86 ALA HB2 H 1 1.24 0.02 . 1 . . . . . 86 ALA HB . 27062 1 772 . 1 1 86 86 ALA HB3 H 1 1.24 0.02 . 1 . . . . . 86 ALA HB . 27062 1 773 . 1 1 86 86 ALA CA C 13 49.201 0.3 . 1 . . . . . 86 ALA CA . 27062 1 774 . 1 1 86 86 ALA CB C 13 23.697 0.3 . 1 . . . . . 86 ALA CB . 27062 1 775 . 1 1 86 86 ALA N N 15 128.131 0.3 . 1 . . . . . 86 ALA N . 27062 1 776 . 1 1 87 87 THR H H 1 8.083 0.02 . 1 . . . . . 87 THR H . 27062 1 777 . 1 1 87 87 THR HA H 1 5.072 0.02 . 1 . . . . . 87 THR HA . 27062 1 778 . 1 1 87 87 THR HB H 1 4.809 0.02 . 1 . . . . . 87 THR HB . 27062 1 779 . 1 1 87 87 THR HG21 H 1 1.163 0.02 . 1 . . . . . 87 THR HG2 . 27062 1 780 . 1 1 87 87 THR HG22 H 1 1.163 0.02 . 1 . . . . . 87 THR HG2 . 27062 1 781 . 1 1 87 87 THR HG23 H 1 1.163 0.02 . 1 . . . . . 87 THR HG2 . 27062 1 782 . 1 1 87 87 THR CA C 13 62.409 0.3 . 1 . . . . . 87 THR CA . 27062 1 783 . 1 1 87 87 THR CB C 13 69.598 0.3 . 1 . . . . . 87 THR CB . 27062 1 784 . 1 1 87 87 THR CG2 C 13 23.574 0.3 . 1 . . . . . 87 THR CG2 . 27062 1 785 . 1 1 87 87 THR N N 15 117.218 0.3 . 1 . . . . . 87 THR N . 27062 1 786 . 1 1 88 88 ILE H H 1 9.141 0.02 . 1 . . . . . 88 ILE H . 27062 1 787 . 1 1 88 88 ILE HA H 1 5.001 0.02 . 1 . . . . . 88 ILE HA . 27062 1 788 . 1 1 88 88 ILE HB H 1 1.772 0.02 . 1 . . . . . 88 ILE HB . 27062 1 789 . 1 1 88 88 ILE HG12 H 1 1.115 0.02 . 1 . . . . . 88 ILE HG12 . 27062 1 790 . 1 1 88 88 ILE HG13 H 1 1.115 0.02 . 1 . . . . . 88 ILE HG13 . 27062 1 791 . 1 1 88 88 ILE HG21 H 1 0.761 0.02 . 1 . . . . . 88 ILE HG2 . 27062 1 792 . 1 1 88 88 ILE HG22 H 1 0.761 0.02 . 1 . . . . . 88 ILE HG2 . 27062 1 793 . 1 1 88 88 ILE HG23 H 1 0.761 0.02 . 1 . . . . . 88 ILE HG2 . 27062 1 794 . 1 1 88 88 ILE HD11 H 1 0.659 0.02 . 1 . . . . . 88 ILE HD1 . 27062 1 795 . 1 1 88 88 ILE HD12 H 1 0.659 0.02 . 1 . . . . . 88 ILE HD1 . 27062 1 796 . 1 1 88 88 ILE HD13 H 1 0.659 0.02 . 1 . . . . . 88 ILE HD1 . 27062 1 797 . 1 1 88 88 ILE C C 13 174.226 0.3 . 1 . . . . . 88 ILE C . 27062 1 798 . 1 1 88 88 ILE CA C 13 56.901 0.3 . 1 . . . . . 88 ILE CA . 27062 1 799 . 1 1 88 88 ILE CB C 13 38.715 0.3 . 1 . . . . . 88 ILE CB . 27062 1 800 . 1 1 88 88 ILE CG1 C 13 26.702 0.3 . 1 . . . . . 88 ILE CG1 . 27062 1 801 . 1 1 88 88 ILE CG2 C 13 20.955 0.3 . 1 . . . . . 88 ILE CG2 . 27062 1 802 . 1 1 88 88 ILE CD1 C 13 18.544 0.3 . 1 . . . . . 88 ILE CD1 . 27062 1 803 . 1 1 88 88 ILE N N 15 129.479 0.3 . 1 . . . . . 88 ILE N . 27062 1 804 . 1 1 89 89 SER H H 1 9.627 0.02 . 1 . . . . . 89 SER H . 27062 1 805 . 1 1 89 89 SER HA H 1 5.48 0.02 . 1 . . . . . 89 SER HA . 27062 1 806 . 1 1 89 89 SER HB2 H 1 3.291 0.02 . 2 . . . . . 89 SER HB2 . 27062 1 807 . 1 1 89 89 SER HB3 H 1 3.615 0.02 . 2 . . . . . 89 SER HB3 . 27062 1 808 . 1 1 89 89 SER CA C 13 55.367 0.3 . 1 . . . . . 89 SER CA . 27062 1 809 . 1 1 89 89 SER CB C 13 67.762 0.3 . 1 . . . . . 89 SER CB . 27062 1 810 . 1 1 89 89 SER N N 15 119.556 0.3 . 1 . . . . . 89 SER N . 27062 1 811 . 1 1 90 90 ALA H H 1 8.275 0.02 . 1 . . . . . 90 ALA H . 27062 1 812 . 1 1 90 90 ALA HA H 1 4.473 0.02 . 1 . . . . . 90 ALA HA . 27062 1 813 . 1 1 90 90 ALA CA C 13 50.157 0.3 . 1 . . . . . 90 ALA CA . 27062 1 814 . 1 1 90 90 ALA CB C 13 19.312 0.3 . 1 . . . . . 90 ALA CB . 27062 1 815 . 1 1 90 90 ALA N N 15 122.76 0.3 . 1 . . . . . 90 ALA N . 27062 1 816 . 1 1 91 91 THR H H 1 8.167 0.02 . 1 . . . . . 91 THR H . 27062 1 817 . 1 1 91 91 THR HA H 1 4.89 0.02 . 1 . . . . . 91 THR HA . 27062 1 818 . 1 1 91 91 THR HB H 1 4.291 0.02 . 1 . . . . . 91 THR HB . 27062 1 819 . 1 1 91 91 THR HG21 H 1 1.237 0.02 . 