data_26336 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26336 _Entry.Title ; Solution Structure of the Corynebacterium diphtheriae SpaB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-04 _Entry.Accession_date 2023-05-29 _Entry.Last_release_date 2023-05-29 _Entry.Original_release_date 2023-05-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Christopher Sue . K. . 0000-0002-8401-6581 26336 2 Nicole Cheung . A. . 0000-0002-1612-8952 26336 3 Brendan Mahoney . J. . 0000-0003-4323-9276 26336 4 Robert Clubb . T. . 0000-0001-5718-3985 26336 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Clubb group; UCLA' . 26336 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26336 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 501 26336 '15N chemical shifts' 119 26336 '1H chemical shifts' 749 26336 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-06-18 . original BMRB . 26336 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID GB CAE50542.1 'Putative surface anchored protein' 26336 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26336 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The basal and major pilins in the Corynebacterium diphtheriae SpaA pilus adopt similar structures that competitively react with the pilin polymerase ; _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev Biopolymers _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Christopher Sue . K. . . 26336 1 2 Nicole Cheung . A. . . 26336 1 3 Brendan Mahoney . J. . . 26336 1 4 Scott McConnell . A. . . 26336 1 5 Jack Scully . M. . . 26336 1 6 Janine Fu . Y. . . 26336 1 7 Chungyu Chang . . . . 26336 1 8 Hung Ton-That . . . . 26336 1 9 Joseph Loo . A. . . 26336 1 10 Robert Clubb . T. . . 26336 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 26336 1 kinetics 26336 1 pilus 26336 1 sortase 26336 1 'virulence factors' 26336 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26336 _Assembly.ID 1 _Assembly.Name SpaB _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SpaB 1 $entity_1 . . yes native no no . . . 26336 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26336 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SpaB _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 ; QEANTLVIDLEPPAAFADDQ PQGHNIDVTVAKLHNIDPED HERIRALQRNGVPSTISEEQ PHTARTDATGTATITNLPPG TYVIRDTNTTKPRFSPLVIP LGIDTTSPTMTLRPKLIDAT PGAPNV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Soluble domain of SpaB' _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q6NF83 . 'Putative surface anchored protein' . . . . . . . . . . . . . . 26336 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'minor pilin' 26336 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 25 GLN . 26336 1 2 26 GLU . 26336 1 3 27 ALA . 26336 1 4 28 ASN . 26336 1 5 29 THR . 26336 1 6 30 LEU . 26336 1 7 31 VAL . 26336 1 8 32 ILE . 26336 1 9 33 ASP . 26336 1 10 34 LEU . 26336 1 11 35 GLU . 26336 1 12 36 PRO . 26336 1 13 37 PRO . 26336 1 14 38 ALA . 26336 1 15 39 ALA . 26336 1 16 40 PHE . 26336 1 17 41 ALA . 26336 1 18 42 ASP . 26336 1 19 43 ASP . 26336 1 20 44 GLN . 26336 1 21 45 PRO . 26336 1 22 46 GLN . 26336 1 23 47 GLY . 26336 1 24 48 HIS . 26336 1 25 49 ASN . 26336 1 26 50 ILE . 26336 1 27 51 ASP . 26336 1 28 52 VAL . 26336 1 29 53 THR . 26336 1 30 54 VAL . 26336 1 31 55 ALA . 26336 1 32 56 LYS . 26336 1 33 57 LEU . 26336 1 34 58 HIS . 26336 1 35 59 ASN . 26336 1 36 60 ILE . 26336 1 37 61 ASP . 26336 1 38 62 PRO . 26336 1 39 63 GLU . 26336 1 40 64 ASP . 26336 1 41 65 HIS . 26336 1 42 66 GLU . 26336 1 43 67 ARG . 26336 1 44 68 ILE . 26336 1 45 69 ARG . 26336 1 46 70 ALA . 26336 1 47 71 LEU . 26336 1 48 72 GLN . 26336 1 49 73 ARG . 26336 1 50 74 ASN . 26336 1 51 75 GLY . 26336 1 52 76 VAL . 26336 1 53 77 PRO . 26336 1 54 78 SER . 26336 1 55 79 THR . 26336 1 56 80 ILE . 26336 1 57 81 SER . 26336 1 58 82 GLU . 26336 1 59 83 GLU . 26336 1 60 84 GLN . 26336 1 61 85 PRO . 26336 1 62 86 HIS . 26336 1 63 87 THR . 26336 1 64 88 ALA . 26336 1 65 89 ARG . 26336 1 66 90 THR . 26336 1 67 91 ASP . 26336 1 68 92 ALA . 26336 1 69 93 THR . 26336 1 70 94 GLY . 26336 1 71 95 THR . 26336 1 72 96 ALA . 26336 1 73 97 THR . 26336 1 74 98 ILE . 26336 1 75 99 THR . 26336 1 76 100 ASN . 26336 1 77 101 LEU . 26336 1 78 102 PRO . 26336 1 79 103 PRO . 26336 1 80 104 GLY . 26336 1 81 105 THR . 26336 1 82 106 TYR . 26336 1 83 107 VAL . 26336 1 84 108 ILE . 26336 1 85 109 ARG . 26336 1 86 110 ASP . 26336 1 87 111 THR . 26336 1 88 112 ASN . 26336 1 89 113 THR . 26336 1 90 114 THR . 26336 1 91 115 LYS . 26336 1 92 116 PRO . 26336 1 93 117 ARG . 26336 1 94 118 PHE . 26336 1 95 119 SER . 26336 1 96 120 PRO . 26336 1 97 121 LEU . 26336 1 98 122 VAL . 26336 1 99 123 ILE . 26336 1 100 124 PRO . 26336 1 101 125 LEU . 26336 1 102 126 GLY . 26336 1 103 127 ILE . 26336 1 104 128 ASP . 26336 1 105 129 THR . 26336 1 106 130 THR . 26336 1 107 131 SER . 26336 1 108 132 PRO . 26336 1 109 133 THR . 26336 1 110 134 MET . 26336 1 111 135 THR . 26336 1 112 136 LEU . 26336 1 113 137 ARG . 26336 1 114 138 PRO . 26336 1 115 139 LYS . 26336 1 116 140 LEU . 26336 1 117 141 ILE . 26336 1 118 142 ASP . 26336 1 119 143 ALA . 26336 1 120 144 THR . 26336 1 121 145 PRO . 26336 1 122 146 GLY . 26336 1 123 147 ALA . 26336 1 124 148 PRO . 26336 1 125 149 ASN . 26336 1 126 150 VAL . 26336 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 . GLN 1 1 26336 1 . GLU 2 2 26336 1 . ALA 3 3 26336 1 . ASN 4 4 26336 1 . THR 5 5 26336 1 . LEU 6 6 26336 1 . VAL 7 7 26336 1 . ILE 8 8 26336 1 . ASP 9 9 26336 1 . LEU 10 10 26336 1 . GLU 11 11 26336 1 . PRO 12 12 26336 1 . PRO 13 13 26336 1 . ALA 14 14 26336 1 . ALA 15 15 26336 1 . PHE 16 16 26336 1 . ALA 17 17 26336 1 . ASP 18 18 26336 1 . ASP 19 19 26336 1 . GLN 20 20 26336 1 . PRO 21 21 26336 1 . GLN 22 22 26336 1 . GLY 23 23 26336 1 . HIS 24 24 26336 1 . ASN 25 25 26336 1 . ILE 26 26 26336 1 . ASP 27 27 26336 1 . VAL 28 28 26336 1 . THR 29 29 26336 1 . VAL 30 30 26336 1 . ALA 31 31 26336 1 . LYS 32 32 26336 1 . LEU 33 33 26336 1 . HIS 34 34 26336 1 . ASN 35 35 26336 1 . ILE 36 36 26336 1 . ASP 37 37 26336 1 . PRO 38 38 26336 1 . GLU 39 39 26336 1 . ASP 40 40 26336 1 . HIS 41 41 26336 1 . GLU 42 42 26336 1 . ARG 43 43 26336 1 . ILE 44 44 26336 1 . ARG 45 45 26336 1 . ALA 46 46 26336 1 . LEU 47 47 26336 1 . GLN 48 48 26336 1 . ARG 49 49 26336 1 . ASN 50 50 26336 1 . GLY 51 51 26336 1 . VAL 52 52 26336 1 . PRO 53 53 26336 1 . SER 54 54 26336 1 . THR 55 55 26336 1 . ILE 56 56 26336 1 . SER 57 57 26336 1 . GLU 58 58 26336 1 . GLU 59 59 26336 1 . GLN 60 60 26336 1 . PRO 61 61 26336 1 . HIS 62 62 26336 1 . THR 63 63 26336 1 . ALA 64 64 26336 1 . ARG 65 65 26336 1 . THR 66 66 26336 1 . ASP 67 67 26336 1 . ALA 68 68 26336 1 . THR 69 69 26336 1 . GLY 70 70 26336 1 . THR 71 71 26336 1 . ALA 72 72 26336 1 . THR 73 73 26336 1 . ILE 74 74 26336 1 . THR 75 75 26336 1 . ASN 76 76 26336 1 . LEU 77 77 26336 1 . PRO 78 78 26336 1 . PRO 79 79 26336 1 . GLY 80 80 26336 1 . THR 81 81 26336 1 . TYR 82 82 26336 1 . VAL 83 83 26336 1 . ILE 84 84 26336 1 . ARG 85 85 26336 1 . ASP 86 86 26336 1 . THR 87 87 26336 1 . ASN 88 88 26336 1 . THR 89 89 26336 1 . THR 90 90 26336 1 . LYS 91 91 26336 1 . PRO 92 92 26336 1 . ARG 93 93 26336 1 . PHE 94 94 26336 1 . SER 95 95 26336 1 . PRO 96 96 26336 1 . LEU 97 97 26336 1 . VAL 98 98 26336 1 . ILE 99 99 26336 1 . PRO 100 100 26336 1 . LEU 101 101 26336 1 . GLY 102 102 26336 1 . ILE 103 103 26336 1 . ASP 104 104 26336 1 . THR 105 105 26336 1 . THR 106 106 26336 1 . SER 107 107 26336 1 . PRO 108 108 26336 1 . THR 109 109 26336 1 . MET 110 110 26336 1 . THR 111 111 26336 1 . LEU 112 112 26336 1 . ARG 113 113 26336 1 . PRO 114 114 26336 1 . LYS 115 115 26336 1 . LEU 116 116 26336 1 . ILE 117 117 26336 1 . ASP 118 118 26336 1 . ALA 119 119 26336 1 . THR 120 120 26336 1 . PRO 121 121 26336 1 . GLY 122 122 26336 1 . ALA 123 123 26336 1 . PRO 124 124 26336 1 . ASN 125 125 26336 1 . VAL 126 126 26336 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 26336 _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 $entity_1 . 257309 organism . 'Corynebacterium diphtheriae NCTC 13129' 'Corynebacterium diphtheriae NCTC 13129' . . Bacteria . Corynebacterium diphtheriae 'NCTC 13129' . . . . . . . . . . spaB . 26336 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 26336 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 Escherichia coli 'BL21 (DE3)' . . plasmid . . pSUMO . . . 26336 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26336 _Sample.ID 1 _Sample.Name SpaB_h2o _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 SpaB '[U-100% 13C; U-100% 15N]' 1 $assembly_1 1 $entity_1 . protein 1.2 . . mM . . . . 26336 1 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.01 . . % . . . . 26336 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 26336 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 26336 1 5 H2O 'natural abundance' . . . . . solvent 93 . . % . . . . 26336 1 6 D2O [U-2H] . . . . . solvent 7 . . % . . . . 26336 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26336 _Sample.ID 2 _Sample.Name SpaB_d2o _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 SpaB '[U-100% 13C; U-100% 15N]' 1 $assembly_1 1 $entity_1 . protein 1.2 . . mM . . . . 26336 2 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.01 . . % . . . . 26336 2 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 26336 2 4 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 26336 2 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 26336 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26336 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'SpaB conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 26336 1 pH 6.5 . pH 26336 1 pressure 1 . atm 26336 1 temperature 298 . K 26336 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26336 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.37 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 26336 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26336 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 26336 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 26336 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version 11.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 26336 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 26336 _Software.ID 4 _Software.Type . _Software.Name Xipp _Software.Version 1.21.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 26336 4 refinement . 26336 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 26336 _Software.ID 5 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 26336 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 26336 _Software.ID 6 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26336 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 26336 _Software.ID 7 _Software.Type . _Software.Name Molmol _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 26336 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 26336 _Software.ID 8 _Software.Type . _Software.Name ProcheckNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 26336 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 26336 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name ucla600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 26336 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name ucla800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 26336 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26336 1 2 '2D 1H-13C HSQC aliphatic' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26336 1 3 '2D 1H-13C HSQC aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 26336 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26336 1 5 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26336 1 6 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26336 1 7 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26336 1 8 '3D HNHA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26336 1 9 '3D HNHB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26336 1 10 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 26336 1 11 '3D HCCH-COSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 26336 1 12 '3D HCCH-TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 26336 1 13 '3D 1H-15N TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26336 1 14 '3D 1H-13C NOESY aliphatic' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 26336 1 15 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 26336 1 16 '3D 1H-13C NOESY aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 26336 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 26336 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name spab_shifts _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 external indirect 0.251449530 . . . . . 26336 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1 . . . . . 26336 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . 26336 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 26336 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SpaB_assignments _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' 1 $sample_1 isotropic 26336 1 2 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 26336 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 26336 1 4 '3D HNCACB' 1 $sample_1 isotropic 26336 1 5 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26336 1 6 '3D HNCO' 1 $sample_1 isotropic 26336 1 7 '3D HBHA(CO)NH' 1 $sample_1 isotropic 26336 1 11 '3D HCCH-COSY' 2 $sample_2 isotropic 26336 1 12 '3D HCCH-TOCSY' 2 $sample_2 isotropic 26336 1 13 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 26336 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 26336 1 6 $software_6 . . 26336 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 GLU H H 1 8.5700 0.02 . 1 . . . . . 26 GLU HN . 26336 1 2 . 1 . 1 2 2 GLU HA H 1 4.2820 0.02 . 1 . . . . . 26 GLU HA . 26336 1 3 . 1 . 1 2 2 GLU HB2 H 1 2.0550 0.02 . 2 . . . . . 26 GLU HB2 . 26336 1 4 . 1 . 1 2 2 GLU HB3 H 1 1.9510 0.02 . 2 . . . . . 26 GLU HB3 . 26336 1 5 . 1 . 1 2 2 GLU HG2 H 1 2.3000 0.02 . 2 . . . . . 26 GLU HG2 . 26336 1 6 . 1 . 1 2 2 GLU CA C 13 56.6200 0.3 . 1 . . . . . 26 GLU CA . 26336 1 7 . 1 . 1 2 2 GLU CB C 13 30.3000 0.3 . 1 . . . . . 26 GLU CB . 26336 1 8 . 1 . 1 2 2 GLU CG C 13 36.3000 0.3 . 1 . . . . . 26 GLU CG . 26336 1 9 . 1 . 1 2 2 GLU N N 15 118.2600 0.3 . 1 . . . . . 26 GLU N . 26336 1 10 . 1 . 1 3 3 ALA H H 1 8.2500 0.02 . 1 . . . . . 27 ALA HN . 26336 1 11 . 1 . 1 3 3 ALA HA H 1 4.4280 0.02 . 1 . . . . . 27 ALA HA . 26336 1 12 . 1 . 1 3 3 ALA HB1 H 1 1.4230 0.02 . 1 . . . . . 27 ALA HB# . 26336 1 13 . 1 . 1 3 3 ALA HB2 H 1 1.4230 0.02 . 1 . . . . . 27 ALA HB# . 26336 1 14 . 1 . 1 3 3 ALA HB3 H 1 1.4230 0.02 . 1 . . . . . 27 ALA HB# . 26336 1 15 . 1 . 1 3 3 ALA C C 13 176.1100 0.3 . 1 . . . . . 27 ALA C . 26336 1 16 . 1 . 1 3 3 ALA CA C 13 52.2000 0.3 . 1 . . . . . 27 ALA CA . 26336 1 17 . 1 . 1 3 3 ALA CB C 13 19.4000 0.3 . 1 . . . . . 27 ALA CB . 26336 1 18 . 1 . 1 3 3 ALA N N 15 122.7800 0.3 . 