data_26042 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26042 _Entry.Title ; Solution NMR structures of BRD4 ET domain with LANA peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-18 _Entry.Accession_date 2016-05-10 _Entry.Last_release_date 2016-06-30 _Entry.Original_release_date 2016-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _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.ORCID _Entry_author.Entry_ID 1 Lei Zeng . . . . 26042 2 MING-MING ZHOU . . . . 26042 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26042 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BET . 26042 BRD4 . 26042 ET . 26042 LANA . 26042 NSD3 . 26042 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26042 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 26042 '15N chemical shifts' 96 26042 '1H chemical shifts' 684 26042 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-12 2016-04-18 update BMRB 'update entry citation' 26042 1 . . 2016-06-30 2016-04-18 original author 'original release' 26042 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26041 'Solution NMR structures of BRD4 ET domain in complex with NSD3_1 peptide' 26042 BMRB 26043 'Solution NMR structures of BRD4 ET domain in complex with NSD3_3 peptide' 26042 PDB 2ND0 'BMRB Entry Tracking System' 26042 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26042 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27291650 _Citation.Full_citation . _Citation.Title ; Structural Mechanism of Transcriptional Regulator NSD3 Recognition by the ET Domain of BRD4 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 7 _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 1201 _Citation.Page_last 1208 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qiang Zhang . . . . 26042 1 2 Lei Zeng . . . . 26042 1 3 Chen Shen . . . . 26042 1 4 Ying Ju . . . . 26042 1 5 Tsuyoshi Konuma . . . . 26042 1 6 Chengcheng Zhao . . . . 26042 1 7 Christopher Vakoc . R. . . 26042 1 8 MING-MING ZHOU . . . . 26042 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26042 _Assembly.ID 1 _Assembly.Name 'BRD4 ET with LANA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 26042 1 2 entity_2 2 $entity_2 B . yes native no no . . . 26042 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26042 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SEEEDKCKPMSYEEKRQLSL DINKLPGEKLGRVVHIIQSR EPSLKNSNPDEIEIDFETLK PSTLRELERYVTSCLRKKRK PQA ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9745.218 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 SER . 26042 1 2 2 GLU . 26042 1 3 3 GLU . 26042 1 4 4 GLU . 26042 1 5 5 ASP . 26042 1 6 6 LYS . 26042 1 7 7 CYS . 26042 1 8 8 LYS . 26042 1 9 9 PRO . 26042 1 10 10 MET . 26042 1 11 11 SER . 26042 1 12 12 TYR . 26042 1 13 13 GLU . 26042 1 14 14 GLU . 26042 1 15 15 LYS . 26042 1 16 16 ARG . 26042 1 17 17 GLN . 26042 1 18 18 LEU . 26042 1 19 19 SER . 26042 1 20 20 LEU . 26042 1 21 21 ASP . 26042 1 22 22 ILE . 26042 1 23 23 ASN . 26042 1 24 24 LYS . 26042 1 25 25 LEU . 26042 1 26 26 PRO . 26042 1 27 27 GLY . 26042 1 28 28 GLU . 26042 1 29 29 LYS . 26042 1 30 30 LEU . 26042 1 31 31 GLY . 26042 1 32 32 ARG . 26042 1 33 33 VAL . 26042 1 34 34 VAL . 26042 1 35 35 HIS . 26042 1 36 36 ILE . 26042 1 37 37 ILE . 26042 1 38 38 GLN . 26042 1 39 39 SER . 26042 1 40 40 ARG . 26042 1 41 41 GLU . 26042 1 42 42 PRO . 26042 1 43 43 SER . 26042 1 44 44 LEU . 26042 1 45 45 LYS . 26042 1 46 46 ASN . 26042 1 47 47 SER . 26042 1 48 48 ASN . 26042 1 49 49 PRO . 26042 1 50 50 ASP . 26042 1 51 51 GLU . 26042 1 52 52 ILE . 26042 1 53 53 GLU . 26042 1 54 54 ILE . 26042 1 55 55 ASP . 26042 1 56 56 PHE . 26042 1 57 57 GLU . 26042 1 58 58 THR . 26042 1 59 59 LEU . 26042 1 60 60 LYS . 26042 1 61 61 PRO . 26042 1 62 62 SER . 26042 1 63 63 THR . 26042 1 64 64 LEU . 26042 1 65 65 ARG . 26042 1 66 66 GLU . 26042 1 67 67 LEU . 26042 1 68 68 GLU . 26042 1 69 69 ARG . 26042 1 70 70 TYR . 26042 1 71 71 VAL . 26042 1 72 72 THR . 26042 1 73 73 SER . 26042 1 74 74 CYS . 26042 1 75 75 LEU . 26042 1 76 76 ARG . 26042 1 77 77 LYS . 26042 1 78 78 LYS . 26042 1 79 79 ARG . 26042 1 80 80 LYS . 26042 1 81 81 PRO . 26042 1 82 82 GLN . 26042 1 83 83 ALA . 26042 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 . SER 1 1 26042 1 . GLU 2 2 26042 1 . GLU 3 3 26042 1 . GLU 4 4 26042 1 . ASP 5 5 26042 1 . LYS 6 6 26042 1 . CYS 7 7 26042 1 . LYS 8 8 26042 1 . PRO 9 9 26042 1 . MET 10 10 26042 1 . SER 11 11 26042 1 . TYR 12 12 26042 1 . GLU 13 13 26042 1 . GLU 14 14 26042 1 . LYS 15 15 26042 1 . ARG 16 16 26042 1 . GLN 17 17 26042 1 . LEU 18 18 26042 1 . SER 19 19 26042 1 . LEU 20 20 26042 1 . ASP 21 21 26042 1 . ILE 22 22 26042 1 . ASN 23 23 26042 1 . LYS 24 24 26042 1 . LEU 25 25 26042 1 . PRO 26 26 26042 1 . GLY 27 27 26042 1 . GLU 28 28 26042 1 . LYS 29 29 26042 1 . LEU 30 30 26042 1 . GLY 31 31 26042 1 . ARG 32 32 26042 1 . VAL 33 33 26042 1 . VAL 34 34 26042 1 . HIS 35 35 26042 1 . ILE 36 36 26042 1 . ILE 37 37 26042 1 . GLN 38 38 26042 1 . SER 39 39 26042 1 . ARG 40 40 26042 1 . GLU 41 41 26042 1 . PRO 42 42 26042 1 . SER 43 43 26042 1 . LEU 44 44 26042 1 . LYS 45 45 26042 1 . ASN 46 46 26042 1 . SER 47 47 26042 1 . ASN 48 48 26042 1 . PRO 49 49 26042 1 . ASP 50 50 26042 1 . GLU 51 51 26042 1 . ILE 52 52 26042 1 . GLU 53 53 26042 1 . ILE 54 54 26042 1 . ASP 55 55 26042 1 . PHE 56 56 26042 1 . GLU 57 57 26042 1 . THR 58 58 26042 1 . LEU 59 59 26042 1 . LYS 60 60 26042 1 . PRO 61 61 26042 1 . SER 62 62 26042 1 . THR 63 63 26042 1 . LEU 64 64 26042 1 . ARG 65 65 26042 1 . GLU 66 66 26042 1 . LEU 67 67 26042 1 . GLU 68 68 26042 1 . ARG 69 69 26042 1 . TYR 70 70 26042 1 . VAL 71 71 26042 1 . THR 72 72 26042 1 . SER 73 73 26042 1 . CYS 74 74 26042 1 . LEU 75 75 26042 1 . ARG 76 76 26042 1 . LYS 77 77 26042 1 . LYS 78 78 26042 1 . ARG 79 79 26042 1 . LYS 80 80 26042 1 . PRO 81 81 26042 1 . GLN 82 82 26042 1 . ALA 83 83 26042 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 26042 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NLQSSIVKFKKPLPLTQPG ; _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 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2098.530 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 199 ASN . 26042 2 2 200 LEU . 26042 2 3 201 GLN . 26042 2 4 202 SER . 26042 2 5 203 SER . 26042 2 6 204 ILE . 26042 2 7 205 VAL . 26042 2 8 206 LYS . 26042 2 9 207 PHE . 26042 2 10 208 LYS . 26042 2 11 209 LYS . 26042 2 12 210 PRO . 26042 2 13 211 LEU . 26042 2 14 212 PRO . 26042 2 15 213 LEU . 26042 2 16 214 THR . 26042 2 17 215 GLN . 26042 2 18 216 PRO . 26042 2 19 217 GLY . 26042 2 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 . ASN 1 1 26042 2 . LEU 2 2 26042 2 . GLN 3 3 26042 2 . SER 4 4 26042 2 . SER 5 5 26042 2 . ILE 6 6 26042 2 . VAL 7 7 26042 2 . LYS 8 8 26042 2 . PHE 9 9 26042 2 . LYS 10 10 26042 2 . LYS 11 11 26042 2 . PRO 12 12 26042 2 . LEU 13 13 26042 2 . PRO 14 14 26042 2 . LEU 15 15 26042 2 . THR 16 16 26042 2 . GLN 17 17 26042 2 . PRO 18 18 26042 2 . GLY 19 19 26042 2 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 26042 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26042 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26042 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 26042 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET32A . . . 26042 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 26042 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26042 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . protein . . . mM . . . . 26042 1 2 entity_2 'natural abundance' . . 2 $entity_2 . protein . . . mM . . . . 26042 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26042 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26042 1 5 DTT '[U-100% 2H]' . . . . . . 2 . . mM . . . . 26042 1 6 D2O [U-2H] . . . . . solvent 100 . . % . . . . 26042 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26042 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . protein . . . mM . . . . 26042 2 2 entity_2 'natural abundance' . . 2 $entity_2 . protein . . . mM . . . . 26042 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26042 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26042 2 5 DTT '[U-100% 2H]' . . . . . . 2 . . mM . . . . 26042 2 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26042 2 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 26042 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26042 _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 26042 1 pressure 1 . atm 26042 1 temperature 298 . K 26042 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 26042 _Sample_condition_list.ID 2 _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 26042 2 pressure 1 . atm 26042 2 temperature 298 . K 26042 2 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 26042 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 26042 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26042 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26042 _Software.ID 2 _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' . . 26042 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 26042 2 processing 26042 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26042 _Software.ID 3 _Software.Name NMRView _Software.Version 5.04 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26042 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26042 3 'data analysis' 26042 3 'peak picking' 26042 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 26042 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 26042 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26042 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26042 _Software.ID 5 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 26042 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 26042 5 refinement 26042 5 'structure solution' 26042 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26042 _Software.ID 6 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26042 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26042 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 26042 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 26042 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 26042 7 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 26042 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26042 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 26042 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 26042 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26042 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 26042 1 2 spectrometer_2 Bruker Avance . 900 . . . 26042 1 3 spectrometer_3 Bruker Avance . 600 . . . 26042 1 4 spectrometer_4 Bruker Avance . 500 . . . 26042 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 26042 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 26042 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 26042 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 26042 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 26042 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 26042 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26042 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26042 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26042 1 9 '3D filtered 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26042 1 10 '3D filtered 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26042 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 26042 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.77 na indirect 0.251449530 . . . . . 26042 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . 