data_15735 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15735 _Entry.Title ; truncated AcrA from Campylobacter jejuni for glycosylation studies ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-17 _Entry.Accession_date 2008-04-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Structure an chemical shifts of truncated AcrA from Campylobacter jejuni for glycosylation studies ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Vadim Slynko . . . 15735 2 Mario Schubert . . . 15735 3 Shin Numao . . . 15735 4 Michael Kowarik . . . 15735 5 Markus Aebi . . . 15735 6 Frederic Allain . . . 15735 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15735 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'nonglycosylated AcrA' . 15735 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15735 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 15735 '15N chemical shifts' 117 15735 '1H chemical shifts' 752 15735 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-02 2008-04-17 update BMRB 'edit assembly name' 15735 1 . . 2009-01-23 2008-04-17 original author 'original release' 15735 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15737 'AcrA(61-210DD), N-glycosylated form' 15735 PDB 2K32 'BMRB Entry Tracking System' 15735 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15735 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19154179 _Citation.Full_citation . _Citation.Title 'NMR structure determination of a segmentally labeled glycoprotein using in vitro glycosylation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 131 _Citation.Journal_issue 3 _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 1274 _Citation.Page_last 1281 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Vadim Slynko . . . 15735 1 2 Mario Schubert . . . 15735 1 3 Shin Numao . . . 15735 1 4 Michael Kowarik . . . 15735 1 5 Markus Aebi . . . 15735 1 6 Frederic Allain . . . 15735 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15735 _Assembly.ID 1 _Assembly.Name AcrA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $AcrA(61-210DD) A . yes native no no . . . 15735 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AcrA(61-210DD) _Entity.Sf_category entity _Entity.Sf_framecode AcrA(61-210DD) _Entity.Entry_ID 15735 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AcrA(61-210DD) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DVIIKPQVSGVIVNKLFKAG DKVKKGQTLFIIEQDQASKD FNRSKALFSQSAISQKEYDS SLATLDHTEIKAPFDGTIGD ALVNIGDYVSASTTELVRVT NLNPIYADGSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The construct consists of residues 61-210 of AcrA of C. jejuni with deletions of res. 97-117 and 146-166 and two mutations: K96Q K131Q. ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12748.376 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15737 . "AcrA (61-210DD)" . . . . . 100.00 116 100.00 100.00 5.30e-77 . . . . 15735 1 2 no PDB 2K32 . "Truncated Acra From Campylobacter Jejuni For Glycosylation Studies" . . . . . 100.00 116 100.00 100.00 5.30e-77 . . . . 15735 1 3 no PDB 2K33 . "Solution Structure Of An N-Glycosylated Protein Using In Vitro Glycosylation" . . . . . 100.00 116 100.00 100.00 5.30e-77 . . . . 15735 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 . ASP . 15735 1 2 . VAL . 15735 1 3 . ILE . 15735 1 4 . ILE . 15735 1 5 . LYS . 15735 1 6 . PRO . 15735 1 7 . GLN . 15735 1 8 . VAL . 15735 1 9 . SER . 15735 1 10 . GLY . 15735 1 11 . VAL . 15735 1 12 . ILE . 15735 1 13 . VAL . 15735 1 14 . ASN . 15735 1 15 . LYS . 15735 1 16 . LEU . 15735 1 17 . PHE . 15735 1 18 . LYS . 15735 1 19 . ALA . 15735 1 20 . GLY . 15735 1 21 . ASP . 15735 1 22 . LYS . 15735 1 23 . VAL . 15735 1 24 . LYS . 15735 1 25 . LYS . 15735 1 26 . GLY . 15735 1 27 . GLN . 15735 1 28 . THR . 15735 1 29 . LEU . 15735 1 30 . PHE . 15735 1 31 . ILE . 15735 1 32 . ILE . 15735 1 33 . GLU . 15735 1 34 . GLN . 15735 1 35 . ASP . 15735 1 36 . GLN . 15735 1 37 . ALA . 15735 1 38 . SER . 15735 1 39 . LYS . 15735 1 40 . ASP . 15735 1 41 . PHE . 15735 1 42 . ASN . 15735 1 43 . ARG . 15735 1 44 . SER . 15735 1 45 . LYS . 15735 1 46 . ALA . 15735 1 47 . LEU . 15735 1 48 . PHE . 15735 1 49 . SER . 15735 1 50 . GLN . 15735 1 51 . SER . 15735 1 52 . ALA . 15735 1 53 . ILE . 15735 1 54 . SER . 15735 1 55 . GLN . 15735 1 56 . LYS . 15735 1 57 . GLU . 15735 1 58 . TYR . 15735 1 59 . ASP . 15735 1 60 . SER . 15735 1 61 . SER . 15735 1 62 . LEU . 15735 1 63 . ALA . 15735 1 64 . THR . 15735 1 65 . LEU . 15735 1 66 . ASP . 15735 1 67 . HIS . 15735 1 68 . THR . 15735 1 69 . GLU . 15735 1 70 . ILE . 15735 1 71 . LYS . 15735 1 72 . ALA . 15735 1 73 . PRO . 15735 1 74 . PHE . 15735 1 75 . ASP . 15735 1 76 . GLY . 15735 1 77 . THR . 15735 1 78 . ILE . 15735 1 79 . GLY . 15735 1 80 . ASP . 15735 1 81 . ALA . 15735 1 82 . LEU . 15735 1 83 . VAL . 15735 1 84 . ASN . 15735 1 85 . ILE . 15735 1 86 . GLY . 15735 1 87 . ASP . 15735 1 88 . TYR . 15735 1 89 . VAL . 15735 1 90 . SER . 15735 1 91 . ALA . 15735 1 92 . SER . 15735 1 93 . THR . 15735 1 94 . THR . 15735 1 95 . GLU . 15735 1 96 . LEU . 15735 1 97 . VAL . 15735 1 98 . ARG . 15735 1 99 . VAL . 15735 1 100 . THR . 15735 1 101 . ASN . 15735 1 102 . LEU . 15735 1 103 . ASN . 15735 1 104 . PRO . 15735 1 105 . ILE . 15735 1 106 . TYR . 15735 1 107 . ALA . 15735 1 108 . ASP . 15735 1 109 . GLY . 15735 1 110 . SER . 15735 1 111 . HIS . 15735 1 112 . HIS . 15735 1 113 . HIS . 15735 1 114 . HIS . 15735 1 115 . HIS . 15735 1 116 . HIS . 15735 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 . ASP 1 1 15735 1 . VAL 2 2 15735 1 . ILE 3 3 15735 1 . ILE 4 4 15735 1 . LYS 5 5 15735 1 . PRO 6 6 15735 1 . GLN 7 7 15735 1 . VAL 8 8 15735 1 . SER 9 9 15735 1 . GLY 10 10 15735 1 . VAL 11 11 15735 1 . ILE 12 12 15735 1 . VAL 13 13 15735 1 . ASN 14 14 15735 1 . LYS 15 15 15735 1 . LEU 16 16 15735 1 . PHE 17 17 15735 1 . LYS 18 18 15735 1 . ALA 19 19 15735 1 . GLY 20 20 15735 1 . ASP 21 21 15735 1 . LYS 22 22 15735 1 . VAL 23 23 15735 1 . LYS 24 24 15735 1 . LYS 25 25 15735 1 . GLY 26 26 15735 1 . GLN 27 27 15735 1 . THR 28 28 15735 1 . LEU 29 29 15735 1 . PHE 30 30 15735 1 . ILE 31 31 15735 1 . ILE 32 32 15735 1 . GLU 33 33 15735 1 . GLN 34 34 15735 1 . ASP 35 35 15735 1 . GLN 36 36 15735 1 . ALA 37 37 15735 1 . SER 38 38 15735 1 . LYS 39 39 15735 1 . ASP 40 40 15735 1 . PHE 41 41 15735 1 . ASN 42 42 15735 1 . ARG 43 43 15735 1 . SER 44 44 15735 1 . LYS 45 45 15735 1 . ALA 46 46 15735 1 . LEU 47 47 15735 1 . PHE 48 48 15735 1 . SER 49 49 15735 1 . GLN 50 50 15735 1 . SER 51 51 15735 1 . ALA 52 52 15735 1 . ILE 53 53 15735 1 . SER 54 54 15735 1 . GLN 55 55 15735 1 . LYS 56 56 15735 1 . GLU 57 57 15735 1 . TYR 58 58 15735 1 . ASP 59 59 15735 1 . SER 60 60 15735 1 . SER 61 61 15735 1 . LEU 62 62 15735 1 . ALA 63 63 15735 1 . THR 64 64 15735 1 . LEU 65 65 15735 1 . ASP 66 66 15735 1 . HIS 67 67 15735 1 . THR 68 68 15735 1 . GLU 69 69 15735 1 . ILE 70 70 15735 1 . LYS 71 71 15735 1 . ALA 72 72 15735 1 . PRO 73 73 15735 1 . PHE 74 74 15735 1 . ASP 75 75 15735 1 . GLY 76 76 15735 1 . THR 77 77 15735 1 . ILE 78 78 15735 1 . GLY 79 79 15735 1 . ASP 80 80 15735 1 . ALA 81 81 15735 1 . LEU 82 82 15735 1 . VAL 83 83 15735 1 . ASN 84 84 15735 1 . ILE 85 85 15735 1 . GLY 86 86 15735 1 . ASP 87 87 15735 1 . TYR 88 88 15735 1 . VAL 89 89 15735 1 . SER 90 90 15735 1 . ALA 91 91 15735 1 . SER 92 92 15735 1 . THR 93 93 15735 1 . THR 94 94 15735 1 . GLU 95 95 15735 1 . LEU 96 96 15735 1 . VAL 97 97 15735 1 . ARG 98 98 15735 1 . VAL 99 99 15735 1 . THR 100 100 15735 1 . ASN 101 101 15735 1 . LEU 102 102 15735 1 . ASN 103 103 15735 1 . PRO 104 104 15735 1 . ILE 105 105 15735 1 . TYR 106 106 15735 1 . ALA 107 107 15735 1 . ASP 108 108 15735 1 . GLY 109 109 15735 1 . SER 110 110 15735 1 . HIS 111 111 15735 1 . HIS 112 112 15735 1 . HIS 113 113 15735 1 . HIS 114 114 15735 1 . HIS 115 115 15735 1 . HIS 116 116 15735 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15735 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AcrA(61-210DD) . 197 organism . 'Campylobacter jejuni' 'Campylobacter jejuni' . . Bacteria . Campylobacter jejuni . . . . . . . . . . . . . . . . . . . . . 15735 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15735 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AcrA(61-210DD) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET24b . . . . . . 15735 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15735 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N sample H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AcrA(61-210DD) '[U-100% 15N]' . . 1 $AcrA(61-210DD) . . 1 . . mM . . . . 15735 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15735 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15735 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AcrA(61-210DD) '[U-100% 13C; U-100% 15N]' . . 1 $AcrA(61-210DD) . . 1 . . mM . . . . 15735 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15735 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15735 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AcrA(61-210DD) '[U-100% 15N]' . . 1 $AcrA(61-210DD) . . 1 . . mM . . . . 15735 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15735 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15735 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 15735 1 pH 6.4 . pH 15735 1 pressure 1 . atm 15735 1 temperature 303 . K 15735 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15735 _Software.ID 1 _Software.Name AMBER _Software.Version 8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 15735 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15735 1 stop_ save_ save_ATNOSCANDID _Software.Sf_category software _Software.Sf_framecode ATNOSCANDID _Software.Entry_ID 15735 _Software.ID 2 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert, Wuthrich' . . 15735 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15735 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15735 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15735 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15735 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15735 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15735 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15735 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15735 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15735 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15735 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15735 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15735 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 15735 1 2 spectrometer_2 Bruker Avance . 750 . . . 15735 1 3 spectrometer_3 Bruker Avance . 600 . . . 15735 1 4 spectrometer_4 Bruker Avance . 500 . . . 15735 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15735 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15735 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15735 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15735 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15735 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15735 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15735 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15735 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15735 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15735 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15735 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15735 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15735 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15735 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15735 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15735 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15735 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 15735 1 2 '2D 1H-13C HSQC' . . . 15735 1 3 '2D 1H-1H NOESY' . . . 15735 1 4 '2D 1H-1H NOESY' . . . 15735 1 5 '3D HNCACB' . . . 15735 1 6 '3D HNCA' . . . 15735 1 7 '3D HN(CO)CA' . . . 15735 1 8 '2D 1H-15N HSQC' . . . 15735 1 9 '3D HCCH-TOCSY' . . . 15735 1 10 '3D 1H-13C NOESY' . . . 15735 1 11 '3D 1H-15N NOESY' . . . 15735 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP CA C 13 54.294 0.200 . 