1 . . . . . 91 THR HG2 . 27062 1 820 . 1 1 91 91 THR HG22 H 1 1.237 0.02 . 1 . . . . . 91 THR HG2 . 27062 1 821 . 1 1 91 91 THR HG23 H 1 1.237 0.02 . 1 . . . . . 91 THR HG2 . 27062 1 822 . 1 1 91 91 THR CA C 13 61.435 0.3 . 1 . . . . . 91 THR CA . 27062 1 823 . 1 1 91 91 THR CB C 13 71.601 0.3 . 1 . . . . . 91 THR CB . 27062 1 824 . 1 1 91 91 THR CG2 C 13 20.955 0.3 . 1 . . . . . 91 THR CG2 . 27062 1 825 . 1 1 91 91 THR N N 15 116.696 0.3 . 1 . . . . . 91 THR N . 27062 1 826 . 1 1 92 92 GLU H H 1 8.713 0.02 . 1 . . . . . 92 GLU H . 27062 1 827 . 1 1 92 92 GLU HA H 1 4.374 0.02 . 1 . . . . . 92 GLU HA . 27062 1 828 . 1 1 92 92 GLU HB3 H 1 1.642 0.02 . 1 . . . . . 92 GLU HB3 . 27062 1 829 . 1 1 92 92 GLU HG2 H 1 1.773 0.02 . 1 . . . . . 92 GLU HG2 . 27062 1 830 . 1 1 92 92 GLU HG3 H 1 1.773 0.02 . 1 . . . . . 92 GLU HG3 . 27062 1 831 . 1 1 92 92 GLU C C 13 176.176 0.3 . 1 . . . . . 92 GLU C . 27062 1 832 . 1 1 92 92 GLU CA C 13 56.539 0.3 . 1 . . . . . 92 GLU CA . 27062 1 833 . 1 1 92 92 GLU CB C 13 31.749 0.3 . 1 . . . . . 92 GLU CB . 27062 1 834 . 1 1 92 92 GLU CG C 13 34.747 0.3 . 1 . . . . . 92 GLU CG . 27062 1 835 . 1 1 92 92 GLU N N 15 126.674 0.3 . 1 . . . . . 92 GLU N . 27062 1 836 . 1 1 93 93 GLY H H 1 8.958 0.02 . 1 . . . . . 93 GLY H . 27062 1 837 . 1 1 93 93 GLY HA2 H 1 3.517 0.02 . 1 . . . . . 93 GLY HA2 . 27062 1 838 . 1 1 93 93 GLY HA3 H 1 3.517 0.02 . 1 . . . . . 93 GLY HA3 . 27062 1 839 . 1 1 93 93 GLY C C 13 174.914 0.3 . 1 . . . . . 93 GLY C . 27062 1 840 . 1 1 93 93 GLY CA C 13 46.951 0.3 . 1 . . . . . 93 GLY CA . 27062 1 841 . 1 1 93 93 GLY N N 15 116.544 0.3 . 1 . . . . . 93 GLY N . 27062 1 842 . 1 1 94 94 THR H H 1 8.468 0.02 . 1 . . . . . 94 THR H . 27062 1 843 . 1 1 94 94 THR HA H 1 4.114 0.02 . 1 . . . . . 94 THR HA . 27062 1 844 . 1 1 94 94 THR HB H 1 4.427 0.02 . 1 . . . . . 94 THR HB . 27062 1 845 . 1 1 94 94 THR HG21 H 1 1.115 0.02 . 1 . . . . . 94 THR HG2 . 27062 1 846 . 1 1 94 94 THR HG22 H 1 1.115 0.02 . 1 . . . . . 94 THR HG2 . 27062 1 847 . 1 1 94 94 THR HG23 H 1 1.115 0.02 . 1 . . . . . 94 THR HG2 . 27062 1 848 . 1 1 94 94 THR C C 13 173.882 0.3 . 1 . . . . . 94 THR C . 27062 1 849 . 1 1 94 94 THR CA C 13 61.733 0.3 . 1 . . . . . 94 THR CA . 27062 1 850 . 1 1 94 94 THR CB C 13 68.664 0.3 . 1 . . . . . 94 THR CB . 27062 1 851 . 1 1 94 94 THR CG2 C 13 21.338 0.3 . 1 . . . . . 94 THR CG2 . 27062 1 852 . 1 1 94 94 THR N N 15 117.274 0.3 . 1 . . . . . 94 THR N . 27062 1 853 . 1 1 95 95 ILE H H 1 7.892 0.02 . 1 . . . . . 95 ILE H . 27062 1 854 . 1 1 95 95 ILE HA H 1 4.03 0.02 . 1 . . . . . 95 ILE HA . 27062 1 855 . 1 1 95 95 ILE HB H 1 1.82 0.02 . 1 . . . . . 95 ILE HB . 27062 1 856 . 1 1 95 95 ILE HG12 H 1 1.398 0.02 . 1 . . . . . 95 ILE HG12 . 27062 1 857 . 1 1 95 95 ILE HG13 H 1 1.398 0.02 . 1 . . . . . 95 ILE HG13 . 27062 1 858 . 1 1 95 95 ILE HG21 H 1 0.621 0.02 . 1 . . . . . 95 ILE HG2 . 27062 1 859 . 1 1 95 95 ILE HG22 H 1 0.621 0.02 . 1 . . . . . 95 ILE HG2 . 27062 1 860 . 1 1 95 95 ILE HG23 H 1 0.621 0.02 . 1 . . . . . 95 ILE HG2 . 27062 1 861 . 1 1 95 95 ILE HD11 H 1 0.503 0.02 . 1 . . . . . 95 ILE HD1 . 27062 1 862 . 1 1 95 95 ILE HD12 H 1 0.503 0.02 . 1 . . . . . 95 ILE HD1 . 27062 1 863 . 1 1 95 95 ILE HD13 H 1 0.503 0.02 . 1 . . . . . 95 ILE HD1 . 27062 1 864 . 1 1 95 95 ILE C C 13 173.051 0.3 . 1 . . . . . 95 ILE C . 27062 1 865 . 1 1 95 95 ILE CA C 13 61.021 0.3 . 1 . . . . . 95 ILE CA . 27062 1 866 . 1 1 95 95 ILE CB C 13 43.554 0.3 . 1 . . . . . 95 ILE CB . 27062 1 867 . 1 1 95 95 ILE CG1 C 13 26.829 0.3 . 1 . . . . . 95 ILE CG1 . 