1 . . . . . 27 ALA N . 26336 1 19 . 1 . 1 4 4 ASN H H 1 8.5220 0.02 . 1 . . . . . 28 ASN HN . 26336 1 20 . 1 . 1 4 4 ASN HA H 1 4.2000 0.02 . 1 . . . . . 28 ASN HA . 26336 1 21 . 1 . 1 4 4 ASN HD21 H 1 7.0100 0.02 . 2 . . . . . 28 ASN HD21 . 26336 1 22 . 1 . 1 4 4 ASN C C 13 173.8500 0.3 . 1 . . . . . 28 ASN C . 26336 1 23 . 1 . 1 4 4 ASN CA C 13 52.8400 0.3 . 1 . . . . . 28 ASN CA . 26336 1 24 . 1 . 1 4 4 ASN CB C 13 42.0300 0.3 . 1 . . . . . 28 ASN CB . 26336 1 25 . 1 . 1 4 4 ASN N N 15 119.1200 0.3 . 1 . . . . . 28 ASN N . 26336 1 26 . 1 . 1 4 4 ASN ND2 N 15 116.8400 0.3 . 1 . . . . . 28 ASN ND2 . 26336 1 27 . 1 . 1 5 5 THR H H 1 8.7100 0.02 . 1 . . . . . 29 THR HN . 26336 1 28 . 1 . 1 5 5 THR HA H 1 4.9620 0.02 . 1 . . . . . 29 THR HA . 26336 1 29 . 1 . 1 5 5 THR HB H 1 4.0610 0.02 . 1 . . . . . 29 THR HB . 26336 1 30 . 1 . 1 5 5 THR HG21 H 1 1.0310 0.02 . 1 . . . . . 29 THR HG2# . 26336 1 31 . 1 . 1 5 5 THR HG22 H 1 1.0310 0.02 . 1 . . . . . 29 THR HG2# . 26336 1 32 . 1 . 1 5 5 THR HG23 H 1 1.0310 0.02 . 1 . . . . . 29 THR HG2# . 26336 1 33 . 1 . 1 5 5 THR C C 13 172.3000 0.3 . 1 . . . . . 29 THR C . 26336 1 34 . 1 . 1 5 5 THR CA C 13 61.6200 0.3 . 1 . . . . . 29 THR CA . 26336 1 35 . 1 . 1 5 5 THR CB C 13 71.4700 0.3 . 1 . . . . . 29 THR CB . 26336 1 36 . 1 . 1 5 5 THR CG2 C 13 21.9200 0.3 . 1 . . . . . 29 THR CG2 . 26336 1 37 . 1 . 1 5 5 THR N N 15 117.3800 0.3 . 1 . . . . . 29 THR N . 26336 1 38 . 1 . 1 6 6 LEU H H 1 9.0700 0.02 . 1 . . . . . 30 LEU HN . 26336 1 39 . 1 . 1 6 6 LEU HA H 1 5.1000 0.02 . 1 . . . . . 30 LEU HA . 26336 1 40 . 1 . 1 6 6 LEU HB2 H 1 1.3240 0.02 . 2 . . . . . 30 LEU HB2 . 26336 1 41 . 1 . 1 6 6 LEU HB3 H 1 1.2660 0.02 . 2 . . . . . 30 LEU HB3 . 26336 1 42 . 1 . 1 6 6 LEU HD11 H 1 0.6140 0.02 . 2 . . . . . 30 LEU HD1# . 26336 1 43 . 1 . 1 6 6 LEU HD12 H 1 0.6140 0.02 . 2 . . . . . 30 LEU HD1# . 26336 1 44 . 1 . 1 6 6 LEU HD13 H 1 0.6140 0.02 . 2 . . . . . 30 LEU HD1# . 26336 1 45 . 1 . 1 6 6 LEU HG H 1 0.6240 0.02 . 1 . . . . . 30 LEU HG . 26336 1 46 . 1 . 1 6 6 LEU C C 13 173.9500 0.3 . 1 . . . . . 30 LEU C . 26336 1 47 . 1 . 1 6 6 LEU CA C 13 52.7600 0.3 . 1 . . . . . 30 LEU CA . 26336 1 48 . 1 . 1 6 6 LEU CB C 13 45.8500 0.3 . 1 . . . . . 30 LEU CB . 26336 1 49 . 1 . 1 6 6 LEU CD1 C 13 25.1800 0.3 . 2 . . . . . 30 LEU CD1 . 26336 1 50 . 1 . 1 6 6 LEU CG C 13 26.8700 0.3 . 1 . . . . . 30 LEU CG . 26336 1 51 . 1 . 1 6 6 LEU N N 15 127.2800 0.3 . 1 . . . . . 30 LEU N . 26336 1 52 . 1 . 1 7 7 VAL H H 1 8.9500 0.02 . 1 . . . . . 31 VAL HN . 26336 1 53 . 1 . 1 7 7 VAL HA H 1 4.5660 0.02 . 1 . . . . . 31 VAL HA . 26336 1 54 . 1 . 1 7 7 VAL HB H 1 2.1070 0.02 . 1 . . . . . 31 VAL HB . 26336 1 55 . 1 . 1 7 7 VAL HG11 H 1 0.7960 0.02 . 2 . . . . . 31 VAL HG1# . 26336 1 56 . 1 . 1 7 7 VAL HG12 H 1 0.7960 0.02 . 2 . . . . . 31 VAL HG1# . 26336 1 57 . 1 . 1 7 7 VAL HG13 H 1 0.7960 0.02 . 2 . . . . . 31 VAL HG1# . 26336 1 58 . 1 . 1 7 7 VAL C C 13 174.5200 0.3 . 1 . . . . . 31 VAL C . 26336 1 59 . 1 . 1 7 7 VAL CA C 13 61.4900 0.3 . 1 . . . . . 31 VAL CA . 26336 1 60 . 1 . 1 7 7 VAL CB C 13 32.7100 0.3 . 1 . . . . . 31 VAL CB . 26336 1 61 . 1 . 1 7 7 VAL CG1 C 13 20.6600 0.3 . 2 . . . . . 31 VAL CG1 . 26336 1 62 . 1 . 1 7 7 VAL N N 15 125.8600 0.3 . 1 . . . . . 31 VAL N . 26336 1 63 . 1 . 1 8 8 ILE H H 1 9.3400 0.02 . 1 . . . . . 32 ILE HN . 26336 1 64 . 1 . 1 8 8 ILE HA H 1 4.4750 0.02 . 1 . . . . . 32 ILE HA . 26336 1 65 . 1 . 1 8 8 ILE HB H 1 1.7870 0.02 . 1 . . . . . 32 ILE HB . 26336 1 66 . 1 . 1 8 8 ILE HD11 H 1 0.6510 0.02 . 1 . . . . . 32 ILE HD1# . 26336 1 67 . 1 . 1 8 8 ILE HD12 H 1 0.6510 0.02 . 1 . . . . . 32 ILE HD1# . 26336 1 68 . 1 . 1 8 8 ILE HD13 H 1 0.6510 0.02 . 1 . . . . . 32 ILE HD1# . 26336 1 69 . 1 . 1 8 8 ILE HG12 H 1 1.2450 0.02 . 2 . . . . . 32 ILE HG12 . 26336 1 70 . 1 . 1 8 8 ILE HG13 H 1 1.0260 0.02 . 2 . . . . . 32 ILE HG13 . 26336 1 71 . 1 . 1 8 8 ILE HG21 H 1 0.4560 0.02 . 1 . . . . . 32 ILE HG2# . 26336 1 72 . 1 . 1 8 8 ILE HG22 H 1 0.4560 0.02 . 1 . . . . . 32 ILE HG2# . 26336 1 73 . 1 . 1 8 8 ILE HG23 H 1 0.4560 0.02 . 1 . . . . . 32 ILE HG2# . 26336 1 74 . 1 . 1 8 8 ILE C C 13 173.5300 0.3 . 1 . . . . . 32 ILE C . 26336 1 75 . 1 . 1 8 8 ILE CA C 13 59.3500 0.3 . 1 . . . . . 32 ILE CA . 26336 1 76 . 1 . 1 8 8 ILE CB C 13 38.5400 0.3 . 1 . . . . . 32 ILE CB . 26336 1 77 . 1 . 1 8 8 ILE CD1 C 13 14.2400 0.3 . 1 . . . . . 32 ILE CD1 . 26336 1 78 . 1 . 1 8 8 ILE CG1 C 13 28.2700 0.3 . 1 . . . . . 32 ILE CG1 . 26336 1 79 . 1 . 1 8 8 ILE CG2 C 13 18.0300 0.3 . 1 . . . . . 32 ILE CG2 . 26336 1 80 . 1 . 1 8 8 ILE N N 15 127.1600 0.3 . 1 . . . . . 32 ILE N . 26336 1 81 . 1 . 1 9 9 ASP H H 1 8.6800 0.02 . 1 . . . . . 33 ASP HN . 26336 1 82 . 1 . 1 9 9 ASP HA H 1 4.9300 0.02 . 1 . . . . . 33 ASP HA . 26336 1 83 . 1 . 1 9 9 ASP HB2 H 1 2.7220 0.02 . 2 . . . . . 33 ASP HB2 . 26336 1 84 . 1 . 1 9 9 ASP HB3 H 1 2.2440 0.02 . 2 . . . . . 33 ASP HB3 . 26336 1 85 . 1 . 1 9 9 ASP C C 13 175.6900 0.3 . 1 . . . . . 33 ASP C . 26336 1 86 . 1 . 1 9 9 ASP CA C 13 52.5300 0.3 . 1 . . . . . 33 ASP CA . 26336 1 87 . 1 . 1 9 9 ASP CB C 13 42.0200 0.3 . 1 . . . . . 33 ASP CB . 26336 1 88 . 1 . 1 9 9 ASP N N 15 126.7300 0.3 . 1 . . . . . 33 ASP N . 26336 1 89 . 1 . 1 10 10 LEU H H 1 8.4700 0.02 . 1 . . . . . 34 LEU HN . 26336 1 90 . 1 . 1 10 10 LEU HA H 1 4.3000 0.02 . 1 . . . . . 34 LEU HA . 26336 1 91 . 1 . 1 10 10 LEU HB2 H 1 1.8000 0.02 . 2 . . . . . 34 LEU HB2 . 26336 1 92 . 1 . 1 10 10 LEU HB3 H 1 1.4600 0.02 . 2 . . . . . 34 LEU HB3 . 26336 1 93 . 1 . 1 10 10 LEU HD11 H 1 0.6230 0.02 . 2 . . . . . 34 LEU HD1# . 26336 1 94 . 1 . 1 10 10 LEU HD12 H 1 0.6230 0.02 . 2 . . . . . 34 LEU HD1# . 26336 1 95 . 1 . 1 10 10 LEU HD13 H 1 0.6230 0.02 . 2 . . . . . 34 LEU HD1# . 26336 1 96 . 1 . 1 10 10 LEU HD21 H 1 0.2060 0.02 . 2 . . . . . 34 LEU HD2# . 26336 1 97 . 1 . 1 10 10 LEU HD22 H 1 0.2060 0.02 . 2 . . . . . 34 LEU HD2# . 26336 1 98 . 1 . 1 10 10 LEU HD23 H 1 0.2060 0.02 . 2 . . . . . 34 LEU HD2# . 26336 1 99 . 1 . 1 10 10 LEU C C 13 176.0700 0.3 . 1 . . . . . 34 LEU C . 26336 1 100 . 1 . 1 10 10 LEU CA C 13 54.1600 0.3 . 1 . . . . . 34 LEU CA . 26336 1 101 . 1 . 1 10 10 LEU CB C 13 42.2100 0.3 . 1 . . . . . 34 LEU CB . 26336 1 102 . 1 . 1 10 10 LEU CD1 C 13 26.9300 0.3 . 2 . . . . . 34 LEU CD1 . 26336 1 103 . 1 . 1 10 10 LEU CD2 C 13 23.4400 0.3 . 2 . . . . . 34 LEU CD2 . 26336 1 104 . 1 . 1 10 10 LEU N N 15 124.4300 0.3 . 1 . . . . . 34 LEU N . 26336 1 105 . 1 . 1 11 11 GLU H H 1 8.3000 0.02 . 1 . . . . . 35 GLU HN . 26336 1 106 . 1 . 1 11 11 GLU HA H 1 4.6500 0.02 . 1 . . . . . 35 GLU HA . 26336 1 107 . 1 . 1 11 11 GLU HB2 H 1 2.7600 0.02 . 2 . . . . . 35 GLU HB2 . 26336 1 108 . 1 . 1 11 11 GLU HB3 H 1 2.5900 0.02 . 2 . . . . . 35 GLU HB3 . 26336 1 109 . 1 . 1 11 11 GLU HG2 H 1 2.0500 0.02 . 2 . . . . . 35 GLU HG2 . 26336 1 110 . 1 . 1 11 11 GLU C C 13 174.3900 0.3 . 1 . . . . . 35 GLU C . 26336 1 111 . 1 . 1 11 11 GLU CA C 13 54.2000 0.3 . 1 . . . . . 35 GLU CA . 26336 1 112 . 1 . 1 11 11 GLU CB C 13 34.2400 0.3 . 1 . . . . . 35 GLU CB . 26336 1 113 . 1 . 1 11 11 GLU CG C 13 32.8500 0.3 . 1 . . . . . 35 GLU CG . 26336 1 114 . 1 . 1 11 11 GLU N N 15 122.0500 0.3 . 1 . . . . . 35 GLU N . 26336 1 115 . 1 . 1 13 13 PRO HA H 1 4.4700 0.02 . 1 . . . . . 37 PRO HA . 26336 1 116 . 1 . 1 13 13 PRO HB3 H 1 1.3100 0.02 . 2 . . . . . 37 PRO HB3 . 26336 1 117 . 1 . 1 13 13 PRO HD3 H 1 3.3550 0.02 . 2 . . . . . 37 PRO HD3 . 26336 1 118 . 1 . 1 13 13 PRO HG2 H 1 1.3020 0.02 . 2 . . . . . 37 PRO HG2 . 26336 1 119 . 1 . 1 13 13 PRO HG3 H 1 1.1010 0.02 . 2 . . . . . 37 PRO HG3 . 26336 1 120 . 1 . 1 13 13 PRO C C 13 176.4900 0.3 . 1 . . . . . 37 PRO C . 26336 1 121 . 1 . 1 13 13 PRO CA C 13 62.2500 0.3 . 1 . . . . . 37 PRO CA . 26336 1 122 . 1 . 1 13 13 PRO CB C 13 32.3700 0.3 . 1 . . . . . 37 PRO CB . 26336 1 123 . 1 . 1 13 13 PRO CD C 13 49.7900 0.3 . 1 . . . . . 37 PRO CD . 26336 1 124 . 1 . 1 13 13 PRO CG C 13 26.9500 0.3 . 1 . . . . . 37 PRO CG . 26336 1 125 . 1 . 1 14 14 ALA H H 1 8.2820 0.02 . 1 . . . . . 38 ALA HN . 26336 1 126 . 1 . 1 14 14 ALA HA H 1 4.2460 0.02 . 1 . . . . . 38 ALA HA . 26336 1 127 . 1 . 1 14 14 ALA HB1 H 1 1.3800 0.02 . 1 . . . . . 38 ALA HB# . 26336 1 128 . 1 . 1 14 14 ALA HB2 H 1 1.3800 0.02 . 1 . . . . . 38 ALA HB# . 26336 1 129 . 1 . 1 14 14 ALA HB3 H 1 1.3800 0.02 . 1 . . . . . 38 ALA HB# . 26336 1 130 . 1 . 1 14 14 ALA C C 13 177.4800 0.3 . 1 . . . . . 38 ALA C . 26336 1 131 . 1 . 1 14 14 ALA CA C 13 52.7500 0.3 . 1 . . . . . 38 ALA CA . 26336 1 132 . 1 . 1 14 14 ALA CB C 13 19.0200 0.3 . 1 . . . . . 38 ALA CB . 26336 1 133 . 1 . 1 14 14 ALA N N 15 123.3000 0.3 . 1 . . . . . 38 ALA N . 26336 1 134 . 1 . 1 15 15 ALA H H 1 8.2400 0.02 . 1 . . . . . 39 ALA HN . 26336 1 135 . 1 . 1 15 15 ALA HA H 1 4.2500 0.02 . 1 . . . . . 39 ALA HA . 26336 1 136 . 1 . 1 15 15 ALA HB1 H 1 1.3190 0.02 . 1 . . . . . 39 ALA HB# . 26336 1 137 . 1 . 1 15 15 ALA HB2 H 1 1.3190 0.02 . 1 . . . . . 39 ALA HB# . 26336 1 138 . 1 . 1 15 15 ALA HB3 H 1 1.3190 0.02 . 1 . . . . . 39 ALA HB# . 26336 1 139 . 1 . 1 15 15 ALA C C 13 177.2200 0.3 . 1 . . . . . 39 ALA C . 26336 1 140 . 1 . 1 15 15 ALA CA C 13 52.5700 0.3 . 1 . . . . . 39 ALA CA . 26336 1 141 . 1 . 1 15 15 ALA CB C 13 19.2300 0.3 . 1 . . . . . 39 ALA CB . 26336 1 142 . 1 . 1 15 15 ALA N N 15 121.5400 0.3 . 1 . . . . . 39 ALA N . 26336 1 143 . 1 . 1 16 16 PHE H H 1 8.1140 0.02 . 1 . . . . . 40 PHE HN . 26336 1 144 . 1 . 1 16 16 PHE HA H 1 4.6300 0.02 . 1 . . . . . 40 PHE HA . 26336 1 145 . 1 . 1 16 16 PHE HB2 H 1 3.2450 0.02 . 2 . . . . . 40 PHE HB2 . 26336 1 146 . 1 . 1 16 16 PHE HB3 H 1 3.0510 0.02 . 2 . . . . . 40 PHE HB3 . 26336 1 147 . 1 . 1 16 16 PHE HD1 H 1 7.2910 0.02 . 3 . . . . . 40 PHE HD1 . 26336 1 148 . 1 . 1 16 16 PHE C C 13 175.5400 0.3 . 1 . . . . . 40 PHE C . 26336 1 149 . 1 . 1 16 16 PHE CA C 13 57.2800 0.3 . 1 . . . . . 40 PHE CA . 26336 1 150 . 1 . 1 16 16 PHE CB C 13 39.6000 0.3 . 1 . . . . . 40 PHE CB . 26336 1 151 . 1 . 1 16 16 PHE N N 15 118.3500 0.3 . 1 . . . . . 40 PHE N . 26336 1 152 . 1 . 1 17 17 ALA H H 1 8.2000 0.02 . 1 . . . . . 41 ALA HN . 26336 1 153 . 1 . 1 17 17 ALA HA H 1 4.2910 0.02 . 1 . . . . . 41 ALA HA . 26336 1 154 . 1 . 1 17 17 ALA HB1 H 1 1.4080 0.02 . 1 . . . . . 41 ALA HB# . 26336 1 155 . 1 . 1 17 17 ALA HB2 H 1 1.4080 0.02 . 1 . . . . . 41 ALA HB# . 26336 1 156 . 1 . 1 17 17 ALA HB3 H 1 1.4080 0.02 . 1 . . . . . 41 ALA HB# . 26336 1 157 . 1 . 1 17 17 ALA C C 13 177.3100 0.3 . 1 . . . . . 41 ALA C . 26336 1 158 . 1 . 1 17 17 ALA CA C 13 52.5300 0.3 . 1 . . . . . 41 ALA CA . 26336 1 159 . 1 . 1 17 17 ALA CB C 13 19.2300 0.3 . 1 . . . . . 41 ALA CB . 26336 1 160 . 1 . 1 17 17 ALA N N 15 124.5300 0.3 . 1 . . . . . 41 ALA N . 26336 1 161 . 1 . 1 18 18 ASP H H 1 8.2440 0.02 . 1 . . . . . 42 ASP HN . 26336 1 162 . 1 . 1 18 18 ASP HA H 1 4.5870 0.02 . 1 . . . . . 42 ASP HA . 26336 1 163 . 1 . 1 18 18 ASP HB2 H 1 2.7450 0.02 . 2 . . . . . 42 ASP HB2 . 26336 1 164 . 1 . 1 18 18 ASP HB3 H 1 2.6520 0.02 . 2 . . . . . 42 ASP HB3 . 26336 1 165 . 1 . 1 18 18 ASP C C 13 175.8700 0.3 . 1 . . . . . 42 ASP C . 26336 1 166 . 1 . 1 18 18 ASP CA C 13 54.4400 0.3 . 1 . . . . . 42 ASP CA . 26336 1 167 . 1 . 1 18 18 ASP CB C 13 40.9400 0.3 . 1 . . . . . 42 ASP CB . 26336 1 168 . 1 . 1 18 18 ASP N N 15 118.3700 0.3 . 1 . . . . . 42 ASP N . 26336 1 169 . 1 . 1 19 19 ASP H H 1 8.2270 0.02 . 1 . . . . . 43 ASP HN . 26336 1 170 . 1 . 1 19 19 ASP HA H 1 4.6100 0.02 . 1 . . . . . 43 ASP HA . 26336 1 171 . 1 . 1 19 19 ASP HB2 H 1 2.7260 0.02 . 2 . . . . . 43 ASP HB2 . 26336 1 172 . 1 . 1 19 19 ASP HB3 H 1 2.6880 0.02 . 2 . . . . . 43 ASP HB3 . 26336 1 173 . 1 . 1 19 19 ASP C C 13 175.8400 0.3 . 1 . . . . . 43 ASP C . 26336 1 174 . 1 . 1 19 19 ASP CA C 13 54.0900 0.3 . 1 . . . . . 43 ASP CA . 26336 1 175 . 1 . 1 19 19 ASP CB C 13 40.7200 0.3 . 1 . . . . . 43 ASP CB . 26336 1 176 . 1 . 1 19 19 ASP N N 15 118.4500 0.3 . 1 . . . . . 43 ASP N . 26336 1 177 . 1 . 1 20 20 GLN H H 1 8.1000 0.02 . 1 . . . . . 44 GLN HN . 26336 1 178 . 1 . 1 20 20 GLN HA H 1 4.6200 0.02 . 1 . . . . . 44 GLN HA . 26336 1 179 . 1 . 1 20 20 GLN HB2 H 1 2.1100 0.02 . 2 . . . . . 44 GLN HB2 . 26336 1 180 . 1 . 1 20 20 GLN HB3 H 1 1.9500 0.02 . 2 . . . . . 44 GLN HB3 . 26336 1 181 . 1 . 1 20 20 GLN HE21 H 1 6.8300 0.02 . 2 . . . . . 44 GLN HE21 . 26336 1 182 . 1 . 1 20 20 GLN HE22 H 1 7.5700 0.02 . 2 . . . . . 44 GLN HE22 . 26336 1 183 . 1 . 1 20 20 GLN HG2 H 1 2.3800 0.02 . 2 . . . . . 44 GLN HG2 . 26336 1 184 . 1 . 1 20 20 GLN HG3 H 1 2.3600 0.02 . 2 . . . . . 44 GLN HG3 . 26336 1 185 . 1 . 1 20 20 GLN C C 13 173.9500 0.3 . 1 . . . . . 44 GLN C . 26336 1 186 . 1 . 1 20 20 GLN CA C 13 53.5500 0.3 . 1 . . . . . 44 GLN CA . 26336 1 187 . 1 . 1 20 20 GLN CB C 13 28.9500 0.3 . 1 . . . . . 44 GLN CB . 26336 1 188 . 1 . 1 20 20 GLN CG C 13 33.4400 0.3 . 1 . . . . . 44 GLN CG . 26336 1 189 . 1 . 1 20 20 GLN N N 15 120.0600 0.3 . 1 . . . . . 44 GLN N . 26336 1 190 . 1 . 1 20 20 GLN NE2 N 15 112.7100 0.3 . 1 . . . . . 44 GLN NE2 . 26336 1 191 . 1 . 1 21 21 PRO HA H 1 4.4250 0.02 . 1 . . . . . 45 PRO HA . 26336 1 192 . 1 . 1 21 21 PRO HB2 H 1 1.8310 0.02 . 2 . . . . . 45 PRO HB2 . 26336 1 193 . 1 . 1 21 21 PRO HD2 H 1 3.7870 0.02 . 2 . . . . . 45 PRO HD2 . 26336 1 194 . 1 . 1 21 21 PRO HD3 H 1 3.6420 0.02 . 2 . . . . . 45 PRO HD3 . 26336 1 195 . 1 . 1 21 21 PRO HG2 H 1 1.9900 0.02 . 2 . . . . . 45 PRO HG2 . 26336 1 196 . 1 . 1 21 21 PRO C C 13 176.8800 0.3 . 1 . . . . . 45 PRO C . 26336 1 197 . 1 . 1 21 21 PRO CA C 13 63.5000 0.3 . 1 . . . . . 45 PRO CA . 26336 1 198 . 1 . 1 21 21 PRO CB C 13 32.0400 0.3 . 1 . . . . . 45 PRO CB . 26336 1 199 . 1 . 1 21 21 PRO CD C 13 50.5600 0.3 . 1 . . . . . 45 PRO CD . 26336 1 200 . 1 . 1 21 21 PRO CG C 13 27.3600 0.3 . 1 . . . . . 45 PRO CG . 26336 1 201 . 1 . 1 22 22 GLN H H 1 8.7400 0.02 . 1 . . . . . 46 GLN HN . 26336 1 202 . 1 . 1 22 22 GLN HA H 1 4.4300 0.02 . 1 . . . . . 46 GLN HA . 26336 1 203 . 1 . 1 22 22 GLN HB2 H 1 2.1500 0.02 . 2 . . . . . 46 GLN HB2 . 26336 1 204 . 1 . 1 22 22 GLN HB3 H 1 1.8900 0.02 . 2 . . . . . 46 GLN HB3 . 26336 1 205 . 1 . 1 22 22 GLN HE21 H 1 6.8900 0.02 . 2 . . . . . 46 GLN HE21 . 26336 1 206 . 1 . 1 22 22 GLN HE22 H 1 7.6100 0.02 . 2 . . . . . 46 GLN HE22 . 26336 1 207 . 1 . 1 22 22 GLN HG2 H 1 2.4100 0.02 . 2 . . . . . 46 GLN HG2 . 26336 1 208 . 1 . 1 22 22 GLN C C 13 176.4400 0.3 . 1 . . . . . 46 GLN C . 26336 1 209 . 1 . 1 22 22 GLN CA C 13 55.4500 0.3 . 1 . . . . . 46 GLN CA . 26336 1 210 . 1 . 1 22 22 GLN CB C 13 30.3700 0.3 . 1 . . . . . 46 GLN CB . 26336 1 211 . 1 . 1 22 22 GLN CG C 13 33.7000 0.3 . 1 . . . . . 46 GLN CG . 26336 1 212 . 1 . 1 22 22 GLN N N 15 119.6900 0.3 . 1 . . . . . 46 GLN N . 26336 1 213 . 1 . 1 22 22 GLN NE2 N 15 112.2300 0.3 . 1 . . . . . 46 GLN NE2 . 26336 1 214 . 1 . 1 23 23 GLY H H 1 8.7600 0.02 . 1 . . . . . 47 GLY HN . 26336 1 215 . 1 . 1 23 23 GLY HA2 H 1 4.0000 0.02 . 2 . . . . . 47 GLY HA2 . 26336 1 216 . 1 . 1 23 23 GLY HA3 H 1 3.8000 0.02 . 2 . . . . . 47 GLY HA3 . 26336 1 217 . 1 . 