1 . . . . 1 D CA . 15735 1 2 . 1 1 2 2 VAL H H 1 8.608 0.005 . 1 . . . . 2 V HN . 15735 1 3 . 1 1 2 2 VAL HA H 1 4.472 0.020 . 1 . . . . 2 V HA . 15735 1 4 . 1 1 2 2 VAL HB H 1 2.007 0.004 . 1 . . . . 2 V HB . 15735 1 5 . 1 1 2 2 VAL HG11 H 1 0.930 0.001 . 2 . . . . 2 V HG1 . 15735 1 6 . 1 1 2 2 VAL HG12 H 1 0.930 0.001 . 2 . . . . 2 V HG1 . 15735 1 7 . 1 1 2 2 VAL HG13 H 1 0.930 0.001 . 2 . . . . 2 V HG1 . 15735 1 8 . 1 1 2 2 VAL HG21 H 1 0.839 0.003 . 2 . . . . 2 V HG2 . 15735 1 9 . 1 1 2 2 VAL HG22 H 1 0.839 0.003 . 2 . . . . 2 V HG2 . 15735 1 10 . 1 1 2 2 VAL HG23 H 1 0.839 0.003 . 2 . . . . 2 V HG2 . 15735 1 11 . 1 1 2 2 VAL CA C 13 61.161 0.011 . 1 . . . . 2 V CA . 15735 1 12 . 1 1 2 2 VAL CB C 13 35.825 0.200 . 1 . . . . 2 V CB . 15735 1 13 . 1 1 2 2 VAL CG1 C 13 21.611 0.005 . 2 . . . . 2 V CG1 . 15735 1 14 . 1 1 2 2 VAL CG2 C 13 21.236 0.054 . 2 . . . . 2 V CG2 . 15735 1 15 . 1 1 2 2 VAL N N 15 117.995 0.011 . 1 . . . . 2 V N . 15735 1 16 . 1 1 3 3 ILE H H 1 8.424 0.003 . 1 . . . . 3 I HN . 15735 1 17 . 1 1 3 3 ILE HA H 1 4.489 0.012 . 1 . . . . 3 I HA . 15735 1 18 . 1 1 3 3 ILE HB H 1 1.693 0.002 . 1 . . . . 3 I HB . 15735 1 19 . 1 1 3 3 ILE HD11 H 1 0.753 0.002 . 1 . . . . 3 I HD1 . 15735 1 20 . 1 1 3 3 ILE HD12 H 1 0.753 0.002 . 1 . . . . 3 I HD1 . 15735 1 21 . 1 1 3 3 ILE HD13 H 1 0.753 0.002 . 1 . . . . 3 I HD1 . 15735 1 22 . 1 1 3 3 ILE HG12 H 1 1.476 0.005 . 2 . . . . 3 I HG12 . 15735 1 23 . 1 1 3 3 ILE HG13 H 1 0.875 0.002 . 2 . . . . 3 I HG13 . 15735 1 24 . 1 1 3 3 ILE HG21 H 1 0.683 0.004 . 1 . . . . 3 I HG2 . 15735 1 25 . 1 1 3 3 ILE HG22 H 1 0.683 0.004 . 1 . . . . 3 I HG2 . 15735 1 26 . 1 1 3 3 ILE HG23 H 1 0.683 0.004 . 1 . . . . 3 I HG2 . 15735 1 27 . 1 1 3 3 ILE CA C 13 60.273 0.037 . 1 . . . . 3 I CA . 15735 1 28 . 1 1 3 3 ILE CB C 13 38.595 0.200 . 1 . . . . 3 I CB . 15735 1 29 . 1 1 3 3 ILE CD1 C 13 13.201 0.005 . 1 . . . . 3 I CD1 . 15735 1 30 . 1 1 3 3 ILE CG1 C 13 28.090 0.019 . 1 . . . . 3 I CG1 . 15735 1 31 . 1 1 3 3 ILE CG2 C 13 18.202 0.200 . 1 . . . . 3 I CG2 . 15735 1 32 . 1 1 3 3 ILE N N 15 125.647 0.046 . 1 . . . . 3 I N . 15735 1 33 . 1 1 4 4 ILE H H 1 8.531 0.005 . 1 . . . . 4 I HN . 15735 1 34 . 1 1 4 4 ILE HA H 1 3.990 0.020 . 1 . . . . 4 I HA . 15735 1 35 . 1 1 4 4 ILE HB H 1 1.723 0.020 . 1 . . . . 4 I HB . 15735 1 36 . 1 1 4 4 ILE HD11 H 1 0.468 0.020 . 1 . . . . 4 I HD1 . 15735 1 37 . 1 1 4 4 ILE HD12 H 1 0.468 0.020 . 1 . . . . 4 I HD1 . 15735 1 38 . 1 1 4 4 ILE HD13 H 1 0.468 0.020 . 1 . . . . 4 I HD1 . 15735 1 39 . 1 1 4 4 ILE HG12 H 1 1.301 0.020 . 2 . . . . 4 I HG12 . 15735 1 40 . 1 1 4 4 ILE HG13 H 1 1.025 0.020 . 2 . . . . 4 I HG13 . 15735 1 41 . 1 1 4 4 ILE HG21 H 1 0.710 0.020 . 1 . . . . 4 I HG2 . 15735 1 42 . 1 1 4 4 ILE HG22 H 1 0.710 0.020 . 1 . . . . 4 I HG2 . 15735 1 43 . 1 1 4 4 ILE HG23 H 1 0.710 0.020 . 1 . . . . 4 I HG2 . 15735 1 44 . 1 1 4 4 ILE CA C 13 61.656 0.018 . 1 . . . . 4 I CA . 15735 1 45 . 1 1 4 4 ILE CB C 13 38.183 0.200 . 1 . . . . 4 I CB . 15735 1 46 . 1 1 4 4 ILE CD1 C 13 13.150 0.200 . 1 . . . . 4 I CD1 . 15735 1 47 . 1 1 4 4 ILE CG1 C 13 27.648 0.006 . 1 . . . . 4 I CG1 . 15735 1 48 . 1 1 4 4 ILE CG2 C 13 17.489 0.200 . 1 . . . . 4 I CG2 . 15735 1 49 . 1 1 4 4 ILE N N 15 127.472 0.055 . 1 . . . . 4 I N . 15735 1 50 . 1 1 5 5 LYS H H 1 8.277 0.006 . 1 . . . . 5 K HN . 15735 1 51 . 1 1 5 5 LYS HA H 1 5.164 0.003 . 1 . . . . 5 K HA . 15735 1 52 . 1 1 5 5 LYS HB2 H 1 1.432 0.006 . 2 . . . . 5 K HB2 . 15735 1 53 . 1 1 5 5 LYS HB3 H 1 1.380 0.004 . 2 . . . . 5 K HB3 . 15735 1 54 . 1 1 5 5 LYS HD2 H 1 1.350 0.002 . 2 . . . . 5 K HD2 . 15735 1 55 . 1 1 5 5 LYS HD3 H 1 1.305 0.001 . 2 . . . . 5 K HD3 . 15735 1 56 . 1 1 5 5 LYS HE2 H 1 2.751 0.001 . 2 . . . . 5 K HE2 . 15735 1 57 . 1 1 5 5 LYS HE3 H 1 2.750 0.020 . 2 . . . . 5 K HE3 . 15735 1 58 . 1 1 5 5 LYS HG2 H 1 1.237 0.001 . 2 . . . . 5 K HG2 . 15735 1 59 . 1 1 5 5 LYS HG3 H 1 1.122 0.001 . 2 . . . . 5 K HG3 . 15735 1 60 . 1 1 5 5 LYS CA C 13 53.440 0.045 . 1 . . . . 5 K CA . 15735 1 61 . 1 1 5 5 LYS CB C 13 33.808 0.048 . 1 . . . . 5 K CB . 15735 1 62 . 1 1 5 5 LYS CD C 13 29.544 0.051 . 1 . . . . 5 K CD . 15735 1 63 . 1 1 5 5 LYS CE C 13 42.686 0.064 . 1 . . . . 5 K CE . 15735 1 64 . 1 1 5 5 LYS CG C 13 25.526 0.048 . 1 . . . . 5 K CG . 15735 1 65 . 1 1 5 5 LYS N N 15 126.697 0.036 . 1 . . . . 5 K N . 15735 1 66 . 1 1 6 6 PRO HA H 1 4.370 0.003 . 1 . . . . 6 P HA . 15735 1 67 . 1 1 6 6 PRO HB2 H 1 2.404 0.004 . 2 . . . . 6 P HB2 . 15735 1 68 . 1 1 6 6 PRO HB3 H 1 1.742 0.005 . 2 . . . . 6 P HB3 . 15735 1 69 . 1 1 6 6 PRO HD2 H 1 3.905 0.006 . 2 . . . . 6 P HD2 . 15735 1 70 . 1 1 6 6 PRO HD3 H 1 3.709 0.005 . 2 . . . . 6 P HD3 . 15735 1 71 . 1 1 6 6 PRO HG2 H 1 1.998 0.020 . 2 . . . . 6 P HG2 . 15735 1 72 . 1 1 6 6 PRO HG3 H 1 1.559 0.020 . 2 . . . . 6 P HG3 . 15735 1 73 . 1 1 6 6 PRO CA C 13 62.493 0.073 . 1 . . . . 6 P CA . 15735 1 74 . 1 1 6 6 PRO CB C 13 32.091 0.059 . 1 . . . . 6 P CB . 15735 1 75 . 1 1 6 6 PRO CD C 13 50.288 0.094 . 1 . . . . 6 P CD . 15735 1 76 . 1 1 6 6 PRO CG C 13 26.910 0.025 . 1 . . . . 6 P CG . 15735 1 77 . 1 1 7 7 GLN H H 1 9.334 0.007 . 1 . . . . 7 Q HN . 15735 1 78 . 1 1 7 7 GLN HA H 1 4.348 0.077 . 1 . . . . 7 Q HA . 15735 1 79 . 1 1 7 7 GLN HB2 H 1 2.137 0.003 . 2 . . . . 7 Q HB2 . 15735 1 80 . 1 1 7 7 GLN HB3 H 1 1.996 0.001 . 2 . . . . 7 Q HB3 . 15735 1 81 . 1 1 7 7 GLN HE21 H 1 7.527 0.001 . 2 . . . . 7 Q HE21 . 15735 1 82 . 1 1 7 7 GLN HE22 H 1 6.749 0.020 . 2 . . . . 7 Q HE22 . 15735 1 83 . 1 1 7 7 GLN HG2 H 1 2.445 0.062 . 2 . . . . 7 Q HG2 . 15735 1 84 . 1 1 7 7 GLN HG3 H 1 2.272 0.018 . 2 . . . . 7 Q HG3 . 15735 1 85 . 1 1 7 7 GLN CA C 13 56.384 0.200 . 1 . . . . 7 Q CA . 15735 1 86 . 1 1 7 7 GLN CB C 13 28.934 0.048 . 1 . . . . 7 Q CB . 15735 1 87 . 1 1 7 7 GLN CG C 13 34.060 0.040 . 1 . . . . 7 Q CG . 15735 1 88 . 1 1 7 7 GLN N N 15 119.944 0.200 . 1 . . . . 7 Q N . 15735 1 89 . 1 1 7 7 GLN NE2 N 15 112.073 0.045 . 1 . . . . 7 Q NE2 . 15735 1 90 . 1 1 8 8 VAL H H 1 7.021 0.005 . 1 . . . . 8 V HN . 15735 1 91 . 1 1 8 8 VAL HA H 1 4.476 0.006 . 1 . . . . 8 V HA . 15735 1 92 . 1 1 8 8 VAL HB H 1 2.118 0.004 . 1 . . . . 8 V HB . 15735 1 93 . 1 1 8 8 VAL HG11 H 1 0.796 0.020 . 2 . . . . 8 V HG1 . 15735 1 94 . 1 1 8 8 VAL HG12 H 1 0.796 0.020 . 2 . . . . 8 V HG1 . 15735 1 95 . 1 1 8 8 VAL HG13 H 1 0.796 0.020 . 2 . . . . 8 V HG1 . 15735 1 96 . 1 1 8 8 VAL HG21 H 1 0.527 0.002 . 2 . . . . 8 V HG2 . 15735 1 97 . 1 1 8 8 VAL HG22 H 1 0.527 0.002 . 2 . . . . 8 V HG2 . 15735 1 98 . 1 1 8 8 VAL HG23 H 1 0.527 0.002 . 2 . . . . 8 V HG2 . 15735 1 99 . 1 1 8 8 VAL CA C 13 58.999 0.094 . 1 . . . . 8 V CA . 15735 1 100 . 1 1 8 8 VAL CB C 13 35.347 0.067 . 1 . . . . 8 V CB . 15735 1 101 . 1 1 8 8 VAL CG1 C 13 21.853 0.200 . 2 . . . . 8 V CG1 . 15735 1 102 . 1 1 8 8 VAL CG2 C 13 18.083 0.086 . 2 . . . . 8 V CG2 . 15735 1 103 . 1 1 8 8 VAL N N 15 111.118 0.035 . 1 . . . . 8 V N . 15735 1 104 . 1 1 9 9 SER H H 1 8.155 0.008 . 1 . . . . 9 S HN . 15735 1 105 . 1 1 9 9 SER HA H 1 4.945 0.003 . 1 . . . . 9 S HA . 15735 1 106 . 1 1 9 9 SER HB2 H 1 4.178 0.003 . 2 . . . . 9 S HB2 . 15735 1 107 . 1 1 9 9 SER HB3 H 1 3.745 0.005 . 2 . . . . 9 S HB3 . 15735 1 108 . 1 1 9 9 SER CA C 13 56.704 0.051 . 1 . . . . 9 S CA . 15735 1 109 . 1 1 9 9 SER CB C 13 64.645 0.063 . 1 . . . . 9 S CB . 15735 1 110 . 1 1 9 9 SER N N 15 114.983 0.031 . 1 . . . . 9 S N . 15735 1 111 . 1 1 10 10 GLY H H 1 7.981 0.005 . 1 . . . . 10 G HN . 15735 1 112 . 1 1 10 10 GLY HA2 H 1 4.416 0.007 . 2 . . . . 10 G HA1 . 15735 1 113 . 1 1 10 10 GLY HA3 H 1 3.643 0.005 . 2 . . . . 10 G HA2 . 15735 1 114 . 1 1 10 10 GLY CA C 13 45.433 0.027 . 1 . . . . 10 G CA . 15735 1 115 . 1 1 10 10 GLY N N 15 108.602 0.037 . 1 . . . . 10 G N . 15735 1 116 . 1 1 11 11 VAL H H 1 8.018 0.006 . 1 . . . . 11 V HN . 15735 1 117 . 1 1 11 11 VAL HA H 1 4.740 0.007 . 1 . . . . 11 V HA . 15735 1 118 . 1 1 11 11 VAL HB H 1 1.747 0.001 . 1 . . . . 11 V HB . 15735 1 119 . 1 1 11 11 VAL HG11 H 1 0.918 0.002 . 2 . . . . 11 V HG1 . 15735 1 120 . 1 1 11 11 VAL HG12 H 1 0.918 0.002 . 2 . . . . 11 V HG1 . 15735 1 121 . 1 1 11 11 VAL HG13 H 1 0.918 0.002 . 2 . . . . 11 V HG1 . 15735 1 122 . 1 1 11 11 VAL HG21 H 1 0.705 0.020 . 2 . . . . 11 V HG2 . 15735 1 123 . 1 1 11 11 VAL HG22 H 1 0.705 0.020 . 2 . . . . 11 V HG2 . 15735 1 124 . 1 1 11 11 VAL HG23 H 1 0.705 0.020 . 2 . . . . 11 V HG2 . 15735 1 125 . 1 1 11 11 VAL CA C 13 60.580 0.095 . 1 . . . . 11 V CA . 15735 1 126 . 1 1 11 11 VAL CB C 13 35.124 0.016 . 1 . . . . 11 V CB . 15735 1 127 . 1 1 11 11 VAL CG1 C 13 22.266 0.200 . 2 . . . . 11 V CG1 . 15735 1 128 . 1 1 11 11 VAL CG2 C 13 21.191 0.200 . 2 . . . . 11 V CG2 . 15735 1 129 . 1 1 11 11 VAL N N 15 118.346 0.034 . 1 . . . . 11 V N . 15735 1 130 . 1 1 12 12 ILE H H 1 8.452 0.004 . 1 . . . . 12 I HN . 15735 1 131 . 1 1 12 12 ILE HA H 1 4.042 0.003 . 1 . . . . 12 I HA . 15735 1 132 . 1 1 12 12 ILE HB H 1 2.300 0.005 . 1 . . . . 12 I HB . 15735 1 133 . 1 1 12 12 ILE HD11 H 1 0.258 0.003 . 1 . . . . 12 I HD1 . 15735 1 134 . 1 1 12 12 ILE HD12 H 1 0.258 0.003 . 1 . . . . 12 I HD1 . 15735 1 135 . 1 1 12 12 ILE HD13 H 1 0.258 0.003 . 1 . . . . 12 I HD1 . 15735 1 136 . 1 1 12 12 ILE HG12 H 1 1.448 0.020 . 2 . . . . 12 I HG12 . 15735 1 137 . 1 1 12 12 ILE HG13 H 1 1.115 0.002 . 2 . . . . 12 I HG13 . 15735 1 138 . 1 1 12 12 ILE HG21 H 1 0.802 0.020 . 1 . . . . 12 I HG2 . 15735 1 139 . 1 1 12 12 ILE HG22 H 1 0.802 0.020 . 1 . . . . 12 I HG2 . 15735 1 140 . 1 1 12 12 ILE HG23 H 1 0.802 0.020 . 1 . . . . 12 I HG2 . 15735 1 141 . 1 1 12 12 ILE CA C 13 60.400 0.059 . 1 . . . . 12 I CA . 15735 1 142 . 1 1 12 12 ILE CB C 13 35.725 0.009 . 1 . . . . 12 I CB . 15735 1 143 . 1 1 12 12 ILE CD1 C 13 9.946 0.200 . 1 . . . . 12 I CD1 . 15735 1 144 . 1 1 12 12 ILE CG1 C 13 25.554 0.200 . 1 . . . . 12 I CG1 . 15735 1 145 . 1 1 12 12 ILE CG2 C 13 17.898 0.200 . 1 . . . . 12 I CG2 . 15735 1 146 . 1 1 12 12 ILE N N 15 125.267 0.069 . 1 . . . . 12 I N . 15735 1 147 . 1 1 13 13 VAL H H 1 8.900 0.008 . 1 . . . . 13 V HN . 15735 1 148 . 1 1 13 13 VAL HA H 1 4.492 0.005 . 1 . . . . 13 V HA . 15735 1 149 . 1 1 13 13 VAL HB H 1 2.022 0.003 . 1 . . . . 13 V HB . 15735 1 150 . 1 1 13 13 VAL HG11 H 1 0.841 0.003 . 2 . . . . 13 V HG1 . 15735 1 151 . 1 1 13 13 VAL HG12 H 1 0.841 0.003 . 2 . . . . 13 V HG1 . 15735 1 152 . 1 1 13 13 VAL HG13 H 1 0.841 0.003 . 2 . . . . 13 V HG1 . 15735 1 153 . 1 1 13 13 VAL HG21 H 1 0.675 0.002 . 2 . . . . 13 V HG2 . 15735 1 154 . 1 1 13 13 VAL HG22 H 1 0.675 0.002 . 2 . . . . 13 V HG2 . 15735 1 155 . 1 1 13 13 VAL HG23 H 1 0.675 0.002 . 2 . . . . 13 V HG2 . 15735 1 156 . 1 1 13 13 VAL CA C 13 62.168 0.067 . 1 . . . . 13 V CA . 15735 1 157 . 1 1 13 13 VAL CB C 13 33.406 0.064 . 1 . . . . 13 V CB . 15735 1 158 . 1 1 13 13 VAL CG1 C 13 21.062 0.200 . 2 . . . . 13 V CG1 . 15735 1 159 . 1 1 13 13 VAL CG2 C 13 20.322 0.054 . 2 . . . . 13 V CG2 . 15735 1 160 . 1 1 13 13 VAL N N 15 124.539 0.022 . 1 . . . . 13 V N . 15735 1 161 . 1 1 14 14 ASN H H 1 7.649 0.006 . 1 . . . . 14 N HN . 15735 1 162 . 1 1 14 14 ASN HA H 1 4.805 0.002 . 1 . . . . 14 N HA . 15735 1 163 . 1 1 14 14 ASN HB2 H 1 2.578 0.004 . 2 . . . . 14 N HB2 . 15735 1 164 . 1 1 14 14 ASN HB3 H 1 2.300 0.003 . 2 . . . . 14 N HB3 . 15735 1 165 . 1 1 14 14 ASN HD21 H 1 7.298 0.004 . 2 . . . . 14 N HD21 . 15735 1 166 . 1 1 14 14 ASN HD22 H 1 6.838 0.002 . 2 . . . . 14 N HD22 . 15735 1 167 . 1 1 14 14 ASN CA C 13 52.950 0.036 . 1 . . . . 14 N CA . 15735 1 168 . 1 1 14 14 ASN CB C 13 42.149 0.037 . 1 . . . . 14 N CB . 15735 1 169 . 1 1 14 14 ASN N N 15 115.008 0.013 . 1 . . . . 14 N N . 15735 1 170 . 1 1 14 14 ASN ND2 N 15 109.605 0.030 . 1 . . . . 14 N ND2 . 15735 1 171 . 1 1 15 15 LYS H H 1 8.393 0.005 . 1 . . . . 15 K HN . 15735 1 172 . 1 1 15 15 LYS HA H 1 4.640 0.003 . 1 . . . . 15 K HA . 15735 1 173 . 1 1 15 15 LYS HB2 H 1 1.565 0.002 . 2 . . . . 15 K HB2 . 15735 1 174 . 1 1 15 15 LYS HB3 H 1 1.368 0.001 . 2 . . . . 15 K HB3 . 15735 1 175 . 1 1 15 15 LYS HD2 H 1 1.349 0.020 . 2 . . . . 15 K HD2 . 15735 1 176 . 1 1 15 15 LYS HD3 H 1 1.200 0.020 . 2 . . . . 15 K HD3 . 15735 1 177 . 1 1 15 15 LYS HE2 H 1 2.746 0.020 . 2 . . . . 15 K HE2 . 15735 1 178 . 1 1 15 15 LYS HE3 H 1 2.577 0.020 . 