data_16135 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16135 _Entry.Title ; Sequence-specific 1H, 15N, and 13C resonance assignments of the 23.7 kDa homodimeric toxin CcdB from Vibrio fischeri. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-23 _Entry.Accession_date 2009-01-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michal Respondek . . . 16135 2 Lieven Buts . . . 16135 3 Remy Loris . . . 16135 4 Klaus Zangger . . . 16135 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'NMR group, Uni Graz' . 16135 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16135 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 450 16135 '15N chemical shifts' 98 16135 '1H chemical shifts' 629 16135 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 4 . . 2010-04-16 2009-01-23 update BMRB 'add related PDB ID' 16135 3 . . 2009-08-20 2009-01-23 update BMRB 'added PubMed ID' 16135 2 . . 2009-06-05 2009-01-23 update BMRB 'completed entry citation' 16135 1 . . 2009-04-14 2009-01-23 original author 'original release' 16135 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KMT 'BMRB Entry Tracking System' 16135 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16135 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636967 _Citation.Full_citation . _Citation.Title 'Sequence-specific 1H, 15N and 13C resonance assignments of the 23.7-kDa homodimeric toxin CcdB from Vibrio fischeri' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolcular NMR Assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 1 _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 145 _Citation.Page_last 147 _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 Michal Respondek . . . 16135 1 2 Lieven Buts . . . 16135 1 3 Natalie 'De Jonge' . . . 16135 1 4 Sarah Haesaerts . . . 16135 1 5 Remy Loris . . . 16135 1 6 Laurence 'Van Melderen' . . . 16135 1 7 Lode Wyns . . . 16135 1 8 Klaus Zangger . . . 16135 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CcdB 16135 1 'chromosomal ccd operon' 16135 1 'homodimeric protein' 16135 1 'toxin-antitoxin systems' 16135 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16135 _Assembly.ID 1 _Assembly.Name 'CcdB homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'CcdB, chain 1' 1 $CcdB A . yes native no no . . . 16135 1 2 'CcdB, chain 2' 1 $CcdB B . yes native no no . . . 16135 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CcdB _Entity.Sf_category entity _Entity.Sf_framecode CcdB _Entity.Entry_ID 16135 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CcdB _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSQFTLYKNKDKSSAKTYPY FVDVQSDLLDNLNTRLVIPL TPIELLDKKAPSHLCPTIHI DEGDFIMLTQQMTSVPVKIL SEPVNELSTFRNEIIAAIDF LITGI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11.87 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-18 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 PDB 2KMT . "Nmr Solution Structure Of Vibrio Fischeri Ccdb" . . . . . 100.00 105 100.00 100.00 9.10e-69 . . . . 16135 1 2 no PDB 3JRZ . Ccdbvfi-Formii-Ph5.6 . . . . . 100.00 105 100.00 100.00 9.10e-69 . . . . 16135 1 3 no PDB 3JSC . Ccdbvfi-Formi-Ph7.0 . . . . . 100.00 105 100.00 100.00 9.10e-69 . . . . 16135 1 4 no PDB 3TCJ . "Ccdb Dimer From V. Fisheri In Complex With One C-terminal Domain Of F- Plasmid Ccda" . . . . . 100.00 105 100.00 100.00 9.10e-69 . . . . 16135 1 5 no PDB 4ELY . Ccdbvfi:gyra14ec . . . . . 100.00 105 100.00 100.00 9.10e-69 . . . . 16135 1 6 no PDB 4ELZ . Ccdbvfi:gyra14vfi . . . . . 100.00 105 100.00 100.00 9.10e-69 . . . . 16135 1 7 no GB AAO38253 . "CcdB [Aliivibrio fischeri]" . . . . . 100.00 105 100.00 100.00 9.10e-69 . . . . 16135 1 8 no GB ACH63869 . "CcdB [Vibrio fischeri MJ11]" . . . . . 100.00 105 100.00 100.00 9.10e-69 . . . . 16135 1 9 no GB EHN67942 . "CcdB [Vibrio fischeri SR5]" . . . . . 100.00 105 98.10 99.05 1.95e-67 . . . . 16135 1 10 no REF WP_005424093 . "plasmid maintenance protein CcdB [Aliivibrio fischeri]" . . . . . 100.00 105 98.10 99.05 1.95e-67 . . . . 16135 1 11 no REF WP_012535038 . "plasmid maintenance protein CcdB [Aliivibrio fischeri]" . . . . . 100.00 105 100.00 100.00 9.10e-69 . . . . 16135 1 12 no REF WP_054776277 . "plasmid maintenance protein CcdB [Aliivibrio fischeri]" . . . . . 100.00 105 99.05 100.00 3.23e-68 . . . . 16135 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID . abbreviation 16135 1 . common 16135 1 . variant 16135 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 . MET . 16135 1 2 . SER . 16135 1 3 . GLN . 16135 1 4 . PHE . 16135 1 5 . THR . 16135 1 6 . LEU . 16135 1 7 . TYR . 16135 1 8 . LYS . 16135 1 9 . ASN . 16135 1 10 . LYS . 16135 1 11 . ASP . 16135 1 12 . LYS . 16135 1 13 . SER . 16135 1 14 . SER . 16135 1 15 . ALA . 16135 1 16 . LYS . 16135 1 17 . THR . 16135 1 18 . TYR . 16135 1 19 . PRO . 16135 1 20 . TYR . 16135 1 21 . PHE . 16135 1 22 . VAL . 16135 1 23 . ASP . 16135 1 24 . VAL . 16135 1 25 . GLN . 16135 1 26 . SER . 16135 1 27 . ASP . 16135 1 28 . LEU . 16135 1 29 . LEU . 16135 1 30 . ASP . 16135 1 31 . ASN . 16135 1 32 . LEU . 16135 1 33 . ASN . 16135 1 34 . THR . 16135 1 35 . ARG . 16135 1 36 . LEU . 16135 1 37 . VAL . 16135 1 38 . ILE . 16135 1 39 . PRO . 16135 1 40 . LEU . 16135 1 41 . THR . 16135 1 42 . PRO . 16135 1 43 . ILE . 16135 1 44 . GLU . 16135 1 45 . LEU . 16135 1 46 . LEU . 16135 1 47 . ASP . 16135 1 48 . LYS . 16135 1 49 . LYS . 16135 1 50 . ALA . 16135 1 51 . PRO . 16135 1 52 . SER . 16135 1 53 . HIS . 16135 1 54 . LEU . 16135 1 55 . CYS . 16135 1 56 . PRO . 16135 1 57 . THR . 16135 1 58 . ILE . 16135 1 59 . HIS . 16135 1 60 . ILE . 16135 1 61 . ASP . 16135 1 62 . GLU . 16135 1 63 . GLY . 16135 1 64 . ASP . 16135 1 65 . PHE . 16135 1 66 . ILE . 16135 1 67 . MET . 16135 1 68 . LEU . 16135 1 69 . THR . 16135 1 70 . GLN . 16135 1 71 . GLN . 16135 1 72 . MET . 16135 1 73 . THR . 16135 1 74 . SER . 16135 1 75 . VAL . 16135 1 76 . PRO . 16135 1 77 . VAL . 16135 1 78 . LYS . 16135 1 79 . ILE . 16135 1 80 . LEU . 16135 1 81 . SER . 16135 1 82 . GLU . 16135 1 83 . PRO . 16135 1 84 . VAL . 16135 1 85 . ASN . 16135 1 86 . GLU . 16135 1 87 . LEU . 16135 1 88 . SER . 16135 1 89 . THR . 16135 1 90 . PHE . 16135 1 91 . ARG . 16135 1 92 . ASN . 16135 1 93 . GLU . 16135 1 94 . ILE . 16135 1 95 . ILE . 16135 1 96 . ALA . 16135 1 97 . ALA . 16135 1 98 . ILE . 16135 1 99 . ASP . 16135 1 100 . PHE . 16135 1 101 . LEU . 16135 1 102 . ILE . 16135 1 103 . THR . 16135 1 104 . GLY . 16135 1 105 . ILE . 16135 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 . MET 1 1 16135 1 . SER 2 2 16135 1 . GLN 3 3 16135 1 . PHE 4 4 16135 1 . THR 5 5 16135 1 . LEU 6 6 16135 1 . TYR 7 7 16135 1 . LYS 8 8 16135 1 . ASN 9 9 16135 1 . LYS 10 10 16135 1 . ASP 11 11 16135 1 . LYS 12 12 16135 1 . SER 13 13 16135 1 . SER 14 14 16135 1 . ALA 15 15 16135 1 . LYS 16 16 16135 1 . THR 17 17 16135 1 . TYR 18 18 16135 1 . PRO 19 19 16135 1 . TYR 20 20 16135 1 . PHE 21 21 16135 1 . VAL 22 22 16135 1 . ASP 23 23 16135 1 . VAL 24 24 16135 1 . GLN 25 25 16135 1 . SER 26 26 16135 1 . ASP 27 27 16135 1 . LEU 28 28 16135 1 . LEU 29 29 16135 1 . ASP 30 30 16135 1 . ASN 31 31 16135 1 . LEU 32 32 16135 1 . ASN 33 33 16135 1 . THR 34 34 16135 1 . ARG 35 35 16135 1 . LEU 36 36 16135 1 . VAL 37 37 16135 1 . ILE 38 38 16135 1 . PRO 39 39 16135 1 . LEU 40 40 16135 1 . THR 41 41 16135 1 . PRO 42 42 16135 1 . ILE 43 43 16135 1 . GLU 44 44 16135 1 . LEU 45 45 16135 1 . LEU 46 46 16135 1 . ASP 47 47 16135 1 . LYS 48 48 16135 1 . LYS 49 49 16135 1 . ALA 50 50 16135 1 . PRO 51 51 16135 1 . SER 52 52 16135 1 . HIS 53 53 16135 1 . LEU 54 54 16135 1 . CYS 55 55 16135 1 . PRO 56 56 16135 1 . THR 57 57 16135 1 . ILE 58 58 16135 1 . HIS 59 59 16135 1 . ILE 60 60 16135 1 . ASP 61 61 16135 1 . GLU 62 62 16135 1 . GLY 63 63 16135 1 . ASP 64 64 16135 1 . PHE 65 65 16135 1 . ILE 66 66 16135 1 . MET 67 67 16135 1 . LEU 68 68 16135 1 . THR 69 69 16135 1 . GLN 70 70 16135 1 . GLN 71 71 16135 1 . MET 72 72 16135 1 . THR 73 73 16135 1 . SER 74 74 16135 1 . VAL 75 75 16135 1 . PRO 76 76 16135 1 . VAL 77 77 16135 1 . LYS 78 78 16135 1 . ILE 79 79 16135 1 . LEU 80 80 16135 1 . SER 81 81 16135 1 . GLU 82 82 16135 1 . PRO 83 83 16135 1 . VAL 84 84 16135 1 . ASN 85 85 16135 1 . GLU 86 86 16135 1 . LEU 87 87 16135 1 . SER 88 88 16135 1 . THR 89 89 16135 1 . PHE 90 90 16135 1 . ARG 91 91 16135 1 . ASN 92 92 16135 1 . GLU 93 93 16135 1 . ILE 94 94 16135 1 . ILE 95 95 16135 1 . ALA 96 96 16135 1 . ALA 97 97 16135 1 . ILE 98 98 16135 1 . ASP 99 99 16135 1 . PHE 100 100 16135 1 . LEU 101 101 16135 1 . ILE 102 102 16135 1 . THR 103 103 16135 1 . GLY 104 104 16135 1 . ILE 105 105 16135 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 16135 _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 $CcdB . 668 organism . 'Vibrio fischeri' 'Vibrio fischeri' . . Bacteria . Vibrio fischeri . . . . . . . . . . . . . . . . . . . . . 16135 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 16135 _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 $CcdB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli B462 . . . . . . . . . . . . . . . pKK223-3 . . . . . . 16135 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16135 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CcdB '[U-100% 13C; U-100% 15N]' . . 1 $CcdB . . 4-6 . . mg . . . . 16135 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16135 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16135 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16135 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16135 1 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 16135 _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 pH 6.5 . pH 16135 1 pressure 1 . atm 16135 1 temperature 298 . K 16135 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16135 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16135 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16135 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16135 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16135 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16135 2 'peak picking' 16135 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16135 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16135 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16135 3 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 16135 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16135 _NMR_spectrometer.ID 2 _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 16135 _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 Varian INOVA . 600 . . . 16135 1 2 spectrometer_2 Bruker Avance . 500 . . . 16135 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 16135 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16135 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16135 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16135 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16135 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16135 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16135 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16135 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16135 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16135 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16135 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 16135 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Carbon and nitrogen were referenced indirectly based on the proton referencing and the ratio of gyromagnetic ratios. It was done automatically with the program nmrPipe. ; 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 water protons . . . . ppm 0.0 internal indirect . . . . . . . . . . 16135 1 H 1 water protons . . . . ppm 4.76 internal direct 1.0 . . . . . . . . . 16135 1 N 15 water protons . . . . Hz 2863.8 internal indirect . . . . . . . . . . 