27062 1 868 . 1 1 95 95 ILE CG2 C 13 17.635 0.3 . 1 . . . . . 95 ILE CG2 . 27062 1 869 . 1 1 95 95 ILE N N 15 124.587 0.3 . 1 . . . . . 95 ILE N . 27062 1 870 . 1 1 96 96 GLN H H 1 8.288 0.02 . 1 . . . . . 96 GLN H . 27062 1 871 . 1 1 96 96 GLN HA H 1 5.166 0.02 . 1 . . . . . 96 GLN HA . 27062 1 872 . 1 1 96 96 GLN HB2 H 1 1.798 0.02 . 1 . . . . . 96 GLN HB2 . 27062 1 873 . 1 1 96 96 GLN HB3 H 1 1.798 0.02 . 1 . . . . . 96 GLN HB3 . 27062 1 874 . 1 1 96 96 GLN HG2 H 1 2.246 0.02 . 1 . . . . . 96 GLN HG2 . 27062 1 875 . 1 1 96 96 GLN HG3 H 1 2.246 0.02 . 1 . . . . . 96 GLN HG3 . 27062 1 876 . 1 1 96 96 GLN C C 13 173.767 0.3 . 1 . . . . . 96 GLN C . 27062 1 877 . 1 1 96 96 GLN CA C 13 54.134 0.3 . 1 . . . . . 96 GLN CA . 27062 1 878 . 1 1 96 96 GLN CB C 13 34.272 0.3 . 1 . . . . . 96 GLN CB . 27062 1 879 . 1 1 96 96 GLN CG C 13 32.065 0.3 . 1 . . . . . 96 GLN CG . 27062 1 880 . 1 1 96 96 GLN N N 15 125.456 0.3 . 1 . . . . . 96 GLN N . 27062 1 881 . 1 1 97 97 ALA H H 1 8.809 0.02 . 1 . . . . . 97 ALA H . 27062 1 882 . 1 1 97 97 ALA HA H 1 4.82 0.02 . 1 . . . . . 97 ALA HA . 27062 1 883 . 1 1 97 97 ALA HB1 H 1 1.188 0.02 . 1 . . . . . 97 ALA HB . 27062 1 884 . 1 1 97 97 ALA HB2 H 1 1.188 0.02 . 1 . . . . . 97 ALA HB . 27062 1 885 . 1 1 97 97 ALA HB3 H 1 1.188 0.02 . 1 . . . . . 97 ALA HB . 27062 1 886 . 1 1 97 97 ALA CA C 13 50.233 0.3 . 1 . . . . . 97 ALA CA . 27062 1 887 . 1 1 97 97 ALA CB C 13 23.57 0.3 . 1 . . . . . 97 ALA CB . 27062 1 888 . 1 1 97 97 ALA N N 15 127.896 0.3 . 1 . . . . . 97 ALA N . 27062 1 889 . 1 1 98 98 THR H H 1 8.233 0.02 . 1 . . . . . 98 THR H . 27062 1 890 . 1 1 98 98 THR HA H 1 5.529 0.02 . 1 . . . . . 98 THR HA . 27062 1 891 . 1 1 98 98 THR HB H 1 4.014 0.02 . 1 . . . . . 98 THR HB . 27062 1 892 . 1 1 98 98 THR HG21 H 1 1.188 0.02 . 1 . . . . . 98 THR HG2 . 27062 1 893 . 1 1 98 98 THR HG22 H 1 1.188 0.02 . 1 . . . . . 98 THR HG2 . 27062 1 894 . 1 1 98 98 THR HG23 H 1 1.188 0.02 . 1 . . . . . 98 THR HG2 . 27062 1 895 . 1 1 98 98 THR C C 13 173.614 0.3 . 1 . . . . . 98 THR C . 27062 1 896 . 1 1 98 98 THR CA C 13 59.775 0.3 . 1 . . . . . 98 THR CA . 27062 1 897 . 1 1 98 98 THR CB C 13 73.147 0.3 . 1 . . . . . 98 THR CB . 27062 1 898 . 1 1 98 98 THR CG2 C 13 21.083 0.3 . 1 . . . . . 98 THR CG2 . 27062 1 899 . 1 1 98 98 THR N N 15 107.324 0.3 . 1 . . . . . 98 THR N . 27062 1 900 . 1 1 99 99 ALA H H 1 9.072 0.02 . 1 . . . . . 99 ALA H . 27062 1 901 . 1 1 99 99 ALA HA H 1 4.874 0.02 . 1 . . . . . 99 ALA HA . 27062 1 902 . 1 1 99 99 ALA HB1 H 1 1.11 0.02 . 1 . . . . . 99 ALA HB . 27062 1 903 . 1 1 99 99 ALA HB2 H 1 1.11 0.02 . 1 . . . . . 99 ALA HB . 27062 1 904 . 1 1 99 99 ALA HB3 H 1 1.11 0.02 . 1 . . . . . 99 ALA HB . 27062 1 905 . 1 1 99 99 ALA CA C 13 50.74 0.3 . 1 . . . . . 99 ALA CA . 27062 1 906 . 1 1 99 99 ALA CB C 13 23.613 0.3 . 1 . . . . . 99 ALA CB . 27062 1 907 . 1 1 99 99 ALA N N 15 122.17 0.3 . 1 . . . . . 99 ALA N . 27062 1 908 . 1 1 100 100 ALA H H 1 8.056 0.02 . 1 . . . . . 100 ALA H . 27062 1 909 . 1 1 100 100 ALA HA H 1 5.056 0.02 . 1 . . . . . 100 ALA HA . 27062 1 910 . 1 1 100 100 ALA HB1 H 1 1.287 0.02 . 1 . . . . . 100 ALA HB . 27062 1 911 . 1 1 100 100 ALA HB2 H 1 1.287 0.02 . 1 . . . . . 100 ALA HB . 27062 1 912 . 1 1 100 100 ALA HB3 H 1 1.287 0.02 . 1 . . . . . 100 ALA HB . 27062 1 913 . 1 1 100 100 ALA CA C 13 50.74 0.3 . 1 . . . . . 100 ALA CA . 27062 1 914 . 1 1 100 100 ALA CB C 13 20.451 0.3 . 1 . . . . . 100 ALA CB . 27062 1 915 . 1 1 100 100 ALA N N 15 122.548 0.3 . 1 . . . . . 100 ALA N . 27062 1 916 . 1 1 101 101 ILE H H 1 9.31 0.02 . 