26042 1 N 15 water protons . . . . ppm 4.77 na indirect 0.101329118 . . . . . 26042 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26042 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 2 '3D HNCACB' 2 $sample_2 isotropic 26042 1 3 '3D CBCA(CO)NH' 2 $sample_2 isotropic 26042 1 4 '3D 1H-15N NOESY' 2 $sample_2 isotropic 26042 1 5 '3D 1H-15N TOCSY' 2 $sample_2 isotropic 26042 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.5500 0.04 . 1 . . . A 1 SER HA . 26042 1 2 . 1 1 1 1 SER HB2 H 1 3.8900 0.04 . 2 . . . A 1 SER HB2 . 26042 1 3 . 1 1 1 1 SER HB3 H 1 3.9600 0.04 . 2 . . . A 1 SER HB3 . 26042 1 4 . 1 1 1 1 SER CA C 13 58.9000 0.4 . 1 . . . A 1 SER CA . 26042 1 5 . 1 1 1 1 SER CB C 13 63.8600 0.4 . 1 . . . A 1 SER CB . 26042 1 6 . 1 1 2 2 GLU H H 1 8.5500 0.04 . 1 . . . A 2 GLU H . 26042 1 7 . 1 1 2 2 GLU HA H 1 4.2890 0.04 . 1 . . . A 2 GLU HA . 26042 1 8 . 1 1 2 2 GLU HB2 H 1 1.9600 0.04 . 2 . . . A 2 GLU HB2 . 26042 1 9 . 1 1 2 2 GLU HB3 H 1 2.0400 0.04 . 2 . . . A 2 GLU HB3 . 26042 1 10 . 1 1 2 2 GLU HG3 H 1 2.2800 0.04 . 2 . . . A 2 GLU HG3 . 26042 1 11 . 1 1 2 2 GLU CA C 13 57.7600 0.4 . 1 . . . A 2 GLU CA . 26042 1 12 . 1 1 2 2 GLU CB C 13 30.0000 0.4 . 1 . . . A 2 GLU CB . 26042 1 13 . 1 1 2 2 GLU CG C 13 36.4300 0.4 . 1 . . . A 2 GLU CG . 26042 1 14 . 1 1 2 2 GLU N N 15 122.0560 0.4 . 1 . . . A 2 GLU N . 26042 1 15 . 1 1 3 3 GLU H H 1 8.2560 0.04 . 1 . . . A 3 GLU H . 26042 1 16 . 1 1 3 3 GLU HA H 1 4.2570 0.04 . 1 . . . A 3 GLU HA . 26042 1 17 . 1 1 3 3 GLU HB2 H 1 1.9760 0.04 . 2 . . . A 3 GLU HB2 . 26042 1 18 . 1 1 3 3 GLU HB3 H 1 2.0600 0.04 . 2 . . . A 3 GLU HB3 . 26042 1 19 . 1 1 3 3 GLU HG3 H 1 2.2700 0.04 . 2 . . . A 3 GLU HG3 . 26042 1 20 . 1 1 3 3 GLU CA C 13 57.5000 0.4 . 1 . . . A 3 GLU CA . 26042 1 21 . 1 1 3 3 GLU CB C 13 30.1600 0.4 . 1 . . . A 3 GLU CB . 26042 1 22 . 1 1 3 3 GLU CG C 13 36.4300 0.4 . 1 . . . A 3 GLU CG . 26042 1 23 . 1 1 3 3 GLU N N 15 119.8600 0.4 . 1 . . . A 3 GLU N . 26042 1 24 . 1 1 4 4 GLU H H 1 8.3150 0.04 . 1 . . . A 4 GLU H . 26042 1 25 . 1 1 4 4 GLU HA H 1 4.2600 0.04 . 1 . . . A 4 GLU HA . 26042 1 26 . 1 1 4 4 GLU HB3 H 1 1.9830 0.04 . 2 . . . A 4 GLU HB3 . 26042 1 27 . 1 1 4 4 GLU HG3 H 1 2.2620 0.04 . 2 . . . A 4 GLU HG3 . 26042 1 28 . 1 1 4 4 GLU CA C 13 57.5700 0.4 . 1 . . . A 4 GLU CA . 26042 1 29 . 1 1 4 4 GLU CB C 13 30.3000 0.4 . 1 . . . A 4 GLU CB . 26042 1 30 . 1 1 4 4 GLU CG C 13 36.4400 0.4 . 1 . . . A 4 GLU CG . 26042 1 31 . 1 1 4 4 GLU N N 15 120.4600 0.4 . 1 . . . A 4 GLU N . 26042 1 32 . 1 1 5 5 ASP H H 1 8.3740 0.04 . 1 . . . A 5 ASP H . 26042 1 33 . 1 1 5 5 ASP HA H 1 4.5000 0.04 . 1 . . . A 5 ASP HA . 26042 1 34 . 1 1 5 5 ASP HB2 H 1 2.6770 0.04 . 2 . . . A 5 ASP HB2 . 26042 1 35 . 1 1 5 5 ASP HB3 H 1 2.7400 0.04 . 2 . . . A 5 ASP HB3 . 26042 1 36 . 1 1 5 5 ASP CA C 13 55.4300 0.4 . 1 . . . A 5 ASP CA . 26042 1 37 . 1 1 5 5 ASP CB C 13 41.1000 0.4 . 1 . . . A 5 ASP CB . 26042 1 38 . 1 1 5 5 ASP N N 15 119.5000 0.4 . 1 . . . A 5 ASP N . 26042 1 39 . 1 1 6 6 LYS H H 1 8.0000 0.04 . 1 . . . A 6 LYS H . 26042 1 40 . 1 1 6 6 LYS HA H 1 4.2670 0.04 . 1 . . . A 6 LYS HA . 26042 1 41 . 1 1 6 6 LYS HB2 H 1 1.8100 0.04 . 2 . . . A 6 LYS HB2 . 26042 1 42 . 1 1 6 6 LYS HB3 H 1 1.9400 0.04 . 2 . . . A 6 LYS HB3 . 26042 1 43 . 1 1 6 6 LYS HG3 H 1 1.5000 0.04 . 2 . . . A 6 LYS HG3 . 26042 1 44 . 1 1 6 6 LYS HD3 H 1 1.6870 0.04 . 2 . . . A 6 LYS HD3 . 26042 1 45 . 1 1 6 6 LYS CA C 13 56.9600 0.4 . 1 . . . A 6 LYS CA . 26042 1 46 . 1 1 6 6 LYS CB C 13 32.8000 0.4 . 1 . . . A 6 LYS CB . 26042 1 47 . 1 1 6 6 LYS CG C 13 25.1750 0.4 . 1 . . . A 6 LYS CG . 26042 1 48 . 1 1 6 6 LYS CD C 13 29.2000 0.4 . 1 . . . A 6 LYS CD . 26042 1 49 . 1 1 6 6 LYS N N 15 119.5600 0.4 . 1 . . . A 6 LYS N . 26042 1 50 . 1 1 7 7 CYS H H 1 8.0300 0.04 . 1 . . . A 7 CYS H . 26042 1 51 . 1 1 7 7 CYS HA H 1 4.3530 0.04 . 1 . . . A 7 CYS HA . 26042 1 52 . 1 1 7 7 CYS HB2 H 1 2.8000 0.04 . 2 . . . A 7 CYS HB2 . 26042 1 53 . 1 1 7 7 CYS HB3 H 1 2.8400 0.04 . 2 . . . A 7 CYS HB3 . 26042 1 54 . 1 1 7 7 CYS CA C 13 58.4040 0.4 . 1 . . . A 7 CYS CA . 26042 1 55 . 1 1 7 7 CYS CB C 13 28.1300 0.4 . 1 . . . A 7 CYS CB . 26042 1 56 . 1 1 7 7 CYS N N 15 117.6800 0.4 . 1 . . . A 7 CYS N . 26042 1 57 . 1 1 8 8 LYS H H 1 8.4030 0.04 . 1 . . . A 8 LYS H . 26042 1 58 . 1 1 8 8 LYS HA H 1 4.5620 0.04 . 1 . . . A 8 LYS HA . 26042 1 59 . 1 1 8 8 LYS HB3 H 1 1.7900 0.04 . 2 . . . A 8 LYS HB3 . 26042 1 60 . 1 1 8 8 LYS HG3 H 1 1.5390 0.04 . 2 . . . A 8 LYS HG3 . 26042 1 61 . 1 1 8 8 LYS HD3 H 1 1.6890 0.04 . 2 . . . A 8 LYS HD3 . 26042 1 62 . 1 1 8 8 LYS HE3 H 1 3.0090 0.04 . 2 . . . A 8 LYS HE3 . 26042 1 63 . 1 1 8 8 LYS CA C 13 54.4000 0.4 . 1 . . . A 8 LYS CA . 26042 1 64 . 1 1 8 8 LYS CB C 13 32.8700 0.4 . 1 . . . A 8 LYS CB . 26042 1 65 . 1 1 8 8 LYS CG C 13 24.7020 0.4 . 1 . . . A 8 LYS CG . 26042 1 66 . 1 1 8 8 LYS CD C 13 29.2000 0.4 . 1 . . . A 8 LYS CD . 26042 1 67 . 1 1 8 8 LYS N N 15 125.1700 0.4 . 1 . . . A 8 LYS N . 26042 1 68 . 1 1 9 9 PRO HA H 1 4.3280 0.04 . 1 . . . A 9 PRO HA . 26042 1 69 . 1 1 9 9 PRO HB2 H 1 1.8450 0.04 . 2 . . . A 9 PRO HB2 . 26042 1 70 . 1 1 9 9 PRO HB3 H 1 2.3650 0.04 . 2 . . . A 9 PRO HB3 . 26042 1 71 . 1 1 9 9 PRO HG2 H 1 1.9820 0.04 . 2 . . . A 9 PRO HG2 . 26042 1 72 . 1 1 9 9 PRO HG3 H 1 2.0800 0.04 . 2 . . . A 9 PRO HG3 . 26042 1 73 . 1 1 9 9 PRO HD2 H 1 3.6520 0.04 . 2 . . . A 9 PRO HD2 . 26042 1 74 . 1 1 9 9 PRO HD3 H 1 4.0260 0.04 . 2 . . . A 9 PRO HD3 . 26042 1 75 . 1 1 9 9 PRO CA C 13 63.4500 0.4 . 1 . . . A 9 PRO CA . 26042 1 76 . 1 1 9 9 PRO CB C 13 32.6000 0.4 . 1 . . . A 9 PRO CB . 26042 1 77 . 1 1 9 9 PRO CG C 13 27.6200 0.4 . 1 . . . A 9 PRO CG . 26042 1 78 . 1 1 9 9 PRO CD C 13 51.3020 0.4 . 1 . . . A 9 PRO CD . 26042 1 79 . 1 1 10 10 MET H H 1 8.5950 0.04 . 1 . . . A 10 MET H . 26042 1 80 . 1 1 10 10 MET HA H 1 4.6030 0.04 . 1 . . . A 10 MET HA . 26042 1 81 . 1 1 10 10 MET HB2 H 1 2.2700 0.04 . 2 . . . A 10 MET HB2 . 26042 1 82 . 1 1 10 10 MET HB3 H 1 2.5980 0.04 . 2 . . . A 10 MET HB3 . 26042 1 83 . 1 1 10 10 MET HG2 H 1 1.7170 0.04 . 2 . . . A 10 MET HG2 . 26042 1 84 . 1 1 10 10 MET HG3 H 1 2.1050 0.04 . 2 . . . A 10 MET HG3 . 26042 1 85 . 1 1 10 10 MET HE1 H 1 1.8140 0.04 . 1 . . . A 10 MET HE1 . 26042 1 86 . 1 1 10 10 MET HE2 H 1 1.8140 0.04 . 1 . . . A 10 MET HE2 . 26042 1 87 . 1 1 10 10 MET HE3 H 1 1.8140 0.04 . 1 . . . A 10 MET HE3 . 26042 1 88 . 1 1 10 10 MET CA C 13 56.5800 0.4 . 1 . . . A 10 MET CA . 26042 1 89 . 1 1 10 10 MET CB C 13 34.7800 0.4 . 1 . . . A 10 MET CB . 26042 1 90 . 1 1 10 10 MET CG C 13 35.9140 0.4 . 1 . . . A 10 MET CG . 26042 1 91 . 1 1 10 10 MET CE C 13 19.1060 0.4 . 1 . . . A 10 MET CE . 26042 1 92 . 1 1 10 10 MET N N 15 121.5640 0.4 . 1 . . . A 10 MET N . 26042 1 93 . 1 1 11 11 SER H H 1 9.1850 0.04 . 1 . . . A 11 SER H . 26042 1 94 . 1 1 11 11 SER HA H 1 4.5240 0.04 . 1 . . . A 11 SER HA . 26042 1 95 . 1 1 11 11 SER HB2 H 1 4.0810 0.04 . 2 . . . A 11 SER HB2 . 26042 1 96 . 1 1 11 11 SER HB3 H 1 4.4800 0.04 . 2 . . . A 11 SER HB3 . 26042 1 97 . 1 1 11 11 SER CA C 13 57.0600 0.4 . 1 . . . A 11 SER CA . 26042 1 98 . 1 1 11 11 SER CB C 13 65.8960 0.4 . 1 . . . A 11 SER CB . 26042 1 99 . 1 1 11 11 SER N N 15 119.1050 0.4 . 1 . . . A 11 SER N . 26042 1 100 . 1 1 12 12 TYR H H 1 9.0900 0.04 . 1 . . . A 12 TYR H . 26042 1 101 . 1 1 12 12 TYR HA H 1 4.1200 0.04 . 1 . . . A 12 TYR HA . 26042 1 102 . 1 1 12 12 TYR HB2 H 1 2.9780 0.04 . 2 . . . A 12 TYR HB2 . 26042 1 103 . 1 1 12 12 TYR HB3 H 1 3.2670 0.04 . 2 . . . A 12 TYR HB3 . 26042 1 104 . 1 1 12 12 TYR HD1 H 1 7.1400 0.04 . 3 . . . A 12 TYR HD1 . 26042 1 105 . 1 1 12 12 TYR HE1 H 1 6.8080 0.04 . 3 . . . A 12 TYR HE1 . 26042 1 106 . 1 1 12 12 TYR CA C 13 62.7030 0.4 . 1 . . . A 12 TYR CA . 26042 1 107 . 1 1 12 12 TYR CB C 13 38.2160 0.4 . 1 . . . A 12 TYR CB . 26042 1 108 . 1 1 12 12 TYR CD1 C 13 133.5780 0.4 . 3 . . . A 12 TYR CD1 . 26042 1 109 . 1 1 12 12 TYR CE1 C 13 118.3130 0.4 . 3 . . . A 12 TYR CE1 . 26042 1 110 . 1 1 12 12 TYR N N 15 121.0950 0.4 . 1 . . . A 12 TYR N . 26042 1 111 . 1 1 13 13 GLU H H 1 8.9500 0.04 . 1 . . . A 13 GLU H . 26042 1 112 . 1 1 13 13 GLU HA H 1 3.8200 0.04 . 1 . . . A 13 GLU HA . 26042 1 113 . 1 1 13 13 GLU HB2 H 1 1.9480 0.04 . 2 . . . A 13 GLU HB2 . 26042 1 114 . 1 1 13 13 GLU HB3 H 1 2.0820 0.04 . 2 . . . A 13 GLU HB3 . 26042 1 115 . 1 1 13 13 GLU HG2 H 1 2.3120 0.04 . 2 . . . A 13 GLU HG2 . 26042 1 116 . 1 1 13 13 GLU HG3 H 1 2.5160 0.04 . 2 . . . A 13 GLU HG3 . 26042 1 117 . 1 1 13 13 GLU CA C 13 60.3200 0.4 . 1 . . . A 13 GLU CA . 26042 1 118 . 1 1 13 13 GLU CB C 13 29.0600 0.4 . 1 . . . A 13 GLU CB . 26042 1 119 . 1 1 13 13 GLU CG C 13 36.7800 0.4 . 1 . . . A 13 GLU CG . 26042 1 120 . 1 1 13 13 GLU N N 15 118.5250 0.4 . 1 . . . A 13 GLU N . 26042 1 121 . 1 1 14 14 GLU H H 1 7.8460 0.04 . 1 . . . A 14 GLU H . 26042 1 122 . 1 1 14 14 GLU HA H 1 3.9680 0.04 . 1 . . . A 14 GLU HA . 26042 1 123 . 1 1 14 14 GLU HB2 H 1 1.9920 0.04 . 2 . . . A 14 GLU HB2 . 26042 1 124 . 1 1 14 14 GLU HB3 H 1 2.2650 0.04 . 2 . . . A 14 GLU HB3 . 26042 1 125 . 1 1 14 14 GLU HG2 H 1 2.2200 0.04 . 2 . . . A 14 GLU HG2 . 26042 1 126 . 1 1 14 14 GLU HG3 H 1 2.4400 0.04 . 2 . . . A 14 GLU HG3 . 26042 1 127 . 1 1 14 14 GLU CA C 13 59.6130 0.4 . 1 . . . A 14 GLU CA . 26042 1 128 . 1 1 14 14 GLU CB C 13 30.6000 0.4 . 1 . . . A 14 GLU CB . 26042 1 129 . 1 1 14 14 GLU CG C 13 38.2270 0.4 . 1 . . . A 14 GLU CG . 26042 1 130 . 1 1 14 14 GLU N N 15 120.0040 0.4 . 1 . . . A 14 GLU N . 26042 1 131 . 1 1 15 15 LYS H H 1 8.2010 0.04 . 1 . . . A 15 LYS H . 26042 1 132 . 1 1 15 15 LYS HA H 1 3.7850 0.04 . 1 . . . A 15 LYS HA . 26042 1 133 . 1 1 15 15 LYS HB2 H 1 1.7090 0.04 . 2 . . . A 15 LYS HB2 . 26042 1 134 . 1 1 15 15 LYS HB3 H 1 1.8910 0.04 . 2 . . . A 15 LYS HB3 . 26042 1 135 . 1 1 15 15 LYS HG2 H 1 1.2290 0.04 . 2 . . . A 15 LYS HG2 . 26042 1 136 . 1 1 15 15 LYS HG3 H 1 1.5300 0.04 . 2 . . . A 15 LYS HG3 . 26042 1 137 . 1 1 15 15 LYS HD2 H 1 1.5610 0.04 . 2 . . . A 15 LYS HD2 . 26042 1 138 . 1 1 15 15 LYS HD3 H 1 1.7250 0.04 . 2 . . . A 15 LYS HD3 . 26042 1 139 . 1 1 15 15 LYS HE2 H 1 2.7470 0.04 . 2 . . . A 15 LYS HE2 . 26042 1 140 . 1 1 15 15 LYS HE3 H 1 2.8110 0.04 . 2 . . . A 15 LYS HE3 . 26042 1 141 . 1 1 15 15 LYS CA C 13 60.4200 0.4 . 1 . . . A 15 LYS CA . 26042 1 142 . 1 1 15 15 LYS CB C 13 32.8390 0.4 . 1 . . . A 15 LYS CB . 26042 1 143 . 1 1 15 15 LYS CG C 13 27.8600 0.4 . 1 . . . A 15 LYS CG . 26042 1 144 . 1 1 15 15 LYS CD C 13 29.8480 0.4 . 1 . . . A 15 LYS CD . 26042 1 145 . 1 1 15 15 LYS CE C 13 41.8730 0.4 . 1 . . . A 15 LYS CE . 26042 1 146 . 1 1 15 15 LYS N N 15 120.3870 0.4 . 1 . . . A 15 LYS N . 26042 1 147 . 1 1 16 16 ARG H H 1 8.1620 0.04 . 1 . . . A 16 ARG H . 26042 1 148 . 1 1 16 16 ARG HA H 1 3.7570 0.04 . 1 . . . A 16 ARG HA . 26042 1 149 . 1 1 16 16 ARG HB2 H 1 1.4300 0.04 . 2 . . . A 16 ARG HB2 . 26042 1 150 . 1 1 16 16 ARG HB3 H 1 1.7260 0.04 . 2 . . . A 16 ARG HB3 . 26042 1 151 . 1 1 16 16 ARG HG2 H 1 1.3510 0.04 . 2 . . . A 16 ARG HG2 . 26042 1 152 . 1 1 16 16 ARG HG3 H 1 1.4770 0.04 . 2 . . . A 16 ARG HG3 . 26042 1 153 . 1 1 16 16 ARG HD2 H 1 3.0200 0.04 . 2 . . . A 16 ARG HD2 . 26042 1 154 . 1 1 16 16 ARG HD3 H 1 3.1420 0.04 . 2 . . . A 16 ARG HD3 . 26042 1 155 . 1 1 16 16 ARG CA C 13 59.0140 0.4 . 1 . . . A 16 ARG CA . 26042 1 156 . 1 1 16 16 ARG CB C 13 29.7600 0.4 . 1 . . . A 16 ARG CB . 26042 1 157 . 1 1 16 16 ARG CG C 13 26.9180 0.4 . 1 . . . A 16 ARG CG . 26042 1 158 . 1 1 16 16 ARG CD C 13 43.2530 0.4 . 1 . . . A 16 ARG CD . 26042 1 159 . 1 1 16 16 ARG N N 15 119.9400 0.4 . 1 . . . A 16 ARG N . 26042 1 160 . 1 1 17 17 GLN H H 1 8.0550 0.04 . 1 . . . A 17 GLN H . 26042 1 161 . 1 1 17 17 GLN HA H 1 3.7580 0.04 . 1 . . . A 17 GLN HA . 26042 1 162 . 