1 23 23 GLY C C 13 173.7500 0.3 . 1 . . . . . 47 GLY C . 26336 1 218 . 1 . 1 23 23 GLY CA C 13 45.7000 0.3 . 1 . . . . . 47 GLY CA . 26336 1 219 . 1 . 1 23 23 GLY N N 15 108.4200 0.3 . 1 . . . . . 47 GLY N . 26336 1 220 . 1 . 1 24 24 HIS H H 1 8.1300 0.02 . 1 . . . . . 48 HIS HN . 26336 1 221 . 1 . 1 24 24 HIS HA H 1 4.7000 0.02 . 1 . . . . . 48 HIS HA . 26336 1 222 . 1 . 1 24 24 HIS HB2 H 1 3.0700 0.02 . 2 . . . . . 48 HIS HB2 . 26336 1 223 . 1 . 1 24 24 HIS HB3 H 1 3.0200 0.02 . 2 . . . . . 48 HIS HB3 . 26336 1 224 . 1 . 1 24 24 HIS HD2 H 1 6.9100 0.02 . 1 . . . . . 48 HIS HD2 . 26336 1 225 . 1 . 1 24 24 HIS C C 13 174.4500 0.3 . 1 . . . . . 48 HIS C . 26336 1 226 . 1 . 1 24 24 HIS CA C 13 55.0700 0.3 . 1 . . . . . 48 HIS CA . 26336 1 227 . 1 . 1 24 24 HIS CB C 13 31.9600 0.3 . 1 . . . . . 48 HIS CB . 26336 1 228 . 1 . 1 24 24 HIS CD2 C 13 118.4400 0.3 . 1 . . . . . 48 HIS CD2 . 26336 1 229 . 1 . 1 24 24 HIS N N 15 119.1500 0.3 . 1 . . . . . 48 HIS N . 26336 1 230 . 1 . 1 25 25 ASN H H 1 8.0200 0.02 . 1 . . . . . 49 ASN HN . 26336 1 231 . 1 . 1 25 25 ASN HA H 1 4.4200 0.02 . 1 . . . . . 49 ASN HA . 26336 1 232 . 1 . 1 25 25 ASN HB2 H 1 2.9100 0.02 . 2 . . . . . 49 ASN HB2 . 26336 1 233 . 1 . 1 25 25 ASN HB3 H 1 2.6800 0.02 . 2 . . . . . 49 ASN HB3 . 26336 1 234 . 1 . 1 25 25 ASN HD21 H 1 6.8900 0.02 . 2 . . . . . 49 ASN HD21 . 26336 1 235 . 1 . 1 25 25 ASN HD22 H 1 7.6100 0.02 . 2 . . . . . 49 ASN HD22 . 26336 1 236 . 1 . 1 25 25 ASN C C 13 174.0600 0.3 . 1 . . . . . 49 ASN C . 26336 1 237 . 1 . 1 25 25 ASN CA C 13 53.7700 0.3 . 1 . . . . . 49 ASN CA . 26336 1 238 . 1 . 1 25 25 ASN CB C 13 37.5400 0.3 . 1 . . . . . 49 ASN CB . 26336 1 239 . 1 . 1 25 25 ASN N N 15 118.5900 0.3 . 1 . . . . . 49 ASN N . 26336 1 240 . 1 . 1 25 25 ASN ND2 N 15 112.3300 0.3 . 1 . . . . . 49 ASN ND2 . 26336 1 241 . 1 . 1 26 26 ILE H H 1 8.4000 0.02 . 1 . . . . . 50 ILE HN . 26336 1 242 . 1 . 1 26 26 ILE HA H 1 4.1400 0.02 . 1 . . . . . 50 ILE HA . 26336 1 243 . 1 . 1 26 26 ILE HB H 1 1.6590 0.02 . 1 . . . . . 50 ILE HB . 26336 1 244 . 1 . 1 26 26 ILE HD11 H 1 0.7500 0.02 . 1 . . . . . 50 ILE HD1# . 26336 1 245 . 1 . 1 26 26 ILE HD12 H 1 0.7500 0.02 . 1 . . . . . 50 ILE HD1# . 26336 1 246 . 1 . 1 26 26 ILE HD13 H 1 0.7500 0.02 . 1 . . . . . 50 ILE HD1# . 26336 1 247 . 1 . 1 26 26 ILE HG12 H 1 1.4800 0.02 . 2 . . . . . 50 ILE HG12 . 26336 1 248 . 1 . 1 26 26 ILE HG13 H 1 1.0300 0.02 . 2 . . . . . 50 ILE HG13 . 26336 1 249 . 1 . 1 26 26 ILE HG21 H 1 0.9400 0.02 . 1 . . . . . 50 ILE HG2# . 26336 1 250 . 1 . 1 26 26 ILE HG22 H 1 0.9400 0.02 . 1 . . . . . 50 ILE HG2# . 26336 1 251 . 1 . 1 26 26 ILE HG23 H 1 0.9400 0.02 . 1 . . . . . 50 ILE HG2# . 26336 1 252 . 1 . 1 26 26 ILE C C 13 174.5800 0.3 . 1 . . . . . 50 ILE C . 26336 1 253 . 1 . 1 26 26 ILE CA C 13 61.0900 0.3 . 1 . . . . . 50 ILE CA . 26336 1 254 . 1 . 1 26 26 ILE CB C 13 39.4300 0.3 . 1 . . . . . 50 ILE CB . 26336 1 255 . 1 . 1 26 26 ILE CD1 C 13 13.1400 0.3 . 1 . . . . . 50 ILE CD1 . 26336 1 256 . 1 . 1 26 26 ILE CG1 C 13 27.8500 0.3 . 1 . . . . . 50 ILE CG1 . 26336 1 257 . 1 . 1 26 26 ILE CG2 C 13 17.3800 0.3 . 1 . . . . . 50 ILE CG2 . 26336 1 258 . 1 . 1 26 26 ILE N N 15 120.5400 0.3 . 1 . . . . . 50 ILE N . 26336 1 259 . 1 . 1 27 27 ASP H H 1 8.2500 0.02 . 1 . . . . . 51 ASP HN . 26336 1 260 . 1 . 1 27 27 ASP HA H 1 5.2200 0.02 . 1 . . . . . 51 ASP HA . 26336 1 261 . 1 . 1 27 27 ASP HB2 H 1 2.7600 0.02 . 2 . . . . . 51 ASP HB2 . 26336 1 262 . 1 . 1 27 27 ASP HB3 H 1 2.6000 0.02 . 2 . . . . . 51 ASP HB3 . 26336 1 263 . 1 . 1 27 27 ASP C C 13 173.9800 0.3 . 1 . . . . . 51 ASP C . 26336 1 264 . 1 . 1 27 27 ASP CA C 13 54.4300 0.3 . 1 . . . . . 51 ASP CA . 26336 1 265 . 1 . 1 27 27 ASP CB C 13 42.2400 0.3 . 1 . . . . . 51 ASP CB . 26336 1 266 . 1 . 1 27 27 ASP N N 15 128.2900 0.3 . 1 . . . . . 51 ASP N . 26336 1 267 . 1 . 1 28 28 VAL H H 1 9.0800 0.02 . 1 . . . . . 52 VAL HN . 26336 1 268 . 1 . 1 28 28 VAL HA H 1 4.7100 0.02 . 1 . . . . . 52 VAL HA . 26336 1 269 . 1 . 1 28 28 VAL HB H 1 2.0100 0.02 . 1 . . . . . 52 VAL HB . 26336 1 270 . 1 . 1 28 28 VAL HG11 H 1 0.9000 0.02 . 2 . . . . . 52 VAL HG1# . 26336 1 271 . 1 . 1 28 28 VAL HG12 H 1 0.9000 0.02 . 2 . . . . . 52 VAL HG1# . 26336 1 272 . 1 . 1 28 28 VAL HG13 H 1 0.9000 0.02 . 2 . . . . . 52 VAL HG1# . 26336 1 273 . 1 . 1 28 28 VAL HG21 H 1 0.8400 0.02 . 2 . . . . . 52 VAL HG2# . 26336 1 274 . 1 . 1 28 28 VAL HG22 H 1 0.8400 0.02 . 2 . . . . . 52 VAL HG2# . 26336 1 275 . 1 . 1 28 28 VAL HG23 H 1 0.8400 0.02 . 2 . . . . . 52 VAL HG2# . 26336 1 276 . 1 . 1 28 28 VAL C C 13 174.9100 0.3 . 1 . . . . . 52 VAL C . 26336 1 277 . 1 . 1 28 28 VAL CA C 13 60.8500 0.3 . 1 . . . . . 52 VAL CA . 26336 1 278 . 1 . 1 28 28 VAL CB C 13 34.4900 0.3 . 1 . . . . . 52 VAL CB . 26336 1 279 . 1 . 1 28 28 VAL CG1 C 13 22.2300 0.3 . 2 . . . . . 52 VAL CG1 . 26336 1 280 . 1 . 1 28 28 VAL CG2 C 13 21.0700 0.3 . 2 . . . . . 52 VAL CG2 . 26336 1 281 . 1 . 1 28 28 VAL N N 15 122.7100 0.3 . 1 . . . . . 52 VAL N . 26336 1 282 . 1 . 1 29 29 THR H H 1 9.4920 0.02 . 1 . . . . . 53 THR HN . 26336 1 283 . 1 . 1 29 29 THR HA H 1 4.9600 0.02 . 1 . . . . . 53 THR HA . 26336 1 284 . 1 . 1 29 29 THR HB H 1 3.7900 0.02 . 1 . . . . . 53 THR HB . 26336 1 285 . 1 . 1 29 29 THR HG21 H 1 1.0910 0.02 . 1 . . . . . 53 THR HG2# . 26336 1 286 . 1 . 1 29 29 THR HG22 H 1 1.0910 0.02 . 1 . . . . . 53 THR HG2# . 26336 1 287 . 1 . 1 29 29 THR HG23 H 1 1.0910 0.02 . 1 . . . . . 53 THR HG2# . 26336 1 288 . 1 . 1 29 29 THR C C 13 172.3100 0.3 . 1 . . . . . 53 THR C . 26336 1 289 . 1 . 1 29 29 THR CA C 13 62.6800 0.3 . 1 . . . . . 53 THR CA . 26336 1 290 . 1 . 1 29 29 THR CB C 13 71.5700 0.3 . 1 . . . . . 53 THR CB . 26336 1 291 . 1 . 1 29 29 THR CG2 C 13 20.8000 0.3 . 1 . . . . . 53 THR CG2 . 26336 1 292 . 1 . 1 29 29 THR N N 15 121.3500 0.3 . 1 . . . . . 53 THR N . 26336 1 293 . 1 . 1 30 30 VAL H H 1 9.0300 0.02 . 1 . . . . . 54 VAL HN . 26336 1 294 . 1 . 1 30 30 VAL HA H 1 5.3300 0.02 . 1 . . . . . 54 VAL HA . 26336 1 295 . 1 . 1 30 30 VAL HB H 1 2.0300 0.02 . 1 . . . . . 54 VAL HB . 26336 1 296 . 1 . 1 30 30 VAL HG11 H 1 0.9150 0.02 . 2 . . . . . 54 VAL HG1# . 26336 1 297 . 1 . 1 30 30 VAL HG12 H 1 0.9150 0.02 . 2 . . . . . 54 VAL HG1# . 26336 1 298 . 1 . 1 30 30 VAL HG13 H 1 0.9150 0.02 . 2 . . . . . 54 VAL HG1# . 26336 1 299 . 1 . 1 30 30 VAL HG21 H 1 0.7450 0.02 . 2 . . . . . 54 VAL HG2# . 26336 1 300 . 1 . 1 30 30 VAL HG22 H 1 0.7450 0.02 . 2 . . . . . 54 VAL HG2# . 26336 1 301 . 1 . 1 30 30 VAL HG23 H 1 0.7450 0.02 . 2 . . . . . 54 VAL HG2# . 26336 1 302 . 1 . 1 30 30 VAL C C 13 175.1500 0.3 . 1 . . . . . 54 VAL C . 26336 1 303 . 1 . 1 30 30 VAL CA C 13 60.3000 0.3 . 1 . . . . . 54 VAL CA . 26336 1 304 . 1 . 1 30 30 VAL CB C 13 34.2600 0.3 . 1 . . . . . 54 VAL CB . 26336 1 305 . 1 . 1 30 30 VAL CG1 C 13 22.3100 0.3 . 2 . . . . . 54 VAL CG1 . 26336 1 306 . 1 . 1 30 30 VAL CG2 C 13 21.4500 0.3 . 2 . . . . . 54 VAL CG2 . 26336 1 307 . 1 . 1 30 30 VAL N N 15 126.2100 0.3 . 1 . . . . . 54 VAL N . 26336 1 308 . 1 . 1 31 31 ALA H H 1 9.1600 0.02 . 1 . . . . . 55 ALA HN . 26336 1 309 . 1 . 1 31 31 ALA HA H 1 5.1800 0.02 . 1 . . . . . 55 ALA HA . 26336 1 310 . 1 . 1 31 31 ALA HB1 H 1 1.2500 0.02 . 1 . . . . . 55 ALA HB# . 26336 1 311 . 1 . 1 31 31 ALA HB2 H 1 1.2500 0.02 . 1 . . . . . 55 ALA HB# . 26336 1 312 . 1 . 1 31 31 ALA HB3 H 1 1.2500 0.02 . 1 . . . . . 55 ALA HB# . 26336 1 313 . 1 . 1 31 31 ALA C C 13 174.5900 0.3 . 1 . . . . . 55 ALA C . 26336 1 314 . 1 . 1 31 31 ALA CA C 13 50.5900 0.3 . 1 . . . . . 55 ALA CA . 26336 1 315 . 1 . 1 31 31 ALA CB C 13 22.1700 0.3 . 1 . . . . . 55 ALA CB . 26336 1 316 . 1 . 1 31 31 ALA N N 15 128.2300 0.3 . 1 . . . . . 55 ALA N . 26336 1 317 . 1 . 1 32 32 LYS H H 1 9.1100 0.02 . 1 . . . . . 56 LYS HN . 26336 1 318 . 1 . 1 32 32 LYS HA H 1 3.6300 0.02 . 1 . . . . . 56 LYS HA . 26336 1 319 . 1 . 1 32 32 LYS HB2 H 1 1.5590 0.02 . 2 . . . . . 56 LYS HB2 . 26336 1 320 . 1 . 1 32 32 LYS HB3 H 1 1.3400 0.02 . 2 . . . . . 56 LYS HB3 . 26336 1 321 . 1 . 1 32 32 LYS HD2 H 1 0.9690 0.02 . 2 . . . . . 56 LYS HD2 . 26336 1 322 . 1 . 1 32 32 LYS HE2 H 1 3.1400 0.02 . 2 . . . . . 56 LYS HE2 . 26336 1 323 . 1 . 1 32 32 LYS HE3 H 1 3.0600 0.02 . 2 . . . . . 56 LYS HE3 . 26336 1 324 . 1 . 1 32 32 LYS HG2 H 1 0.7070 0.02 . 2 . . . . . 56 LYS HG2 . 26336 1 325 . 1 . 1 32 32 LYS C C 13 175.5400 0.3 . 1 . . . . . 56 LYS C . 26336 1 326 . 1 . 1 32 32 LYS CA C 13 55.7700 0.3 . 1 . . . . . 56 LYS CA . 26336 1 327 . 1 . 1 32 32 LYS CB C 13 33.6700 0.3 . 1 . . . . . 56 LYS CB . 26336 1 328 . 1 . 1 32 32 LYS CD C 13 29.8000 0.3 . 1 . . . . . 56 LYS CD . 26336 1 329 . 1 . 1 32 32 LYS CE C 13 41.8400 0.3 . 1 . . . . . 56 LYS CE . 26336 1 330 . 1 . 1 32 32 LYS CG C 13 25.5100 0.3 . 1 . . . . . 56 LYS CG . 26336 1 331 . 1 . 1 32 32 LYS N N 15 125.8400 0.3 . 1 . . . . . 56 LYS N . 26336 1 332 . 1 . 1 33 33 LEU H H 1 8.9900 0.02 . 1 . . . . . 57 LEU HN . 26336 1 333 . 1 . 1 33 33 LEU HA H 1 4.6200 0.02 . 1 . . . . . 57 LEU HA . 26336 1 334 . 1 . 1 33 33 LEU HB3 H 1 1.5200 0.02 . 2 . . . . . 57 LEU HB3 . 26336 1 335 . 1 . 1 33 33 LEU HD11 H 1 0.7960 0.02 . 2 . . . . . 57 LEU HD1# . 26336 1 336 . 1 . 1 33 33 LEU HD12 H 1 0.7960 0.02 . 2 . . . . . 57 LEU HD1# . 26336 1 337 . 1 . 1 33 33 LEU HD13 H 1 0.7960 0.02 . 2 . . . . . 57 LEU HD1# . 26336 1 338 . 1 . 1 33 33 LEU HG H 1 1.1000 0.02 . 1 . . . . . 57 LEU HG . 26336 1 339 . 1 . 1 33 33 LEU C C 13 177.1700 0.3 . 1 . . . . . 57 LEU C . 26336 1 340 . 1 . 1 33 33 LEU CA C 13 53.0600 0.3 . 1 . . . . . 57 LEU CA . 26336 1 341 . 1 . 1 33 33 LEU CB C 13 40.9600 0.3 . 1 . . . . . 57 LEU CB . 26336 1 342 . 1 . 1 33 33 LEU CD1 C 13 22.5600 0.3 . 2 . . . . . 57 LEU CD1 . 26336 1 343 . 1 . 1 33 33 LEU CD2 C 13 22.3500 0.3 . 2 . . . . . 57 LEU CD2 . 26336 1 344 . 1 . 1 33 33 LEU CG C 13 27.8800 0.3 . 1 . . . . . 57 LEU CG . 26336 1 345 . 1 . 1 33 33 LEU N N 15 124.5000 0.3 . 1 . . . . . 57 LEU N . 26336 1 346 . 1 . 1 34 34 HIS H H 1 8.8580 0.02 . 1 . . . . . 58 HIS HN . 26336 1 347 . 1 . 1 34 34 HIS HA H 1 4.2900 0.02 . 1 . . . . . 58 HIS HA . 26336 1 348 . 1 . 1 34 34 HIS HB2 H 1 3.2200 0.02 . 2 . . . . . 58 HIS HB2 . 26336 1 349 . 1 . 1 34 34 HIS HB3 H 1 2.9100 0.02 . 2 . . . . . 58 HIS HB3 . 26336 1 350 . 1 . 1 34 34 HIS HD2 H 1 7.0900 0.02 . 1 . . . . . 58 HIS HD2 . 26336 1 351 . 1 . 1 34 34 HIS C C 13 175.0800 0.3 . 1 . . . . . 58 HIS C . 26336 1 352 . 1 . 1 34 34 HIS CA C 13 57.4600 0.3 . 1 . . . . . 58 HIS CA . 26336 1 353 . 1 . 1 34 34 HIS CB C 13 29.6800 0.3 . 1 . . . . . 58 HIS CB . 26336 1 354 . 1 . 1 34 34 HIS CD2 C 13 119.2400 0.3 . 1 . . . . . 58 HIS CD2 . 26336 1 355 . 1 . 1 34 34 HIS N N 15 125.8000 0.3 . 1 . . . . . 58 HIS N . 26336 1 356 . 1 . 1 35 35 ASN H H 1 8.9300 0.02 . 1 . . . . . 59 ASN HN . 26336 1 357 . 1 . 1 35 35 ASN HA H 1 4.1400 0.02 . 1 . . . . . 59 ASN HA . 26336 1 358 . 1 . 1 35 35 ASN HB2 H 1 3.0600 0.02 . 2 . . . . . 59 ASN HB2 . 26336 1 359 . 1 . 1 35 35 ASN HB3 H 1 2.3800 0.02 . 2 . . . . . 59 ASN HB3 . 26336 1 360 . 1 . 1 35 35 ASN HD21 H 1 6.6700 0.02 . 2 . . . . . 59 ASN HD21 . 26336 1 361 . 1 . 1 35 35 ASN HD22 H 1 7.3700 0.02 . 2 . . . . . 59 ASN HD22 . 26336 1 362 . 1 . 1 35 35 ASN C C 13 173.9200 0.3 . 1 . . . . . 59 ASN C . 26336 1 363 . 1 . 1 35 35 ASN CA C 13 53.7200 0.3 . 1 . . . . . 59 ASN CA . 26336 1 364 . 1 . 1 35 35 ASN CB C 13 37.0300 0.3 . 1 . . . . . 59 ASN CB . 26336 1 365 . 1 . 1 35 35 ASN N N 15 120.3100 0.3 . 1 . . . . . 59 ASN N . 26336 1 366 . 1 . 1 35 35 ASN ND2 N 15 110.6400 0.3 . 1 . . . . . 59 ASN ND2 . 26336 1 367 . 1 . 1 36 36 ILE H H 1 6.8400 0.02 . 1 . . . . . 60 ILE HN . 26336 1 368 . 1 . 1 36 36 ILE HA H 1 4.4100 0.02 . 1 . . . . . 60 ILE HA . 26336 1 369 . 1 . 1 36 36 ILE HB H 1 1.8200 0.02 . 1 . . . . . 60 ILE HB . 26336 1 370 . 1 . 1 36 36 ILE HG12 H 1 1.0570 0.02 . 2 . . . . . 60 ILE HG12 . 26336 1 371 . 1 . 1 36 36 ILE HG13 H 1 1.3800 0.02 . 2 . . . . . 60 ILE HG13 . 26336 1 372 . 1 . 1 36 36 ILE HG21 H 1 0.7100 0.02 . 1 . . . . . 60 ILE HG2# . 26336 1 373 . 1 . 1 36 36 ILE HG22 H 1 0.7100 0.02 . 1 . . . . . 60 ILE HG2# . 26336 1 374 . 1 . 1 36 36 ILE HG23 H 1 0.7100 0.02 . 1 . . . . . 60 ILE HG2# . 26336 1 375 . 1 . 1 36 36 ILE C C 13 175.9700 0.3 . 1 . . . . . 60 ILE C . 26336 1 376 . 1 . 1 36 36 ILE CA C 13 57.7400 0.3 . 1 . . . . . 60 ILE CA . 26336 1 377 . 1 . 1 36 36 ILE CB C 13 35.8600 0.3 . 1 . . . . . 60 ILE CB . 26336 1 378 . 1 . 1 36 36 ILE CG1 C 13 26.7500 0.3 . 1 . . . . . 60 ILE CG1 . 26336 1 379 . 1 . 1 36 36 ILE CG2 C 13 16.7800 0.3 . 1 . . . . . 60 ILE CG2 . 26336 1 380 . 1 . 1 36 36 ILE N N 15 116.0300 0.3 . 1 . . . . . 60 ILE N . 26336 1 381 . 1 . 1 37 37 ASP H H 1 9.2100 0.02 . 1 . . . . . 61 ASP HN . 26336 1 382 . 1 . 1 37 37 ASP HA H 1 4.6800 0.02 . 1 . . . . . 61 ASP HA . 26336 1 383 . 1 . 1 37 37 ASP HB2 H 1 2.9000 0.02 . 2 . . . . . 61 ASP HB2 . 26336 1 384 . 1 . 1 37 37 ASP HB3 H 1 2.6500 0.02 . 2 . . . . . 61 ASP HB3 . 26336 1 385 . 1 . 1 37 37 ASP CA C 13 52.2100 0.3 . 1 . . . . . 61 ASP CA . 26336 1 386 . 1 . 1 37 37 ASP CB C 13 41.9900 0.3 . 1 . . . . . 61 ASP CB . 26336 1 387 . 1 . 1 37 37 ASP N N 15 120.7300 0.3 . 1 . . . . . 61 ASP N . 26336 1 388 . 1 . 1 38 38 PRO HA H 1 4.4400 0.02 . 1 . . . . . 62 PRO HA . 26336 1 389 . 1 . 1 38 38 PRO HB2 H 1 2.3000 0.02 . 2 . . . . . 62 PRO HB2 . 26336 1 390 . 1 . 1 38 38 PRO HB3 H 1 1.9800 0.02 . 2 . . . . . 62 PRO HB3 . 26336 1 391 . 1 . 1 38 38 PRO HD3 H 1 3.6400 0.02 . 2 . . . . . 62 PRO HD3 . 26336 1 392 . 1 . 1 38 38 PRO HG2 H 1 2.0300 0.02 . 2 . . . . . 62 PRO HG2 . 26336 1 393 . 1 . 1 38 38 PRO C C 13 175.6200 0.3 . 1 . . . . . 62 PRO C . 26336 1 394 . 1 . 1 38 38 PRO CA C 13 63.2200 0.3 . 1 . . . . . 62 PRO CA . 26336 1 395 . 1 . 1 38 38 PRO CB C 13 31.7300 0.3 . 1 . . . . . 62 PRO CB . 26336 1 396 . 1 . 1 38 38 PRO CD C 13 50.3800 0.3 . 1 . . . . . 62 PRO CD . 26336 1 397 . 1 . 1 38 38 PRO CG C 13 27.1400 0.3 . 1 . . . . . 62 PRO CG . 26336 1 398 . 1 . 1 39 39 GLU H H 1 8.2800 0.02 . 1 . . . . . 63 GLU HN . 26336 1 399 . 1 . 1 39 39 GLU HA H 1 4.1400 0.02 . 1 . . . . . 63 GLU HA . 26336 1 400 . 1 . 1 39 39 GLU HB2 H 1 2.2130 0.02 . 2 . . . . . 63 GLU HB2 . 26336 1 401 . 1 . 1 39 39 GLU HB3 H 1 1.8600 0.02 . 2 . . . . . 63 GLU HB3 . 26336 1 402 . 1 . 1 39 39 GLU HG2 H 1 2.3100 0.02 . 2 . . . . . 63 GLU HG2 . 26336 1 403 . 1 . 1 39 39 GLU C C 13 176.7800 0.3 . 1 . . . . . 63 GLU C . 26336 1 404 . 1 . 1 39 39 GLU CA C 13 55.9500 0.3 . 1 . . . . . 63 GLU CA . 26336 1 405 . 1 . 1 39 39 GLU CB C 13 29.1700 0.3 . 1 . . . . . 63 GLU CB . 26336 1 406 . 1 . 1 39 39 GLU CG C 13 37.4800 0.3 . 1 . . . . . 63 GLU CG . 26336 1 407 . 1 . 1 39 39 GLU N N 15 114.5900 0.3 . 1 . . . . . 63 GLU N . 26336 1 408 . 1 . 1 40 40 ASP H H 1 7.9900 0.02 . 1 . . . . . 64 ASP HN . 26336 1 409 . 1 . 1 40 40 ASP HA H 1 4.6800 0.02 . 1 . . . . . 64 ASP HA . 26336 1 410 . 1 . 1 40 40 ASP HB2 H 1 3.3400 0.02 . 2 . . . . . 64 ASP HB2 . 26336 1 411 . 1 . 1 40 40 ASP HB3 H 1 2.4700 0.02 . 2 . . . . . 64 ASP HB3 . 26336 1 412 . 1 . 1 40 40 ASP C C 13 175.7100 0.3 . 1 . . . . . 