1 . . . . . 101 ILE H . 27062 1 917 . 1 1 101 101 ILE HA H 1 5.029 0.02 . 1 . . . . . 101 ILE HA . 27062 1 918 . 1 1 101 101 ILE HB H 1 1.85 0.02 . 1 . . . . . 101 ILE HB . 27062 1 919 . 1 1 101 101 ILE HG12 H 1 1.087 0.02 . 1 . . . . . 101 ILE HG12 . 27062 1 920 . 1 1 101 101 ILE HG13 H 1 1.087 0.02 . 1 . . . . . 101 ILE HG13 . 27062 1 921 . 1 1 101 101 ILE HG21 H 1 0.756 0.02 . 1 . . . . . 101 ILE HG2 . 27062 1 922 . 1 1 101 101 ILE HG22 H 1 0.756 0.02 . 1 . . . . . 101 ILE HG2 . 27062 1 923 . 1 1 101 101 ILE HG23 H 1 0.756 0.02 . 1 . . . . . 101 ILE HG2 . 27062 1 924 . 1 1 101 101 ILE HD11 H 1 0.588 0.02 . 1 . . . . . 101 ILE HD1 . 27062 1 925 . 1 1 101 101 ILE HD12 H 1 0.588 0.02 . 1 . . . . . 101 ILE HD1 . 27062 1 926 . 1 1 101 101 ILE HD13 H 1 0.588 0.02 . 1 . . . . . 101 ILE HD1 . 27062 1 927 . 1 1 101 101 ILE C C 13 174.943 0.3 . 1 . . . . . 101 ILE C . 27062 1 928 . 1 1 101 101 ILE CA C 13 57.44 0.3 . 1 . . . . . 101 ILE CA . 27062 1 929 . 1 1 101 101 ILE CB C 13 38.45 0.3 . 1 . . . . . 101 ILE CB . 27062 1 930 . 1 1 101 101 ILE CG1 C 13 26.957 0.3 . 1 . . . . . 101 ILE CG1 . 27062 1 931 . 1 1 101 101 ILE CG2 C 13 20.7 0.3 . 1 . . . . . 101 ILE CG2 . 27062 1 932 . 1 1 101 101 ILE CD1 C 13 17.763 0.3 . 1 . . . . . 101 ILE CD1 . 27062 1 933 . 1 1 101 101 ILE N N 15 126.464 0.3 . 1 . . . . . 101 ILE N . 27062 1 934 . 1 1 102 102 THR H H 1 8.654 0.02 . 1 . . . . . 102 THR H . 27062 1 935 . 1 1 102 102 THR HA H 1 4.77 0.02 . 1 . . . . . 102 THR HA . 27062 1 936 . 1 1 102 102 THR HB H 1 4.004 0.02 . 1 . . . . . 102 THR HB . 27062 1 937 . 1 1 102 102 THR HG21 H 1 0.989 0.02 . 1 . . . . . 102 THR HG2 . 27062 1 938 . 1 1 102 102 THR HG22 H 1 0.989 0.02 . 1 . . . . . 102 THR HG2 . 27062 1 939 . 1 1 102 102 THR HG23 H 1 0.989 0.02 . 1 . . . . . 102 THR HG2 . 27062 1 940 . 1 1 102 102 THR C C 13 172.879 0.3 . 1 . . . . . 102 THR C . 27062 1 941 . 1 1 102 102 THR CA C 13 62.569 0.3 . 1 . . . . . 102 THR CA . 27062 1 942 . 1 1 102 102 THR CB C 13 69.745 0.3 . 1 . . . . . 102 THR CB . 27062 1 943 . 1 1 102 102 THR CG2 C 13 20.572 0.3 . 1 . . . . . 102 THR CG2 . 27062 1 944 . 1 1 102 102 THR N N 15 124.818 0.3 . 1 . . . . . 102 THR N . 27062 1 945 . 1 1 103 103 VAL H H 1 9.491 0.02 . 1 . . . . . 103 VAL H . 27062 1 946 . 1 1 103 103 VAL HA H 1 5.084 0.02 . 1 . . . . . 103 VAL HA . 27062 1 947 . 1 1 103 103 VAL HB H 1 2.345 0.02 . 1 . . . . . 103 VAL HB . 27062 1 948 . 1 1 103 103 VAL HG11 H 1 0.81 0.02 . 1 . . . . . 103 VAL HG1 . 27062 1 949 . 1 1 103 103 VAL HG12 H 1 0.81 0.02 . 1 . . . . . 103 VAL HG1 . 27062 1 950 . 1 1 103 103 VAL HG13 H 1 0.81 0.02 . 1 . . . . . 103 VAL HG1 . 27062 1 951 . 1 1 103 103 VAL HG21 H 1 0.81 0.02 . 1 . . . . . 103 VAL HG2 . 27062 1 952 . 1 1 103 103 VAL HG22 H 1 0.81 0.02 . 1 . . . . . 103 VAL HG2 . 27062 1 953 . 1 1 103 103 VAL HG23 H 1 0.81 0.02 . 1 . . . . . 103 VAL HG2 . 27062 1 954 . 1 1 103 103 VAL C C 13 177.265 0.3 . 1 . . . . . 103 VAL C . 27062 1 955 . 1 1 103 103 VAL CA C 13 60.134 0.3 . 1 . . . . . 103 VAL CA . 27062 1 956 . 1 1 103 103 VAL CB C 13 31.271 0.3 . 1 . . . . . 103 VAL CB . 27062 1 957 . 1 1 103 103 VAL CG1 C 13 23.565 0.3 . 1 . . . . . 103 VAL CG1 . 27062 1 958 . 1 1 103 103 VAL CG2 C 13 23.565 0.3 . 1 . . . . . 103 VAL CG2 . 27062 1 959 . 1 1 103 103 VAL N N 15 129.257 0.3 . 1 . . . . . 103 VAL N . 27062 1 960 . 1 1 104 104 THR H H 1 8.577 0.02 . 1 . . . . . 104 THR H . 27062 1 961 . 1 1 104 104 THR HA H 1 4.362 0.02 . 1 . . . . . 104 THR HA . 27062 1 962 . 1 1 104 104 THR HB H 1 4.082 0.02 . 1 . . . . . 104 THR HB . 