2 . . . . 15 K HE3 . 15735 1 179 . 1 1 15 15 LYS CA C 13 55.987 0.047 . 1 . . . . 15 K CA . 15735 1 180 . 1 1 15 15 LYS CB C 13 35.412 0.018 . 1 . . . . 15 K CB . 15735 1 181 . 1 1 15 15 LYS CD C 13 29.764 0.003 . 1 . . . . 15 K CD . 15735 1 182 . 1 1 15 15 LYS CE C 13 41.641 0.014 . 1 . . . . 15 K CE . 15735 1 183 . 1 1 15 15 LYS N N 15 123.820 0.031 . 1 . . . . 15 K N . 15735 1 184 . 1 1 16 16 LEU H H 1 8.015 0.005 . 1 . . . . 16 L HN . 15735 1 185 . 1 1 16 16 LEU HA H 1 4.983 0.379 . 1 . . . . 16 L HA . 15735 1 186 . 1 1 16 16 LEU HB2 H 1 1.936 0.020 . 2 . . . . 16 L HB2 . 15735 1 187 . 1 1 16 16 LEU HB3 H 1 1.365 0.004 . 2 . . . . 16 L HB3 . 15735 1 188 . 1 1 16 16 LEU HD11 H 1 0.678 0.020 . 2 . . . . 16 L HD1 . 15735 1 189 . 1 1 16 16 LEU HD12 H 1 0.678 0.020 . 2 . . . . 16 L HD1 . 15735 1 190 . 1 1 16 16 LEU HD13 H 1 0.678 0.020 . 2 . . . . 16 L HD1 . 15735 1 191 . 1 1 16 16 LEU HD21 H 1 0.604 0.020 . 2 . . . . 16 L HD2 . 15735 1 192 . 1 1 16 16 LEU HD22 H 1 0.604 0.020 . 2 . . . . 16 L HD2 . 15735 1 193 . 1 1 16 16 LEU HD23 H 1 0.604 0.020 . 2 . . . . 16 L HD2 . 15735 1 194 . 1 1 16 16 LEU HG H 1 1.195 0.020 . 1 . . . . 16 L HG . 15735 1 195 . 1 1 16 16 LEU CA C 13 55.202 0.012 . 1 . . . . 16 L CA . 15735 1 196 . 1 1 16 16 LEU CB C 13 41.471 0.040 . 1 . . . . 16 L CB . 15735 1 197 . 1 1 16 16 LEU CD1 C 13 24.569 0.200 . 2 . . . . 16 L CD1 . 15735 1 198 . 1 1 16 16 LEU CD2 C 13 25.553 0.200 . 2 . . . . 16 L CD2 . 15735 1 199 . 1 1 16 16 LEU CG C 13 28.302 0.200 . 1 . . . . 16 L CG . 15735 1 200 . 1 1 16 16 LEU N N 15 126.200 0.014 . 1 . . . . 16 L N . 15735 1 201 . 1 1 17 17 PHE H H 1 6.522 0.005 . 1 . . . . 17 F HN . 15735 1 202 . 1 1 17 17 PHE HA H 1 4.858 0.001 . 1 . . . . 17 F HA . 15735 1 203 . 1 1 17 17 PHE HB2 H 1 2.935 0.002 . 2 . . . . 17 F HB2 . 15735 1 204 . 1 1 17 17 PHE HB3 H 1 2.809 0.009 . 2 . . . . 17 F HB3 . 15735 1 205 . 1 1 17 17 PHE HD1 H 1 6.777 0.002 . 3 . . . . 17 F HD . 15735 1 206 . 1 1 17 17 PHE HD2 H 1 6.777 0.002 . 3 . . . . 17 F HD . 15735 1 207 . 1 1 17 17 PHE HE1 H 1 6.802 0.020 . 3 . . . . 17 F HE . 15735 1 208 . 1 1 17 17 PHE HE2 H 1 6.802 0.020 . 3 . . . . 17 F HE . 15735 1 209 . 1 1 17 17 PHE HZ H 1 7.032 0.002 . 1 . . . . 17 F HZ . 15735 1 210 . 1 1 17 17 PHE CA C 13 55.675 0.046 . 1 . . . . 17 F CA . 15735 1 211 . 1 1 17 17 PHE CB C 13 41.329 0.056 . 1 . . . . 17 F CB . 15735 1 212 . 1 1 17 17 PHE N N 15 113.650 0.032 . 1 . . . . 17 F N . 15735 1 213 . 1 1 18 18 LYS H H 1 8.648 0.006 . 1 . . . . 18 K HN . 15735 1 214 . 1 1 18 18 LYS HA H 1 4.325 0.005 . 1 . . . . 18 K HA . 15735 1 215 . 1 1 18 18 LYS HB2 H 1 1.717 0.006 . 2 . . . . 18 K HB2 . 15735 1 216 . 1 1 18 18 LYS HB3 H 1 1.669 0.001 . 2 . . . . 18 K HB3 . 15735 1 217 . 1 1 18 18 LYS HD2 H 1 1.669 0.020 . 2 . . . . 18 K HD2 . 15735 1 218 . 1 1 18 18 LYS HD3 H 1 1.676 0.020 . 2 . . . . 18 K HD3 . 15735 1 219 . 1 1 18 18 LYS HE2 H 1 2.937 0.003 . 2 . . . . 18 K HE2 . 15735 1 220 . 1 1 18 18 LYS HE3 H 1 2.807 0.003 . 2 . . . . 18 K HE3 . 15735 1 221 . 1 1 18 18 LYS HG2 H 1 1.375 0.004 . 2 . . . . 18 K HG2 . 15735 1 222 . 1 1 18 18 LYS HG3 H 1 1.278 0.002 . 2 . . . . 18 K HG3 . 15735 1 223 . 1 1 18 18 LYS CA C 13 54.442 0.028 . 1 . . . . 18 K CA . 15735 1 224 . 1 1 18 18 LYS CB C 13 35.233 0.028 . 1 . . . . 18 K CB . 15735 1 225 . 1 1 18 18 LYS CD C 13 27.593 0.019 . 1 . . . . 18 K CD . 15735 1 226 . 1 1 18 18 LYS CE C 13 41.563 0.195 . 1 . . . . 18 K CE . 15735 1 227 . 1 1 18 18 LYS CG C 13 24.469 0.068 . 1 . . . . 18 K CG . 15735 1 228 . 1 1 18 18 LYS N N 15 120.586 0.016 . 1 . . . . 18 K N . 15735 1 229 . 1 1 19 19 ALA H H 1 8.396 0.006 . 1 . . . . 19 A HN . 15735 1 230 . 1 1 19 19 ALA HA H 1 3.956 0.002 . 1 . . . . 19 A HA . 15735 1 231 . 1 1 19 19 ALA HB1 H 1 1.281 0.003 . 1 . . . . 19 A HB . 15735 1 232 . 1 1 19 19 ALA HB2 H 1 1.281 0.003 . 1 . . . . 19 A HB . 15735 1 233 . 1 1 19 19 ALA HB3 H 1 1.281 0.003 . 1 . . . . 19 A HB . 15735 1 234 . 1 1 19 19 ALA CA C 13 54.151 0.038 . 1 . . . . 19 A CA . 15735 1 235 . 1 1 19 19 ALA CB C 13 18.681 0.263 . 1 . . . . 19 A CB . 15735 1 236 . 1 1 19 19 ALA N N 15 123.901 0.018 . 1 . . . . 19 A N . 15735 1 237 . 1 1 20 20 GLY H H 1 8.806 0.004 . 1 . . . . 20 G HN . 15735 1 238 . 1 1 20 20 GLY HA2 H 1 4.299 0.005 . 2 . . . . 20 G HA1 . 15735 1 239 . 1 1 20 20 GLY HA3 H 1 3.523 0.005 . 2 . . . . 20 G HA2 . 15735 1 240 . 1 1 20 20 GLY CA C 13 45.190 0.048 . 1 . . . . 20 G CA . 15735 1 241 . 1 1 20 20 GLY N N 15 112.460 0.021 . 1 . . . . 20 G N . 15735 1 242 . 1 1 21 21 ASP H H 1 7.923 0.006 . 1 . . . . 21 D HN . 15735 1 243 . 1 1 21 21 ASP HA H 1 4.489 0.002 . 1 . . . . 21 D HA . 15735 1 244 . 1 1 21 21 ASP HB2 H 1 2.787 0.002 . 2 . . . . 21 D HB2 . 15735 1 245 . 1 1 21 21 ASP HB3 H 1 2.535 0.002 . 2 . . . . 21 D HB3 . 15735 1 246 . 1 1 21 21 ASP CA C 13 55.477 0.054 . 1 . . . . 21 D CA . 15735 1 247 . 1 1 21 21 ASP CB C 13 41.593 0.073 . 1 . . . . 21 D CB . 15735 1 248 . 1 1 21 21 ASP N N 15 121.531 0.025 . 1 . . . . 21 D N . 15735 1 249 . 1 1 22 22 LYS H H 1 8.292 0.004 . 1 . . . . 22 K HN . 15735 1 250 . 1 1 22 22 LYS HA H 1 4.861 0.004 . 1 . . . . 22 K HA . 15735 1 251 . 1 1 22 22 LYS HB2 H 1 1.736 0.012 . 2 . . . . 22 K HB2 . 15735 1 252 . 1 1 22 22 LYS HB3 H 1 1.738 0.011 . 2 . . . . 22 K HB3 . 15735 1 253 . 1 1 22 22 LYS HD2 H 1 1.608 0.004 . 2 . . . . 22 K HD2 . 15735 1 254 . 1 1 22 22 LYS HD3 H 1 1.613 0.020 . 2 . . . . 22 K HD3 . 15735 1 255 . 1 1 22 22 LYS HE2 H 1 2.907 0.002 . 2 . . . . 22 K HE . 15735 1 256 . 1 1 22 22 LYS HE3 H 1 2.907 0.002 . 2 . . . . 22 K HE . 15735 1 257 . 1 1 22 22 LYS HG2 H 1 1.493 0.002 . 2 . . . . 22 K HG2 . 15735 1 258 . 1 1 22 22 LYS HG3 H 1 1.369 0.004 . 2 . . . . 22 K HG3 . 15735 1 259 . 1 1 22 22 LYS CA C 13 55.789 0.059 . 1 . . . . 22 K CA . 15735 1 260 . 1 1 22 22 LYS CB C 13 31.948 0.025 . 1 . . . . 22 K CB . 15735 1 261 . 1 1 22 22 LYS CD C 13 29.272 0.014 . 1 . . . . 22 K CD . 15735 1 262 . 1 1 22 22 LYS CE C 13 42.492 0.006 . 1 . . . . 22 K CE . 15735 1 263 . 1 1 22 22 LYS CG C 13 25.267 0.033 . 1 . . . . 22 K CG . 15735 1 264 . 1 1 22 22 LYS N N 15 120.223 0.020 . 1 . . . . 22 K N . 15735 1 265 . 1 1 23 23 VAL H H 1 8.929 0.006 . 1 . . . . 23 V HN . 15735 1 266 . 1 1 23 23 VAL HA H 1 4.828 0.003 . 1 . . . . 23 V HA . 15735 1 267 . 1 1 23 23 VAL HB H 1 1.627 0.003 . 1 . . . . 23 V HB . 15735 1 268 . 1 1 23 23 VAL HG11 H 1 0.575 0.003 . 2 . . . . 23 V HG1 . 15735 1 269 . 1 1 23 23 VAL HG12 H 1 0.575 0.003 . 2 . . . . 23 V HG1 . 15735 1 270 . 1 1 23 23 VAL HG13 H 1 0.575 0.003 . 2 . . . . 23 V HG1 . 15735 1 271 . 1 1 23 23 VAL HG21 H 1 0.471 0.020 . 2 . . . . 23 V HG2 . 15735 1 272 . 1 1 23 23 VAL HG22 H 1 0.471 0.020 . 2 . . . . 23 V HG2 . 15735 1 273 . 1 1 23 23 VAL HG23 H 1 0.471 0.020 . 2 . . . . 23 V HG2 . 15735 1 274 . 1 1 23 23 VAL CA C 13 58.619 0.026 . 1 . . . . 23 V CA . 15735 1 275 . 1 1 23 23 VAL CB C 13 34.776 0.027 . 1 . . . . 23 V CB . 15735 1 276 . 1 1 23 23 VAL CG1 C 13 22.017 0.019 . 2 . . . . 23 V CG1 . 15735 1 277 . 1 1 23 23 VAL CG2 C 13 18.167 0.200 . 2 . . . . 23 V CG2 . 15735 1 278 . 1 1 23 23 VAL N N 15 117.770 0.034 . 1 . . . . 23 V N . 15735 1 279 . 1 1 24 24 LYS H H 1 7.952 0.007 . 1 . . . . 24 K HN . 15735 1 280 . 1 1 24 24 LYS HA H 1 4.828 0.005 . 1 . . . . 24 K HA . 15735 1 281 . 1 1 24 24 LYS HB2 H 1 1.723 0.006 . 2 . . . . 24 K HB2 . 15735 1 282 . 1 1 24 24 LYS HB3 H 1 1.555 0.003 . 2 . . . . 24 K HB3 . 15735 1 283 . 1 1 24 24 LYS HD2 H 1 1.587 0.001 . 2 . . . . 24 K HD2 . 15735 1 284 . 1 1 24 24 LYS HD3 H 1 1.591 0.001 . 2 . . . . 24 K HD3 . 15735 1 285 . 1 1 24 24 LYS HE2 H 1 2.931 0.011 . 2 . . . . 24 K HE2 . 15735 1 286 . 1 1 24 24 LYS HE3 H 1 2.937 0.005 . 2 . . . . 24 K HE3 . 15735 1 287 . 1 1 24 24 LYS HG2 H 1 1.380 0.010 . 2 . . . . 24 K HG2 . 15735 1 288 . 1 1 24 24 LYS HG3 H 1 1.381 0.009 . 2 . . . . 24 K HG3 . 15735 1 289 . 1 1 24 24 LYS CA C 13 53.316 0.059 . 1 . . . . 24 K CA . 15735 1 290 . 1 1 24 24 LYS CB C 13 35.370 0.042 . 1 . . . . 24 K CB . 15735 1 291 . 1 1 24 24 LYS CD C 13 29.095 0.058 . 1 . . . . 24 K CD . 15735 1 292 . 1 1 24 24 LYS CE C 13 41.831 0.065 . 1 . . . . 24 K CE . 15735 1 293 . 1 1 24 24 LYS CG C 13 24.792 0.011 . 1 . . . . 24 K CG . 15735 1 294 . 1 1 24 24 LYS N N 15 121.890 0.126 . 1 . . . . 24 K N . 15735 1 295 . 1 1 25 25 LYS H H 1 8.903 0.008 . 1 . . . . 25 K HN . 15735 1 296 . 1 1 25 25 LYS HA H 1 3.152 0.002 . 1 . . . . 25 K HA . 15735 1 297 . 1 1 25 25 LYS HB2 H 1 1.676 0.005 . 2 . . . . 25 K HB2 . 15735 1 298 . 1 1 25 25 LYS HB3 H 1 1.522 0.004 . 2 . . . . 25 K HB3 . 15735 1 299 . 1 1 25 25 LYS HD2 H 1 1.652 0.002 . 2 . . . . 25 K HD2 . 15735 1 300 . 1 1 25 25 LYS HE2 H 1 2.698 0.008 . 2 . . . . 25 K HE2 . 15735 1 301 . 1 1 25 25 LYS HE3 H 1 2.657 0.006 . 2 . . . . 25 K HE3 . 15735 1 302 . 1 1 25 25 LYS HG2 H 1 1.127 0.003 . 2 . . . . 25 K HG2 . 15735 1 303 . 1 1 25 25 LYS HG3 H 1 1.074 0.003 . 2 . . . . 25 K HG3 . 15735 1 304 . 1 1 25 25 LYS CA C 13 58.780 0.033 . 1 . . . . 25 K CA . 15735 1 305 . 1 1 25 25 LYS CB C 13 32.788 0.044 . 1 . . . . 25 K CB . 15735 1 306 . 1 1 25 25 LYS CD C 13 29.893 0.052 . 1 . . . . 25 K CD . 15735 1 307 . 1 1 25 25 LYS CE C 13 41.109 0.063 . 1 . . . . 25 K CE . 15735 1 308 . 1 1 25 25 LYS CG C 13 24.576 0.033 . 1 . . . . 25 K CG . 15735 1 309 . 1 1 25 25 LYS N N 15 121.717 0.067 . 1 . . . . 25 K N . 15735 1 310 . 1 1 26 26 GLY H H 1 8.887 0.004 . 1 . . . . 26 G HN . 15735 1 311 . 1 1 26 26 GLY HA2 H 1 4.277 0.005 . 2 . . . . 26 G HA1 . 15735 1 312 . 1 1 26 26 GLY HA3 H 1 3.462 0.002 . 2 . . . . 26 G HA2 . 15735 1 313 . 1 1 26 26 GLY CA C 13 45.387 0.031 . 1 . . . . 26 G CA . 15735 1 314 . 1 1 26 26 GLY N N 15 115.271 0.024 . 1 . . . . 26 G N . 15735 1 315 . 1 1 27 27 GLN H H 1 8.423 0.004 . 1 . . . . 27 Q HN . 15735 1 316 . 1 1 27 27 GLN HA H 1 4.134 0.003 . 1 . . . . 27 Q HA . 15735 1 317 . 1 1 27 27 GLN HB2 H 1 2.294 0.002 . 2 . . . . 27 Q HB2 . 15735 1 318 . 1 1 27 27 GLN HB3 H 1 1.799 0.002 . 2 . . . . 27 Q HB3 . 15735 1 319 . 1 1 27 27 GLN HE21 H 1 7.917 0.001 . 2 . . . . 27 Q HE21 . 15735 1 320 . 1 1 27 27 GLN HE22 H 1 7.219 0.003 . 2 . . . . 27 Q HE22 . 15735 1 321 . 1 1 27 27 GLN HG2 H 1 2.354 0.001 . 2 . . . . 27 Q HG2 . 15735 1 322 . 1 1 27 27 GLN HG3 H 1 2.165 0.020 . 2 . . . . 27 Q HG3 . 15735 1 323 . 1 1 27 27 GLN CA C 13 56.461 0.035 . 1 . . . . 27 Q CA . 15735 1 324 . 1 1 27 27 GLN CB C 13 30.655 0.035 . 1 . . . . 27 Q CB . 15735 1 325 . 1 1 27 27 GLN CG C 13 33.002 0.026 . 1 . . . . 27 Q CG . 15735 1 326 . 1 1 27 27 GLN N N 15 123.160 0.044 . 1 . . . . 27 Q N . 15735 1 327 . 1 1 27 27 GLN NE2 N 15 112.198 0.012 . 1 . . . . 27 Q NE2 . 15735 1 328 . 1 1 28 28 THR H H 1 9.094 0.009 . 1 . . . . 28 T HN . 15735 1 329 . 1 1 28 28 THR HA H 1 3.884 0.003 . 1 . . . . 28 T HA . 15735 1 330 . 1 1 28 28 THR HB H 1 3.972 0.004 . 1 . . . . 28 T HB . 15735 1 331 . 1 1 28 28 THR HG21 H 1 1.061 0.003 . 1 . . . . 28 T HG2 . 15735 1 332 . 1 1 28 28 THR HG22 H 1 1.061 0.003 . 1 . . . . 28 T HG2 . 15735 1 333 . 1 1 28 28 THR HG23 H 1 1.061 0.003 . 1 . . . . 28 T HG2 . 15735 1 334 . 1 1 28 28 THR CA C 13 66.017 0.070 . 1 . . . . 28 T CA . 15735 1 335 . 1 1 28 28 THR CB C 13 68.577 0.049 . 1 . . . . 28 T CB . 15735 1 336 . 1 1 28 28 THR CG2 C 13 23.675 0.022 . 1 . . . . 28 T CG2 . 15735 1 337 . 1 1 28 28 THR N N 15 124.723 0.019 . 1 . . . . 28 T N . 15735 1 338 . 1 1 29 29 LEU H H 1 9.499 0.005 . 1 . . . . 29 L HN . 15735 1 339 . 1 1 29 29 LEU HA H 1 4.373 0.003 . 1 . . . . 29 L HA . 15735 1 340 . 1 1 29 29 LEU HB2 H 1 1.520 0.006 . 2 . . . . 29 L HB2 . 15735 1 341 . 1 1 29 29 LEU HB3 H 1 1.015 0.005 . 2 . . . . 29 L HB3 . 15735 1 342 . 1 1 29 29 LEU HD11 H 1 0.312 0.002 . 2 . . . . 29 L HD1 . 15735 1 343 . 1 1 29 29 LEU HD12 H 1 0.312 0.002 . 2 . . . . 29 L HD1 . 15735 1 344 . 1 1 29 29 LEU HD13 H 1 0.312 0.002 . 2 . . . . 29 L HD1 . 15735 1 345 . 1 1 29 29 LEU HD21 H 1 0.281 0.003 . 2 . . . . 29 L HD2 . 15735 1 346 . 1 1 29 29 LEU HD22 H 1 0.281 0.003 . 2 . . . . 29 L HD2 . 15735 1 347 . 1 1 29 29 LEU HD23 H 1 0.281 0.003 . 2 . . . . 29 L HD2 . 15735 1 348 . 1 1 29 29 LEU HG H 1 1.776 0.001 . 1 . . . . 29 L HG . 15735 1 349 . 1 1 29 29 LEU CA C 13 55.960 0.041 . 1 . . . . 29 L CA . 15735 1 350 . 1 1 29 29 LEU CB C 13 44.601 0.051 . 