64 ASP C . 26336 1 413 . 1 . 1 40 40 ASP CA C 13 51.6900 0.3 . 1 . . . . . 64 ASP CA . 26336 1 414 . 1 . 1 40 40 ASP CB C 13 38.9800 0.3 . 1 . . . . . 64 ASP CB . 26336 1 415 . 1 . 1 40 40 ASP N N 15 121.5700 0.3 . 1 . . . . . 64 ASP N . 26336 1 416 . 1 . 1 41 41 HIS H H 1 7.7100 0.02 . 1 . . . . . 65 HIS HN . 26336 1 417 . 1 . 1 41 41 HIS HA H 1 4.2100 0.02 . 1 . . . . . 65 HIS HA . 26336 1 418 . 1 . 1 41 41 HIS HB2 H 1 3.2100 0.02 . 2 . . . . . 65 HIS HB2 . 26336 1 419 . 1 . 1 41 41 HIS HB3 H 1 3.1500 0.02 . 2 . . . . . 65 HIS HB3 . 26336 1 420 . 1 . 1 41 41 HIS HD2 H 1 7.2120 0.02 . 1 . . . . . 65 HIS HD2 . 26336 1 421 . 1 . 1 41 41 HIS C C 13 178.1100 0.3 . 1 . . . . . 65 HIS C . 26336 1 422 . 1 . 1 41 41 HIS CA C 13 59.2600 0.3 . 1 . . . . . 65 HIS CA . 26336 1 423 . 1 . 1 41 41 HIS CB C 13 30.4900 0.3 . 1 . . . . . 65 HIS CB . 26336 1 424 . 1 . 1 41 41 HIS N N 15 122.4900 0.3 . 1 . . . . . 65 HIS N . 26336 1 425 . 1 . 1 42 42 GLU H H 1 8.7000 0.02 . 1 . . . . . 66 GLU HN . 26336 1 426 . 1 . 1 42 42 GLU HA H 1 4.0900 0.02 . 1 . . . . . 66 GLU HA . 26336 1 427 . 1 . 1 42 42 GLU HB2 H 1 2.0500 0.02 . 2 . . . . . 66 GLU HB2 . 26336 1 428 . 1 . 1 42 42 GLU HG2 H 1 2.3200 0.02 . 2 . . . . . 66 GLU HG2 . 26336 1 429 . 1 . 1 42 42 GLU C C 13 179.1600 0.3 . 1 . . . . . 66 GLU C . 26336 1 430 . 1 . 1 42 42 GLU CA C 13 59.2300 0.3 . 1 . . . . . 66 GLU CA . 26336 1 431 . 1 . 1 42 42 GLU CB C 13 29.1900 0.3 . 1 . . . . . 66 GLU CB . 26336 1 432 . 1 . 1 42 42 GLU CG C 13 36.1800 0.3 . 1 . . . . . 66 GLU CG . 26336 1 433 . 1 . 1 42 42 GLU N N 15 118.8800 0.3 . 1 . . . . . 66 GLU N . 26336 1 434 . 1 . 1 43 43 ARG H H 1 7.4350 0.02 . 1 . . . . . 67 ARG HN . 26336 1 435 . 1 . 1 43 43 ARG HA H 1 4.1300 0.02 . 1 . . . . . 67 ARG HA . 26336 1 436 . 1 . 1 43 43 ARG HB2 H 1 1.9000 0.02 . 2 . . . . . 67 ARG HB2 . 26336 1 437 . 1 . 1 43 43 ARG HB3 H 1 1.7900 0.02 . 2 . . . . . 67 ARG HB3 . 26336 1 438 . 1 . 1 43 43 ARG HD2 H 1 3.2500 0.02 . 2 . . . . . 67 ARG HD2 . 26336 1 439 . 1 . 1 43 43 ARG HG2 H 1 1.6600 0.02 . 2 . . . . . 67 ARG HG2 . 26336 1 440 . 1 . 1 43 43 ARG C C 13 178.6700 0.3 . 1 . . . . . 67 ARG C . 26336 1 441 . 1 . 1 43 43 ARG CA C 13 58.1600 0.3 . 1 . . . . . 67 ARG CA . 26336 1 442 . 1 . 1 43 43 ARG CB C 13 30.1700 0.3 . 1 . . . . . 67 ARG CB . 26336 1 443 . 1 . 1 43 43 ARG CD C 13 43.2500 0.3 . 1 . . . . . 67 ARG CD . 26336 1 444 . 1 . 1 43 43 ARG CG C 13 27.2000 0.3 . 1 . . . . . 67 ARG CG . 26336 1 445 . 1 . 1 43 43 ARG N N 15 121.4900 0.3 . 1 . . . . . 67 ARG N . 26336 1 446 . 1 . 1 44 44 ILE H H 1 8.1450 0.02 . 1 . . . . . 68 ILE HN . 26336 1 447 . 1 . 1 44 44 ILE HA H 1 3.4500 0.02 . 1 . . . . . 68 ILE HA . 26336 1 448 . 1 . 1 44 44 ILE HB H 1 1.8900 0.02 . 1 . . . . . 68 ILE HB . 26336 1 449 . 1 . 1 44 44 ILE HD11 H 1 0.7700 0.02 . 1 . . . . . 68 ILE HD1# . 26336 1 450 . 1 . 1 44 44 ILE HD12 H 1 0.7700 0.02 . 1 . . . . . 68 ILE HD1# . 26336 1 451 . 1 . 1 44 44 ILE HD13 H 1 0.7700 0.02 . 1 . . . . . 68 ILE HD1# . 26336 1 452 . 1 . 1 44 44 ILE HG12 H 1 1.5300 0.02 . 2 . . . . . 68 ILE HG12 . 26336 1 453 . 1 . 1 44 44 ILE HG21 H 1 0.8000 0.02 . 1 . . . . . 68 ILE HG2# . 26336 1 454 . 1 . 1 44 44 ILE HG22 H 1 0.8000 0.02 . 1 . . . . . 68 ILE HG2# . 26336 1 455 . 1 . 1 44 44 ILE HG23 H 1 0.8000 0.02 . 1 . . . . . 68 ILE HG2# . 26336 1 456 . 1 . 1 44 44 ILE C C 13 177.7700 0.3 . 1 . . . . . 68 ILE C . 26336 1 457 . 1 . 1 44 44 ILE CA C 13 65.1700 0.3 . 1 . . . . . 68 ILE CA . 26336 1 458 . 1 . 1 44 44 ILE CB C 13 36.9800 0.3 . 1 . . . . . 68 ILE CB . 26336 1 459 . 1 . 1 44 44 ILE CD1 C 13 13.3600 0.3 . 1 . . . . . 68 ILE CD1 . 26336 1 460 . 1 . 1 44 44 ILE CG1 C 13 29.6800 0.3 . 1 . . . . . 68 ILE CG1 . 26336 1 461 . 1 . 1 44 44 ILE CG2 C 13 17.4100 0.3 . 1 . . . . . 68 ILE CG2 . 26336 1 462 . 1 . 1 44 44 ILE N N 15 119.0300 0.3 . 1 . . . . . 68 ILE N . 26336 1 463 . 1 . 1 45 45 ARG H H 1 8.2300 0.02 . 1 . . . . . 69 ARG HN . 26336 1 464 . 1 . 1 45 45 ARG HA H 1 4.1500 0.02 . 1 . . . . . 69 ARG HA . 26336 1 465 . 1 . 1 45 45 ARG HB2 H 1 1.9690 0.02 . 2 . . . . . 69 ARG HB2 . 26336 1 466 . 1 . 1 45 45 ARG HB3 H 1 1.9030 0.02 . 2 . . . . . 69 ARG HB3 . 26336 1 467 . 1 . 1 45 45 ARG HD2 H 1 3.2500 0.02 . 2 . . . . . 69 ARG HD2 . 26336 1 468 . 1 . 1 45 45 ARG HG2 H 1 1.6850 0.02 . 2 . . . . . 69 ARG HG2 . 26336 1 469 . 1 . 1 45 45 ARG HG3 H 1 1.8290 0.02 . 2 . . . . . 69 ARG HG3 . 26336 1 470 . 1 . 1 45 45 ARG C C 13 178.9700 0.3 . 1 . . . . . 69 ARG C . 26336 1 471 . 1 . 1 45 45 ARG CA C 13 59.3200 0.3 . 1 . . . . . 69 ARG CA . 26336 1 472 . 1 . 1 45 45 ARG CB C 13 29.9800 0.3 . 1 . . . . . 69 ARG CB . 26336 1 473 . 1 . 1 45 45 ARG CD C 13 43.4600 0.3 . 1 . . . . . 69 ARG CD . 26336 1 474 . 1 . 1 45 45 ARG CG C 13 27.5000 0.3 . 1 . . . . . 69 ARG CG . 26336 1 475 . 1 . 1 45 45 ARG N N 15 118.9800 0.3 . 1 . . . . . 69 ARG N . 26336 1 476 . 1 . 1 46 46 ALA H H 1 7.5450 0.02 . 1 . . . . . 70 ALA HN . 26336 1 477 . 1 . 1 46 46 ALA HA H 1 4.1900 0.02 . 1 . . . . . 70 ALA HA . 26336 1 478 . 1 . 1 46 46 ALA HB1 H 1 1.6200 0.02 . 1 . . . . . 70 ALA HB# . 26336 1 479 . 1 . 1 46 46 ALA HB2 H 1 1.6200 0.02 . 1 . . . . . 70 ALA HB# . 26336 1 480 . 1 . 1 46 46 ALA HB3 H 1 1.6200 0.02 . 1 . . . . . 70 ALA HB# . 26336 1 481 . 1 . 1 46 46 ALA C C 13 180.3600 0.3 . 1 . . . . . 70 ALA C . 26336 1 482 . 1 . 1 46 46 ALA CA C 13 55.3700 0.3 . 1 . . . . . 70 ALA CA . 26336 1 483 . 1 . 1 46 46 ALA CB C 13 17.9900 0.3 . 1 . . . . . 70 ALA CB . 26336 1 484 . 1 . 1 46 46 ALA N N 15 121.1900 0.3 . 1 . . . . . 70 ALA N . 26336 1 485 . 1 . 1 47 47 LEU H H 1 8.2020 0.02 . 1 . . . . . 71 LEU HN . 26336 1 486 . 1 . 1 47 47 LEU HA H 1 4.1800 0.02 . 1 . . . . . 71 LEU HA . 26336 1 487 . 1 . 1 47 47 LEU HB2 H 1 2.0900 0.02 . 2 . . . . . 71 LEU HB2 . 26336 1 488 . 1 . 1 47 47 LEU HB3 H 1 1.2700 0.02 . 2 . . . . . 71 LEU HB3 . 26336 1 489 . 1 . 1 47 47 LEU HD11 H 1 0.9800 0.02 . 2 . . . . . 71 LEU HD1# . 26336 1 490 . 1 . 1 47 47 LEU HD12 H 1 0.9800 0.02 . 2 . . . . . 71 LEU HD1# . 26336 1 491 . 1 . 1 47 47 LEU HD13 H 1 0.9800 0.02 . 2 . . . . . 71 LEU HD1# . 26336 1 492 . 1 . 1 47 47 LEU HG H 1 0.7970 0.02 . 1 . . . . . 71 LEU HG . 26336 1 493 . 1 . 1 47 47 LEU C C 13 179.9700 0.3 . 1 . . . . . 71 LEU C . 26336 1 494 . 1 . 1 47 47 LEU CA C 13 57.0100 0.3 . 1 . . . . . 71 LEU CA . 26336 1 495 . 1 . 1 47 47 LEU CB C 13 42.1100 0.3 . 1 . . . . . 71 LEU CB . 26336 1 496 . 1 . 1 47 47 LEU CD1 C 13 23.9000 0.3 . 2 . . . . . 71 LEU CD1 . 26336 1 497 . 1 . 1 47 47 LEU CD2 C 13 23.7100 0.3 . 2 . . . . . 71 LEU CD2 . 26336 1 498 . 1 . 1 47 47 LEU CG C 13 26.2900 0.3 . 1 . . . . . 71 LEU CG . 26336 1 499 . 1 . 1 47 47 LEU N N 15 119.6700 0.3 . 1 . . . . . 71 LEU N . 26336 1 500 . 1 . 1 48 48 GLN H H 1 8.4960 0.02 . 1 . . . . . 72 GLN HN . 26336 1 501 . 1 . 1 48 48 GLN HA H 1 4.0700 0.02 . 1 . . . . . 72 GLN HA . 26336 1 502 . 1 . 1 48 48 GLN HB2 H 1 2.4200 0.02 . 2 . . . . . 72 GLN HB2 . 26336 1 503 . 1 . 1 48 48 GLN HE21 H 1 6.9000 0.02 . 2 . . . . . 72 GLN HE21 . 26336 1 504 . 1 . 1 48 48 GLN HE22 H 1 7.5300 0.02 . 2 . . . . . 72 GLN HE22 . 26336 1 505 . 1 . 1 48 48 GLN HG2 H 1 2.7600 0.02 . 2 . . . . . 72 GLN HG2 . 26336 1 506 . 1 . 1 48 48 GLN HG3 H 1 2.6000 0.02 . 2 . . . . . 72 GLN HG3 . 26336 1 507 . 1 . 1 48 48 GLN C C 13 178.1400 0.3 . 1 . . . . . 72 GLN C . 26336 1 508 . 1 . 1 48 48 GLN CA C 13 58.2400 0.3 . 1 . . . . . 72 GLN CA . 26336 1 509 . 1 . 1 48 48 GLN CB C 13 28.3300 0.3 . 1 . . . . . 72 GLN CB . 26336 1 510 . 1 . 1 48 48 GLN CG C 13 34.4700 0.3 . 1 . . . . . 72 GLN CG . 26336 1 511 . 1 . 1 48 48 GLN N N 15 117.8700 0.3 . 1 . . . . . 72 GLN N . 26336 1 512 . 1 . 1 48 48 GLN NE2 N 15 112.8600 0.3 . 1 . . . . . 72 GLN NE2 . 26336 1 513 . 1 . 1 49 49 ARG H H 1 8.0800 0.02 . 1 . . . . . 73 ARG HN . 26336 1 514 . 1 . 1 49 49 ARG HA H 1 4.2640 0.02 . 1 . . . . . 73 ARG HA . 26336 1 515 . 1 . 1 49 49 ARG HB2 H 1 1.9500 0.02 . 2 . . . . . 73 ARG HB2 . 26336 1 516 . 1 . 1 49 49 ARG HB3 H 1 1.8700 0.02 . 2 . . . . . 73 ARG HB3 . 26336 1 517 . 1 . 1 49 49 ARG HD2 H 1 3.2500 0.02 . 2 . . . . . 73 ARG HD2 . 26336 1 518 . 1 . 1 49 49 ARG HD3 H 1 3.2300 0.02 . 2 . . . . . 73 ARG HD3 . 26336 1 519 . 1 . 1 49 49 ARG HG2 H 1 1.8160 0.02 . 2 . . . . . 73 ARG HG2 . 26336 1 520 . 1 . 1 49 49 ARG HG3 H 1 1.6970 0.02 . 2 . . . . . 73 ARG HG3 . 26336 1 521 . 1 . 1 49 49 ARG C C 13 177.9300 0.3 . 1 . . . . . 73 ARG C . 26336 1 522 . 1 . 1 49 49 ARG CA C 13 58.5000 0.3 . 1 . . . . . 73 ARG CA . 26336 1 523 . 1 . 1 49 49 ARG CB C 13 31.0700 0.3 . 1 . . . . . 73 ARG CB . 26336 1 524 . 1 . 1 49 49 ARG CD C 13 43.5100 0.3 . 1 . . . . . 73 ARG CD . 26336 1 525 . 1 . 1 49 49 ARG CG C 13 27.3600 0.3 . 1 . . . . . 73 ARG CG . 26336 1 526 . 1 . 1 49 49 ARG N N 15 117.0200 0.3 . 1 . . . . . 73 ARG N . 26336 1 527 . 1 . 1 50 50 ASN H H 1 8.4600 0.02 . 1 . . . . . 74 ASN HN . 26336 1 528 . 1 . 1 50 50 ASN HA H 1 4.9740 0.02 . 1 . . . . . 74 ASN HA . 26336 1 529 . 1 . 1 50 50 ASN HB2 H 1 2.9970 0.02 . 2 . . . . . 74 ASN HB2 . 26336 1 530 . 1 . 1 50 50 ASN HB3 H 1 2.9330 0.02 . 2 . . . . . 74 ASN HB3 . 26336 1 531 . 1 . 1 50 50 ASN C C 13 175.9900 0.3 . 1 . . . . . 74 ASN C . 26336 1 532 . 1 . 1 50 50 ASN CA C 13 53.5200 0.3 . 1 . . . . . 74 ASN CA . 26336 1 533 . 1 . 1 50 50 ASN CB C 13 40.5200 0.3 . 1 . . . . . 74 ASN CB . 26336 1 534 . 1 . 1 50 50 ASN N N 15 113.7100 0.3 . 1 . . . . . 74 ASN N . 26336 1 535 . 1 . 1 51 51 GLY H H 1 7.6800 0.02 . 1 . . . . . 75 GLY HN . 26336 1 536 . 1 . 1 51 51 GLY HA2 H 1 4.3930 0.02 . 2 . . . . . 75 GLY HA2 . 26336 1 537 . 1 . 1 51 51 GLY HA3 H 1 3.8790 0.02 . 2 . . . . . 75 GLY HA3 . 26336 1 538 . 1 . 1 51 51 GLY C C 13 172.0700 0.3 . 1 . . . . . 75 GLY C . 26336 1 539 . 1 . 1 51 51 GLY CA C 13 43.6100 0.3 . 1 . . . . . 75 GLY CA . 26336 1 540 . 1 . 1 51 51 GLY N N 15 109.8700 0.3 . 1 . . . . . 75 GLY N . 26336 1 541 . 1 . 1 52 52 VAL H H 1 8.4500 0.02 . 1 . . . . . 76 VAL HN . 26336 1 542 . 1 . 1 52 52 VAL HA H 1 4.2540 0.02 . 1 . . . . . 76 VAL HA . 26336 1 543 . 1 . 1 52 52 VAL HB H 1 2.0830 0.02 . 1 . . . . . 76 VAL HB . 26336 1 544 . 1 . 1 52 52 VAL HG11 H 1 0.9300 0.02 . 2 . . . . . 76 VAL HG1# . 26336 1 545 . 1 . 1 52 52 VAL HG12 H 1 0.9300 0.02 . 2 . . . . . 76 VAL HG1# . 26336 1 546 . 1 . 1 52 52 VAL HG13 H 1 0.9300 0.02 . 2 . . . . . 76 VAL HG1# . 26336 1 547 . 1 . 1 52 52 VAL HG21 H 1 1.0530 0.02 . 2 . . . . . 76 VAL HG2# . 26336 1 548 . 1 . 1 52 52 VAL HG22 H 1 1.0530 0.02 . 2 . . . . . 76 VAL HG2# . 26336 1 549 . 1 . 1 52 52 VAL HG23 H 1 1.0530 0.02 . 2 . . . . . 76 VAL HG2# . 26336 1 550 . 1 . 1 52 52 VAL C C 13 175.1300 0.3 . 1 . . . . . 76 VAL C . 26336 1 551 . 1 . 1 52 52 VAL CA C 13 60.0300 0.3 . 1 . . . . . 76 VAL CA . 26336 1 552 . 1 . 1 52 52 VAL CB C 13 32.5500 0.3 . 1 . . . . . 76 VAL CB . 26336 1 553 . 1 . 1 52 52 VAL CG1 C 13 22.1600 0.3 . 2 . . . . . 76 VAL CG1 . 26336 1 554 . 1 . 1 52 52 VAL CG2 C 13 22.0400 0.3 . 2 . . . . . 76 VAL CG2 . 26336 1 555 . 1 . 1 52 52 VAL N N 15 119.8900 0.3 . 1 . . . . . 76 VAL N . 26336 1 556 . 1 . 1 53 53 PRO HA H 1 4.7400 0.02 . 1 . . . . . 77 PRO HA . 26336 1 557 . 1 . 1 53 53 PRO HB2 H 1 2.4200 0.02 . 2 . . . . . 77 PRO HB2 . 26336 1 558 . 1 . 1 53 53 PRO HB3 H 1 2.0800 0.02 . 2 . . . . . 77 PRO HB3 . 26336 1 559 . 1 . 1 53 53 PRO HD2 H 1 4.0700 0.02 . 2 . . . . . 77 PRO HD2 . 26336 1 560 . 1 . 1 53 53 PRO HG2 H 1 2.1200 0.02 . 2 . . . . . 77 PRO HG2 . 26336 1 561 . 1 . 1 53 53 PRO CA C 13 62.5700 0.3 . 1 . . . . . 77 PRO CA . 26336 1 562 . 1 . 1 53 53 PRO CB C 13 33.0000 0.3 . 1 . . . . . 77 PRO CB . 26336 1 563 . 1 . 1 53 53 PRO CD C 13 50.8200 0.3 . 1 . . . . . 77 PRO CD . 26336 1 564 . 1 . 1 53 53 PRO CG C 13 27.4500 0.3 . 1 . . . . . 77 PRO CG . 26336 1 565 . 1 . 1 54 54 SER H H 1 8.8900 0.02 . 1 . . . . . 78 SER HN . 26336 1 566 . 1 . 1 54 54 SER HA H 1 4.2900 0.02 . 1 . . . . . 78 SER HA . 26336 1 567 . 1 . 1 54 54 SER HB2 H 1 4.0600 0.02 . 2 . . . . . 78 SER HB2 . 26336 1 568 . 1 . 1 54 54 SER HB3 H 1 3.9600 0.02 . 2 . . . . . 78 SER HB3 . 26336 1 569 . 1 . 1 54 54 SER CA C 13 60.3000 0.3 . 1 . . . . . 78 SER CA . 26336 1 570 . 1 . 1 54 54 SER CB C 13 62.6000 0.3 . 1 . . . . . 78 SER CB . 26336 1 571 . 1 . 1 54 54 SER N N 15 115.0400 0.3 . 1 . . . . . 78 SER N . 26336 1 572 . 1 . 1 55 55 THR H H 1 7.0500 0.02 . 1 . . . . . 79 THR HN . 26336 1 573 . 1 . 1 55 55 THR HA H 1 4.1400 0.02 . 1 . . . . . 79 THR HA . 26336 1 574 . 1 . 1 55 55 THR HB H 1 4.4600 0.02 . 1 . . . . . 79 THR HB . 26336 1 575 . 1 . 1 55 55 THR HG21 H 1 1.2800 0.02 . 1 . . . . . 79 THR HG2# . 26336 1 576 . 1 . 1 55 55 THR HG22 H 1 1.2800 0.02 . 1 . . . . . 79 THR HG2# . 26336 1 577 . 1 . 1 55 55 THR HG23 H 1 1.2800 0.02 . 1 . . . . . 79 THR HG2# . 26336 1 578 . 1 . 1 55 55 THR C C 13 174.8100 0.3 . 1 . . . . . 79 THR C . 26336 1 579 . 1 . 1 55 55 THR CA C 13 61.5700 0.3 . 1 . . . . . 79 THR CA . 26336 1 580 . 1 . 1 55 55 THR CB C 13 68.6600 0.3 . 1 . . . . . 79 THR CB . 26336 1 581 . 1 . 1 55 55 THR CG2 C 13 22.4500 0.3 . 1 . . . . . 79 THR CG2 . 26336 1 582 . 1 . 1 55 55 THR N N 15 107.5200 0.3 . 1 . . . . . 79 THR N . 26336 1 583 . 1 . 1 56 56 ILE H H 1 7.5500 0.02 . 1 . . . . . 80 ILE HN . 26336 1 584 . 1 . 1 56 56 ILE HA H 1 4.3800 0.02 . 1 . . . . . 80 ILE HA . 26336 1 585 . 1 . 1 56 56 ILE HB H 1 1.8700 0.02 . 1 . . . . . 80 ILE HB . 26336 1 586 . 1 . 1 56 56 ILE HD11 H 1 0.8900 0.02 . 1 . . . . . 80 ILE HD1# . 26336 1 587 . 1 . 1 56 56 ILE HD12 H 1 0.8900 0.02 . 1 . . . . . 80 ILE HD1# . 26336 1 588 . 1 . 1 56 56 ILE HD13 H 1 0.8900 0.02 . 1 . . . . . 80 ILE HD1# . 26336 1 589 . 1 . 1 56 56 ILE HG12 H 1 1.2100 0.02 . 2 . . . . . 80 ILE HG12 . 26336 1 590 . 1 . 1 56 56 ILE HG13 H 1 1.5200 0.02 . 2 . . . . . 80 ILE HG13 . 26336 1 591 . 1 . 1 56 56 ILE HG21 H 1 0.9300 0.02 . 1 . . . . . 80 ILE HG2# . 26336 1 592 . 1 . 1 56 56 ILE HG22 H 1 0.9300 0.02 . 1 . . . . . 80 ILE HG2# . 26336 1 593 . 1 . 1 56 56 ILE HG23 H 1 0.9300 0.02 . 1 . . . . . 80 ILE HG2# . 26336 1 594 . 1 . 1 56 56 ILE C C 13 174.4200 0.3 . 1 . . . . . 80 ILE C . 26336 1 595 . 1 . 1 56 56 ILE CA C 13 60.3000 0.3 . 1 . . . . . 80 ILE CA . 26336 1 596 . 1 . 1 56 56 ILE CB C 13 37.9100 0.3 . 1 . . . . . 80 ILE CB . 26336 1 597 . 1 . 1 56 56 ILE CD1 C 13 13.5000 0.3 . 1 . . . . . 80 ILE CD1 . 26336 1 598 . 1 . 1 56 56 ILE CG1 C 13 27.3300 0.3 . 1 . . . . . 80 ILE CG1 . 26336 1 599 . 1 . 1 56 56 ILE CG2 C 13 18.4300 0.3 . 1 . . . . . 80 ILE CG2 . 26336 1 600 . 1 . 1 56 56 ILE N N 15 124.1400 0.3 . 1 . . . . . 80 ILE N . 26336 1 601 . 1 . 1 57 57 SER H H 1 8.5900 0.02 . 1 . . . . . 81 SER HN . 26336 1 602 . 1 . 1 57 57 SER HA H 1 4.5200 0.02 . 1 . . . . . 81 SER HA . 26336 1 603 . 1 . 1 57 57 SER HB2 H 1 3.8200 0.02 . 2 . . . . . 81 SER HB2 . 26336 1 604 . 1 . 1 57 57 SER HB3 H 1 3.7600 0.02 . 2 . . . . . 81 SER HB3 . 26336 1 605 . 1 . 1 57 57 SER C C 13 173.4000 0.3 . 1 . . . . . 81 SER C . 26336 1 606 . 1 . 1 57 57 SER CA C 13 58.0900 0.3 . 1 . . . . . 81 SER CA . 26336 1 607 . 1 . 1 57 57 SER CB C 13 64.3700 0.3 . 1 . . . . . 81 SER CB . 26336 1 608 . 1 . 1 57 57 SER N N 15 121.7700 0.3 . 