27062 1 963 . 1 1 104 104 THR HG21 H 1 1.014 0.02 . 1 . . . . . 104 THR HG2 . 27062 1 964 . 1 1 104 104 THR HG22 H 1 1.014 0.02 . 1 . . . . . 104 THR HG2 . 27062 1 965 . 1 1 104 104 THR HG23 H 1 1.014 0.02 . 1 . . . . . 104 THR HG2 . 27062 1 966 . 1 1 104 104 THR C C 13 172.707 0.3 . 1 . . . . . 104 THR C . 27062 1 967 . 1 1 104 104 THR CA C 13 60.081 0.3 . 1 . . . . . 104 THR CA . 27062 1 968 . 1 1 104 104 THR CB C 13 70.591 0.3 . 1 . . . . . 104 THR CB . 27062 1 969 . 1 1 104 104 THR CG2 C 13 21.338 0.3 . 1 . . . . . 104 THR CG2 . 27062 1 970 . 1 1 104 104 THR N N 15 119.791 0.3 . 1 . . . . . 104 THR N . 27062 1 971 . 1 1 105 105 ASP H H 1 8.508 0.02 . 1 . . . . . 105 ASP H . 27062 1 972 . 1 1 105 105 ASP HA H 1 4.874 0.02 . 1 . . . . . 105 ASP HA . 27062 1 973 . 1 1 105 105 ASP HB2 H 1 2.874 0.02 . 1 . . . . . 105 ASP HB2 . 27062 1 974 . 1 1 105 105 ASP HB3 H 1 2.874 0.02 . 1 . . . . . 105 ASP HB3 . 27062 1 975 . 1 1 105 105 ASP C C 13 175.288 0.3 . 1 . . . . . 105 ASP C . 27062 1 976 . 1 1 105 105 ASP CA C 13 51.133 0.3 . 1 . . . . . 105 ASP CA . 27062 1 977 . 1 1 105 105 ASP CB C 13 42.172 0.3 . 1 . . . . . 105 ASP CB . 27062 1 978 . 1 1 105 105 ASP N N 15 121.189 0.3 . 1 . . . . . 105 ASP N . 27062 1 979 . 1 1 107 107 GLY H H 1 8.498 0.02 . 1 . . . . . 107 GLY H . 27062 1 980 . 1 1 107 107 GLY HA2 H 1 3.863 0.02 . 1 . . . . . 107 GLY HA2 . 27062 1 981 . 1 1 107 107 GLY HA3 H 1 3.863 0.02 . 1 . . . . . 107 GLY HA3 . 27062 1 982 . 1 1 107 107 GLY CA C 13 45.17 0.3 . 1 . . . . . 107 GLY CA . 27062 1 983 . 1 1 107 107 GLY N N 15 108.161 0.3 . 1 . . . . . 107 GLY N . 27062 1 984 . 1 1 108 108 THR H H 1 7.801 0.02 . 1 . . . . . 108 THR H . 27062 1 985 . 1 1 108 108 THR HA H 1 4.527 0.02 . 1 . . . . . 108 THR HA . 27062 1 986 . 1 1 108 108 THR HB H 1 4.084 0.02 . 1 . . . . . 108 THR HB . 27062 1 987 . 1 1 108 108 THR HG21 H 1 1.21 0.02 . 1 . . . . . 108 THR HG2 . 27062 1 988 . 1 1 108 108 THR HG22 H 1 1.21 0.02 . 1 . . . . . 108 THR HG2 . 27062 1 989 . 1 1 108 108 THR HG23 H 1 1.21 0.02 . 1 . . . . . 108 THR HG2 . 27062 1 990 . 1 1 108 108 THR C C 13 172.621 0.3 . 1 . . . . . 108 THR C . 27062 1 991 . 1 1 108 108 THR CA C 13 59.581 0.3 . 1 . . . . . 108 THR CA . 27062 1 992 . 1 1 108 108 THR CB C 13 69.913 0.3 . 1 . . . . . 108 THR CB . 27062 1 993 . 1 1 108 108 THR CG2 C 13 21.594 0.3 . 1 . . . . . 108 THR CG2 . 27062 1 994 . 1 1 108 108 THR N N 15 116.384 0.3 . 1 . . . . . 108 THR N . 27062 1 995 . 1 1 110 110 ASN H H 1 8.448 0.02 . 1 . . . . . 110 ASN H . 27062 1 996 . 1 1 110 110 ASN HA H 1 4.841 0.02 . 1 . . . . . 110 ASN HA . 27062 1 997 . 1 1 110 110 ASN HB2 H 1 2.721 0.02 . 1 . . . . . 110 ASN HB2 . 27062 1 998 . 1 1 110 110 ASN HB3 H 1 2.721 0.02 . 1 . . . . . 110 ASN HB3 . 27062 1 999 . 1 1 110 110 ASN CA C 13 51.184 0.3 . 1 . . . . . 110 ASN CA . 27062 1 1000 . 1 1 110 110 ASN CB C 13 38.684 0.3 . 1 . . . . . 110 ASN CB . 27062 1 1001 . 1 1 110 110 ASN N N 15 119.978 0.3 . 1 . . . . . 110 ASN N . 27062 1 1002 . 1 1 112 112 THR H H 1 8.176 0.02 . 1 . . . . . 112 THR H . 27062 1 1003 . 1 1 112 112 THR HA H 1 4.213 0.02 . 1 . . . . . 112 THR HA . 27062 1 1004 . 1 1 112 112 THR HB H 1 4.111 0.02 . 1 . . . . . 112 THR HB . 27062 1 1005 . 1 1 112 112 THR HG21 H 1 1.158 0.02 . 1 . . . . . 112 THR HG2 . 27062 1 1006 . 1 1 112 112 THR HG22 H 1 1.158 0.02 . 1 . . . . . 112 THR HG2 . 27062 1 1007 . 1 1 112 112 THR HG23 H 1 1.158 0.02 . 1 . . . . . 112 THR HG2 . 27062 1 1008 . 1 1 112 112 THR C C 13 174.283 0.3 . 1 . . . . . 112 THR C . 27062 1 1009 . 1 1 112 112 THR CA C 13 62.224 0.3 . 