1 . . . . 29 L CB . 15735 1 351 . 1 1 29 29 LEU CD1 C 13 25.632 0.002 . 2 . . . . 29 L CD1 . 15735 1 352 . 1 1 29 29 LEU CD2 C 13 21.382 0.006 . 2 . . . . 29 L CD2 . 15735 1 353 . 1 1 29 29 LEU CG C 13 26.279 0.015 . 1 . . . . 29 L CG . 15735 1 354 . 1 1 29 29 LEU N N 15 125.894 0.027 . 1 . . . . 29 L N . 15735 1 355 . 1 1 30 30 PHE H H 1 7.572 0.005 . 1 . . . . 30 F HN . 15735 1 356 . 1 1 30 30 PHE HA H 1 5.360 0.003 . 1 . . . . 30 F HA . 15735 1 357 . 1 1 30 30 PHE HB2 H 1 3.063 0.003 . 2 . . . . 30 F HB2 . 15735 1 358 . 1 1 30 30 PHE HB3 H 1 2.435 0.002 . 2 . . . . 30 F HB3 . 15735 1 359 . 1 1 30 30 PHE HD1 H 1 7.140 0.003 . 3 . . . . 30 F HD . 15735 1 360 . 1 1 30 30 PHE HD2 H 1 7.140 0.003 . 3 . . . . 30 F HD . 15735 1 361 . 1 1 30 30 PHE HE1 H 1 7.034 0.001 . 3 . . . . 30 F HE . 15735 1 362 . 1 1 30 30 PHE HE2 H 1 7.034 0.001 . 3 . . . . 30 F HE . 15735 1 363 . 1 1 30 30 PHE HZ H 1 7.271 0.002 . 1 . . . . 30 F HZ . 15735 1 364 . 1 1 30 30 PHE CA C 13 55.655 0.045 . 1 . . . . 30 F CA . 15735 1 365 . 1 1 30 30 PHE CB C 13 45.053 0.025 . 1 . . . . 30 F CB . 15735 1 366 . 1 1 30 30 PHE N N 15 111.166 0.031 . 1 . . . . 30 F N . 15735 1 367 . 1 1 31 31 ILE H H 1 7.850 0.005 . 1 . . . . 31 I HN . 15735 1 368 . 1 1 31 31 ILE HA H 1 4.808 0.004 . 1 . . . . 31 I HA . 15735 1 369 . 1 1 31 31 ILE HB H 1 1.541 0.005 . 1 . . . . 31 I HB . 15735 1 370 . 1 1 31 31 ILE HD11 H 1 0.753 0.001 . 1 . . . . 31 I HD1 . 15735 1 371 . 1 1 31 31 ILE HD12 H 1 0.753 0.001 . 1 . . . . 31 I HD1 . 15735 1 372 . 1 1 31 31 ILE HD13 H 1 0.753 0.001 . 1 . . . . 31 I HD1 . 15735 1 373 . 1 1 31 31 ILE HG12 H 1 1.360 0.002 . 2 . . . . 31 I HG12 . 15735 1 374 . 1 1 31 31 ILE HG13 H 1 1.006 0.002 . 2 . . . . 31 I HG13 . 15735 1 375 . 1 1 31 31 ILE HG21 H 1 0.665 0.002 . 1 . . . . 31 I HG2 . 15735 1 376 . 1 1 31 31 ILE HG22 H 1 0.665 0.002 . 1 . . . . 31 I HG2 . 15735 1 377 . 1 1 31 31 ILE HG23 H 1 0.665 0.002 . 1 . . . . 31 I HG2 . 15735 1 378 . 1 1 31 31 ILE CA C 13 60.159 0.038 . 1 . . . . 31 I CA . 15735 1 379 . 1 1 31 31 ILE CB C 13 39.584 0.029 . 1 . . . . 31 I CB . 15735 1 380 . 1 1 31 31 ILE CD1 C 13 12.250 0.089 . 1 . . . . 31 I CD1 . 15735 1 381 . 1 1 31 31 ILE CG1 C 13 27.779 0.040 . 1 . . . . 31 I CG1 . 15735 1 382 . 1 1 31 31 ILE CG2 C 13 17.760 0.028 . 1 . . . . 31 I CG2 . 15735 1 383 . 1 1 31 31 ILE N N 15 119.419 0.046 . 1 . . . . 31 I N . 15735 1 384 . 1 1 32 32 ILE H H 1 9.095 0.006 . 1 . . . . 32 I HN . 15735 1 385 . 1 1 32 32 ILE HA H 1 4.830 0.001 . 1 . . . . 32 I HA . 15735 1 386 . 1 1 32 32 ILE HB H 1 1.257 0.007 . 1 . . . . 32 I HB . 15735 1 387 . 1 1 32 32 ILE HD11 H 1 0.379 0.006 . 1 . . . . 32 I HD1 . 15735 1 388 . 1 1 32 32 ILE HD12 H 1 0.379 0.006 . 1 . . . . 32 I HD1 . 15735 1 389 . 1 1 32 32 ILE HD13 H 1 0.379 0.006 . 1 . . . . 32 I HD1 . 15735 1 390 . 1 1 32 32 ILE HG12 H 1 1.194 0.020 . 2 . . . . 32 I HG12 . 15735 1 391 . 1 1 32 32 ILE HG13 H 1 0.589 0.020 . 2 . . . . 32 I HG13 . 15735 1 392 . 1 1 32 32 ILE HG21 H 1 0.351 0.008 . 1 . . . . 32 I HG2 . 15735 1 393 . 1 1 32 32 ILE HG22 H 1 0.351 0.008 . 1 . . . . 32 I HG2 . 15735 1 394 . 1 1 32 32 ILE HG23 H 1 0.351 0.008 . 1 . . . . 32 I HG2 . 15735 1 395 . 1 1 32 32 ILE CA C 13 59.205 0.131 . 1 . . . . 32 I CA . 15735 1 396 . 1 1 32 32 ILE CB C 13 42.206 0.013 . 1 . . . . 32 I CB . 15735 1 397 . 1 1 32 32 ILE CD1 C 13 14.809 0.200 . 1 . . . . 32 I CD1 . 15735 1 398 . 1 1 32 32 ILE CG1 C 13 28.806 0.018 . 1 . . . . 32 I CG1 . 15735 1 399 . 1 1 32 32 ILE CG2 C 13 16.285 0.200 . 1 . . . . 32 I CG2 . 15735 1 400 . 1 1 32 32 ILE N N 15 127.930 0.048 . 1 . . . . 32 I N . 15735 1 401 . 1 1 33 33 GLU H H 1 9.089 0.006 . 1 . . . . 33 E HN . 15735 1 402 . 1 1 33 33 GLU HA H 1 4.674 0.010 . 1 . . . . 33 E HA . 15735 1 403 . 1 1 33 33 GLU HB2 H 1 1.996 0.006 . 2 . . . . 33 E HB2 . 15735 1 404 . 1 1 33 33 GLU HB3 H 1 1.743 0.004 . 2 . . . . 33 E HB3 . 15735 1 405 . 1 1 33 33 GLU HG2 H 1 2.290 0.158 . 2 . . . . 33 E QG . 15735 1 406 . 1 1 33 33 GLU HG3 H 1 2.290 0.158 . 2 . . . . 33 E QG . 15735 1 407 . 1 1 33 33 GLU CA C 13 55.047 0.010 . 1 . . . . 33 E CA . 15735 1 408 . 1 1 33 33 GLU CB C 13 31.851 0.066 . 1 . . . . 33 E CB . 15735 1 409 . 1 1 33 33 GLU CG C 13 33.802 2.348 . 1 . . . . 33 E CG . 15735 1 410 . 1 1 33 33 GLU N N 15 128.159 0.050 . 1 . . . . 33 E N . 15735 1 411 . 1 1 34 34 GLN H H 1 8.705 0.007 . 1 . . . . 34 Q HN . 15735 1 412 . 1 1 34 34 GLN HA H 1 4.362 0.004 . 1 . . . . 34 Q HA . 15735 1 413 . 1 1 34 34 GLN HB2 H 1 2.051 0.002 . 2 . . . . 34 Q HB2 . 15735 1 414 . 1 1 34 34 GLN HB3 H 1 1.941 0.011 . 2 . . . . 34 Q HB3 . 15735 1 415 . 1 1 34 34 GLN HE21 H 1 7.441 0.002 . 2 . . . . 34 Q HE21 . 15735 1 416 . 1 1 34 34 GLN HE22 H 1 6.815 0.003 . 2 . . . . 34 Q HE22 . 15735 1 417 . 1 1 34 34 GLN HG2 H 1 2.305 0.004 . 2 . . . . 34 Q HG2 . 15735 1 418 . 1 1 34 34 GLN HG3 H 1 2.306 0.004 . 2 . . . . 34 Q HG3 . 15735 1 419 . 1 1 34 34 GLN CA C 13 56.933 0.056 . 1 . . . . 34 Q CA . 15735 1 420 . 1 1 34 34 GLN CB C 13 30.273 0.066 . 1 . . . . 34 Q CB . 15735 1 421 . 1 1 34 34 GLN CG C 13 34.500 0.020 . 1 . . . . 34 Q CG . 15735 1 422 . 1 1 34 34 GLN N N 15 128.144 0.022 . 1 . . . . 34 Q N . 15735 1 423 . 1 1 34 34 GLN NE2 N 15 111.211 0.018 . 1 . . . . 34 Q NE2 . 15735 1 424 . 1 1 35 35 ASP H H 1 8.488 0.005 . 1 . . . . 35 D HN . 15735 1 425 . 1 1 35 35 ASP HA H 1 4.608 0.004 . 1 . . . . 35 D HA . 15735 1 426 . 1 1 35 35 ASP HB2 H 1 2.711 0.004 . 2 . . . . 35 D HB2 . 15735 1 427 . 1 1 35 35 ASP HB3 H 1 2.648 0.003 . 2 . . . . 35 D HB3 . 15735 1 428 . 1 1 35 35 ASP CA C 13 54.124 0.073 . 1 . . . . 35 D CA . 15735 1 429 . 1 1 35 35 ASP CB C 13 41.702 0.058 . 1 . . . . 35 D CB . 15735 1 430 . 1 1 35 35 ASP N N 15 122.441 0.036 . 1 . . . . 35 D N . 15735 1 431 . 1 1 36 36 GLN H H 1 8.604 0.007 . 1 . . . . 36 Q HN . 15735 1 432 . 1 1 36 36 GLN HA H 1 4.021 0.002 . 1 . . . . 36 Q HA . 15735 1 433 . 1 1 36 36 GLN HB2 H 1 2.055 0.003 . 2 . . . . 36 Q HB2 . 15735 1 434 . 1 1 36 36 GLN HB3 H 1 1.934 0.005 . 2 . . . . 36 Q HB3 . 15735 1 435 . 1 1 36 36 GLN HE21 H 1 7.621 0.005 . 2 . . . . 36 Q HE21 . 15735 1 436 . 1 1 36 36 GLN HE22 H 1 6.820 0.002 . 2 . . . . 36 Q HE22 . 15735 1 437 . 1 1 36 36 GLN HG2 H 1 2.323 0.001 . 2 . . . . 36 Q HG2 . 15735 1 438 . 1 1 36 36 GLN HG3 H 1 2.268 0.013 . 2 . . . . 36 Q HG3 . 15735 1 439 . 1 1 36 36 GLN CA C 13 57.273 0.077 . 1 . . . . 36 Q CA . 15735 1 440 . 1 1 36 36 GLN CB C 13 29.266 0.038 . 1 . . . . 36 Q CB . 15735 1 441 . 1 1 36 36 GLN CG C 13 33.903 0.023 . 1 . . . . 36 Q CG . 15735 1 442 . 1 1 36 36 GLN N N 15 123.042 0.032 . 1 . . . . 36 Q N . 15735 1 443 . 1 1 36 36 GLN NE2 N 15 113.065 0.031 . 1 . . . . 36 Q NE2 . 15735 1 444 . 1 1 37 37 ALA H H 1 8.313 0.005 . 1 . . . . 37 A HN . 15735 1 445 . 1 1 37 37 ALA HA H 1 4.212 0.004 . 1 . . . . 37 A HA . 15735 1 446 . 1 1 37 37 ALA HB1 H 1 1.364 0.004 . 1 . . . . 37 A HB . 15735 1 447 . 1 1 37 37 ALA HB2 H 1 1.364 0.004 . 1 . . . . 37 A HB . 15735 1 448 . 1 1 37 37 ALA HB3 H 1 1.364 0.004 . 1 . . . . 37 A HB . 15735 1 449 . 1 1 37 37 ALA CA C 13 53.708 0.024 . 1 . . . . 37 A CA . 15735 1 450 . 1 1 37 37 ALA CB C 13 18.949 0.050 . 1 . . . . 37 A CB . 15735 1 451 . 1 1 37 37 ALA N N 15 122.748 0.046 . 1 . . . . 37 A N . 15735 1 452 . 1 1 38 38 SER H H 1 7.949 0.005 . 1 . . . . 38 S HN . 15735 1 453 . 1 1 38 38 SER HA H 1 4.285 0.011 . 1 . . . . 38 S HA . 15735 1 454 . 1 1 38 38 SER HB2 H 1 3.926 0.025 . 2 . . . . 38 S HB2 . 15735 1 455 . 1 1 38 38 SER HB3 H 1 3.853 0.018 . 2 . . . . 38 S HB3 . 15735 1 456 . 1 1 38 38 SER CA C 13 59.468 0.063 . 1 . . . . 38 S CA . 15735 1 457 . 1 1 38 38 SER CB C 13 63.874 0.094 . 1 . . . . 38 S CB . 15735 1 458 . 1 1 38 38 SER N N 15 113.828 0.023 . 1 . . . . 38 S N . 15735 1 459 . 1 1 39 39 LYS H H 1 8.107 0.009 . 1 . . . . 39 K HN . 15735 1 460 . 1 1 39 39 LYS HA H 1 4.124 0.008 . 1 . . . . 39 K HA . 15735 1 461 . 1 1 39 39 LYS HB2 H 1 1.720 0.006 . 2 . . . . 39 K HB . 15735 1 462 . 1 1 39 39 LYS HB3 H 1 1.720 0.006 . 2 . . . . 39 K HB . 15735 1 463 . 1 1 39 39 LYS HD2 H 1 1.571 0.003 . 2 . . . . 39 K HD2 . 15735 1 464 . 1 1 39 39 LYS HD3 H 1 1.571 0.003 . 2 . . . . 39 K HD3 . 15735 1 465 . 1 1 39 39 LYS HE2 H 1 2.885 0.020 . 2 . . . . 39 K HE2 . 15735 1 466 . 1 1 39 39 LYS HE3 H 1 2.884 0.001 . 2 . . . . 39 K HE3 . 15735 1 467 . 1 1 39 39 LYS HG2 H 1 1.353 0.005 . 2 . . . . 39 K HG2 . 15735 1 468 . 1 1 39 39 LYS HG3 H 1 1.288 0.003 . 2 . . . . 39 K HG3 . 15735 1 469 . 1 1 39 39 LYS CA C 13 57.821 0.036 . 1 . . . . 39 K CA . 15735 1 470 . 1 1 39 39 LYS CB C 13 32.978 0.070 . 1 . . . . 39 K CB . 15735 1 471 . 1 1 39 39 LYS CD C 13 29.354 0.042 . 1 . . . . 39 K CD . 15735 1 472 . 1 1 39 39 LYS CE C 13 42.505 0.043 . 1 . . . . 39 K CE . 15735 1 473 . 1 1 39 39 LYS CG C 13 24.926 0.045 . 1 . . . . 39 K CG . 15735 1 474 . 1 1 39 39 LYS N N 15 122.900 0.094 . 1 . . . . 39 K N . 15735 1 475 . 1 1 40 40 ASP H H 1 8.173 0.011 . 1 . . . . 40 D HN . 15735 1 476 . 1 1 40 40 ASP HA H 1 4.477 0.008 . 1 . . . . 40 D HA . 15735 1 477 . 1 1 40 40 ASP HB2 H 1 2.631 0.003 . 2 . . . . 40 D HB2 . 15735 1 478 . 1 1 40 40 ASP HB3 H 1 2.534 0.005 . 2 . . . . 40 D HB3 . 15735 1 479 . 1 1 40 40 ASP CA C 13 55.164 0.024 . 1 . . . . 40 D CA . 15735 1 480 . 1 1 40 40 ASP CB C 13 41.359 0.025 . 1 . . . . 40 D CB . 15735 1 481 . 1 1 40 40 ASP N N 15 119.696 0.032 . 1 . . . . 40 D N . 15735 1 482 . 1 1 41 41 PHE H H 1 8.022 0.006 . 1 . . . . 41 F HN . 15735 1 483 . 1 1 41 41 PHE HA H 1 4.376 0.005 . 1 . . . . 41 F HA . 15735 1 484 . 1 1 41 41 PHE HB2 H 1 3.073 0.004 . 2 . . . . 41 F HB . 15735 1 485 . 1 1 41 41 PHE HB3 H 1 3.073 0.004 . 2 . . . . 41 F HB . 15735 1 486 . 1 1 41 41 PHE HD1 H 1 7.183 0.011 . 3 . . . . 41 F HD . 15735 1 487 . 1 1 41 41 PHE HD2 H 1 7.183 0.011 . 3 . . . . 41 F HD . 15735 1 488 . 1 1 41 41 PHE CA C 13 59.354 0.038 . 1 . . . . 41 F CA . 15735 1 489 . 1 1 41 41 PHE CB C 13 39.414 0.021 . 1 . . . . 41 F CB . 15735 1 490 . 1 1 41 41 PHE N N 15 121.310 0.030 . 1 . . . . 41 F N . 15735 1 491 . 1 1 42 42 ASN H H 1 8.247 0.008 . 1 . . . . 42 N HN . 15735 1 492 . 1 1 42 42 ASN HA H 1 4.483 0.015 . 1 . . . . 42 N HA . 15735 1 493 . 1 1 42 42 ASN HB2 H 1 2.734 0.004 . 2 . . . . 42 N HB2 . 15735 1 494 . 1 1 42 42 ASN HB3 H 1 2.697 0.006 . 2 . . . . 42 N HB3 . 15735 1 495 . 1 1 42 42 ASN HD21 H 1 7.591 0.005 . 2 . . . . 42 N HD21 . 15735 1 496 . 1 1 42 42 ASN HD22 H 1 6.870 0.002 . 2 . . . . 42 N HD22 . 15735 1 497 . 1 1 42 42 ASN CA C 13 54.383 0.062 . 1 . . . . 42 N CA . 15735 1 498 . 1 1 42 42 ASN CB C 13 38.853 0.067 . 1 . . . . 42 N CB . 15735 1 499 . 1 1 42 42 ASN N N 15 119.282 0.079 . 1 . . . . 42 N N . 15735 1 500 . 1 1 42 42 ASN ND2 N 15 112.899 0.033 . 1 . . . . 42 N ND2 . 15735 1 501 . 1 1 43 43 ARG H H 1 8.048 0.010 . 1 . . . . 43 R HN . 15735 1 502 . 1 1 43 43 ARG HA H 1 4.130 0.009 . 1 . . . . 43 R HA . 15735 1 503 . 1 1 43 43 ARG HB2 H 1 1.837 0.005 . 2 . . . . 43 R HB2 . 15735 1 504 . 1 1 43 43 ARG HB3 H 1 1.753 0.002 . 2 . . . . 43 R HB3 . 15735 1 505 . 1 1 43 43 ARG HD2 H 1 3.116 0.001 . 2 . . . . 43 R HD . 15735 1 506 . 1 1 43 43 ARG HD3 H 1 3.116 0.001 . 2 . . . . 43 R HD . 15735 1 507 . 1 1 43 43 ARG HG2 H 1 1.590 0.002 . 2 . . . . 43 R HG2 . 15735 1 508 . 1 1 43 43 ARG HG3 H 1 1.540 0.001 . 2 . . . . 43 R HG3 . 15735 1 509 . 1 1 43 43 ARG CA C 13 57.429 0.171 . 1 . . . . 43 R CA . 15735 1 510 . 1 1 43 43 ARG CB C 13 30.503 0.112 . 1 . . . . 43 R CB . 15735 1 511 . 1 1 43 43 ARG CD C 13 43.563 0.016 . 1 . . . . 43 R CD . 15735 1 512 . 1 1 43 43 ARG CG C 13 27.526 0.032 . 1 . . . . 43 R CG . 15735 1 513 . 1 1 43 43 ARG N N 15 121.050 0.143 . 1 . . . . 43 R N . 15735 1 514 . 1 1 44 44 SER H H 1 8.111 0.005 . 1 . . . . 44 S HN . 15735 1 515 . 1 1 44 44 SER HA H 1 4.262 0.004 . 1 . . . . 44 S HA . 15735 1 516 . 1 1 44 44 SER HB2 H 1 3.888 0.047 . 2 . . . . 44 S HB2 . 15735 1 517 . 1 1 44 44 SER HB3 H 1 3.829 0.003 . 2 . . . . 44 S HB3 . 15735 1 518 . 1 1 44 44 SER CA C 13 59.660 0.057 . 1 . . . . 44 S CA . 15735 1 519 . 1 1 44 44 SER CB C 13 63.810 0.004 . 1 . . . . 44 S CB . 15735 1 520 . 1 1 44 44 SER N N 15 115.587 0.039 . 1 . . . . 44 S N . 15735 1 521 . 1 1 45 45 LYS H H 1 7.968 0.010 . 1 . . . . 45 K HN . 15735 1 522 . 1 1 45 45 LYS HA H 1 4.132 0.008 . 