1 . . . . . 81 SER N . 26336 1 609 . 1 . 1 58 58 GLU H H 1 8.4200 0.02 . 1 . . . . . 82 GLU HN . 26336 1 610 . 1 . 1 58 58 GLU HA H 1 4.7240 0.02 . 1 . . . . . 82 GLU HA . 26336 1 611 . 1 . 1 58 58 GLU HB2 H 1 1.8340 0.02 . 2 . . . . . 82 GLU HB2 . 26336 1 612 . 1 . 1 58 58 GLU HG2 H 1 2.3100 0.02 . 2 . . . . . 82 GLU HG2 . 26336 1 613 . 1 . 1 58 58 GLU HG3 H 1 2.1800 0.02 . 2 . . . . . 82 GLU HG3 . 26336 1 614 . 1 . 1 58 58 GLU C C 13 178.0000 0.3 . 1 . . . . . 82 GLU C . 26336 1 615 . 1 . 1 58 58 GLU CA C 13 54.9100 0.3 . 1 . . . . . 82 GLU CA . 26336 1 616 . 1 . 1 58 58 GLU CB C 13 31.8800 0.3 . 1 . . . . . 82 GLU CB . 26336 1 617 . 1 . 1 58 58 GLU CG C 13 37.5200 0.3 . 1 . . . . . 82 GLU CG . 26336 1 618 . 1 . 1 58 58 GLU N N 15 121.4300 0.3 . 1 . . . . . 82 GLU N . 26336 1 619 . 1 . 1 59 59 GLU H H 1 9.1500 0.02 . 1 . . . . . 83 GLU HN . 26336 1 620 . 1 . 1 59 59 GLU HA H 1 4.4800 0.02 . 1 . . . . . 83 GLU HA . 26336 1 621 . 1 . 1 59 59 GLU HB2 H 1 2.2600 0.02 . 2 . . . . . 83 GLU HB2 . 26336 1 622 . 1 . 1 59 59 GLU HB3 H 1 2.0600 0.02 . 2 . . . . . 83 GLU HB3 . 26336 1 623 . 1 . 1 59 59 GLU HG3 H 1 2.2800 0.02 . 2 . . . . . 83 GLU HG3 . 26336 1 624 . 1 . 1 59 59 GLU C C 13 174.0900 0.3 . 1 . . . . . 83 GLU C . 26336 1 625 . 1 . 1 59 59 GLU CA C 13 54.9700 0.3 . 1 . . . . . 83 GLU CA . 26336 1 626 . 1 . 1 59 59 GLU CB C 13 30.6200 0.3 . 1 . . . . . 83 GLU CB . 26336 1 627 . 1 . 1 59 59 GLU CG C 13 35.7500 0.3 . 1 . . . . . 83 GLU CG . 26336 1 628 . 1 . 1 59 59 GLU N N 15 122.0700 0.3 . 1 . . . . . 83 GLU N . 26336 1 629 . 1 . 1 60 60 GLN H H 1 8.3100 0.02 . 1 . . . . . 84 GLN HN . 26336 1 630 . 1 . 1 60 60 GLN HA H 1 4.0400 0.02 . 1 . . . . . 84 GLN HA . 26336 1 631 . 1 . 1 60 60 GLN HB3 H 1 1.4700 0.02 . 2 . . . . . 84 GLN HB3 . 26336 1 632 . 1 . 1 60 60 GLN HE21 H 1 6.9100 0.02 . 2 . . . . . 84 GLN HE21 . 26336 1 633 . 1 . 1 60 60 GLN HE22 H 1 7.5900 0.02 . 2 . . . . . 84 GLN HE22 . 26336 1 634 . 1 . 1 60 60 GLN C C 13 173.9500 0.3 . 1 . . . . . 84 GLN C . 26336 1 635 . 1 . 1 60 60 GLN CA C 13 54.3900 0.3 . 1 . . . . . 84 GLN CA . 26336 1 636 . 1 . 1 60 60 GLN CB C 13 28.0900 0.3 . 1 . . . . . 84 GLN CB . 26336 1 637 . 1 . 1 60 60 GLN N N 15 117.0800 0.3 . 1 . . . . . 84 GLN N . 26336 1 638 . 1 . 1 60 60 GLN NE2 N 15 112.9700 0.3 . 1 . . . . . 84 GLN NE2 . 26336 1 639 . 1 . 1 61 61 PRO HA H 1 4.7180 0.02 . 1 . . . . . 85 PRO HA . 26336 1 640 . 1 . 1 61 61 PRO HB2 H 1 2.2200 0.02 . 2 . . . . . 85 PRO HB2 . 26336 1 641 . 1 . 1 61 61 PRO HB3 H 1 1.8690 0.02 . 2 . . . . . 85 PRO HB3 . 26336 1 642 . 1 . 1 61 61 PRO HD2 H 1 3.7000 0.02 . 2 . . . . . 85 PRO HD2 . 26336 1 643 . 1 . 1 61 61 PRO HG2 H 1 2.0670 0.02 . 2 . . . . . 85 PRO HG2 . 26336 1 644 . 1 . 1 61 61 PRO C C 13 177.1800 0.3 . 1 . . . . . 85 PRO C . 26336 1 645 . 1 . 1 61 61 PRO CA C 13 63.2600 0.3 . 1 . . . . . 85 PRO CA . 26336 1 646 . 1 . 1 61 61 PRO CB C 13 33.1100 0.3 . 1 . . . . . 85 PRO CB . 26336 1 647 . 1 . 1 61 61 PRO CD C 13 50.4800 0.3 . 1 . . . . . 85 PRO CD . 26336 1 648 . 1 . 1 61 61 PRO CG C 13 27.0400 0.3 . 1 . . . . . 85 PRO CG . 26336 1 649 . 1 . 1 62 62 HIS H H 1 9.3170 0.02 . 1 . . . . . 86 HIS HN . 26336 1 650 . 1 . 1 62 62 HIS HA H 1 4.8900 0.02 . 1 . . . . . 86 HIS HA . 26336 1 651 . 1 . 1 62 62 HIS HB2 H 1 3.2100 0.02 . 2 . . . . . 86 HIS HB2 . 26336 1 652 . 1 . 1 62 62 HIS HD2 H 1 7.3000 0.02 . 1 . . . . . 86 HIS HD2 . 26336 1 653 . 1 . 1 62 62 HIS C C 13 174.4600 0.3 . 1 . . . . . 86 HIS C . 26336 1 654 . 1 . 1 62 62 HIS CA C 13 55.1700 0.3 . 1 . . . . . 86 HIS CA . 26336 1 655 . 1 . 1 62 62 HIS CB C 13 31.6400 0.3 . 1 . . . . . 86 HIS CB . 26336 1 656 . 1 . 1 62 62 HIS N N 15 121.3100 0.3 . 1 . . . . . 86 HIS N . 26336 1 657 . 1 . 1 63 63 THR H H 1 8.6200 0.02 . 1 . . . . . 87 THR HN . 26336 1 658 . 1 . 1 63 63 THR HA H 1 5.6700 0.02 . 1 . . . . . 87 THR HA . 26336 1 659 . 1 . 1 63 63 THR HB H 1 4.2800 0.02 . 1 . . . . . 87 THR HB . 26336 1 660 . 1 . 1 63 63 THR HG21 H 1 1.1900 0.02 . 1 . . . . . 87 THR HG2# . 26336 1 661 . 1 . 1 63 63 THR HG22 H 1 1.1900 0.02 . 1 . . . . . 87 THR HG2# . 26336 1 662 . 1 . 1 63 63 THR HG23 H 1 1.1900 0.02 . 1 . . . . . 87 THR HG2# . 26336 1 663 . 1 . 1 63 63 THR C C 13 174.1000 0.3 . 1 . . . . . 87 THR C . 26336 1 664 . 1 . 1 63 63 THR CA C 13 59.7900 0.3 . 1 . . . . . 87 THR CA . 26336 1 665 . 1 . 1 63 63 THR CB C 13 71.3200 0.3 . 1 . . . . . 87 THR CB . 26336 1 666 . 1 . 1 63 63 THR CG2 C 13 21.3900 0.3 . 1 . . . . . 87 THR CG2 . 26336 1 667 . 1 . 1 63 63 THR N N 15 114.5300 0.3 . 1 . . . . . 87 THR N . 26336 1 668 . 1 . 1 64 64 ALA H H 1 9.0160 0.02 . 1 . . . . . 88 ALA HN . 26336 1 669 . 1 . 1 64 64 ALA HA H 1 4.7000 0.02 . 1 . . . . . 88 ALA HA . 26336 1 670 . 1 . 1 64 64 ALA HB1 H 1 1.3340 0.02 . 1 . . . . . 88 ALA HB# . 26336 1 671 . 1 . 1 64 64 ALA HB2 H 1 1.3340 0.02 . 1 . . . . . 88 ALA HB# . 26336 1 672 . 1 . 1 64 64 ALA HB3 H 1 1.3340 0.02 . 1 . . . . . 88 ALA HB# . 26336 1 673 . 1 . 1 64 64 ALA C C 13 174.5200 0.3 . 1 . . . . . 88 ALA C . 26336 1 674 . 1 . 1 64 64 ALA CA C 13 51.2100 0.3 . 1 . . . . . 88 ALA CA . 26336 1 675 . 1 . 1 64 64 ALA CB C 13 23.0900 0.3 . 1 . . . . . 88 ALA CB . 26336 1 676 . 1 . 1 64 64 ALA N N 15 125.1800 0.3 . 1 . . . . . 88 ALA N . 26336 1 677 . 1 . 1 65 65 ARG H H 1 8.5600 0.02 . 1 . . . . . 89 ARG HN . 26336 1 678 . 1 . 1 65 65 ARG HA H 1 5.4500 0.02 . 1 . . . . . 89 ARG HA . 26336 1 679 . 1 . 1 65 65 ARG HB2 H 1 1.8540 0.02 . 2 . . . . . 89 ARG HB2 . 26336 1 680 . 1 . 1 65 65 ARG HB3 H 1 1.7600 0.02 . 2 . . . . . 89 ARG HB3 . 26336 1 681 . 1 . 1 65 65 ARG HD2 H 1 3.1700 0.02 . 2 . . . . . 89 ARG HD2 . 26336 1 682 . 1 . 1 65 65 ARG HG2 H 1 1.4600 0.02 . 2 . . . . . 89 ARG HG2 . 26336 1 683 . 1 . 1 65 65 ARG C C 13 177.4400 0.3 . 1 . . . . . 89 ARG C . 26336 1 684 . 1 . 1 65 65 ARG CA C 13 54.2100 0.3 . 1 . . . . . 89 ARG CA . 26336 1 685 . 1 . 1 65 65 ARG CB C 13 32.7000 0.3 . 1 . . . . . 89 ARG CB . 26336 1 686 . 1 . 1 65 65 ARG CD C 13 43.4100 0.3 . 1 . . . . . 89 ARG CD . 26336 1 687 . 1 . 1 65 65 ARG CG C 13 27.0400 0.3 . 1 . . . . . 89 ARG CG . 26336 1 688 . 1 . 1 65 65 ARG N N 15 121.7800 0.3 . 1 . . . . . 89 ARG N . 26336 1 689 . 1 . 1 66 66 THR H H 1 9.1400 0.02 . 1 . . . . . 90 THR HN . 26336 1 690 . 1 . 1 66 66 THR HA H 1 4.2900 0.02 . 1 . . . . . 90 THR HA . 26336 1 691 . 1 . 1 66 66 THR HB H 1 4.2800 0.02 . 1 . . . . . 90 THR HB . 26336 1 692 . 1 . 1 66 66 THR HG21 H 1 1.1610 0.02 . 1 . . . . . 90 THR HG2# . 26336 1 693 . 1 . 1 66 66 THR HG22 H 1 1.1610 0.02 . 1 . . . . . 90 THR HG2# . 26336 1 694 . 1 . 1 66 66 THR HG23 H 1 1.1610 0.02 . 1 . . . . . 90 THR HG2# . 26336 1 695 . 1 . 1 66 66 THR C C 13 175.1300 0.3 . 1 . . . . . 90 THR C . 26336 1 696 . 1 . 1 66 66 THR CA C 13 61.8900 0.3 . 1 . . . . . 90 THR CA . 26336 1 697 . 1 . 1 66 66 THR CB C 13 69.6800 0.3 . 1 . . . . . 90 THR CB . 26336 1 698 . 1 . 1 66 66 THR CG2 C 13 23.3100 0.3 . 1 . . . . . 90 THR CG2 . 26336 1 699 . 1 . 1 66 66 THR N N 15 117.3100 0.3 . 1 . . . . . 90 THR N . 26336 1 700 . 1 . 1 67 67 ASP H H 1 8.2900 0.02 . 1 . . . . . 91 ASP HN . 26336 1 701 . 1 . 1 67 67 ASP HA H 1 4.3000 0.02 . 1 . . . . . 91 ASP HA . 26336 1 702 . 1 . 1 67 67 ASP C C 13 177.9800 0.3 . 1 . . . . . 91 ASP C . 26336 1 703 . 1 . 1 67 67 ASP CA C 13 52.7300 0.3 . 1 . . . . . 91 ASP CA . 26336 1 704 . 1 . 1 67 67 ASP CB C 13 42.1700 0.3 . 1 . . . . . 91 ASP CB . 26336 1 705 . 1 . 1 67 67 ASP N N 15 122.3200 0.3 . 1 . . . . . 91 ASP N . 26336 1 706 . 1 . 1 69 69 THR H H 1 8.4500 0.02 . 1 . . . . . 93 THR HN . 26336 1 707 . 1 . 1 69 69 THR HA H 1 4.4700 0.02 . 1 . . . . . 93 THR HA . 26336 1 708 . 1 . 1 69 69 THR HB H 1 4.1900 0.02 . 1 . . . . . 93 THR HB . 26336 1 709 . 1 . 1 69 69 THR HG21 H 1 1.2400 0.02 . 1 . . . . . 93 THR HG2# . 26336 1 710 . 1 . 1 69 69 THR HG22 H 1 1.2400 0.02 . 1 . . . . . 93 THR HG2# . 26336 1 711 . 1 . 1 69 69 THR HG23 H 1 1.2400 0.02 . 1 . . . . . 93 THR HG2# . 26336 1 712 . 1 . 1 69 69 THR C C 13 175.4600 0.3 . 1 . . . . . 93 THR C . 26336 1 713 . 1 . 1 69 69 THR CA C 13 61.6400 0.3 . 1 . . . . . 93 THR CA . 26336 1 714 . 1 . 1 69 69 THR CB C 13 69.7300 0.3 . 1 . . . . . 93 THR CB . 26336 1 715 . 1 . 1 69 69 THR CG2 C 13 21.6100 0.3 . 1 . . . . . 93 THR CG2 . 26336 1 716 . 1 . 1 69 69 THR N N 15 107.6100 0.3 . 1 . . . . . 93 THR N . 26336 1 717 . 1 . 1 70 70 GLY H H 1 8.3800 0.02 . 1 . . . . . 94 GLY HN . 26336 1 718 . 1 . 1 70 70 GLY HA2 H 1 4.3700 0.02 . 2 . . . . . 94 GLY HA2 . 26336 1 719 . 1 . 1 70 70 GLY HA3 H 1 3.7500 0.02 . 2 . . . . . 94 GLY HA3 . 26336 1 720 . 1 . 1 70 70 GLY C C 13 172.5700 0.3 . 1 . . . . . 94 GLY C . 26336 1 721 . 1 . 1 70 70 GLY CA C 13 45.5100 0.3 . 1 . . . . . 94 GLY CA . 26336 1 722 . 1 . 1 70 70 GLY N N 15 109.4400 0.3 . 1 . . . . . 94 GLY N . 26336 1 723 . 1 . 1 71 71 THR H H 1 7.7000 0.02 . 1 . . . . . 95 THR HN . 26336 1 724 . 1 . 1 71 71 THR HA H 1 5.7300 0.02 . 1 . . . . . 95 THR HA . 26336 1 725 . 1 . 1 71 71 THR HB H 1 3.8600 0.02 . 1 . . . . . 95 THR HB . 26336 1 726 . 1 . 1 71 71 THR HG21 H 1 1.0310 0.02 . 1 . . . . . 95 THR HG2# . 26336 1 727 . 1 . 1 71 71 THR HG22 H 1 1.0310 0.02 . 1 . . . . . 95 THR HG2# . 26336 1 728 . 1 . 1 71 71 THR HG23 H 1 1.0310 0.02 . 1 . . . . . 95 THR HG2# . 26336 1 729 . 1 . 1 71 71 THR C C 13 174.2900 0.3 . 1 . . . . . 95 THR C . 26336 1 730 . 1 . 1 71 71 THR CA C 13 60.4200 0.3 . 1 . . . . . 95 THR CA . 26336 1 731 . 1 . 1 71 71 THR CB C 13 71.5100 0.3 . 1 . . . . . 95 THR CB . 26336 1 732 . 1 . 1 71 71 THR CG2 C 13 21.4500 0.3 . 1 . . . . . 95 THR CG2 . 26336 1 733 . 1 . 1 71 71 THR N N 15 111.6900 0.3 . 1 . . . . . 95 THR N . 26336 1 734 . 1 . 1 72 72 ALA H H 1 9.1100 0.02 . 1 . . . . . 96 ALA HN . 26336 1 735 . 1 . 1 72 72 ALA HA H 1 4.8100 0.02 . 1 . . . . . 96 ALA HA . 26336 1 736 . 1 . 1 72 72 ALA HB1 H 1 1.1000 0.02 . 1 . . . . . 96 ALA HB# . 26336 1 737 . 1 . 1 72 72 ALA HB2 H 1 1.1000 0.02 . 1 . . . . . 96 ALA HB# . 26336 1 738 . 1 . 1 72 72 ALA HB3 H 1 1.1000 0.02 . 1 . . . . . 96 ALA HB# . 26336 1 739 . 1 . 1 72 72 ALA C C 13 174.9500 0.3 . 1 . . . . . 96 ALA C . 26336 1 740 . 1 . 1 72 72 ALA CA C 13 50.6400 0.3 . 1 . . . . . 96 ALA CA . 26336 1 741 . 1 . 1 72 72 ALA CB C 13 22.1500 0.3 . 1 . . . . . 96 ALA CB . 26336 1 742 . 1 . 1 72 72 ALA N N 15 126.7100 0.3 . 1 . . . . . 96 ALA N . 26336 1 743 . 1 . 1 73 73 THR H H 1 8.4800 0.02 . 1 . . . . . 97 THR HN . 26336 1 744 . 1 . 1 73 73 THR HA H 1 5.1700 0.02 . 1 . . . . . 97 THR HA . 26336 1 745 . 1 . 1 73 73 THR HB H 1 3.8400 0.02 . 1 . . . . . 97 THR HB . 26336 1 746 . 1 . 1 73 73 THR HG21 H 1 1.0200 0.02 . 1 . . . . . 97 THR HG2# . 26336 1 747 . 1 . 1 73 73 THR HG22 H 1 1.0200 0.02 . 1 . . . . . 97 THR HG2# . 26336 1 748 . 1 . 1 73 73 THR HG23 H 1 1.0200 0.02 . 1 . . . . . 97 THR HG2# . 26336 1 749 . 1 . 1 73 73 THR C C 13 173.3500 0.3 . 1 . . . . . 97 THR C . 26336 1 750 . 1 . 1 73 73 THR CA C 13 61.9100 0.3 . 1 . . . . . 97 THR CA . 26336 1 751 . 1 . 1 73 73 THR CB C 13 70.7500 0.3 . 1 . . . . . 97 THR CB . 26336 1 752 . 1 . 1 73 73 THR CG2 C 13 21.2000 0.3 . 1 . . . . . 97 THR CG2 . 26336 1 753 . 1 . 1 73 73 THR N N 15 116.8400 0.3 . 1 . . . . . 97 THR N . 26336 1 754 . 1 . 1 74 74 ILE H H 1 9.2700 0.02 . 1 . . . . . 98 ILE HN . 26336 1 755 . 1 . 1 74 74 ILE HA H 1 4.4400 0.02 . 1 . . . . . 98 ILE HA . 26336 1 756 . 1 . 1 74 74 ILE HB H 1 1.6300 0.02 . 1 . . . . . 98 ILE HB . 26336 1 757 . 1 . 1 74 74 ILE HD11 H 1 0.7100 0.02 . 1 . . . . . 98 ILE HD1# . 26336 1 758 . 1 . 1 74 74 ILE HD12 H 1 0.7100 0.02 . 1 . . . . . 98 ILE HD1# . 26336 1 759 . 1 . 1 74 74 ILE HD13 H 1 0.7100 0.02 . 1 . . . . . 98 ILE HD1# . 26336 1 760 . 1 . 1 74 74 ILE HG12 H 1 1.3100 0.02 . 2 . . . . . 98 ILE HG12 . 26336 1 761 . 1 . 1 74 74 ILE HG13 H 1 1.1200 0.02 . 2 . . . . . 98 ILE HG13 . 26336 1 762 . 1 . 1 74 74 ILE HG21 H 1 0.7960 0.02 . 1 . . . . . 98 ILE HG2# . 26336 1 763 . 1 . 1 74 74 ILE HG22 H 1 0.7960 0.02 . 1 . . . . . 98 ILE HG2# . 26336 1 764 . 1 . 1 74 74 ILE HG23 H 1 0.7960 0.02 . 1 . . . . . 98 ILE HG2# . 26336 1 765 . 1 . 1 74 74 ILE C C 13 174.2100 0.3 . 1 . . . . . 98 ILE C . 26336 1 766 . 1 . 1 74 74 ILE CA C 13 60.6600 0.3 . 1 . . . . . 98 ILE CA . 26336 1 767 . 1 . 1 74 74 ILE CB C 13 40.4200 0.3 . 1 . . . . . 98 ILE CB . 26336 1 768 . 1 . 1 74 74 ILE CD1 C 13 16.9100 0.3 . 1 . . . . . 98 ILE CD1 . 26336 1 769 . 1 . 1 74 74 ILE CG1 C 13 32.5400 0.3 . 1 . . . . . 98 ILE CG1 . 26336 1 770 . 1 . 1 74 74 ILE CG2 C 13 19.5400 0.3 . 1 . . . . . 98 ILE CG2 . 26336 1 771 . 1 . 1 74 74 ILE N N 15 128.1400 0.3 . 1 . . . . . 98 ILE N . 26336 1 772 . 1 . 1 75 75 THR H H 1 8.2940 0.02 . 1 . . . . . 99 THR HN . 26336 1 773 . 1 . 1 75 75 THR HA H 1 4.9100 0.02 . 1 . . . . . 99 THR HA . 26336 1 774 . 1 . 1 75 75 THR HB H 1 4.1600 0.02 . 1 . . . . . 99 THR HB . 26336 1 775 . 1 . 1 75 75 THR HG21 H 1 1.1500 0.02 . 1 . . . . . 99 THR HG2# . 26336 1 776 . 1 . 1 75 75 THR HG22 H 1 1.1500 0.02 . 1 . . . . . 99 THR HG2# . 26336 1 777 . 1 . 1 75 75 THR HG23 H 1 1.1500 0.02 . 1 . . . . . 99 THR HG2# . 26336 1 778 . 1 . 1 75 75 THR C C 13 173.5600 0.3 . 1 . . . . . 99 THR C . 26336 1 779 . 1 . 1 75 75 THR CA C 13 59.7200 0.3 . 1 . . . . . 99 THR CA . 26336 1 780 . 1 . 1 75 75 THR CB C 13 71.1500 0.3 . 1 . . . . . 99 THR CB . 26336 1 781 . 1 . 1 75 75 THR CG2 C 13 21.1400 0.3 . 1 . . . . . 99 THR CG2 . 26336 1 782 . 1 . 1 75 75 THR N N 15 116.5000 0.3 . 1 . . . . . 99 THR N . 26336 1 783 . 1 . 1 76 76 ASN H H 1 8.5900 0.02 . 1 . . . . . 100 ASN HN . 26336 1 784 . 1 . 1 76 76 ASN HA H 1 4.1500 0.02 . 1 . . . . . 100 ASN HA . 26336 1 785 . 1 . 1 76 76 ASN HB2 H 1 3.1200 0.02 . 2 . . . . . 100 ASN HB2 . 26336 1 786 . 1 . 1 76 76 ASN HB3 H 1 2.7500 0.02 . 2 . . . . . 100 ASN HB3 . 26336 1 787 . 1 . 1 76 76 ASN HD21 H 1 6.8100 0.02 . 2 . . . . . 100 ASN HD21 . 26336 1 788 . 1 . 1 76 76 ASN HD22 H 1 7.5500 0.02 . 2 . . . . . 100 ASN HD22 . 26336 1 789 . 1 . 1 76 76 ASN C C 13 174.9300 0.3 . 1 . . . . . 100 ASN C . 26336 1 790 . 1 . 1 76 76 ASN CA C 13 54.0500 0.3 . 1 . . . . . 100 ASN CA . 26336 1 791 . 1 . 1 76 76 ASN CB C 13 36.9800 0.3 . 1 . . . . . 100 ASN CB . 26336 1 792 . 1 . 1 76 76 ASN N N 15 114.0100 0.3 . 1 . . . . . 100 ASN N . 26336 1 793 . 1 . 1 76 76 ASN ND2 N 15 112.1700 0.3 . 1 . . . . . 100 ASN ND2 . 26336 1 794 . 1 . 1 77 77 LEU H H 1 8.8850 0.02 . 1 . . . . . 101 LEU HN . 26336 1 795 . 1 . 1 77 77 LEU HA H 1 4.6190 0.02 . 1 . . . . . 101 LEU HA . 26336 1 796 . 1 . 1 77 77 LEU HB2 H 1 1.3300 0.02 . 2 . . . . . 101 LEU HB2 . 26336 1 797 . 1 . 1 77 77 LEU HB3 H 1 0.9500 0.02 . 2 . . . . . 101 LEU HB3 . 26336 1 798 . 1 . 1 77 77 LEU HD11 H 1 0.1050 0.02 . 2 . . . . . 101 LEU HD1# . 26336 1 799 . 1 . 1 77 77 LEU HD12 H 1 0.1050 0.02 . 2 . . . . . 101 LEU HD1# . 26336 1 800 . 1 . 1 77 77 LEU HD13 H 1 0.1050 0.02 . 2 . . . . . 101 LEU HD1# . 26336 1 801 . 1 . 1 77 77 LEU HD21 H 1 0.1400 0.02 . 2 . . . . . 101 LEU HD2# . 26336 1 802 . 1 . 1 77 77 LEU HD22 H 1 0.1400 0.02 . 2 . . . . . 101 LEU HD2# . 26336 1 803 . 1 . 1 77 77 LEU HD23 H 1 0.1400 0.02 . 2 . . . . . 101 LEU HD2# . 26336 1 804 . 