1 . . . . . 112 THR CA . 27062 1 1010 . 1 1 112 112 THR CB C 13 69.607 0.3 . 1 . . . . . 112 THR CB . 27062 1 1011 . 1 1 112 112 THR CG2 C 13 21.396 0.3 . 1 . . . . . 112 THR CG2 . 27062 1 1012 . 1 1 112 112 THR N N 15 114.584 0.3 . 1 . . . . . 112 THR N . 27062 1 1013 . 1 1 113 113 VAL H H 1 7.979 0.02 . 1 . . . . . 113 VAL H . 27062 1 1014 . 1 1 113 113 VAL HA H 1 4.064 0.02 . 1 . . . . . 113 VAL HA . 27062 1 1015 . 1 1 113 113 VAL HB H 1 1.977 0.02 . 1 . . . . . 113 VAL HB . 27062 1 1016 . 1 1 113 113 VAL HG11 H 1 0.87 0.02 . 1 . . . . . 113 VAL HG1 . 27062 1 1017 . 1 1 113 113 VAL HG12 H 1 0.87 0.02 . 1 . . . . . 113 VAL HG1 . 27062 1 1018 . 1 1 113 113 VAL HG13 H 1 0.87 0.02 . 1 . . . . . 113 VAL HG1 . 27062 1 1019 . 1 1 113 113 VAL HG21 H 1 0.87 0.02 . 1 . . . . . 113 VAL HG2 . 27062 1 1020 . 1 1 113 113 VAL HG22 H 1 0.87 0.02 . 1 . . . . . 113 VAL HG2 . 27062 1 1021 . 1 1 113 113 VAL HG23 H 1 0.87 0.02 . 1 . . . . . 113 VAL HG2 . 27062 1 1022 . 1 1 113 113 VAL C C 13 175.516 0.3 . 1 . . . . . 113 VAL C . 27062 1 1023 . 1 1 113 113 VAL CA C 13 62.039 0.3 . 1 . . . . . 113 VAL CA . 27062 1 1024 . 1 1 113 113 VAL CB C 13 32.612 0.3 . 1 . . . . . 113 VAL CB . 27062 1 1025 . 1 1 113 113 VAL CG1 C 13 20.572 0.3 . 1 . . . . . 113 VAL CG1 . 27062 1 1026 . 1 1 113 113 VAL CG2 C 13 20.572 0.3 . 1 . . . . . 113 VAL CG2 . 27062 1 1027 . 1 1 113 113 VAL N N 15 123.058 0.3 . 1 . . . . . 113 VAL N . 27062 1 1028 . 1 1 114 114 VAL H H 1 8.187 0.02 . 1 . . . . . 114 VAL H . 27062 1 1029 . 1 1 114 114 VAL HA H 1 4.325 0.02 . 1 . . . . . 114 VAL HA . 27062 1 1030 . 1 1 114 114 VAL HB H 1 2.006 0.02 . 1 . . . . . 114 VAL HB . 27062 1 1031 . 1 1 114 114 VAL HG11 H 1 0.828 0.02 . 1 . . . . . 114 VAL HG1 . 27062 1 1032 . 1 1 114 114 VAL HG12 H 1 0.828 0.02 . 1 . . . . . 114 VAL HG1 . 27062 1 1033 . 1 1 114 114 VAL HG13 H 1 0.828 0.02 . 1 . . . . . 114 VAL HG1 . 27062 1 1034 . 1 1 114 114 VAL HG21 H 1 0.828 0.02 . 1 . . . . . 114 VAL HG2 . 27062 1 1035 . 1 1 114 114 VAL HG22 H 1 0.828 0.02 . 1 . . . . . 114 VAL HG2 . 27062 1 1036 . 1 1 114 114 VAL HG23 H 1 0.828 0.02 . 1 . . . . . 114 VAL HG2 . 27062 1 1037 . 1 1 114 114 VAL C C 13 174.293 0.3 . 1 . . . . . 114 VAL C . 27062 1 1038 . 1 1 114 114 VAL CA C 13 59.631 0.3 . 1 . . . . . 114 VAL CA . 27062 1 1039 . 1 1 114 114 VAL CB C 13 42.019 0.3 . 1 . . . . . 114 VAL CB . 27062 1 1040 . 1 1 114 114 VAL CG1 C 13 23.509 0.3 . 1 . . . . . 114 VAL CG1 . 27062 1 1041 . 1 1 114 114 VAL CG2 C 13 23.509 0.3 . 1 . . . . . 114 VAL CG2 . 27062 1 1042 . 1 1 114 114 VAL N N 15 125.835 0.3 . 1 . . . . . 114 VAL N . 27062 1 1043 . 1 1 116 116 ASN H H 1 8.365 0.02 . 1 . . . . . 116 ASN H . 27062 1 1044 . 1 1 116 116 ASN HA H 1 4.77 0.02 . 1 . . . . . 116 ASN HA . 27062 1 1045 . 1 1 116 116 ASN HB2 H 1 2.784 0.02 . 2 . . . . . 116 ASN HB2 . 27062 1 1046 . 1 1 116 116 ASN HB3 H 1 2.59 0.02 . 2 . . . . . 116 ASN HB3 . 27062 1 1047 . 1 1 116 116 ASN CA C 13 51.675 0.3 . 1 . . . . . 116 ASN CA . 27062 1 1048 . 1 1 116 116 ASN CB C 13 41.714 0.3 . 1 . . . . . 116 ASN CB . 27062 1 1049 . 1 1 116 116 ASN N N 15 125.842 0.3 . 1 . . . . . 116 ASN N . 27062 1 1050 . 1 1 117 117 GLY H H 1 6.371 0.02 . 1 . . . . . 117 GLY H . 27062 1 1051 . 1 1 117 117 GLY HA2 H 1 2.246 0.02 . 2 . . . . . 117 GLY HA2 . 27062 1 1052 . 1 1 117 117 GLY HA3 H 1 3.122 0.02 . 2 . . . . . 117 GLY HA3 . 27062 1 1053 . 1 1 117 117 GLY CA C 13 44.177 0.3 . 1 . . . . . 117 GLY CA . 27062 1 1054 . 1 1 117 117 GLY N N 15 107.045 0.3 . 1 . . . . . 117 GLY N . 27062 1 1055 . 