1 . . . . 45 K HA . 15735 1 523 . 1 1 45 45 LYS HB2 H 1 1.745 0.002 . 2 . . . . 45 K HB2 . 15735 1 524 . 1 1 45 45 LYS HE2 H 1 2.876 0.020 . 2 . . . . 45 K HE . 15735 1 525 . 1 1 45 45 LYS HE3 H 1 2.876 0.020 . 2 . . . . 45 K HE . 15735 1 526 . 1 1 45 45 LYS CA C 13 57.193 0.041 . 1 . . . . 45 K CA . 15735 1 527 . 1 1 45 45 LYS CB C 13 32.534 0.209 . 1 . . . . 45 K CB . 15735 1 528 . 1 1 45 45 LYS CE C 13 42.257 0.200 . 1 . . . . 45 K CE . 15735 1 529 . 1 1 45 45 LYS N N 15 122.205 0.196 . 1 . . . . 45 K N . 15735 1 530 . 1 1 46 46 ALA H H 1 7.936 0.006 . 1 . . . . 46 A HN . 15735 1 531 . 1 1 46 46 ALA HA H 1 4.179 0.033 . 1 . . . . 46 A HA . 15735 1 532 . 1 1 46 46 ALA HB1 H 1 1.292 0.022 . 1 . . . . 46 A HB . 15735 1 533 . 1 1 46 46 ALA HB2 H 1 1.292 0.022 . 1 . . . . 46 A HB . 15735 1 534 . 1 1 46 46 ALA HB3 H 1 1.292 0.022 . 1 . . . . 46 A HB . 15735 1 535 . 1 1 46 46 ALA CA C 13 53.196 0.033 . 1 . . . . 46 A CA . 15735 1 536 . 1 1 46 46 ALA CB C 13 19.279 0.048 . 1 . . . . 46 A CB . 15735 1 537 . 1 1 46 46 ALA N N 15 123.430 0.187 . 1 . . . . 46 A N . 15735 1 538 . 1 1 47 47 LEU H H 1 7.873 0.006 . 1 . . . . 47 L HN . 15735 1 539 . 1 1 47 47 LEU HA H 1 4.147 0.008 . 1 . . . . 47 L HA . 15735 1 540 . 1 1 47 47 LEU HB2 H 1 1.468 0.003 . 2 . . . . 47 L HB2 . 15735 1 541 . 1 1 47 47 LEU HB3 H 1 1.328 0.001 . 2 . . . . 47 L HB3 . 15735 1 542 . 1 1 47 47 LEU HD11 H 1 0.792 0.001 . 2 . . . . 47 L HD1 . 15735 1 543 . 1 1 47 47 LEU HD12 H 1 0.792 0.001 . 2 . . . . 47 L HD1 . 15735 1 544 . 1 1 47 47 LEU HD13 H 1 0.792 0.001 . 2 . . . . 47 L HD1 . 15735 1 545 . 1 1 47 47 LEU HD21 H 1 0.738 0.001 . 2 . . . . 47 L HD2 . 15735 1 546 . 1 1 47 47 LEU HD22 H 1 0.738 0.001 . 2 . . . . 47 L HD2 . 15735 1 547 . 1 1 47 47 LEU HD23 H 1 0.738 0.001 . 2 . . . . 47 L HD2 . 15735 1 548 . 1 1 47 47 LEU HG H 1 1.467 0.001 . 1 . . . . 47 L HG . 15735 1 549 . 1 1 47 47 LEU CA C 13 55.854 0.049 . 1 . . . . 47 L CA . 15735 1 550 . 1 1 47 47 LEU CB C 13 42.536 0.085 . 1 . . . . 47 L CB . 15735 1 551 . 1 1 47 47 LEU CD1 C 13 25.125 0.006 . 2 . . . . 47 L CD1 . 15735 1 552 . 1 1 47 47 LEU CD2 C 13 23.633 0.027 . 2 . . . . 47 L CD2 . 15735 1 553 . 1 1 47 47 LEU CG C 13 27.224 0.022 . 1 . . . . 47 L CG . 15735 1 554 . 1 1 47 47 LEU N N 15 119.760 0.143 . 1 . . . . 47 L N . 15735 1 555 . 1 1 48 48 PHE H H 1 7.960 0.005 . 1 . . . . 48 F HN . 15735 1 556 . 1 1 48 48 PHE HA H 1 4.540 0.005 . 1 . . . . 48 F HA . 15735 1 557 . 1 1 48 48 PHE HB2 H 1 3.103 0.002 . 2 . . . . 48 F HB2 . 15735 1 558 . 1 1 48 48 PHE HB3 H 1 2.969 0.007 . 2 . . . . 48 F HB3 . 15735 1 559 . 1 1 48 48 PHE HD1 H 1 7.164 0.020 . 3 . . . . 48 F HD . 15735 1 560 . 1 1 48 48 PHE HD2 H 1 7.164 0.020 . 3 . . . . 48 F HD . 15735 1 561 . 1 1 48 48 PHE CA C 13 58.150 0.009 . 1 . . . . 48 F CA . 15735 1 562 . 1 1 48 48 PHE CB C 13 39.499 0.127 . 1 . . . . 48 F CB . 15735 1 563 . 1 1 48 48 PHE N N 15 119.481 0.036 . 1 . . . . 48 F N . 15735 1 564 . 1 1 49 49 SER H H 1 8.011 0.004 . 1 . . . . 49 S HN . 15735 1 565 . 1 1 49 49 SER HA H 1 4.333 0.020 . 1 . . . . 49 S HA . 15735 1 566 . 1 1 49 49 SER CA C 13 58.675 0.033 . 1 . . . . 49 S CA . 15735 1 567 . 1 1 49 49 SER N N 15 116.263 0.016 . 1 . . . . 49 S N . 15735 1 568 . 1 1 50 50 GLN H H 1 8.252 0.002 . 1 . . . . 50 Q HN . 15735 1 569 . 1 1 50 50 GLN HA H 1 4.250 0.020 . 1 . . . . 50 Q HA . 15735 1 570 . 1 1 50 50 GLN HB2 H 1 2.087 0.020 . 2 . . . . 50 Q HB2 . 15735 1 571 . 1 1 50 50 GLN HB3 H 1 1.951 0.020 . 2 . . . . 50 Q HB3 . 15735 1 572 . 1 1 50 50 GLN HE21 H 1 7.437 0.020 . 2 . . . . 50 Q HE21 . 15735 1 573 . 1 1 50 50 GLN HE22 H 1 6.775 0.020 . 2 . . . . 50 Q HE22 . 15735 1 574 . 1 1 50 50 GLN HG2 H 1 2.306 0.020 . 2 . . . . 50 Q QG . 15735 1 575 . 1 1 50 50 GLN HG3 H 1 2.306 0.020 . 2 . . . . 50 Q QG . 15735 1 576 . 1 1 50 50 GLN CA C 13 56.570 0.040 . 1 . . . . 50 Q CA . 15735 1 577 . 1 1 50 50 GLN CB C 13 29.372 0.200 . 1 . . . . 50 Q CB . 15735 1 578 . 1 1 50 50 GLN CG C 13 34.042 0.200 . 1 . . . . 50 Q CG . 15735 1 579 . 1 1 50 50 GLN N N 15 121.890 0.078 . 1 . . . . 50 Q N . 15735 1 580 . 1 1 50 50 GLN NE2 N 15 112.121 0.006 . 1 . . . . 50 Q NE2 . 15735 1 581 . 1 1 51 51 SER H H 1 8.143 0.004 . 1 . . . . 51 S HN . 15735 1 582 . 1 1 51 51 SER HA H 1 4.332 0.020 . 1 . . . . 51 S HA . 15735 1 583 . 1 1 51 51 SER CA C 13 58.848 0.033 . 1 . . . . 51 S CA . 15735 1 584 . 1 1 51 51 SER N N 15 115.677 0.004 . 1 . . . . 51 S N . 15735 1 585 . 1 1 52 52 ALA H H 1 8.168 0.004 . 1 . . . . 52 A HN . 15735 1 586 . 1 1 52 52 ALA HA H 1 4.261 0.008 . 1 . . . . 52 A HA . 15735 1 587 . 1 1 52 52 ALA HB1 H 1 1.326 0.020 . 1 . . . . 52 A HB . 15735 1 588 . 1 1 52 52 ALA HB2 H 1 1.326 0.020 . 1 . . . . 52 A HB . 15735 1 589 . 1 1 52 52 ALA HB3 H 1 1.326 0.020 . 1 . . . . 52 A HB . 15735 1 590 . 1 1 52 52 ALA CA C 13 53.119 0.007 . 1 . . . . 52 A CA . 15735 1 591 . 1 1 52 52 ALA CB C 13 19.175 0.200 . 1 . . . . 52 A CB . 15735 1 592 . 1 1 52 52 ALA N N 15 125.354 0.014 . 1 . . . . 52 A N . 15735 1 593 . 1 1 53 53 ILE H H 1 7.858 0.005 . 1 . . . . 53 I HN . 15735 1 594 . 1 1 53 53 ILE HA H 1 4.094 0.001 . 1 . . . . 53 I HA . 15735 1 595 . 1 1 53 53 ILE HB H 1 1.812 0.001 . 1 . . . . 53 I HB . 15735 1 596 . 1 1 53 53 ILE HD11 H 1 0.781 0.020 . 1 . . . . 53 I HD1 . 15735 1 597 . 1 1 53 53 ILE HD12 H 1 0.781 0.020 . 1 . . . . 53 I HD1 . 15735 1 598 . 1 1 53 53 ILE HD13 H 1 0.781 0.020 . 1 . . . . 53 I HD1 . 15735 1 599 . 1 1 53 53 ILE HG12 H 1 1.394 0.020 . 2 . . . . 53 I HG12 . 15735 1 600 . 1 1 53 53 ILE HG13 H 1 1.116 0.020 . 2 . . . . 53 I HG13 . 15735 1 601 . 1 1 53 53 ILE HG21 H 1 0.833 0.020 . 1 . . . . 53 I HG2 . 15735 1 602 . 1 1 53 53 ILE HG22 H 1 0.833 0.020 . 1 . . . . 53 I HG2 . 15735 1 603 . 1 1 53 53 ILE HG23 H 1 0.833 0.020 . 1 . . . . 53 I HG2 . 15735 1 604 . 1 1 53 53 ILE CA C 13 61.666 0.043 . 1 . . . . 53 I CA . 15735 1 605 . 1 1 53 53 ILE CB C 13 39.015 0.019 . 1 . . . . 53 I CB . 15735 1 606 . 1 1 53 53 ILE CD1 C 13 13.263 0.200 . 1 . . . . 53 I CD1 . 15735 1 607 . 1 1 53 53 ILE CG1 C 13 27.512 0.011 . 1 . . . . 53 I CG1 . 15735 1 608 . 1 1 53 53 ILE CG2 C 13 17.721 0.200 . 1 . . . . 53 I CG2 . 15735 1 609 . 1 1 53 53 ILE N N 15 118.218 0.012 . 1 . . . . 53 I N . 15735 1 610 . 1 1 54 54 SER H H 1 8.152 0.006 . 1 . . . . 54 S HN . 15735 1 611 . 1 1 54 54 SER HA H 1 4.348 0.013 . 1 . . . . 54 S HA . 15735 1 612 . 1 1 54 54 SER HB2 H 1 3.817 0.005 . 2 . . . . 54 S HB2 . 15735 1 613 . 1 1 54 54 SER HB3 H 1 3.816 0.005 . 2 . . . . 54 S HB3 . 15735 1 614 . 1 1 54 54 SER CA C 13 58.678 0.081 . 1 . . . . 54 S CA . 15735 1 615 . 1 1 54 54 SER CB C 13 64.002 0.073 . 1 . . . . 54 S CB . 15735 1 616 . 1 1 54 54 SER N N 15 118.590 0.017 . 1 . . . . 54 S N . 15735 1 617 . 1 1 55 55 GLN H H 1 8.298 0.005 . 1 . . . . 55 Q HN . 15735 1 618 . 1 1 55 55 GLN HA H 1 4.198 0.005 . 1 . . . . 55 Q HA . 15735 1 619 . 1 1 55 55 GLN HB2 H 1 2.072 0.002 . 2 . . . . 55 Q HB2 . 15735 1 620 . 1 1 55 55 GLN HB3 H 1 1.942 0.020 . 2 . . . . 55 Q HB3 . 15735 1 621 . 1 1 55 55 GLN HE21 H 1 7.522 0.004 . 2 . . . . 55 Q HE21 . 15735 1 622 . 1 1 55 55 GLN HE22 H 1 6.745 0.002 . 2 . . . . 55 Q HE22 . 15735 1 623 . 1 1 55 55 GLN HG2 H 1 2.289 0.020 . 2 . . . . 55 Q QG . 15735 1 624 . 1 1 55 55 GLN HG3 H 1 2.289 0.020 . 2 . . . . 55 Q QG . 15735 1 625 . 1 1 55 55 GLN CA C 13 56.690 0.020 . 1 . . . . 55 Q CA . 15735 1 626 . 1 1 55 55 GLN CB C 13 29.393 0.050 . 1 . . . . 55 Q CB . 15735 1 627 . 1 1 55 55 GLN CG C 13 34.006 0.200 . 1 . . . . 55 Q CG . 15735 1 628 . 1 1 55 55 GLN N N 15 122.154 0.011 . 1 . . . . 55 Q N . 15735 1 629 . 1 1 55 55 GLN NE2 N 15 112.294 0.236 . 1 . . . . 55 Q NE2 . 15735 1 630 . 1 1 56 56 LYS H H 1 8.153 0.006 . 1 . . . . 56 K HN . 15735 1 631 . 1 1 56 56 LYS HA H 1 4.161 0.012 . 1 . . . . 56 K HA . 15735 1 632 . 1 1 56 56 LYS HB2 H 1 1.682 0.007 . 2 . . . . 56 K HB2 . 15735 1 633 . 1 1 56 56 LYS HB3 H 1 1.681 0.007 . 2 . . . . 56 K HB3 . 15735 1 634 . 1 1 56 56 LYS HG2 H 1 1.331 0.004 . 2 . . . . 56 K HG2 . 15735 1 635 . 1 1 56 56 LYS HG3 H 1 1.328 0.003 . 2 . . . . 56 K HG3 . 15735 1 636 . 1 1 56 56 LYS CA C 13 57.174 0.017 . 1 . . . . 56 K CA . 15735 1 637 . 1 1 56 56 LYS CB C 13 32.991 0.015 . 1 . . . . 56 K CB . 15735 1 638 . 1 1 56 56 LYS CG C 13 24.912 0.014 . 1 . . . . 56 K CG . 15735 1 639 . 1 1 56 56 LYS N N 15 121.127 0.033 . 1 . . . . 56 K N . 15735 1 640 . 1 1 57 57 GLU H H 1 8.201 0.004 . 1 . . . . 57 E HN . 15735 1 641 . 1 1 57 57 GLU HA H 1 4.151 0.010 . 1 . . . . 57 E HA . 15735 1 642 . 1 1 57 57 GLU HB2 H 1 1.921 0.001 . 2 . . . . 57 E HB2 . 15735 1 643 . 1 1 57 57 GLU HB3 H 1 1.851 0.004 . 2 . . . . 57 E HB3 . 15735 1 644 . 1 1 57 57 GLU HG2 H 1 2.142 0.002 . 2 . . . . 57 E HG2 . 15735 1 645 . 1 1 57 57 GLU HG3 H 1 2.127 0.009 . 2 . . . . 57 E HG3 . 15735 1 646 . 1 1 57 57 GLU CA C 13 57.273 0.022 . 1 . . . . 57 E CA . 15735 1 647 . 1 1 57 57 GLU CB C 13 30.262 0.049 . 1 . . . . 57 E CB . 15735 1 648 . 1 1 57 57 GLU CG C 13 36.575 0.009 . 1 . . . . 57 E CG . 15735 1 649 . 1 1 57 57 GLU N N 15 120.626 0.029 . 1 . . . . 57 E N . 15735 1 650 . 1 1 58 58 TYR H H 1 8.057 0.004 . 1 . . . . 58 Y HN . 15735 1 651 . 1 1 58 58 TYR HA H 1 4.375 0.003 . 1 . . . . 58 Y HA . 15735 1 652 . 1 1 58 58 TYR HB2 H 1 2.942 0.005 . 2 . . . . 58 Y HB2 . 15735 1 653 . 1 1 58 58 TYR HB3 H 1 2.890 0.006 . 2 . . . . 58 Y HB3 . 15735 1 654 . 1 1 58 58 TYR HD1 H 1 7.003 0.002 . 3 . . . . 58 Y HD . 15735 1 655 . 1 1 58 58 TYR HD2 H 1 7.003 0.002 . 3 . . . . 58 Y HD . 15735 1 656 . 1 1 58 58 TYR HE1 H 1 6.711 0.005 . 3 . . . . 58 Y HE . 15735 1 657 . 1 1 58 58 TYR HE2 H 1 6.711 0.005 . 3 . . . . 58 Y HE . 15735 1 658 . 1 1 58 58 TYR CA C 13 58.721 0.062 . 1 . . . . 58 Y CA . 15735 1 659 . 1 1 58 58 TYR CB C 13 39.096 0.044 . 1 . . . . 58 Y CB . 15735 1 660 . 1 1 58 58 TYR N N 15 120.841 0.024 . 1 . . . . 58 Y N . 15735 1 661 . 1 1 59 59 ASP H H 1 8.144 0.005 . 1 . . . . 59 D HN . 15735 1 662 . 1 1 59 59 ASP HA H 1 4.493 0.004 . 1 . . . . 59 D HA . 15735 1 663 . 1 1 59 59 ASP HB2 H 1 2.649 0.004 . 2 . . . . 59 D HB2 . 15735 1 664 . 1 1 59 59 ASP HB3 H 1 2.543 0.006 . 2 . . . . 59 D HB3 . 15735 1 665 . 1 1 59 59 ASP CA C 13 54.505 0.027 . 1 . . . . 59 D CA . 15735 1 666 . 1 1 59 59 ASP CB C 13 41.233 0.005 . 1 . . . . 59 D CB . 15735 1 667 . 1 1 59 59 ASP N N 15 122.549 0.035 . 1 . . . . 59 D N . 15735 1 668 . 1 1 60 60 SER H H 1 8.245 0.009 . 1 . . . . 60 S HN . 15735 1 669 . 1 1 60 60 SER HA H 1 4.255 0.020 . 1 . . . . 60 S HA . 15735 1 670 . 1 1 60 60 SER CA C 13 59.650 0.079 . 1 . . . . 60 S CA . 15735 1 671 . 1 1 60 60 SER N N 15 117.646 0.013 . 1 . . . . 60 S N . 15735 1 672 . 1 1 61 61 SER H H 1 8.329 0.014 . 1 . . . . 61 S HN . 15735 1 673 . 1 1 61 61 SER HA H 1 4.307 0.002 . 1 . . . . 61 S HA . 15735 1 674 . 1 1 61 61 SER HB2 H 1 3.820 0.002 . 2 . . . . 61 S HB2 . 15735 1 675 . 1 1 61 61 SER HB3 H 1 3.855 0.001 . 2 . . . . 61 S HB3 . 15735 1 676 . 1 1 61 61 SER CA C 13 59.882 0.040 . 1 . . . . 61 S CA . 15735 1 677 . 1 1 61 61 SER CB C 13 63.888 0.033 . 1 . . . . 61 S CB . 15735 1 678 . 1 1 61 61 SER N N 15 118.138 0.010 . 1 . . . . 61 S N . 15735 1 679 . 1 1 62 62 LEU H H 1 7.753 0.005 . 1 . . . . 62 L HN . 15735 1 680 . 1 1 62 62 LEU HA H 1 4.227 0.005 . 1 . . . . 62 L HA . 15735 1 681 . 1 1 62 62 LEU HB2 H 1 1.574 0.006 . 2 . . . . 62 L HB2 . 15735 1 682 . 1 1 62 62 LEU HB3 H 1 1.512 0.002 . 2 . . . . 62 L HB3 . 15735 1 683 . 1 1 62 62 LEU HD11 H 1 0.824 0.020 . 2 . . . . 62 L HD1 . 15735 1 684 . 1 1 62 62 LEU HD12 H 1 0.824 0.020 . 2 . . . . 62 L HD1 . 15735 1 685 . 1 1 62 62 LEU HD13 H 1 0.824 0.020 . 2 . . . . 62 L HD1 . 15735 1 686 . 1 1 62 62 LEU HD21 H 1 0.773 0.001 . 2 . . . . 62 L HD2 . 15735 1 687 . 1 1 62 62 LEU HD22 H 1 0.773 0.001 . 2 . . . . 62 L HD2 . 15735 1 688 . 1 1 62 62 LEU HD23 H 1 0.773 0.001 . 2 . . . . 62 L HD2 . 15735 1 689 . 1 1 62 62 LEU HG H 1 1.519 0.001 . 1 . . . . 62 L HG . 15735 1 690 . 1 1 62 62 LEU CA C 13 55.640 0.033 . 1 . . . . 62 L CA . 15735 1 691 . 1 1 62 62 LEU CB C 13 42.389 0.059 . 1 . . . . 62 L CB . 15735 1 692 . 1 1 62 62 LEU CD1 C 13 25.374 0.024 . 2 . . . . 62 L CD1 . 15735 1 693 . 1 1 62 62 LEU CD2 C 13 23.699 0.069 . 2 . . . . 62 L CD2 . 15735 1 694 . 1 1 62 62 LEU CG C 13 27.167 0.018 . 