1 1 17 17 GLN HB2 H 1 2.0360 0.04 . 2 . . . A 17 GLN HB2 . 26042 1 163 . 1 1 17 17 GLN HB3 H 1 2.1120 0.04 . 2 . . . A 17 GLN HB3 . 26042 1 164 . 1 1 17 17 GLN HG3 H 1 2.3720 0.04 . 2 . . . A 17 GLN HG3 . 26042 1 165 . 1 1 17 17 GLN HE21 H 1 7.8990 0.04 . 2 . . . A 17 GLN HE21 . 26042 1 166 . 1 1 17 17 GLN HE22 H 1 6.7950 0.04 . 2 . . . A 17 GLN HE22 . 26042 1 167 . 1 1 17 17 GLN CA C 13 58.6830 0.4 . 1 . . . A 17 GLN CA . 26042 1 168 . 1 1 17 17 GLN CB C 13 28.5900 0.4 . 1 . . . A 17 GLN CB . 26042 1 169 . 1 1 17 17 GLN CG C 13 33.5470 0.4 . 1 . . . A 17 GLN CG . 26042 1 170 . 1 1 17 17 GLN N N 15 118.4550 0.4 . 1 . . . A 17 GLN N . 26042 1 171 . 1 1 17 17 GLN NE2 N 15 116.0850 0.4 . 1 . . . A 17 GLN NE2 . 26042 1 172 . 1 1 18 18 LEU H H 1 7.9270 0.04 . 1 . . . A 18 LEU H . 26042 1 173 . 1 1 18 18 LEU HA H 1 4.2600 0.04 . 1 . . . A 18 LEU HA . 26042 1 174 . 1 1 18 18 LEU HB2 H 1 1.5050 0.04 . 2 . . . A 18 LEU HB2 . 26042 1 175 . 1 1 18 18 LEU HB3 H 1 1.9170 0.04 . 2 . . . A 18 LEU HB3 . 26042 1 176 . 1 1 18 18 LEU HG H 1 1.5230 0.04 . 1 . . . A 18 LEU HG . 26042 1 177 . 1 1 18 18 LEU HD11 H 1 0.7640 0.04 . 2 . . . A 18 LEU HD11 . 26042 1 178 . 1 1 18 18 LEU HD12 H 1 0.7640 0.04 . 2 . . . A 18 LEU HD12 . 26042 1 179 . 1 1 18 18 LEU HD13 H 1 0.7640 0.04 . 2 . . . A 18 LEU HD13 . 26042 1 180 . 1 1 18 18 LEU HD21 H 1 0.9430 0.04 . 2 . . . A 18 LEU HD21 . 26042 1 181 . 1 1 18 18 LEU HD22 H 1 0.9430 0.04 . 2 . . . A 18 LEU HD22 . 26042 1 182 . 1 1 18 18 LEU HD23 H 1 0.9430 0.04 . 2 . . . A 18 LEU HD23 . 26042 1 183 . 1 1 18 18 LEU CA C 13 58.0870 0.4 . 1 . . . A 18 LEU CA . 26042 1 184 . 1 1 18 18 LEU CB C 13 41.3580 0.4 . 1 . . . A 18 LEU CB . 26042 1 185 . 1 1 18 18 LEU CG C 13 27.0000 0.4 . 1 . . . A 18 LEU CG . 26042 1 186 . 1 1 18 18 LEU CD1 C 13 27.1550 0.4 . 1 . . . A 18 LEU CD1 . 26042 1 187 . 1 1 18 18 LEU CD2 C 13 23.3670 0.4 . 1 . . . A 18 LEU CD2 . 26042 1 188 . 1 1 18 18 LEU N N 15 119.4900 0.4 . 1 . . . A 18 LEU N . 26042 1 189 . 1 1 19 19 SER H H 1 7.7980 0.04 . 1 . . . A 19 SER H . 26042 1 190 . 1 1 19 19 SER HA H 1 3.8040 0.04 . 1 . . . A 19 SER HA . 26042 1 191 . 1 1 19 19 SER HB3 H 1 3.6200 0.04 . 2 . . . A 19 SER HB3 . 26042 1 192 . 1 1 19 19 SER CA C 13 61.7200 0.4 . 1 . . . A 19 SER CA . 26042 1 193 . 1 1 19 19 SER CB C 13 62.9330 0.4 . 1 . . . A 19 SER CB . 26042 1 194 . 1 1 19 19 SER N N 15 112.0410 0.4 . 1 . . . A 19 SER N . 26042 1 195 . 1 1 20 20 LEU H H 1 7.6890 0.04 . 1 . . . A 20 LEU H . 26042 1 196 . 1 1 20 20 LEU HA H 1 4.0380 0.04 . 1 . . . A 20 LEU HA . 26042 1 197 . 1 1 20 20 LEU HB2 H 1 1.4240 0.04 . 2 . . . A 20 LEU HB2 . 26042 1 198 . 1 1 20 20 LEU HB3 H 1 1.9160 0.04 . 2 . . . A 20 LEU HB3 . 26042 1 199 . 1 1 20 20 LEU HG H 1 1.7400 0.04 . 1 . . . A 20 LEU HG . 26042 1 200 . 1 1 20 20 LEU HD11 H 1 0.8300 0.04 . 2 . . . A 20 LEU HD11 . 26042 1 201 . 1 1 20 20 LEU HD12 H 1 0.8300 0.04 . 2 . . . A 20 LEU HD12 . 26042 1 202 . 1 1 20 20 LEU HD13 H 1 0.8300 0.04 . 2 . . . A 20 LEU HD13 . 26042 1 203 . 1 1 20 20 LEU HD21 H 1 0.8180 0.04 . 2 . . . A 20 LEU HD21 . 26042 1 204 . 1 1 20 20 LEU HD22 H 1 0.8180 0.04 . 2 . . . A 20 LEU HD22 . 26042 1 205 . 1 1 20 20 LEU HD23 H 1 0.8180 0.04 . 2 . . . A 20 LEU HD23 . 26042 1 206 . 1 1 20 20 LEU CA C 13 58.0480 0.4 . 1 . . . A 20 LEU CA . 26042 1 207 . 1 1 20 20 LEU CB C 13 41.8590 0.4 . 1 . . . A 20 LEU CB . 26042 1 208 . 1 1 20 20 LEU CG C 13 26.6820 0.4 . 1 . . . A 20 LEU CG . 26042 1 209 . 1 1 20 20 LEU CD1 C 13 25.2610 0.4 . 1 . . . A 20 LEU CD1 . 26042 1 210 . 1 1 20 20 LEU CD2 C 13 23.1610 0.4 . 1 . . . A 20 LEU CD2 . 26042 1 211 . 1 1 20 20 LEU N N 15 120.7100 0.4 . 1 . . . A 20 LEU N . 26042 1 212 . 1 1 21 21 ASP H H 1 8.5640 0.04 . 1 . . . A 21 ASP H . 26042 1 213 . 1 1 21 21 ASP HA H 1 4.3130 0.04 . 1 . . . A 21 ASP HA . 26042 1 214 . 1 1 21 21 ASP HB2 H 1 2.3900 0.04 . 2 . . . A 21 ASP HB2 . 26042 1 215 . 1 1 21 21 ASP HB3 H 1 2.8020 0.04 . 2 . . . A 21 ASP HB3 . 26042 1 216 . 1 1 21 21 ASP CA C 13 57.9120 0.4 . 1 . . . A 21 ASP CA . 26042 1 217 . 1 1 21 21 ASP CB C 13 40.4000 0.4 . 1 . . . A 21 ASP CB . 26042 1 218 . 1 1 21 21 ASP N N 15 120.9740 0.4 . 1 . . . A 21 ASP N . 26042 1 219 . 1 1 22 22 ILE H H 1 8.6360 0.04 . 1 . . . A 22 ILE H . 26042 1 220 . 1 1 22 22 ILE HA H 1 3.6450 0.04 . 1 . . . A 22 ILE HA . 26042 1 221 . 1 1 22 22 ILE HB H 1 2.0380 0.04 . 1 . . . A 22 ILE HB . 26042 1 222 . 1 1 22 22 ILE HG12 H 1 1.0820 0.04 . 1 . . . A 22 ILE HG12 . 26042 1 223 . 1 1 22 22 ILE HG13 H 1 2.0050 0.04 . 1 . . . A 22 ILE HG13 . 26042 1 224 . 1 1 22 22 ILE HG21 H 1 0.9160 0.04 . 1 . . . A 22 ILE HG21 . 26042 1 225 . 1 1 22 22 ILE HG22 H 1 0.9160 0.04 . 1 . . . A 22 ILE HG22 . 26042 1 226 . 1 1 22 22 ILE HG23 H 1 0.9160 0.04 . 1 . . . A 22 ILE HG23 . 26042 1 227 . 1 1 22 22 ILE HD11 H 1 0.9550 0.04 . 1 . . . A 22 ILE HD11 . 26042 1 228 . 1 1 22 22 ILE HD12 H 1 0.9550 0.04 . 1 . . . A 22 ILE HD12 . 26042 1 229 . 1 1 22 22 ILE HD13 H 1 0.9550 0.04 . 1 . . . A 22 ILE HD13 . 26042 1 230 . 1 1 22 22 ILE CA C 13 65.6150 0.4 . 1 . . . A 22 ILE CA . 26042 1 231 . 1 1 22 22 ILE CB C 13 37.8080 0.4 . 1 . . . A 22 ILE CB . 26042 1 232 . 1 1 22 22 ILE CG1 C 13 31.6500 0.4 . 1 . . . A 22 ILE CG1 . 26042 1 233 . 1 1 22 22 ILE CG2 C 13 17.5930 0.4 . 1 . . . A 22 ILE CG2 . 26042 1 234 . 1 1 22 22 ILE CD1 C 13 14.3900 0.4 . 1 . . . A 22 ILE CD1 . 26042 1 235 . 1 1 22 22 ILE N N 15 120.0660 0.4 . 1 . . . A 22 ILE N . 26042 1 236 . 1 1 23 23 ASN H H 1 7.4300 0.04 . 1 . . . A 23 ASN H . 26042 1 237 . 1 1 23 23 ASN HA H 1 4.6070 0.04 . 1 . . . A 23 ASN HA . 26042 1 238 . 1 1 23 23 ASN HB3 H 1 2.9010 0.04 . 2 . . . A 23 ASN HB3 . 26042 1 239 . 1 1 23 23 ASN HD21 H 1 7.5540 0.04 . 2 . . . A 23 ASN HD21 . 26042 1 240 . 1 1 23 23 ASN HD22 H 1 6.9350 0.04 . 2 . . . A 23 ASN HD22 . 26042 1 241 . 1 1 23 23 ASN CA C 13 55.3570 0.4 . 1 . . . A 23 ASN CA . 26042 1 242 . 1 1 23 23 ASN CB C 13 38.9000 0.4 . 1 . . . A 23 ASN CB . 26042 1 243 . 1 1 23 23 ASN N N 15 115.1210 0.4 . 1 . . . A 23 ASN N . 26042 1 244 . 1 1 23 23 ASN ND2 N 15 111.2700 0.4 . 1 . . . A 23 ASN ND2 . 26042 1 245 . 1 1 24 24 LYS H H 1 7.5970 0.04 . 1 . . . A 24 LYS H . 26042 1 246 . 1 1 24 24 LYS HA H 1 4.3580 0.04 . 1 . . . A 24 LYS HA . 26042 1 247 . 1 1 24 24 LYS HB3 H 1 2.0280 0.04 . 2 . . . A 24 LYS HB3 . 26042 1 248 . 1 1 24 24 LYS HG2 H 1 1.4900 0.04 . 2 . . . A 24 LYS HG2 . 26042 1 249 . 1 1 24 24 LYS HG3 H 1 1.7410 0.04 . 2 . . . A 24 LYS HG3 . 26042 1 250 . 1 1 24 24 LYS HD2 H 1 1.6750 0.04 . 2 . . . A 24 LYS HD2 . 26042 1 251 . 1 1 24 24 LYS HD3 H 1 1.7540 0.04 . 2 . . . A 24 LYS HD3 . 26042 1 252 . 1 1 24 24 LYS HE2 H 1 2.9130 0.04 . 2 . . . A 24 LYS HE2 . 26042 1 253 . 1 1 24 24 LYS HE3 H 1 2.9840 0.04 . 2 . . . A 24 LYS HE3 . 26042 1 254 . 1 1 24 24 LYS CA C 13 56.5190 0.4 . 1 . . . A 24 LYS CA . 26042 1 255 . 1 1 24 24 LYS CB C 13 33.7230 0.4 . 1 . . . A 24 LYS CB . 26042 1 256 . 1 1 24 24 LYS CG C 13 25.2690 0.4 . 1 . . . A 24 LYS CG . 26042 1 257 . 1 1 24 24 LYS CD C 13 29.7000 0.4 . 1 . . . A 24 LYS CD . 26042 1 258 . 1 1 24 24 LYS CE C 13 42.0690 0.4 . 1 . . . A 24 LYS CE . 26042 1 259 . 1 1 24 24 LYS N N 15 117.4270 0.4 . 1 . . . A 24 LYS N . 26042 1 260 . 1 1 25 25 LEU H H 1 7.5570 0.04 . 1 . . . A 25 LEU H . 26042 1 261 . 1 1 25 25 LEU HA H 1 4.3440 0.04 . 1 . . . A 25 LEU HA . 26042 1 262 . 1 1 25 25 LEU HB2 H 1 1.3530 0.04 . 2 . . . A 25 LEU HB2 . 26042 1 263 . 1 1 25 25 LEU HB3 H 1 2.0260 0.04 . 2 . . . A 25 LEU HB3 . 26042 1 264 . 1 1 25 25 LEU HG H 1 2.1500 0.04 . 1 . . . A 25 LEU HG . 26042 1 265 . 1 1 25 25 LEU HD11 H 1 1.0270 0.04 . 2 . . . A 25 LEU HD11 . 26042 1 266 . 1 1 25 25 LEU HD12 H 1 1.0270 0.04 . 2 . . . A 25 LEU HD12 . 26042 1 267 . 1 1 25 25 LEU HD13 H 1 1.0270 0.04 . 2 . . . A 25 LEU HD13 . 26042 1 268 . 1 1 25 25 LEU HD21 H 1 0.8440 0.04 . 2 . . . A 25 LEU HD21 . 26042 1 269 . 1 1 25 25 LEU HD22 H 1 0.8440 0.04 . 2 . . . A 25 LEU HD22 . 26042 1 270 . 1 1 25 25 LEU HD23 H 1 0.8440 0.04 . 2 . . . A 25 LEU HD23 . 26042 1 271 . 1 1 25 25 LEU CA C 13 53.6440 0.4 . 1 . . . A 25 LEU CA . 26042 1 272 . 1 1 25 25 LEU CB C 13 41.5920 0.4 . 1 . . . A 25 LEU CB . 26042 1 273 . 1 1 25 25 LEU CG C 13 26.4230 0.4 . 1 . . . A 25 LEU CG . 26042 1 274 . 1 1 25 25 LEU CD1 C 13 26.8670 0.4 . 1 . . . A 25 LEU CD1 . 26042 1 275 . 1 1 25 25 LEU CD2 C 13 23.6360 0.4 . 1 . . . A 25 LEU CD2 . 26042 1 276 . 1 1 25 25 LEU N N 15 120.3430 0.4 . 1 . . . A 25 LEU N . 26042 1 277 . 1 1 26 26 PRO HA H 1 4.6300 0.04 . 1 . . . A 26 PRO HA . 26042 1 278 . 1 1 26 26 PRO HB2 H 1 2.0750 0.04 . 2 . . . A 26 PRO HB2 . 26042 1 279 . 1 1 26 26 PRO HB3 H 1 2.5010 0.04 . 2 . . . A 26 PRO HB3 . 26042 1 280 . 1 1 26 26 PRO HG2 H 1 2.0490 0.04 . 2 . . . A 26 PRO HG2 . 26042 1 281 . 1 1 26 26 PRO HG3 H 1 2.1900 0.04 . 2 . . . A 26 PRO HG3 . 26042 1 282 . 1 1 26 26 PRO HD2 H 1 3.4100 0.04 . 2 . . . A 26 PRO HD2 . 26042 1 283 . 1 1 26 26 PRO HD3 H 1 3.9500 0.04 . 2 . . . A 26 PRO HD3 . 26042 1 284 . 1 1 26 26 PRO CA C 13 62.4000 0.4 . 1 . . . A 26 PRO CA . 26042 1 285 . 1 1 26 26 PRO CB C 13 32.8300 0.4 . 1 . . . A 26 PRO CB . 26042 1 286 . 1 1 26 26 PRO CG C 13 28.0380 0.4 . 1 . . . A 26 PRO CG . 26042 1 287 . 1 1 26 26 PRO CD C 13 50.5560 0.4 . 1 . . . A 26 PRO CD . 26042 1 288 . 1 1 27 27 GLY H H 1 8.9800 0.04 . 1 . . . A 27 GLY H . 26042 1 289 . 1 1 27 27 GLY HA2 H 1 3.8130 0.04 . 2 . . . A 27 GLY HA2 . 26042 1 290 . 1 1 27 27 GLY HA3 H 1 4.1100 0.04 . 2 . . . A 27 GLY HA3 . 26042 1 291 . 1 1 27 27 GLY CA C 13 48.0900 0.4 . 1 . . . A 27 GLY CA . 26042 1 292 . 1 1 27 27 GLY N N 15 109.5120 0.4 . 1 . . . A 27 GLY N . 26042 1 293 . 1 1 28 28 GLU H H 1 9.4620 0.04 . 1 . . . A 28 GLU H . 26042 1 294 . 1 1 28 28 GLU HA H 1 4.3260 0.04 . 1 . . . A 28 GLU HA . 26042 1 295 . 1 1 28 28 GLU HB2 H 1 2.1100 0.04 . 2 . . . A 28 GLU HB2 . 26042 1 296 . 1 1 28 28 GLU HB3 H 1 2.1600 0.04 . 2 . . . A 28 GLU HB3 . 26042 1 297 . 1 1 28 28 GLU HG2 H 1 2.3100 0.04 . 2 . . . A 28 GLU HG2 . 26042 1 298 . 1 1 28 28 GLU HG3 H 1 2.3670 0.04 . 2 . . . A 28 GLU HG3 . 26042 1 299 . 1 1 28 28 GLU CA C 13 59.2000 0.4 . 1 . . . A 28 GLU CA . 26042 1 300 . 1 1 28 28 GLU CB C 13 28.9500 0.4 . 1 . . . A 28 GLU CB . 26042 1 301 . 1 1 28 28 GLU CG C 13 36.3060 0.4 . 1 . . . A 28 GLU CG . 26042 1 302 . 1 1 28 28 GLU N N 15 119.3650 0.4 . 1 . . . A 28 GLU N . 26042 1 303 . 1 1 29 29 LYS H H 1 7.8560 0.04 . 1 . . . A 29 LYS H . 26042 1 304 . 1 1 29 29 LYS HA H 1 4.6450 0.04 . 1 . . . A 29 LYS HA . 26042 1 305 . 1 1 29 29 LYS HB2 H 1 2.0000 0.04 . 2 . . . A 29 LYS HB2 . 26042 1 306 . 1 1 29 29 LYS HB3 H 1 2.4210 0.04 . 2 . . . A 29 LYS HB3 . 26042 1 307 . 1 1 29 29 LYS HG2 H 1 1.5200 0.04 . 2 . . . A 29 LYS HG2 . 26042 1 308 . 1 1 29 29 LYS HG3 H 1 1.5900 0.04 . 2 . . . A 29 LYS HG3 . 26042 1 309 . 1 1 29 29 LYS HD3 H 1 1.7600 0.04 . 2 . . . A 29 LYS HD3 . 26042 1 310 . 1 1 29 29 LYS HE2 H 1 3.0150 0.04 . 2 . . . A 29 LYS HE2 . 26042 1 311 . 1 1 29 29 LYS HE3 H 1 3.0810 0.04 . 2 . . . A 29 LYS HE3 . 26042 1 312 . 1 1 29 29 LYS CA C 13 56.0000 0.4 . 1 . . . A 29 LYS CA . 26042 1 313 . 1 1 29 29 LYS CB C 13 33.0700 0.4 . 1 . . . A 29 LYS CB . 26042 1 314 . 1 1 29 29 LYS CG C 13 25.7350 0.4 . 1 . . . A 29 LYS CG . 26042 1 315 . 1 1 29 29 LYS CD C 13 28.2500 0.4 . 1 . . . A 29 LYS CD . 26042 1 316 . 1 1 29 29 LYS CE C 13 42.5400 0.4 . 1 . . . A 29 LYS CE . 26042 1 317 . 1 1 29 29 LYS N N 15 116.4700 0.4 . 1 . . . A 29 LYS N . 26042 1 318 . 1 1 30 30 LEU H H 1 7.9630 0.04 . 1 . . . A 30 LEU H . 26042 1 319 . 1 1 30 30 LEU HA H 1 4.1380 0.04 . 1 . . . A 30 LEU HA . 26042 1 320 . 1 1 30 30 LEU HB2 H 1 1.5200 0.04 . 2 . . . A 30 LEU HB2 . 26042 1 321 . 1 1 30 30 LEU HB3 H 1 1.7650 0.04 . 2 . . . A 30 LEU HB3 . 26042 1 322 . 1 1 30 30 LEU HG H 1 1.7000 0.04 . 