1 1 118 118 CYS H H 1 8.278 0.02 . 1 . . . . . 118 CYS H . 27062 1 1056 . 1 1 118 118 CYS HA H 1 4.477 0.02 . 1 . . . . . 118 CYS HA . 27062 1 1057 . 1 1 118 118 CYS HB2 H 1 3.004 0.02 . 1 . . . . . 118 CYS HB2 . 27062 1 1058 . 1 1 118 118 CYS HB3 H 1 3.004 0.02 . 1 . . . . . 118 CYS HB3 . 27062 1 1059 . 1 1 118 118 CYS CA C 13 54.99 0.3 . 1 . . . . . 118 CYS CA . 27062 1 1060 . 1 1 118 118 CYS CB C 13 31.904 0.3 . 1 . . . . . 118 CYS CB . 27062 1 1061 . 1 1 118 118 CYS N N 15 121.215 0.3 . 1 . . . . . 118 CYS N . 27062 1 1062 . 1 1 119 119 VAL H H 1 9.027 0.02 . 1 . . . . . 119 VAL H . 27062 1 1063 . 1 1 119 119 VAL HA H 1 4.935 0.02 . 1 . . . . . 119 VAL HA . 27062 1 1064 . 1 1 119 119 VAL HB H 1 1.786 0.02 . 1 . . . . . 119 VAL HB . 27062 1 1065 . 1 1 119 119 VAL HG11 H 1 0.742 0.02 . 1 . . . . . 119 VAL HG1 . 27062 1 1066 . 1 1 119 119 VAL HG12 H 1 0.742 0.02 . 1 . . . . . 119 VAL HG1 . 27062 1 1067 . 1 1 119 119 VAL HG13 H 1 0.742 0.02 . 1 . . . . . 119 VAL HG1 . 27062 1 1068 . 1 1 119 119 VAL HG21 H 1 0.742 0.02 . 1 . . . . . 119 VAL HG2 . 27062 1 1069 . 1 1 119 119 VAL HG22 H 1 0.742 0.02 . 1 . . . . . 119 VAL HG2 . 27062 1 1070 . 1 1 119 119 VAL HG23 H 1 0.742 0.02 . 1 . . . . . 119 VAL HG2 . 27062 1 1071 . 1 1 119 119 VAL CA C 13 60.358 0.3 . 1 . . . . . 119 VAL CA . 27062 1 1072 . 1 1 119 119 VAL CB C 13 33.52 0.3 . 1 . . . . . 119 VAL CB . 27062 1 1073 . 1 1 119 119 VAL CG1 C 13 21.594 0.3 . 1 . . . . . 119 VAL CG1 . 27062 1 1074 . 1 1 119 119 VAL CG2 C 13 21.594 0.3 . 1 . . . . . 119 VAL CG2 . 27062 1 1075 . 1 1 119 119 VAL N N 15 133.708 0.3 . 1 . . . . . 119 VAL N . 27062 1 1076 . 1 1 120 120 VAL H H 1 8.374 0.02 . 1 . . . . . 120 VAL H . 27062 1 1077 . 1 1 120 120 VAL HA H 1 4.99 0.02 . 1 . . . . . 120 VAL HA . 27062 1 1078 . 1 1 120 120 VAL HB H 1 1.971 0.02 . 1 . . . . . 120 VAL HB . 27062 1 1079 . 1 1 120 120 VAL HG11 H 1 0.801 0.02 . 1 . . . . . 120 VAL HG1 . 27062 1 1080 . 1 1 120 120 VAL HG12 H 1 0.801 0.02 . 1 . . . . . 120 VAL HG1 . 27062 1 1081 . 1 1 120 120 VAL HG13 H 1 0.801 0.02 . 1 . . . . . 120 VAL HG1 . 27062 1 1082 . 1 1 120 120 VAL HG21 H 1 0.801 0.02 . 1 . . . . . 120 VAL HG2 . 27062 1 1083 . 1 1 120 120 VAL HG22 H 1 0.801 0.02 . 1 . . . . . 120 VAL HG2 . 27062 1 1084 . 1 1 120 120 VAL HG23 H 1 0.801 0.02 . 1 . . . . . 120 VAL HG2 . 27062 1 1085 . 1 1 120 120 VAL CA C 13 61.205 0.3 . 1 . . . . . 120 VAL CA . 27062 1 1086 . 1 1 120 120 VAL CB C 13 33.039 0.3 . 1 . . . . . 120 VAL CB . 27062 1 1087 . 1 1 120 120 VAL CG1 C 13 20.883 0.3 . 1 . . . . . 120 VAL CG1 . 27062 1 1088 . 1 1 120 120 VAL CG2 C 13 20.883 0.3 . 1 . . . . . 120 VAL CG2 . 27062 1 1089 . 1 1 120 120 VAL N N 15 120.774 0.3 . 1 . . . . . 120 VAL N . 27062 1 1090 . 1 1 121 121 ASP H H 1 8.398 0.02 . 1 . . . . . 121 ASP H . 27062 1 1091 . 1 1 121 121 ASP HA H 1 4.787 0.02 . 1 . . . . . 121 ASP HA . 27062 1 1092 . 1 1 121 121 ASP HB2 H 1 2.746 0.02 . 1 . . . . . 121 ASP HB2 . 27062 1 1093 . 1 1 121 121 ASP HB3 H 1 2.746 0.02 . 1 . . . . . 121 ASP HB3 . 27062 1 1094 . 1 1 121 121 ASP CA C 13 51.702 0.3 . 1 . . . . . 121 ASP CA . 27062 1 1095 . 1 1 121 121 ASP CB C 13 41.621 0.3 . 1 . . . . . 121 ASP CB . 27062 1 1096 . 1 1 121 121 ASP N N 15 126.201 0.3 . 1 . . . . . 121 ASP N . 27062 1 1097 . 1 1 123 123 ALA H H 1 8.355 0.02 . 1 . . . . . 123 ALA H . 27062 1 1098 . 1 1 123 123 ALA HA H 1 4.147 0.02 . 1 . . . . . 123 ALA HA . 27062 1 1099 . 1 1 123 123 ALA HB1 H 1 1.417 0.02 . 1 . . . . . 123 ALA HB . 27062 1 1100 . 1 1 123 123 ALA HB2 H 1 1.417 0.02 . 1 . . . . . 123 ALA HB . 27062 1 1101 . 