1 . . . . 62 L CG . 15735 1 695 . 1 1 62 62 LEU N N 15 122.616 0.031 . 1 . . . . 62 L N . 15735 1 696 . 1 1 63 63 ALA H H 1 7.908 0.008 . 1 . . . . 63 A HN . 15735 1 697 . 1 1 63 63 ALA HA H 1 4.266 0.005 . 1 . . . . 63 A HA . 15735 1 698 . 1 1 63 63 ALA HB1 H 1 1.334 0.004 . 1 . . . . 63 A HB . 15735 1 699 . 1 1 63 63 ALA HB2 H 1 1.334 0.004 . 1 . . . . 63 A HB . 15735 1 700 . 1 1 63 63 ALA HB3 H 1 1.334 0.004 . 1 . . . . 63 A HB . 15735 1 701 . 1 1 63 63 ALA CA C 13 53.071 0.084 . 1 . . . . 63 A CA . 15735 1 702 . 1 1 63 63 ALA CB C 13 19.373 0.025 . 1 . . . . 63 A CB . 15735 1 703 . 1 1 63 63 ALA N N 15 123.326 0.014 . 1 . . . . 63 A N . 15735 1 704 . 1 1 64 64 THR H H 1 7.855 0.007 . 1 . . . . 64 T HN . 15735 1 705 . 1 1 64 64 THR HA H 1 4.212 0.002 . 1 . . . . 64 T HA . 15735 1 706 . 1 1 64 64 THR HB H 1 4.164 0.002 . 1 . . . . 64 T HB . 15735 1 707 . 1 1 64 64 THR HG21 H 1 1.103 0.002 . 1 . . . . 64 T HG2 . 15735 1 708 . 1 1 64 64 THR HG22 H 1 1.103 0.002 . 1 . . . . 64 T HG2 . 15735 1 709 . 1 1 64 64 THR HG23 H 1 1.103 0.002 . 1 . . . . 64 T HG2 . 15735 1 710 . 1 1 64 64 THR CA C 13 61.955 0.090 . 1 . . . . 64 T CA . 15735 1 711 . 1 1 64 64 THR CB C 13 69.997 0.059 . 1 . . . . 64 T CB . 15735 1 712 . 1 1 64 64 THR CG2 C 13 21.834 0.200 . 1 . . . . 64 T CG2 . 15735 1 713 . 1 1 64 64 THR N N 15 112.019 0.007 . 1 . . . . 64 T N . 15735 1 714 . 1 1 65 65 LEU H H 1 7.970 0.006 . 1 . . . . 65 L HN . 15735 1 715 . 1 1 65 65 LEU HA H 1 4.290 0.007 . 1 . . . . 65 L HA . 15735 1 716 . 1 1 65 65 LEU HB2 H 1 1.545 0.003 . 2 . . . . 65 L HB2 . 15735 1 717 . 1 1 65 65 LEU HB3 H 1 1.418 0.006 . 2 . . . . 65 L HB3 . 15735 1 718 . 1 1 65 65 LEU HD11 H 1 0.824 0.020 . 2 . . . . 65 L HD1 . 15735 1 719 . 1 1 65 65 LEU HD12 H 1 0.824 0.020 . 2 . . . . 65 L HD1 . 15735 1 720 . 1 1 65 65 LEU HD13 H 1 0.824 0.020 . 2 . . . . 65 L HD1 . 15735 1 721 . 1 1 65 65 LEU HD21 H 1 0.769 0.003 . 2 . . . . 65 L HD2 . 15735 1 722 . 1 1 65 65 LEU HD22 H 1 0.769 0.003 . 2 . . . . 65 L HD2 . 15735 1 723 . 1 1 65 65 LEU HD23 H 1 0.769 0.003 . 2 . . . . 65 L HD2 . 15735 1 724 . 1 1 65 65 LEU HG H 1 1.536 0.020 . 1 . . . . 65 L HG . 15735 1 725 . 1 1 65 65 LEU CA C 13 55.509 0.086 . 1 . . . . 65 L CA . 15735 1 726 . 1 1 65 65 LEU CB C 13 42.619 0.047 . 1 . . . . 65 L CB . 15735 1 727 . 1 1 65 65 LEU CD1 C 13 25.249 0.200 . 2 . . . . 65 L CD1 . 15735 1 728 . 1 1 65 65 LEU CD2 C 13 23.886 0.200 . 2 . . . . 65 L CD2 . 15735 1 729 . 1 1 65 65 LEU CG C 13 27.247 0.200 . 1 . . . . 65 L CG . 15735 1 730 . 1 1 65 65 LEU N N 15 123.564 0.012 . 1 . . . . 65 L N . 15735 1 731 . 1 1 66 66 ASP H H 1 8.271 0.005 . 1 . . . . 66 D HN . 15735 1 732 . 1 1 66 66 ASP HA H 1 4.538 0.003 . 1 . . . . 66 D HA . 15735 1 733 . 1 1 66 66 ASP HB2 H 1 2.627 0.004 . 2 . . . . 66 D HB2 . 15735 1 734 . 1 1 66 66 ASP HB3 H 1 2.490 0.008 . 2 . . . . 66 D HB3 . 15735 1 735 . 1 1 66 66 ASP CA C 13 54.906 0.045 . 1 . . . . 66 D CA . 15735 1 736 . 1 1 66 66 ASP CB C 13 41.384 0.200 . 1 . . . . 66 D CB . 15735 1 737 . 1 1 66 66 ASP N N 15 120.385 0.016 . 1 . . . . 66 D N . 15735 1 738 . 1 1 67 67 HIS H H 1 8.020 0.008 . 1 . . . . 67 H HN . 15735 1 739 . 1 1 67 67 HIS HA H 1 5.236 0.003 . 1 . . . . 67 H HA . 15735 1 740 . 1 1 67 67 HIS HB2 H 1 2.953 0.006 . 2 . . . . 67 H HB2 . 15735 1 741 . 1 1 67 67 HIS HB3 H 1 2.934 0.006 . 2 . . . . 67 H HB3 . 15735 1 742 . 1 1 67 67 HIS HD2 H 1 6.771 0.005 . 1 . . . . 67 H HD2 . 15735 1 743 . 1 1 67 67 HIS HE1 H 1 7.918 0.001 . 1 . . . . 67 H HE1 . 15735 1 744 . 1 1 67 67 HIS CA C 13 55.411 0.036 . 1 . . . . 67 H CA . 15735 1 745 . 1 1 67 67 HIS CB C 13 32.135 0.048 . 1 . . . . 67 H CB . 15735 1 746 . 1 1 67 67 HIS N N 15 119.214 0.043 . 1 . . . . 67 H N . 15735 1 747 . 1 1 68 68 THR H H 1 8.903 0.006 . 1 . . . . 68 T HN . 15735 1 748 . 1 1 68 68 THR HA H 1 4.474 0.002 . 1 . . . . 68 T HA . 15735 1 749 . 1 1 68 68 THR HB H 1 3.820 0.003 . 1 . . . . 68 T HB . 15735 1 750 . 1 1 68 68 THR HG21 H 1 1.040 0.020 . 1 . . . . 68 T HG2 . 15735 1 751 . 1 1 68 68 THR HG22 H 1 1.040 0.020 . 1 . . . . 68 T HG2 . 15735 1 752 . 1 1 68 68 THR HG23 H 1 1.040 0.020 . 1 . . . . 68 T HG2 . 15735 1 753 . 1 1 68 68 THR CA C 13 62.536 0.042 . 1 . . . . 68 T CA . 15735 1 754 . 1 1 68 68 THR CB C 13 71.267 0.048 . 1 . . . . 68 T CB . 15735 1 755 . 1 1 68 68 THR CG2 C 13 21.584 0.200 . 1 . . . . 68 T CG2 . 15735 1 756 . 1 1 68 68 THR N N 15 117.138 0.018 . 1 . . . . 68 T N . 15735 1 757 . 1 1 69 69 GLU H H 1 8.630 0.008 . 1 . . . . 69 E HN . 15735 1 758 . 1 1 69 69 GLU HA H 1 4.480 0.020 . 1 . . . . 69 E HA . 15735 1 759 . 1 1 69 69 GLU HB2 H 1 1.938 0.004 . 2 . . . . 69 E HB2 . 15735 1 760 . 1 1 69 69 GLU HB3 H 1 1.884 0.011 . 2 . . . . 69 E HB3 . 15735 1 761 . 1 1 69 69 GLU HG2 H 1 2.305 0.016 . 2 . . . . 69 E QG . 15735 1 762 . 1 1 69 69 GLU HG3 H 1 2.305 0.016 . 2 . . . . 69 E QG . 15735 1 763 . 1 1 69 69 GLU CA C 13 56.016 0.045 . 1 . . . . 69 E CA . 15735 1 764 . 1 1 69 69 GLU CB C 13 31.824 0.077 . 1 . . . . 69 E CB . 15735 1 765 . 1 1 69 69 GLU CG C 13 37.260 0.200 . 1 . . . . 69 E CG . 15735 1 766 . 1 1 69 69 GLU N N 15 124.226 0.036 . 1 . . . . 69 E N . 15735 1 767 . 1 1 70 70 ILE H H 1 8.589 0.006 . 1 . . . . 70 I HN . 15735 1 768 . 1 1 70 70 ILE HA H 1 4.405 0.006 . 1 . . . . 70 I HA . 15735 1 769 . 1 1 70 70 ILE HB H 1 2.072 0.005 . 1 . . . . 70 I HB . 15735 1 770 . 1 1 70 70 ILE HD11 H 1 0.635 0.020 . 1 . . . . 70 I HD1 . 15735 1 771 . 1 1 70 70 ILE HD12 H 1 0.635 0.020 . 1 . . . . 70 I HD1 . 15735 1 772 . 1 1 70 70 ILE HD13 H 1 0.635 0.020 . 1 . . . . 70 I HD1 . 15735 1 773 . 1 1 70 70 ILE HG12 H 1 1.360 0.020 . 2 . . . . 70 I HG12 . 15735 1 774 . 1 1 70 70 ILE HG13 H 1 1.133 0.020 . 2 . . . . 70 I HG13 . 15735 1 775 . 1 1 70 70 ILE HG21 H 1 0.843 0.020 . 1 . . . . 70 I HG2 . 15735 1 776 . 1 1 70 70 ILE HG22 H 1 0.843 0.020 . 1 . . . . 70 I HG2 . 15735 1 777 . 1 1 70 70 ILE HG23 H 1 0.843 0.020 . 1 . . . . 70 I HG2 . 15735 1 778 . 1 1 70 70 ILE CA C 13 59.367 0.086 . 1 . . . . 70 I CA . 15735 1 779 . 1 1 70 70 ILE CB C 13 37.492 0.140 . 1 . . . . 70 I CB . 15735 1 780 . 1 1 70 70 ILE CD1 C 13 11.791 0.200 . 1 . . . . 70 I CD1 . 15735 1 781 . 1 1 70 70 ILE CG1 C 13 26.631 0.027 . 1 . . . . 70 I CG1 . 15735 1 782 . 1 1 70 70 ILE CG2 C 13 17.207 0.200 . 1 . . . . 70 I CG2 . 15735 1 783 . 1 1 70 70 ILE N N 15 123.526 0.015 . 1 . . . . 70 I N . 15735 1 784 . 1 1 71 71 LYS H H 1 8.910 0.011 . 1 . . . . 71 K HN . 15735 1 785 . 1 1 71 71 LYS HA H 1 5.070 0.002 . 1 . . . . 71 K HA . 15735 1 786 . 1 1 71 71 LYS HB2 H 1 1.508 0.009 . 2 . . . . 71 K HB2 . 15735 1 787 . 1 1 71 71 LYS HB3 H 1 1.190 0.020 . 2 . . . . 71 K HB3 . 15735 1 788 . 1 1 71 71 LYS HE2 H 1 2.911 0.002 . 2 . . . . 71 K HE2 . 15735 1 789 . 1 1 71 71 LYS HE3 H 1 2.803 0.002 . 2 . . . . 71 K HE3 . 15735 1 790 . 1 1 71 71 LYS CA C 13 54.732 0.041 . 1 . . . . 71 K CA . 15735 1 791 . 1 1 71 71 LYS CB C 13 36.388 0.039 . 1 . . . . 71 K CB . 15735 1 792 . 1 1 71 71 LYS CE C 13 42.876 0.102 . 1 . . . . 71 K CE . 15735 1 793 . 1 1 71 71 LYS N N 15 128.313 0.036 . 1 . . . . 71 K N . 15735 1 794 . 1 1 72 72 ALA H H 1 8.623 0.007 . 1 . . . . 72 A HN . 15735 1 795 . 1 1 72 72 ALA HA H 1 4.060 0.002 . 1 . . . . 72 A HA . 15735 1 796 . 1 1 72 72 ALA HB1 H 1 1.236 0.004 . 1 . . . . 72 A HB . 15735 1 797 . 1 1 72 72 ALA HB2 H 1 1.236 0.004 . 1 . . . . 72 A HB . 15735 1 798 . 1 1 72 72 ALA HB3 H 1 1.236 0.004 . 1 . . . . 72 A HB . 15735 1 799 . 1 1 72 72 ALA CA C 13 50.119 0.020 . 1 . . . . 72 A CA . 15735 1 800 . 1 1 72 72 ALA CB C 13 17.261 0.022 . 1 . . . . 72 A CB . 15735 1 801 . 1 1 72 72 ALA N N 15 123.091 0.028 . 1 . . . . 72 A N . 15735 1 802 . 1 1 73 73 PRO HA H 1 4.328 0.004 . 1 . . . . 73 P HA . 15735 1 803 . 1 1 73 73 PRO HB2 H 1 2.065 0.008 . 2 . . . . 73 P HB2 . 15735 1 804 . 1 1 73 73 PRO HB3 H 1 1.649 0.003 . 2 . . . . 73 P HB3 . 15735 1 805 . 1 1 73 73 PRO HD2 H 1 3.609 0.002 . 2 . . . . 73 P HD2 . 15735 1 806 . 1 1 73 73 PRO HD3 H 1 3.037 0.002 . 2 . . . . 73 P HD3 . 15735 1 807 . 1 1 73 73 PRO HG2 H 1 1.648 0.020 . 2 . . . . 73 P HG2 . 15735 1 808 . 1 1 73 73 PRO HG3 H 1 0.825 0.011 . 2 . . . . 73 P HG3 . 15735 1 809 . 1 1 73 73 PRO CA C 13 63.731 0.012 . 1 . . . . 73 P CA . 15735 1 810 . 1 1 73 73 PRO CB C 13 32.196 0.047 . 1 . . . . 73 P CB . 15735 1 811 . 1 1 73 73 PRO CD C 13 50.956 0.059 . 1 . . . . 73 P CD . 15735 1 812 . 1 1 73 73 PRO CG C 13 26.361 0.097 . 1 . . . . 73 P CG . 15735 1 813 . 1 1 74 74 PHE H H 1 6.758 0.005 . 1 . . . . 74 F HN . 15735 1 814 . 1 1 74 74 PHE HA H 1 4.414 0.004 . 1 . . . . 74 F HA . 15735 1 815 . 1 1 74 74 PHE HB2 H 1 3.357 0.002 . 2 . . . . 74 F HB2 . 15735 1 816 . 1 1 74 74 PHE HB3 H 1 3.001 0.004 . 2 . . . . 74 F HB3 . 15735 1 817 . 1 1 74 74 PHE HD1 H 1 6.974 0.008 . 3 . . . . 74 F HD . 15735 1 818 . 1 1 74 74 PHE HD2 H 1 6.974 0.008 . 3 . . . . 74 F HD . 15735 1 819 . 1 1 74 74 PHE HE1 H 1 7.010 0.001 . 3 . . . . 74 F HE . 15735 1 820 . 1 1 74 74 PHE HE2 H 1 7.010 0.001 . 3 . . . . 74 F HE . 15735 1 821 . 1 1 74 74 PHE CA C 13 54.539 0.052 . 1 . . . . 74 F CA . 15735 1 822 . 1 1 74 74 PHE CB C 13 40.862 0.041 . 1 . . . . 74 F CB . 15735 1 823 . 1 1 74 74 PHE N N 15 112.045 0.009 . 1 . . . . 74 F N . 15735 1 824 . 1 1 75 75 ASP H H 1 8.563 0.007 . 1 . . . . 75 D HN . 15735 1 825 . 1 1 75 75 ASP HA H 1 4.915 0.003 . 1 . . . . 75 D HA . 15735 1 826 . 1 1 75 75 ASP HB2 H 1 2.707 0.006 . 2 . . . . 75 D HB2 . 15735 1 827 . 1 1 75 75 ASP HB3 H 1 2.647 0.007 . 2 . . . . 75 D HB3 . 15735 1 828 . 1 1 75 75 ASP CA C 13 54.108 0.062 . 1 . . . . 75 D CA . 15735 1 829 . 1 1 75 75 ASP CB C 13 41.011 0.052 . 1 . . . . 75 D CB . 15735 1 830 . 1 1 75 75 ASP N N 15 118.284 0.029 . 1 . . . . 75 D N . 15735 1 831 . 1 1 76 76 GLY H H 1 8.340 0.007 . 1 . . . . 76 G HN . 15735 1 832 . 1 1 76 76 GLY HA2 H 1 4.228 0.003 . 2 . . . . 76 G HA1 . 15735 1 833 . 1 1 76 76 GLY HA3 H 1 4.070 0.004 . 2 . . . . 76 G HA2 . 15735 1 834 . 1 1 76 76 GLY CA C 13 46.761 0.042 . 1 . . . . 76 G CA . 15735 1 835 . 1 1 76 76 GLY N N 15 108.739 0.020 . 1 . . . . 76 G N . 15735 1 836 . 1 1 77 77 THR H H 1 8.607 0.008 . 1 . . . . 77 T HN . 15735 1 837 . 1 1 77 77 THR HA H 1 4.966 0.002 . 1 . . . . 77 T HA . 15735 1 838 . 1 1 77 77 THR HB H 1 3.799 0.009 . 1 . . . . 77 T HB . 15735 1 839 . 1 1 77 77 THR HG21 H 1 1.040 0.020 . 1 . . . . 77 T HG2 . 15735 1 840 . 1 1 77 77 THR HG22 H 1 1.040 0.020 . 1 . . . . 77 T HG2 . 15735 1 841 . 1 1 77 77 THR HG23 H 1 1.040 0.020 . 1 . . . . 77 T HG2 . 15735 1 842 . 1 1 77 77 THR CA C 13 61.891 0.061 . 1 . . . . 77 T CA . 15735 1 843 . 1 1 77 77 THR CB C 13 70.413 0.115 . 1 . . . . 77 T CB . 15735 1 844 . 1 1 77 77 THR CG2 C 13 21.789 0.200 . 1 . . . . 77 T CG2 . 15735 1 845 . 1 1 77 77 THR N N 15 116.423 0.031 . 1 . . . . 77 T N . 15735 1 846 . 1 1 78 78 ILE H H 1 8.815 0.005 . 1 . . . . 78 I HN . 15735 1 847 . 1 1 78 78 ILE HA H 1 4.656 0.020 . 1 . . . . 78 I HA . 15735 1 848 . 1 1 78 78 ILE HB H 1 1.186 0.004 . 1 . . . . 78 I HB . 15735 1 849 . 1 1 78 78 ILE HD11 H 1 -0.268 0.004 . 1 . . . . 78 I HD1 . 15735 1 850 . 1 1 78 78 ILE HD12 H 1 -0.268 0.004 . 1 . . . . 78 I HD1 . 15735 1 851 . 1 1 78 78 ILE HD13 H 1 -0.268 0.004 . 1 . . . . 78 I HD1 . 15735 1 852 . 1 1 78 78 ILE HG12 H 1 1.137 0.020 . 2 . . . . 78 I HG12 . 15735 1 853 . 1 1 78 78 ILE HG13 H 1 1.005 0.020 . 2 . . . . 78 I HG13 . 15735 1 854 . 1 1 78 78 ILE HG21 H 1 1.020 0.001 . 1 . . . . 78 I HG2 . 15735 1 855 . 1 1 78 78 ILE HG22 H 1 1.020 0.001 . 1 . . . . 78 I HG2 . 15735 1 856 . 1 1 78 78 ILE HG23 H 1 1.020 0.001 . 1 . . . . 78 I HG2 . 15735 1 857 . 1 1 78 78 ILE CA C 13 60.214 0.058 . 1 . . . . 78 I CA . 15735 1 858 . 1 1 78 78 ILE CB C 13 43.110 0.015 . 1 . . . . 78 I CB . 15735 1 859 . 1 1 78 78 ILE CD1 C 13 16.100 0.200 . 1 . . . . 78 I CD1 . 15735 1 860 . 1 1 78 78 ILE CG1 C 13 30.361 0.003 . 1 . . . . 78 I CG1 . 15735 1 861 . 1 1 78 78 ILE CG2 C 13 18.498 0.200 . 1 . . . . 78 I CG2 . 15735 1 862 . 1 1 78 78 ILE N N 15 129.313 0.027 . 1 . . . . 78 I N . 15735 1 863 . 1 1 79 79 GLY H H 1 8.052 0.006 . 1 . . . . 79 G HN . 15735 1 864 . 1 1 79 79 GLY HA2 H 1 4.394 0.003 . 2 . . . . 79 G HA1 . 15735 1 865 . 1 1 79 79 GLY HA3 H 1 3.765 0.003 . 2 . . . . 79 G HA2 . 15735 1 866 . 1 1 79 79 GLY CA C 13 44.297 0.025 . 