1 . 1 77 77 LEU HG H 1 1.1000 0.02 . 1 . . . . . 101 LEU HG . 26336 1 805 . 1 . 1 77 77 LEU C C 13 175.7100 0.3 . 1 . . . . . 101 LEU C . 26336 1 806 . 1 . 1 77 77 LEU CA C 13 52.6600 0.3 . 1 . . . . . 101 LEU CA . 26336 1 807 . 1 . 1 77 77 LEU CB C 13 41.9100 0.3 . 1 . . . . . 101 LEU CB . 26336 1 808 . 1 . 1 77 77 LEU CD1 C 13 26.0400 0.3 . 2 . . . . . 101 LEU CD1 . 26336 1 809 . 1 . 1 77 77 LEU CD2 C 13 21.4700 0.3 . 2 . . . . . 101 LEU CD2 . 26336 1 810 . 1 . 1 77 77 LEU CG C 13 25.9400 0.3 . 1 . . . . . 101 LEU CG . 26336 1 811 . 1 . 1 77 77 LEU N N 15 120.0300 0.3 . 1 . . . . . 101 LEU N . 26336 1 812 . 1 . 1 79 79 PRO HA H 1 4.4600 0.02 . 1 . . . . . 103 PRO HA . 26336 1 813 . 1 . 1 79 79 PRO HB2 H 1 2.3100 0.02 . 2 . . . . . 103 PRO HB2 . 26336 1 814 . 1 . 1 79 79 PRO HB3 H 1 1.9600 0.02 . 2 . . . . . 103 PRO HB3 . 26336 1 815 . 1 . 1 79 79 PRO HD2 H 1 3.8000 0.02 . 2 . . . . . 103 PRO HD2 . 26336 1 816 . 1 . 1 79 79 PRO HD3 H 1 3.6900 0.02 . 2 . . . . . 103 PRO HD3 . 26336 1 817 . 1 . 1 79 79 PRO HG2 H 1 2.0400 0.02 . 2 . . . . . 103 PRO HG2 . 26336 1 818 . 1 . 1 79 79 PRO C C 13 176.3100 0.3 . 1 . . . . . 103 PRO C . 26336 1 819 . 1 . 1 79 79 PRO CA C 13 63.1300 0.3 . 1 . . . . . 103 PRO CA . 26336 1 820 . 1 . 1 79 79 PRO CB C 13 32.0200 0.3 . 1 . . . . . 103 PRO CB . 26336 1 821 . 1 . 1 79 79 PRO CD C 13 50.4300 0.3 . 1 . . . . . 103 PRO CD . 26336 1 822 . 1 . 1 79 79 PRO CG C 13 27.9800 0.3 . 1 . . . . . 103 PRO CG . 26336 1 823 . 1 . 1 80 80 GLY H H 1 8.7500 0.02 . 1 . . . . . 104 GLY HN . 26336 1 824 . 1 . 1 80 80 GLY HA2 H 1 3.9400 0.02 . 2 . . . . . 104 GLY HA2 . 26336 1 825 . 1 . 1 80 80 GLY HA3 H 1 3.8900 0.02 . 2 . . . . . 104 GLY HA3 . 26336 1 826 . 1 . 1 80 80 GLY C C 13 170.3000 0.3 . 1 . . . . . 104 GLY C . 26336 1 827 . 1 . 1 80 80 GLY CA C 13 44.9800 0.3 . 1 . . . . . 104 GLY CA . 26336 1 828 . 1 . 1 80 80 GLY N N 15 106.4400 0.3 . 1 . . . . . 104 GLY N . 26336 1 829 . 1 . 1 81 81 THR H H 1 9.0930 0.02 . 1 . . . . . 105 THR HN . 26336 1 830 . 1 . 1 81 81 THR HA H 1 4.7600 0.02 . 1 . . . . . 105 THR HA . 26336 1 831 . 1 . 1 81 81 THR HB H 1 3.7900 0.02 . 1 . . . . . 105 THR HB . 26336 1 832 . 1 . 1 81 81 THR HG21 H 1 0.8800 0.02 . 1 . . . . . 105 THR HG2# . 26336 1 833 . 1 . 1 81 81 THR HG22 H 1 0.8800 0.02 . 1 . . . . . 105 THR HG2# . 26336 1 834 . 1 . 1 81 81 THR HG23 H 1 0.8800 0.02 . 1 . . . . . 105 THR HG2# . 26336 1 835 . 1 . 1 81 81 THR C C 13 173.1200 0.3 . 1 . . . . . 105 THR C . 26336 1 836 . 1 . 1 81 81 THR CA C 13 62.7200 0.3 . 1 . . . . . 105 THR CA . 26336 1 837 . 1 . 1 81 81 THR CB C 13 67.9900 0.3 . 1 . . . . . 105 THR CB . 26336 1 838 . 1 . 1 81 81 THR CG2 C 13 22.7300 0.3 . 1 . . . . . 105 THR CG2 . 26336 1 839 . 1 . 1 81 81 THR N N 15 119.7200 0.3 . 1 . . . . . 105 THR N . 26336 1 840 . 1 . 1 82 82 TYR H H 1 9.1500 0.02 . 1 . . . . . 106 TYR HN . 26336 1 841 . 1 . 1 82 82 TYR HA H 1 5.2300 0.02 . 1 . . . . . 106 TYR HA . 26336 1 842 . 1 . 1 82 82 TYR HB2 H 1 2.6000 0.02 . 2 . . . . . 106 TYR HB2 . 26336 1 843 . 1 . 1 82 82 TYR HD1 H 1 6.8310 0.02 . 3 . . . . . 106 TYR HD1 . 26336 1 844 . 1 . 1 82 82 TYR HE1 H 1 6.7210 0.02 . 3 . . . . . 106 TYR HE1 . 26336 1 845 . 1 . 1 82 82 TYR C C 13 174.5200 0.3 . 1 . . . . . 106 TYR C . 26336 1 846 . 1 . 1 82 82 TYR CA C 13 57.0800 0.3 . 1 . . . . . 106 TYR CA . 26336 1 847 . 1 . 1 82 82 TYR CB C 13 41.7900 0.3 . 1 . . . . . 106 TYR CB . 26336 1 848 . 1 . 1 82 82 TYR N N 15 125.3400 0.3 . 1 . . . . . 106 TYR N . 26336 1 849 . 1 . 1 83 83 VAL H H 1 9.3100 0.02 . 1 . . . . . 107 VAL HN . 26336 1 850 . 1 . 1 83 83 VAL HA H 1 5.4600 0.02 . 1 . . . . . 107 VAL HA . 26336 1 851 . 1 . 1 83 83 VAL HB H 1 1.9100 0.02 . 1 . . . . . 107 VAL HB . 26336 1 852 . 1 . 1 83 83 VAL HG11 H 1 1.1140 0.02 . 2 . . . . . 107 VAL HG1# . 26336 1 853 . 1 . 1 83 83 VAL HG12 H 1 1.1140 0.02 . 2 . . . . . 107 VAL HG1# . 26336 1 854 . 1 . 1 83 83 VAL HG13 H 1 1.1140 0.02 . 2 . . . . . 107 VAL HG1# . 26336 1 855 . 1 . 1 83 83 VAL HG21 H 1 1.0400 0.02 . 2 . . . . . 107 VAL HG2# . 26336 1 856 . 1 . 1 83 83 VAL HG22 H 1 1.0400 0.02 . 2 . . . . . 107 VAL HG2# . 26336 1 857 . 1 . 1 83 83 VAL HG23 H 1 1.0400 0.02 . 2 . . . . . 107 VAL HG2# . 26336 1 858 . 1 . 1 83 83 VAL C C 13 172.8000 0.3 . 1 . . . . . 107 VAL C . 26336 1 859 . 1 . 1 83 83 VAL CA C 13 58.6500 0.3 . 1 . . . . . 107 VAL CA . 26336 1 860 . 1 . 1 83 83 VAL CB C 13 34.9800 0.3 . 1 . . . . . 107 VAL CB . 26336 1 861 . 1 . 1 83 83 VAL CG1 C 13 19.7100 0.3 . 2 . . . . . 107 VAL CG1 . 26336 1 862 . 1 . 1 83 83 VAL CG2 C 13 22.0700 0.3 . 2 . . . . . 107 VAL CG2 . 26336 1 863 . 1 . 1 83 83 VAL N N 15 119.3000 0.3 . 1 . . . . . 107 VAL N . 26336 1 864 . 1 . 1 84 84 ILE H H 1 9.0700 0.02 . 1 . . . . . 108 ILE HN . 26336 1 865 . 1 . 1 84 84 ILE HA H 1 5.0600 0.02 . 1 . . . . . 108 ILE HA . 26336 1 866 . 1 . 1 84 84 ILE HB H 1 1.9600 0.02 . 1 . . . . . 108 ILE HB . 26336 1 867 . 1 . 1 84 84 ILE HD11 H 1 0.8200 0.02 . 1 . . . . . 108 ILE HD1# . 26336 1 868 . 1 . 1 84 84 ILE HD12 H 1 0.8200 0.02 . 1 . . . . . 108 ILE HD1# . 26336 1 869 . 1 . 1 84 84 ILE HD13 H 1 0.8200 0.02 . 1 . . . . . 108 ILE HD1# . 26336 1 870 . 1 . 1 84 84 ILE HG12 H 1 1.5300 0.02 . 2 . . . . . 108 ILE HG12 . 26336 1 871 . 1 . 1 84 84 ILE HG13 H 1 1.2000 0.02 . 2 . . . . . 108 ILE HG13 . 26336 1 872 . 1 . 1 84 84 ILE HG21 H 1 0.8570 0.02 . 1 . . . . . 108 ILE HG2# . 26336 1 873 . 1 . 1 84 84 ILE HG22 H 1 0.8570 0.02 . 1 . . . . . 108 ILE HG2# . 26336 1 874 . 1 . 1 84 84 ILE HG23 H 1 0.8570 0.02 . 1 . . . . . 108 ILE HG2# . 26336 1 875 . 1 . 1 84 84 ILE C C 13 174.5900 0.3 . 1 . . . . . 108 ILE C . 26336 1 876 . 1 . 1 84 84 ILE CA C 13 60.5200 0.3 . 1 . . . . . 108 ILE CA . 26336 1 877 . 1 . 1 84 84 ILE CB C 13 39.6500 0.3 . 1 . . . . . 108 ILE CB . 26336 1 878 . 1 . 1 84 84 ILE CD1 C 13 16.2300 0.3 . 1 . . . . . 108 ILE CD1 . 26336 1 879 . 1 . 1 84 84 ILE CG1 C 13 29.9500 0.3 . 1 . . . . . 108 ILE CG1 . 26336 1 880 . 1 . 1 84 84 ILE CG2 C 13 19.3900 0.3 . 1 . . . . . 108 ILE CG2 . 26336 1 881 . 1 . 1 84 84 ILE N N 15 128.2200 0.3 . 1 . . . . . 108 ILE N . 26336 1 882 . 1 . 1 85 85 ARG H H 1 9.2700 0.02 . 1 . . . . . 109 ARG HN . 26336 1 883 . 1 . 1 85 85 ARG HA H 1 5.0100 0.02 . 1 . . . . . 109 ARG HA . 26336 1 884 . 1 . 1 85 85 ARG HB2 H 1 1.7340 0.02 . 2 . . . . . 109 ARG HB2 . 26336 1 885 . 1 . 1 85 85 ARG HB3 H 1 1.6430 0.02 . 2 . . . . . 109 ARG HB3 . 26336 1 886 . 1 . 1 85 85 ARG HD2 H 1 3.0200 0.02 . 2 . . . . . 109 ARG HD2 . 26336 1 887 . 1 . 1 85 85 ARG HD3 H 1 2.9310 0.02 . 2 . . . . . 109 ARG HD3 . 26336 1 888 . 1 . 1 85 85 ARG HE H 1 7.0200 0.02 . 1 . . . . . 109 ARG HE . 26336 1 889 . 1 . 1 85 85 ARG HG2 H 1 1.3400 0.02 . 2 . . . . . 109 ARG HG2 . 26336 1 890 . 1 . 1 85 85 ARG C C 13 173.7500 0.3 . 1 . . . . . 109 ARG C . 26336 1 891 . 1 . 1 85 85 ARG CA C 13 53.6600 0.3 . 1 . . . . . 109 ARG CA . 26336 1 892 . 1 . 1 85 85 ARG CB C 13 33.6800 0.3 . 1 . . . . . 109 ARG CB . 26336 1 893 . 1 . 1 85 85 ARG CD C 13 43.2300 0.3 . 1 . . . . . 109 ARG CD . 26336 1 894 . 1 . 1 85 85 ARG CG C 13 26.3600 0.3 . 1 . . . . . 109 ARG CG . 26336 1 895 . 1 . 1 85 85 ARG N N 15 120.1100 0.3 . 1 . . . . . 109 ARG N . 26336 1 896 . 1 . 1 86 86 ASP H H 1 8.8700 0.02 . 1 . . . . . 110 ASP HN . 26336 1 897 . 1 . 1 86 86 ASP HA H 1 4.5500 0.02 . 1 . . . . . 110 ASP HA . 26336 1 898 . 1 . 1 86 86 ASP HB2 H 1 2.6800 0.02 . 2 . . . . . 110 ASP HB2 . 26336 1 899 . 1 . 1 86 86 ASP HB3 H 1 1.7000 0.02 . 2 . . . . . 110 ASP HB3 . 26336 1 900 . 1 . 1 86 86 ASP C C 13 178.3400 0.3 . 1 . . . . . 110 ASP C . 26336 1 901 . 1 . 1 86 86 ASP CA C 13 53.5500 0.3 . 1 . . . . . 110 ASP CA . 26336 1 902 . 1 . 1 86 86 ASP CB C 13 40.8700 0.3 . 1 . . . . . 110 ASP CB . 26336 1 903 . 1 . 1 86 86 ASP N N 15 123.8600 0.3 . 1 . . . . . 110 ASP N . 26336 1 904 . 1 . 1 87 87 THR H H 1 8.8200 0.02 . 1 . . . . . 111 THR HN . 26336 1 905 . 1 . 1 87 87 THR HA H 1 3.8680 0.02 . 1 . . . . . 111 THR HA . 26336 1 906 . 1 . 1 87 87 THR HB H 1 3.9730 0.02 . 1 . . . . . 111 THR HB . 26336 1 907 . 1 . 1 87 87 THR HG21 H 1 1.2600 0.02 . 1 . . . . . 111 THR HG2# . 26336 1 908 . 1 . 1 87 87 THR HG22 H 1 1.2600 0.02 . 1 . . . . . 111 THR HG2# . 26336 1 909 . 1 . 1 87 87 THR HG23 H 1 1.2600 0.02 . 1 . . . . . 111 THR HG2# . 26336 1 910 . 1 . 1 87 87 THR C C 13 175.5200 0.3 . 1 . . . . . 111 THR C . 26336 1 911 . 1 . 1 87 87 THR CA C 13 65.1500 0.3 . 1 . . . . . 111 THR CA . 26336 1 912 . 1 . 1 87 87 THR CB C 13 69.2500 0.3 . 1 . . . . . 111 THR CB . 26336 1 913 . 1 . 1 87 87 THR CG2 C 13 22.3600 0.3 . 1 . . . . . 111 THR CG2 . 26336 1 914 . 1 . 1 87 87 THR N N 15 126.6100 0.3 . 1 . . . . . 111 THR N . 26336 1 915 . 1 . 1 88 88 ASN H H 1 9.4830 0.02 . 1 . . . . . 112 ASN HN . 26336 1 916 . 1 . 1 88 88 ASN HA H 1 4.5910 0.02 . 1 . . . . . 112 ASN HA . 26336 1 917 . 1 . 1 88 88 ASN HB2 H 1 3.1100 0.02 . 2 . . . . . 112 ASN HB2 . 26336 1 918 . 1 . 1 88 88 ASN HB3 H 1 2.6000 0.02 . 2 . . . . . 112 ASN HB3 . 26336 1 919 . 1 . 1 88 88 ASN HD21 H 1 6.8400 0.02 . 2 . . . . . 112 ASN HD21 . 26336 1 920 . 1 . 1 88 88 ASN HD22 H 1 7.5300 0.02 . 2 . . . . . 112 ASN HD22 . 26336 1 921 . 1 . 1 88 88 ASN C C 13 174.8900 0.3 . 1 . . . . . 112 ASN C . 26336 1 922 . 1 . 1 88 88 ASN CA C 13 52.5600 0.3 . 1 . . . . . 112 ASN CA . 26336 1 923 . 1 . 1 88 88 ASN CB C 13 37.3700 0.3 . 1 . . . . . 112 ASN CB . 26336 1 924 . 1 . 1 88 88 ASN N N 15 121.8600 0.3 . 1 . . . . . 112 ASN N . 26336 1 925 . 1 . 1 88 88 ASN ND2 N 15 112.6400 0.3 . 1 . . . . . 112 ASN ND2 . 26336 1 926 . 1 . 1 89 89 THR H H 1 7.8600 0.02 . 1 . . . . . 113 THR HN . 26336 1 927 . 1 . 1 89 89 THR HA H 1 4.1900 0.02 . 1 . . . . . 113 THR HA . 26336 1 928 . 1 . 1 89 89 THR HB H 1 4.3700 0.02 . 1 . . . . . 113 THR HB . 26336 1 929 . 1 . 1 89 89 THR HG21 H 1 1.2900 0.02 . 1 . . . . . 113 THR HG2# . 26336 1 930 . 1 . 1 89 89 THR HG22 H 1 1.2900 0.02 . 1 . . . . . 113 THR HG2# . 26336 1 931 . 1 . 1 89 89 THR HG23 H 1 1.2900 0.02 . 1 . . . . . 113 THR HG2# . 26336 1 932 . 1 . 1 89 89 THR C C 13 176.1100 0.3 . 1 . . . . . 113 THR C . 26336 1 933 . 1 . 1 89 89 THR CA C 13 62.5400 0.3 . 1 . . . . . 113 THR CA . 26336 1 934 . 1 . 1 89 89 THR CB C 13 68.5700 0.3 . 1 . . . . . 113 THR CB . 26336 1 935 . 1 . 1 89 89 THR CG2 C 13 22.0600 0.3 . 1 . . . . . 113 THR CG2 . 26336 1 936 . 1 . 1 89 89 THR N N 15 113.9900 0.3 . 1 . . . . . 113 THR N . 26336 1 937 . 1 . 1 90 90 THR H H 1 8.1300 0.02 . 1 . . . . . 114 THR HN . 26336 1 938 . 1 . 1 90 90 THR HA H 1 4.2500 0.02 . 1 . . . . . 114 THR HA . 26336 1 939 . 1 . 1 90 90 THR HB H 1 3.9700 0.02 . 1 . . . . . 114 THR HB . 26336 1 940 . 1 . 1 90 90 THR HG21 H 1 1.2700 0.02 . 1 . . . . . 114 THR HG2# . 26336 1 941 . 1 . 1 90 90 THR HG22 H 1 1.2700 0.02 . 1 . . . . . 114 THR HG2# . 26336 1 942 . 1 . 1 90 90 THR HG23 H 1 1.2700 0.02 . 1 . . . . . 114 THR HG2# . 26336 1 943 . 1 . 1 90 90 THR C C 13 174.8500 0.3 . 1 . . . . . 114 THR C . 26336 1 944 . 1 . 1 90 90 THR CA C 13 64.0400 0.3 . 1 . . . . . 114 THR CA . 26336 1 945 . 1 . 1 90 90 THR CB C 13 69.4200 0.3 . 1 . . . . . 114 THR CB . 26336 1 946 . 1 . 1 90 90 THR CG2 C 13 22.2400 0.3 . 1 . . . . . 114 THR CG2 . 26336 1 947 . 1 . 1 90 90 THR N N 15 116.8900 0.3 . 1 . . . . . 114 THR N . 26336 1 948 . 1 . 1 91 91 LYS H H 1 7.6100 0.02 . 1 . . . . . 115 LYS HN . 26336 1 949 . 1 . 1 91 91 LYS HA H 1 4.5400 0.02 . 1 . . . . . 115 LYS HA . 26336 1 950 . 1 . 1 91 91 LYS HB2 H 1 1.8100 0.02 . 2 . . . . . 115 LYS HB2 . 26336 1 951 . 1 . 1 91 91 LYS HB3 H 1 1.5200 0.02 . 2 . . . . . 115 LYS HB3 . 26336 1 952 . 1 . 1 91 91 LYS HD2 H 1 1.7000 0.02 . 2 . . . . . 115 LYS HD2 . 26336 1 953 . 1 . 1 91 91 LYS HE2 H 1 3.0020 0.02 . 2 . . . . . 115 LYS HE2 . 26336 1 954 . 1 . 1 91 91 LYS HG2 H 1 1.3490 0.02 . 2 . . . . . 115 LYS HG2 . 26336 1 955 . 1 . 1 91 91 LYS HG3 H 1 1.3210 0.02 . 2 . . . . . 115 LYS HG3 . 26336 1 956 . 1 . 1 91 91 LYS C C 13 170.8500 0.3 . 1 . . . . . 115 LYS C . 26336 1 957 . 1 . 1 91 91 LYS CA C 13 53.6200 0.3 . 1 . . . . . 115 LYS CA . 26336 1 958 . 1 . 1 91 91 LYS CB C 13 32.6600 0.3 . 1 . . . . . 115 LYS CB . 26336 1 959 . 1 . 1 91 91 LYS CD C 13 28.9500 0.3 . 1 . . . . . 115 LYS CD . 26336 1 960 . 1 . 1 91 91 LYS CE C 13 41.9000 0.3 . 1 . . . . . 115 LYS CE . 26336 1 961 . 1 . 1 91 91 LYS CG C 13 24.8500 0.3 . 1 . . . . . 115 LYS CG . 26336 1 962 . 1 . 1 91 91 LYS N N 15 122.0100 0.3 . 1 . . . . . 115 LYS N . 26336 1 963 . 1 . 1 92 92 PRO HA H 1 4.4400 0.02 . 1 . . . . . 116 PRO HA . 26336 1 964 . 1 . 1 92 92 PRO HB2 H 1 2.3600 0.02 . 2 . . . . . 116 PRO HB2 . 26336 1 965 . 1 . 1 92 92 PRO HB3 H 1 1.9100 0.02 . 2 . . . . . 116 PRO HB3 . 26336 1 966 . 1 . 1 92 92 PRO HD2 H 1 3.5100 0.02 . 2 . . . . . 116 PRO HD2 . 26336 1 967 . 1 . 1 92 92 PRO HD3 H 1 3.1870 0.02 . 2 . . . . . 116 PRO HD3 . 26336 1 968 . 1 . 1 92 92 PRO HG2 H 1 1.9700 0.02 . 2 . . . . . 116 PRO HG2 . 26336 1 969 . 1 . 1 92 92 PRO C C 13 178.7000 0.3 . 1 . . . . . 116 PRO C . 26336 1 970 . 1 . 1 92 92 PRO CA C 13 62.8800 0.3 . 1 . . . . . 116 PRO CA . 26336 1 971 . 1 . 1 92 92 PRO CB C 13 32.0900 0.3 . 1 . . . . . 116 PRO CB . 26336 1 972 . 1 . 1 92 92 PRO CD C 13 49.9700 0.3 . 1 . . . . . 116 PRO CD . 26336 1 973 . 1 . 1 92 92 PRO CG C 13 27.2500 0.3 . 1 . . . . . 116 PRO CG . 26336 1 974 . 1 . 1 93 93 ARG H H 1 10.5400 0.02 . 1 . . . . . 117 ARG HN . 26336 1 975 . 1 . 1 93 93 ARG HA H 1 4.3900 0.02 . 1 . . . . . 117 ARG HA . 26336 1 976 . 1 . 1 93 93 ARG HB2 H 1 2.2600 0.02 . 2 . . . . . 117 ARG HB2 . 26336 1 977 . 1 . 1 93 93 ARG HB3 H 1 2.0500 0.02 . 2 . . . . . 117 ARG HB3 . 26336 1 978 . 1 . 1 93 93 ARG HD3 H 1 3.4500 0.02 . 2 . . . . . 117 ARG HD3 . 26336 1 979 . 1 . 1 93 93 ARG HG2 H 1 1.9300 0.02 . 2 . . . . . 117 ARG HG2 . 26336 1 980 . 1 . 1 93 93 ARG C C 13 176.0200 0.3 . 1 . . . . . 117 ARG C . 26336 1 981 . 1 . 1 93 93 ARG CA C 13 56.1600 0.3 . 1 . . . . . 117 ARG CA . 26336 1 982 . 1 . 1 93 93 ARG CB C 13 30.7700 0.3 . 1 . . . . . 117 ARG CB . 26336 1 983 . 1 . 1 93 93 ARG CD C 13 43.2700 0.3 . 1 . . . . . 117 ARG CD . 26336 1 984 . 1 . 1 93 93 ARG CG C 13 27.7700 0.3 . 1 . . . . . 117 ARG CG . 26336 1 985 . 1 . 1 93 93 ARG N N 15 120.1400 0.3 . 1 . . . . . 117 ARG N . 26336 1 986 . 1 . 1 94 94 PHE H H 1 7.3900 0.02 . 1 . . . . . 118 PHE HN . 26336 1 987 . 1 . 1 94 94 PHE HA H 1 5.2000 0.02 . 1 . . . . . 118 PHE HA . 26336 1 988 . 1 . 1 94 94 PHE HB2 H 1 2.9700 0.02 . 2 . . . . . 118 PHE HB2 . 26336 1 989 . 1 . 1 94 94 PHE HD2 H 1 7.0680 0.02 . 3 . . . . . 118 PHE HD2 . 26336 1 990 . 1 . 1 94 94 PHE C C 13 173.2500 0.3 . 1 . . . . . 118 PHE C . 26336 1 991 . 1 . 1 94 94 PHE CA C 13 55.0400 0.3 . 1 . . . . . 118 PHE CA . 26336 1 992 . 1 . 1 94 94 PHE CB C 13 41.3300 0.3 . 1 . . . . . 118 PHE CB . 26336 1 993 . 1 . 1 94 94 PHE CD2 C 13 133.4500 0.3 . 3 . . . . . 118 PHE CD2 . 26336 1 994 . 1 . 1 94 94 PHE N N 15 112.5600 0.3 . 1 . . . . . 118 PHE N . 26336 1 995 . 1 . 1 95 95 SER H H 1 9.0200 0.02 . 1 . . . . . 119 SER HN . 26336 1 996 . 1 . 1 95 95 SER HA H 1 4.8500 0.02 . 1 . . . . . 119 SER HA . 26336 1 997 . 1 . 