16135 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_assignments_ccdB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_ccdB _Assigned_chem_shift_list.Entry_ID 16135 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 16135 1 2 '3D HNCACB' . . . 16135 1 3 '3D CBCA(CO)NH' . . . 16135 1 4 '3D C(CO)NH' . . . 16135 1 5 '3D H(CCO)NH' . . . 16135 1 6 '3D HNCO' . . . 16135 1 7 '3D HCACO' . . . 16135 1 8 '3D HCCH-TOCSY' . . . 16135 1 9 '2D 1H-13C HSQC' . . . 16135 1 10 '2D 1H-15N HSQC' . . . 16135 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 16135 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 2 2 SER HA H 1 4.53 0.05 . 1 . . . . 2 SER HA . 16135 1 2 . 1 1 2 2 SER HB2 H 1 4.07 0.05 . 2 . . . . 2 SER HB1 . 16135 1 3 . 1 1 2 2 SER HB3 H 1 4.15 0.05 . 2 . . . . 2 SER HB2 . 16135 1 4 . 1 1 2 2 SER C C 13 171.57 0.1 . 1 . . . . 2 SER C . 16135 1 5 . 1 1 2 2 SER CA C 13 56.71 0.1 . 1 . . . . 2 SER CA . 16135 1 6 . 1 1 2 2 SER CB C 13 62.87 0.1 . 1 . . . . 2 SER CB . 16135 1 7 . 1 1 3 3 GLN H H 1 10.14 0.05 . 1 . . . . 3 GLN HN . 16135 1 8 . 1 1 3 3 GLN C C 13 177.06 0.1 . 1 . . . . 3 GLN C . 16135 1 9 . 1 1 3 3 GLN CA C 13 59.72 0.1 . 1 . . . . 3 GLN CA . 16135 1 10 . 1 1 3 3 GLN CB C 13 27.24 0.1 . 1 . . . . 3 GLN CB . 16135 1 11 . 1 1 3 3 GLN N N 15 127.63 0.5 . 1 . . . . 3 GLN N . 16135 1 12 . 1 1 4 4 PHE H H 1 9.48 0.05 . 1 . . . . 4 PHE HN . 16135 1 13 . 1 1 4 4 PHE HA H 1 4.07 0.05 . 1 . . . . 4 PHE HA . 16135 1 14 . 1 1 4 4 PHE HB2 H 1 3.08 0.05 . 2 . . . . 4 PHE HB1 . 16135 1 15 . 1 1 4 4 PHE HB3 H 1 3.51 0.05 . 2 . . . . 4 PHE HB2 . 16135 1 16 . 1 1 4 4 PHE HD1 H 1 7.15 0.05 . 3 . . . . 4 PHE HD1 . 16135 1 17 . 1 1 4 4 PHE HE1 H 1 7.24 0.05 . 3 . . . . 4 PHE HE1 . 16135 1 18 . 1 1 4 4 PHE C C 13 174.75 0.1 . 1 . . . . 4 PHE C . 16135 1 19 . 1 1 4 4 PHE CA C 13 59.50 0.1 . 1 . . . . 4 PHE CA . 16135 1 20 . 1 1 4 4 PHE CB C 13 35.70 0.1 . 1 . . . . 4 PHE CB . 16135 1 21 . 1 1 4 4 PHE CD1 C 13 129.54 0.1 . 3 . . . . 4 PHE CD1 . 16135 1 22 . 1 1 4 4 PHE CE1 C 13 130.83 0.1 . 3 . . . . 4 PHE CE1 . 16135 1 23 . 1 1 4 4 PHE N N 15 118.99 0.5 . 1 . . . . 4 PHE N . 16135 1 24 . 1 1 5 5 THR H H 1 8.58 0.05 . 1 . . . . 5 THR HN . 16135 1 25 . 1 1 5 5 THR HA H 1 4.31 0.05 . 1 . . . . 5 THR HA . 16135 1 26 . 1 1 5 5 THR HB H 1 4.24 0.05 . 1 . . . . 5 THR HB . 16135 1 27 . 1 1 5 5 THR HG21 H 1 0.77 0.05 . 1 . . . . 5 THR HG21 . 16135 1 28 . 1 1 5 5 THR HG22 H 1 0.77 0.05 . 1 . . . . 5 THR HG22 . 16135 1 29 . 1 1 5 5 THR HG23 H 1 0.77 0.05 . 1 . . . . 5 THR HG23 . 16135 1 30 . 1 1 5 5 THR C C 13 170.81 0.1 . 1 . . . . 5 THR C . 16135 1 31 . 1 1 5 5 THR CA C 13 65.36 0.1 . 1 . . . . 5 THR CA . 16135 1 32 . 1 1 5 5 THR CB C 13 68.32 0.1 . 1 . . . . 5 THR CB . 16135 1 33 . 1 1 5 5 THR CG2 C 13 22.29 0.1 . 1 . . . . 5 THR CG2 . 16135 1 34 . 1 1 5 5 THR N N 15 120.47 0.5 . 1 . . . . 5 THR N . 16135 1 35 . 1 1 6 6 LEU H H 1 8.38 0.05 . 1 . . . . 6 LEU HN . 16135 1 36 . 1 1 6 6 LEU HA H 1 4.85 0.05 . 1 . . . . 6 LEU HA . 16135 1 37 . 1 1 6 6 LEU HB2 H 1 1.57 0.05 . 9 . . . . 6 LEU HB1 . 16135 1 38 . 1 1 6 6 LEU HB3 H 1 1.57 0.05 . 9 . . . . 6 LEU HB2 . 16135 1 39 . 1 1 6 6 LEU HD11 H 1 0.53 0.05 . 9 . . . . 6 LEU HD11 . 16135 1 40 . 1 1 6 6 LEU HD12 H 1 0.53 0.05 . 9 . . . . 6 LEU HD12 . 16135 1 41 . 1 1 6 6 LEU HD13 H 1 0.53 0.05 . 9 . . . . 6 LEU HD13 . 16135 1 42 . 1 1 6 6 LEU HD21 H 1 0.01 0.05 . 9 . . . . 6 LEU HD21 . 16135 1 43 . 1 1 6 6 LEU HD22 H 1 0.01 0.05 . 9 . . . . 6 LEU HD22 . 16135 1 44 . 1 1 6 6 LEU HD23 H 1 0.01 0.05 . 9 . . . . 6 LEU HD23 . 16135 1 45 . 1 1 6 6 LEU C C 13 174.24 0.1 . 1 . . . . 6 LEU C . 16135 1 46 . 1 1 6 6 LEU CA C 13 53.06 0.1 . 1 . . . . 6 LEU CA . 16135 1 47 . 1 1 6 6 LEU CB C 13 45.64 0.1 . 9 . . . . 6 LEU CB . 16135 1 48 . 1 1 6 6 LEU CD1 C 13 26.24 0.1 . 9 . . . . 6 LEU CD1 . 16135 1 49 . 1 1 6 6 LEU CD2 C 13 26.11 0.1 . 9 . . . . 6 LEU CD2 . 16135 1 50 . 1 1 6 6 LEU CG C 13 26.04 0.1 . 1 . . . . 6 LEU CG . 16135 1 51 . 1 1 6 6 LEU N N 15 128.02 0.5 . 1 . . . . 6 LEU N . 16135 1 52 . 1 1 7 7 TYR H H 1 9.56 0.05 . 1 . . . . 7 TYR HN . 16135 1 53 . 1 1 7 7 TYR HA H 1 5.17 0.05 . 1 . . . . 7 TYR HA . 16135 1 54 . 1 1 7 7 TYR HB2 H 1 2.56 0.05 . 2 . . . . 7 TYR HB1 . 16135 1 55 . 1 1 7 7 TYR HB3 H 1 3.35 0.05 . 2 . . . . 7 TYR HB2 . 16135 1 56 . 1 1 7 7 TYR C C 13 176.05 0.1 . 1 . . . . 7 TYR C . 16135 1 57 . 1 1 7 7 TYR CA C 13 57.28 0.1 . 1 . . . . 7 TYR CA . 16135 1 58 . 1 1 7 7 TYR CB C 13 41.92 0.1 . 1 . . . . 7 TYR CB . 16135 1 59 . 1 1 7 7 TYR N N 15 125.34 0.5 . 1 . . . . 7 TYR N . 16135 1 60 . 1 1 8 8 LYS H H 1 8.75 0.05 . 1 . . . . 8 LYS HN . 16135 1 61 . 1 1 8 8 LYS HA H 1 4.40 0.05 . 1 . . . . 8 LYS HA . 16135 1 62 . 1 1 8 8 LYS HB2 H 1 1.90 0.05 . 2 . . . . 8 LYS HB1 . 16135 1 63 . 1 1 8 8 LYS HB3 H 1 1.90 0.05 . 2 . . . . 8 LYS HB2 . 16135 1 64 . 1 1 8 8 LYS HD2 H 1 1.72 0.05 . 2 . . . . 8 LYS HD1 . 16135 1 65 . 1 1 8 8 LYS HD3 H 1 1.72 0.05 . 2 . . . . 8 LYS HD2 . 16135 1 66 . 1 1 8 8 LYS HE2 H 1 3.05 0.05 . 2 . . . . 8 LYS HE1 . 16135 1 67 . 1 1 8 8 LYS HE3 H 1 3.05 0.05 . 2 . . . . 8 LYS HE2 . 16135 1 68 . 1 1 8 8 LYS HG2 H 1 1.32 0.05 . 2 . . . . 8 LYS HG2 . 16135 1 69 . 1 1 8 8 LYS C C 13 175.70 0.1 . 1 . . . . 8 LYS C . 16135 1 70 . 1 1 8 8 LYS CA C 13 56.78 0.1 . 1 . . . . 8 LYS CA . 16135 1 71 . 1 1 8 8 LYS CB C 13 34.04 0.1 . 1 . . . . 8 LYS CB . 16135 1 72 . 1 1 8 8 LYS CD C 13 29.54 0.1 . 1 . . . . 8 LYS CD . 16135 1 73 . 1 1 8 8 LYS CG C 13 25.79 0.1 . 1 . . . . 8 LYS CG . 16135 1 74 . 1 1 8 8 LYS N N 15 121.67 0.5 . 1 . . . . 8 LYS N . 16135 1 75 . 1 1 9 9 ASN H H 1 7.81 0.05 . 1 . . . . 9 ASN HN . 16135 1 76 . 1 1 9 9 ASN HA H 1 4.61 0.05 . 1 . . . . 9 ASN HA . 16135 1 77 . 1 1 9 9 ASN HB2 H 1 2.82 0.05 . 2 . . . . 9 ASN HB1 . 16135 1 78 . 1 1 9 9 ASN HB3 H 1 2.82 0.05 . 2 . . . . 9 ASN HB2 . 16135 1 79 . 1 1 9 9 ASN C C 13 175.64 0.1 . 1 . . . . 9 ASN C . 16135 1 80 . 1 1 9 9 ASN CA C 13 52.30 0.1 . 1 . . . . 9 ASN CA . 16135 1 81 . 1 1 9 9 ASN CB C 13 37.69 0.1 . 1 . . . . 9 ASN CB . 16135 1 82 . 1 1 9 9 ASN N N 15 123.53 0.5 . 1 . . . . 9 ASN N . 16135 1 83 . 1 1 10 10 LYS H H 1 8.80 0.05 . 1 . . . . 10 LYS HN . 16135 1 84 . 1 1 10 10 LYS HA H 1 4.20 0.05 . 1 . . . . 10 LYS HA . 16135 1 85 . 1 1 10 10 LYS HB2 H 1 2.11 0.05 . 2 . . . . 10 LYS HB1 . 16135 1 86 . 1 1 10 10 LYS HB3 H 1 2.11 0.05 . 2 . . . . 10 LYS HB2 . 16135 1 87 . 1 1 10 10 LYS HD2 H 1 1.74 0.05 . 2 . . . . 10 LYS HD1 . 16135 1 88 . 1 1 10 10 LYS HD3 H 1 1.74 0.05 . 2 . . . . 10 LYS HD2 . 16135 1 89 . 1 1 10 10 LYS HE2 H 1 3.12 0.05 . 2 . . . . 10 LYS HE1 . 16135 1 90 . 1 1 10 10 LYS HE3 H 1 3.12 0.05 . 2 . . . . 10 LYS HE2 . 16135 1 91 . 1 1 10 10 LYS HG2 H 1 1.66 0.05 . 2 . . . . 10 LYS HG2 . 16135 1 92 . 1 1 10 10 LYS C C 13 176.54 0.1 . 1 . . . . 10 LYS C . 16135 1 93 . 1 1 10 10 LYS CA C 13 55.61 0.1 . 1 . . . . 10 LYS CA . 16135 1 94 . 1 1 10 10 LYS CB C 13 31.18 0.1 . 1 . . . . 10 LYS CB . 16135 1 95 . 1 1 10 10 LYS CD C 13 30.19 0.1 . 1 . . . . 10 LYS CD . 16135 1 96 . 1 1 10 10 LYS CE C 13 41.40 0.1 . 1 . . . . 10 LYS CE . 16135 1 97 . 1 1 10 10 LYS CG C 13 24.03 0.1 . 1 . . . . 10 LYS CG . 16135 1 98 . 1 1 10 10 LYS N N 15 126.10 0.5 . 1 . . . . 10 LYS N . 16135 1 99 . 1 1 11 11 ASP H H 1 8.07 0.05 . 1 . . . . 11 ASP HN . 16135 1 100 . 1 1 11 11 ASP HA H 1 4.62 0.05 . 1 . . . . 11 ASP HA . 16135 1 101 . 1 1 11 11 ASP HB2 H 1 2.74 0.05 . 2 . . . . 11 ASP HB1 . 16135 1 102 . 1 1 11 11 ASP HB3 H 1 3.29 0.05 . 2 . . . . 11 ASP HB2 . 16135 1 103 . 1 1 11 11 ASP C C 13 175.80 0.1 . 1 . . . . 11 ASP C . 16135 1 104 . 1 1 11 11 ASP CA C 13 53.40 0.1 . 1 . . . . 11 ASP CA . 16135 1 105 . 1 1 11 11 ASP CB C 13 41.12 0.1 . 1 . . . . 11 ASP CB . 16135 1 106 . 1 1 11 11 ASP N N 15 121.49 0.5 . 1 . . . . 11 ASP N . 16135 1 107 . 1 1 12 12 LYS H H 1 8.64 0.05 . 1 . . . . 12 LYS HN . 16135 1 108 . 1 1 12 12 LYS HA H 1 3.97 0.05 . 1 . . . . 12 LYS HA . 16135 1 109 . 1 1 12 12 LYS HB2 H 1 1.88 0.05 . 2 . . . . 12 LYS HB1 . 16135 1 110 . 1 1 12 12 LYS HB3 H 1 1.88 0.05 . 2 . . . . 12 LYS HB2 . 16135 1 111 . 1 1 12 12 LYS HD2 H 1 1.70 0.05 . 2 . . . . 12 LYS HD1 . 16135 1 112 . 1 1 12 12 LYS HD3 H 1 1.70 0.05 . 2 . . . . 12 LYS HD2 . 16135 1 113 . 1 1 12 12 LYS HE2 H 1 3.15 0.05 . 2 . . . . 12 LYS HE1 . 16135 1 114 . 1 1 12 12 LYS HE3 H 1 3.15 0.05 . 2 . . . . 12 LYS HE2 . 16135 1 115 . 1 1 12 12 LYS HG2 H 1 1.51 0.05 . 2 . . . . 12 LYS HG2 . 16135 1 116 . 1 1 12 12 LYS C C 13 178.60 0.1 . 1 . . . . 12 LYS C . 16135 1 117 . 1 1 12 12 LYS CA C 13 58.99 0.1 . 1 . . . . 12 LYS CA . 16135 1 118 . 1 1 12 12 LYS CB C 13 32.28 0.1 . 1 . . . . 12 LYS CB . 16135 1 119 . 1 1 12 12 LYS CD C 13 30.48 0.1 . 1 . . . . 12 LYS CD . 16135 1 120 . 1 1 12 12 LYS CE C 13 41.72 0.1 . 1 . . . . 12 LYS CE . 16135 1 121 . 1 1 12 12 LYS CG C 13 24.94 0.1 . 1 . . . . 12 LYS CG . 16135 1 122 . 1 1 12 12 LYS N N 15 126.69 0.5 . 1 . . . . 12 LYS N . 16135 1 123 . 1 1 13 13 SER H H 1 8.46 0.05 . 1 . . . . 13 SER HN . 16135 1 124 . 1 1 13 13 SER HA H 1 4.36 0.05 . 1 . . . . 13 SER HA . 16135 1 125 . 1 1 13 13 SER HB2 H 1 3.99 0.05 . 2 . . . . 13 SER HB1 . 16135 1 126 . 1 1 13 13 SER HB3 H 1 3.99 0.05 . 2 . . . . 13 SER HB2 . 16135 1 127 . 1 1 13 13 SER C C 13 175.63 0.1 . 1 . . . . 13 SER C . 16135 1 128 . 1 1 13 13 SER CA C 13 60.84 0.1 . 1 . . . . 13 SER CA . 16135 1 129 . 1 1 13 13 SER CB C 13 62.72 0.1 . 1 . . . . 13 SER CB . 16135 1 130 . 1 1 13 13 SER N N 15 113.60 0.5 . 1 . . . . 13 SER N . 16135 1 131 . 1 1 14 14 SER H H 1 7.75 0.05 . 1 . . . . 14 SER HN . 16135 1 132 . 1 1 14 14 SER HA H 1 4.72 0.05 . 1 . . . . 14 SER HA . 16135 1 133 . 1 1 14 14 SER HB2 H 1 3.86 0.05 . 2 . . . . 14 SER HB1 . 16135 1 134 . 1 1 14 14 SER HB3 H 1 4.17 0.05 . 2 . . . . 14 SER HB2 . 16135 1 135 . 1 1 14 14 SER C C 13 175.77 0.1 . 1 . . . . 14 SER C . 16135 1 136 . 1 1 14 14 SER CA C 13 58.30 0.1 . 1 . . . . 14 SER CA . 16135 1 137 . 1 1 14 14 SER CB C 13 64.78 0.1 . 1 . . . . 14 SER CB . 16135 1 138 . 1 1 14 14 SER N N 15 114.05 0.5 . 1 . . . . 14 SER N . 16135 1 139 . 1 1 15 15 ALA H H 1 7.89 0.05 . 1 . . . . 15 ALA HN . 16135 1 140 . 1 1 15 15 ALA HA H 1 3.85 0.05 . 1 . . . . 15 ALA HA . 16135 1 141 . 1 1 15 15 ALA HB1 H 1 1.56 0.05 . 1 . . . . 15 ALA HB1 . 16135 1 142 . 1 1 15 15 ALA HB2 H 1 1.56 0.05 . 1 . . . . 15 ALA HB2 . 16135 1 143 . 1 1 15 15 ALA HB3 H 1 1.56 0.05 . 1 . . . . 15 ALA HB3 . 16135 1 144 . 1 1 15 15 ALA C C 13 177.94 0.1 . 1 . . . . 15 ALA C . 16135 1 145 . 1 1 15 15 ALA CA C 13 54.42 0.1 . 1 . . . . 15 ALA CA . 16135 1 146 . 1 1 15 15 ALA CB C 13 18.69 0.1 . 1 . . . . 15 ALA CB . 16135 1 147 . 1 1 15 15 ALA N N 15 125.45 0.5 . 1 . . . . 15 ALA N . 16135 1 148 . 1 1 16 16 LYS H H 1 7.73 0.05 . 1 . . . . 16 LYS HN . 16135 1 149 . 1 1 16 16 LYS HA H 1 3.95 0.05 . 1 . . . . 16 LYS HA . 16135 1 150 . 1 1 16 16 LYS HB2 H 1 1.79 0.05 . 2 . . . . 16 LYS HB1 . 16135 1 151 . 1 1 16 16 LYS HB3 H 1 1.79 0.05 . 2 . . . . 16 LYS HB2 . 16135 1 152 . 1 1 16 16 LYS HD2 H 1 1.71 0.05 . 2 . . . . 16 LYS HD1 . 16135 1 153 . 1 1 16 16 LYS HD3 H 1 1.71 0.05 . 2 . . . . 16 LYS HD2 . 16135 1 154 . 1 1 16 16 LYS HE2 H 1 2.98 0.05 . 2 . . . . 16 LYS HE1 . 16135 1 155 . 1 1 16 16 LYS HE3 H 1 2.98 0.05 . 2 . . . . 16 LYS HE2 . 16135 1 156 . 1 1 16 16 LYS HG2 H 1 1.40 0.05 . 2 . . . . 16 LYS HG2 . 16135 1 157 . 1 1 16 16 LYS C C 13 177.49 0.1 . 1 . . . . 16 LYS C . 16135 1 158 . 1 1 16 16 LYS CA C 13 58.54 0.1 . 1 . . . . 16 LYS CA . 16135 1 159 . 1 1 16 16 LYS CB C 13 31.96 0.1 . 1 . . . . 16 LYS CB . 16135 1 160 . 1 1 16 16 LYS CD C 13 28.94 0.1 . 1 . . . . 16 LYS CD . 16135 1 161 . 1 1 16 16 LYS CE C 13 41.81 0.1 . 1 . . . . 16 LYS CE . 16135 1 162 . 1 1 16 16 LYS CG C 13 24.95 0.1 . 1 . . . . 16 LYS CG . 16135 1 163 . 1 1 16 16 LYS N N 15 115.12 0.5 . 1 . . . . 16 LYS N . 16135 1 164 . 1 1 17 17 THR H H 1 7.11 0.05 . 1 . . . . 17 THR HN . 16135 1 165 . 1 1 17 17 THR HA H 1 3.93 0.05 . 1 . . . . 17 THR HA . 16135 1 166 . 1 1 17 17 THR HB H 1 3.49 0.05 . 1 . . . . 17 THR HB . 16135 1 167 . 1 1 17 17 THR HG21 H 1 0.63 0.05 . 1 . . . . 17 THR HG21 . 16135 1 168 . 1 1 17 17 THR HG22 H 1 0.63 0.05 . 1 . . . . 17 THR HG22 . 