1 . . . A 30 LEU HG . 26042 1 323 . 1 1 30 30 LEU HD11 H 1 0.9440 0.04 . 2 . . . A 30 LEU HD11 . 26042 1 324 . 1 1 30 30 LEU HD12 H 1 0.9440 0.04 . 2 . . . A 30 LEU HD12 . 26042 1 325 . 1 1 30 30 LEU HD13 H 1 0.9440 0.04 . 2 . . . A 30 LEU HD13 . 26042 1 326 . 1 1 30 30 LEU HD21 H 1 0.8860 0.04 . 2 . . . A 30 LEU HD21 . 26042 1 327 . 1 1 30 30 LEU HD22 H 1 0.8860 0.04 . 2 . . . A 30 LEU HD22 . 26042 1 328 . 1 1 30 30 LEU HD23 H 1 0.8860 0.04 . 2 . . . A 30 LEU HD23 . 26042 1 329 . 1 1 30 30 LEU CA C 13 57.9700 0.4 . 1 . . . A 30 LEU CA . 26042 1 330 . 1 1 30 30 LEU CB C 13 42.0700 0.4 . 1 . . . A 30 LEU CB . 26042 1 331 . 1 1 30 30 LEU CG C 13 27.2540 0.4 . 1 . . . A 30 LEU CG . 26042 1 332 . 1 1 30 30 LEU CD1 C 13 24.8600 0.4 . 1 . . . A 30 LEU CD1 . 26042 1 333 . 1 1 30 30 LEU CD2 C 13 24.0660 0.4 . 1 . . . A 30 LEU CD2 . 26042 1 334 . 1 1 30 30 LEU N N 15 121.7300 0.4 . 1 . . . A 30 LEU N . 26042 1 335 . 1 1 31 31 GLY H H 1 8.3200 0.04 . 1 . . . A 31 GLY H . 26042 1 336 . 1 1 31 31 GLY HA2 H 1 3.6600 0.04 . 2 . . . A 31 GLY HA2 . 26042 1 337 . 1 1 31 31 GLY HA3 H 1 3.9230 0.04 . 2 . . . A 31 GLY HA3 . 26042 1 338 . 1 1 31 31 GLY CA C 13 47.4200 0.4 . 1 . . . A 31 GLY CA . 26042 1 339 . 1 1 31 31 GLY N N 15 127.7300 0.4 . 1 . . . A 31 GLY N . 26042 1 340 . 1 1 32 32 ARG H H 1 7.5340 0.04 . 1 . . . A 32 ARG H . 26042 1 341 . 1 1 32 32 ARG HA H 1 4.0700 0.04 . 1 . . . A 32 ARG HA . 26042 1 342 . 1 1 32 32 ARG HB2 H 1 1.5950 0.04 . 2 . . . A 32 ARG HB2 . 26042 1 343 . 1 1 32 32 ARG HB3 H 1 1.7950 0.04 . 2 . . . A 32 ARG HB3 . 26042 1 344 . 1 1 32 32 ARG HG2 H 1 1.2420 0.04 . 2 . . . A 32 ARG HG2 . 26042 1 345 . 1 1 32 32 ARG HG3 H 1 1.3330 0.04 . 2 . . . A 32 ARG HG3 . 26042 1 346 . 1 1 32 32 ARG HD2 H 1 2.9910 0.04 . 2 . . . A 32 ARG HD2 . 26042 1 347 . 1 1 32 32 ARG HD3 H 1 3.0900 0.04 . 2 . . . A 32 ARG HD3 . 26042 1 348 . 1 1 32 32 ARG CA C 13 57.6500 0.4 . 1 . . . A 32 ARG CA . 26042 1 349 . 1 1 32 32 ARG CB C 13 29.2800 0.4 . 1 . . . A 32 ARG CB . 26042 1 350 . 1 1 32 32 ARG CG C 13 26.6800 0.4 . 1 . . . A 32 ARG CG . 26042 1 351 . 1 1 32 32 ARG CD C 13 42.5430 0.4 . 1 . . . A 32 ARG CD . 26042 1 352 . 1 1 32 32 ARG N N 15 120.2010 0.4 . 1 . . . A 32 ARG N . 26042 1 353 . 1 1 33 33 VAL H H 1 7.5100 0.04 . 1 . . . A 33 VAL H . 26042 1 354 . 1 1 33 33 VAL HA H 1 3.3270 0.04 . 1 . . . A 33 VAL HA . 26042 1 355 . 1 1 33 33 VAL HB H 1 2.6170 0.04 . 1 . . . A 33 VAL HB . 26042 1 356 . 1 1 33 33 VAL HG11 H 1 1.1620 0.04 . 2 . . . A 33 VAL HG11 . 26042 1 357 . 1 1 33 33 VAL HG12 H 1 1.1620 0.04 . 2 . . . A 33 VAL HG12 . 26042 1 358 . 1 1 33 33 VAL HG13 H 1 1.1620 0.04 . 2 . . . A 33 VAL HG13 . 26042 1 359 . 1 1 33 33 VAL HG21 H 1 0.9310 0.04 . 2 . . . A 33 VAL HG21 . 26042 1 360 . 1 1 33 33 VAL HG22 H 1 0.9310 0.04 . 2 . . . A 33 VAL HG22 . 26042 1 361 . 1 1 33 33 VAL HG23 H 1 0.9310 0.04 . 2 . . . A 33 VAL HG23 . 26042 1 362 . 1 1 33 33 VAL CA C 13 67.0500 0.4 . 1 . . . A 33 VAL CA . 26042 1 363 . 1 1 33 33 VAL CB C 13 31.2300 0.4 . 1 . . . A 33 VAL CB . 26042 1 364 . 1 1 33 33 VAL CG1 C 13 23.5570 0.4 . 1 . . . A 33 VAL CG1 . 26042 1 365 . 1 1 33 33 VAL CG2 C 13 21.1010 0.4 . 1 . . . A 33 VAL CG2 . 26042 1 366 . 1 1 33 33 VAL N N 15 119.2930 0.4 . 1 . . . A 33 VAL N . 26042 1 367 . 1 1 34 34 VAL H H 1 7.6330 0.04 . 1 . . . A 34 VAL H . 26042 1 368 . 1 1 34 34 VAL HA H 1 3.4650 0.04 . 1 . . . A 34 VAL HA . 26042 1 369 . 1 1 34 34 VAL HB H 1 2.1470 0.04 . 1 . . . A 34 VAL HB . 26042 1 370 . 1 1 34 34 VAL HG11 H 1 0.9970 0.04 . 2 . . . A 34 VAL HG11 . 26042 1 371 . 1 1 34 34 VAL HG12 H 1 0.9970 0.04 . 2 . . . A 34 VAL HG12 . 26042 1 372 . 1 1 34 34 VAL HG13 H 1 0.9970 0.04 . 2 . . . A 34 VAL HG13 . 26042 1 373 . 1 1 34 34 VAL HG21 H 1 0.9320 0.04 . 2 . . . A 34 VAL HG21 . 26042 1 374 . 1 1 34 34 VAL HG22 H 1 0.9320 0.04 . 2 . . . A 34 VAL HG22 . 26042 1 375 . 1 1 34 34 VAL HG23 H 1 0.9320 0.04 . 2 . . . A 34 VAL HG23 . 26042 1 376 . 1 1 34 34 VAL CA C 13 67.1000 0.4 . 1 . . . A 34 VAL CA . 26042 1 377 . 1 1 34 34 VAL CB C 13 31.5900 0.4 . 1 . . . A 34 VAL CB . 26042 1 378 . 1 1 34 34 VAL CG1 C 13 22.7400 0.4 . 1 . . . A 34 VAL CG1 . 26042 1 379 . 1 1 34 34 VAL CG2 C 13 21.5710 0.4 . 1 . . . A 34 VAL CG2 . 26042 1 380 . 1 1 34 34 VAL N N 15 116.6010 0.4 . 1 . . . A 34 VAL N . 26042 1 381 . 1 1 35 35 HIS H H 1 7.7410 0.04 . 1 . . . A 35 HIS H . 26042 1 382 . 1 1 35 35 HIS HA H 1 4.3000 0.04 . 1 . . . A 35 HIS HA . 26042 1 383 . 1 1 35 35 HIS HB2 H 1 3.1700 0.04 . 2 . . . A 35 HIS HB2 . 26042 1 384 . 1 1 35 35 HIS HB3 H 1 3.1440 0.04 . 2 . . . A 35 HIS HB3 . 26042 1 385 . 1 1 35 35 HIS HD2 H 1 6.8480 0.04 . 1 . . . A 35 HIS HD2 . 26042 1 386 . 1 1 35 35 HIS HE1 H 1 7.9100 0.04 . 1 . . . A 35 HIS HE1 . 26042 1 387 . 1 1 35 35 HIS CA C 13 60.1100 0.4 . 1 . . . A 35 HIS CA . 26042 1 388 . 1 1 35 35 HIS CB C 13 30.3200 0.4 . 1 . . . A 35 HIS CB . 26042 1 389 . 1 1 35 35 HIS CD2 C 13 119.7900 0.4 . 1 . . . A 35 HIS CD2 . 26042 1 390 . 1 1 35 35 HIS CE1 C 13 138.1600 0.4 . 1 . . . A 35 HIS CE1 . 26042 1 391 . 1 1 35 35 HIS N N 15 118.5910 0.4 . 1 . . . A 35 HIS N . 26042 1 392 . 1 1 36 36 ILE H H 1 8.4640 0.04 . 1 . . . A 36 ILE H . 26042 1 393 . 1 1 36 36 ILE HA H 1 3.4140 0.04 . 1 . . . A 36 ILE HA . 26042 1 394 . 1 1 36 36 ILE HB H 1 1.8870 0.04 . 1 . . . A 36 ILE HB . 26042 1 395 . 1 1 36 36 ILE HG12 H 1 0.9500 0.04 . 1 . . . A 36 ILE HG12 . 26042 1 396 . 1 1 36 36 ILE HG13 H 1 1.7510 0.04 . 1 . . . A 36 ILE HG13 . 26042 1 397 . 1 1 36 36 ILE HG21 H 1 0.7250 0.04 . 1 . . . A 36 ILE HG21 . 26042 1 398 . 1 1 36 36 ILE HG22 H 1 0.7250 0.04 . 1 . . . A 36 ILE HG22 . 26042 1 399 . 1 1 36 36 ILE HG23 H 1 0.7250 0.04 . 1 . . . A 36 ILE HG23 . 26042 1 400 . 1 1 36 36 ILE HD11 H 1 0.5320 0.04 . 1 . . . A 36 ILE HD11 . 26042 1 401 . 1 1 36 36 ILE HD12 H 1 0.5320 0.04 . 1 . . . A 36 ILE HD12 . 26042 1 402 . 1 1 36 36 ILE HD13 H 1 0.5320 0.04 . 1 . . . A 36 ILE HD13 . 26042 1 403 . 1 1 36 36 ILE CA C 13 66.1600 0.4 . 1 . . . A 36 ILE CA . 26042 1 404 . 1 1 36 36 ILE CB C 13 38.2900 0.4 . 1 . . . A 36 ILE CB . 26042 1 405 . 1 1 36 36 ILE CG1 C 13 29.5300 0.4 . 1 . . . A 36 ILE CG1 . 26042 1 406 . 1 1 36 36 ILE CG2 C 13 17.1060 0.4 . 1 . . . A 36 ILE CG2 . 26042 1 407 . 1 1 36 36 ILE CD1 C 13 14.1700 0.4 . 1 . . . A 36 ILE CD1 . 26042 1 408 . 1 1 36 36 ILE N N 15 121.4760 0.4 . 1 . . . A 36 ILE N . 26042 1 409 . 1 1 37 37 ILE H H 1 7.6910 0.04 . 1 . . . A 37 ILE H . 26042 1 410 . 1 1 37 37 ILE HA H 1 3.4040 0.04 . 1 . . . A 37 ILE HA . 26042 1 411 . 1 1 37 37 ILE HB H 1 1.8710 0.04 . 1 . . . A 37 ILE HB . 26042 1 412 . 1 1 37 37 ILE HG12 H 1 0.8280 0.04 . 1 . . . A 37 ILE HG12 . 26042 1 413 . 1 1 37 37 ILE HG13 H 1 1.8960 0.04 . 1 . . . A 37 ILE HG13 . 26042 1 414 . 1 1 37 37 ILE HG21 H 1 0.8310 0.04 . 1 . . . A 37 ILE HG21 . 26042 1 415 . 1 1 37 37 ILE HG22 H 1 0.8310 0.04 . 1 . . . A 37 ILE HG22 . 26042 1 416 . 1 1 37 37 ILE HG23 H 1 0.8310 0.04 . 1 . . . A 37 ILE HG23 . 26042 1 417 . 1 1 37 37 ILE HD11 H 1 0.7730 0.04 . 1 . . . A 37 ILE HD11 . 26042 1 418 . 1 1 37 37 ILE HD12 H 1 0.7730 0.04 . 1 . . . A 37 ILE HD12 . 26042 1 419 . 1 1 37 37 ILE HD13 H 1 0.7730 0.04 . 1 . . . A 37 ILE HD13 . 26042 1 420 . 1 1 37 37 ILE CA C 13 66.6300 0.4 . 1 . . . A 37 ILE CA . 26042 1 421 . 1 1 37 37 ILE CB C 13 38.3000 0.4 . 1 . . . A 37 ILE CB . 26042 1 422 . 1 1 37 37 ILE CG1 C 13 29.9900 0.4 . 1 . . . A 37 ILE CG1 . 26042 1 423 . 1 1 37 37 ILE CG2 C 13 18.3060 0.4 . 1 . . . A 37 ILE CG2 . 26042 1 424 . 1 1 37 37 ILE CD1 C 13 14.7200 0.4 . 1 . . . A 37 ILE CD1 . 26042 1 425 . 1 1 37 37 ILE N N 15 117.5000 0.4 . 1 . . . A 37 ILE N . 26042 1 426 . 1 1 38 38 GLN H H 1 8.7300 0.04 . 1 . . . A 38 GLN H . 26042 1 427 . 1 1 38 38 GLN HA H 1 3.8710 0.04 . 1 . . . A 38 GLN HA . 26042 1 428 . 1 1 38 38 GLN HB2 H 1 1.9400 0.04 . 2 . . . A 38 GLN HB2 . 26042 1 429 . 1 1 38 38 GLN HB3 H 1 2.0700 0.04 . 2 . . . A 38 GLN HB3 . 26042 1 430 . 1 1 38 38 GLN HG2 H 1 2.2000 0.04 . 2 . . . A 38 GLN HG2 . 26042 1 431 . 1 1 38 38 GLN HG3 H 1 2.4780 0.04 . 2 . . . A 38 GLN HG3 . 26042 1 432 . 1 1 38 38 GLN HE21 H 1 7.2610 0.04 . 2 . . . A 38 GLN HE21 . 26042 1 433 . 1 1 38 38 GLN HE22 H 1 6.5500 0.04 . 2 . . . A 38 GLN HE22 . 26042 1 434 . 1 1 38 38 GLN CA C 13 59.8500 0.4 . 1 . . . A 38 GLN CA . 26042 1 435 . 1 1 38 38 GLN CB C 13 29.2000 0.4 . 1 . . . A 38 GLN CB . 26042 1 436 . 1 1 38 38 GLN CG C 13 35.3760 0.4 . 1 . . . A 38 GLN CG . 26042 1 437 . 1 1 38 38 GLN N N 15 115.5400 0.4 . 1 . . . A 38 GLN N . 26042 1 438 . 1 1 38 38 GLN NE2 N 15 110.7570 0.4 . 1 . . . A 38 GLN NE2 . 26042 1 439 . 1 1 39 39 SER H H 1 7.9600 0.04 . 1 . . . A 39 SER H . 26042 1 440 . 1 1 39 39 SER HA H 1 4.1390 0.04 . 1 . . . A 39 SER HA . 26042 1 441 . 1 1 39 39 SER HB2 H 1 3.6550 0.04 . 2 . . . A 39 SER HB2 . 26042 1 442 . 1 1 39 39 SER HB3 H 1 3.8140 0.04 . 1 . . . A 39 SER HB3 . 26042 1 443 . 1 1 39 39 SER CA C 13 60.6960 0.4 . 1 . . . A 39 SER CA . 26042 1 444 . 1 1 39 39 SER CB C 13 63.5350 0.4 . 1 . . . A 39 SER CB . 26042 1 445 . 1 1 39 39 SER N N 15 110.6860 0.4 . 1 . . . A 39 SER N . 26042 1 446 . 1 1 40 40 ARG H H 1 7.4720 0.04 . 1 . . . A 40 ARG H . 26042 1 447 . 1 1 40 40 ARG HA H 1 4.3820 0.04 . 1 . . . A 40 ARG HA . 26042 1 448 . 1 1 40 40 ARG HB2 H 1 1.8130 0.04 . 2 . . . A 40 ARG HB2 . 26042 1 449 . 1 1 40 40 ARG HB3 H 1 2.0490 0.04 . 2 . . . A 40 ARG HB3 . 26042 1 450 . 1 1 40 40 ARG HG2 H 1 1.6540 0.04 . 2 . . . A 40 ARG HG2 . 26042 1 451 . 1 1 40 40 ARG HG3 H 1 1.8220 0.04 . 2 . . . A 40 ARG HG3 . 26042 1 452 . 1 1 40 40 ARG HD3 H 1 3.0950 0.04 . 2 . . . A 40 ARG HD3 . 26042 1 453 . 1 1 40 40 ARG CA C 13 56.2250 0.4 . 1 . . . A 40 ARG CA . 26042 1 454 . 1 1 40 40 ARG CB C 13 33.1600 0.4 . 1 . . . A 40 ARG CB . 26042 1 455 . 1 1 40 40 ARG CG C 13 27.8040 0.4 . 1 . . . A 40 ARG CG . 26042 1 456 . 1 1 40 40 ARG CD C 13 42.3930 0.4 . 1 . . . A 40 ARG CD . 26042 1 457 . 1 1 40 40 ARG N N 15 118.3250 0.4 . 1 . . . A 40 ARG N . 26042 1 458 . 1 1 41 41 GLU H H 1 7.7800 0.04 . 1 . . . A 41 GLU H . 26042 1 459 . 1 1 41 41 GLU HA H 1 4.8750 0.04 . 1 . . . A 41 GLU HA . 26042 1 460 . 1 1 41 41 GLU HB2 H 1 1.9360 0.04 . 2 . . . A 41 GLU HB2 . 26042 1 461 . 1 1 41 41 GLU HB3 H 1 2.0310 0.04 . 2 . . . A 41 GLU HB3 . 26042 1 462 . 1 1 41 41 GLU HG3 H 1 2.2490 0.04 . 2 . . . A 41 GLU HG3 . 26042 1 463 . 1 1 41 41 GLU CA C 13 53.2500 0.4 . 1 . . . A 41 GLU CA . 26042 1 464 . 1 1 41 41 GLU CB C 13 29.0700 0.4 . 1 . . . A 41 GLU CB . 26042 1 465 . 1 1 41 41 GLU CG C 13 35.6780 0.4 . 1 . . . A 41 GLU CG . 26042 1 466 . 1 1 41 41 GLU N N 15 118.2790 0.4 . 1 . . . A 41 GLU N . 26042 1 467 . 1 1 42 42 PRO HA H 1 4.4200 0.04 . 1 . . . A 42 PRO HA . 26042 1 468 . 1 1 42 42 PRO HB2 H 1 1.9910 0.04 . 2 . . . A 42 PRO HB2 . 26042 1 469 . 1 1 42 42 PRO HB3 H 1 2.3610 0.04 . 2 . . . A 42 PRO HB3 . 26042 1 470 . 1 1 42 42 PRO HG3 H 1 2.0150 0.04 . 2 . . . A 42 PRO HG3 . 26042 1 471 . 1 1 42 42 PRO HD2 H 1 3.5950 0.04 . 2 . . . A 42 PRO HD2 . 26042 1 472 . 1 1 42 42 PRO HD3 H 1 3.8400 0.04 . 2 . . . A 42 PRO HD3 . 26042 1 473 . 1 1 42 42 PRO CA C 13 64.7300 0.4 . 1 . . . A 42 PRO CA . 26042 1 474 . 1 1 42 42 PRO CB C 13 32.3030 0.4 . 1 . . . A 42 PRO CB . 26042 1 475 . 1 1 42 42 PRO CG C 13 27.7770 0.4 . 1 . . . A 42 PRO CG . 26042 1 476 . 1 1 42 42 PRO CD C 13 50.8800 0.4 . 1 . . . A 42 PRO CD . 26042 1 477 . 1 1 43 43 SER H H 1 8.3740 0.04 . 1 . . . A 43 SER H . 26042 1 478 . 1 1 43 43 SER HA H 1 4.4080 0.04 . 1 . . . A 43 SER HA . 26042 1 479 . 1 1 43 43 SER HB2 H 1 3.9100 0.04 . 2 . . . A 43 SER HB2 . 26042 1 480 . 1 1 43 43 SER HB3 H 1 3.9610 0.04 . 2 . . . A 43 SER HB3 . 26042 1 481 . 1 1 43 43 SER CA C 13 60.0350 0.4 . 1 . . . A 43 SER CA . 26042 1 482 . 1 1 43 43 SER CB C 13 63.2400 0.4 . 