1 95 95 SER HB2 H 1 4.1400 0.02 . 2 . . . . . 119 SER HB2 . 26336 1 998 . 1 . 1 95 95 SER HB3 H 1 3.9700 0.02 . 2 . . . . . 119 SER HB3 . 26336 1 999 . 1 . 1 95 95 SER C C 13 171.7300 0.3 . 1 . . . . . 119 SER C . 26336 1 1000 . 1 . 1 95 95 SER CA C 13 57.0900 0.3 . 1 . . . . . 119 SER CA . 26336 1 1001 . 1 . 1 95 95 SER CB C 13 62.6900 0.3 . 1 . . . . . 119 SER CB . 26336 1 1002 . 1 . 1 95 95 SER N N 15 119.8300 0.3 . 1 . . . . . 119 SER N . 26336 1 1003 . 1 . 1 96 96 PRO HA H 1 5.1300 0.02 . 1 . . . . . 120 PRO HA . 26336 1 1004 . 1 . 1 96 96 PRO HB2 H 1 2.2930 0.02 . 2 . . . . . 120 PRO HB2 . 26336 1 1005 . 1 . 1 96 96 PRO HB3 H 1 1.9010 0.02 . 2 . . . . . 120 PRO HB3 . 26336 1 1006 . 1 . 1 96 96 PRO HD2 H 1 3.6900 0.02 . 2 . . . . . 120 PRO HD2 . 26336 1 1007 . 1 . 1 96 96 PRO HG2 H 1 2.1200 0.02 . 2 . . . . . 120 PRO HG2 . 26336 1 1008 . 1 . 1 96 96 PRO C C 13 176.9300 0.3 . 1 . . . . . 120 PRO C . 26336 1 1009 . 1 . 1 96 96 PRO CA C 13 63.3400 0.3 . 1 . . . . . 120 PRO CA . 26336 1 1010 . 1 . 1 96 96 PRO CB C 13 32.9700 0.3 . 1 . . . . . 120 PRO CB . 26336 1 1011 . 1 . 1 96 96 PRO CD C 13 50.5800 0.3 . 1 . . . . . 120 PRO CD . 26336 1 1012 . 1 . 1 96 96 PRO CG C 13 27.4200 0.3 . 1 . . . . . 120 PRO CG . 26336 1 1013 . 1 . 1 97 97 LEU H H 1 8.9200 0.02 . 1 . . . . . 121 LEU HN . 26336 1 1014 . 1 . 1 97 97 LEU HA H 1 5.1500 0.02 . 1 . . . . . 121 LEU HA . 26336 1 1015 . 1 . 1 97 97 LEU HB2 H 1 1.7200 0.02 . 2 . . . . . 121 LEU HB2 . 26336 1 1016 . 1 . 1 97 97 LEU HB3 H 1 1.6100 0.02 . 2 . . . . . 121 LEU HB3 . 26336 1 1017 . 1 . 1 97 97 LEU HD11 H 1 1.0360 0.02 . 2 . . . . . 121 LEU HD1# . 26336 1 1018 . 1 . 1 97 97 LEU HD12 H 1 1.0360 0.02 . 2 . . . . . 121 LEU HD1# . 26336 1 1019 . 1 . 1 97 97 LEU HD13 H 1 1.0360 0.02 . 2 . . . . . 121 LEU HD1# . 26336 1 1020 . 1 . 1 97 97 LEU HD21 H 1 0.9100 0.02 . 2 . . . . . 121 LEU HD2# . 26336 1 1021 . 1 . 1 97 97 LEU HD22 H 1 0.9100 0.02 . 2 . . . . . 121 LEU HD2# . 26336 1 1022 . 1 . 1 97 97 LEU HD23 H 1 0.9100 0.02 . 2 . . . . . 121 LEU HD2# . 26336 1 1023 . 1 . 1 97 97 LEU HG H 1 1.8700 0.02 . 1 . . . . . 121 LEU HG . 26336 1 1024 . 1 . 1 97 97 LEU C C 13 175.2500 0.3 . 1 . . . . . 121 LEU C . 26336 1 1025 . 1 . 1 97 97 LEU CA C 13 53.4400 0.3 . 1 . . . . . 121 LEU CA . 26336 1 1026 . 1 . 1 97 97 LEU CB C 13 46.5000 0.3 . 1 . . . . . 121 LEU CB . 26336 1 1027 . 1 . 1 97 97 LEU CD1 C 13 24.5200 0.3 . 2 . . . . . 121 LEU CD1 . 26336 1 1028 . 1 . 1 97 97 LEU CD2 C 13 26.9100 0.3 . 2 . . . . . 121 LEU CD2 . 26336 1 1029 . 1 . 1 97 97 LEU CG C 13 27.2000 0.3 . 1 . . . . . 121 LEU CG . 26336 1 1030 . 1 . 1 97 97 LEU N N 15 120.8900 0.3 . 1 . . . . . 121 LEU N . 26336 1 1031 . 1 . 1 98 98 VAL H H 1 8.4900 0.02 . 1 . . . . . 122 VAL HN . 26336 1 1032 . 1 . 1 98 98 VAL HA H 1 5.2600 0.02 . 1 . . . . . 122 VAL HA . 26336 1 1033 . 1 . 1 98 98 VAL HB H 1 1.8100 0.02 . 1 . . . . . 122 VAL HB . 26336 1 1034 . 1 . 1 98 98 VAL HG11 H 1 0.8100 0.02 . 2 . . . . . 122 VAL HG1# . 26336 1 1035 . 1 . 1 98 98 VAL HG12 H 1 0.8100 0.02 . 2 . . . . . 122 VAL HG1# . 26336 1 1036 . 1 . 1 98 98 VAL HG13 H 1 0.8100 0.02 . 2 . . . . . 122 VAL HG1# . 26336 1 1037 . 1 . 1 98 98 VAL HG21 H 1 0.7400 0.02 . 2 . . . . . 122 VAL HG2# . 26336 1 1038 . 1 . 1 98 98 VAL HG22 H 1 0.7400 0.02 . 2 . . . . . 122 VAL HG2# . 26336 1 1039 . 1 . 1 98 98 VAL HG23 H 1 0.7400 0.02 . 2 . . . . . 122 VAL HG2# . 26336 1 1040 . 1 . 1 98 98 VAL CA C 13 60.7500 0.3 . 1 . . . . . 122 VAL CA . 26336 1 1041 . 1 . 1 98 98 VAL CB C 13 33.6500 0.3 . 1 . . . . . 122 VAL CB . 26336 1 1042 . 1 . 1 98 98 VAL CG1 C 13 21.3600 0.3 . 2 . . . . . 122 VAL CG1 . 26336 1 1043 . 1 . 1 98 98 VAL CG2 C 13 21.6300 0.3 . 2 . . . . . 122 VAL CG2 . 26336 1 1044 . 1 . 1 98 98 VAL N N 15 120.9600 0.3 . 1 . . . . . 122 VAL N . 26336 1 1045 . 1 . 1 99 99 ILE H H 1 9.3400 0.02 . 1 . . . . . 123 ILE HN . 26336 1 1046 . 1 . 1 99 99 ILE HA H 1 5.1000 0.02 . 1 . . . . . 123 ILE HA . 26336 1 1047 . 1 . 1 99 99 ILE HB H 1 1.8600 0.02 . 1 . . . . . 123 ILE HB . 26336 1 1048 . 1 . 1 99 99 ILE HD11 H 1 0.8940 0.02 . 1 . . . . . 123 ILE HD1# . 26336 1 1049 . 1 . 1 99 99 ILE HD12 H 1 0.8940 0.02 . 1 . . . . . 123 ILE HD1# . 26336 1 1050 . 1 . 1 99 99 ILE HD13 H 1 0.8940 0.02 . 1 . . . . . 123 ILE HD1# . 26336 1 1051 . 1 . 1 99 99 ILE HG12 H 1 1.5500 0.02 . 2 . . . . . 123 ILE HG12 . 26336 1 1052 . 1 . 1 99 99 ILE HG13 H 1 1.1700 0.02 . 2 . . . . . 123 ILE HG13 . 26336 1 1053 . 1 . 1 99 99 ILE HG21 H 1 0.9200 0.02 . 1 . . . . . 123 ILE HG2# . 26336 1 1054 . 1 . 1 99 99 ILE HG22 H 1 0.9200 0.02 . 1 . . . . . 123 ILE HG2# . 26336 1 1055 . 1 . 1 99 99 ILE HG23 H 1 0.9200 0.02 . 1 . . . . . 123 ILE HG2# . 26336 1 1056 . 1 . 1 99 99 ILE C C 13 173.0900 0.3 . 1 . . . . . 123 ILE C . 26336 1 1057 . 1 . 1 99 99 ILE CA C 13 55.7100 0.3 . 1 . . . . . 123 ILE CA . 26336 1 1058 . 1 . 1 99 99 ILE CB C 13 42.3300 0.3 . 1 . . . . . 123 ILE CB . 26336 1 1059 . 1 . 1 99 99 ILE CD1 C 13 14.1200 0.3 . 1 . . . . . 123 ILE CD1 . 26336 1 1060 . 1 . 1 99 99 ILE CG1 C 13 26.5000 0.3 . 1 . . . . . 123 ILE CG1 . 26336 1 1061 . 1 . 1 99 99 ILE CG2 C 13 18.6500 0.3 . 1 . . . . . 123 ILE CG2 . 26336 1 1062 . 1 . 1 99 99 ILE N N 15 122.8400 0.3 . 1 . . . . . 123 ILE N . 26336 1 1063 . 1 . 1 100 100 PRO HA H 1 5.2700 0.02 . 1 . . . . . 124 PRO HA . 26336 1 1064 . 1 . 1 100 100 PRO HB2 H 1 2.3400 0.02 . 2 . . . . . 124 PRO HB2 . 26336 1 1065 . 1 . 1 100 100 PRO HB3 H 1 1.9700 0.02 . 2 . . . . . 124 PRO HB3 . 26336 1 1066 . 1 . 1 100 100 PRO HD2 H 1 3.8200 0.02 . 2 . . . . . 124 PRO HD2 . 26336 1 1067 . 1 . 1 100 100 PRO HD3 H 1 3.6800 0.02 . 2 . . . . . 124 PRO HD3 . 26336 1 1068 . 1 . 1 100 100 PRO HG2 H 1 0.8700 0.02 . 2 . . . . . 124 PRO HG2 . 26336 1 1069 . 1 . 1 100 100 PRO C C 13 175.0600 0.3 . 1 . . . . . 124 PRO C . 26336 1 1070 . 1 . 1 100 100 PRO CA C 13 61.5500 0.3 . 1 . . . . . 124 PRO CA . 26336 1 1071 . 1 . 1 100 100 PRO CB C 13 32.0600 0.3 . 1 . . . . . 124 PRO CB . 26336 1 1072 . 1 . 1 100 100 PRO CD C 13 50.5800 0.3 . 1 . . . . . 124 PRO CD . 26336 1 1073 . 1 . 1 100 100 PRO CG C 13 26.8500 0.3 . 1 . . . . . 124 PRO CG . 26336 1 1074 . 1 . 1 101 101 LEU H H 1 9.2000 0.02 . 1 . . . . . 125 LEU HN . 26336 1 1075 . 1 . 1 101 101 LEU HA H 1 4.7580 0.02 . 1 . . . . . 125 LEU HA . 26336 1 1076 . 1 . 1 101 101 LEU HB2 H 1 1.6040 0.02 . 2 . . . . . 125 LEU HB2 . 26336 1 1077 . 1 . 1 101 101 LEU HD11 H 1 0.5290 0.02 . 2 . . . . . 125 LEU HD1# . 26336 1 1078 . 1 . 1 101 101 LEU HD12 H 1 0.5290 0.02 . 2 . . . . . 125 LEU HD1# . 26336 1 1079 . 1 . 1 101 101 LEU HD13 H 1 0.5290 0.02 . 2 . . . . . 125 LEU HD1# . 26336 1 1080 . 1 . 1 101 101 LEU HD21 H 1 0.6200 0.02 . 2 . . . . . 125 LEU HD2# . 26336 1 1081 . 1 . 1 101 101 LEU HD22 H 1 0.6200 0.02 . 2 . . . . . 125 LEU HD2# . 26336 1 1082 . 1 . 1 101 101 LEU HD23 H 1 0.6200 0.02 . 2 . . . . . 125 LEU HD2# . 26336 1 1083 . 1 . 1 101 101 LEU HG H 1 1.4770 0.02 . 1 . . . . . 125 LEU HG . 26336 1 1084 . 1 . 1 101 101 LEU C C 13 176.4900 0.3 . 1 . . . . . 125 LEU C . 26336 1 1085 . 1 . 1 101 101 LEU CA C 13 53.9100 0.3 . 1 . . . . . 125 LEU CA . 26336 1 1086 . 1 . 1 101 101 LEU CB C 13 45.4700 0.3 . 1 . . . . . 125 LEU CB . 26336 1 1087 . 1 . 1 101 101 LEU CD1 C 13 25.5500 0.3 . 2 . . . . . 125 LEU CD1 . 26336 1 1088 . 1 . 1 101 101 LEU CD2 C 13 25.5800 0.3 . 2 . . . . . 125 LEU CD2 . 26336 1 1089 . 1 . 1 101 101 LEU CG C 13 26.8000 0.3 . 1 . . . . . 125 LEU CG . 26336 1 1090 . 1 . 1 101 101 LEU N N 15 123.0800 0.3 . 1 . . . . . 125 LEU N . 26336 1 1091 . 1 . 1 102 102 GLY H H 1 8.2820 0.02 . 1 . . . . . 126 GLY HN . 26336 1 1092 . 1 . 1 102 102 GLY HA2 H 1 3.9600 0.02 . 2 . . . . . 126 GLY HA2 . 26336 1 1093 . 1 . 1 102 102 GLY C C 13 174.6600 0.3 . 1 . . . . . 126 GLY C . 26336 1 1094 . 1 . 1 102 102 GLY CA C 13 45.3000 0.3 . 1 . . . . . 126 GLY CA . 26336 1 1095 . 1 . 1 102 102 GLY N N 15 108.4800 0.3 . 1 . . . . . 126 GLY N . 26336 1 1096 . 1 . 1 103 103 ILE H H 1 7.7900 0.02 . 1 . . . . . 127 ILE HN . 26336 1 1097 . 1 . 1 103 103 ILE HA H 1 4.4800 0.02 . 1 . . . . . 127 ILE HA . 26336 1 1098 . 1 . 1 103 103 ILE HB H 1 1.7900 0.02 . 1 . . . . . 127 ILE HB . 26336 1 1099 . 1 . 1 103 103 ILE HD11 H 1 0.7200 0.02 . 1 . . . . . 127 ILE HD1# . 26336 1 1100 . 1 . 1 103 103 ILE HD12 H 1 0.7200 0.02 . 1 . . . . . 127 ILE HD1# . 26336 1 1101 . 1 . 1 103 103 ILE HD13 H 1 0.7200 0.02 . 1 . . . . . 127 ILE HD1# . 26336 1 1102 . 1 . 1 103 103 ILE HG12 H 1 1.3930 0.02 . 2 . . . . . 127 ILE HG12 . 26336 1 1103 . 1 . 1 103 103 ILE HG13 H 1 1.0400 0.02 . 2 . . . . . 127 ILE HG13 . 26336 1 1104 . 1 . 1 103 103 ILE HG21 H 1 0.4600 0.02 . 1 . . . . . 127 ILE HG2# . 26336 1 1105 . 1 . 1 103 103 ILE HG22 H 1 0.4600 0.02 . 1 . . . . . 127 ILE HG2# . 26336 1 1106 . 1 . 1 103 103 ILE HG23 H 1 0.4600 0.02 . 1 . . . . . 127 ILE HG2# . 26336 1 1107 . 1 . 1 103 103 ILE C C 13 176.0800 0.3 . 1 . . . . . 127 ILE C . 26336 1 1108 . 1 . 1 103 103 ILE CA C 13 59.5000 0.3 . 1 . . . . . 127 ILE CA . 26336 1 1109 . 1 . 1 103 103 ILE CB C 13 38.5000 0.3 . 1 . . . . . 127 ILE CB . 26336 1 1110 . 1 . 1 103 103 ILE CD1 C 13 9.1900 0.3 . 1 . . . . . 127 ILE CD1 . 26336 1 1111 . 1 . 1 103 103 ILE CG1 C 13 26.6600 0.3 . 1 . . . . . 127 ILE CG1 . 26336 1 1112 . 1 . 1 103 103 ILE CG2 C 13 18.2400 0.3 . 1 . . . . . 127 ILE CG2 . 26336 1 1113 . 1 . 1 103 103 ILE N N 15 114.4700 0.3 . 1 . . . . . 127 ILE N . 26336 1 1114 . 1 . 1 104 104 ASP H H 1 8.4900 0.02 . 1 . . . . . 128 ASP HN . 26336 1 1115 . 1 . 1 104 104 ASP HA H 1 5.2200 0.02 . 1 . . . . . 128 ASP HA . 26336 1 1116 . 1 . 1 104 104 ASP HB2 H 1 2.7300 0.02 . 2 . . . . . 128 ASP HB2 . 26336 1 1117 . 1 . 1 104 104 ASP HB3 H 1 2.6200 0.02 . 2 . . . . . 128 ASP HB3 . 26336 1 1118 . 1 . 1 104 104 ASP C C 13 177.1000 0.3 . 1 . . . . . 128 ASP C . 26336 1 1119 . 1 . 1 104 104 ASP CA C 13 54.3100 0.3 . 1 . . . . . 128 ASP CA . 26336 1 1120 . 1 . 1 104 104 ASP CB C 13 41.5300 0.3 . 1 . . . . . 128 ASP CB . 26336 1 1121 . 1 . 1 104 104 ASP N N 15 121.2400 0.3 . 1 . . . . . 128 ASP N . 26336 1 1122 . 1 . 1 105 105 THR H H 1 8.0800 0.02 . 1 . . . . . 129 THR HN . 26336 1 1123 . 1 . 1 105 105 THR HA H 1 4.4200 0.02 . 1 . . . . . 129 THR HA . 26336 1 1124 . 1 . 1 105 105 THR HB H 1 4.3700 0.02 . 1 . . . . . 129 THR HB . 26336 1 1125 . 1 . 1 105 105 THR HG21 H 1 1.3000 0.02 . 1 . . . . . 129 THR HG2# . 26336 1 1126 . 1 . 1 105 105 THR HG22 H 1 1.3000 0.02 . 1 . . . . . 129 THR HG2# . 26336 1 1127 . 1 . 1 105 105 THR HG23 H 1 1.3000 0.02 . 1 . . . . . 129 THR HG2# . 26336 1 1128 . 1 . 1 105 105 THR C C 13 175.3000 0.3 . 1 . . . . . 129 THR C . 26336 1 1129 . 1 . 1 105 105 THR CA C 13 62.1000 0.3 . 1 . . . . . 129 THR CA . 26336 1 1130 . 1 . 1 105 105 THR CB C 13 69.0400 0.3 . 1 . . . . . 129 THR CB . 26336 1 1131 . 1 . 1 105 105 THR CG2 C 13 21.5500 0.3 . 1 . . . . . 129 THR CG2 . 26336 1 1132 . 1 . 1 105 105 THR N N 15 114.4100 0.3 . 1 . . . . . 129 THR N . 26336 1 1133 . 1 . 1 106 106 THR H H 1 8.2800 0.02 . 1 . . . . . 130 THR HN . 26336 1 1134 . 1 . 1 106 106 THR HA H 1 4.4300 0.02 . 1 . . . . . 130 THR HA . 26336 1 1135 . 1 . 1 106 106 THR HB H 1 4.3500 0.02 . 1 . . . . . 130 THR HB . 26336 1 1136 . 1 . 1 106 106 THR HG21 H 1 1.2800 0.02 . 1 . . . . . 130 THR HG2# . 26336 1 1137 . 1 . 1 106 106 THR HG22 H 1 1.2800 0.02 . 1 . . . . . 130 THR HG2# . 26336 1 1138 . 1 . 1 106 106 THR HG23 H 1 1.2800 0.02 . 1 . . . . . 130 THR HG2# . 26336 1 1139 . 1 . 1 106 106 THR C C 13 174.7100 0.3 . 1 . . . . . 130 THR C . 26336 1 1140 . 1 . 1 106 106 THR CA C 13 62.4000 0.3 . 1 . . . . . 130 THR CA . 26336 1 1141 . 1 . 1 106 106 THR CB C 13 69.5300 0.3 . 1 . . . . . 130 THR CB . 26336 1 1142 . 1 . 1 106 106 THR CG2 C 13 21.7600 0.3 . 1 . . . . . 130 THR CG2 . 26336 1 1143 . 1 . 1 106 106 THR N N 15 113.8900 0.3 . 1 . . . . . 130 THR N . 26336 1 1144 . 1 . 1 107 107 SER H H 1 7.9200 0.02 . 1 . . . . . 131 SER HN . 26336 1 1145 . 1 . 1 107 107 SER HA H 1 4.9500 0.02 . 1 . . . . . 131 SER HA . 26336 1 1146 . 1 . 1 107 107 SER HB2 H 1 3.9040 0.02 . 2 . . . . . 131 SER HB2 . 26336 1 1147 . 1 . 1 107 107 SER HB3 H 1 3.8400 0.02 . 2 . . . . . 131 SER HB3 . 26336 1 1148 . 1 . 1 107 107 SER C C 13 172.6000 0.3 . 1 . . . . . 131 SER C . 26336 1 1149 . 1 . 1 107 107 SER CA C 13 55.5000 0.3 . 1 . . . . . 131 SER CA . 26336 1 1150 . 1 . 1 107 107 SER CB C 13 63.8800 0.3 . 1 . . . . . 131 SER CB . 26336 1 1151 . 1 . 1 107 107 SER N N 15 116.9000 0.3 . 1 . . . . . 131 SER N . 26336 1 1152 . 1 . 1 108 108 PRO HA H 1 4.6500 0.02 . 1 . . . . . 132 PRO HA . 26336 1 1153 . 1 . 1 108 108 PRO HB2 H 1 2.2500 0.02 . 2 . . . . . 132 PRO HB2 . 26336 1 1154 . 1 . 1 108 108 PRO HB3 H 1 1.9300 0.02 . 2 . . . . . 132 PRO HB3 . 26336 1 1155 . 1 . 1 108 108 PRO HD2 H 1 3.9500 0.02 . 2 . . . . . 132 PRO HD2 . 26336 1 1156 . 1 . 1 108 108 PRO HD3 H 1 3.7300 0.02 . 2 . . . . . 132 PRO HD3 . 26336 1 1157 . 1 . 1 108 108 PRO HG2 H 1 0.9100 0.02 . 2 . . . . . 132 PRO HG2 . 26336 1 1158 . 1 . 1 108 108 PRO C C 13 176.2500 0.3 . 1 . . . . . 132 PRO C . 26336 1 1159 . 1 . 1 108 108 PRO CA C 13 61.3700 0.3 . 1 . . . . . 132 PRO CA . 26336 1 1160 . 1 . 1 108 108 PRO CB C 13 30.9300 0.3 . 1 . . . . . 132 PRO CB . 26336 1 1161 . 1 . 1 108 108 PRO CD C 13 50.9000 0.3 . 1 . . . . . 132 PRO CD . 26336 1 1162 . 1 . 1 108 108 PRO CG C 13 26.8800 0.3 . 1 . . . . . 132 PRO CG . 26336 1 1163 . 1 . 1 109 109 THR H H 1 7.6400 0.02 . 1 . . . . . 133 THR HN . 26336 1 1164 . 1 . 1 109 109 THR HA H 1 5.0900 0.02 . 1 . . . . . 133 THR HA . 26336 1 1165 . 1 . 1 109 109 THR HB H 1 3.9000 0.02 . 1 . . . . . 133 THR HB . 26336 1 1166 . 1 . 1 109 109 THR HG21 H 1 1.0200 0.02 . 1 . . . . . 133 THR HG2# . 26336 1 1167 . 1 . 1 109 109 THR HG22 H 1 1.0200 0.02 . 1 . . . . . 133 THR HG2# . 26336 1 1168 . 1 . 1 109 109 THR HG23 H 1 1.0200 0.02 . 1 . . . . . 133 THR HG2# . 26336 1 1169 . 1 . 1 109 109 THR C C 13 173.5600 0.3 . 1 . . . . . 133 THR C . 26336 1 1170 . 1 . 1 109 109 THR CA C 13 60.9900 0.3 . 1 . . . . . 133 THR CA . 26336 1 1171 . 1 . 1 109 109 THR CB C 13 69.8900 0.3 . 1 . . . . . 133 THR CB . 26336 1 1172 . 1 . 1 109 109 THR CG2 C 13 21.4400 0.3 . 1 . . . . . 133 THR CG2 . 26336 1 1173 . 1 . 1 109 109 THR N N 15 112.7900 0.3 . 1 . . . . . 133 THR N . 26336 1 1174 . 1 . 1 110 110 MET H H 1 8.5530 0.02 . 1 . . . . . 134 MET HN . 26336 1 1175 . 1 . 1 110 110 MET HA H 1 4.7500 0.02 . 1 . . . . . 134 MET HA . 26336 1 1176 . 1 . 1 110 110 MET HB2 H 1 1.9900 0.02 . 2 . . . . . 134 MET HB2 . 26336 1 1177 . 1 . 1 110 110 MET HB3 H 1 1.9300 0.02 . 2 . . . . . 134 MET HB3 . 26336 1 1178 . 1 . 1 110 110 MET HG2 H 1 2.4500 0.02 . 2 . . . . . 134 MET HG2 . 26336 1 1179 . 1 . 1 110 110 MET C C 13 173.7500 0.3 . 1 . . . . . 134 MET C . 26336 1 1180 . 1 . 1 110 110 MET CA C 13 54.1300 0.3 . 1 . . . . . 134 MET CA . 26336 1 1181 . 1 . 1 110 110 MET CB C 13 35.3500 0.3 . 1 . . . . . 134 MET CB . 26336 1 1182 . 1 . 1 110 110 MET CG C 13 31.8600 0.3 . 1 . . . . . 134 MET CG . 26336 1 1183 . 1 . 1 110 110 MET N N 15 126.9300 0.3 . 1 . . . . . 134 MET N . 26336 1 1184 . 1 . 