16135 1 169 . 1 1 17 17 THR HG23 H 1 0.63 0.05 . 1 . . . . 17 THR HG23 . 16135 1 170 . 1 1 17 17 THR C C 13 173.51 0.1 . 1 . . . . 17 THR C . 16135 1 171 . 1 1 17 17 THR CA C 13 64.26 0.1 . 1 . . . . 17 THR CA . 16135 1 172 . 1 1 17 17 THR CB C 13 69.28 0.1 . 1 . . . . 17 THR CB . 16135 1 173 . 1 1 17 17 THR CG2 C 13 21.91 0.1 . 1 . . . . 17 THR CG2 . 16135 1 174 . 1 1 17 17 THR N N 15 111.34 0.5 . 1 . . . . 17 THR N . 16135 1 175 . 1 1 18 18 TYR H H 1 7.98 0.05 . 1 . . . . 18 TYR HN . 16135 1 176 . 1 1 18 18 TYR HA H 1 6.12 0.05 . 1 . . . . 18 TYR HA . 16135 1 177 . 1 1 18 18 TYR HB2 H 1 2.76 0.05 . 2 . . . . 18 TYR HB1 . 16135 1 178 . 1 1 18 18 TYR HB3 H 1 2.76 0.05 . 2 . . . . 18 TYR HB2 . 16135 1 179 . 1 1 18 18 TYR HD1 H 1 7.12 0.05 . 3 . . . . 18 TYR HD1 . 16135 1 180 . 1 1 18 18 TYR HE1 H 1 6.51 0.05 . 3 . . . . 18 TYR HE1 . 16135 1 181 . 1 1 18 18 TYR C C 13 172.79 0.1 . 1 . . . . 18 TYR C . 16135 1 182 . 1 1 18 18 TYR CA C 13 51.35 0.1 . 1 . . . . 18 TYR CA . 16135 1 183 . 1 1 18 18 TYR CB C 13 37.96 0.1 . 1 . . . . 18 TYR CB . 16135 1 184 . 1 1 18 18 TYR CD1 C 13 133.15 0.1 . 3 . . . . 18 TYR CD1 . 16135 1 185 . 1 1 18 18 TYR CE1 C 13 117.52 0.1 . 3 . . . . 18 TYR CE1 . 16135 1 186 . 1 1 18 18 TYR N N 15 117.52 0.5 . 1 . . . . 18 TYR N . 16135 1 187 . 1 1 19 19 PRO HA H 1 4.39 0.05 . 1 . . . . 19 PRO HA . 16135 1 188 . 1 1 19 19 PRO HG2 H 1 2.27 0.05 . 2 . . . . 19 PRO HG2 . 16135 1 189 . 1 1 19 19 PRO C C 13 176.82 0.1 . 1 . . . . 19 PRO C . 16135 1 190 . 1 1 19 19 PRO CA C 13 64.99 0.1 . 1 . . . . 19 PRO CA . 16135 1 191 . 1 1 19 19 PRO CB C 13 31.83 0.1 . 1 . . . . 19 PRO CB . 16135 1 192 . 1 1 19 19 PRO CG C 13 28.07 0.1 . 1 . . . . 19 PRO CG . 16135 1 193 . 1 1 20 20 TYR H H 1 6.76 0.05 . 1 . . . . 20 TYR HN . 16135 1 194 . 1 1 20 20 TYR HA H 1 5.37 0.05 . 1 . . . . 20 TYR HA . 16135 1 195 . 1 1 20 20 TYR HB2 H 1 2.91 0.05 . 2 . . . . 20 TYR HB1 . 16135 1 196 . 1 1 20 20 TYR HB3 H 1 2.91 0.05 . 2 . . . . 20 TYR HB2 . 16135 1 197 . 1 1 20 20 TYR HD1 H 1 6.33 0.05 . 3 . . . . 20 TYR HD1 . 16135 1 198 . 1 1 20 20 TYR HE1 H 1 6.80 0.05 . 3 . . . . 20 TYR HE1 . 16135 1 199 . 1 1 20 20 TYR C C 13 173.21 0.1 . 1 . . . . 20 TYR C . 16135 1 200 . 1 1 20 20 TYR CA C 13 55.06 0.1 . 1 . . . . 20 TYR CA . 16135 1 201 . 1 1 20 20 TYR CB C 13 45.47 0.1 . 1 . . . . 20 TYR CB . 16135 1 202 . 1 1 20 20 TYR CD1 C 13 132.43 0.1 . 3 . . . . 20 TYR CD1 . 16135 1 203 . 1 1 20 20 TYR CE1 C 13 117.96 0.1 . 3 . . . . 20 TYR CE1 . 16135 1 204 . 1 1 20 20 TYR N N 15 110.26 0.5 . 1 . . . . 20 TYR N . 16135 1 205 . 1 1 21 21 PHE H H 1 9.00 0.05 . 1 . . . . 21 PHE HN . 16135 1 206 . 1 1 21 21 PHE HA H 1 5.33 0.05 . 1 . . . . 21 PHE HA . 16135 1 207 . 1 1 21 21 PHE HB2 H 1 2.58 0.05 . 2 . . . . 21 PHE HB1 . 16135 1 208 . 1 1 21 21 PHE HB3 H 1 2.89 0.05 . 2 . . . . 21 PHE HB2 . 16135 1 209 . 1 1 21 21 PHE HD1 H 1 6.77 0.05 . 3 . . . . 21 PHE HD1 . 16135 1 210 . 1 1 21 21 PHE HE1 H 1 7.12 0.05 . 3 . . . . 21 PHE HE1 . 16135 1 211 . 1 1 21 21 PHE C C 13 174.86 0.1 . 1 . . . . 21 PHE C . 16135 1 212 . 1 1 21 21 PHE CA C 13 55.21 0.1 . 1 . . . . 21 PHE CA . 16135 1 213 . 1 1 21 21 PHE CB C 13 43.55 0.1 . 1 . . . . 21 PHE CB . 16135 1 214 . 1 1 21 21 PHE CD1 C 13 130.58 0.1 . 3 . . . . 21 PHE CD1 . 16135 1 215 . 1 1 21 21 PHE CE1 C 13 130.58 0.1 . 3 . . . . 21 PHE CE1 . 16135 1 216 . 1 1 21 21 PHE N N 15 115.45 0.5 . 1 . . . . 21 PHE N . 16135 1 217 . 1 1 22 22 VAL H H 1 9.23 0.05 . 1 . . . . 22 VAL HN . 16135 1 218 . 1 1 22 22 VAL HA H 1 5.25 0.05 . 1 . . . . 22 VAL HA . 16135 1 219 . 1 1 22 22 VAL HB H 1 1.88 0.05 . 1 . . . . 22 VAL HB . 16135 1 220 . 1 1 22 22 VAL HG11 H 1 0.92 0.05 . 2 . . . . 22 VAL HG11 . 16135 1 221 . 1 1 22 22 VAL HG12 H 1 0.92 0.05 . 2 . . . . 22 VAL HG12 . 16135 1 222 . 1 1 22 22 VAL HG13 H 1 0.92 0.05 . 2 . . . . 22 VAL HG13 . 16135 1 223 . 1 1 22 22 VAL HG21 H 1 1.03 0.05 . 2 . . . . 22 VAL HG21 . 16135 1 224 . 1 1 22 22 VAL HG22 H 1 1.03 0.05 . 2 . . . . 22 VAL HG22 . 16135 1 225 . 1 1 22 22 VAL HG23 H 1 1.03 0.05 . 2 . . . . 22 VAL HG23 . 16135 1 226 . 1 1 22 22 VAL C C 13 174.30 0.1 . 1 . . . . 22 VAL C . 16135 1 227 . 1 1 22 22 VAL CA C 13 58.80 0.1 . 1 . . . . 22 VAL CA . 16135 1 228 . 1 1 22 22 VAL CB C 13 34.82 0.1 . 1 . . . . 22 VAL CB . 16135 1 229 . 1 1 22 22 VAL CG1 C 13 22.29 0.1 . 2 . . . . 22 VAL CG1 . 16135 1 230 . 1 1 22 22 VAL CG2 C 13 20.09 0.1 . 2 . . . . 22 VAL CG2 . 16135 1 231 . 1 1 22 22 VAL N N 15 121.34 0.5 . 1 . . . . 22 VAL N . 16135 1 232 . 1 1 23 23 ASP H H 1 8.23 0.05 . 1 . . . . 23 ASP HN . 16135 1 233 . 1 1 23 23 ASP HA H 1 4.92 0.05 . 1 . . . . 23 ASP HA . 16135 1 234 . 1 1 23 23 ASP HB2 H 1 2.57 0.05 . 2 . . . . 23 ASP HB1 . 16135 1 235 . 1 1 23 23 ASP HB3 H 1 2.57 0.05 . 2 . . . . 23 ASP HB2 . 16135 1 236 . 1 1 23 23 ASP C C 13 177.57 0.1 . 1 . . . . 23 ASP C . 16135 1 237 . 1 1 23 23 ASP CA C 13 53.40 0.1 . 1 . . . . 23 ASP CA . 16135 1 238 . 1 1 23 23 ASP CB C 13 41.93 0.1 . 1 . . . . 23 ASP CB . 16135 1 239 . 1 1 23 23 ASP N N 15 128.09 0.5 . 1 . . . . 23 ASP N . 16135 1 240 . 1 1 24 24 VAL H H 1 8.93 0.05 . 1 . . . . 24 VAL HN . 16135 1 241 . 1 1 24 24 VAL HA H 1 4.52 0.05 . 1 . . . . 24 VAL HA . 16135 1 242 . 1 1 24 24 VAL HB H 1 2.53 0.05 . 1 . . . . 24 VAL HB . 16135 1 243 . 1 1 24 24 VAL HG11 H 1 0.96 0.05 . 2 . . . . 24 VAL HG11 . 16135 1 244 . 1 1 24 24 VAL HG12 H 1 0.96 0.05 . 2 . . . . 24 VAL HG12 . 16135 1 245 . 1 1 24 24 VAL HG13 H 1 0.96 0.05 . 2 . . . . 24 VAL HG13 . 16135 1 246 . 1 1 24 24 VAL HG21 H 1 0.65 0.05 . 2 . . . . 24 VAL HG21 . 16135 1 247 . 1 1 24 24 VAL HG22 H 1 0.65 0.05 . 2 . . . . 24 VAL HG22 . 16135 1 248 . 1 1 24 24 VAL HG23 H 1 0.65 0.05 . 2 . . . . 24 VAL HG23 . 16135 1 249 . 1 1 24 24 VAL C C 13 174.48 0.1 . 1 . . . . 24 VAL C . 16135 1 250 . 1 1 24 24 VAL CA C 13 60.44 0.1 . 1 . . . . 24 VAL CA . 16135 1 251 . 1 1 24 24 VAL CB C 13 31.41 0.1 . 1 . . . . 24 VAL CB . 16135 1 252 . 1 1 24 24 VAL CG1 C 13 22.54 0.1 . 2 . . . . 24 VAL CG1 . 16135 1 253 . 1 1 24 24 VAL CG2 C 13 18.36 0.1 . 2 . . . . 24 VAL CG2 . 16135 1 254 . 1 1 24 24 VAL N N 15 120.83 0.5 . 1 . . . . 24 VAL N . 16135 1 255 . 1 1 25 25 GLN H H 1 8.97 0.05 . 1 . . . . 25 GLN HN . 16135 1 256 . 1 1 25 25 GLN HA H 1 4.18 0.05 . 1 . . . . 25 GLN HA . 16135 1 257 . 1 1 25 25 GLN HB2 H 1 2.12 0.05 . 2 . . . . 25 GLN HB1 . 16135 1 258 . 1 1 25 25 GLN HB3 H 1 2.12 0.05 . 2 . . . . 25 GLN HB2 . 16135 1 259 . 1 1 25 25 GLN C C 13 175.04 0.1 . 1 . . . . 25 GLN C . 16135 1 260 . 1 1 25 25 GLN CA C 13 56.45 0.1 . 1 . . . . 25 GLN CA . 16135 1 261 . 1 1 25 25 GLN CB C 13 32.22 0.1 . 1 . . . . 25 GLN CB . 16135 1 262 . 1 1 25 25 GLN CG C 13 35.31 0.1 . 1 . . . . 25 GLN CG . 16135 1 263 . 1 1 25 25 GLN N N 15 127.01 0.5 . 1 . . . . 25 GLN N . 16135 1 264 . 1 1 26 26 SER H H 1 8.58 0.05 . 1 . . . . 26 SER HN . 16135 1 265 . 1 1 26 26 SER HA H 1 3.68 0.05 . 1 . . . . 26 SER HA . 16135 1 266 . 1 1 26 26 SER HB2 H 1 3.32 0.05 . 2 . . . . 26 SER HB1 . 16135 1 267 . 1 1 26 26 SER HB3 H 1 3.58 0.05 . 2 . . . . 26 SER HB2 . 16135 1 268 . 1 1 26 26 SER C C 13 177.79 0.1 . 1 . . . . 26 SER C . 16135 1 269 . 1 1 26 26 SER CA C 13 59.20 0.1 . 1 . . . . 26 SER CA . 16135 1 270 . 1 1 26 26 SER CB C 13 63.87 0.1 . 1 . . . . 26 SER CB . 16135 1 271 . 1 1 26 26 SER N N 15 117.28 0.5 . 1 . . . . 26 SER N . 16135 1 272 . 1 1 27 27 ASP H H 1 8.78 0.05 . 1 . . . . 27 ASP HN . 16135 1 273 . 1 1 27 27 ASP HA H 1 4.49 0.05 . 1 . . . . 27 ASP HA . 16135 1 274 . 1 1 27 27 ASP HB2 H 1 2.48 0.05 . 2 . . . . 27 ASP HB1 . 16135 1 275 . 1 1 27 27 ASP HB3 H 1 2.86 0.05 . 2 . . . . 27 ASP HB2 . 16135 1 276 . 1 1 27 27 ASP C C 13 177.20 0.1 . 1 . . . . 27 ASP C . 16135 1 277 . 1 1 27 27 ASP CA C 13 57.31 0.1 . 1 . . . . 27 ASP CA . 16135 1 278 . 1 1 27 27 ASP CB C 13 40.77 0.1 . 1 . . . . 27 ASP CB . 16135 1 279 . 1 1 27 27 ASP N N 15 129.78 0.5 . 1 . . . . 27 ASP N . 16135 1 280 . 1 1 28 28 LEU H H 1 8.07 0.05 . 1 . . . . 28 LEU HN . 16135 1 281 . 1 1 28 28 LEU HA H 1 4.22 0.05 . 1 . . . . 28 LEU HA . 16135 1 282 . 1 1 28 28 LEU HB2 H 1 1.60 0.05 . 2 . . . . 28 LEU HB1 . 16135 1 283 . 1 1 28 28 LEU HB3 H 1 1.60 0.05 . 2 . . . . 28 LEU HB2 . 16135 1 284 . 1 1 28 28 LEU HD11 H 1 0.89 0.05 . 2 . . . . 28 LEU HD11 . 16135 1 285 . 1 1 28 28 LEU HD12 H 1 0.89 0.05 . 2 . . . . 28 LEU HD12 . 16135 1 286 . 1 1 28 28 LEU HD13 H 1 0.89 0.05 . 2 . . . . 28 LEU HD13 . 16135 1 287 . 1 1 28 28 LEU HD21 H 1 0.94 0.05 . 2 . . . . 28 LEU HD21 . 16135 1 288 . 1 1 28 28 LEU HD22 H 1 0.94 0.05 . 2 . . . . 28 LEU HD22 . 16135 1 289 . 1 1 28 28 LEU HD23 H 1 0.94 0.05 . 2 . . . . 28 LEU HD23 . 16135 1 290 . 1 1 28 28 LEU C C 13 178.09 0.1 . 1 . . . . 28 LEU C . 16135 1 291 . 1 1 28 28 LEU CA C 13 56.57 0.1 . 1 . . . . 28 LEU CA . 16135 1 292 . 1 1 28 28 LEU CB C 13 41.43 0.1 . 1 . . . . 28 LEU CB . 16135 1 293 . 1 1 28 28 LEU CD1 C 13 25.50 0.1 . 2 . . . . 28 LEU CD1 . 16135 1 294 . 1 1 28 28 LEU CD2 C 13 23.88 0.1 . 2 . . . . 28 LEU CD2 . 16135 1 295 . 1 1 28 28 LEU N N 15 119.16 0.5 . 1 . . . . 28 LEU N . 16135 1 296 . 1 1 29 29 LEU H H 1 7.29 0.05 . 1 . . . . 29 LEU HN . 16135 1 297 . 1 1 29 29 LEU HA H 1 4.71 0.05 . 1 . . . . 29 LEU HA . 16135 1 298 . 1 1 29 29 LEU HB2 H 1 1.59 0.05 . 2 . . . . 29 LEU HB1 . 16135 1 299 . 1 1 29 29 LEU HB3 H 1 1.59 0.05 . 2 . . . . 29 LEU HB2 . 16135 1 300 . 1 1 29 29 LEU HD21 H 1 0.84 0.05 . 2 . . . . 29 LEU HD21 . 16135 1 301 . 1 1 29 29 LEU HD22 H 1 0.84 0.05 . 2 . . . . 29 LEU HD22 . 16135 1 302 . 1 1 29 29 LEU HD23 H 1 0.84 0.05 . 2 . . . . 29 LEU HD23 . 16135 1 303 . 1 1 29 29 LEU HG H 1 0.86 0.05 . 1 . . . . 29 LEU HG . 16135 1 304 . 1 1 29 29 LEU C C 13 175.83 0.1 . 1 . . . . 29 LEU C . 16135 1 305 . 1 1 29 29 LEU CA C 13 53.14 0.1 . 1 . . . . 29 LEU CA . 16135 1 306 . 1 1 29 29 LEU CB C 13 40.57 0.1 . 1 . . . . 29 LEU CB . 16135 1 307 . 1 1 29 29 LEU CD1 C 13 23.61 0.1 . 2 . . . . 29 LEU CD1 . 16135 1 308 . 1 1 29 29 LEU CD2 C 13 23.72 0.1 . 2 . . . . 29 LEU CD2 . 16135 1 309 . 1 1 29 29 LEU CG C 13 27.22 0.1 . 1 . . . . 29 LEU CG . 16135 1 310 . 1 1 29 29 LEU N N 15 119.96 0.5 . 1 . . . . 29 LEU N . 16135 1 311 . 1 1 30 30 ASP H H 1 7.43 0.05 . 1 . . . . 30 ASP HN . 16135 1 312 . 1 1 30 30 ASP HA H 1 4.50 0.05 . 1 . . . . 30 ASP HA . 16135 1 313 . 1 1 30 30 ASP HB2 H 1 2.84 0.05 . 2 . . . . 30 ASP HB1 . 16135 1 314 . 1 1 30 30 ASP HB3 H 1 2.84 0.05 . 2 . . . . 30 ASP HB2 . 16135 1 315 . 1 1 30 30 ASP C C 13 176.88 0.1 . 1 . . . . 30 ASP C . 16135 1 316 . 1 1 30 30 ASP CA C 13 55.29 0.1 . 1 . . . . 30 ASP CA . 16135 1 317 . 1 1 30 30 ASP CB C 13 40.53 0.1 . 1 . . . . 30 ASP CB . 16135 1 318 . 1 1 30 30 ASP N N 15 119.03 0.5 . 1 . . . . 30 ASP N . 16135 1 319 . 1 1 31 31 ASN H H 1 8.36 0.05 . 1 . . . . 31 ASN HN . 16135 1 320 . 1 1 31 31 ASN HA H 1 4.61 0.05 . 1 . . . . 31 ASN HA . 16135 1 321 . 1 1 31 31 ASN HB2 H 1 2.94 0.05 . 2 . . . . 31 ASN HB1 . 16135 1 322 . 1 1 31 31 ASN HB3 H 1 2.94 0.05 . 2 . . . . 31 ASN HB2 . 16135 1 323 . 1 1 31 31 ASN HD21 H 1 6.72 0.05 . 2 . . . . 31 ASN HD1 . 16135 1 324 . 1 1 31 31 ASN HD22 H 1 7.61 0.05 . 2 . . . . 31 ASN HD2 . 16135 1 325 . 1 1 31 31 ASN C C 13 176.41 0.1 . 1 . . . . 31 ASN C . 16135 1 326 . 1 1 31 31 ASN CA C 13 53.58 0.1 . 1 . . . . 31 ASN CA . 16135 1 327 . 1 1 31 31 ASN CB C 13 37.79 0.1 . 1 . . . . 31 ASN CB . 16135 1 328 . 1 1 31 31 ASN CG C 13 177.32 0.1 . 1 . . . . 31 ASN CG . 16135 1 329 . 1 1 31 31 ASN N N 15 115.51 0.5 . 1 . . . . 31 ASN N . 16135 1 330 . 1 1 31 31 ASN ND2 N 15 112.20 0.5 . 1 . . . . 31 ASN ND2 . 16135 1 331 . 1 1 32 32 LEU H H 1 7.90 0.05 . 1 . . . . 32 LEU HN . 16135 1 332 . 1 1 32 32 LEU HA H 1 4.45 0.05 . 9 . . . . 32 LEU HA . 16135 1 333 . 1 1 32 32 LEU HB2 H 1 2.03 0.05 . 9 . . . . 32 LEU HB1 . 16135 1 334 . 1 1 32 32 LEU HB3 H 1 2.03 0.05 . 9 . . . . 32 LEU HB2 . 16135 1 335 . 1 1 32 32 LEU HD21 H 1 0.87 0.05 . 2 . . . . 32 LEU HD21 . 16135 1 336 . 1 1 32 32 LEU HD22 H 1 0.87 0.05 . 2 . . . . 32 LEU HD22 . 16135 1 337 . 1 1 32 32 LEU HD23 H 1 0.87 0.05 . 2 . . . . 32 LEU HD23 . 16135 1 338 . 