1 . . . A 43 SER CB . 26042 1 483 . 1 1 43 43 SER N N 15 112.0400 0.4 . 1 . . . A 43 SER N . 26042 1 484 . 1 1 44 44 LEU H H 1 7.9680 0.04 . 1 . . . A 44 LEU H . 26042 1 485 . 1 1 44 44 LEU HA H 1 4.4600 0.04 . 1 . . . A 44 LEU HA . 26042 1 486 . 1 1 44 44 LEU HB2 H 1 1.6400 0.04 . 2 . . . A 44 LEU HB2 . 26042 1 487 . 1 1 44 44 LEU HB3 H 1 1.6860 0.04 . 2 . . . A 44 LEU HB3 . 26042 1 488 . 1 1 44 44 LEU HG H 1 1.6760 0.04 . 1 . . . A 44 LEU HG . 26042 1 489 . 1 1 44 44 LEU HD11 H 1 0.8510 0.04 . 2 . . . A 44 LEU HD11 . 26042 1 490 . 1 1 44 44 LEU HD12 H 1 0.8510 0.04 . 2 . . . A 44 LEU HD12 . 26042 1 491 . 1 1 44 44 LEU HD13 H 1 0.8510 0.04 . 2 . . . A 44 LEU HD13 . 26042 1 492 . 1 1 44 44 LEU HD21 H 1 0.8420 0.04 . 2 . . . A 44 LEU HD21 . 26042 1 493 . 1 1 44 44 LEU HD22 H 1 0.8420 0.04 . 2 . . . A 44 LEU HD22 . 26042 1 494 . 1 1 44 44 LEU HD23 H 1 0.8420 0.04 . 2 . . . A 44 LEU HD23 . 26042 1 495 . 1 1 44 44 LEU CA C 13 54.5600 0.4 . 1 . . . A 44 LEU CA . 26042 1 496 . 1 1 44 44 LEU CB C 13 42.3600 0.4 . 1 . . . A 44 LEU CB . 26042 1 497 . 1 1 44 44 LEU CG C 13 26.9180 0.4 . 1 . . . A 44 LEU CG . 26042 1 498 . 1 1 44 44 LEU CD1 C 13 25.9710 0.4 . 1 . . . A 44 LEU CD1 . 26042 1 499 . 1 1 44 44 LEU CD2 C 13 23.1310 0.4 . 1 . . . A 44 LEU CD2 . 26042 1 500 . 1 1 44 44 LEU N N 15 121.6000 0.4 . 1 . . . A 44 LEU N . 26042 1 501 . 1 1 45 45 LYS H H 1 7.7700 0.04 . 1 . . . A 45 LYS H . 26042 1 502 . 1 1 45 45 LYS HA H 1 4.2000 0.04 . 1 . . . A 45 LYS HA . 26042 1 503 . 1 1 45 45 LYS HB2 H 1 1.7950 0.04 . 2 . . . A 45 LYS HB2 . 26042 1 504 . 1 1 45 45 LYS HB3 H 1 1.8370 0.04 . 2 . . . A 45 LYS HB3 . 26042 1 505 . 1 1 45 45 LYS HG3 H 1 1.4330 0.04 . 2 . . . A 45 LYS HG3 . 26042 1 506 . 1 1 45 45 LYS HD3 H 1 1.6600 0.04 . 2 . . . A 45 LYS HD3 . 26042 1 507 . 1 1 45 45 LYS HE3 H 1 2.9700 0.04 . 2 . . . A 45 LYS HE3 . 26042 1 508 . 1 1 45 45 LYS CA C 13 58.5000 0.4 . 1 . . . A 45 LYS CA . 26042 1 509 . 1 1 45 45 LYS CB C 13 33.1700 0.4 . 1 . . . A 45 LYS CB . 26042 1 510 . 1 1 45 45 LYS CG C 13 24.7800 0.4 . 1 . . . A 45 LYS CG . 26042 1 511 . 1 1 45 45 LYS CD C 13 28.9600 0.4 . 1 . . . A 45 LYS CD . 26042 1 512 . 1 1 45 45 LYS CE C 13 42.3000 0.4 . 1 . . . A 45 LYS CE . 26042 1 513 . 1 1 45 45 LYS N N 15 121.4000 0.4 . 1 . . . A 45 LYS N . 26042 1 514 . 1 1 46 46 ASN H H 1 8.3800 0.04 . 1 . . . A 46 ASN H . 26042 1 515 . 1 1 46 46 ASN HA H 1 4.8510 0.04 . 1 . . . A 46 ASN HA . 26042 1 516 . 1 1 46 46 ASN HB2 H 1 2.7450 0.04 . 2 . . . A 46 ASN HB2 . 26042 1 517 . 1 1 46 46 ASN HB3 H 1 2.8750 0.04 . 2 . . . A 46 ASN HB3 . 26042 1 518 . 1 1 46 46 ASN HD21 H 1 7.6020 0.04 . 2 . . . A 46 ASN HD21 . 26042 1 519 . 1 1 46 46 ASN HD22 H 1 6.9460 0.04 . 2 . . . A 46 ASN HD22 . 26042 1 520 . 1 1 46 46 ASN CA C 13 53.4000 0.4 . 1 . . . A 46 ASN CA . 26042 1 521 . 1 1 46 46 ASN CB C 13 38.9400 0.4 . 1 . . . A 46 ASN CB . 26042 1 522 . 1 1 46 46 ASN N N 15 116.1000 0.4 . 1 . . . A 46 ASN N . 26042 1 523 . 1 1 46 46 ASN ND2 N 15 112.5500 0.4 . 1 . . . A 46 ASN ND2 . 26042 1 524 . 1 1 47 47 SER H H 1 7.8200 0.04 . 1 . . . A 47 SER H . 26042 1 525 . 1 1 47 47 SER HA H 1 4.3900 0.04 . 1 . . . A 47 SER HA . 26042 1 526 . 1 1 47 47 SER HB2 H 1 3.7600 0.04 . 2 . . . A 47 SER HB2 . 26042 1 527 . 1 1 47 47 SER HB3 H 1 3.8500 0.04 . 2 . . . A 47 SER HB3 . 26042 1 528 . 1 1 47 47 SER CA C 13 59.1200 0.4 . 1 . . . A 47 SER CA . 26042 1 529 . 1 1 47 47 SER CB C 13 64.1300 0.4 . 1 . . . A 47 SER CB . 26042 1 530 . 1 1 47 47 SER N N 15 115.7660 0.4 . 1 . . . A 47 SER N . 26042 1 531 . 1 1 48 48 ASN H H 1 8.6500 0.04 . 1 . . . A 48 ASN H . 26042 1 532 . 1 1 48 48 ASN HA H 1 4.9800 0.04 . 1 . . . A 48 ASN HA . 26042 1 533 . 1 1 48 48 ASN HB2 H 1 2.7630 0.04 . 2 . . . A 48 ASN HB2 . 26042 1 534 . 1 1 48 48 ASN HB3 H 1 3.0350 0.04 . 2 . . . A 48 ASN HB3 . 26042 1 535 . 1 1 48 48 ASN HD21 H 1 7.7250 0.04 . 2 . . . A 48 ASN HD21 . 26042 1 536 . 1 1 48 48 ASN HD22 H 1 7.1020 0.04 . 2 . . . A 48 ASN HD22 . 26042 1 537 . 1 1 48 48 ASN CA C 13 51.4500 0.4 . 1 . . . A 48 ASN CA . 26042 1 538 . 1 1 48 48 ASN CB C 13 39.2800 0.4 . 1 . . . A 48 ASN CB . 26042 1 539 . 1 1 48 48 ASN N N 15 122.0620 0.4 . 1 . . . A 48 ASN N . 26042 1 540 . 1 1 48 48 ASN ND2 N 15 112.8100 0.4 . 1 . . . A 48 ASN ND2 . 26042 1 541 . 1 1 49 49 PRO HA H 1 4.2900 0.04 . 1 . . . A 49 PRO HA . 26042 1 542 . 1 1 49 49 PRO HB2 H 1 1.9870 0.04 . 2 . . . A 49 PRO HB2 . 26042 1 543 . 1 1 49 49 PRO HB3 H 1 2.2320 0.04 . 2 . . . A 49 PRO HB3 . 26042 1 544 . 1 1 49 49 PRO HG3 H 1 2.0200 0.04 . 2 . . . A 49 PRO HG3 . 26042 1 545 . 1 1 49 49 PRO HD2 H 1 3.8170 0.04 . 2 . . . A 49 PRO HD2 . 26042 1 546 . 1 1 49 49 PRO HD3 H 1 3.8560 0.04 . 2 . . . A 49 PRO HD3 . 26042 1 547 . 1 1 49 49 PRO CA C 13 64.8000 0.4 . 1 . . . A 49 PRO CA . 26042 1 548 . 1 1 49 49 PRO CB C 13 32.0500 0.4 . 1 . . . A 49 PRO CB . 26042 1 549 . 1 1 49 49 PRO CG C 13 27.2600 0.4 . 1 . . . A 49 PRO CG . 26042 1 550 . 1 1 49 49 PRO CD C 13 51.0650 0.4 . 1 . . . A 49 PRO CD . 26042 1 551 . 1 1 50 50 ASP H H 1 8.1330 0.04 . 1 . . . A 50 ASP H . 26042 1 552 . 1 1 50 50 ASP HA H 1 4.6220 0.04 . 1 . . . A 50 ASP HA . 26042 1 553 . 1 1 50 50 ASP HB2 H 1 2.6190 0.04 . 2 . . . A 50 ASP HB2 . 26042 1 554 . 1 1 50 50 ASP HB3 H 1 2.7590 0.04 . 2 . . . A 50 ASP HB3 . 26042 1 555 . 1 1 50 50 ASP CA C 13 55.1000 0.4 . 1 . . . A 50 ASP CA . 26042 1 556 . 1 1 50 50 ASP CB C 13 41.6000 0.4 . 1 . . . A 50 ASP CB . 26042 1 557 . 1 1 50 50 ASP N N 15 114.7570 0.4 . 1 . . . A 50 ASP N . 26042 1 558 . 1 1 51 51 GLU H H 1 7.7390 0.04 . 1 . . . A 51 GLU H . 26042 1 559 . 1 1 51 51 GLU HA H 1 4.4650 0.04 . 1 . . . A 51 GLU HA . 26042 1 560 . 1 1 51 51 GLU HB2 H 1 1.8620 0.04 . 2 . . . A 51 GLU HB2 . 26042 1 561 . 1 1 51 51 GLU HB3 H 1 2.0600 0.04 . 2 . . . A 51 GLU HB3 . 26042 1 562 . 1 1 51 51 GLU HG2 H 1 2.1000 0.04 . 2 . . . A 51 GLU HG2 . 26042 1 563 . 1 1 51 51 GLU HG3 H 1 2.1340 0.04 . 2 . . . A 51 GLU HG3 . 26042 1 564 . 1 1 51 51 GLU CA C 13 55.7040 0.4 . 1 . . . A 51 GLU CA . 26042 1 565 . 1 1 51 51 GLU CB C 13 30.0680 0.4 . 1 . . . A 51 GLU CB . 26042 1 566 . 1 1 51 51 GLU CG C 13 36.3800 0.4 . 1 . . . A 51 GLU CG . 26042 1 567 . 1 1 51 51 GLU N N 15 117.6300 0.4 . 1 . . . A 51 GLU N . 26042 1 568 . 1 1 52 52 ILE H H 1 7.6200 0.04 . 1 . . . A 52 ILE H . 26042 1 569 . 1 1 52 52 ILE HA H 1 4.0740 0.04 . 1 . . . A 52 ILE HA . 26042 1 570 . 1 1 52 52 ILE HB H 1 1.7060 0.04 . 1 . . . A 52 ILE HB . 26042 1 571 . 1 1 52 52 ILE HG12 H 1 1.0630 0.04 . 1 . . . A 52 ILE HG12 . 26042 1 572 . 1 1 52 52 ILE HG13 H 1 1.4840 0.04 . 1 . . . A 52 ILE HG13 . 26042 1 573 . 1 1 52 52 ILE HG21 H 1 0.7720 0.04 . 1 . . . A 52 ILE HG21 . 26042 1 574 . 1 1 52 52 ILE HG22 H 1 0.7720 0.04 . 1 . . . A 52 ILE HG22 . 26042 1 575 . 1 1 52 52 ILE HG23 H 1 0.7720 0.04 . 1 . . . A 52 ILE HG23 . 26042 1 576 . 1 1 52 52 ILE HD11 H 1 0.7570 0.04 . 1 . . . A 52 ILE HD11 . 26042 1 577 . 1 1 52 52 ILE HD12 H 1 0.7570 0.04 . 1 . . . A 52 ILE HD12 . 26042 1 578 . 1 1 52 52 ILE HD13 H 1 0.7570 0.04 . 1 . . . A 52 ILE HD13 . 26042 1 579 . 1 1 52 52 ILE CA C 13 61.7700 0.4 . 1 . . . A 52 ILE CA . 26042 1 580 . 1 1 52 52 ILE CB C 13 39.9900 0.4 . 1 . . . A 52 ILE CB . 26042 1 581 . 1 1 52 52 ILE CG1 C 13 27.8400 0.4 . 1 . . . A 52 ILE CG1 . 26042 1 582 . 1 1 52 52 ILE CG2 C 13 17.2600 0.4 . 1 . . . A 52 ILE CG2 . 26042 1 583 . 1 1 52 52 ILE CD1 C 13 13.8200 0.4 . 1 . . . A 52 ILE CD1 . 26042 1 584 . 1 1 52 52 ILE N N 15 120.3250 0.4 . 1 . . . A 52 ILE N . 26042 1 585 . 1 1 53 53 GLU H H 1 8.3360 0.04 . 1 . . . A 53 GLU H . 26042 1 586 . 1 1 53 53 GLU HA H 1 4.4530 0.04 . 1 . . . A 53 GLU HA . 26042 1 587 . 1 1 53 53 GLU HB2 H 1 1.8280 0.04 . 2 . . . A 53 GLU HB2 . 26042 1 588 . 1 1 53 53 GLU HB3 H 1 1.8900 0.04 . 2 . . . A 53 GLU HB3 . 26042 1 589 . 1 1 53 53 GLU HG2 H 1 2.0720 0.04 . 2 . . . A 53 GLU HG2 . 26042 1 590 . 1 1 53 53 GLU HG3 H 1 2.1540 0.04 . 2 . . . A 53 GLU HG3 . 26042 1 591 . 1 1 53 53 GLU CA C 13 55.0400 0.4 . 1 . . . A 53 GLU CA . 26042 1 592 . 1 1 53 53 GLU CB C 13 30.8200 0.4 . 1 . . . A 53 GLU CB . 26042 1 593 . 1 1 53 53 GLU CG C 13 36.3800 0.4 . 1 . . . A 53 GLU CG . 26042 1 594 . 1 1 53 53 GLU N N 15 126.7470 0.4 . 1 . . . A 53 GLU N . 26042 1 595 . 1 1 54 54 ILE H H 1 8.5580 0.04 . 1 . . . A 54 ILE H . 26042 1 596 . 1 1 54 54 ILE HA H 1 3.6850 0.04 . 1 . . . A 54 ILE HA . 26042 1 597 . 1 1 54 54 ILE HB H 1 1.5030 0.04 . 1 . . . A 54 ILE HB . 26042 1 598 . 1 1 54 54 ILE HG12 H 1 0.7500 0.04 . 1 . . . A 54 ILE HG12 . 26042 1 599 . 1 1 54 54 ILE HG13 H 1 1.3800 0.04 . 1 . . . A 54 ILE HG13 . 26042 1 600 . 1 1 54 54 ILE HG21 H 1 0.4330 0.04 . 1 . . . A 54 ILE HG21 . 26042 1 601 . 1 1 54 54 ILE HG22 H 1 0.4330 0.04 . 1 . . . A 54 ILE HG22 . 26042 1 602 . 1 1 54 54 ILE HG23 H 1 0.4330 0.04 . 1 . . . A 54 ILE HG23 . 26042 1 603 . 1 1 54 54 ILE HD11 H 1 0.6750 0.04 . 1 . . . A 54 ILE HD11 . 26042 1 604 . 1 1 54 54 ILE HD12 H 1 0.6750 0.04 . 1 . . . A 54 ILE HD12 . 26042 1 605 . 1 1 54 54 ILE HD13 H 1 0.6750 0.04 . 1 . . . A 54 ILE HD13 . 26042 1 606 . 1 1 54 54 ILE CA C 13 61.8000 0.4 . 1 . . . A 54 ILE CA . 26042 1 607 . 1 1 54 54 ILE CB C 13 38.3000 0.4 . 1 . . . A 54 ILE CB . 26042 1 608 . 1 1 54 54 ILE CG1 C 13 27.5130 0.4 . 1 . . . A 54 ILE CG1 . 26042 1 609 . 1 1 54 54 ILE CG2 C 13 18.0460 0.4 . 1 . . . A 54 ILE CG2 . 26042 1 610 . 1 1 54 54 ILE CD1 C 13 13.3130 0.4 . 1 . . . A 54 ILE CD1 . 26042 1 611 . 1 1 54 54 ILE N N 15 124.6400 0.4 . 1 . . . A 54 ILE N . 26042 1 612 . 1 1 55 55 ASP H H 1 8.5810 0.04 . 1 . . . A 55 ASP H . 26042 1 613 . 1 1 55 55 ASP HA H 1 4.9330 0.04 . 1 . . . A 55 ASP HA . 26042 1 614 . 1 1 55 55 ASP HB2 H 1 2.4150 0.04 . 2 . . . A 55 ASP HB2 . 26042 1 615 . 1 1 55 55 ASP HB3 H 1 2.9770 0.04 . 2 . . . A 55 ASP HB3 . 26042 1 616 . 1 1 55 55 ASP CA C 13 52.4190 0.4 . 1 . . . A 55 ASP CA . 26042 1 617 . 1 1 55 55 ASP CB C 13 41.2410 0.4 . 1 . . . A 55 ASP CB . 26042 1 618 . 1 1 55 55 ASP N N 15 126.3830 0.4 . 1 . . . A 55 ASP N . 26042 1 619 . 1 1 56 56 PHE H H 1 8.7500 0.04 . 1 . . . A 56 PHE H . 26042 1 620 . 1 1 56 56 PHE HA H 1 4.1030 0.04 . 1 . . . A 56 PHE HA . 26042 1 621 . 1 1 56 56 PHE HB2 H 1 3.0770 0.04 . 2 . . . A 56 PHE HB2 . 26042 1 622 . 1 1 56 56 PHE HB3 H 1 3.2600 0.04 . 2 . . . A 56 PHE HB3 . 26042 1 623 . 1 1 56 56 PHE HD1 H 1 7.1790 0.04 . 3 . . . A 56 PHE HD1 . 26042 1 624 . 1 1 56 56 PHE HE1 H 1 7.1470 0.04 . 3 . . . A 56 PHE HE1 . 26042 1 625 . 1 1 56 56 PHE HZ H 1 6.9470 0.04 . 1 . . . A 56 PHE HZ . 26042 1 626 . 1 1 56 56 PHE CA C 13 60.2600 0.4 . 1 . . . A 56 PHE CA . 26042 1 627 . 1 1 56 56 PHE CB C 13 38.2200 0.4 . 1 . . . A 56 PHE CB . 26042 1 628 . 1 1 56 56 PHE CD1 C 13 130.6000 0.4 . 3 . . . A 56 PHE CD1 . 26042 1 629 . 1 1 56 56 PHE CE1 C 13 130.8900 0.4 . 3 . . . A 56 PHE CE1 . 26042 1 630 . 1 1 56 56 PHE CZ C 13 128.6640 0.4 . 1 . . . A 56 PHE CZ . 26042 1 631 . 1 1 56 56 PHE N N 15 123.1360 0.4 . 1 . . . A 56 PHE N . 26042 1 632 . 1 1 57 57 GLU H H 1 8.4650 0.04 . 1 . . . A 57 GLU H . 26042 1 633 . 1 1 57 57 GLU HA H 1 4.2490 0.04 . 1 . . . A 57 GLU HA . 26042 1 634 . 1 1 57 57 GLU HB2 H 1 2.1750 0.04 . 2 . . . A 57 GLU HB2 . 26042 1 635 . 1 1 57 57 GLU HB3 H 1 2.2210 0.04 . 2 . . . A 57 GLU HB3 . 26042 1 636 . 1 1 57 57 GLU HG2 H 1 2.3950 0.04 . 2 . . . A 57 GLU HG2 . 26042 1 637 . 1 1 57 57 GLU HG3 H 1 2.4820 0.04 . 2 . . . A 57 GLU HG3 . 26042 1 638 . 1 1 57 57 GLU CA C 13 57.5500 0.4 . 1 . . . A 57 GLU CA . 26042 1 639 . 1 1 57 57 GLU CB C 13 29.6000 0.4 . 1 . . . A 57 GLU CB . 26042 1 640 . 1 1 57 57 GLU CG C 13 36.4550 0.4 . 1 . . . A 57 GLU CG . 26042 1 641 . 1 1 57 57 GLU N N 15 114.2100 0.4 . 1 . . . A 57 GLU N . 26042 1 642 . 1 1 58 58 THR H H 1 7.5130 0.04 . 1 . . . A 58 THR H . 26042 1 643 . 