1 . . . . 79 G CA . 15735 1 867 . 1 1 79 79 GLY N N 15 114.522 0.018 . 1 . . . . 79 G N . 15735 1 868 . 1 1 80 80 ASP H H 1 7.792 0.005 . 1 . . . . 80 D HN . 15735 1 869 . 1 1 80 80 ASP HA H 1 4.706 0.020 . 1 . . . . 80 D HA . 15735 1 870 . 1 1 80 80 ASP HB2 H 1 2.582 0.005 . 2 . . . . 80 D HB2 . 15735 1 871 . 1 1 80 80 ASP HB3 H 1 2.400 0.002 . 2 . . . . 80 D HB3 . 15735 1 872 . 1 1 80 80 ASP CA C 13 53.784 0.005 . 1 . . . . 80 D CA . 15735 1 873 . 1 1 80 80 ASP CB C 13 42.062 0.058 . 1 . . . . 80 D CB . 15735 1 874 . 1 1 80 80 ASP N N 15 113.706 0.030 . 1 . . . . 80 D N . 15735 1 875 . 1 1 81 81 ALA H H 1 8.552 0.006 . 1 . . . . 81 A HN . 15735 1 876 . 1 1 81 81 ALA HA H 1 4.567 0.006 . 1 . . . . 81 A HA . 15735 1 877 . 1 1 81 81 ALA HB1 H 1 1.754 0.004 . 1 . . . . 81 A HB . 15735 1 878 . 1 1 81 81 ALA HB2 H 1 1.754 0.004 . 1 . . . . 81 A HB . 15735 1 879 . 1 1 81 81 ALA HB3 H 1 1.754 0.004 . 1 . . . . 81 A HB . 15735 1 880 . 1 1 81 81 ALA CA C 13 53.345 0.135 . 1 . . . . 81 A CA . 15735 1 881 . 1 1 81 81 ALA CB C 13 20.325 0.011 . 1 . . . . 81 A CB . 15735 1 882 . 1 1 81 81 ALA N N 15 124.168 0.016 . 1 . . . . 81 A N . 15735 1 883 . 1 1 82 82 LEU H H 1 8.734 0.007 . 1 . . . . 82 L HN . 15735 1 884 . 1 1 82 82 LEU HA H 1 4.338 0.004 . 1 . . . . 82 L HA . 15735 1 885 . 1 1 82 82 LEU HB2 H 1 1.683 0.003 . 2 . . . . 82 L HB2 . 15735 1 886 . 1 1 82 82 LEU HB3 H 1 1.644 0.002 . 2 . . . . 82 L HB3 . 15735 1 887 . 1 1 82 82 LEU HD11 H 1 0.714 0.001 . 2 . . . . 82 L HD1 . 15735 1 888 . 1 1 82 82 LEU HD12 H 1 0.714 0.001 . 2 . . . . 82 L HD1 . 15735 1 889 . 1 1 82 82 LEU HD13 H 1 0.714 0.001 . 2 . . . . 82 L HD1 . 15735 1 890 . 1 1 82 82 LEU HD21 H 1 0.812 0.020 . 2 . . . . 82 L HD2 . 15735 1 891 . 1 1 82 82 LEU HD22 H 1 0.812 0.020 . 2 . . . . 82 L HD2 . 15735 1 892 . 1 1 82 82 LEU HD23 H 1 0.812 0.020 . 2 . . . . 82 L HD2 . 15735 1 893 . 1 1 82 82 LEU CA C 13 55.320 0.025 . 1 . . . . 82 L CA . 15735 1 894 . 1 1 82 82 LEU CB C 13 41.616 0.021 . 1 . . . . 82 L CB . 15735 1 895 . 1 1 82 82 LEU CD1 C 13 25.184 0.200 . 2 . . . . 82 L CD1 . 15735 1 896 . 1 1 82 82 LEU CD2 C 13 22.396 0.200 . 2 . . . . 82 L CD2 . 15735 1 897 . 1 1 82 82 LEU N N 15 121.830 0.037 . 1 . . . . 82 L N . 15735 1 898 . 1 1 83 83 VAL H H 1 7.136 0.007 . 1 . . . . 83 V HN . 15735 1 899 . 1 1 83 83 VAL HA H 1 4.489 0.008 . 1 . . . . 83 V HA . 15735 1 900 . 1 1 83 83 VAL HB H 1 2.129 0.007 . 1 . . . . 83 V HB . 15735 1 901 . 1 1 83 83 VAL HG11 H 1 0.827 0.007 . 2 . . . . 83 V HG1 . 15735 1 902 . 1 1 83 83 VAL HG12 H 1 0.827 0.007 . 2 . . . . 83 V HG1 . 15735 1 903 . 1 1 83 83 VAL HG13 H 1 0.827 0.007 . 2 . . . . 83 V HG1 . 15735 1 904 . 1 1 83 83 VAL HG21 H 1 0.519 0.003 . 2 . . . . 83 V HG2 . 15735 1 905 . 1 1 83 83 VAL HG22 H 1 0.519 0.003 . 2 . . . . 83 V HG2 . 15735 1 906 . 1 1 83 83 VAL HG23 H 1 0.519 0.003 . 2 . . . . 83 V HG2 . 15735 1 907 . 1 1 83 83 VAL CA C 13 58.552 0.037 . 1 . . . . 83 V CA . 15735 1 908 . 1 1 83 83 VAL CB C 13 35.418 0.014 . 1 . . . . 83 V CB . 15735 1 909 . 1 1 83 83 VAL CG1 C 13 22.115 0.012 . 2 . . . . 83 V CG1 . 15735 1 910 . 1 1 83 83 VAL CG2 C 13 18.913 0.015 . 2 . . . . 83 V CG2 . 15735 1 911 . 1 1 83 83 VAL N N 15 108.193 0.016 . 1 . . . . 83 V N . 15735 1 912 . 1 1 84 84 ASN H H 1 9.073 0.003 . 1 . . . . 84 N HN . 15735 1 913 . 1 1 84 84 ASN HA H 1 4.872 0.008 . 1 . . . . 84 N HA . 15735 1 914 . 1 1 84 84 ASN HB2 H 1 2.654 0.003 . 2 . . . . 84 N HB2 . 15735 1 915 . 1 1 84 84 ASN HB3 H 1 2.530 0.006 . 2 . . . . 84 N HB3 . 15735 1 916 . 1 1 84 84 ASN HD21 H 1 7.949 0.002 . 2 . . . . 84 N HD21 . 15735 1 917 . 1 1 84 84 ASN HD22 H 1 6.896 0.002 . 2 . . . . 84 N HD22 . 15735 1 918 . 1 1 84 84 ASN CA C 13 51.417 0.039 . 1 . . . . 84 N CA . 15735 1 919 . 1 1 84 84 ASN CB C 13 42.127 0.113 . 1 . . . . 84 N CB . 15735 1 920 . 1 1 84 84 ASN N N 15 119.533 0.024 . 1 . . . . 84 N N . 15735 1 921 . 1 1 84 84 ASN ND2 N 15 115.503 0.021 . 1 . . . . 84 N ND2 . 15735 1 922 . 1 1 85 85 ILE H H 1 8.390 0.007 . 1 . . . . 85 I HN . 15735 1 923 . 1 1 85 85 ILE HA H 1 3.384 0.002 . 1 . . . . 85 I HA . 15735 1 924 . 1 1 85 85 ILE HB H 1 1.655 0.004 . 1 . . . . 85 I HB . 15735 1 925 . 1 1 85 85 ILE HD11 H 1 0.891 0.020 . 1 . . . . 85 I HD1 . 15735 1 926 . 1 1 85 85 ILE HD12 H 1 0.891 0.020 . 1 . . . . 85 I HD1 . 15735 1 927 . 1 1 85 85 ILE HD13 H 1 0.891 0.020 . 1 . . . . 85 I HD1 . 15735 1 928 . 1 1 85 85 ILE HG12 H 1 1.570 0.020 . 2 . . . . 85 I HG12 . 15735 1 929 . 1 1 85 85 ILE HG13 H 1 0.868 0.020 . 2 . . . . 85 I HG13 . 15735 1 930 . 1 1 85 85 ILE HG21 H 1 0.804 0.020 . 1 . . . . 85 I HG2 . 15735 1 931 . 1 1 85 85 ILE HG22 H 1 0.804 0.020 . 1 . . . . 85 I HG2 . 15735 1 932 . 1 1 85 85 ILE HG23 H 1 0.804 0.020 . 1 . . . . 85 I HG2 . 15735 1 933 . 1 1 85 85 ILE CA C 13 63.985 0.048 . 1 . . . . 85 I CA . 15735 1 934 . 1 1 85 85 ILE CB C 13 37.368 0.065 . 1 . . . . 85 I CB . 15735 1 935 . 1 1 85 85 ILE CD1 C 13 13.061 0.200 . 1 . . . . 85 I CD1 . 15735 1 936 . 1 1 85 85 ILE CG1 C 13 28.856 0.014 . 1 . . . . 85 I CG1 . 15735 1 937 . 1 1 85 85 ILE CG2 C 13 17.400 0.200 . 1 . . . . 85 I CG2 . 15735 1 938 . 1 1 85 85 ILE N N 15 119.414 0.022 . 1 . . . . 85 I N . 15735 1 939 . 1 1 86 86 GLY H H 1 9.229 0.005 . 1 . . . . 86 G HN . 15735 1 940 . 1 1 86 86 GLY HA2 H 1 4.392 0.006 . 2 . . . . 86 G HA1 . 15735 1 941 . 1 1 86 86 GLY HA3 H 1 3.412 0.010 . 2 . . . . 86 G HA2 . 15735 1 942 . 1 1 86 86 GLY CA C 13 44.946 0.052 . 1 . . . . 86 G CA . 15735 1 943 . 1 1 86 86 GLY N N 15 117.337 0.021 . 1 . . . . 86 G N . 15735 1 944 . 1 1 87 87 ASP H H 1 7.956 0.010 . 1 . . . . 87 D HN . 15735 1 945 . 1 1 87 87 ASP HA H 1 4.599 0.020 . 1 . . . . 87 D HA . 15735 1 946 . 1 1 87 87 ASP HB2 H 1 2.791 0.002 . 2 . . . . 87 D HB2 . 15735 1 947 . 1 1 87 87 ASP HB3 H 1 2.466 0.003 . 2 . . . . 87 D HB3 . 15735 1 948 . 1 1 87 87 ASP CA C 13 55.055 0.046 . 1 . . . . 87 D CA . 15735 1 949 . 1 1 87 87 ASP CB C 13 40.978 0.109 . 1 . . . . 87 D CB . 15735 1 950 . 1 1 87 87 ASP N N 15 121.511 0.031 . 1 . . . . 87 D N . 15735 1 951 . 1 1 88 88 TYR H H 1 8.545 0.011 . 1 . . . . 88 Y HN . 15735 1 952 . 1 1 88 88 TYR HA H 1 4.718 0.004 . 1 . . . . 88 Y HA . 15735 1 953 . 1 1 88 88 TYR HB2 H 1 2.836 0.004 . 2 . . . . 88 Y HB . 15735 1 954 . 1 1 88 88 TYR HB3 H 1 2.836 0.004 . 2 . . . . 88 Y HB . 15735 1 955 . 1 1 88 88 TYR HD1 H 1 6.819 0.007 . 3 . . . . 88 Y HD . 15735 1 956 . 1 1 88 88 TYR HD2 H 1 6.819 0.007 . 3 . . . . 88 Y HD . 15735 1 957 . 1 1 88 88 TYR HE1 H 1 6.706 0.003 . 3 . . . . 88 Y HE . 15735 1 958 . 1 1 88 88 TYR HE2 H 1 6.706 0.003 . 3 . . . . 88 Y HE . 15735 1 959 . 1 1 88 88 TYR CA C 13 57.954 0.054 . 1 . . . . 88 Y CA . 15735 1 960 . 1 1 88 88 TYR CB C 13 39.411 0.046 . 1 . . . . 88 Y CB . 15735 1 961 . 1 1 88 88 TYR N N 15 122.327 0.027 . 1 . . . . 88 Y N . 15735 1 962 . 1 1 89 89 VAL H H 1 8.937 0.004 . 1 . . . . 89 V HN . 15735 1 963 . 1 1 89 89 VAL HA H 1 4.565 0.006 . 1 . . . . 89 V HA . 15735 1 964 . 1 1 89 89 VAL HB H 1 1.711 0.002 . 1 . . . . 89 V HB . 15735 1 965 . 1 1 89 89 VAL HG11 H 1 0.665 0.001 . 2 . . . . 89 V HG1 . 15735 1 966 . 1 1 89 89 VAL HG12 H 1 0.665 0.001 . 2 . . . . 89 V HG1 . 15735 1 967 . 1 1 89 89 VAL HG13 H 1 0.665 0.001 . 2 . . . . 89 V HG1 . 15735 1 968 . 1 1 89 89 VAL HG21 H 1 0.529 0.003 . 2 . . . . 89 V HG2 . 15735 1 969 . 1 1 89 89 VAL HG22 H 1 0.529 0.003 . 2 . . . . 89 V HG2 . 15735 1 970 . 1 1 89 89 VAL HG23 H 1 0.529 0.003 . 2 . . . . 89 V HG2 . 15735 1 971 . 1 1 89 89 VAL CA C 13 58.580 0.060 . 1 . . . . 89 V CA . 15735 1 972 . 1 1 89 89 VAL CB C 13 34.504 0.030 . 1 . . . . 89 V CB . 15735 1 973 . 1 1 89 89 VAL CG1 C 13 22.475 0.010 . 2 . . . . 89 V CG1 . 15735 1 974 . 1 1 89 89 VAL CG2 C 13 18.654 0.067 . 2 . . . . 89 V CG2 . 15735 1 975 . 1 1 89 89 VAL N N 15 121.838 0.030 . 1 . . . . 89 V N . 15735 1 976 . 1 1 90 90 SER H H 1 8.761 0.008 . 1 . . . . 90 S HN . 15735 1 977 . 1 1 90 90 SER HA H 1 4.562 0.002 . 1 . . . . 90 S HA . 15735 1 978 . 1 1 90 90 SER HB2 H 1 3.688 0.005 . 2 . . . . 90 S HB2 . 15735 1 979 . 1 1 90 90 SER HB3 H 1 3.531 0.012 . 2 . . . . 90 S HB3 . 15735 1 980 . 1 1 90 90 SER CA C 13 56.974 0.022 . 1 . . . . 90 S CA . 15735 1 981 . 1 1 90 90 SER CB C 13 65.027 0.074 . 1 . . . . 90 S CB . 15735 1 982 . 1 1 90 90 SER N N 15 114.806 0.021 . 1 . . . . 90 S N . 15735 1 983 . 1 1 91 91 ALA H H 1 8.692 0.005 . 1 . . . . 91 A HN . 15735 1 984 . 1 1 91 91 ALA HA H 1 3.505 0.001 . 1 . . . . 91 A HA . 15735 1 985 . 1 1 91 91 ALA HB1 H 1 1.061 0.002 . 1 . . . . 91 A HB . 15735 1 986 . 1 1 91 91 ALA HB2 H 1 1.061 0.002 . 1 . . . . 91 A HB . 15735 1 987 . 1 1 91 91 ALA HB3 H 1 1.061 0.002 . 1 . . . . 91 A HB . 15735 1 988 . 1 1 91 91 ALA CA C 13 53.471 0.031 . 1 . . . . 91 A CA . 15735 1 989 . 1 1 91 91 ALA CB C 13 18.719 0.009 . 1 . . . . 91 A CB . 15735 1 990 . 1 1 91 91 ALA N N 15 129.873 0.031 . 1 . . . . 91 A N . 15735 1 991 . 1 1 92 92 SER H H 1 9.156 0.005 . 1 . . . . 92 S HN . 15735 1 992 . 1 1 92 92 SER HA H 1 3.804 0.005 . 1 . . . . 92 S HA . 15735 1 993 . 1 1 92 92 SER HB2 H 1 3.989 0.006 . 2 . . . . 92 S HB2 . 15735 1 994 . 1 1 92 92 SER HB3 H 1 3.982 0.003 . 2 . . . . 92 S HB3 . 15735 1 995 . 1 1 92 92 SER CA C 13 60.827 0.067 . 1 . . . . 92 S CA . 15735 1 996 . 1 1 92 92 SER CB C 13 62.630 0.048 . 1 . . . . 92 S CB . 15735 1 997 . 1 1 92 92 SER N N 15 113.297 0.025 . 1 . . . . 92 S N . 15735 1 998 . 1 1 93 93 THR H H 1 7.806 0.003 . 1 . . . . 93 T HN . 15735 1 999 . 1 1 93 93 THR HA H 1 4.387 0.004 . 1 . . . . 93 T HA . 15735 1 1000 . 1 1 93 93 THR HB H 1 3.732 0.002 . 1 . . . . 93 T HB . 15735 1 1001 . 1 1 93 93 THR HG21 H 1 1.095 0.020 . 1 . . . . 93 T HG2 . 15735 1 1002 . 1 1 93 93 THR HG22 H 1 1.095 0.020 . 1 . . . . 93 T HG2 . 15735 1 1003 . 1 1 93 93 THR HG23 H 1 1.095 0.020 . 1 . . . . 93 T HG2 . 15735 1 1004 . 1 1 93 93 THR CA C 13 64.607 0.213 . 1 . . . . 93 T CA . 15735 1 1005 . 1 1 93 93 THR CB C 13 71.127 0.039 . 1 . . . . 93 T CB . 15735 1 1006 . 1 1 93 93 THR CG2 C 13 20.697 0.200 . 1 . . . . 93 T CG2 . 15735 1 1007 . 1 1 93 93 THR N N 15 113.896 0.038 . 1 . . . . 93 T N . 15735 1 1008 . 1 1 94 94 THR H H 1 7.691 0.003 . 1 . . . . 94 T HN . 15735 1 1009 . 1 1 94 94 THR HA H 1 3.899 0.001 . 1 . . . . 94 T HA . 15735 1 1010 . 1 1 94 94 THR HB H 1 3.498 0.004 . 1 . . . . 94 T HB . 15735 1 1011 . 1 1 94 94 THR HG21 H 1 1.112 0.020 . 1 . . . . 94 T HG2 . 15735 1 1012 . 1 1 94 94 THR HG22 H 1 1.112 0.020 . 1 . . . . 94 T HG2 . 15735 1 1013 . 1 1 94 94 THR HG23 H 1 1.112 0.020 . 1 . . . . 94 T HG2 . 15735 1 1014 . 1 1 94 94 THR CA C 13 65.258 0.048 . 1 . . . . 94 T CA . 15735 1 1015 . 1 1 94 94 THR CB C 13 70.283 0.054 . 1 . . . . 94 T CB . 15735 1 1016 . 1 1 94 94 THR CG2 C 13 22.840 0.200 . 1 . . . . 94 T CG2 . 15735 1 1017 . 1 1 94 94 THR N N 15 119.603 0.021 . 1 . . . . 94 T N . 15735 1 1018 . 1 1 95 95 GLU H H 1 8.389 0.006 . 1 . . . . 95 E HN . 15735 1 1019 . 1 1 95 95 GLU HA H 1 3.793 0.002 . 1 . . . . 95 E HA . 15735 1 1020 . 1 1 95 95 GLU HB2 H 1 1.896 0.018 . 2 . . . . 95 E HB2 . 15735 1 1021 . 1 1 95 95 GLU HB3 H 1 1.569 0.007 . 2 . . . . 95 E HB3 . 15735 1 1022 . 1 1 95 95 GLU HG2 H 1 2.429 0.020 . 2 . . . . 95 E HG2 . 15735 1 1023 . 1 1 95 95 GLU HG3 H 1 1.837 0.002 . 2 . . . . 95 E HG3 . 15735 1 1024 . 1 1 95 95 GLU CA C 13 56.783 0.041 . 1 . . . . 95 E CA . 15735 1 1025 . 1 1 95 95 GLU CB C 13 29.777 0.075 . 1 . . . . 95 E CB . 15735 1 1026 . 1 1 95 95 GLU CG C 13 37.251 0.008 . 1 . . . . 95 E CG . 15735 1 1027 . 1 1 95 95 GLU N N 15 124.816 0.039 . 1 . . . . 95 E N . 15735 1 1028 . 1 1 96 96 LEU H H 1 8.735 0.005 . 1 . . . . 96 L HN . 15735 1 1029 . 1 1 96 96 LEU HA H 1 4.249 0.004 . 1 . . . . 96 L HA . 15735 1 1030 . 1 1 96 96 LEU HB2 H 1 1.544 0.006 . 2 . . . . 96 L HB2 . 15735 1 1031 . 1 1 96 96 LEU HB3 H 1 1.076 0.008 . 2 . . . . 96 L HB3 . 15735 1 1032 . 1 1 96 96 LEU HD11 H 1 0.249 0.002 . 2 . . . . 96 L HD1 . 15735 1 1033 . 1 1 96 96 LEU HD12 H 1 0.249 0.002 . 2 . . . . 96 L HD1 . 15735 1 1034 . 1 1 96 96 LEU HD13 H 1 0.249 0.002 . 2 . . . . 96 L HD1 . 15735 1 1035 . 1 1 96 96 LEU HD21 H 1 0.236 0.003 . 2 . . . . 96 L HD2 . 15735 1 1036 . 1 1 96 96 LEU HD22 H 1 0.236 0.003 . 2 . . . . 96 L HD2 . 15735 1 1037 . 1 1 96 96 LEU HD23 H 1 0.236 0.003 . 2 . . . . 96 L HD2 . 