1 111 111 THR H H 1 8.5200 0.02 . 1 . . . . . 135 THR HN . 26336 1 1185 . 1 . 1 111 111 THR HA H 1 5.3400 0.02 . 1 . . . . . 135 THR HA . 26336 1 1186 . 1 . 1 111 111 THR HB H 1 3.9200 0.02 . 1 . . . . . 135 THR HB . 26336 1 1187 . 1 . 1 111 111 THR HG21 H 1 1.0750 0.02 . 1 . . . . . 135 THR HG2# . 26336 1 1188 . 1 . 1 111 111 THR HG22 H 1 1.0750 0.02 . 1 . . . . . 135 THR HG2# . 26336 1 1189 . 1 . 1 111 111 THR HG23 H 1 1.0750 0.02 . 1 . . . . . 135 THR HG2# . 26336 1 1190 . 1 . 1 111 111 THR C C 13 173.7500 0.3 . 1 . . . . . 135 THR C . 26336 1 1191 . 1 . 1 111 111 THR CA C 13 61.4100 0.3 . 1 . . . . . 135 THR CA . 26336 1 1192 . 1 . 1 111 111 THR CB C 13 69.5800 0.3 . 1 . . . . . 135 THR CB . 26336 1 1193 . 1 . 1 111 111 THR CG2 C 13 20.8200 0.3 . 1 . . . . . 135 THR CG2 . 26336 1 1194 . 1 . 1 111 111 THR N N 15 120.8800 0.3 . 1 . . . . . 135 THR N . 26336 1 1195 . 1 . 1 112 112 LEU H H 1 9.3900 0.02 . 1 . . . . . 136 LEU HN . 26336 1 1196 . 1 . 1 112 112 LEU HA H 1 4.6900 0.02 . 1 . . . . . 136 LEU HA . 26336 1 1197 . 1 . 1 112 112 LEU HB2 H 1 1.5200 0.02 . 2 . . . . . 136 LEU HB2 . 26336 1 1198 . 1 . 1 112 112 LEU HB3 H 1 1.3600 0.02 . 2 . . . . . 136 LEU HB3 . 26336 1 1199 . 1 . 1 112 112 LEU HD11 H 1 0.8900 0.02 . 2 . . . . . 136 LEU HD1# . 26336 1 1200 . 1 . 1 112 112 LEU HD12 H 1 0.8900 0.02 . 2 . . . . . 136 LEU HD1# . 26336 1 1201 . 1 . 1 112 112 LEU HD13 H 1 0.8900 0.02 . 2 . . . . . 136 LEU HD1# . 26336 1 1202 . 1 . 1 112 112 LEU HD21 H 1 0.8800 0.02 . 2 . . . . . 136 LEU HD2# . 26336 1 1203 . 1 . 1 112 112 LEU HD22 H 1 0.8800 0.02 . 2 . . . . . 136 LEU HD2# . 26336 1 1204 . 1 . 1 112 112 LEU HD23 H 1 0.8800 0.02 . 2 . . . . . 136 LEU HD2# . 26336 1 1205 . 1 . 1 112 112 LEU HG H 1 1.3600 0.02 . 1 . . . . . 136 LEU HG . 26336 1 1206 . 1 . 1 112 112 LEU C C 13 175.0900 0.3 . 1 . . . . . 136 LEU C . 26336 1 1207 . 1 . 1 112 112 LEU CA C 13 52.6700 0.3 . 1 . . . . . 136 LEU CA . 26336 1 1208 . 1 . 1 112 112 LEU CB C 13 45.4900 0.3 . 1 . . . . . 136 LEU CB . 26336 1 1209 . 1 . 1 112 112 LEU CD1 C 13 23.8800 0.3 . 2 . . . . . 136 LEU CD1 . 26336 1 1210 . 1 . 1 112 112 LEU CD2 C 13 26.2900 0.3 . 2 . . . . . 136 LEU CD2 . 26336 1 1211 . 1 . 1 112 112 LEU CG C 13 26.9100 0.3 . 1 . . . . . 136 LEU CG . 26336 1 1212 . 1 . 1 112 112 LEU N N 15 127.6500 0.3 . 1 . . . . . 136 LEU N . 26336 1 1213 . 1 . 1 113 113 ARG H H 1 8.6900 0.02 . 1 . . . . . 137 ARG HN . 26336 1 1214 . 1 . 1 113 113 ARG HA H 1 5.3200 0.02 . 1 . . . . . 137 ARG HA . 26336 1 1215 . 1 . 1 113 113 ARG HB2 H 1 1.8000 0.02 . 2 . . . . . 137 ARG HB2 . 26336 1 1216 . 1 . 1 113 113 ARG HB3 H 1 1.6900 0.02 . 2 . . . . . 137 ARG HB3 . 26336 1 1217 . 1 . 1 113 113 ARG HD2 H 1 3.2000 0.02 . 2 . . . . . 137 ARG HD2 . 26336 1 1218 . 1 . 1 113 113 ARG HG2 H 1 1.5400 0.02 . 2 . . . . . 137 ARG HG2 . 26336 1 1219 . 1 . 1 113 113 ARG C C 13 173.3300 0.3 . 1 . . . . . 137 ARG C . 26336 1 1220 . 1 . 1 113 113 ARG CA C 13 52.7000 0.3 . 1 . . . . . 137 ARG CA . 26336 1 1221 . 1 . 1 113 113 ARG CB C 13 30.8500 0.3 . 1 . . . . . 137 ARG CB . 26336 1 1222 . 1 . 1 113 113 ARG CD C 13 43.3400 0.3 . 1 . . . . . 137 ARG CD . 26336 1 1223 . 1 . 1 113 113 ARG CG C 13 27.0700 0.3 . 1 . . . . . 137 ARG CG . 26336 1 1224 . 1 . 1 113 113 ARG N N 15 121.6400 0.3 . 1 . . . . . 137 ARG N . 26336 1 1225 . 1 . 1 114 114 PRO HA H 1 4.4300 0.02 . 1 . . . . . 138 PRO HA . 26336 1 1226 . 1 . 1 114 114 PRO HB2 H 1 1.3200 0.02 . 2 . . . . . 138 PRO HB2 . 26336 1 1227 . 1 . 1 114 114 PRO HD2 H 1 3.3550 0.02 . 2 . . . . . 138 PRO HD2 . 26336 1 1228 . 1 . 1 114 114 PRO HD3 H 1 3.2120 0.02 . 2 . . . . . 138 PRO HD3 . 26336 1 1229 . 1 . 1 114 114 PRO C C 13 175.0600 0.3 . 1 . . . . . 138 PRO C . 26336 1 1230 . 1 . 1 114 114 PRO CA C 13 62.2400 0.3 . 1 . . . . . 138 PRO CA . 26336 1 1231 . 1 . 1 114 114 PRO CB C 13 32.3400 0.3 . 1 . . . . . 138 PRO CB . 26336 1 1232 . 1 . 1 114 114 PRO CD C 13 49.7300 0.3 . 1 . . . . . 138 PRO CD . 26336 1 1233 . 1 . 1 114 114 PRO CG C 13 26.8500 0.3 . 1 . . . . . 138 PRO CG . 26336 1 1234 . 1 . 1 115 115 LYS H H 1 8.8900 0.02 . 1 . . . . . 139 LYS HN . 26336 1 1235 . 1 . 1 115 115 LYS HA H 1 4.4700 0.02 . 1 . . . . . 139 LYS HA . 26336 1 1236 . 1 . 1 115 115 LYS HB2 H 1 2.2200 0.02 . 2 . . . . . 139 LYS HB2 . 26336 1 1237 . 1 . 1 115 115 LYS HB3 H 1 1.8900 0.02 . 2 . . . . . 139 LYS HB3 . 26336 1 1238 . 1 . 1 115 115 LYS HD3 H 1 1.8300 0.02 . 2 . . . . . 139 LYS HD3 . 26336 1 1239 . 1 . 1 115 115 LYS HG2 H 1 1.9200 0.02 . 2 . . . . . 139 LYS HG2 . 26336 1 1240 . 1 . 1 115 115 LYS C C 13 176.7100 0.3 . 1 . . . . . 139 LYS C . 26336 1 1241 . 1 . 1 115 115 LYS CA C 13 55.3900 0.3 . 1 . . . . . 139 LYS CA . 26336 1 1242 . 1 . 1 115 115 LYS CB C 13 32.9100 0.3 . 1 . . . . . 139 LYS CB . 26336 1 1243 . 1 . 1 115 115 LYS CD C 13 31.7100 0.3 . 1 . . . . . 139 LYS CD . 26336 1 1244 . 1 . 1 115 115 LYS CG C 13 24.7100 0.3 . 1 . . . . . 139 LYS CG . 26336 1 1245 . 1 . 1 115 115 LYS N N 15 121.7800 0.3 . 1 . . . . . 139 LYS N . 26336 1 1246 . 1 . 1 116 116 LEU H H 1 8.5400 0.02 . 1 . . . . . 140 LEU HN . 26336 1 1247 . 1 . 1 116 116 LEU HA H 1 4.6560 0.02 . 1 . . . . . 140 LEU HA . 26336 1 1248 . 1 . 1 116 116 LEU HB2 H 1 1.7500 0.02 . 2 . . . . . 140 LEU HB2 . 26336 1 1249 . 1 . 1 116 116 LEU HB3 H 1 1.6100 0.02 . 2 . . . . . 140 LEU HB3 . 26336 1 1250 . 1 . 1 116 116 LEU HD11 H 1 0.9500 0.02 . 2 . . . . . 140 LEU HD1# . 26336 1 1251 . 1 . 1 116 116 LEU HD12 H 1 0.9500 0.02 . 2 . . . . . 140 LEU HD1# . 26336 1 1252 . 1 . 1 116 116 LEU HD13 H 1 0.9500 0.02 . 2 . . . . . 140 LEU HD1# . 26336 1 1253 . 1 . 1 116 116 LEU HD21 H 1 0.8800 0.02 . 2 . . . . . 140 LEU HD2# . 26336 1 1254 . 1 . 1 116 116 LEU HD22 H 1 0.8800 0.02 . 2 . . . . . 140 LEU HD2# . 26336 1 1255 . 1 . 1 116 116 LEU HD23 H 1 0.8800 0.02 . 2 . . . . . 140 LEU HD2# . 26336 1 1256 . 1 . 1 116 116 LEU HG H 1 1.7700 0.02 . 1 . . . . . 140 LEU HG . 26336 1 1257 . 1 . 1 116 116 LEU C C 13 177.6400 0.3 . 1 . . . . . 140 LEU C . 26336 1 1258 . 1 . 1 116 116 LEU CA C 13 54.1300 0.3 . 1 . . . . . 140 LEU CA . 26336 1 1259 . 1 . 1 116 116 LEU CB C 13 42.1200 0.3 . 1 . . . . . 140 LEU CB . 26336 1 1260 . 1 . 1 116 116 LEU CD1 C 13 23.6700 0.3 . 2 . . . . . 140 LEU CD1 . 26336 1 1261 . 1 . 1 116 116 LEU CD2 C 13 25.5400 0.3 . 2 . . . . . 140 LEU CD2 . 26336 1 1262 . 1 . 1 116 116 LEU CG C 13 26.9200 0.3 . 1 . . . . . 140 LEU CG . 26336 1 1263 . 1 . 1 116 116 LEU N N 15 125.9300 0.3 . 1 . . . . . 140 LEU N . 26336 1 1264 . 1 . 1 117 117 ILE H H 1 8.2000 0.02 . 1 . . . . . 141 ILE HN . 26336 1 1265 . 1 . 1 117 117 ILE HA H 1 4.1300 0.02 . 1 . . . . . 141 ILE HA . 26336 1 1266 . 1 . 1 117 117 ILE HB H 1 1.8900 0.02 . 1 . . . . . 141 ILE HB . 26336 1 1267 . 1 . 1 117 117 ILE HD11 H 1 0.6500 0.02 . 1 . . . . . 141 ILE HD1# . 26336 1 1268 . 1 . 1 117 117 ILE HD12 H 1 0.6500 0.02 . 1 . . . . . 141 ILE HD1# . 26336 1 1269 . 1 . 1 117 117 ILE HD13 H 1 0.6500 0.02 . 1 . . . . . 141 ILE HD1# . 26336 1 1270 . 1 . 1 117 117 ILE HG12 H 1 1.2600 0.02 . 2 . . . . . 141 ILE HG12 . 26336 1 1271 . 1 . 1 117 117 ILE HG13 H 1 1.0500 0.02 . 2 . . . . . 141 ILE HG13 . 26336 1 1272 . 1 . 1 117 117 ILE HG21 H 1 0.4600 0.02 . 1 . . . . . 141 ILE HG2# . 26336 1 1273 . 1 . 1 117 117 ILE HG22 H 1 0.4600 0.02 . 1 . . . . . 141 ILE HG2# . 26336 1 1274 . 1 . 1 117 117 ILE HG23 H 1 0.4600 0.02 . 1 . . . . . 141 ILE HG2# . 26336 1 1275 . 1 . 1 117 117 ILE C C 13 177.1500 0.3 . 1 . . . . . 141 ILE C . 26336 1 1276 . 1 . 1 117 117 ILE CA C 13 61.0200 0.3 . 1 . . . . . 141 ILE CA . 26336 1 1277 . 1 . 1 117 117 ILE CB C 13 38.5600 0.3 . 1 . . . . . 141 ILE CB . 26336 1 1278 . 1 . 1 117 117 ILE CD1 C 13 14.7100 0.3 . 1 . . . . . 141 ILE CD1 . 26336 1 1279 . 1 . 1 117 117 ILE CG1 C 13 28.0700 0.3 . 1 . . . . . 141 ILE CG1 . 26336 1 1280 . 1 . 1 117 117 ILE CG2 C 13 18.1100 0.3 . 1 . . . . . 141 ILE CG2 . 26336 1 1281 . 1 . 1 117 117 ILE N N 15 122.7000 0.3 . 1 . . . . . 141 ILE N . 26336 1 1282 . 1 . 1 118 118 ASP H H 1 8.5200 0.02 . 1 . . . . . 142 ASP HN . 26336 1 1283 . 1 . 1 118 118 ASP HA H 1 4.6200 0.02 . 1 . . . . . 142 ASP HA . 26336 1 1284 . 1 . 1 118 118 ASP HB2 H 1 2.7300 0.02 . 2 . . . . . 142 ASP HB2 . 26336 1 1285 . 1 . 1 118 118 ASP C C 13 175.4700 0.3 . 1 . . . . . 142 ASP C . 26336 1 1286 . 1 . 1 118 118 ASP CA C 13 54.0400 0.3 . 1 . . . . . 142 ASP CA . 26336 1 1287 . 1 . 1 118 118 ASP CB C 13 41.1400 0.3 . 1 . . . . . 142 ASP CB . 26336 1 1288 . 1 . 1 118 118 ASP N N 15 124.9800 0.3 . 1 . . . . . 142 ASP N . 26336 1 1289 . 1 . 1 119 119 ALA H H 1 8.4000 0.02 . 1 . . . . . 143 ALA HN . 26336 1 1290 . 1 . 1 119 119 ALA HA H 1 4.4300 0.02 . 1 . . . . . 143 ALA HA . 26336 1 1291 . 1 . 1 119 119 ALA HB1 H 1 1.4200 0.02 . 1 . . . . . 143 ALA HB# . 26336 1 1292 . 1 . 1 119 119 ALA HB2 H 1 1.4200 0.02 . 1 . . . . . 143 ALA HB# . 26336 1 1293 . 1 . 1 119 119 ALA HB3 H 1 1.4200 0.02 . 1 . . . . . 143 ALA HB# . 26336 1 1294 . 1 . 1 119 119 ALA C C 13 177.5000 0.3 . 1 . . . . . 143 ALA C . 26336 1 1295 . 1 . 1 119 119 ALA CA C 13 52.0300 0.3 . 1 . . . . . 143 ALA CA . 26336 1 1296 . 1 . 1 119 119 ALA CB C 13 19.2300 0.3 . 1 . . . . . 143 ALA CB . 26336 1 1297 . 1 . 1 119 119 ALA N N 15 125.5400 0.3 . 1 . . . . . 143 ALA N . 26336 1 1298 . 1 . 1 120 120 THR H H 1 8.3400 0.02 . 1 . . . . . 144 THR HN . 26336 1 1299 . 1 . 1 120 120 THR HA H 1 4.5500 0.02 . 1 . . . . . 144 THR HA . 26336 1 1300 . 1 . 1 120 120 THR HB H 1 4.1900 0.02 . 1 . . . . . 144 THR HB . 26336 1 1301 . 1 . 1 120 120 THR HG21 H 1 1.2800 0.02 . 1 . . . . . 144 THR HG2# . 26336 1 1302 . 1 . 1 120 120 THR HG22 H 1 1.2800 0.02 . 1 . . . . . 144 THR HG2# . 26336 1 1303 . 1 . 1 120 120 THR HG23 H 1 1.2800 0.02 . 1 . . . . . 144 THR HG2# . 26336 1 1304 . 1 . 1 120 120 THR C C 13 173.0200 0.3 . 1 . . . . . 144 THR C . 26336 1 1305 . 1 . 1 120 120 THR CA C 13 60.0700 0.3 . 1 . . . . . 144 THR CA . 26336 1 1306 . 1 . 1 120 120 THR CB C 13 69.5800 0.3 . 1 . . . . . 144 THR CB . 26336 1 1307 . 1 . 1 120 120 THR CG2 C 13 21.2600 0.3 . 1 . . . . . 144 THR CG2 . 26336 1 1308 . 1 . 1 120 120 THR N N 15 116.5200 0.3 . 1 . . . . . 144 THR N . 26336 1 1309 . 1 . 1 121 121 PRO HA H 1 4.4400 0.02 . 1 . . . . . 145 PRO HA . 26336 1 1310 . 1 . 1 121 121 PRO HB2 H 1 2.3300 0.02 . 2 . . . . . 145 PRO HB2 . 26336 1 1311 . 1 . 1 121 121 PRO HB3 H 1 1.9800 0.02 . 2 . . . . . 145 PRO HB3 . 26336 1 1312 . 1 . 1 121 121 PRO HD2 H 1 3.9100 0.02 . 2 . . . . . 145 PRO HD2 . 26336 1 1313 . 1 . 1 121 121 PRO HD3 H 1 3.7300 0.02 . 2 . . . . . 145 PRO HD3 . 26336 1 1314 . 1 . 1 121 121 PRO HG2 H 1 2.0600 0.02 . 2 . . . . . 145 PRO HG2 . 26336 1 1315 . 1 . 1 121 121 PRO C C 13 177.4700 0.3 . 1 . . . . . 145 PRO C . 26336 1 1316 . 1 . 1 121 121 PRO CA C 13 63.2600 0.3 . 1 . . . . . 145 PRO CA . 26336 1 1317 . 1 . 1 121 121 PRO CB C 13 31.9700 0.3 . 1 . . . . . 145 PRO CB . 26336 1 1318 . 1 . 1 121 121 PRO CD C 13 50.9700 0.3 . 1 . . . . . 145 PRO CD . 26336 1 1319 . 1 . 1 121 121 PRO CG C 13 27.2500 0.3 . 1 . . . . . 145 PRO CG . 26336 1 1320 . 1 . 1 122 122 GLY H H 1 8.5200 0.02 . 1 . . . . . 146 GLY HN . 26336 1 1321 . 1 . 1 122 122 GLY HA2 H 1 3.9600 0.02 . 2 . . . . . 146 GLY HA2 . 26336 1 1322 . 1 . 1 122 122 GLY HA3 H 1 3.9100 0.02 . 2 . . . . . 146 GLY HA3 . 26336 1 1323 . 1 . 1 122 122 GLY C C 13 173.4500 0.3 . 1 . . . . . 146 GLY C . 26336 1 1324 . 1 . 1 122 122 GLY CA C 13 44.8800 0.3 . 1 . . . . . 146 GLY CA . 26336 1 1325 . 1 . 1 122 122 GLY N N 15 109.5400 0.3 . 1 . . . . . 146 GLY N . 26336 1 1326 . 1 . 1 123 123 ALA H H 1 8.1400 0.02 . 1 . . . . . 147 ALA HN . 26336 1 1327 . 1 . 1 123 123 ALA HA H 1 4.6400 0.02 . 1 . . . . . 147 ALA HA . 26336 1 1328 . 1 . 1 123 123 ALA HB1 H 1 1.4200 0.02 . 1 . . . . . 147 ALA HB# . 26336 1 1329 . 1 . 1 123 123 ALA HB2 H 1 1.4200 0.02 . 1 . . . . . 147 ALA HB# . 26336 1 1330 . 1 . 1 123 123 ALA HB3 H 1 1.4200 0.02 . 1 . . . . . 147 ALA HB# . 26336 1 1331 . 1 . 1 123 123 ALA C C 13 175.6100 0.3 . 1 . . . . . 147 ALA C . 26336 1 1332 . 1 . 1 123 123 ALA CA C 13 50.3800 0.3 . 1 . . . . . 147 ALA CA . 26336 1 1333 . 1 . 1 123 123 ALA CB C 13 18.1700 0.3 . 1 . . . . . 147 ALA CB . 26336 1 1334 . 1 . 1 123 123 ALA N N 15 124.8300 0.3 . 1 . . . . . 147 ALA N . 26336 1 1335 . 1 . 1 124 124 PRO HA H 1 4.4400 0.02 . 1 . . . . . 148 PRO HA . 26336 1 1336 . 1 . 1 124 124 PRO HB2 H 1 2.2800 0.02 . 2 . . . . . 148 PRO HB2 . 26336 1 1337 . 1 . 1 124 124 PRO HB3 H 1 1.9100 0.02 . 2 . . . . . 148 PRO HB3 . 26336 1 1338 . 1 . 1 124 124 PRO HD2 H 1 3.8200 0.02 . 2 . . . . . 148 PRO HD2 . 26336 1 1339 . 1 . 1 124 124 PRO HD3 H 1 3.6500 0.02 . 2 . . . . . 148 PRO HD3 . 26336 1 1340 . 1 . 1 124 124 PRO HG2 H 1 2.0000 0.02 . 2 . . . . . 148 PRO HG2 . 26336 1 1341 . 1 . 1 124 124 PRO C C 13 176.6300 0.3 . 1 . . . . . 148 PRO C . 26336 1 1342 . 1 . 1 124 124 PRO CA C 13 63.1000 0.3 . 1 . . . . . 148 PRO CA . 26336 1 1343 . 1 . 1 124 124 PRO CB C 13 32.0000 0.3 . 1 . . . . . 148 PRO CB . 26336 1 1344 . 1 . 1 124 124 PRO CD C 13 50.3400 0.3 . 1 . . . . . 148 PRO CD . 26336 1 1345 . 1 . 1 124 124 PRO CG C 13 27.2000 0.3 . 1 . . . . . 148 PRO CG . 26336 1 1346 . 1 . 1 125 125 ASN H H 1 8.5800 0.02 . 1 . . . . . 149 ASN HN . 26336 1 1347 . 1 . 1 125 125 ASN HA H 1 4.7900 0.02 . 1 . . . . . 149 ASN HA . 26336 1 1348 . 1 . 1 125 125 ASN HB2 H 1 2.8700 0.02 . 2 . . . . . 149 ASN HB2 . 26336 1 1349 . 1 . 1 125 125 ASN HB3 H 1 2.7830 0.02 . 2 . . . . . 149 ASN HB3 . 26336 1 1350 . 1 . 1 125 125 ASN C C 13 174.7600 0.3 . 1 . . . . . 149 ASN C . 26336 1 1351 . 1 . 1 125 125 ASN CA C 13 53.1600 0.3 . 1 . . . . . 149 ASN CA . 26336 1 1352 . 1 . 1 125 125 ASN CB C 13 38.7800 0.3 . 1 . . . . . 149 ASN CB . 26336 1 1353 . 1 . 1 125 125 ASN N N 15 119.0900 0.3 . 1 . . . . . 149 ASN N . 26336 1 1354 . 1 . 1 125 125 ASN ND2 N 15 117.5900 0.3 . 1 . . . . . 149 ASN ND2 . 26336 1 1355 . 1 . 1 126 126 VAL H H 1 7.6700 0.02 . 1 . . . . . 150 VAL HN . 26336 1 1356 . 1 . 1 126 126 VAL HA H 1 4.2400 0.02 . 1 . . . . . 150 VAL HA . 26336 1 1357 . 1 . 1 126 126 VAL HB H 1 2.0700 0.02 . 1 . . . . . 150 VAL HB . 26336 1 1358 . 1 . 1 126 126 VAL HG11 H 1 0.9300 0.02 . 2 . . . . . 150 VAL HG1# . 26336 1 1359 . 1 . 1 126 126 VAL HG12 H 1 0.9300 0.02 . 2 . . . . . 150 VAL HG1# . 26336 1 1360 . 1 . 1 126 126 VAL HG13 H 1 0.9300 0.02 . 2 . . . . . 150 VAL HG1# . 26336 1 1361 . 1 . 1 126 126 VAL HG21 H 1 0.9100 0.02 . 2 . . . . . 150 VAL HG2# . 26336 1 1362 . 1 . 1 126 126 VAL HG22 H 1 0.9100 0.02 . 2 . . . . . 150 VAL HG2# . 26336 1 1363 . 1 . 1 126 126 VAL HG23 H 1 0.9100 0.02 . 2 . . . . . 150 VAL HG2# . 26336 1 1364 . 1 . 1 126 126 VAL C C 13 174.2600 0.3 . 1 . . . . . 150 VAL C . 26336 1 1365 . 1 . 1 126 126 VAL CA C 13 63.4900 0.3 . 1 . . . . . 150 VAL CA . 26336 1 1366 . 1 . 1 126 126 VAL CB C 13 33.2900 0.3 . 1 . . . . . 150 VAL CB . 26336 1 1367 . 1 . 1 126 126 VAL CG1 C 13 21.5300 0.3 . 2 . . . . . 150 VAL CG1 . 26336 1 1368 . 1 . 1 126 126 VAL CG2 C 13 19.9500 0.3 . 2 . . . . . 150 VAL CG2 . 26336 1 1369 . 1 . 1 126 126 VAL N N 15 123.5800 0.3 . 1 . . . . . 150 VAL N . 26336 1 stop_ save_