1 1 32 32 LEU C C 13 178.02 0.1 . 1 . . . . 32 LEU C . 16135 1 339 . 1 1 32 32 LEU CA C 13 55.02 0.1 . 1 . . . . 32 LEU CA . 16135 1 340 . 1 1 32 32 LEU CB C 13 42.70 0.1 . 1 . . . . 32 LEU CB . 16135 1 341 . 1 1 32 32 LEU N N 15 119.87 0.5 . 1 . . . . 32 LEU N . 16135 1 342 . 1 1 33 33 ASN HA H 1 4.78 0.05 . 1 . . . . 33 ASN HA . 16135 1 343 . 1 1 33 33 ASN HB2 H 1 3.08 0.05 . 2 . . . . 33 ASN HB1 . 16135 1 344 . 1 1 33 33 ASN HB3 H 1 2.97 0.05 . 2 . . . . 33 ASN HB2 . 16135 1 345 . 1 1 33 33 ASN HD21 H 1 6.92 0.05 . 2 . . . . 33 ASN HD1 . 16135 1 346 . 1 1 33 33 ASN HD22 H 1 7.60 0.05 . 2 . . . . 33 ASN HD2 . 16135 1 347 . 1 1 33 33 ASN C C 13 174.88 0.1 . 1 . . . . 33 ASN C . 16135 1 348 . 1 1 33 33 ASN CA C 13 53.16 0.1 . 1 . . . . 33 ASN CA . 16135 1 349 . 1 1 33 33 ASN CB C 13 38.00 0.1 . 1 . . . . 33 ASN CB . 16135 1 350 . 1 1 33 33 ASN CG C 13 176.92 0.1 . 1 . . . . 33 ASN CG . 16135 1 351 . 1 1 33 33 ASN ND2 N 15 111.80 0.5 . 1 . . . . 33 ASN ND2 . 16135 1 352 . 1 1 34 34 THR H H 1 7.19 0.05 . 1 . . . . 34 THR HN . 16135 1 353 . 1 1 34 34 THR HA H 1 5.18 0.05 . 1 . . . . 34 THR HA . 16135 1 354 . 1 1 34 34 THR HB H 1 4.08 0.05 . 1 . . . . 34 THR HB . 16135 1 355 . 1 1 34 34 THR HG21 H 1 0.94 0.05 . 1 . . . . 34 THR HG21 . 16135 1 356 . 1 1 34 34 THR HG22 H 1 0.94 0.05 . 1 . . . . 34 THR HG22 . 16135 1 357 . 1 1 34 34 THR HG23 H 1 0.94 0.05 . 1 . . . . 34 THR HG23 . 16135 1 358 . 1 1 34 34 THR C C 13 174.83 0.1 . 1 . . . . 34 THR C . 16135 1 359 . 1 1 34 34 THR CA C 13 58.88 0.1 . 1 . . . . 34 THR CA . 16135 1 360 . 1 1 34 34 THR CB C 13 72.36 0.1 . 1 . . . . 34 THR CB . 16135 1 361 . 1 1 34 34 THR CG2 C 13 21.29 0.1 . 1 . . . . 34 THR CG2 . 16135 1 362 . 1 1 34 34 THR N N 15 109.68 0.5 . 1 . . . . 34 THR N . 16135 1 363 . 1 1 35 35 ARG H H 1 9.06 0.05 . 1 . . . . 35 ARG HN . 16135 1 364 . 1 1 35 35 ARG HA H 1 4.41 0.05 . 1 . . . . 35 ARG HA . 16135 1 365 . 1 1 35 35 ARG HB2 H 1 1.48 0.05 . 9 . . . . 35 ARG HB1 . 16135 1 366 . 1 1 35 35 ARG HB3 H 1 1.48 0.05 . 9 . . . . 35 ARG HB2 . 16135 1 367 . 1 1 35 35 ARG C C 13 174.51 0.1 . 1 . . . . 35 ARG C . 16135 1 368 . 1 1 35 35 ARG CA C 13 52.91 0.1 . 1 . . . . 35 ARG CA . 16135 1 369 . 1 1 35 35 ARG CB C 13 32.92 0.1 . 1 . . . . 35 ARG CB . 16135 1 370 . 1 1 35 35 ARG CD C 13 46.66 0.1 . 1 . . . . 35 ARG CD . 16135 1 371 . 1 1 35 35 ARG N N 15 118.92 0.5 . 1 . . . . 35 ARG N . 16135 1 372 . 1 1 36 36 LEU H H 1 6.72 0.05 . 1 . . . . 36 LEU HN . 16135 1 373 . 1 1 36 36 LEU HA H 1 4.68 0.05 . 1 . . . . 36 LEU HA . 16135 1 374 . 1 1 36 36 LEU HB2 H 1 1.54 0.05 . 2 . . . . 36 LEU HB1 . 16135 1 375 . 1 1 36 36 LEU HB3 H 1 1.54 0.05 . 2 . . . . 36 LEU HB2 . 16135 1 376 . 1 1 36 36 LEU HD11 H 1 0.85 0.05 . 2 . . . . 36 LEU HD11 . 16135 1 377 . 1 1 36 36 LEU HD12 H 1 0.85 0.05 . 2 . . . . 36 LEU HD12 . 16135 1 378 . 1 1 36 36 LEU HD13 H 1 0.85 0.05 . 2 . . . . 36 LEU HD13 . 16135 1 379 . 1 1 36 36 LEU HG H 1 1.42 0.05 . 9 . . . . 36 LEU HG . 16135 1 380 . 1 1 36 36 LEU C C 13 174.69 0.1 . 1 . . . . 36 LEU C . 16135 1 381 . 1 1 36 36 LEU CA C 13 54.47 0.1 . 1 . . . . 36 LEU CA . 16135 1 382 . 1 1 36 36 LEU CB C 13 43.79 0.1 . 1 . . . . 36 LEU CB . 16135 1 383 . 1 1 36 36 LEU CD1 C 13 24.34 0.1 . 2 . . . . 36 LEU CD1 . 16135 1 384 . 1 1 36 36 LEU CD2 C 13 24.37 0.1 . 2 . . . . 36 LEU CD2 . 16135 1 385 . 1 1 36 36 LEU CG C 13 27.00 0.1 . 9 . . . . 36 LEU CG . 16135 1 386 . 1 1 36 36 LEU N N 15 123.68 0.5 . 1 . . . . 36 LEU N . 16135 1 387 . 1 1 37 37 VAL H H 1 8.88 0.05 . 1 . . . . 37 VAL HN . 16135 1 388 . 1 1 37 37 VAL HA H 1 5.79 0.05 . 1 . . . . 37 VAL HA . 16135 1 389 . 1 1 37 37 VAL HB H 1 1.86 0.05 . 1 . . . . 37 VAL HB . 16135 1 390 . 1 1 37 37 VAL HG11 H 1 0.61 0.05 . 2 . . . . 37 VAL HG11 . 16135 1 391 . 1 1 37 37 VAL HG12 H 1 0.61 0.05 . 2 . . . . 37 VAL HG12 . 16135 1 392 . 1 1 37 37 VAL HG13 H 1 0.61 0.05 . 2 . . . . 37 VAL HG13 . 16135 1 393 . 1 1 37 37 VAL HG21 H 1 0.40 0.05 . 2 . . . . 37 VAL HG21 . 16135 1 394 . 1 1 37 37 VAL HG22 H 1 0.40 0.05 . 2 . . . . 37 VAL HG22 . 16135 1 395 . 1 1 37 37 VAL HG23 H 1 0.40 0.05 . 2 . . . . 37 VAL HG23 . 16135 1 396 . 1 1 37 37 VAL C C 13 174.83 0.1 . 1 . . . . 37 VAL C . 16135 1 397 . 1 1 37 37 VAL CA C 13 57.22 0.1 . 1 . . . . 37 VAL CA . 16135 1 398 . 1 1 37 37 VAL CB C 13 36.81 0.1 . 1 . . . . 37 VAL CB . 16135 1 399 . 1 1 37 37 VAL CG1 C 13 21.47 0.1 . 2 . . . . 37 VAL CG1 . 16135 1 400 . 1 1 37 37 VAL CG2 C 13 18.87 0.1 . 2 . . . . 37 VAL CG2 . 16135 1 401 . 1 1 37 37 VAL N N 15 116.20 0.5 . 1 . . . . 37 VAL N . 16135 1 402 . 1 1 38 38 ILE H H 1 8.63 0.05 . 1 . . . . 38 ILE HN . 16135 1 403 . 1 1 38 38 ILE C C 13 174.69 0.1 . 1 . . . . 38 ILE C . 16135 1 404 . 1 1 38 38 ILE CA C 13 57.92 0.1 . 1 . . . . 38 ILE CA . 16135 1 405 . 1 1 38 38 ILE N N 15 117.43 0.5 . 1 . . . . 38 ILE N . 16135 1 406 . 1 1 39 39 PRO HA H 1 5.01 0.05 . 1 . . . . 39 PRO HA . 16135 1 407 . 1 1 39 39 PRO HB2 H 1 1.83 0.05 . 2 . . . . 39 PRO HB1 . 16135 1 408 . 1 1 39 39 PRO HB3 H 1 1.83 0.05 . 2 . . . . 39 PRO HB2 . 16135 1 409 . 1 1 39 39 PRO HG2 H 1 1.64 0.05 . 2 . . . . 39 PRO HG2 . 16135 1 410 . 1 1 39 39 PRO C C 13 174.79 0.1 . 1 . . . . 39 PRO C . 16135 1 411 . 1 1 39 39 PRO CA C 13 62.48 0.1 . 1 . . . . 39 PRO CA . 16135 1 412 . 1 1 39 39 PRO CB C 13 33.04 0.1 . 1 . . . . 39 PRO CB . 16135 1 413 . 1 1 39 39 PRO CD C 13 51.56 0.1 . 1 . . . . 39 PRO CD . 16135 1 414 . 1 1 39 39 PRO CG C 13 27.28 0.1 . 1 . . . . 39 PRO CG . 16135 1 415 . 1 1 40 40 LEU H H 1 8.15 0.05 . 1 . . . . 40 LEU HN . 16135 1 416 . 1 1 40 40 LEU HA H 1 5.32 0.05 . 1 . . . . 40 LEU HA . 16135 1 417 . 1 1 40 40 LEU HB2 H 1 1.42 0.05 . 2 . . . . 40 LEU HB1 . 16135 1 418 . 1 1 40 40 LEU HB3 H 1 1.42 0.05 . 2 . . . . 40 LEU HB2 . 16135 1 419 . 1 1 40 40 LEU HD11 H 1 0.49 0.05 . 2 . . . . 40 LEU HD11 . 16135 1 420 . 1 1 40 40 LEU HD12 H 1 0.49 0.05 . 2 . . . . 40 LEU HD12 . 16135 1 421 . 1 1 40 40 LEU HD13 H 1 0.49 0.05 . 2 . . . . 40 LEU HD13 . 16135 1 422 . 1 1 40 40 LEU HG H 1 1.43 0.05 . 1 . . . . 40 LEU HG . 16135 1 423 . 1 1 40 40 LEU C C 13 175.59 0.1 . 1 . . . . 40 LEU C . 16135 1 424 . 1 1 40 40 LEU CA C 13 53.79 0.1 . 1 . . . . 40 LEU CA . 16135 1 425 . 1 1 40 40 LEU CB C 13 44.45 0.1 . 1 . . . . 40 LEU CB . 16135 1 426 . 1 1 40 40 LEU CD1 C 13 25.55 0.1 . 2 . . . . 40 LEU CD1 . 16135 1 427 . 1 1 40 40 LEU CD2 C 13 25.61 0.1 . 2 . . . . 40 LEU CD2 . 16135 1 428 . 1 1 40 40 LEU CG C 13 29.47 0.1 . 1 . . . . 40 LEU CG . 16135 1 429 . 1 1 40 40 LEU N N 15 119.88 0.5 . 1 . . . . 40 LEU N . 16135 1 430 . 1 1 41 41 THR H H 1 8.60 0.05 . 1 . . . . 41 THR HN . 16135 1 431 . 1 1 41 41 THR HA H 1 5.89 0.05 . 1 . . . . 41 THR HA . 16135 1 432 . 1 1 41 41 THR HB H 1 4.10 0.05 . 1 . . . . 41 THR HB . 16135 1 433 . 1 1 41 41 THR HG21 H 1 1.33 0.05 . 1 . . . . 41 THR HG21 . 16135 1 434 . 1 1 41 41 THR HG22 H 1 1.33 0.05 . 1 . . . . 41 THR HG22 . 16135 1 435 . 1 1 41 41 THR HG23 H 1 1.33 0.05 . 1 . . . . 41 THR HG23 . 16135 1 436 . 1 1 41 41 THR C C 13 171.87 0.1 . 1 . . . . 41 THR C . 16135 1 437 . 1 1 41 41 THR CA C 13 57.64 0.1 . 1 . . . . 41 THR CA . 16135 1 438 . 1 1 41 41 THR CB C 13 74.94 0.1 . 1 . . . . 41 THR CB . 16135 1 439 . 1 1 41 41 THR CG2 C 13 15.70 0.1 . 1 . . . . 41 THR CG2 . 16135 1 440 . 1 1 41 41 THR N N 15 113.36 0.5 . 1 . . . . 41 THR N . 16135 1 441 . 1 1 42 42 PRO HA H 1 4.38 0.05 . 1 . . . . 42 PRO HA . 16135 1 442 . 1 1 42 42 PRO HB2 H 1 2.55 0.05 . 2 . . . . 42 PRO HB1 . 16135 1 443 . 1 1 42 42 PRO HB3 H 1 2.55 0.05 . 2 . . . . 42 PRO HB2 . 16135 1 444 . 1 1 42 42 PRO HG2 H 1 2.03 0.05 . 2 . . . . 42 PRO HG2 . 16135 1 445 . 1 1 42 42 PRO C C 13 177.70 0.1 . 1 . . . . 42 PRO C . 16135 1 446 . 1 1 42 42 PRO CA C 13 63.39 0.1 . 1 . . . . 42 PRO CA . 16135 1 447 . 1 1 42 42 PRO CB C 13 32.60 0.1 . 1 . . . . 42 PRO CB . 16135 1 448 . 1 1 42 42 PRO CG C 13 28.63 0.1 . 1 . . . . 42 PRO CG . 16135 1 449 . 1 1 43 43 ILE H H 1 7.66 0.05 . 1 . . . . 43 ILE HN . 16135 1 450 . 1 1 43 43 ILE HA H 1 3.85 0.05 . 1 . . . . 43 ILE HA . 16135 1 451 . 1 1 43 43 ILE HB H 1 1.48 0.05 . 1 . . . . 43 ILE HB . 16135 1 452 . 1 1 43 43 ILE HD11 H 1 0.87 0.05 . 1 . . . . 43 ILE HD11 . 16135 1 453 . 1 1 43 43 ILE HD12 H 1 0.87 0.05 . 1 . . . . 43 ILE HD12 . 16135 1 454 . 1 1 43 43 ILE HD13 H 1 0.87 0.05 . 1 . . . . 43 ILE HD13 . 16135 1 455 . 1 1 43 43 ILE HG12 H 1 1.44 0.05 . 2 . . . . 43 ILE HG11 . 16135 1 456 . 1 1 43 43 ILE HG13 H 1 1.44 0.05 . 2 . . . . 43 ILE HG12 . 16135 1 457 . 1 1 43 43 ILE HG21 H 1 0.90 0.05 . 1 . . . . 43 ILE HG21 . 16135 1 458 . 1 1 43 43 ILE HG22 H 1 0.90 0.05 . 1 . . . . 43 ILE HG22 . 16135 1 459 . 1 1 43 43 ILE HG23 H 1 0.90 0.05 . 1 . . . . 43 ILE HG23 . 16135 1 460 . 1 1 43 43 ILE C C 13 176.95 0.1 . 1 . . . . 43 ILE C . 16135 1 461 . 1 1 43 43 ILE CA C 13 64.69 0.1 . 1 . . . . 43 ILE CA . 16135 1 462 . 1 1 43 43 ILE CB C 13 38.86 0.1 . 1 . . . . 43 ILE CB . 16135 1 463 . 1 1 43 43 ILE CD1 C 13 14.67 0.1 . 1 . . . . 43 ILE CD1 . 16135 1 464 . 1 1 43 43 ILE CG1 C 13 29.05 0.1 . 1 . . . . 43 ILE CG1 . 16135 1 465 . 1 1 43 43 ILE CG2 C 13 17.07 0.1 . 1 . . . . 43 ILE CG2 . 16135 1 466 . 1 1 43 43 ILE N N 15 121.78 0.5 . 1 . . . . 43 ILE N . 16135 1 467 . 1 1 44 44 GLU H H 1 9.15 0.05 . 1 . . . . 44 GLU HN . 16135 1 468 . 1 1 44 44 GLU HA H 1 4.20 0.05 . 1 . . . . 44 GLU HA . 16135 1 469 . 1 1 44 44 GLU HB2 H 1 2.06 0.05 . 2 . . . . 44 GLU HB1 . 16135 1 470 . 1 1 44 44 GLU HB3 H 1 2.06 0.05 . 2 . . . . 44 GLU HB2 . 16135 1 471 . 1 1 44 44 GLU HG2 H 1 2.28 0.05 . 2 . . . . 44 GLU HG2 . 16135 1 472 . 1 1 44 44 GLU C C 13 177.16 0.1 . 1 . . . . 44 GLU C . 16135 1 473 . 1 1 44 44 GLU CA C 13 58.42 0.1 . 1 . . . . 44 GLU CA . 16135 1 474 . 1 1 44 44 GLU CB C 13 28.72 0.1 . 1 . . . . 44 GLU CB . 16135 1 475 . 1 1 44 44 GLU CG C 13 36.26 0.1 . 1 . . . . 44 GLU CG . 16135 1 476 . 1 1 44 44 GLU N N 15 119.81 0.5 . 1 . . . . 44 GLU N . 16135 1 477 . 1 1 45 45 LEU H H 1 7.85 0.05 . 1 . . . . 45 LEU HN . 16135 1 478 . 1 1 45 45 LEU HA H 1 4.44 0.05 . 1 . . . . 45 LEU HA . 16135 1 479 . 1 1 45 45 LEU HB2 H 1 1.88 0.05 . 2 . . . . 45 LEU HB1 . 16135 1 480 . 1 1 45 45 LEU HB3 H 1 1.88 0.05 . 2 . . . . 45 LEU HB2 . 16135 1 481 . 1 1 45 45 LEU HD11 H 1 0.86 0.05 . 2 . . . . 45 LEU HD11 . 16135 1 482 . 1 1 45 45 LEU HD12 H 1 0.86 0.05 . 2 . . . . 45 LEU HD12 . 16135 1 483 . 1 1 45 45 LEU HD13 H 1 0.86 0.05 . 2 . . . . 45 LEU HD13 . 16135 1 484 . 1 1 45 45 LEU HG H 1 1.05 0.05 . 1 . . . . 45 LEU HG . 16135 1 485 . 1 1 45 45 LEU C C 13 177.16 0.1 . 1 . . . . 45 LEU C . 16135 1 486 . 1 1 45 45 LEU CA C 13 51.06 0.1 . 1 . . . . 45 LEU CA . 16135 1 487 . 1 1 45 45 LEU CB C 13 41.03 0.1 . 1 . . . . 45 LEU CB . 16135 1 488 . 1 1 45 45 LEU CD1 C 13 22.54 0.1 . 2 . . . . 45 LEU CD1 . 16135 1 489 . 1 1 45 45 LEU CD2 C 13 22.53 0.1 . 2 . . . . 45 LEU CD2 . 16135 1 490 . 1 1 45 45 LEU CG C 13 25.56 0.1 . 1 . . . . 45 LEU CG . 16135 1 491 . 1 1 45 45 LEU N N 15 118.03 0.5 . 1 . . . . 45 LEU N . 16135 1 492 . 1 1 46 46 LEU H H 1 7.32 0.05 . 1 . . . . 46 LEU HN . 16135 1 493 . 1 1 46 46 LEU HA H 1 4.30 0.05 . 1 . . . . 46 LEU HA . 16135 1 494 . 1 1 46 46 LEU HB2 H 1 1.62 0.05 . 2 . . . . 46 LEU HB1 . 16135 1 495 . 1 1 46 46 LEU HB3 H 1 1.75 0.05 . 2 . . . . 46 LEU HB2 . 16135 1 496 . 1 1 46 46 LEU HD11 H 1 0.97 0.05 . 2 . . . . 46 LEU HD11 . 16135 1 497 . 1 1 46 46 LEU HD12 H 1 0.97 0.05 . 2 . . . . 46 LEU HD12 . 16135 1 498 . 1 1 46 46 LEU HD13 H 1 0.97 0.05 . 2 . . . . 46 LEU HD13 . 16135 1 499 . 1 1 46 46 LEU C C 13 176.27 0.1 . 1 . . . . 46 LEU C . 16135 1 500 . 1 1 46 46 LEU CA C 13 55.65 0.1 . 1 . . . . 46 LEU CA . 16135 1 501 . 1 1 46 46 LEU CB C 13 42.85 0.1 . 1 . . . . 46 LEU CB . 16135 1 502 . 1 1 46 46 LEU CD1 C 13 25.01 0.1 . 2 . . . . 46 LEU CD1 . 16135 1 503 . 1 1 46 46 LEU CD2 C 13 24.99 0.1 . 2 . . . . 46 LEU CD2 . 16135 1 504 . 1 1 46 46 LEU N N 15 121.65 0.5 . 1 . . . . 46 LEU N . 16135 1 505 . 1 1 47 47 ASP H H 1 8.51 0.05 . 1 . . . . 47 ASP HN . 16135 1 506 . 1 1 47 47 ASP HA H 1 4.61 0.05 . 1 . . . . 47 ASP HA . 16135 1 507 . 