1 1 58 58 THR HA H 1 4.5060 0.04 . 1 . . . A 58 THR HA . 26042 1 644 . 1 1 58 58 THR HB H 1 4.4460 0.04 . 1 . . . A 58 THR HB . 26042 1 645 . 1 1 58 58 THR HG21 H 1 1.1580 0.04 . 1 . . . A 58 THR HG21 . 26042 1 646 . 1 1 58 58 THR HG22 H 1 1.1580 0.04 . 1 . . . A 58 THR HG22 . 26042 1 647 . 1 1 58 58 THR HG23 H 1 1.1580 0.04 . 1 . . . A 58 THR HG23 . 26042 1 648 . 1 1 58 58 THR CA C 13 61.4500 0.4 . 1 . . . A 58 THR CA . 26042 1 649 . 1 1 58 58 THR CB C 13 69.8400 0.4 . 1 . . . A 58 THR CB . 26042 1 650 . 1 1 58 58 THR CG2 C 13 21.7820 0.4 . 1 . . . A 58 THR CG2 . 26042 1 651 . 1 1 58 58 THR N N 15 128.2290 0.4 . 1 . . . A 58 THR N . 26042 1 652 . 1 1 59 59 LEU H H 1 6.7700 0.04 . 1 . . . A 59 LEU H . 26042 1 653 . 1 1 59 59 LEU HA H 1 4.4120 0.04 . 1 . . . A 59 LEU HA . 26042 1 654 . 1 1 59 59 LEU HB2 H 1 1.3210 0.04 . 2 . . . A 59 LEU HB2 . 26042 1 655 . 1 1 59 59 LEU HB3 H 1 1.6140 0.04 . 2 . . . A 59 LEU HB3 . 26042 1 656 . 1 1 59 59 LEU HG H 1 1.9090 0.04 . 1 . . . A 59 LEU HG . 26042 1 657 . 1 1 59 59 LEU HD11 H 1 0.6250 0.04 . 2 . . . A 59 LEU HD11 . 26042 1 658 . 1 1 59 59 LEU HD12 H 1 0.6250 0.04 . 2 . . . A 59 LEU HD12 . 26042 1 659 . 1 1 59 59 LEU HD13 H 1 0.6250 0.04 . 2 . . . A 59 LEU HD13 . 26042 1 660 . 1 1 59 59 LEU HD21 H 1 0.7670 0.04 . 2 . . . A 59 LEU HD21 . 26042 1 661 . 1 1 59 59 LEU HD22 H 1 0.7670 0.04 . 2 . . . A 59 LEU HD22 . 26042 1 662 . 1 1 59 59 LEU HD23 H 1 0.7670 0.04 . 2 . . . A 59 LEU HD23 . 26042 1 663 . 1 1 59 59 LEU CA C 13 54.3500 0.4 . 1 . . . A 59 LEU CA . 26042 1 664 . 1 1 59 59 LEU CB C 13 43.5000 0.4 . 1 . . . A 59 LEU CB . 26042 1 665 . 1 1 59 59 LEU CG C 13 26.4370 0.4 . 1 . . . A 59 LEU CG . 26042 1 666 . 1 1 59 59 LEU CD1 C 13 26.1740 0.4 . 1 . . . A 59 LEU CD1 . 26042 1 667 . 1 1 59 59 LEU CD2 C 13 23.6000 0.4 . 1 . . . A 59 LEU CD2 . 26042 1 668 . 1 1 59 59 LEU N N 15 120.4550 0.4 . 1 . . . A 59 LEU N . 26042 1 669 . 1 1 60 60 LYS H H 1 10.0700 0.04 . 1 . . . A 60 LYS H . 26042 1 670 . 1 1 60 60 LYS HA H 1 4.4700 0.04 . 1 . . . A 60 LYS HA . 26042 1 671 . 1 1 60 60 LYS HB2 H 1 1.8640 0.04 . 2 . . . A 60 LYS HB2 . 26042 1 672 . 1 1 60 60 LYS HB3 H 1 2.0500 0.04 . 2 . . . A 60 LYS HB3 . 26042 1 673 . 1 1 60 60 LYS HG2 H 1 1.6940 0.04 . 2 . . . A 60 LYS HG2 . 26042 1 674 . 1 1 60 60 LYS HG3 H 1 2.0600 0.04 . 2 . . . A 60 LYS HG3 . 26042 1 675 . 1 1 60 60 LYS HD2 H 1 1.7080 0.04 . 2 . . . A 60 LYS HD2 . 26042 1 676 . 1 1 60 60 LYS HD3 H 1 1.8240 0.04 . 2 . . . A 60 LYS HD3 . 26042 1 677 . 1 1 60 60 LYS HE3 H 1 3.0710 0.04 . 2 . . . A 60 LYS HE3 . 26042 1 678 . 1 1 60 60 LYS CA C 13 55.8060 0.4 . 1 . . . A 60 LYS CA . 26042 1 679 . 1 1 60 60 LYS CB C 13 32.1050 0.4 . 1 . . . A 60 LYS CB . 26042 1 680 . 1 1 60 60 LYS CG C 13 25.6460 0.4 . 1 . . . A 60 LYS CG . 26042 1 681 . 1 1 60 60 LYS CD C 13 29.5950 0.4 . 1 . . . A 60 LYS CD . 26042 1 682 . 1 1 60 60 LYS CE C 13 42.3800 0.4 . 1 . . . A 60 LYS CE . 26042 1 683 . 1 1 60 60 LYS N N 15 123.2660 0.4 . 1 . . . A 60 LYS N . 26042 1 684 . 1 1 61 61 PRO HA H 1 4.1930 0.04 . 1 . . . A 61 PRO HA . 26042 1 685 . 1 1 61 61 PRO HB2 H 1 1.9760 0.04 . 2 . . . A 61 PRO HB2 . 26042 1 686 . 1 1 61 61 PRO HB3 H 1 2.1540 0.04 . 2 . . . A 61 PRO HB3 . 26042 1 687 . 1 1 61 61 PRO HG2 H 1 2.1150 0.04 . 2 . . . A 61 PRO HG2 . 26042 1 688 . 1 1 61 61 PRO HG3 H 1 2.2920 0.04 . 2 . . . A 61 PRO HG3 . 26042 1 689 . 1 1 61 61 PRO HD2 H 1 3.9100 0.04 . 2 . . . A 61 PRO HD2 . 26042 1 690 . 1 1 61 61 PRO HD3 H 1 4.0200 0.04 . 2 . . . A 61 PRO HD3 . 26042 1 691 . 1 1 61 61 PRO CA C 13 66.4200 0.4 . 1 . . . A 61 PRO CA . 26042 1 692 . 1 1 61 61 PRO CB C 13 32.1100 0.4 . 1 . . . A 61 PRO CB . 26042 1 693 . 1 1 61 61 PRO CG C 13 27.9690 0.4 . 1 . . . A 61 PRO CG . 26042 1 694 . 1 1 61 61 PRO CD C 13 50.5600 0.4 . 1 . . . A 61 PRO CD . 26042 1 695 . 1 1 62 62 SER H H 1 8.5820 0.04 . 1 . . . A 62 SER H . 26042 1 696 . 1 1 62 62 SER HA H 1 4.3240 0.04 . 1 . . . A 62 SER HA . 26042 1 697 . 1 1 62 62 SER HB2 H 1 3.9500 0.04 . 2 . . . A 62 SER HB2 . 26042 1 698 . 1 1 62 62 SER HB3 H 1 4.0200 0.04 . 2 . . . A 62 SER HB3 . 26042 1 699 . 1 1 62 62 SER CA C 13 60.7200 0.4 . 1 . . . A 62 SER CA . 26042 1 700 . 1 1 62 62 SER CB C 13 61.9600 0.4 . 1 . . . A 62 SER CB . 26042 1 701 . 1 1 62 62 SER N N 15 109.6010 0.4 . 1 . . . A 62 SER N . 26042 1 702 . 1 1 63 63 THR H H 1 7.4240 0.04 . 1 . . . A 63 THR H . 26042 1 703 . 1 1 63 63 THR HA H 1 3.8070 0.04 . 1 . . . A 63 THR HA . 26042 1 704 . 1 1 63 63 THR HB H 1 4.5050 0.04 . 1 . . . A 63 THR HB . 26042 1 705 . 1 1 63 63 THR HG21 H 1 1.1790 0.04 . 1 . . . A 63 THR HG21 . 26042 1 706 . 1 1 63 63 THR HG22 H 1 1.1790 0.04 . 1 . . . A 63 THR HG22 . 26042 1 707 . 1 1 63 63 THR HG23 H 1 1.1790 0.04 . 1 . . . A 63 THR HG23 . 26042 1 708 . 1 1 63 63 THR CA C 13 65.9600 0.4 . 1 . . . A 63 THR CA . 26042 1 709 . 1 1 63 63 THR CB C 13 67.3500 0.4 . 1 . . . A 63 THR CB . 26042 1 710 . 1 1 63 63 THR CG2 C 13 24.5510 0.4 . 1 . . . A 63 THR CG2 . 26042 1 711 . 1 1 63 63 THR N N 15 122.1150 0.4 . 1 . . . A 63 THR N . 26042 1 712 . 1 1 64 64 LEU H H 1 7.9430 0.04 . 1 . . . A 64 LEU H . 26042 1 713 . 1 1 64 64 LEU HA H 1 3.7830 0.04 . 1 . . . A 64 LEU HA . 26042 1 714 . 1 1 64 64 LEU HB2 H 1 1.6690 0.04 . 2 . . . A 64 LEU HB2 . 26042 1 715 . 1 1 64 64 LEU HB3 H 1 1.9930 0.04 . 2 . . . A 64 LEU HB3 . 26042 1 716 . 1 1 64 64 LEU HG H 1 1.5700 0.04 . 1 . . . A 64 LEU HG . 26042 1 717 . 1 1 64 64 LEU HD11 H 1 0.9200 0.04 . 2 . . . A 64 LEU HD11 . 26042 1 718 . 1 1 64 64 LEU HD12 H 1 0.9200 0.04 . 2 . . . A 64 LEU HD12 . 26042 1 719 . 1 1 64 64 LEU HD13 H 1 0.9200 0.04 . 2 . . . A 64 LEU HD13 . 26042 1 720 . 1 1 64 64 LEU HD21 H 1 0.7610 0.04 . 2 . . . A 64 LEU HD21 . 26042 1 721 . 1 1 64 64 LEU HD22 H 1 0.7610 0.04 . 2 . . . A 64 LEU HD22 . 26042 1 722 . 1 1 64 64 LEU HD23 H 1 0.7610 0.04 . 2 . . . A 64 LEU HD23 . 26042 1 723 . 1 1 64 64 LEU CA C 13 58.7200 0.4 . 1 . . . A 64 LEU CA . 26042 1 724 . 1 1 64 64 LEU CB C 13 41.1220 0.4 . 1 . . . A 64 LEU CB . 26042 1 725 . 1 1 64 64 LEU CG C 13 26.9640 0.4 . 1 . . . A 64 LEU CG . 26042 1 726 . 1 1 64 64 LEU CD1 C 13 26.4220 0.4 . 1 . . . A 64 LEU CD1 . 26042 1 727 . 1 1 64 64 LEU CD2 C 13 24.5510 0.4 . 1 . . . A 64 LEU CD2 . 26042 1 728 . 1 1 64 64 LEU N N 15 120.3890 0.4 . 1 . . . A 64 LEU N . 26042 1 729 . 1 1 65 65 ARG H H 1 8.3700 0.04 . 1 . . . A 65 ARG H . 26042 1 730 . 1 1 65 65 ARG HA H 1 4.1820 0.04 . 1 . . . A 65 ARG HA . 26042 1 731 . 1 1 65 65 ARG HB2 H 1 1.9700 0.04 . 2 . . . A 65 ARG HB2 . 26042 1 732 . 1 1 65 65 ARG HB3 H 1 2.0720 0.04 . 2 . . . A 65 ARG HB3 . 26042 1 733 . 1 1 65 65 ARG HG2 H 1 1.8000 0.04 . 2 . . . A 65 ARG HG2 . 26042 1 734 . 1 1 65 65 ARG HG3 H 1 1.8430 0.04 . 2 . . . A 65 ARG HG3 . 26042 1 735 . 1 1 65 65 ARG HD2 H 1 3.1390 0.04 . 2 . . . A 65 ARG HD2 . 26042 1 736 . 1 1 65 65 ARG HD3 H 1 3.1730 0.04 . 2 . . . A 65 ARG HD3 . 26042 1 737 . 1 1 65 65 ARG CA C 13 57.8500 0.4 . 1 . . . A 65 ARG CA . 26042 1 738 . 1 1 65 65 ARG CB C 13 29.2400 0.4 . 1 . . . A 65 ARG CB . 26042 1 739 . 1 1 65 65 ARG CG C 13 26.4620 0.4 . 1 . . . A 65 ARG CG . 26042 1 740 . 1 1 65 65 ARG CD C 13 42.7800 0.4 . 1 . . . A 65 ARG CD . 26042 1 741 . 1 1 65 65 ARG N N 15 115.3810 0.4 . 1 . . . A 65 ARG N . 26042 1 742 . 1 1 66 66 GLU H H 1 7.8910 0.04 . 1 . . . A 66 GLU H . 26042 1 743 . 1 1 66 66 GLU HA H 1 4.2170 0.04 . 1 . . . A 66 GLU HA . 26042 1 744 . 1 1 66 66 GLU HB2 H 1 2.0650 0.04 . 2 . . . A 66 GLU HB2 . 26042 1 745 . 1 1 66 66 GLU HB3 H 1 2.1490 0.04 . 2 . . . A 66 GLU HB3 . 26042 1 746 . 1 1 66 66 GLU HG3 H 1 2.2860 0.04 . 2 . . . A 66 GLU HG3 . 26042 1 747 . 1 1 66 66 GLU CA C 13 59.7450 0.4 . 1 . . . A 66 GLU CA . 26042 1 748 . 1 1 66 66 GLU CB C 13 29.0200 0.4 . 1 . . . A 66 GLU CB . 26042 1 749 . 1 1 66 66 GLU CG C 13 35.9200 0.4 . 1 . . . A 66 GLU CG . 26042 1 750 . 1 1 66 66 GLU N N 15 122.2540 0.4 . 1 . . . A 66 GLU N . 26042 1 751 . 1 1 67 67 LEU H H 1 8.5010 0.04 . 1 . . . A 67 LEU H . 26042 1 752 . 1 1 67 67 LEU HA H 1 4.1380 0.04 . 1 . . . A 67 LEU HA . 26042 1 753 . 1 1 67 67 LEU HB2 H 1 1.3890 0.04 . 2 . . . A 67 LEU HB2 . 26042 1 754 . 1 1 67 67 LEU HB3 H 1 2.2430 0.04 . 2 . . . A 67 LEU HB3 . 26042 1 755 . 1 1 67 67 LEU HG H 1 1.9460 0.04 . 1 . . . A 67 LEU HG . 26042 1 756 . 1 1 67 67 LEU HD11 H 1 0.8380 0.04 . 2 . . . A 67 LEU HD11 . 26042 1 757 . 1 1 67 67 LEU HD12 H 1 0.8380 0.04 . 2 . . . A 67 LEU HD12 . 26042 1 758 . 1 1 67 67 LEU HD13 H 1 0.8380 0.04 . 2 . . . A 67 LEU HD13 . 26042 1 759 . 1 1 67 67 LEU HD21 H 1 0.9740 0.04 . 2 . . . A 67 LEU HD21 . 26042 1 760 . 1 1 67 67 LEU HD22 H 1 0.9740 0.04 . 2 . . . A 67 LEU HD22 . 26042 1 761 . 1 1 67 67 LEU HD23 H 1 0.9740 0.04 . 2 . . . A 67 LEU HD23 . 26042 1 762 . 1 1 67 67 LEU CA C 13 58.1860 0.4 . 1 . . . A 67 LEU CA . 26042 1 763 . 1 1 67 67 LEU CB C 13 42.5200 0.4 . 1 . . . A 67 LEU CB . 26042 1 764 . 1 1 67 67 LEU CG C 13 26.6800 0.4 . 1 . . . A 67 LEU CG . 26042 1 765 . 1 1 67 67 LEU CD1 C 13 25.7300 0.4 . 1 . . . A 67 LEU CD1 . 26042 1 766 . 1 1 67 67 LEU CD2 C 13 24.9800 0.4 . 1 . . . A 67 LEU CD2 . 26042 1 767 . 1 1 67 67 LEU N N 15 119.5470 0.4 . 1 . . . A 67 LEU N . 26042 1 768 . 1 1 68 68 GLU H H 1 8.6470 0.04 . 1 . . . A 68 GLU H . 26042 1 769 . 1 1 68 68 GLU HA H 1 3.8240 0.04 . 1 . . . A 68 GLU HA . 26042 1 770 . 1 1 68 68 GLU HB2 H 1 1.9420 0.04 . 2 . . . A 68 GLU HB2 . 26042 1 771 . 1 1 68 68 GLU HB3 H 1 2.3980 0.04 . 2 . . . A 68 GLU HB3 . 26042 1 772 . 1 1 68 68 GLU HG2 H 1 2.1070 0.04 . 2 . . . A 68 GLU HG2 . 26042 1 773 . 1 1 68 68 GLU HG3 H 1 2.2650 0.04 . 2 . . . A 68 GLU HG3 . 26042 1 774 . 1 1 68 68 GLU CA C 13 59.9820 0.4 . 1 . . . A 68 GLU CA . 26042 1 775 . 1 1 68 68 GLU CB C 13 30.3900 0.4 . 1 . . . A 68 GLU CB . 26042 1 776 . 1 1 68 68 GLU CG C 13 36.1800 0.4 . 1 . . . A 68 GLU CG . 26042 1 777 . 1 1 68 68 GLU N N 15 119.9400 0.4 . 1 . . . A 68 GLU N . 26042 1 778 . 1 1 69 69 ARG H H 1 8.1300 0.04 . 1 . . . A 69 ARG H . 26042 1 779 . 1 1 69 69 ARG HA H 1 3.9970 0.04 . 1 . . . A 69 ARG HA . 26042 1 780 . 1 1 69 69 ARG HB2 H 1 1.9590 0.04 . 2 . . . A 69 ARG HB2 . 26042 1 781 . 1 1 69 69 ARG HB3 H 1 2.0590 0.04 . 2 . . . A 69 ARG HB3 . 26042 1 782 . 1 1 69 69 ARG HG2 H 1 1.6200 0.04 . 2 . . . A 69 ARG HG2 . 26042 1 783 . 1 1 69 69 ARG HG3 H 1 1.9150 0.04 . 2 . . . A 69 ARG HG3 . 26042 1 784 . 1 1 69 69 ARG HD2 H 1 3.2500 0.04 . 2 . . . A 69 ARG HD2 . 26042 1 785 . 1 1 69 69 ARG HD3 H 1 3.3080 0.04 . 2 . . . A 69 ARG HD3 . 26042 1 786 . 1 1 69 69 ARG CA C 13 60.0600 0.4 . 1 . . . A 69 ARG CA . 26042 1 787 . 1 1 69 69 ARG CB C 13 30.5800 0.4 . 1 . . . A 69 ARG CB . 26042 1 788 . 1 1 69 69 ARG CG C 13 28.0380 0.4 . 1 . . . A 69 ARG CG . 26042 1 789 . 1 1 69 69 ARG CD C 13 43.6380 0.4 . 1 . . . A 69 ARG CD . 26042 1 790 . 1 1 69 69 ARG N N 15 119.7470 0.4 . 1 . . . A 69 ARG N . 26042 1 791 . 1 1 70 70 TYR H H 1 8.1740 0.04 . 1 . . . A 70 TYR H . 26042 1 792 . 1 1 70 70 TYR HA H 1 4.3210 0.04 . 1 . . . A 70 TYR HA . 26042 1 793 . 1 1 70 70 TYR HB2 H 1 2.9680 0.04 . 2 . . . A 70 TYR HB2 . 26042 1 794 . 1 1 70 70 TYR HB3 H 1 3.3560 0.04 . 2 . . . A 70 TYR HB3 . 26042 1 795 . 1 1 70 70 TYR HD2 H 1 6.9380 0.04 . 3 . . . A 70 TYR HD2 . 26042 1 796 . 1 1 70 70 TYR HE2 H 1 6.7400 0.04 . 3 . . . A 70 TYR HE2 . 26042 1 797 . 1 1 70 70 TYR CA C 13 61.6100 0.4 . 1 . . . A 70 TYR CA . 26042 1 798 . 1 1 70 70 TYR CB C 13 38.4560 0.4 . 1 . . . A 70 TYR CB . 26042 1 799 . 1 1 70 70 TYR CD2 C 13 132.5200 0.4 . 3 . . . A 70 TYR CD2 . 26042 1 800 . 1 1 70 70 TYR CE2 C 13 118.4400 0.4 . 3 . . . A 70 TYR CE2 . 26042 1 801 . 1 1 70 70 TYR N N 15 120.1220 0.4 . 1 . . . A 70 TYR N . 26042 1 802 . 1 1 71 71 VAL H H 1 9.2630 0.04 . 1 . . . A 71 VAL H . 26042 1 803 . 1 1 71 71 VAL HA H 1 3.2240 0.04 . 1 . . . A 71 VAL HA . 