1 1 123 123 ALA HB3 H 1 1.417 0.02 . 1 . . . . . 123 ALA HB . 27062 1 1102 . 1 1 123 123 ALA C C 13 179.258 0.3 . 1 . . . . . 123 ALA C . 27062 1 1103 . 1 1 123 123 ALA CA C 13 53.864 0.3 . 1 . . . . . 123 ALA CA . 27062 1 1104 . 1 1 123 123 ALA CB C 13 18.618 0.3 . 1 . . . . . 123 ALA CB . 27062 1 1105 . 1 1 123 123 ALA N N 15 120.888 0.3 . 1 . . . . . 123 ALA N . 27062 1 1106 . 1 1 124 124 THR H H 1 7.781 0.02 . 1 . . . . . 124 THR H . 27062 1 1107 . 1 1 124 124 THR HA H 1 4.13 0.02 . 1 . . . . . 124 THR HA . 27062 1 1108 . 1 1 124 124 THR HB H 1 4.465 0.02 . 1 . . . . . 124 THR HB . 27062 1 1109 . 1 1 124 124 THR HG21 H 1 1.197 0.02 . 1 . . . . . 124 THR HG2 . 27062 1 1110 . 1 1 124 124 THR HG22 H 1 1.197 0.02 . 1 . . . . . 124 THR HG2 . 27062 1 1111 . 1 1 124 124 THR HG23 H 1 1.197 0.02 . 1 . . . . . 124 THR HG2 . 27062 1 1112 . 1 1 124 124 THR C C 13 175.086 0.3 . 1 . . . . . 124 THR C . 27062 1 1113 . 1 1 124 124 THR CA C 13 62.798 0.3 . 1 . . . . . 124 THR CA . 27062 1 1114 . 1 1 124 124 THR CB C 13 69.653 0.3 . 1 . . . . . 124 THR CB . 27062 1 1115 . 1 1 124 124 THR CG2 C 13 21.396 0.3 . 1 . . . . . 124 THR CG2 . 27062 1 1116 . 1 1 124 124 THR N N 15 110.524 0.3 . 1 . . . . . 124 THR N . 27062 1 1117 . 1 1 125 125 LEU H H 1 7.737 0.02 . 1 . . . . . 125 LEU H . 27062 1 1118 . 1 1 125 125 LEU HA H 1 4.13 0.02 . 1 . . . . . 125 LEU HA . 27062 1 1119 . 1 1 125 125 LEU HB2 H 1 1.547 0.02 . 1 . . . . . 125 LEU HB2 . 27062 1 1120 . 1 1 125 125 LEU HB3 H 1 1.547 0.02 . 1 . . . . . 125 LEU HB3 . 27062 1 1121 . 1 1 125 125 LEU HD11 H 1 0.804 0.02 . 1 . . . . . 125 LEU HD1 . 27062 1 1122 . 1 1 125 125 LEU HD12 H 1 0.804 0.02 . 1 . . . . . 125 LEU HD1 . 27062 1 1123 . 1 1 125 125 LEU HD13 H 1 0.804 0.02 . 1 . . . . . 125 LEU HD1 . 27062 1 1124 . 1 1 125 125 LEU HD21 H 1 0.804 0.02 . 1 . . . . . 125 LEU HD2 . 27062 1 1125 . 1 1 125 125 LEU HD22 H 1 0.804 0.02 . 1 . . . . . 125 LEU HD2 . 27062 1 1126 . 1 1 125 125 LEU HD23 H 1 0.804 0.02 . 1 . . . . . 125 LEU HD2 . 27062 1 1127 . 1 1 125 125 LEU C C 13 177.15 0.3 . 1 . . . . . 125 LEU C . 27062 1 1128 . 1 1 125 125 LEU CA C 13 55.665 0.3 . 1 . . . . . 125 LEU CA . 27062 1 1129 . 1 1 125 125 LEU CB C 13 41.596 0.3 . 1 . . . . . 125 LEU CB . 27062 1 1130 . 1 1 125 125 LEU CG C 13 26.957 0.3 . 1 . . . . . 125 LEU CG . 27062 1 1131 . 1 1 125 125 LEU N N 15 122.182 0.3 . 1 . . . . . 125 LEU N . 27062 1 1132 . 1 1 126 126 ARG H H 1 7.874 0.02 . 1 . . . . . 126 ARG H . 27062 1 1133 . 1 1 126 126 ARG HA H 1 4.229 0.02 . 1 . . . . . 126 ARG HA . 27062 1 1134 . 1 1 126 126 ARG HB2 H 1 2.01 0.02 . 1 . . . . . 126 ARG HB2 . 27062 1 1135 . 1 1 126 126 ARG HB3 H 1 2.01 0.02 . 1 . . . . . 126 ARG HB3 . 27062 1 1136 . 1 1 126 126 ARG HG2 H 1 1.654 0.02 . 1 . . . . . 126 ARG HG2 . 27062 1 1137 . 1 1 126 126 ARG HG3 H 1 1.654 0.02 . 1 . . . . . 126 ARG HG3 . 27062 1 1138 . 1 1 126 126 ARG CA C 13 56.33 0.3 . 1 . . . . . 126 ARG CA . 27062 1 1139 . 1 1 126 126 ARG CB C 13 30.619 0.3 . 1 . . . . . 126 ARG CB . 27062 1 1140 . 1 1 126 126 ARG CG C 13 28.745 0.3 . 1 . . . . . 126 ARG CG . 27062 1 1141 . 1 1 126 126 ARG N N 15 120.272 0.3 . 1 . . . . . 126 ARG N . 27062 1 1142 . 1 1 127 127 VAL H H 1 7.873 0.02 . 1 . . . . . 127 VAL H . 27062 1 1143 . 1 1 127 127 VAL HA H 1 4.463 0.02 . 1 . . . . . 127 VAL HA . 27062 1 1144 . 1 1 127 127 VAL HB H 1 3.031 0.02 . 1 . . . . . 127 VAL HB . 27062 1 1145 . 1 1 127 127 VAL CA C 13 57.383 0.3 . 1 . . . . . 127 VAL CA . 27062 1 1146 . 1 1 127 127 VAL N N 15 125.497 0.3 . 1 . . . . . 127 VAL N . 27062 1 stop_ save_