1 1 47 47 ASP HB2 H 1 2.74 0.05 . 2 . . . . 47 ASP HB1 . 16135 1 508 . 1 1 47 47 ASP HB3 H 1 2.74 0.05 . 2 . . . . 47 ASP HB2 . 16135 1 509 . 1 1 47 47 ASP C C 13 176.21 0.1 . 1 . . . . 47 ASP C . 16135 1 510 . 1 1 47 47 ASP CA C 13 54.16 0.1 . 1 . . . . 47 ASP CA . 16135 1 511 . 1 1 47 47 ASP CB C 13 41.03 0.1 . 1 . . . . 47 ASP CB . 16135 1 512 . 1 1 47 47 ASP N N 15 124.07 0.5 . 1 . . . . 47 ASP N . 16135 1 513 . 1 1 48 48 LYS H H 1 7.94 0.05 . 1 . . . . 48 LYS HN . 16135 1 514 . 1 1 48 48 LYS HA H 1 4.30 0.05 . 1 . . . . 48 LYS HA . 16135 1 515 . 1 1 48 48 LYS HB2 H 1 1.73 0.05 . 2 . . . . 48 LYS HB1 . 16135 1 516 . 1 1 48 48 LYS HB3 H 1 1.73 0.05 . 2 . . . . 48 LYS HB2 . 16135 1 517 . 1 1 48 48 LYS HD2 H 1 1.71 0.05 . 2 . . . . 48 LYS HD1 . 16135 1 518 . 1 1 48 48 LYS HD3 H 1 1.71 0.05 . 2 . . . . 48 LYS HD2 . 16135 1 519 . 1 1 48 48 LYS HE2 H 1 3.04 0.05 . 2 . . . . 48 LYS HE1 . 16135 1 520 . 1 1 48 48 LYS HE3 H 1 3.04 0.05 . 2 . . . . 48 LYS HE2 . 16135 1 521 . 1 1 48 48 LYS HG2 H 1 1.45 0.05 . 2 . . . . 48 LYS HG2 . 16135 1 522 . 1 1 48 48 LYS C C 13 175.98 0.1 . 1 . . . . 48 LYS C . 16135 1 523 . 1 1 48 48 LYS CA C 13 55.13 0.1 . 1 . . . . 48 LYS CA . 16135 1 524 . 1 1 48 48 LYS CB C 13 33.03 0.1 . 1 . . . . 48 LYS CB . 16135 1 525 . 1 1 48 48 LYS CD C 13 28.81 0.1 . 1 . . . . 48 LYS CD . 16135 1 526 . 1 1 48 48 LYS CE C 13 41.81 0.1 . 1 . . . . 48 LYS CE . 16135 1 527 . 1 1 48 48 LYS CG C 13 24.85 0.1 . 1 . . . . 48 LYS CG . 16135 1 528 . 1 1 48 48 LYS N N 15 120.51 0.5 . 1 . . . . 48 LYS N . 16135 1 529 . 1 1 49 49 LYS H H 1 8.36 0.05 . 1 . . . . 49 LYS HN . 16135 1 530 . 1 1 49 49 LYS HA H 1 4.23 0.05 . 1 . . . . 49 LYS HA . 16135 1 531 . 1 1 49 49 LYS HB2 H 1 1.75 0.05 . 2 . . . . 49 LYS HB1 . 16135 1 532 . 1 1 49 49 LYS HB3 H 1 1.75 0.05 . 2 . . . . 49 LYS HB2 . 16135 1 533 . 1 1 49 49 LYS HD2 H 1 1.70 0.05 . 2 . . . . 49 LYS HD1 . 16135 1 534 . 1 1 49 49 LYS HD3 H 1 1.70 0.05 . 2 . . . . 49 LYS HD2 . 16135 1 535 . 1 1 49 49 LYS HE2 H 1 3.00 0.05 . 2 . . . . 49 LYS HE1 . 16135 1 536 . 1 1 49 49 LYS HE3 H 1 3.00 0.05 . 2 . . . . 49 LYS HE2 . 16135 1 537 . 1 1 49 49 LYS HG2 H 1 1.44 0.05 . 2 . . . . 49 LYS HG2 . 16135 1 538 . 1 1 49 49 LYS C C 13 176.31 0.1 . 1 . . . . 49 LYS C . 16135 1 539 . 1 1 49 49 LYS CA C 13 56.84 0.1 . 1 . . . . 49 LYS CA . 16135 1 540 . 1 1 49 49 LYS CB C 13 32.79 0.1 . 1 . . . . 49 LYS CB . 16135 1 541 . 1 1 49 49 LYS CD C 13 29.01 0.1 . 1 . . . . 49 LYS CD . 16135 1 542 . 1 1 49 49 LYS CE C 13 41.92 0.1 . 1 . . . . 49 LYS CE . 16135 1 543 . 1 1 49 49 LYS CG C 13 24.95 0.1 . 1 . . . . 49 LYS CG . 16135 1 544 . 1 1 49 49 LYS N N 15 121.00 0.5 . 1 . . . . 49 LYS N . 16135 1 545 . 1 1 50 50 ALA H H 1 8.19 0.05 . 1 . . . . 50 ALA HN . 16135 1 546 . 1 1 50 50 ALA HA H 1 4.68 0.05 . 1 . . . . 50 ALA HA . 16135 1 547 . 1 1 50 50 ALA HB1 H 1 1.42 0.05 . 1 . . . . 50 ALA HB1 . 16135 1 548 . 1 1 50 50 ALA HB2 H 1 1.42 0.05 . 1 . . . . 50 ALA HB2 . 16135 1 549 . 1 1 50 50 ALA HB3 H 1 1.42 0.05 . 1 . . . . 50 ALA HB3 . 16135 1 550 . 1 1 50 50 ALA C C 13 174.98 0.1 . 1 . . . . 50 ALA C . 16135 1 551 . 1 1 50 50 ALA CA C 13 49.82 0.1 . 1 . . . . 50 ALA CA . 16135 1 552 . 1 1 50 50 ALA CB C 13 18.85 0.1 . 1 . . . . 50 ALA CB . 16135 1 553 . 1 1 50 50 ALA N N 15 126.41 0.5 . 1 . . . . 50 ALA N . 16135 1 554 . 1 1 51 51 PRO C C 13 178.07 0.1 . 9 . . . . 51 PRO C . 16135 1 555 . 1 1 51 51 PRO CA C 13 62.92 0.1 . 9 . . . . 51 PRO CA . 16135 1 556 . 1 1 51 51 PRO CB C 13 31.81 0.1 . 9 . . . . 51 PRO CB . 16135 1 557 . 1 1 51 51 PRO CD C 13 50.49 0.1 . 9 . . . . 51 PRO CD . 16135 1 558 . 1 1 51 51 PRO CG C 13 27.93 0.1 . 9 . . . . 51 PRO CG . 16135 1 559 . 1 1 52 52 SER H H 1 8.72 0.05 . 9 . . . . 52 SER HN . 16135 1 560 . 1 1 52 52 SER CA C 13 60.63 0.1 . 9 . . . . 52 SER CA . 16135 1 561 . 1 1 52 52 SER N N 15 121.31 0.5 . 9 . . . . 52 SER N . 16135 1 562 . 1 1 53 53 HIS HA H 1 4.20 0.05 . 1 . . . . 53 HIS HA . 16135 1 563 . 1 1 53 53 HIS HB2 H 1 2.49 0.05 . 9 . . . . 53 HIS HB1 . 16135 1 564 . 1 1 53 53 HIS HB3 H 1 2.65 0.05 . 9 . . . . 53 HIS HB2 . 16135 1 565 . 1 1 53 53 HIS HD2 H 1 6.29 0.05 . 1 . . . . 53 HIS HD2 . 16135 1 566 . 1 1 53 53 HIS HE1 H 1 8.10 0.05 . 1 . . . . 53 HIS HE1 . 16135 1 567 . 1 1 53 53 HIS C C 13 175.02 0.1 . 1 . . . . 53 HIS C . 16135 1 568 . 1 1 53 53 HIS CA C 13 57.02 0.1 . 1 . . . . 53 HIS CA . 16135 1 569 . 1 1 53 53 HIS CB C 13 28.65 0.1 . 1 . . . . 53 HIS CB . 16135 1 570 . 1 1 53 53 HIS CD2 C 13 118.35 0.1 . 1 . . . . 53 HIS CD2 . 16135 1 571 . 1 1 53 53 HIS CE1 C 13 137.20 0.1 . 1 . . . . 53 HIS CE1 . 16135 1 572 . 1 1 54 54 LEU H H 1 7.13 0.05 . 1 . . . . 54 LEU HN . 16135 1 573 . 1 1 54 54 LEU HA H 1 4.56 0.05 . 1 . . . . 54 LEU HA . 16135 1 574 . 1 1 54 54 LEU HB2 H 1 2.19 0.05 . 2 . . . . 54 LEU HB1 . 16135 1 575 . 1 1 54 54 LEU HB3 H 1 2.19 0.05 . 2 . . . . 54 LEU HB2 . 16135 1 576 . 1 1 54 54 LEU HD11 H 1 1.10 0.05 . 9 . . . . 54 LEU HD11 . 16135 1 577 . 1 1 54 54 LEU HD12 H 1 1.10 0.05 . 9 . . . . 54 LEU HD12 . 16135 1 578 . 1 1 54 54 LEU HD13 H 1 1.10 0.05 . 9 . . . . 54 LEU HD13 . 16135 1 579 . 1 1 54 54 LEU HG H 1 1.53 0.05 . 9 . . . . 54 LEU HG . 16135 1 580 . 1 1 54 54 LEU C C 13 175.33 0.1 . 1 . . . . 54 LEU C . 16135 1 581 . 1 1 54 54 LEU CA C 13 55.90 0.1 . 1 . . . . 54 LEU CA . 16135 1 582 . 1 1 54 54 LEU CB C 13 43.97 0.1 . 1 . . . . 54 LEU CB . 16135 1 583 . 1 1 54 54 LEU CD1 C 13 24.78 0.1 . 9 . . . . 54 LEU CD1 . 16135 1 584 . 1 1 54 54 LEU CD2 C 13 24.78 0.1 . 9 . . . . 54 LEU CD2 . 16135 1 585 . 1 1 54 54 LEU CG C 13 26.77 0.1 . 9 . . . . 54 LEU CG . 16135 1 586 . 1 1 54 54 LEU N N 15 115.57 0.5 . 1 . . . . 54 LEU N . 16135 1 587 . 1 1 55 55 CYS H H 1 7.59 0.05 . 1 . . . . 55 CYS HN . 16135 1 588 . 1 1 55 55 CYS C C 13 171.27 0.1 . 1 . . . . 55 CYS C . 16135 1 589 . 1 1 55 55 CYS CA C 13 55.18 0.1 . 1 . . . . 55 CYS CA . 16135 1 590 . 1 1 55 55 CYS CB C 13 29.93 0.1 . 1 . . . . 55 CYS CB . 16135 1 591 . 1 1 55 55 CYS N N 15 113.92 0.5 . 1 . . . . 55 CYS N . 16135 1 592 . 1 1 56 56 PRO HA H 1 4.44 0.05 . 1 . . . . 56 PRO HA . 16135 1 593 . 1 1 56 56 PRO HB2 H 1 2.40 0.05 . 9 . . . . 56 PRO HB1 . 16135 1 594 . 1 1 56 56 PRO HB3 H 1 2.40 0.05 . 9 . . . . 56 PRO HB2 . 16135 1 595 . 1 1 56 56 PRO HD2 H 1 3.57 0.05 . 2 . . . . 56 PRO HD1 . 16135 1 596 . 1 1 56 56 PRO HD3 H 1 3.98 0.05 . 2 . . . . 56 PRO HD2 . 16135 1 597 . 1 1 56 56 PRO HG2 H 1 1.90 0.05 . 2 . . . . 56 PRO HG2 . 16135 1 598 . 1 1 56 56 PRO C C 13 175.26 0.1 . 1 . . . . 56 PRO C . 16135 1 599 . 1 1 56 56 PRO CA C 13 63.22 0.1 . 1 . . . . 56 PRO CA . 16135 1 600 . 1 1 56 56 PRO CB C 13 32.23 0.1 . 1 . . . . 56 PRO CB . 16135 1 601 . 1 1 56 56 PRO CD C 13 50.46 0.1 . 1 . . . . 56 PRO CD . 16135 1 602 . 1 1 56 56 PRO CG C 13 27.23 0.1 . 1 . . . . 56 PRO CG . 16135 1 603 . 1 1 57 57 THR H H 1 8.22 0.05 . 1 . . . . 57 THR HN . 16135 1 604 . 1 1 57 57 THR HA H 1 4.80 0.05 . 1 . . . . 57 THR HA . 16135 1 605 . 1 1 57 57 THR HB H 1 4.00 0.05 . 1 . . . . 57 THR HB . 16135 1 606 . 1 1 57 57 THR HG21 H 1 1.02 0.05 . 1 . . . . 57 THR HG21 . 16135 1 607 . 1 1 57 57 THR HG22 H 1 1.02 0.05 . 1 . . . . 57 THR HG22 . 16135 1 608 . 1 1 57 57 THR HG23 H 1 1.02 0.05 . 1 . . . . 57 THR HG23 . 16135 1 609 . 1 1 57 57 THR C C 13 173.98 0.1 . 1 . . . . 57 THR C . 16135 1 610 . 1 1 57 57 THR CA C 13 61.97 0.1 . 1 . . . . 57 THR CA . 16135 1 611 . 1 1 57 57 THR CB C 13 69.35 0.1 . 1 . . . . 57 THR CB . 16135 1 612 . 1 1 57 57 THR CG2 C 13 21.74 0.1 . 1 . . . . 57 THR CG2 . 16135 1 613 . 1 1 57 57 THR N N 15 116.57 0.5 . 1 . . . . 57 THR N . 16135 1 614 . 1 1 58 58 ILE H H 1 9.26 0.05 . 1 . . . . 58 ILE HN . 16135 1 615 . 1 1 58 58 ILE HA H 1 3.98 0.05 . 1 . . . . 58 ILE HA . 16135 1 616 . 1 1 58 58 ILE HB H 1 1.55 0.05 . 1 . . . . 58 ILE HB . 16135 1 617 . 1 1 58 58 ILE HD11 H 1 0.31 0.05 . 1 . . . . 58 ILE HD11 . 16135 1 618 . 1 1 58 58 ILE HD12 H 1 0.31 0.05 . 1 . . . . 58 ILE HD12 . 16135 1 619 . 1 1 58 58 ILE HD13 H 1 0.31 0.05 . 1 . . . . 58 ILE HD13 . 16135 1 620 . 1 1 58 58 ILE HG12 H 1 1.08 0.05 . 2 . . . . 58 ILE HG11 . 16135 1 621 . 1 1 58 58 ILE HG13 H 1 1.08 0.05 . 2 . . . . 58 ILE HG12 . 16135 1 622 . 1 1 58 58 ILE HG21 H 1 0.34 0.05 . 1 . . . . 58 ILE HG21 . 16135 1 623 . 1 1 58 58 ILE HG22 H 1 0.34 0.05 . 1 . . . . 58 ILE HG22 . 16135 1 624 . 1 1 58 58 ILE HG23 H 1 0.34 0.05 . 1 . . . . 58 ILE HG23 . 16135 1 625 . 1 1 58 58 ILE C C 13 173.65 0.1 . 1 . . . . 58 ILE C . 16135 1 626 . 1 1 58 58 ILE CA C 13 58.13 0.1 . 1 . . . . 58 ILE CA . 16135 1 627 . 1 1 58 58 ILE CB C 13 39.81 0.1 . 1 . . . . 58 ILE CB . 16135 1 628 . 1 1 58 58 ILE CD1 C 13 11.00 0.1 . 1 . . . . 58 ILE CD1 . 16135 1 629 . 1 1 58 58 ILE CG1 C 13 25.24 0.1 . 1 . . . . 58 ILE CG1 . 16135 1 630 . 1 1 58 58 ILE CG2 C 13 19.13 0.1 . 1 . . . . 58 ILE CG2 . 16135 1 631 . 1 1 58 58 ILE N N 15 125.58 0.5 . 1 . . . . 58 ILE N . 16135 1 632 . 1 1 59 59 HIS H H 1 7.74 0.05 . 1 . . . . 59 HIS HN . 16135 1 633 . 1 1 59 59 HIS HA H 1 5.34 0.05 . 1 . . . . 59 HIS HA . 16135 1 634 . 1 1 59 59 HIS HB2 H 1 3.19 0.05 . 2 . . . . 59 HIS HB1 . 16135 1 635 . 1 1 59 59 HIS HB3 H 1 3.29 0.05 . 2 . . . . 59 HIS HB2 . 16135 1 636 . 1 1 59 59 HIS HD2 H 1 7.22 0.05 . 1 . . . . 59 HIS HD2 . 16135 1 637 . 1 1 59 59 HIS HE1 H 1 8.52 0.05 . 1 . . . . 59 HIS HE1 . 16135 1 638 . 1 1 59 59 HIS C C 13 173.49 0.1 . 1 . . . . 59 HIS C . 16135 1 639 . 1 1 59 59 HIS CA C 13 54.65 0.1 . 1 . . . . 59 HIS CA . 16135 1 640 . 1 1 59 59 HIS CB C 13 29.30 0.1 . 1 . . . . 59 HIS CB . 16135 1 641 . 1 1 59 59 HIS CD2 C 13 120.55 0.1 . 1 . . . . 59 HIS CD2 . 16135 1 642 . 1 1 59 59 HIS CE1 C 13 136.04 0.1 . 1 . . . . 59 HIS CE1 . 16135 1 643 . 1 1 59 59 HIS N N 15 125.31 0.5 . 1 . . . . 59 HIS N . 16135 1 644 . 1 1 60 60 ILE H H 1 8.42 0.05 . 1 . . . . 60 ILE HN . 16135 1 645 . 1 1 60 60 ILE HA H 1 4.74 0.05 . 1 . . . . 60 ILE HA . 16135 1 646 . 1 1 60 60 ILE HB H 1 2.11 0.05 . 1 . . . . 60 ILE HB . 16135 1 647 . 1 1 60 60 ILE HD11 H 1 0.31 0.05 . 1 . . . . 60 ILE HD11 . 16135 1 648 . 1 1 60 60 ILE HD12 H 1 0.31 0.05 . 1 . . . . 60 ILE HD12 . 16135 1 649 . 1 1 60 60 ILE HD13 H 1 0.31 0.05 . 1 . . . . 60 ILE HD13 . 16135 1 650 . 1 1 60 60 ILE HG12 H 1 1.25 0.05 . 2 . . . . 60 ILE HG11 . 16135 1 651 . 1 1 60 60 ILE HG13 H 1 1.25 0.05 . 2 . . . . 60 ILE HG12 . 16135 1 652 . 1 1 60 60 ILE HG21 H 1 0.78 0.05 . 1 . . . . 60 ILE HG21 . 16135 1 653 . 1 1 60 60 ILE HG22 H 1 0.78 0.05 . 1 . . . . 60 ILE HG22 . 16135 1 654 . 1 1 60 60 ILE HG23 H 1 0.78 0.05 . 1 . . . . 60 ILE HG23 . 16135 1 655 . 1 1 60 60 ILE C C 13 176.63 0.1 . 1 . . . . 60 ILE C . 16135 1 656 . 1 1 60 60 ILE CA C 13 59.25 0.1 . 1 . . . . 60 ILE CA . 16135 1 657 . 1 1 60 60 ILE CB C 13 42.40 0.1 . 1 . . . . 60 ILE CB . 16135 1 658 . 1 1 60 60 ILE CD1 C 13 13.27 0.1 . 1 . . . . 60 ILE CD1 . 16135 1 659 . 1 1 60 60 ILE CG1 C 13 25.92 0.1 . 1 . . . . 60 ILE CG1 . 16135 1 660 . 1 1 60 60 ILE CG2 C 13 18.14 0.1 . 1 . . . . 60 ILE CG2 . 16135 1 661 . 1 1 60 60 ILE N N 15 120.43 0.5 . 1 . . . . 60 ILE N . 16135 1 662 . 1 1 61 61 ASP H H 1 8.67 0.05 . 1 . . . . 61 ASP HN . 16135 1 663 . 1 1 61 61 ASP HA H 1 4.17 0.05 . 1 . . . . 61 ASP HA . 16135 1 664 . 1 1 61 61 ASP HB2 H 1 2.60 0.05 . 2 . . . . 61 ASP HB1 . 16135 1 665 . 1 1 61 61 ASP HB3 H 1 2.60 0.05 . 2 . . . . 61 ASP HB2 . 16135 1 666 . 1 1 61 61 ASP C C 13 178.02 0.1 . 1 . . . . 61 ASP C . 16135 1 667 . 1 1 61 61 ASP CA C 13 58.07 0.1 . 1 . . . . 61 ASP CA . 16135 1 668 . 1 1 61 61 ASP CB C 13 39.77 0.1 . 1 . . . . 61 ASP CB . 16135 1 669 . 1 1 61 61 ASP N N 15 122.68 0.5 . 1 . . . . 61 ASP N . 16135 1 670 . 1 1 62 62 GLU H H 1 8.91 0.05 . 1 . . . . 62 GLU HN . 16135 1 671 . 1 1 62 62 GLU HA H 1 4.10 0.05 . 1 . . . . 62 GLU HA . 16135 1 672 . 1 1 62 62 GLU HB2 H 1 2.04 0.05 . 2 . . . . 62 GLU HB1 . 16135 1 673 . 1 1 62 62 GLU HB3 H 1 2.04 0.05 . 2 . . . . 62 GLU HB2 . 16135 1 674 . 1 1 62 62 GLU HG2 H 1 2.19 0.05 . 2 . . . . 62 GLU HG2 . 16135 1 675 . 1 1 62 62 GLU C C 13 176.04 0.1 . 1 . . . . 62 GLU C . 16135 1 676 . 1 1 62 62 GLU CA C 13 59.00 0.1 . 