15735 1 1038 . 1 1 96 96 LEU HG H 1 1.647 0.020 . 1 . . . . 96 L HG . 15735 1 1039 . 1 1 96 96 LEU CA C 13 57.071 0.071 . 1 . . . . 96 L CA . 15735 1 1040 . 1 1 96 96 LEU CB C 13 43.517 0.111 . 1 . . . . 96 L CB . 15735 1 1041 . 1 1 96 96 LEU CD1 C 13 26.387 0.200 . 2 . . . . 96 L CD1 . 15735 1 1042 . 1 1 96 96 LEU CD2 C 13 23.822 0.007 . 2 . . . . 96 L CD2 . 15735 1 1043 . 1 1 96 96 LEU CG C 13 26.405 0.200 . 1 . . . . 96 L CG . 15735 1 1044 . 1 1 96 96 LEU N N 15 120.104 0.029 . 1 . . . . 96 L N . 15735 1 1045 . 1 1 97 97 VAL H H 1 7.049 0.006 . 1 . . . . 97 V HN . 15735 1 1046 . 1 1 97 97 VAL HA H 1 4.334 0.003 . 1 . . . . 97 V HA . 15735 1 1047 . 1 1 97 97 VAL HB H 1 2.782 0.005 . 1 . . . . 97 V HB . 15735 1 1048 . 1 1 97 97 VAL HG11 H 1 0.917 0.001 . 2 . . . . 97 V HG1 . 15735 1 1049 . 1 1 97 97 VAL HG12 H 1 0.917 0.001 . 2 . . . . 97 V HG1 . 15735 1 1050 . 1 1 97 97 VAL HG13 H 1 0.917 0.001 . 2 . . . . 97 V HG1 . 15735 1 1051 . 1 1 97 97 VAL HG21 H 1 0.571 0.002 . 2 . . . . 97 V HG2 . 15735 1 1052 . 1 1 97 97 VAL HG22 H 1 0.571 0.002 . 2 . . . . 97 V HG2 . 15735 1 1053 . 1 1 97 97 VAL HG23 H 1 0.571 0.002 . 2 . . . . 97 V HG2 . 15735 1 1054 . 1 1 97 97 VAL CA C 13 61.411 0.062 . 1 . . . . 97 V CA . 15735 1 1055 . 1 1 97 97 VAL CB C 13 31.724 0.014 . 1 . . . . 97 V CB . 15735 1 1056 . 1 1 97 97 VAL CG1 C 13 22.470 0.200 . 2 . . . . 97 V CG1 . 15735 1 1057 . 1 1 97 97 VAL CG2 C 13 19.801 0.200 . 2 . . . . 97 V CG2 . 15735 1 1058 . 1 1 97 97 VAL N N 15 112.399 0.022 . 1 . . . . 97 V N . 15735 1 1059 . 1 1 98 98 ARG H H 1 8.968 0.006 . 1 . . . . 98 R HN . 15735 1 1060 . 1 1 98 98 ARG HA H 1 5.255 0.009 . 1 . . . . 98 R HA . 15735 1 1061 . 1 1 98 98 ARG HB2 H 1 1.688 0.009 . 2 . . . . 98 R HB2 . 15735 1 1062 . 1 1 98 98 ARG HB3 H 1 1.601 0.006 . 2 . . . . 98 R HB3 . 15735 1 1063 . 1 1 98 98 ARG HD2 H 1 3.117 0.020 . 2 . . . . 98 R HD2 . 15735 1 1064 . 1 1 98 98 ARG HD3 H 1 3.066 0.020 . 2 . . . . 98 R HD3 . 15735 1 1065 . 1 1 98 98 ARG HG2 H 1 1.458 0.001 . 2 . . . . 98 R HG2 . 15735 1 1066 . 1 1 98 98 ARG HG3 H 1 1.304 0.002 . 2 . . . . 98 R HG3 . 15735 1 1067 . 1 1 98 98 ARG CA C 13 55.391 0.055 . 1 . . . . 98 R CA . 15735 1 1068 . 1 1 98 98 ARG CB C 13 32.925 0.042 . 1 . . . . 98 R CB . 15735 1 1069 . 1 1 98 98 ARG CD C 13 43.594 0.077 . 1 . . . . 98 R CD . 15735 1 1070 . 1 1 98 98 ARG CG C 13 28.388 0.023 . 1 . . . . 98 R CG . 15735 1 1071 . 1 1 98 98 ARG N N 15 127.489 0.024 . 1 . . . . 98 R N . 15735 1 1072 . 1 1 99 99 VAL H H 1 8.884 0.010 . 1 . . . . 99 V HN . 15735 1 1073 . 1 1 99 99 VAL HA H 1 4.554 0.007 . 1 . . . . 99 V HA . 15735 1 1074 . 1 1 99 99 VAL HB H 1 1.633 0.002 . 1 . . . . 99 V HB . 15735 1 1075 . 1 1 99 99 VAL HG11 H 1 0.536 0.006 . 2 . . . . 99 V HG1 . 15735 1 1076 . 1 1 99 99 VAL HG12 H 1 0.536 0.006 . 2 . . . . 99 V HG1 . 15735 1 1077 . 1 1 99 99 VAL HG13 H 1 0.536 0.006 . 2 . . . . 99 V HG1 . 15735 1 1078 . 1 1 99 99 VAL CA C 13 60.996 0.079 . 1 . . . . 99 V CA . 15735 1 1079 . 1 1 99 99 VAL CB C 13 34.358 0.079 . 1 . . . . 99 V CB . 15735 1 1080 . 1 1 99 99 VAL CG1 C 13 21.533 0.098 . 2 . . . . 99 V CG1 . 15735 1 1081 . 1 1 99 99 VAL N N 15 122.863 0.020 . 1 . . . . 99 V N . 15735 1 1082 . 1 1 100 100 THR H H 1 8.823 0.005 . 1 . . . . 100 T HN . 15735 1 1083 . 1 1 100 100 THR HA H 1 4.552 0.003 . 1 . . . . 100 T HA . 15735 1 1084 . 1 1 100 100 THR HB H 1 3.989 0.004 . 1 . . . . 100 T HB . 15735 1 1085 . 1 1 100 100 THR HG21 H 1 1.180 0.001 . 1 . . . . 100 T HG2 . 15735 1 1086 . 1 1 100 100 THR HG22 H 1 1.180 0.001 . 1 . . . . 100 T HG2 . 15735 1 1087 . 1 1 100 100 THR HG23 H 1 1.180 0.001 . 1 . . . . 100 T HG2 . 15735 1 1088 . 1 1 100 100 THR CA C 13 61.105 0.094 . 1 . . . . 100 T CA . 15735 1 1089 . 1 1 100 100 THR CB C 13 70.859 0.061 . 1 . . . . 100 T CB . 15735 1 1090 . 1 1 100 100 THR CG2 C 13 21.285 0.017 . 1 . . . . 100 T CG2 . 15735 1 1091 . 1 1 100 100 THR N N 15 121.813 0.012 . 1 . . . . 100 T N . 15735 1 1092 . 1 1 101 101 ASN H H 1 8.146 0.005 . 1 . . . . 101 N HN . 15735 1 1093 . 1 1 101 101 ASN HA H 1 4.505 0.006 . 1 . . . . 101 N HA . 15735 1 1094 . 1 1 101 101 ASN HB2 H 1 2.409 0.009 . 2 . . . . 101 N HB2 . 15735 1 1095 . 1 1 101 101 ASN HB3 H 1 2.396 0.008 . 2 . . . . 101 N HB3 . 15735 1 1096 . 1 1 101 101 ASN HD21 H 1 7.085 0.002 . 2 . . . . 101 N HD21 . 15735 1 1097 . 1 1 101 101 ASN HD22 H 1 6.319 0.002 . 2 . . . . 101 N HD22 . 15735 1 1098 . 1 1 101 101 ASN CA C 13 54.283 0.063 . 1 . . . . 101 N CA . 15735 1 1099 . 1 1 101 101 ASN CB C 13 38.631 0.021 . 1 . . . . 101 N CB . 15735 1 1100 . 1 1 101 101 ASN N N 15 122.582 0.011 . 1 . . . . 101 N N . 15735 1 1101 . 1 1 101 101 ASN ND2 N 15 111.990 0.019 . 1 . . . . 101 N ND2 . 15735 1 1102 . 1 1 102 102 LEU H H 1 8.154 0.006 . 1 . . . . 102 L HN . 15735 1 1103 . 1 1 102 102 LEU HA H 1 4.236 0.020 . 1 . . . . 102 L HA . 15735 1 1104 . 1 1 102 102 LEU HB2 H 1 1.458 0.020 . 2 . . . . 102 L HB . 15735 1 1105 . 1 1 102 102 LEU HB3 H 1 1.458 0.020 . 2 . . . . 102 L HB . 15735 1 1106 . 1 1 102 102 LEU HD11 H 1 0.783 0.020 . 2 . . . . 102 L HD1 . 15735 1 1107 . 1 1 102 102 LEU HD12 H 1 0.783 0.020 . 2 . . . . 102 L HD1 . 15735 1 1108 . 1 1 102 102 LEU HD13 H 1 0.783 0.020 . 2 . . . . 102 L HD1 . 15735 1 1109 . 1 1 102 102 LEU HD21 H 1 0.741 0.020 . 2 . . . . 102 L HD2 . 15735 1 1110 . 1 1 102 102 LEU HD22 H 1 0.741 0.020 . 2 . . . . 102 L HD2 . 15735 1 1111 . 1 1 102 102 LEU HD23 H 1 0.741 0.020 . 2 . . . . 102 L HD2 . 15735 1 1112 . 1 1 102 102 LEU HG H 1 1.497 0.020 . 1 . . . . 102 L HG . 15735 1 1113 . 1 1 102 102 LEU CA C 13 55.618 0.018 . 1 . . . . 102 L CA . 15735 1 1114 . 1 1 102 102 LEU CB C 13 42.842 0.200 . 1 . . . . 102 L CB . 15735 1 1115 . 1 1 102 102 LEU CD1 C 13 25.269 0.200 . 2 . . . . 102 L CD1 . 15735 1 1116 . 1 1 102 102 LEU CD2 C 13 23.867 0.200 . 2 . . . . 102 L CD2 . 15735 1 1117 . 1 1 102 102 LEU CG C 13 27.162 0.200 . 1 . . . . 102 L CG . 15735 1 1118 . 1 1 102 102 LEU N N 15 122.572 0.009 . 1 . . . . 102 L N . 15735 1 1119 . 1 1 103 103 ASN H H 1 8.393 0.010 . 1 . . . . 103 N HN . 15735 1 1120 . 1 1 103 103 ASN HA H 1 4.862 0.004 . 1 . . . . 103 N HA . 15735 1 1121 . 1 1 103 103 ASN HB2 H 1 2.722 0.003 . 2 . . . . 103 N HB2 . 15735 1 1122 . 1 1 103 103 ASN HB3 H 1 2.571 0.001 . 2 . . . . 103 N HB3 . 15735 1 1123 . 1 1 103 103 ASN HD21 H 1 7.561 0.001 . 2 . . . . 103 N HD21 . 15735 1 1124 . 1 1 103 103 ASN HD22 H 1 6.856 0.002 . 2 . . . . 103 N HD22 . 15735 1 1125 . 1 1 103 103 ASN CA C 13 51.431 0.035 . 1 . . . . 103 N CA . 15735 1 1126 . 1 1 103 103 ASN CB C 13 39.172 0.020 . 1 . . . . 103 N CB . 15735 1 1127 . 1 1 103 103 ASN N N 15 120.155 0.013 . 1 . . . . 103 N N . 15735 1 1128 . 1 1 103 103 ASN ND2 N 15 113.037 0.039 . 1 . . . . 103 N ND2 . 15735 1 1129 . 1 1 104 104 PRO HA H 1 4.224 0.004 . 1 . . . . 104 P HA . 15735 1 1130 . 1 1 104 104 PRO HB2 H 1 2.070 0.002 . 2 . . . . 104 P HB2 . 15735 1 1131 . 1 1 104 104 PRO HB3 H 1 1.647 0.020 . 2 . . . . 104 P HB3 . 15735 1 1132 . 1 1 104 104 PRO HD2 H 1 3.682 0.001 . 2 . . . . 104 P HD2 . 15735 1 1133 . 1 1 104 104 PRO HD3 H 1 3.594 0.003 . 2 . . . . 104 P HD3 . 15735 1 1134 . 1 1 104 104 PRO HG2 H 1 1.875 0.001 . 2 . . . . 104 P HG2 . 15735 1 1135 . 1 1 104 104 PRO HG3 H 1 1.875 0.001 . 2 . . . . 104 P HG3 . 15735 1 1136 . 1 1 104 104 PRO CA C 13 63.636 0.044 . 1 . . . . 104 P CA . 15735 1 1137 . 1 1 104 104 PRO CB C 13 32.301 0.044 . 1 . . . . 104 P CB . 15735 1 1138 . 1 1 104 104 PRO CD C 13 50.921 0.040 . 1 . . . . 104 P CD . 15735 1 1139 . 1 1 104 104 PRO CG C 13 27.417 0.001 . 1 . . . . 104 P CG . 15735 1 1140 . 1 1 105 105 ILE H H 1 7.870 0.005 . 1 . . . . 105 I HN . 15735 1 1141 . 1 1 105 105 ILE HA H 1 3.934 0.002 . 1 . . . . 105 I HA . 15735 1 1142 . 1 1 105 105 ILE HB H 1 1.597 0.001 . 1 . . . . 105 I HB . 15735 1 1143 . 1 1 105 105 ILE HD11 H 1 0.667 0.001 . 1 . . . . 105 I HD1 . 15735 1 1144 . 1 1 105 105 ILE HD12 H 1 0.667 0.001 . 1 . . . . 105 I HD1 . 15735 1 1145 . 1 1 105 105 ILE HD13 H 1 0.667 0.001 . 1 . . . . 105 I HD1 . 15735 1 1146 . 1 1 105 105 ILE HG12 H 1 1.167 0.020 . 2 . . . . 105 I HG12 . 15735 1 1147 . 1 1 105 105 ILE HG13 H 1 0.940 0.001 . 2 . . . . 105 I HG13 . 15735 1 1148 . 1 1 105 105 ILE HG21 H 1 0.627 0.001 . 1 . . . . 105 I HG2 . 15735 1 1149 . 1 1 105 105 ILE HG22 H 1 0.627 0.001 . 1 . . . . 105 I HG2 . 15735 1 1150 . 1 1 105 105 ILE HG23 H 1 0.627 0.001 . 1 . . . . 105 I HG2 . 15735 1 1151 . 1 1 105 105 ILE CA C 13 61.566 0.039 . 1 . . . . 105 I CA . 15735 1 1152 . 1 1 105 105 ILE CB C 13 38.723 0.023 . 1 . . . . 105 I CB . 15735 1 1153 . 1 1 105 105 ILE CD1 C 13 13.079 0.010 . 1 . . . . 105 I CD1 . 15735 1 1154 . 1 1 105 105 ILE CG1 C 13 27.319 0.023 . 1 . . . . 105 I CG1 . 15735 1 1155 . 1 1 105 105 ILE CG2 C 13 17.472 0.006 . 1 . . . . 105 I CG2 . 15735 1 1156 . 1 1 105 105 ILE N N 15 119.425 0.033 . 1 . . . . 105 I N . 15735 1 1157 . 1 1 106 106 TYR H H 1 7.945 0.008 . 1 . . . . 106 Y HN . 15735 1 1158 . 1 1 106 106 TYR HA H 1 4.529 0.010 . 1 . . . . 106 Y HA . 15735 1 1159 . 1 1 106 106 TYR HB2 H 1 2.976 0.010 . 2 . . . . 106 Y HB2 . 15735 1 1160 . 1 1 106 106 TYR HB3 H 1 2.741 0.009 . 2 . . . . 106 Y HB3 . 15735 1 1161 . 1 1 106 106 TYR HD1 H 1 6.973 0.002 . 3 . . . . 106 Y HD . 15735 1 1162 . 1 1 106 106 TYR HD2 H 1 6.973 0.002 . 3 . . . . 106 Y HD . 15735 1 1163 . 1 1 106 106 TYR HE1 H 1 6.680 0.001 . 3 . . . . 106 Y HE . 15735 1 1164 . 1 1 106 106 TYR HE2 H 1 6.680 0.001 . 3 . . . . 106 Y HE . 15735 1 1165 . 1 1 106 106 TYR CA C 13 57.548 0.072 . 1 . . . . 106 Y CA . 15735 1 1166 . 1 1 106 106 TYR CB C 13 39.048 0.121 . 1 . . . . 106 Y CB . 15735 1 1167 . 1 1 106 106 TYR N N 15 123.138 0.012 . 1 . . . . 106 Y N . 15735 1 1168 . 1 1 107 107 ALA H H 1 8.113 0.007 . 1 . . . . 107 A HN . 15735 1 1169 . 1 1 107 107 ALA HA H 1 4.213 0.020 . 1 . . . . 107 A HA . 15735 1 1170 . 1 1 107 107 ALA HB1 H 1 1.273 0.003 . 1 . . . . 107 A HB . 15735 1 1171 . 1 1 107 107 ALA HB2 H 1 1.273 0.003 . 1 . . . . 107 A HB . 15735 1 1172 . 1 1 107 107 ALA HB3 H 1 1.273 0.003 . 1 . . . . 107 A HB . 15735 1 1173 . 1 1 107 107 ALA CA C 13 52.847 0.055 . 1 . . . . 107 A CA . 15735 1 1174 . 1 1 107 107 ALA CB C 13 19.450 0.129 . 1 . . . . 107 A CB . 15735 1 1175 . 1 1 107 107 ALA N N 15 125.476 0.106 . 1 . . . . 107 A N . 15735 1 1176 . 1 1 108 108 ASP H H 1 8.140 0.007 . 1 . . . . 108 D HN . 15735 1 1177 . 1 1 108 108 ASP HA H 1 4.502 0.011 . 1 . . . . 108 D HA . 15735 1 1178 . 1 1 108 108 ASP HB2 H 1 2.631 0.006 . 2 . . . . 108 D HB2 . 15735 1 1179 . 1 1 108 108 ASP HB3 H 1 2.548 0.003 . 2 . . . . 108 D HB3 . 15735 1 1180 . 1 1 108 108 ASP CA C 13 54.515 0.096 . 1 . . . . 108 D CA . 15735 1 1181 . 1 1 108 108 ASP CB C 13 41.436 0.046 . 1 . . . . 108 D CB . 15735 1 1182 . 1 1 108 108 ASP N N 15 119.275 0.055 . 1 . . . . 108 D N . 15735 1 1183 . 1 1 109 109 GLY H H 1 8.304 0.006 . 1 . . . . 109 G HN . 15735 1 1184 . 1 1 109 109 GLY HA2 H 1 3.930 0.020 . 2 . . . . 109 G HA1 . 15735 1 1185 . 1 1 109 109 GLY HA3 H 1 3.844 0.020 . 2 . . . . 109 G HA2 . 15735 1 1186 . 1 1 109 109 GLY CA C 13 45.809 0.040 . 1 . . . . 109 G CA . 15735 1 1187 . 1 1 109 109 GLY N N 15 109.463 0.013 . 1 . . . . 109 G N . 15735 1 1188 . 1 1 110 110 SER H H 1 8.169 0.011 . 1 . . . . 110 S HN . 15735 1 1189 . 1 1 110 110 SER HA H 1 4.263 0.020 . 1 . . . . 110 S HA . 15735 1 1190 . 1 1 110 110 SER CA C 13 59.017 0.005 . 1 . . . . 110 S CA . 15735 1 1191 . 1 1 110 110 SER N N 15 115.630 0.007 . 1 . . . . 110 S N . 15735 1 1192 . 1 1 111 111 HIS HA H 1 4.522 0.002 . 1 . . . . 111 H HA . 15735 1 1193 . 1 1 111 111 HIS HB2 H 1 3.048 0.004 . 2 . . . . 111 H HB2 . 15735 1 1194 . 1 1 111 111 HIS HB3 H 1 2.974 0.002 . 2 . . . . 111 H HB3 . 15735 1 1195 . 1 1 111 111 HIS CA C 13 56.269 0.089 . 1 . . . . 111 H CA . 15735 1 1196 . 1 1 111 111 HIS CB C 13 30.558 0.015 . 1 . . . . 111 H CB . 15735 1 1197 . 1 1 112 112 HIS HA H 1 4.341 0.001 . 1 . . . . 112 H HA . 15735 1 1198 . 1 1 112 112 HIS HB2 H 1 3.107 0.005 . 2 . . . . 112 H HB2 . 15735 1 1199 . 1 1 112 112 HIS HB3 H 1 2.971 0.004 . 2 . . . . 112 H HB3 . 15735 1 1200 . 1 1 112 112 HIS CA C 13 57.660 0.057 . 1 . . . . 112 H CA . 15735 1 1201 . 1 1 112 112 HIS CB C 13 30.739 0.057 . 1 . . . . 112 H CB . 15735 1 stop_ save_