26042 1 804 . 1 1 71 71 VAL HB H 1 2.1440 0.04 . 1 . . . A 71 VAL HB . 26042 1 805 . 1 1 71 71 VAL HG11 H 1 1.1600 0.04 . 2 . . . A 71 VAL HG11 . 26042 1 806 . 1 1 71 71 VAL HG12 H 1 1.1600 0.04 . 2 . . . A 71 VAL HG12 . 26042 1 807 . 1 1 71 71 VAL HG13 H 1 1.1600 0.04 . 2 . . . A 71 VAL HG13 . 26042 1 808 . 1 1 71 71 VAL HG21 H 1 0.9300 0.04 . 2 . . . A 71 VAL HG21 . 26042 1 809 . 1 1 71 71 VAL HG22 H 1 0.9300 0.04 . 2 . . . A 71 VAL HG22 . 26042 1 810 . 1 1 71 71 VAL HG23 H 1 0.9300 0.04 . 2 . . . A 71 VAL HG23 . 26042 1 811 . 1 1 71 71 VAL CA C 13 67.5500 0.4 . 1 . . . A 71 VAL CA . 26042 1 812 . 1 1 71 71 VAL CB C 13 31.5200 0.4 . 1 . . . A 71 VAL CB . 26042 1 813 . 1 1 71 71 VAL CG1 C 13 23.9640 0.4 . 1 . . . A 71 VAL CG1 . 26042 1 814 . 1 1 71 71 VAL CG2 C 13 22.4200 0.4 . 1 . . . A 71 VAL CG2 . 26042 1 815 . 1 1 71 71 VAL N N 15 120.3870 0.4 . 1 . . . A 71 VAL N . 26042 1 816 . 1 1 72 72 THR H H 1 8.4140 0.04 . 1 . . . A 72 THR H . 26042 1 817 . 1 1 72 72 THR HA H 1 3.8080 0.04 . 1 . . . A 72 THR HA . 26042 1 818 . 1 1 72 72 THR HB H 1 4.2220 0.04 . 1 . . . A 72 THR HB . 26042 1 819 . 1 1 72 72 THR HG21 H 1 1.2090 0.04 . 1 . . . A 72 THR HG21 . 26042 1 820 . 1 1 72 72 THR HG22 H 1 1.2090 0.04 . 1 . . . A 72 THR HG22 . 26042 1 821 . 1 1 72 72 THR HG23 H 1 1.2090 0.04 . 1 . . . A 72 THR HG23 . 26042 1 822 . 1 1 72 72 THR CA C 13 67.0950 0.4 . 1 . . . A 72 THR CA . 26042 1 823 . 1 1 72 72 THR CB C 13 68.6250 0.4 . 1 . . . A 72 THR CB . 26042 1 824 . 1 1 72 72 THR CG2 C 13 21.8600 0.4 . 1 . . . A 72 THR CG2 . 26042 1 825 . 1 1 72 72 THR N N 15 114.7980 0.4 . 1 . . . A 72 THR N . 26042 1 826 . 1 1 73 73 SER H H 1 7.6170 0.04 . 1 . . . A 73 SER H . 26042 1 827 . 1 1 73 73 SER HA H 1 4.2350 0.04 . 1 . . . A 73 SER HA . 26042 1 828 . 1 1 73 73 SER HB3 H 1 4.0230 0.04 . 2 . . . A 73 SER HB3 . 26042 1 829 . 1 1 73 73 SER CA C 13 61.3050 0.4 . 1 . . . A 73 SER CA . 26042 1 830 . 1 1 73 73 SER CB C 13 62.9440 0.4 . 1 . . . A 73 SER CB . 26042 1 831 . 1 1 73 73 SER N N 15 116.0880 0.4 . 1 . . . A 73 SER N . 26042 1 832 . 1 1 74 74 CYS H H 1 7.6340 0.04 . 1 . . . A 74 CYS H . 26042 1 833 . 1 1 74 74 CYS HA H 1 4.1590 0.04 . 1 . . . A 74 CYS HA . 26042 1 834 . 1 1 74 74 CYS HB2 H 1 2.4420 0.04 . 2 . . . A 74 CYS HB2 . 26042 1 835 . 1 1 74 74 CYS HB3 H 1 2.8630 0.04 . 2 . . . A 74 CYS HB3 . 26042 1 836 . 1 1 74 74 CYS CA C 13 62.1200 0.4 . 1 . . . A 74 CYS CA . 26042 1 837 . 1 1 74 74 CYS CB C 13 27.8400 0.4 . 1 . . . A 74 CYS CB . 26042 1 838 . 1 1 74 74 CYS N N 15 118.0700 0.4 . 1 . . . A 74 CYS N . 26042 1 839 . 1 1 75 75 LEU H H 1 7.7740 0.04 . 1 . . . A 75 LEU H . 26042 1 840 . 1 1 75 75 LEU HA H 1 4.2640 0.04 . 1 . . . A 75 LEU HA . 26042 1 841 . 1 1 75 75 LEU HB2 H 1 1.5270 0.04 . 2 . . . A 75 LEU HB2 . 26042 1 842 . 1 1 75 75 LEU HB3 H 1 1.6770 0.04 . 2 . . . A 75 LEU HB3 . 26042 1 843 . 1 1 75 75 LEU HG H 1 1.6750 0.04 . 1 . . . A 75 LEU HG . 26042 1 844 . 1 1 75 75 LEU HD11 H 1 0.8200 0.04 . 2 . . . A 75 LEU HD11 . 26042 1 845 . 1 1 75 75 LEU HD12 H 1 0.8200 0.04 . 2 . . . A 75 LEU HD12 . 26042 1 846 . 1 1 75 75 LEU HD13 H 1 0.8200 0.04 . 2 . . . A 75 LEU HD13 . 26042 1 847 . 1 1 75 75 LEU HD21 H 1 0.7710 0.04 . 2 . . . A 75 LEU HD21 . 26042 1 848 . 1 1 75 75 LEU HD22 H 1 0.7710 0.04 . 2 . . . A 75 LEU HD22 . 26042 1 849 . 1 1 75 75 LEU HD23 H 1 0.7710 0.04 . 2 . . . A 75 LEU HD23 . 26042 1 850 . 1 1 75 75 LEU CA C 13 55.7000 0.4 . 1 . . . A 75 LEU CA . 26042 1 851 . 1 1 75 75 LEU CB C 13 42.9000 0.4 . 1 . . . A 75 LEU CB . 26042 1 852 . 1 1 75 75 LEU CG C 13 26.9180 0.4 . 1 . . . A 75 LEU CG . 26042 1 853 . 1 1 75 75 LEU CD1 C 13 25.7350 0.4 . 1 . . . A 75 LEU CD1 . 26042 1 854 . 1 1 75 75 LEU CD2 C 13 22.6400 0.4 . 1 . . . A 75 LEU CD2 . 26042 1 855 . 1 1 75 75 LEU N N 15 118.0040 0.4 . 1 . . . A 75 LEU N . 26042 1 856 . 1 1 76 76 ARG H H 1 7.8380 0.04 . 1 . . . A 76 ARG H . 26042 1 857 . 1 1 76 76 ARG HA H 1 4.2260 0.04 . 1 . . . A 76 ARG HA . 26042 1 858 . 1 1 76 76 ARG HB3 H 1 1.8600 0.04 . 2 . . . A 76 ARG HB3 . 26042 1 859 . 1 1 76 76 ARG HG3 H 1 1.6500 0.04 . 2 . . . A 76 ARG HG3 . 26042 1 860 . 1 1 76 76 ARG HD3 H 1 3.1700 0.04 . 2 . . . A 76 ARG HD3 . 26042 1 861 . 1 1 76 76 ARG CA C 13 57.1500 0.4 . 1 . . . A 76 ARG CA . 26042 1 862 . 1 1 76 76 ARG CB C 13 30.2700 0.4 . 1 . . . A 76 ARG CB . 26042 1 863 . 1 1 76 76 ARG CG C 13 27.3660 0.4 . 1 . . . A 76 ARG CG . 26042 1 864 . 1 1 76 76 ARG CD C 13 43.5240 0.4 . 1 . . . A 76 ARG CD . 26042 1 865 . 1 1 76 76 ARG N N 15 118.7200 0.4 . 1 . . . A 76 ARG N . 26042 1 866 . 1 1 77 77 LYS H H 1 7.9760 0.04 . 1 . . . A 77 LYS H . 26042 1 867 . 1 1 77 77 LYS HA H 1 4.2500 0.04 . 1 . . . A 77 LYS HA . 26042 1 868 . 1 1 77 77 LYS HB2 H 1 1.7450 0.04 . 2 . . . A 77 LYS HB2 . 26042 1 869 . 1 1 77 77 LYS HB3 H 1 1.8260 0.04 . 2 . . . A 77 LYS HB3 . 26042 1 870 . 1 1 77 77 LYS HG3 H 1 1.4400 0.04 . 2 . . . A 77 LYS HG3 . 26042 1 871 . 1 1 77 77 LYS HD3 H 1 1.6980 0.04 . 2 . . . A 77 LYS HD3 . 26042 1 872 . 1 1 77 77 LYS HE3 H 1 2.9680 0.04 . 2 . . . A 77 LYS HE3 . 26042 1 873 . 1 1 77 77 LYS CA C 13 56.4800 0.4 . 1 . . . A 77 LYS CA . 26042 1 874 . 1 1 77 77 LYS CB C 13 33.1900 0.4 . 1 . . . A 77 LYS CB . 26042 1 875 . 1 1 77 77 LYS CG C 13 24.7880 0.4 . 1 . . . A 77 LYS CG . 26042 1 876 . 1 1 77 77 LYS CD C 13 29.4300 0.4 . 1 . . . A 77 LYS CD . 26042 1 877 . 1 1 77 77 LYS N N 15 120.4680 0.4 . 1 . . . A 77 LYS N . 26042 1 878 . 1 1 78 78 LYS H H 1 8.2070 0.04 . 1 . . . A 78 LYS H . 26042 1 879 . 1 1 78 78 LYS HA H 1 4.2600 0.04 . 1 . . . A 78 LYS HA . 26042 1 880 . 1 1 78 78 LYS HB3 H 1 1.7600 0.04 . 2 . . . A 78 LYS HB3 . 26042 1 881 . 1 1 78 78 LYS HG3 H 1 1.4670 0.04 . 2 . . . A 78 LYS HG3 . 26042 1 882 . 1 1 78 78 LYS HD3 H 1 1.7010 0.04 . 2 . . . A 78 LYS HD3 . 26042 1 883 . 1 1 78 78 LYS CA C 13 56.5500 0.4 . 1 . . . A 78 LYS CA . 26042 1 884 . 1 1 78 78 LYS CB C 13 33.2100 0.4 . 1 . . . A 78 LYS CB . 26042 1 885 . 1 1 78 78 LYS CG C 13 25.0250 0.4 . 1 . . . A 78 LYS CG . 26042 1 886 . 1 1 78 78 LYS CD C 13 29.2860 0.4 . 1 . . . A 78 LYS CD . 26042 1 887 . 1 1 78 78 LYS N N 15 121.8500 0.4 . 1 . . . A 78 LYS N . 26042 1 888 . 1 1 79 79 ARG H H 1 8.3800 0.04 . 1 . . . A 79 ARG H . 26042 1 889 . 1 1 79 79 ARG HA H 1 4.3000 0.04 . 1 . . . A 79 ARG HA . 26042 1 890 . 1 1 79 79 ARG HB2 H 1 1.7420 0.04 . 2 . . . A 79 ARG HB2 . 26042 1 891 . 1 1 79 79 ARG HB3 H 1 1.8200 0.04 . 2 . . . A 79 ARG HB3 . 26042 1 892 . 1 1 79 79 ARG HG3 H 1 1.6270 0.04 . 2 . . . A 79 ARG HG3 . 26042 1 893 . 1 1 79 79 ARG HD3 H 1 3.1730 0.04 . 2 . . . A 79 ARG HD3 . 26042 1 894 . 1 1 79 79 ARG CA C 13 56.3100 0.4 . 1 . . . A 79 ARG CA . 26042 1 895 . 1 1 79 79 ARG CB C 13 31.1100 0.4 . 1 . . . A 79 ARG CB . 26042 1 896 . 1 1 79 79 ARG CG C 13 27.6300 0.4 . 1 . . . A 79 ARG CG . 26042 1 897 . 1 1 79 79 ARG CD C 13 43.4000 0.4 . 1 . . . A 79 ARG CD . 26042 1 898 . 1 1 79 79 ARG N N 15 122.4500 0.4 . 1 . . . A 79 ARG N . 26042 1 899 . 1 1 80 80 LYS H H 1 8.4240 0.04 . 1 . . . A 80 LYS H . 26042 1 900 . 1 1 80 80 LYS HA H 1 4.5820 0.04 . 1 . . . A 80 LYS HA . 26042 1 901 . 1 1 80 80 LYS HB3 H 1 1.7420 0.04 . 2 . . . A 80 LYS HB3 . 26042 1 902 . 1 1 80 80 LYS HG3 H 1 1.5800 0.04 . 2 . . . A 80 LYS HG3 . 26042 1 903 . 1 1 80 80 LYS HE3 H 1 2.9950 0.04 . 2 . . . A 80 LYS HE3 . 26042 1 904 . 1 1 80 80 LYS CA C 13 54.6400 0.4 . 1 . . . A 80 LYS CA . 26042 1 905 . 1 1 80 80 LYS CB C 13 32.6000 0.4 . 1 . . . A 80 LYS CB . 26042 1 906 . 1 1 80 80 LYS CG C 13 27.3300 0.4 . 1 . . . A 80 LYS CG . 26042 1 907 . 1 1 80 80 LYS CD C 13 29.2000 0.4 . 1 . . . A 80 LYS CD . 26042 1 908 . 1 1 80 80 LYS N N 15 123.9800 0.4 . 1 . . . A 80 LYS N . 26042 1 909 . 1 1 81 81 PRO HA H 1 4.4080 0.04 . 1 . . . A 81 PRO HA . 26042 1 910 . 1 1 81 81 PRO HB2 H 1 1.9360 0.04 . 2 . . . A 81 PRO HB2 . 26042 1 911 . 1 1 81 81 PRO HB3 H 1 2.3050 0.04 . 2 . . . A 81 PRO HB3 . 26042 1 912 . 1 1 81 81 PRO HG3 H 1 2.0070 0.04 . 2 . . . A 81 PRO HG3 . 26042 1 913 . 1 1 81 81 PRO HD2 H 1 3.6570 0.04 . 2 . . . A 81 PRO HD2 . 26042 1 914 . 1 1 81 81 PRO HD3 H 1 3.8290 0.04 . 2 . . . A 81 PRO HD3 . 26042 1 915 . 1 1 81 81 PRO CA C 13 63.3600 0.4 . 1 . . . A 81 PRO CA . 26042 1 916 . 1 1 81 81 PRO CB C 13 32.1600 0.4 . 1 . . . A 81 PRO CB . 26042 1 917 . 1 1 81 81 PRO CG C 13 27.7800 0.4 . 1 . . . A 81 PRO CG . 26042 1 918 . 1 1 81 81 PRO CD C 13 50.8200 0.4 . 1 . . . A 81 PRO CD . 26042 1 919 . 1 1 82 82 GLN H H 1 8.4490 0.04 . 1 . . . A 82 GLN H . 26042 1 920 . 1 1 82 82 GLN HA H 1 4.4070 0.04 . 1 . . . A 82 GLN HA . 26042 1 921 . 1 1 82 82 GLN HB2 H 1 1.7520 0.04 . 2 . . . A 82 GLN HB2 . 26042 1 922 . 1 1 82 82 GLN HB3 H 1 2.1120 0.04 . 2 . . . A 82 GLN HB3 . 26042 1 923 . 1 1 82 82 GLN HG3 H 1 1.9100 0.04 . 2 . . . A 82 GLN HG3 . 26042 1 924 . 1 1 82 82 GLN CA C 13 56.0600 0.4 . 1 . . . A 82 GLN CA . 26042 1 925 . 1 1 82 82 GLN CB C 13 29.8300 0.4 . 1 . . . A 82 GLN CB . 26042 1 926 . 1 1 82 82 GLN CG C 13 35.0000 0.4 . 1 . . . A 82 GLN CG . 26042 1 927 . 1 1 82 82 GLN N N 15 120.6280 0.4 . 1 . . . A 82 GLN N . 26042 1 928 . 1 1 83 83 ALA H H 1 8.0000 0.04 . 1 . . . A 83 ALA H . 26042 1 929 . 1 1 83 83 ALA HA H 1 4.1000 0.04 . 1 . . . A 83 ALA HA . 26042 1 930 . 1 1 83 83 ALA HB1 H 1 1.3280 0.04 . 1 . . . A 83 ALA HB1 . 26042 1 931 . 1 1 83 83 ALA HB2 H 1 1.3280 0.04 . 1 . . . A 83 ALA HB2 . 26042 1 932 . 1 1 83 83 ALA HB3 H 1 1.3280 0.04 . 1 . . . A 83 ALA HB3 . 26042 1 933 . 1 1 83 83 ALA CA C 13 54.2200 0.4 . 1 . . . A 83 ALA CA . 26042 1 934 . 1 1 83 83 ALA CB C 13 20.3700 0.4 . 1 . . . A 83 ALA CB . 26042 1 935 . 1 1 83 83 ALA N N 15 108.9600 0.4 . 1 . . . A 83 ALA N . 26042 1 936 . 2 2 1 1 ASN HA H 1 4.7600 0.04 . 1 . . . B 199 ASN HA . 26042 1 937 . 2 2 1 1 ASN HB2 H 1 2.7950 0.04 . 2 . . . B 199 ASN HB2 . 26042 1 938 . 2 2 1 1 ASN HB3 H 1 2.8600 0.04 . 2 . . . B 199 ASN HB3 . 26042 1 939 . 2 2 1 1 ASN CA C 13 53.4600 0.4 . 1 . . . B 199 ASN CA . 26042 1 940 . 2 2 1 1 ASN CB C 13 39.0310 0.4 . 1 . . . B 199 ASN CB . 26042 1 941 . 2 2 1 1 ASN N N 15 118.2700 0.4 . 1 . . . B 199 ASN N . 26042 1 942 . 2 2 2 2 LEU H H 1 8.3000 0.04 . 1 . . . B 200 LEU HN . 26042 1 943 . 2 2 2 2 LEU HA H 1 4.3860 0.04 . 1 . . . B 200 LEU HA . 26042 1 944 . 2 2 2 2 LEU HB3 H 1 1.6710 0.04 . 2 . . . B 200 LEU HB3 . 26042 1 945 . 2 2 2 2 LEU HD11 H 1 0.9710 0.04 . 2 . . . B 200 LEU HD11 . 26042 1 946 . 2 2 2 2 LEU HD12 H 1 0.9710 0.04 . 2 . . . B 200 LEU HD11 . 26042 1 947 . 2 2 2 2 LEU HD13 H 1 0.9710 0.04 . 2 . . . B 200 LEU HD11 . 26042 1 948 . 2 2 2 2 LEU HD21 H 1 0.9710 0.04 . 2 . . . B 200 LEU HD21 . 26042 1 949 . 2 2 2 2 LEU HD22 H 1 0.9710 0.04 . 2 . . . B 200 LEU HD21 . 26042 1 950 . 2 2 2 2 LEU HD23 H 1 0.9710 0.04 . 2 . . . B 200 LEU HD21 . 26042 1 951 . 2 2 2 2 LEU CA C 13 55.6580 0.4 . 1 . . . B 200 LEU CA . 26042 1 952 . 2 2 2 2 LEU CB C 13 42.3930 0.4 . 1 . . . B 200 LEU CB . 26042 1 953 . 2 2 2 2 LEU N N 15 122.4900 0.4 . 1 . . . B 200 LEU N . 26042 1 954 . 2 2 3 3 GLN H H 1 8.5840 0.04 . 1 . . . B 201 GLN HN . 26042 1 955 . 2 2 3 3 GLN HA H 1 4.3320 0.04 . 1 . . . B 201 GLN HA . 26042 1 956 . 2 2 3 3 GLN HB2 H 1 1.9800 0.04 . 2 . . . B 201 GLN HB2 . 26042 1 957 . 2 2 3 3 GLN HB3 H 1 2.0900 0.04 . 2 . . . B 201 GLN HB3 . 26042 1 958 . 2 2 3 3 GLN HG3 H 1 2.3400 0.04 . 2 . . . B 201 GLN HG3 . 26042 1 959 . 2 2 3 3 GLN CA C 13 57.5420 0.4 . 1 . . . B 201 GLN CA . 26042 1 960 . 2 2 3 3 GLN CB C 13 30.7550 0.4 . 1 . . . B 201 GLN CB . 26042 1 961 . 2 2 3 3 GLN CG C 13 34.3900 0.4 . 1 . . . B 201 GLN CG . 26042 1 962 . 2 2 3 3 GLN N N 15 125.5340 0.4 . 1 . . . B 201 GLN N . 26042 1 963 . 2 2 4 4 SER H H 1 8.3770 0.04 . 1 . . . B 202 SER HN . 26042 1 964 . 2 2 4 4 SER HA H 1 4.4450 0.04 . 1 . . . B 202 SER HA . 26042 1 965 . 