1 . . . . 62 GLU CA . 16135 1 677 . 1 1 62 62 GLU CB C 13 28.87 0.1 . 1 . . . . 62 GLU CB . 16135 1 678 . 1 1 62 62 GLU CG C 13 37.56 0.1 . 1 . . . . 62 GLU CG . 16135 1 679 . 1 1 62 62 GLU N N 15 116.00 0.5 . 1 . . . . 62 GLU N . 16135 1 680 . 1 1 63 63 GLY H H 1 7.89 0.05 . 1 . . . . 63 GLY HN . 16135 1 681 . 1 1 63 63 GLY HA2 H 1 3.77 0.05 . 2 . . . . 63 GLY HA1 . 16135 1 682 . 1 1 63 63 GLY HA3 H 1 4.24 0.05 . 2 . . . . 63 GLY HA2 . 16135 1 683 . 1 1 63 63 GLY C C 13 170.08 0.1 . 1 . . . . 63 GLY C . 16135 1 684 . 1 1 63 63 GLY CA C 13 44.59 0.1 . 1 . . . . 63 GLY CA . 16135 1 685 . 1 1 63 63 GLY N N 15 107.89 0.5 . 1 . . . . 63 GLY N . 16135 1 686 . 1 1 64 64 ASP H H 1 7.63 0.05 . 1 . . . . 64 ASP HN . 16135 1 687 . 1 1 64 64 ASP HA H 1 5.57 0.05 . 1 . . . . 64 ASP HA . 16135 1 688 . 1 1 64 64 ASP HB2 H 1 2.32 0.05 . 2 . . . . 64 ASP HB1 . 16135 1 689 . 1 1 64 64 ASP HB3 H 1 2.49 0.05 . 2 . . . . 64 ASP HB2 . 16135 1 690 . 1 1 64 64 ASP C C 13 175.43 0.1 . 1 . . . . 64 ASP C . 16135 1 691 . 1 1 64 64 ASP CA C 13 53.38 0.1 . 1 . . . . 64 ASP CA . 16135 1 692 . 1 1 64 64 ASP CB C 13 43.01 0.1 . 1 . . . . 64 ASP CB . 16135 1 693 . 1 1 64 64 ASP N N 15 117.65 0.5 . 1 . . . . 64 ASP N . 16135 1 694 . 1 1 65 65 PHE H H 1 8.96 0.05 . 1 . . . . 65 PHE HN . 16135 1 695 . 1 1 65 65 PHE HA H 1 5.14 0.05 . 1 . . . . 65 PHE HA . 16135 1 696 . 1 1 65 65 PHE HB2 H 1 2.45 0.05 . 2 . . . . 65 PHE HB1 . 16135 1 697 . 1 1 65 65 PHE HB3 H 1 2.96 0.05 . 2 . . . . 65 PHE HB2 . 16135 1 698 . 1 1 65 65 PHE HD1 H 1 6.85 0.05 . 3 . . . . 65 PHE HD1 . 16135 1 699 . 1 1 65 65 PHE HE1 H 1 6.79 0.05 . 3 . . . . 65 PHE HE1 . 16135 1 700 . 1 1 65 65 PHE C C 13 173.61 0.1 . 1 . . . . 65 PHE C . 16135 1 701 . 1 1 65 65 PHE CA C 13 56.33 0.1 . 1 . . . . 65 PHE CA . 16135 1 702 . 1 1 65 65 PHE CB C 13 45.06 0.1 . 1 . . . . 65 PHE CB . 16135 1 703 . 1 1 65 65 PHE CD1 C 13 133.03 0.1 . 3 . . . . 65 PHE CD1 . 16135 1 704 . 1 1 65 65 PHE CE1 C 13 131.02 0.1 . 3 . . . . 65 PHE CE1 . 16135 1 705 . 1 1 65 65 PHE N N 15 120.81 0.5 . 1 . . . . 65 PHE N . 16135 1 706 . 1 1 66 66 ILE H H 1 9.34 0.05 . 1 . . . . 66 ILE HN . 16135 1 707 . 1 1 66 66 ILE HA H 1 4.78 0.05 . 1 . . . . 66 ILE HA . 16135 1 708 . 1 1 66 66 ILE HB H 1 1.84 0.05 . 1 . . . . 66 ILE HB . 16135 1 709 . 1 1 66 66 ILE HD11 H 1 0.84 0.05 . 1 . . . . 66 ILE HD11 . 16135 1 710 . 1 1 66 66 ILE HD12 H 1 0.84 0.05 . 1 . . . . 66 ILE HD12 . 16135 1 711 . 1 1 66 66 ILE HD13 H 1 0.84 0.05 . 1 . . . . 66 ILE HD13 . 16135 1 712 . 1 1 66 66 ILE HG12 H 1 1.41 0.05 . 2 . . . . 66 ILE HG11 . 16135 1 713 . 1 1 66 66 ILE HG13 H 1 1.41 0.05 . 2 . . . . 66 ILE HG12 . 16135 1 714 . 1 1 66 66 ILE HG21 H 1 0.80 0.05 . 1 . . . . 66 ILE HG21 . 16135 1 715 . 1 1 66 66 ILE HG22 H 1 0.80 0.05 . 1 . . . . 66 ILE HG22 . 16135 1 716 . 1 1 66 66 ILE HG23 H 1 0.80 0.05 . 1 . . . . 66 ILE HG23 . 16135 1 717 . 1 1 66 66 ILE C C 13 175.61 0.1 . 1 . . . . 66 ILE C . 16135 1 718 . 1 1 66 66 ILE CA C 13 58.38 0.1 . 1 . . . . 66 ILE CA . 16135 1 719 . 1 1 66 66 ILE CB C 13 39.64 0.1 . 1 . . . . 66 ILE CB . 16135 1 720 . 1 1 66 66 ILE CD1 C 13 12.34 0.1 . 1 . . . . 66 ILE CD1 . 16135 1 721 . 1 1 66 66 ILE CG1 C 13 27.39 0.1 . 1 . . . . 66 ILE CG1 . 16135 1 722 . 1 1 66 66 ILE CG2 C 13 18.27 0.1 . 1 . . . . 66 ILE CG2 . 16135 1 723 . 1 1 66 66 ILE N N 15 119.72 0.5 . 1 . . . . 66 ILE N . 16135 1 724 . 1 1 67 67 MET H H 1 8.32 0.05 . 1 . . . . 67 MET HN . 16135 1 725 . 1 1 67 67 MET HA H 1 4.40 0.05 . 1 . . . . 67 MET HA . 16135 1 726 . 1 1 67 67 MET HG2 H 1 2.22 0.05 . 2 . . . . 67 MET HG2 . 16135 1 727 . 1 1 67 67 MET C C 13 174.55 0.1 . 1 . . . . 67 MET C . 16135 1 728 . 1 1 67 67 MET CA C 13 55.50 0.1 . 1 . . . . 67 MET CA . 16135 1 729 . 1 1 67 67 MET CB C 13 34.35 0.1 . 1 . . . . 67 MET CB . 16135 1 730 . 1 1 67 67 MET CG C 13 32.91 0.1 . 1 . . . . 67 MET CG . 16135 1 731 . 1 1 67 67 MET N N 15 125.33 0.5 . 1 . . . . 67 MET N . 16135 1 732 . 1 1 68 68 LEU H H 1 8.26 0.05 . 1 . . . . 68 LEU HN . 16135 1 733 . 1 1 68 68 LEU HA H 1 4.66 0.05 . 1 . . . . 68 LEU HA . 16135 1 734 . 1 1 68 68 LEU HB2 H 1 1.66 0.05 . 2 . . . . 68 LEU HB1 . 16135 1 735 . 1 1 68 68 LEU HB3 H 1 1.66 0.05 . 2 . . . . 68 LEU HB2 . 16135 1 736 . 1 1 68 68 LEU HD11 H 1 1.04 0.05 . 2 . . . . 68 LEU HD11 . 16135 1 737 . 1 1 68 68 LEU HD12 H 1 1.04 0.05 . 2 . . . . 68 LEU HD12 . 16135 1 738 . 1 1 68 68 LEU HD13 H 1 1.04 0.05 . 2 . . . . 68 LEU HD13 . 16135 1 739 . 1 1 68 68 LEU C C 13 176.67 0.1 . 1 . . . . 68 LEU C . 16135 1 740 . 1 1 68 68 LEU CA C 13 52.09 0.1 . 1 . . . . 68 LEU CA . 16135 1 741 . 1 1 68 68 LEU CB C 13 36.52 0.1 . 1 . . . . 68 LEU CB . 16135 1 742 . 1 1 68 68 LEU CD1 C 13 26.52 0.1 . 2 . . . . 68 LEU CD1 . 16135 1 743 . 1 1 68 68 LEU CG C 13 26.45 0.1 . 1 . . . . 68 LEU CG . 16135 1 744 . 1 1 68 68 LEU N N 15 128.73 0.5 . 1 . . . . 68 LEU N . 16135 1 745 . 1 1 69 69 THR H H 1 8.12 0.05 . 1 . . . . 69 THR HN . 16135 1 746 . 1 1 69 69 THR HA H 1 3.67 0.05 . 1 . . . . 69 THR HA . 16135 1 747 . 1 1 69 69 THR HB H 1 3.92 0.05 . 1 . . . . 69 THR HB . 16135 1 748 . 1 1 69 69 THR HG21 H 1 1.25 0.05 . 1 . . . . 69 THR HG21 . 16135 1 749 . 1 1 69 69 THR HG22 H 1 1.25 0.05 . 1 . . . . 69 THR HG22 . 16135 1 750 . 1 1 69 69 THR HG23 H 1 1.25 0.05 . 1 . . . . 69 THR HG23 . 16135 1 751 . 1 1 69 69 THR C C 13 174.40 0.1 . 1 . . . . 69 THR C . 16135 1 752 . 1 1 69 69 THR CA C 13 66.34 0.1 . 1 . . . . 69 THR CA . 16135 1 753 . 1 1 69 69 THR CB C 13 68.84 0.1 . 1 . . . . 69 THR CB . 16135 1 754 . 1 1 69 69 THR CG2 C 13 22.98 0.1 . 1 . . . . 69 THR CG2 . 16135 1 755 . 1 1 69 69 THR N N 15 121.51 0.5 . 1 . . . . 69 THR N . 16135 1 756 . 1 1 70 70 GLN H H 1 10.17 0.05 . 1 . . . . 70 GLN HN . 16135 1 757 . 1 1 70 70 GLN C C 13 175.55 0.1 . 1 . . . . 70 GLN C . 16135 1 758 . 1 1 70 70 GLN CA C 13 57.07 0.1 . 1 . . . . 70 GLN CA . 16135 1 759 . 1 1 70 70 GLN CB C 13 26.95 0.1 . 1 . . . . 70 GLN CB . 16135 1 760 . 1 1 70 70 GLN CG C 13 32.87 0.1 . 1 . . . . 70 GLN CG . 16135 1 761 . 1 1 70 70 GLN N N 15 116.15 0.5 . 1 . . . . 70 GLN N . 16135 1 762 . 1 1 71 71 GLN H H 1 8.28 0.05 . 1 . . . . 71 GLN HN . 16135 1 763 . 1 1 71 71 GLN HA H 1 4.53 0.05 . 1 . . . . 71 GLN HA . 16135 1 764 . 1 1 71 71 GLN HB2 H 1 2.15 0.05 . 2 . . . . 71 GLN HB1 . 16135 1 765 . 1 1 71 71 GLN HB3 H 1 2.15 0.05 . 2 . . . . 71 GLN HB2 . 16135 1 766 . 1 1 71 71 GLN HE21 H 1 6.63 0.05 . 2 . . . . 71 GLN HE21 . 16135 1 767 . 1 1 71 71 GLN HE22 H 1 7.38 0.05 . 2 . . . . 71 GLN HE22 . 16135 1 768 . 1 1 71 71 GLN HG2 H 1 2.27 0.05 . 2 . . . . 71 GLN HG2 . 16135 1 769 . 1 1 71 71 GLN C C 13 173.81 0.1 . 1 . . . . 71 GLN C . 16135 1 770 . 1 1 71 71 GLN CA C 13 54.68 0.1 . 1 . . . . 71 GLN CA . 16135 1 771 . 1 1 71 71 GLN CB C 13 27.94 0.1 . 1 . . . . 71 GLN CB . 16135 1 772 . 1 1 71 71 GLN CD C 13 178.99 0.1 . 1 . . . . 71 GLN CD . 16135 1 773 . 1 1 71 71 GLN CG C 13 34.85 0.1 . 1 . . . . 71 GLN CG . 16135 1 774 . 1 1 71 71 GLN N N 15 119.75 0.5 . 1 . . . . 71 GLN N . 16135 1 775 . 1 1 71 71 GLN NE2 N 15 109.24 0.5 . 1 . . . . 71 GLN NE2 . 16135 1 776 . 1 1 72 72 MET H H 1 7.34 0.05 . 1 . . . . 72 MET HN . 16135 1 777 . 1 1 72 72 MET HA H 1 4.68 0.05 . 1 . . . . 72 MET HA . 16135 1 778 . 1 1 72 72 MET HB2 H 1 2.27 0.05 . 2 . . . . 72 MET HB1 . 16135 1 779 . 1 1 72 72 MET HB3 H 1 2.27 0.05 . 2 . . . . 72 MET HB2 . 16135 1 780 . 1 1 72 72 MET HG2 H 1 2.33 0.05 . 2 . . . . 72 MET HG2 . 16135 1 781 . 1 1 72 72 MET C C 13 173.20 0.1 . 1 . . . . 72 MET C . 16135 1 782 . 1 1 72 72 MET CA C 13 57.07 0.1 . 1 . . . . 72 MET CA . 16135 1 783 . 1 1 72 72 MET CB C 13 34.82 0.1 . 1 . . . . 72 MET CB . 16135 1 784 . 1 1 72 72 MET CG C 13 30.52 0.1 . 1 . . . . 72 MET CG . 16135 1 785 . 1 1 72 72 MET N N 15 119.94 0.5 . 1 . . . . 72 MET N . 16135 1 786 . 1 1 73 73 THR H H 1 8.58 0.05 . 1 . . . . 73 THR HN . 16135 1 787 . 1 1 73 73 THR HA H 1 4.75 0.05 . 1 . . . . 73 THR HA . 16135 1 788 . 1 1 73 73 THR HB H 1 4.05 0.05 . 1 . . . . 73 THR HB . 16135 1 789 . 1 1 73 73 THR HG21 H 1 0.94 0.05 . 1 . . . . 73 THR HG21 . 16135 1 790 . 1 1 73 73 THR HG22 H 1 0.94 0.05 . 1 . . . . 73 THR HG22 . 16135 1 791 . 1 1 73 73 THR HG23 H 1 0.94 0.05 . 1 . . . . 73 THR HG23 . 16135 1 792 . 1 1 73 73 THR C C 13 171.05 0.1 . 1 . . . . 73 THR C . 16135 1 793 . 1 1 73 73 THR CA C 13 60.33 0.1 . 1 . . . . 73 THR CA . 16135 1 794 . 1 1 73 73 THR CB C 13 69.87 0.1 . 1 . . . . 73 THR CB . 16135 1 795 . 1 1 73 73 THR CG2 C 13 23.94 0.1 . 1 . . . . 73 THR CG2 . 16135 1 796 . 1 1 73 73 THR N N 15 115.09 0.5 . 1 . . . . 73 THR N . 16135 1 797 . 1 1 74 74 SER H H 1 7.68 0.05 . 1 . . . . 74 SER HN . 16135 1 798 . 1 1 74 74 SER HA H 1 5.33 0.05 . 1 . . . . 74 SER HA . 16135 1 799 . 1 1 74 74 SER HB2 H 1 3.73 0.05 . 2 . . . . 74 SER HB1 . 16135 1 800 . 1 1 74 74 SER HB3 H 1 3.88 0.05 . 2 . . . . 74 SER HB2 . 16135 1 801 . 1 1 74 74 SER C C 13 175.59 0.1 . 1 . . . . 74 SER C . 16135 1 802 . 1 1 74 74 SER CA C 13 56.36 0.1 . 1 . . . . 74 SER CA . 16135 1 803 . 1 1 74 74 SER CB C 13 64.25 0.1 . 1 . . . . 74 SER CB . 16135 1 804 . 1 1 74 74 SER N N 15 118.79 0.5 . 1 . . . . 74 SER N . 16135 1 805 . 1 1 75 75 VAL H H 1 8.85 0.05 . 1 . . . . 75 VAL HN . 16135 1 806 . 1 1 75 75 VAL HA H 1 4.95 0.05 . 1 . . . . 75 VAL HA . 16135 1 807 . 1 1 75 75 VAL HB H 1 1.97 0.05 . 1 . . . . 75 VAL HB . 16135 1 808 . 1 1 75 75 VAL HG11 H 1 0.57 0.05 . 2 . . . . 75 VAL HG11 . 16135 1 809 . 1 1 75 75 VAL HG12 H 1 0.57 0.05 . 2 . . . . 75 VAL HG12 . 16135 1 810 . 1 1 75 75 VAL HG13 H 1 0.57 0.05 . 2 . . . . 75 VAL HG13 . 16135 1 811 . 1 1 75 75 VAL HG21 H 1 0.50 0.05 . 2 . . . . 75 VAL HG21 . 16135 1 812 . 1 1 75 75 VAL HG22 H 1 0.50 0.05 . 2 . . . . 75 VAL HG22 . 16135 1 813 . 1 1 75 75 VAL HG23 H 1 0.50 0.05 . 2 . . . . 75 VAL HG23 . 16135 1 814 . 1 1 75 75 VAL C C 13 172.63 0.1 . 1 . . . . 75 VAL C . 16135 1 815 . 1 1 75 75 VAL CA C 13 57.30 0.1 . 1 . . . . 75 VAL CA . 16135 1 816 . 1 1 75 75 VAL CB C 13 32.87 0.1 . 1 . . . . 75 VAL CB . 16135 1 817 . 1 1 75 75 VAL CG1 C 13 21.68 0.1 . 2 . . . . 75 VAL CG1 . 16135 1 818 . 1 1 75 75 VAL CG2 C 13 19.09 0.1 . 2 . . . . 75 VAL CG2 . 16135 1 819 . 1 1 75 75 VAL N N 15 119.29 0.5 . 1 . . . . 75 VAL N . 16135 1 820 . 1 1 76 76 PRO HA H 1 4.59 0.05 . 1 . . . . 76 PRO HA . 16135 1 821 . 1 1 76 76 PRO HB2 H 1 2.50 0.05 . 2 . . . . 76 PRO HB1 . 16135 1 822 . 1 1 76 76 PRO HB3 H 1 2.50 0.05 . 2 . . . . 76 PRO HB2 . 16135 1 823 . 1 1 76 76 PRO HD2 H 1 3.68 0.05 . 2 . . . . 76 PRO HD1 . 16135 1 824 . 1 1 76 76 PRO HD3 H 1 3.68 0.05 . 2 . . . . 76 PRO HD2 . 16135 1 825 . 1 1 76 76 PRO HG2 H 1 2.03 0.05 . 2 . . . . 76 PRO HG2 . 16135 1 826 . 1 1 76 76 PRO C C 13 177.87 0.1 . 1 . . . . 76 PRO C . 16135 1 827 . 1 1 76 76 PRO CA C 13 62.16 0.1 . 1 . . . . 76 PRO CA . 16135 1 828 . 1 1 76 76 PRO CB C 13 32.29 0.1 . 1 . . . . 76 PRO CB . 16135 1 829 . 1 1 76 76 PRO CG C 13 27.63 0.1 . 1 . . . . 76 PRO CG . 16135 1 830 . 1 1 77 77 VAL H H 1 8.09 0.05 . 1 . . . . 77 VAL HN . 16135 1 831 . 1 1 77 77 VAL HA H 1 3.46 0.05 . 1 . . . . 77 VAL HA . 16135 1 832 . 1 1 77 77 VAL HB H 1 1.72 0.05 . 1 . . . . 77 VAL HB . 16135 1 833 . 1 1 77 77 VAL HG11 H 1 0.92 0.05 . 2 . . . . 77 VAL HG11 . 16135 1 834 . 1 1 77 77 VAL HG12 H 1 0.92 0.05 . 2 . . . . 77 VAL HG12 . 16135 1 835 . 1 1 77 77 VAL HG13 H 1 0.92 0.05 . 2 . . . . 77 VAL HG13 . 16135 1 836 . 1 1 77 77 VAL HG21 H 1 0.89 0.05 . 2 . . . . 77 VAL HG21 . 16135 1 837 . 1 1 77 77 VAL HG22 H 1 0.89 0.05 . 2 . . . . 77 VAL HG22 . 16135 1 838 . 1 1 77 77 VAL HG23 H 1 0.89 0.05 . 2 . . . . 77 VAL HG23 . 16135 1 839 . 1 1 77 77 VAL C C 13 177.37 0.1 . 1 . . . . 77 VAL C . 16135 1 840 . 1 1 77 77 VAL CA C 13 64.76 0.1 . 1 . . . . 77 VAL CA . 16135 1 841 . 1 1 77 77 VAL CB C 13 32.29 0.1 . 1 . . . . 77 VAL CB . 16135 1 842 . 1 1 77 77 VAL CG1 C 13 22.04 0.1 . 2 . . . . 77 VAL CG1 . 16135 1 843 . 1 1 77 77 VAL CG2 C 13 20.43 0.1 . 2 . . . . 77 VAL CG2 . 16135 1 844 . 1 1 77 77 VAL N N 15 122.62 0.5 . 1 . . . . 77 VAL N . 16135 1 845 . 1 1 78 78 LYS H H 1 7.90 0.05 . 1 . . . . 78 LYS HN . 16135 1 846 . 1 1 78 78 LYS HA H 1 4.06 0.05 . 1 . . . . 78 LYS HA . 16135 1 847 . 1 1 78 78 LYS HB2 H 1 1.80 0.05 . 2 . . . . 78 LYS HB1 . 16135 1 848 . 1 1 78 78 LYS HB3 H 1 1.80 0.05 . 2 . . . . 78 LYS HB2 . 16135 1 849 . 1 1 78 78 LYS HD2 H 1 1.70 0.05 . 2 . . . . 78 LYS HD1 . 16135 1 850 . 1 1 78 78 LYS HD3 H 1 1.70 0.05 . 2 . . . . 78 LYS HD2 . 16135 1 851 . 1 1 78 78 LYS HE2 H 1 2.98 0.05 . 2 . . . . 78 LYS HE1 . 16135 1 852 . 1 1 78 78 LYS HE3 H 1 2.98 0.05 . 2 . . . . 78 LYS HE2 . 16135 1 853 . 1 1 78 78 LYS HG2 H 1 1.46 0.05 . 2 . . . . 78 LYS HG2 . 16135 1 854 . 1 1 78 78 LYS C C 13 177.55 0.1 . 1 . . . . 78 LYS C . 16135 1 855 . 1 1 78 78 LYS CA C 13 58.23 0.1 . 1 . . . . 78 LYS CA . 16135 1 856 . 1 1 78 78 LYS CB C 13 32.19 0.1 . 1 . . . . 78 LYS CB . 16135 1 857 . 1 1 78 78 LYS CD C 13 28.84 0.1 . 1 . . . . 78 LYS CD . 16135 1 858 . 1 1 78 78 LYS CE C 13 41.77 0.1 . 1 . . . . 78 LYS CE . 16135 1 859 . 1 1 78 78 LYS CG C 13 24.81 0.1 . 1 . . . . 78 LYS CG . 16135 1 860 . 1 1 78 78 LYS N N 15 118.05 0.5 . 1 . . . . 78 LYS N . 16135 1 861 . 1 1 79 79 ILE H H 1 7.22 0.05 . 1 . . . . 79 ILE HN . 16135 1 862 . 1 1 79 79 ILE HA H 1 4.44 0.05 . 1 . . . . 79 ILE HA . 16135 1 863 . 1 1 79 79 ILE HB H 1 2.20 0.05 . 1 . . . . 79 ILE HB . 16135 1 864 . 1 1 79 79 ILE HD11 H 1 0.78 0.05 . 1 . . . . 79 ILE HD11 . 16135 1 865 . 1 1 79 79 ILE HD12 H 1 0.78 0.05 . 1 . . . . 79 ILE HD12 . 16135 1 866 . 1 1 79 79 ILE HD13 H 1 0.78 0.05 . 1 . . . . 79 ILE HD13 . 16135 1 867 . 1 1 79 79 ILE HG21 H 1 0.93 0.05 . 1 . . . . 79 ILE HG21 . 16135 1 868 . 1 1 79 79 ILE HG22 H 1 0.93 0.05 . 1 . . . . 79 ILE HG22 . 16135 1 869 . 1 1 79 79 ILE HG23 H 1 0.93 0.05 . 1 . . . . 79 ILE HG23 . 16135 1 870 . 1 1 79 79 ILE C C 13 176.79 0.1 . 1 . . . . 79 ILE C . 16135 1 871 . 1 1 79 79 ILE CA C 13 61.79 0.1 . 1 . . . . 79 ILE CA . 16135 1 872 . 1 1 79 79 ILE CB C 13 37.93 0.1 . 1 . . . . 79 ILE CB . 16135 1 873 . 1 1 79 79 ILE CD1 C 13 13.85 0.1 . 1 . . . . 79 ILE CD1 . 16135 1 874 . 1 1 79 79 ILE CG2 C 13 17.74 0.1 . 1 . . . . 79 ILE CG2 . 16135 1 875 . 1 1 79 79 ILE N N 15 111.95 0.5 . 1 . . . . 79 ILE N . 16135 1 876 . 1 1 80 80 LEU H H 1 7.55 0.05 . 1 . . . . 80 LEU HN . 16135 1 877 . 1 1 80 80 LEU HA H 1 4.22 0.05 . 1 . . . . 80 LEU HA . 16135 1 878 . 1 1 80 80 LEU HB2 H 1 1.49 0.05 . 2 . . . . 80 LEU HB1 . 16135 1 879 . 1 1 80 80 LEU HB3 H 1 1.49 0.05 . 2 . . . . 80 LEU HB2 . 16135 1 880 . 1 1 80 80 LEU HD11 H 1 0.32 0.05 . 2 . . . . 80 LEU HD11 . 16135 1 881 . 1 1 80 80 LEU HD12 H 1 0.32 0.05 . 2 . . . . 80 LEU HD12 . 16135 1 882 . 1 1 80 80 LEU HD13 H 1 0.32 0.05 . 2 . . . . 80 LEU HD13 . 16135 1 883 . 1 1 80 80 LEU HD21 H 1 0.19 0.05 . 2 . . . . 80 LEU HD21 . 16135 1 884 . 1 1 80 80 LEU HD22 H 1 0.19 0.05 . 2 . . . . 80 LEU HD22 . 16135 1 885 . 1 1 80 80 LEU HD23 H 1 0.19 0.05 . 2 . . . . 80 LEU HD23 . 16135 1 886 . 1 1 80 80 LEU C C 13 174.77 0.1 . 1 . . . . 80 LEU C . 16135 1 887 . 1 1 80 80 LEU CA C 13 52.51 0.1 . 1 . . . . 80 LEU CA . 16135 1 888 . 1 1 80 80 LEU CB C 13 36.78 0.1 . 1 . . . . 80 LEU CB . 16135 1 889 . 1 1 80 80 LEU CD1 C 13 21.33 0.1 . 2 . . . . 80 LEU CD1 . 16135 1 890 . 1 1 80 80 LEU CD2 C 13 25.50 0.1 . 2 . . . . 80 LEU CD2 . 16135 1 891 . 1 1 80 80 LEU N N 15 126.21 0.5 . 1 . . . . 80 LEU N . 16135 1 892 . 1 1 81 81 SER H H 1 7.33 0.05 . 1 . . . . 81 SER HN . 16135 1 893 . 1 1 81 81 SER HA H 1 4.62 0.05 . 1 . . . . 81 SER HA . 16135 1 894 . 1 1 81 81 SER HB2 H 1 3.75 0.05 . 2 . . . . 81 SER HB1 . 16135 1 895 . 1 1 81 81 SER HB3 H 1 3.75 0.05 . 2 . . . . 81 SER HB2 . 16135 1 896 . 1 1 81 81 SER C C 13 175.08 0.1 . 1 . . . . 81 SER C . 16135 1 897 . 1 1 81 81 SER CA C 13 58.03 0.1 . 1 . . . . 81 SER CA . 16135 1 898 . 1 1 81 81 SER CB C 13 64.87 0.1 . 1 . . . . 81 SER CB . 16135 1 899 . 1 1 81 81 SER N N 15 112.27 0.5 . 1 . . . . 81 SER N . 16135 1 900 . 1 1 82 82 GLU H H 1 8.94 0.05 . 1 . . . . 82 GLU HN . 16135 1 901 . 1 1 82 82 GLU HA H 1 5.11 0.05 . 1 . . . . 82 GLU HA . 16135 1 902 . 1 1 82 82 GLU HB2 H 1 2.29 0.05 . 2 . . . . 82 GLU HB1 . 16135 1 903 . 1 1 82 82 GLU HB3 H 1 2.29 0.05 . 2 . . . . 82 GLU HB2 . 16135 1 904 . 1 1 82 82 GLU HG2 H 1 2.27 0.05 . 2 . . . . 82 GLU HG2 . 16135 1 905 . 1 1 82 82 GLU C C 13 172.27 0.1 . 1 . . . . 82 GLU C . 16135 1 906 . 1 1 82 82 GLU CA C 13 54.10 0.1 . 1 . . . . 82 GLU CA . 16135 1 907 . 1 1 82 82 GLU CB C 13 30.68 0.1 . 1 . . . . 82 GLU CB . 16135 1 908 . 1 1 82 82 GLU CG C 13 36.48 0.1 . 1 . . . . 82 GLU CG . 16135 1 909 . 1 1 82 82 GLU N N 15 123.10 0.5 . 1 . . . . 82 GLU N . 16135 1 910 . 1 1 83 83 PRO HA H 1 4.54 0.05 . 1 . . . . 83 PRO HA . 16135 1 911 . 1 1 83 83 PRO HB2 H 1 2.46 0.05 . 2 . . . . 83 PRO HB1 . 16135 1 912 . 1 1 83 83 PRO HB3 H 1 2.46 0.05 . 2 . . . . 83 PRO HB2 . 16135 1 913 . 1 1 83 83 PRO HD2 H 1 3.67 0.05 . 2 . . . . 83 PRO HD1 . 16135 1 914 . 1 1 83 83 PRO HD3 H 1 4.03 0.05 . 2 . . . . 83 PRO HD2 . 16135 1 915 . 1 1 83 83 PRO HG2 H 1 1.88 0.05 . 2 . . . . 83 PRO HG2 . 16135 1 916 . 1 1 83 83 PRO C C 13 178.31 0.1 . 1 . . . . 83 PRO C . 16135 1 917 . 1 1 83 83 PRO CA C 13 62.79 0.1 . 1 . . . . 83 PRO CA . 16135 1 918 . 1 1 83 83 PRO CB C 13 32.12 0.1 . 1 . . . . 83 PRO CB . 16135 1 919 . 1 1 83 83 PRO CD C 13 50.64 0.1 . 1 . . . . 83 PRO CD . 16135 1 920 . 1 1 84 84 VAL H H 1 9.03 0.05 . 1 . . . . 84 VAL HN . 16135 1 921 . 1 1 84 84 VAL HA H 1 4.53 0.05 . 1 . . . . 84 VAL HA . 16135 1 922 . 1 1 84 84 VAL HB H 1 2.18 0.05 . 1 . . . . 84 VAL HB . 16135 1 923 . 1 1 84 84 VAL HG11 H 1 1.01 0.05 . 2 . . . . 84 VAL HG11 . 16135 1 924 . 1 1 84 84 VAL HG12 H 1 1.01 0.05 . 2 . . . . 84 VAL HG12 . 16135 1 925 . 1 1 84 84 VAL HG13 H 1 1.01 0.05 . 2 . . . . 84 VAL HG13 . 16135 1 926 . 1 1 84 84 VAL HG21 H 1 0.74 0.05 . 2 . . . . 84 VAL HG21 . 16135 1 927 . 1 1 84 84 VAL HG22 H 1 0.74 0.05 . 2 . . . . 84 VAL HG22 . 16135 1 928 . 1 1 84 84 VAL HG23 H 1 0.74 0.05 . 2 . . . . 84 VAL HG23 . 16135 1 929 . 1 1 84 84 VAL C C 13 174.74 0.1 . 1 . . . . 84 VAL C . 16135 1 930 . 1 1 84 84 VAL CA C 13 61.44 0.1 . 1 . . . . 84 VAL CA . 16135 1 931 . 1 1 84 84 VAL CB C 13 34.63 0.1 . 1 . . . . 84 VAL CB . 16135 1 932 . 1 1 84 84 VAL CG1 C 13 22.14 0.1 . 2 . . . . 84 VAL CG1 . 16135 1 933 . 1 1 84 84 VAL CG2 C 13 19.54 0.1 . 2 . . . . 84 VAL CG2 . 16135 1 934 . 1 1 84 84 VAL N N 15 115.89 0.5 . 1 . . . . 84 VAL N . 16135 1 935 . 1 1 85 85 ASN H H 1 7.70 0.05 . 1 . . . . 85 ASN HN . 16135 1 936 . 1 1 85 85 ASN HA H 1 4.77 0.05 . 1 . . . . 85 ASN HA . 16135 1 937 . 1 1 85 85 ASN HB2 H 1 2.28 0.05 . 2 . . . . 85 ASN HB1 . 16135 1 938 . 1 1 85 85 ASN HB3 H 1 2.90 0.05 . 2 . . . . 85 ASN HB2 . 16135 1 939 . 1 1 85 85 ASN C C 13 173.67 0.1 . 1 . . . . 85 ASN C . 16135 1 940 . 1 1 85 85 ASN CA C 13 51.81 0.1 . 1 . . . . 85 ASN CA . 16135 1 941 . 1 1 85 85 ASN CB C 13 40.90 0.1 . 1 . . . . 85 ASN CB . 16135 1 942 . 1 1 85 85 ASN N N 15 116.56 0.5 . 1 . . . . 85 ASN N . 16135 1 943 . 1 1 86 86 GLU H H 1 9.81 0.05 . 1 . . . . 86 GLU HN . 16135 1 944 . 1 1 86 86 GLU HA H 1 5.01 0.05 . 1 . . . . 86 GLU HA . 16135 1 945 . 1 1 86 86 GLU HB2 H 1 2.17 0.05 . 2 . . . . 86 GLU HB1 . 16135 1 946 . 1 1 86 86 GLU HB3 H 1 2.17 0.05 . 2 . . . . 86 GLU HB2 . 16135 1 947 . 1 1 86 86 GLU HG2 H 1 2.43 0.05 . 2 . . . . 86 GLU HG2 . 16135 1 948 . 1 1 86 86 GLU C C 13 175.66 0.1 . 1 . . . . 86 GLU C . 16135 1 949 . 1 1 86 86 GLU CA C 13 56.11 0.1 . 1 . . . . 86 GLU CA . 16135 1 950 . 1 1 86 86 GLU CB C 13 31.10 0.1 . 1 . . . . 86 GLU CB . 16135 1 951 . 1 1 86 86 GLU CG C 13 34.07 0.1 . 1 . . . . 86 GLU CG . 16135 1 952 . 1 1 86 86 GLU N N 15 120.64 0.5 . 1 . . . . 86 GLU N . 16135 1 953 . 1 1 87 87 LEU H H 1 9.08 0.05 . 1 . . . . 87 LEU HN . 16135 1 954 . 1 1 87 87 LEU HA H 1 4.95 0.05 . 1 . . . . 87 LEU HA . 16135 1 955 . 1 1 87 87 LEU HB2 H 1 2.12 0.05 . 2 . . . . 87 LEU HB1 . 16135 1 956 . 1 1 87 87 LEU HB3 H 1 2.12 0.05 . 2 . . . . 87 LEU HB2 . 16135 1 957 . 1 1 87 87 LEU HD21 H 1 0.76 0.05 . 2 . . . . 87 LEU HD21 . 16135 1 958 . 1 1 87 87 LEU HD22 H 1 0.76 0.05 . 2 . . . . 87 LEU HD22 . 16135 1 959 . 1 1 87 87 LEU HD23 H 1 0.76 0.05 . 2 . . . . 87 LEU HD23 . 16135 1 960 . 1 1 87 87 LEU HG H 1 1.67 0.05 . 1 . . . . 87 LEU HG . 16135 1 961 . 1 1 87 87 LEU C C 13 177.75 0.1 . 1 . . . . 87 LEU C . 16135 1 962 . 1 1 87 87 LEU CA C 13 53.62 0.1 . 1 . . . . 87 LEU CA . 16135 1 963 . 1 1 87 87 LEU CB C 13 41.29 0.1 . 1 . . . . 87 LEU CB . 16135 1 964 . 1 1 87 87 LEU CD1 C 13 23.08 0.1 . 2 . . . . 87 LEU CD1 . 16135 1 965 . 1 1 87 87 LEU CD2 C 13 23.23 0.1 . 2 . . . . 87 LEU CD2 . 16135 1 966 . 1 1 87 87 LEU CG C 13 27.08 0.1 . 1 . . . . 87 LEU CG . 16135 1 967 . 1 1 87 87 LEU N N 15 121.49 0.5 . 1 . . . . 87 LEU N . 16135 1 968 . 1 1 88 88 SER H H 1 8.49 0.05 . 1 . . . . 88 SER HN . 16135 1 969 . 1 1 88 88 SER HA H 1 3.65 0.05 . 1 . . . . 88 SER HA . 16135 1 970 . 1 1 88 88 SER HB2 H 1 3.68 0.05 . 9 . . . . 88 SER HB1 . 16135 1 971 . 1 1 88 88 SER HB3 H 1 3.99 0.05 . 9 . . . . 88 SER HB2 . 16135 1 972 . 1 1 88 88 SER C C 13 177.39 0.1 . 1 . . . . 88 SER C . 16135 1 973 . 1 1 88 88 SER CA C 13 62.74 0.1 . 1 . . . . 88 SER CA . 16135 1 974 . 1 1 88 88 SER CB C 13 61.98 0.1 . 1 . . . . 88 SER CB . 16135 1 975 . 1 1 88 88 SER N N 15 117.71 0.5 . 1 . . . . 88 SER N . 16135 1 976 . 1 1 89 89 THR H H 1 8.50 0.05 . 1 . . . . 89 THR HN . 16135 1 977 . 1 1 89 89 THR HA H 1 4.04 0.05 . 1 . . . . 89 THR HA . 16135 1 978 . 1 1 89 89 THR HB H 1 3.81 0.05 . 1 . . . . 89 THR HB . 16135 1 979 . 1 1 89 89 THR HG21 H 1 0.93 0.05 . 1 . . . . 89 THR HG21 . 16135 1 980 . 1 1 89 89 THR HG22 H 1 0.93 0.05 . 1 . . . . 89 THR HG22 . 16135 1 981 . 1 1 89 89 THR HG23 H 1 0.93 0.05 . 1 . . . . 89 THR HG23 . 16135 1 982 . 1 1 89 89 THR C C 13 175.14 0.1 . 1 . . . . 89 THR C . 16135 1 983 . 1 1 89 89 THR CA C 13 64.87 0.1 . 1 . . . . 89 THR CA . 16135 1 984 . 1 1 89 89 THR CB C 13 68.27 0.1 . 1 . . . . 89 THR CB . 16135 1 985 . 1 1 89 89 THR CG2 C 13 21.61 0.1 . 1 . . . . 89 THR CG2 . 16135 1 986 . 1 1 89 89 THR N N 15 116.59 0.5 . 1 . . . . 89 THR N . 16135 1 987 . 1 1 90 90 PHE H H 1 7.94 0.05 . 1 . . . . 90 PHE HN . 16135 1 988 . 1 1 90 90 PHE HA H 1 4.99 0.05 . 1 . . . . 90 PHE HA . 16135 1 989 . 1 1 90 90 PHE HB2 H 1 2.87 0.05 . 2 . . . . 90 PHE HB1 . 16135 1 990 . 1 1 90 90 PHE HB3 H 1 3.46 0.05 . 2 . . . . 90 PHE HB2 . 16135 1 991 . 1 1 90 90 PHE HD1 H 1 7.18 0.05 . 3 . . . . 90 PHE HD1 . 16135 1 992 . 1 1 90 90 PHE HE1 H 1 7.47 0.05 . 3 . . . . 90 PHE HE1 . 16135 1 993 . 1 1 90 90 PHE HZ H 1 7.52 0.05 . 1 . . . . 90 PHE HZ . 16135 1 994 . 1 1 90 90 PHE C C 13 174.99 0.1 . 1 . . . . 90 PHE C . 16135 1 995 . 1 1 90 90 PHE CA C 13 57.37 0.1 . 1 . . . . 90 PHE CA . 16135 1 996 . 1 1 90 90 PHE CB C 13 38.47 0.1 . 1 . . . . 90 PHE CB . 16135 1 997 . 1 1 90 90 PHE CD1 C 13 131.88 0.1 . 3 . . . . 90 PHE CD1 . 16135 1 998 . 1 1 90 90 PHE CE1 C 13 131.71 0.1 . 3 . . . . 90 PHE CE1 . 16135 1 999 . 1 1 90 90 PHE CZ C 13 129.55 0.1 . 1 . . . . 90 PHE CZ . 16135 1 1000 . 1 1 90 90 PHE N N 15 119.81 0.5 . 1 . . . . 90 PHE N . 16135 1 1001 . 1 1 91 91 ARG H H 1 7.21 0.05 . 1 . . . . 91 ARG HN . 16135 1 1002 . 1 1 91 91 ARG HA H 1 3.25 0.05 . 1 . . . . 91 ARG HA . 16135 1 1003 . 1 1 91 91 ARG HB2 H 1 1.30 0.05 . 2 . . . . 91 ARG HB1 . 16135 1 1004 . 1 1 91 91 ARG HB3 H 1 1.56 0.05 . 2 . . . . 91 ARG HB2 . 16135 1 1005 . 1 1 91 91 ARG HD2 H 1 3.21 0.05 . 2 . . . . 91 ARG HD1 . 16135 1 1006 . 1 1 91 91 ARG HD3 H 1 3.21 0.05 . 2 . . . . 91 ARG HD2 . 16135 1 1007 . 1 1 91 91 ARG HG2 H 1 1.53 0.05 . 2 . . . . 91 ARG HG2 . 16135 1 1008 . 1 1 91 91 ARG C C 13 176.51 0.1 . 1 . . . . 91 ARG C . 16135 1 1009 . 1 1 91 91 ARG CA C 13 59.83 0.1 . 1 . . . . 91 ARG CA . 16135 1 1010 . 1 1 91 91 ARG CB C 13 30.08 0.1 . 1 . . . . 91 ARG CB . 16135 1 1011 . 1 1 91 91 ARG CD C 13 43.37 0.1 . 1 . . . . 91 ARG CD . 16135 1 1012 . 1 1 91 91 ARG CG C 13 26.27 0.1 . 1 . . . . 91 ARG CG . 16135 1 1013 . 1 1 91 91 ARG N N 15 118.93 0.5 . 1 . . . . 91 ARG N . 16135 1 1014 . 1 1 92 92 ASN H H 1 8.69 0.05 . 1 . . . . 92 ASN HN . 16135 1 1015 . 1 1 92 92 ASN HA H 1 4.34 0.05 . 1 . . . . 92 ASN HA . 16135 1 1016 . 1 1 92 92 ASN HB2 H 1 2.77 0.05 . 2 . . . . 92 ASN HB1 . 16135 1 1017 . 1 1 92 92 ASN HB3 H 1 2.77 0.05 . 2 . . . . 92 ASN HB2 . 16135 1 1018 . 1 1 92 92 ASN HD21 H 1 6.94 0.05 . 2 . . . . 92 ASN HD1 . 16135 1 1019 . 1 1 92 92 ASN HD22 H 1 7.68 0.05 . 2 . . . . 92 ASN HD2 . 16135 1 1020 . 1 1 92 92 ASN C C 13 178.07 0.1 . 1 . . . . 92 ASN C . 16135 1 1021 . 1 1 92 92 ASN CA C 13 56.52 0.1 . 1 . . . . 92 ASN CA . 16135 1 1022 . 1 1 92 92 ASN CB C 13 37.18 0.1 . 1 . . . . 92 ASN CB . 16135 1 1023 . 1 1 92 92 ASN CG C 13 176.32 0.1 . 1 . . . . 92 ASN CG . 16135 1 1024 . 1 1 92 92 ASN N N 15 116.01 0.5 . 1 . . . . 92 ASN N . 16135 1 1025 . 1 1 92 92 ASN ND2 N 15 112.81 0.5 . 1 . . . . 92 ASN ND2 . 16135 1 1026 . 1 1 93 93 GLU H H 1 8.80 0.05 . 1 . . . . 93 GLU HN . 16135 1 1027 . 1 1 93 93 GLU HA H 1 4.09 0.05 . 1 . . . . 93 GLU HA . 16135 1 1028 . 1 1 93 93 GLU HB2 H 1 1.96 0.05 . 2 . . . . 93 GLU HB1 . 16135 1 1029 . 1 1 93 93 GLU HB3 H 1 1.96 0.05 . 2 . . . . 93 GLU HB2 . 16135 1 1030 . 1 1 93 93 GLU HG2 H 1 2.63 0.05 . 2 . . . . 93 GLU HG2 . 16135 1 1031 . 1 1 93 93 GLU C C 13 179.25 0.1 . 1 . . . . 93 GLU C . 16135 1 1032 . 1 1 93 93 GLU CA C 13 60.33 0.1 . 1 . . . . 93 GLU CA . 16135 1 1033 . 1 1 93 93 GLU CB C 13 29.03 0.1 . 1 . . . . 93 GLU CB . 16135 1 1034 . 1 1 93 93 GLU CG C 13 37.35 0.1 . 1 . . . . 93 GLU CG . 16135 1 1035 . 1 1 93 93 GLU N N 15 121.69 0.5 . 1 . . . . 93 GLU N . 16135 1 1036 . 1 1 94 94 ILE H H 1 8.28 0.05 . 1 . . . . 94 ILE HN . 16135 1 1037 . 1 1 94 94 ILE HA H 1 3.69 0.05 . 1 . . . . 94 ILE HA . 16135 1 1038 . 1 1 94 94 ILE HB H 1 1.86 0.05 . 1 . . . . 94 ILE HB . 16135 1 1039 . 1 1 94 94 ILE HG21 H 1 1.08 0.05 . 1 . . . . 94 ILE HG21 . 16135 1 1040 . 1 1 94 94 ILE HG22 H 1 1.08 0.05 . 1 . . . . 94 ILE HG22 . 16135 1 1041 . 1 1 94 94 ILE HG23 H 1 1.08 0.05 . 1 . . . . 94 ILE HG23 . 16135 1 1042 . 1 1 94 94 ILE C C 13 177.01 0.1 . 1 . . . . 94 ILE C . 16135 1 1043 . 1 1 94 94 ILE CA C 13 66.06 0.1 . 1 . . . . 94 ILE CA . 16135 1 1044 . 1 1 94 94 ILE CB C 13 38.28 0.1 . 1 . . . . 94 ILE CB . 16135 1 1045 . 1 1 94 94 ILE CG2 C 13 17.09 0.1 . 1 . . . . 94 ILE CG2 . 16135 1 1046 . 1 1 94 94 ILE N N 15 120.93 0.5 . 1 . . . . 94 ILE N . 16135 1 1047 . 1 1 95 95 ILE H H 1 8.39 0.05 . 1 . . . . 95 ILE HN . 16135 1 1048 . 1 1 95 95 ILE HA H 1 3.79 0.05 . 1 . . . . 95 ILE HA . 16135 1 1049 . 1 1 95 95 ILE HB H 1 2.05 0.05 . 1 . . . . 95 ILE HB . 16135 1 1050 . 1 1 95 95 ILE HG21 H 1 1.00 0.05 . 1 . . . . 95 ILE HG21 . 16135 1 1051 . 1 1 95 95 ILE HG22 H 1 1.00 0.05 . 1 . . . . 95 ILE HG22 . 16135 1 1052 . 1 1 95 95 ILE HG23 H 1 1.00 0.05 . 1 . . . . 95 ILE HG23 . 16135 1 1053 . 1 1 95 95 ILE C C 13 177.97 0.1 . 1 . . . . 95 ILE C . 16135 1 1054 . 1 1 95 95 ILE CA C 13 64.35 0.1 . 1 . . . . 95 ILE CA . 16135 1 1055 . 1 1 95 95 ILE CB C 13 42.14 0.1 . 1 . . . . 95 ILE CB . 16135 1 1056 . 1 1 95 95 ILE CG1 C 13 28.67 0.1 . 1 . . . . 95 ILE CG1 . 16135 1 1057 . 1 1 95 95 ILE CG2 C 13 17.35 0.1 . 1 . . . . 95 ILE CG2 . 16135 1 1058 . 1 1 95 95 ILE N N 15 118.51 0.5 . 1 . . . . 95 ILE N . 16135 1 1059 . 1 1 96 96 ALA H H 1 8.01 0.05 . 1 . . . . 96 ALA HN . 16135 1 1060 . 1 1 96 96 ALA HA H 1 4.30 0.05 . 1 . . . . 96 ALA HA . 16135 1 1061 . 1 1 96 96 ALA HB1 H 1 1.57 0.05 . 1 . . . . 96 ALA HB1 . 16135 1 1062 . 1 1 96 96 ALA HB2 H 1 1.57 0.05 . 1 . . . . 96 ALA HB2 . 16135 1 1063 . 1 1 96 96 ALA HB3 H 1 1.57 0.05 . 1 . . . . 96 ALA HB3 . 16135 1 1064 . 1 1 96 96 ALA C C 13 180.63 0.1 . 1 . . . . 96 ALA C . 16135 1 1065 . 1 1 96 96 ALA CA C 13 54.89 0.1 . 1 . . . . 96 ALA CA . 16135 1 1066 . 1 1 96 96 ALA CB C 13 18.41 0.1 . 1 . . . . 96 ALA CB . 16135 1 1067 . 1 1 96 96 ALA N N 15 119.22 0.5 . 1 . . . . 96 ALA N . 16135 1 1068 . 1 1 97 97 ALA H H 1 7.68 0.05 . 1 . . . . 97 ALA HN . 16135 1 1069 . 1 1 97 97 ALA HA H 1 4.47 0.05 . 1 . . . . 97 ALA HA . 16135 1 1070 . 1 1 97 97 ALA HB1 H 1 1.74 0.05 . 1 . . . . 97 ALA HB1 . 16135 1 1071 . 1 1 97 97 ALA HB2 H 1 1.74 0.05 . 1 . . . . 97 ALA HB2 . 16135 1 1072 . 1 1 97 97 ALA HB3 H 1 1.74 0.05 . 1 . . . . 97 ALA HB3 . 16135 1 1073 . 1 1 97 97 ALA C C 13 179.04 0.1 . 1 . . . . 97 ALA C . 16135 1 1074 . 1 1 97 97 ALA CA C 13 55.61 0.1 . 1 . . . . 97 ALA CA . 16135 1 1075 . 1 1 97 97 ALA CB C 13 18.61 0.1 . 1 . . . . 97 ALA CB . 16135 1 1076 . 1 1 97 97 ALA N N 15 123.11 0.5 . 1 . . . . 97 ALA N . 16135 1 1077 . 1 1 98 98 ILE H H 1 7.77 0.05 . 1 . . . . 98 ILE HN . 16135 1 1078 . 1 1 98 98 ILE HA H 1 3.45 0.05 . 1 . . . . 98 ILE HA . 16135 1 1079 . 1 1 98 98 ILE HB H 1 1.97 0.05 . 1 . . . . 98 ILE HB . 16135 1 1080 . 1 1 98 98 ILE HD11 H 1 0.86 0.05 . 1 . . . . 98 ILE HD11 . 16135 1 1081 . 1 1 98 98 ILE HD12 H 1 0.86 0.05 . 1 . . . . 98 ILE HD12 . 16135 1 1082 . 1 1 98 98 ILE HD13 H 1 0.86 0.05 . 1 . . . . 98 ILE HD13 . 16135 1 1083 . 1 1 98 98 ILE HG12 H 1 1.49 0.05 . 2 . . . . 98 ILE HG11 . 16135 1 1084 . 1 1 98 98 ILE HG13 H 1 1.49 0.05 . 2 . . . . 98 ILE HG12 . 16135 1 1085 . 1 1 98 98 ILE C C 13 177.59 0.1 . 1 . . . . 98 ILE C . 16135 1 1086 . 1 1 98 98 ILE CA C 13 66.05 0.1 . 1 . . . . 98 ILE CA . 16135 1 1087 . 1 1 98 98 ILE CB C 13 38.45 0.1 . 1 . . . . 98 ILE CB . 16135 1 1088 . 1 1 98 98 ILE CD1 C 13 16.60 0.1 . 1 . . . . 98 ILE CD1 . 16135 1 1089 . 1 1 98 98 ILE CG1 C 13 24.87 0.1 . 1 . . . . 98 ILE CG1 . 16135 1 1090 . 1 1 98 98 ILE CG2 C 13 21.19 0.1 . 1 . . . . 98 ILE CG2 . 16135 1 1091 . 1 1 98 98 ILE N N 15 118.82 0.5 . 1 . . . . 98 ILE N . 16135 1 1092 . 1 1 99 99 ASP H H 1 8.65 0.05 . 1 . . . . 99 ASP HN . 16135 1 1093 . 1 1 99 99 ASP HA H 1 4.63 0.05 . 1 . . . . 99 ASP HA . 16135 1 1094 . 1 1 99 99 ASP HB2 H 1 2.88 0.05 . 2 . . . . 99 ASP HB1 . 16135 1 1095 . 1 1 99 99 ASP HB3 H 1 2.88 0.05 . 2 . . . . 99 ASP HB2 . 16135 1 1096 . 1 1 99 99 ASP C C 13 179.84 0.1 . 1 . . . . 99 ASP C . 16135 1 1097 . 1 1 99 99 ASP CA C 13 56.83 0.1 . 1 . . . . 99 ASP CA . 16135 1 1098 . 1 1 99 99 ASP CB C 13 39.69 0.1 . 1 . . . . 99 ASP CB . 16135 1 1099 . 1 1 99 99 ASP N N 15 116.73 0.5 . 1 . . . . 99 ASP N . 16135 1 1100 . 1 1 100 100 PHE H H 1 8.49 0.05 . 1 . . . . 100 PHE HN . 16135 1 1101 . 1 1 100 100 PHE HA H 1 4.46 0.05 . 1 . . . . 100 PHE HA . 16135 1 1102 . 1 1 100 100 PHE HB2 H 1 3.15 0.05 . 2 . . . . 100 PHE HB1 . 16135 1 1103 . 1 1 100 100 PHE HB3 H 1 3.29 0.05 . 2 . . . . 100 PHE HB2 . 16135 1 1104 . 1 1 100 100 PHE HD1 H 1 7.03 0.05 . 3 . . . . 100 PHE HD1 . 16135 1 1105 . 1 1 100 100 PHE C C 13 176.74 0.1 . 1 . . . . 100 PHE C . 16135 1 1106 . 1 1 100 100 PHE CA C 13 60.45 0.1 . 1 . . . . 100 PHE CA . 16135 1 1107 . 1 1 100 100 PHE CB C 13 38.93 0.1 . 1 . . . . 100 PHE CB . 16135 1 1108 . 1 1 100 100 PHE CD1 C 13 131.16 0.1 . 3 . . . . 100 PHE CD1 . 16135 1 1109 . 1 1 100 100 PHE N N 15 124.44 0.5 . 1 . . . . 100 PHE N . 16135 1 1110 . 1 1 101 101 LEU H H 1 7.76 0.05 . 1 . . . . 101 LEU HN . 16135 1 1111 . 1 1 101 101 LEU HA H 1 3.85 0.05 . 1 . . . . 101 LEU HA . 16135 1 1112 . 1 1 101 101 LEU HB2 H 1 2.24 0.05 . 2 . . . . 101 LEU HB1 . 16135 1 1113 . 1 1 101 101 LEU HB3 H 1 2.24 0.05 . 2 . . . . 101 LEU HB2 . 16135 1 1114 . 1 1 101 101 LEU HD11 H 1 0.91 0.05 . 2 . . . . 101 LEU HD11 . 16135 1 1115 . 1 1 101 101 LEU HD12 H 1 0.91 0.05 . 2 . . . . 101 LEU HD12 . 16135 1 1116 . 1 1 101 101 LEU HD13 H 1 0.91 0.05 . 2 . . . . 101 LEU HD13 . 16135 1 1117 . 1 1 101 101 LEU HD21 H 1 0.92 0.05 . 2 . . . . 101 LEU HD21 . 16135 1 1118 . 1 1 101 101 LEU HD22 H 1 0.92 0.05 . 2 . . . . 101 LEU HD22 . 16135 1 1119 . 1 1 101 101 LEU HD23 H 1 0.92 0.05 . 2 . . . . 101 LEU HD23 . 16135 1 1120 . 1 1 101 101 LEU HG H 1 1.57 0.05 . 1 . . . . 101 LEU HG . 16135 1 1121 . 1 1 101 101 LEU C C 13 176.49 0.1 . 1 . . . . 101 LEU C . 16135 1 1122 . 1 1 101 101 LEU CA C 13 57.60 0.1 . 1 . . . . 101 LEU CA . 16135 1 1123 . 1 1 101 101 LEU CB C 13 41.72 0.1 . 1 . . . . 101 LEU CB . 16135 1 1124 . 1 1 101 101 LEU CD1 C 13 28.55 0.1 . 2 . . . . 101 LEU CD1 . 16135 1 1125 . 1 1 101 101 LEU CD2 C 13 24.19 0.1 . 2 . . . . 101 LEU CD2 . 16135 1 1126 . 1 1 101 101 LEU CG C 13 28.44 0.1 . 1 . . . . 101 LEU CG . 16135 1 1127 . 1 1 101 101 LEU N N 15 119.45 0.5 . 1 . . . . 101 LEU N . 16135 1 1128 . 1 1 102 102 ILE H H 1 7.43 0.05 . 1 . . . . 102 ILE HN . 16135 1 1129 . 1 1 102 102 ILE HA H 1 4.37 0.05 . 1 . . . . 102 ILE HA . 16135 1 1130 . 1 1 102 102 ILE HB H 1 2.18 0.05 . 1 . . . . 102 ILE HB . 16135 1 1131 . 1 1 102 102 ILE HD11 H 1 0.78 0.05 . 1 . . . . 102 ILE HD11 . 16135 1 1132 . 1 1 102 102 ILE HD12 H 1 0.78 0.05 . 1 . . . . 102 ILE HD12 . 16135 1 1133 . 1 1 102 102 ILE HD13 H 1 0.78 0.05 . 1 . . . . 102 ILE HD13 . 16135 1 1134 . 1 1 102 102 ILE HG12 H 1 1.59 0.05 . 2 . . . . 102 ILE HG11 . 16135 1 1135 . 1 1 102 102 ILE HG13 H 1 1.59 0.05 . 2 . . . . 102 ILE HG12 . 16135 1 1136 . 1 1 102 102 ILE HG21 H 1 0.96 0.05 . 1 . . . . 102 ILE HG21 . 16135 1 1137 . 1 1 102 102 ILE HG22 H 1 0.96 0.05 . 1 . . . . 102 ILE HG22 . 16135 1 1138 . 1 1 102 102 ILE HG23 H 1 0.96 0.05 . 1 . . . . 102 ILE HG23 . 16135 1 1139 . 1 1 102 102 ILE C C 13 177.03 0.1 . 1 . . . . 102 ILE C . 16135 1 1140 . 1 1 102 102 ILE CA C 13 61.61 0.1 . 1 . . . . 102 ILE CA . 16135 1 1141 . 1 1 102 102 ILE CB C 13 38.51 0.1 . 1 . . . . 102 ILE CB . 16135 1 1142 . 1 1 102 102 ILE CD1 C 13 13.98 0.1 . 1 . . . . 102 ILE CD1 . 16135 1 1143 . 1 1 102 102 ILE CG1 C 13 27.21 0.1 . 1 . . . . 102 ILE CG1 . 16135 1 1144 . 1 1 102 102 ILE CG2 C 13 17.55 0.1 . 1 . . . . 102 ILE CG2 . 16135 1 1145 . 1 1 102 102 ILE N N 15 110.71 0.5 . 1 . . . . 102 ILE N . 16135 1 1146 . 1 1 103 103 THR H H 1 8.51 0.05 . 1 . . . . 103 THR HN . 16135 1 1147 . 1 1 103 103 THR HA H 1 4.79 0.05 . 1 . . . . 103 THR HA . 16135 1 1148 . 1 1 103 103 THR HB H 1 4.42 0.05 . 1 . . . . 103 THR HB . 16135 1 1149 . 1 1 103 103 THR HG21 H 1 1.39 0.05 . 1 . . . . 103 THR HG21 . 16135 1 1150 . 1 1 103 103 THR HG22 H 1 1.39 0.05 . 1 . . . . 103 THR HG22 . 16135 1 1151 . 1 1 103 103 THR HG23 H 1 1.39 0.05 . 1 . . . . 103 THR HG23 . 16135 1 1152 . 1 1 103 103 THR C C 13 176.48 0.1 . 1 . . . . 103 THR C . 16135 1 1153 . 1 1 103 103 THR CA C 13 62.74 0.1 . 1 . . . . 103 THR CA . 16135 1 1154 . 1 1 103 103 THR CB C 13 71.67 0.1 . 1 . . . . 103 THR CB . 16135 1 1155 . 1 1 103 103 THR CG2 C 13 21.58 0.1 . 1 . . . . 103 THR CG2 . 16135 1 1156 . 1 1 103 103 THR N N 15 109.87 0.5 . 1 . . . . 103 THR N . 16135 1 1157 . 1 1 104 104 GLY H H 1 8.90 0.05 . 1 . . . . 104 GLY HN . 16135 1 1158 . 1 1 104 104 GLY HA2 H 1 3.36 0.05 . 2 . . . . 104 GLY HA1 . 16135 1 1159 . 1 1 104 104 GLY HA3 H 1 3.93 0.05 . 2 . . . . 104 GLY HA2 . 16135 1 1160 . 1 1 104 104 GLY C C 13 172.18 0.1 . 1 . . . . 104 GLY C . 16135 1 1161 . 1 1 104 104 GLY CA C 13 46.24 0.1 . 1 . . . . 104 GLY CA . 16135 1 1162 . 1 1 104 104 GLY N N 15 113.76 0.5 . 1 . . . . 104 GLY N . 16135 1 1163 . 1 1 105 105 ILE H H 1 7.57 0.05 . 1 . . . . 105 ILE HN . 16135 1 1164 . 1 1 105 105 ILE HA H 1 4.21 0.05 . 1 . . . . 105 ILE HA . 16135 1 1165 . 1 1 105 105 ILE HB H 1 1.75 0.05 . 1 . . . . 105 ILE HB . 16135 1 1166 . 1 1 105 105 ILE HD11 H 1 0.89 0.05 . 1 . . . . 105 ILE HD11 . 16135 1 1167 . 1 1 105 105 ILE HD12 H 1 0.89 0.05 . 1 . . . . 105 ILE HD12 . 16135 1 1168 . 1 1 105 105 ILE HD13 H 1 0.89 0.05 . 1 . . . . 105 ILE HD13 . 16135 1 1169 . 1 1 105 105 ILE HG21 H 1 0.94 0.05 . 1 . . . . 105 ILE HG21 . 16135 1 1170 . 1 1 105 105 ILE HG22 H 1 0.94 0.05 . 1 . . . . 105 ILE HG22 . 16135 1 1171 . 1 1 105 105 ILE HG23 H 1 0.94 0.05 . 1 . . . . 105 ILE HG23 . 16135 1 1172 . 1 1 105 105 ILE C C 13 180.72 0.1 . 1 . . . . 105 ILE C . 16135 1 1173 . 1 1 105 105 ILE CA C 13 62.85 0.1 . 1 . . . . 105 ILE CA . 16135 1 1174 . 1 1 105 105 ILE CB C 13 44.74 0.1 . 1 . . . . 105 ILE CB . 16135 1 1175 . 1 1 105 105 ILE CD1 C 13 13.36 0.1 . 1 . . . . 105 ILE CD1 . 16135 1 1176 . 1 1 105 105 ILE CG2 C 13 17.83 0.1 . 1 . . . . 105 ILE CG2 . 16135 1 1177 . 1 1 105 105 ILE N N 15 123.99 0.5 . 1 . . . . 105 ILE N . 16135 1 stop_ save_