2 2 4 4 SER HB2 H 1 3.8100 0.04 . 2 . . . B 202 SER HB2 . 26042 1 966 . 2 2 4 4 SER HB3 H 1 3.8700 0.04 . 2 . . . B 202 SER HB3 . 26042 1 967 . 2 2 4 4 SER CA C 13 58.4980 0.4 . 1 . . . B 202 SER CA . 26042 1 968 . 2 2 4 4 SER CB C 13 64.2480 0.4 . 1 . . . B 202 SER CB . 26042 1 969 . 2 2 4 4 SER N N 15 121.8960 0.4 . 1 . . . B 202 SER N . 26042 1 970 . 2 2 5 5 SER H H 1 8.4200 0.04 . 1 . . . B 203 SER HN . 26042 1 971 . 2 2 5 5 SER HA H 1 4.4750 0.04 . 1 . . . B 203 SER HA . 26042 1 972 . 2 2 5 5 SER HB3 H 1 3.8360 0.04 . 2 . . . B 203 SER HB3 . 26042 1 973 . 2 2 5 5 SER CA C 13 58.8970 0.4 . 1 . . . B 203 SER CA . 26042 1 974 . 2 2 5 5 SER CB C 13 63.9080 0.4 . 1 . . . B 203 SER CB . 26042 1 975 . 2 2 5 5 SER N N 15 123.2520 0.4 . 1 . . . B 203 SER N . 26042 1 976 . 2 2 6 6 ILE H H 1 8.1260 0.04 . 1 . . . B 204 ILE HN . 26042 1 977 . 2 2 6 6 ILE HA H 1 4.1980 0.04 . 1 . . . B 204 ILE HA . 26042 1 978 . 2 2 6 6 ILE HB H 1 1.8680 0.04 . 1 . . . B 204 ILE HB . 26042 1 979 . 2 2 6 6 ILE HG12 H 1 1.1690 0.04 . 1 . . . B 204 ILE HG12 . 26042 1 980 . 2 2 6 6 ILE HG13 H 1 1.4430 0.04 . 1 . . . B 204 ILE HG13 . 26042 1 981 . 2 2 6 6 ILE HG21 H 1 0.8250 0.04 . 1 . . . B 204 ILE HG21 . 26042 1 982 . 2 2 6 6 ILE HG22 H 1 0.8250 0.04 . 1 . . . B 204 ILE HG21 . 26042 1 983 . 2 2 6 6 ILE HG23 H 1 0.8250 0.04 . 1 . . . B 204 ILE HG21 . 26042 1 984 . 2 2 6 6 ILE HD11 H 1 0.8250 0.04 . 1 . . . B 204 ILE HD11 . 26042 1 985 . 2 2 6 6 ILE HD12 H 1 0.8250 0.04 . 1 . . . B 204 ILE HD11 . 26042 1 986 . 2 2 6 6 ILE HD13 H 1 0.8250 0.04 . 1 . . . B 204 ILE HD11 . 26042 1 987 . 2 2 6 6 ILE CA C 13 61.6100 0.4 . 1 . . . B 204 ILE CA . 26042 1 988 . 2 2 6 6 ILE CB C 13 38.8470 0.4 . 1 . . . B 204 ILE CB . 26042 1 989 . 2 2 6 6 ILE CG1 C 13 27.1280 0.4 . 1 . . . B 204 ILE CG1 . 26042 1 990 . 2 2 6 6 ILE CG2 C 13 17.4010 0.4 . 1 . . . B 204 ILE CG2 . 26042 1 991 . 2 2 6 6 ILE CD1 C 13 13.1580 0.4 . 1 . . . B 204 ILE CD1 . 26042 1 992 . 2 2 6 6 ILE N N 15 122.2090 0.4 . 1 . . . B 204 ILE N . 26042 1 993 . 2 2 7 7 VAL H H 1 8.2240 0.04 . 1 . . . B 205 VAL HN . 26042 1 994 . 2 2 7 7 VAL HA H 1 4.0490 0.04 . 1 . . . B 205 VAL HA . 26042 1 995 . 2 2 7 7 VAL HB H 1 1.9840 0.04 . 1 . . . B 205 VAL HB . 26042 1 996 . 2 2 7 7 VAL HG11 H 1 0.7750 0.04 . 2 . . . B 205 VAL HG11 . 26042 1 997 . 2 2 7 7 VAL HG12 H 1 0.7750 0.04 . 2 . . . B 205 VAL HG11 . 26042 1 998 . 2 2 7 7 VAL HG13 H 1 0.7750 0.04 . 2 . . . B 205 VAL HG11 . 26042 1 999 . 2 2 7 7 VAL HG21 H 1 0.8570 0.04 . 2 . . . B 205 VAL HG21 . 26042 1 1000 . 2 2 7 7 VAL HG22 H 1 0.8570 0.04 . 2 . . . B 205 VAL HG21 . 26042 1 1001 . 2 2 7 7 VAL HG23 H 1 0.8570 0.04 . 2 . . . B 205 VAL HG21 . 26042 1 1002 . 2 2 7 7 VAL CA C 13 62.5560 0.4 . 1 . . . B 205 VAL CA . 26042 1 1003 . 2 2 7 7 VAL CB C 13 32.9480 0.4 . 1 . . . B 205 VAL CB . 26042 1 1004 . 2 2 7 7 VAL CG1 C 13 21.3260 0.4 . 1 . . . B 205 VAL CG1 . 26042 1 1005 . 2 2 7 7 VAL CG2 C 13 20.8380 0.4 . 1 . . . B 205 VAL CG2 . 26042 1 1006 . 2 2 7 7 VAL N N 15 125.0200 0.4 . 1 . . . B 205 VAL N . 26042 1 1007 . 2 2 8 8 LYS H H 1 8.3910 0.04 . 1 . . . B 206 LYS HN . 26042 1 1008 . 2 2 8 8 LYS HA H 1 4.2550 0.04 . 1 . . . B 206 LYS HA . 26042 1 1009 . 2 2 8 8 LYS HB3 H 1 1.6220 0.04 . 2 . . . B 206 LYS HB3 . 26042 1 1010 . 2 2 8 8 LYS HG2 H 1 1.3060 0.04 . 2 . . . B 206 LYS HG2 . 26042 1 1011 . 2 2 8 8 LYS HG3 H 1 1.3760 0.04 . 2 . . . B 206 LYS HG3 . 26042 1 1012 . 2 2 8 8 LYS HD3 H 1 1.6520 0.04 . 2 . . . B 206 LYS HD3 . 26042 1 1013 . 2 2 8 8 LYS HE3 H 1 2.9600 0.04 . 2 . . . B 206 LYS HE3 . 26042 1 1014 . 2 2 8 8 LYS CA C 13 55.9780 0.4 . 1 . . . B 206 LYS CA . 26042 1 1015 . 2 2 8 8 LYS CB C 13 33.4280 0.4 . 1 . . . B 206 LYS CB . 26042 1 1016 . 2 2 8 8 LYS N N 15 125.6980 0.4 . 1 . . . B 206 LYS N . 26042 1 1017 . 2 2 9 9 PHE H H 1 8.2790 0.04 . 1 . . . B 207 PHE HN . 26042 1 1018 . 2 2 9 9 PHE HA H 1 4.6270 0.04 . 1 . . . B 207 PHE HA . 26042 1 1019 . 2 2 9 9 PHE HB2 H 1 2.9650 0.04 . 2 . . . B 207 PHE HB2 . 26042 1 1020 . 2 2 9 9 PHE HB3 H 1 3.0530 0.04 . 2 . . . B 207 PHE HB3 . 26042 1 1021 . 2 2 9 9 PHE HD1 H 1 7.1710 0.04 . 3 . . . B 207 PHE HD1 . 26042 1 1022 . 2 2 9 9 PHE HE1 H 1 7.2400 0.04 . 3 . . . B 207 PHE HE1 . 26042 1 1023 . 2 2 9 9 PHE HZ H 1 7.0820 0.04 . 1 . . . B 207 PHE HZ . 26042 1 1024 . 2 2 9 9 PHE CA C 13 59.2980 0.4 . 1 . . . B 207 PHE CA . 26042 1 1025 . 2 2 9 9 PHE CB C 13 40.5480 0.4 . 1 . . . B 207 PHE CB . 26042 1 1026 . 2 2 9 9 PHE CD1 C 13 132.7880 0.4 . 3 . . . B 207 PHE CD1 . 26042 1 1027 . 2 2 9 9 PHE CE1 C 13 131.4380 0.4 . 3 . . . B 207 PHE CE1 . 26042 1 1028 . 2 2 9 9 PHE CZ C 13 129.0980 0.4 . 1 . . . B 207 PHE CZ . 26042 1 1029 . 2 2 9 9 PHE N N 15 126.7800 0.4 . 1 . . . B 207 PHE N . 26042 1 1030 . 2 2 10 10 LYS H H 1 8.2480 0.04 . 1 . . . B 208 LYS HN . 26042 1 1031 . 2 2 10 10 LYS HA H 1 4.2550 0.04 . 1 . . . B 208 LYS HA . 26042 1 1032 . 2 2 10 10 LYS HB2 H 1 1.6220 0.04 . 2 . . . B 208 LYS HB2 . 26042 1 1033 . 2 2 10 10 LYS HB3 H 1 1.7150 0.04 . 2 . . . B 208 LYS HB3 . 26042 1 1034 . 2 2 10 10 LYS HG2 H 1 1.3200 0.04 . 2 . . . B 208 LYS HG2 . 26042 1 1035 . 2 2 10 10 LYS HG3 H 1 1.3730 0.04 . 2 . . . B 208 LYS HG3 . 26042 1 1036 . 2 2 10 10 LYS HD3 H 1 1.6520 0.04 . 2 . . . B 208 LYS HD3 . 26042 1 1037 . 2 2 10 10 LYS HE3 H 1 2.9320 0.04 . 2 . . . B 208 LYS HE3 . 26042 1 1038 . 2 2 10 10 LYS CA C 13 57.5580 0.4 . 1 . . . B 208 LYS CA . 26042 1 1039 . 2 2 10 10 LYS CB C 13 30.4440 0.4 . 1 . . . B 208 LYS CB . 26042 1 1040 . 2 2 11 11 LYS H H 1 8.3820 0.04 . 1 . . . B 209 LYS HN . 26042 1 1041 . 2 2 11 11 LYS HA H 1 4.4320 0.04 . 1 . . . B 209 LYS HA . 26042 1 1042 . 2 2 11 11 LYS HB3 H 1 1.7930 0.04 . 2 . . . B 209 LYS HB3 . 26042 1 1043 . 2 2 11 11 LYS HG3 H 1 1.4570 0.04 . 2 . . . B 209 LYS HG3 . 26042 1 1044 . 2 2 11 11 LYS HD3 H 1 1.6810 0.04 . 2 . . . B 209 LYS HD3 . 26042 1 1045 . 2 2 11 11 LYS HE3 H 1 2.9710 0.04 . 2 . . . B 209 LYS HE3 . 26042 1 1046 . 2 2 11 11 LYS CA C 13 57.9450 0.4 . 1 . . . B 209 LYS CA . 26042 1 1047 . 2 2 11 11 LYS CB C 13 30.2640 0.4 . 1 . . . B 209 LYS CB . 26042 1 1048 . 2 2 11 11 LYS N N 15 121.0780 0.4 . 1 . . . B 209 LYS N . 26042 1 1049 . 2 2 12 12 PRO HA H 1 4.4250 0.04 . 1 . . . B 210 PRO HA . 26042 1 1050 . 2 2 12 12 PRO HB2 H 1 1.8730 0.04 . 2 . . . B 210 PRO HB2 . 26042 1 1051 . 2 2 12 12 PRO HB3 H 1 2.2320 0.04 . 2 . . . B 210 PRO HB3 . 26042 1 1052 . 2 2 12 12 PRO HG3 H 1 1.9900 0.04 . 2 . . . B 210 PRO HG3 . 26042 1 1053 . 2 2 12 12 PRO HD2 H 1 3.6280 0.04 . 2 . . . B 210 PRO HD2 . 26042 1 1054 . 2 2 12 12 PRO HD3 H 1 3.8550 0.04 . 2 . . . B 210 PRO HD3 . 26042 1 1055 . 2 2 12 12 PRO CA C 13 62.8470 0.4 . 1 . . . B 210 PRO CA . 26042 1 1056 . 2 2 12 12 PRO CB C 13 32.2780 0.4 . 1 . . . B 210 PRO CB . 26042 1 1057 . 2 2 12 12 PRO CG C 13 27.4600 0.4 . 1 . . . B 210 PRO CG . 26042 1 1058 . 2 2 12 12 PRO CD C 13 50.8200 0.4 . 1 . . . B 210 PRO CD . 26042 1 1059 . 2 2 13 13 LEU H H 1 8.4160 0.04 . 1 . . . B 211 LEU HN . 26042 1 1060 . 2 2 13 13 LEU HA H 1 4.5720 0.04 . 1 . . . B 211 LEU HA . 26042 1 1061 . 2 2 13 13 LEU HB2 H 1 1.5620 0.04 . 2 . . . B 211 LEU HB2 . 26042 1 1062 . 2 2 13 13 LEU HB3 H 1 1.5800 0.04 . 2 . . . B 211 LEU HB3 . 26042 1 1063 . 2 2 13 13 LEU HG H 1 1.7330 0.04 . 1 . . . B 211 LEU HG . 26042 1 1064 . 2 2 13 13 LEU HD11 H 1 0.9460 0.04 . 2 . . . B 211 LEU HD11 . 26042 1 1065 . 2 2 13 13 LEU HD12 H 1 0.9460 0.04 . 2 . . . B 211 LEU HD11 . 26042 1 1066 . 2 2 13 13 LEU HD13 H 1 0.9460 0.04 . 2 . . . B 211 LEU HD11 . 26042 1 1067 . 2 2 13 13 LEU HD21 H 1 0.9280 0.04 . 2 . . . B 211 LEU HD21 . 26042 1 1068 . 2 2 13 13 LEU HD22 H 1 0.9280 0.04 . 2 . . . B 211 LEU HD21 . 26042 1 1069 . 2 2 13 13 LEU HD23 H 1 0.9280 0.04 . 2 . . . B 211 LEU HD21 . 26042 1 1070 . 2 2 13 13 LEU CA C 13 53.4380 0.4 . 1 . . . B 211 LEU CA . 26042 1 1071 . 2 2 13 13 LEU CB C 13 41.7800 0.4 . 1 . . . B 211 LEU CB . 26042 1 1072 . 2 2 13 13 LEU CG C 13 27.3580 0.4 . 1 . . . B 211 LEU CG . 26042 1 1073 . 2 2 13 13 LEU CD1 C 13 25.4680 0.4 . 1 . . . B 211 LEU CD1 . 26042 1 1074 . 2 2 13 13 LEU CD2 C 13 23.5760 0.4 . 1 . . . B 211 LEU CD2 . 26042 1 1075 . 2 2 13 13 LEU N N 15 123.5080 0.4 . 1 . . . B 211 LEU N . 26042 1 1076 . 2 2 14 14 PRO HA H 1 4.4280 0.04 . 1 . . . B 212 PRO HA . 26042 1 1077 . 2 2 14 14 PRO HB2 H 1 1.8970 0.04 . 2 . . . B 212 PRO HB2 . 26042 1 1078 . 2 2 14 14 PRO HB3 H 1 2.2910 0.04 . 2 . . . B 212 PRO HB3 . 26042 1 1079 . 2 2 14 14 PRO HG3 H 1 2.0330 0.04 . 2 . . . B 212 PRO HG3 . 26042 1 1080 . 2 2 14 14 PRO HD2 H 1 3.5960 0.04 . 2 . . . B 212 PRO HD2 . 26042 1 1081 . 2 2 14 14 PRO HD3 H 1 3.8040 0.04 . 2 . . . B 212 PRO HD3 . 26042 1 1082 . 2 2 14 14 PRO CA C 13 63.0180 0.4 . 1 . . . B 212 PRO CA . 26042 1 1083 . 2 2 14 14 PRO CB C 13 32.1780 0.4 . 1 . . . B 212 PRO CB . 26042 1 1084 . 2 2 14 14 PRO CD C 13 50.7880 0.4 . 1 . . . B 212 PRO CD . 26042 1 1085 . 2 2 15 15 LEU H H 1 8.4860 0.04 . 1 . . . B 213 LEU HN . 26042 1 1086 . 2 2 15 15 LEU HA H 1 4.3620 0.04 . 1 . . . B 213 LEU HA . 26042 1 1087 . 2 2 15 15 LEU HB3 H 1 1.6630 0.04 . 2 . . . B 213 LEU HB3 . 26042 1 1088 . 2 2 15 15 LEU HG H 1 1.6070 0.04 . 1 . . . B 213 LEU HG . 26042 1 1089 . 2 2 15 15 LEU HD11 H 1 0.9030 0.04 . 2 . . . B 213 LEU HD11 . 26042 1 1090 . 2 2 15 15 LEU HD12 H 1 0.9030 0.04 . 2 . . . B 213 LEU HD11 . 26042 1 1091 . 2 2 15 15 LEU HD13 H 1 0.9030 0.04 . 2 . . . B 213 LEU HD11 . 26042 1 1092 . 2 2 15 15 LEU HD21 H 1 0.9470 0.04 . 2 . . . B 213 LEU HD21 . 26042 1 1093 . 2 2 15 15 LEU HD22 H 1 0.9470 0.04 . 2 . . . B 213 LEU HD21 . 26042 1 1094 . 2 2 15 15 LEU HD23 H 1 0.9470 0.04 . 2 . . . B 213 LEU HD21 . 26042 1 1095 . 2 2 15 15 LEU CA C 13 55.5980 0.4 . 1 . . . B 213 LEU CA . 26042 1 1096 . 2 2 15 15 LEU CB C 13 42.5580 0.4 . 1 . . . B 213 LEU CB . 26042 1 1097 . 2 2 15 15 LEU CG C 13 27.3000 0.4 . 1 . . . B 213 LEU CG . 26042 1 1098 . 2 2 15 15 LEU CD1 C 13 25.2280 0.4 . 1 . . . B 213 LEU CD1 . 26042 1 1099 . 2 2 15 15 LEU CD2 C 13 24.0490 0.4 . 1 . . . B 213 LEU CD2 . 26042 1 1100 . 2 2 15 15 LEU N N 15 121.7780 0.4 . 1 . . . B 213 LEU N . 26042 1 1101 . 2 2 16 16 THR H H 1 8.1280 0.04 . 1 . . . B 214 THR HN . 26042 1 1102 . 2 2 16 16 THR HA H 1 4.3050 0.04 . 1 . . . B 214 THR HA . 26042 1 1103 . 2 2 16 16 THR HB H 1 4.1800 0.04 . 1 . . . B 214 THR HB . 26042 1 1104 . 2 2 16 16 THR HG21 H 1 1.1670 0.04 . 1 . . . B 214 THR HG21 . 26042 1 1105 . 2 2 16 16 THR HG22 H 1 1.1670 0.04 . 1 . . . B 214 THR HG21 . 26042 1 1106 . 2 2 16 16 THR HG23 H 1 1.1670 0.04 . 1 . . . B 214 THR HG21 . 26042 1 1107 . 2 2 16 16 THR CA C 13 61.8580 0.4 . 1 . . . B 214 THR CA . 26042 1 1108 . 2 2 16 16 THR CB C 13 70.0780 0.4 . 1 . . . B 214 THR CB . 26042 1 1109 . 2 2 16 16 THR CG2 C 13 21.9180 0.4 . 1 . . . B 214 THR CG2 . 26042 1 1110 . 2 2 16 16 THR N N 15 114.3980 0.4 . 1 . . . B 214 THR N . 26042 1 1111 . 2 2 17 17 GLN H H 1 8.5170 0.04 . 1 . . . B 215 GLN HN . 26042 1 1112 . 2 2 17 17 GLN HA H 1 4.4210 0.04 . 1 . . . B 215 GLN HA . 26042 1 1113 . 2 2 17 17 GLN HB2 H 1 2.0120 0.04 . 2 . . . B 215 GLN HB2 . 26042 1 1114 . 2 2 17 17 GLN HB3 H 1 2.1680 0.04 . 2 . . . B 215 GLN HB3 . 26042 1 1115 . 2 2 17 17 GLN HG3 H 1 2.3740 0.04 . 2 . . . B 215 GLN HG3 . 26042 1 1116 . 2 2 17 17 GLN CA C 13 53.7080 0.4 . 1 . . . B 215 GLN CA . 26042 1 1117 . 2 2 17 17 GLN CB C 13 29.2280 0.4 . 1 . . . B 215 GLN CB . 26042 1 1118 . 2 2 17 17 GLN CG C 13 33.5160 0.4 . 1 . . . B 215 GLN CG . 26042 1 1119 . 2 2 17 17 GLN N N 15 123.2080 0.4 . 1 . . . B 215 GLN N . 26042 1 1120 . 2 2 18 18 PRO HA H 1 4.3870 0.04 . 1 . . . B 216 PRO HA . 26042 1 1121 . 2 2 18 18 PRO HB3 H 1 2.9270 0.04 . 2 . . . B 216 PRO HB3 . 26042 1 1122 . 2 2 18 18 PRO HD2 H 1 3.7210 0.04 . 2 . . . B 216 PRO HD2 . 26042 1 1123 . 2 2 18 18 PRO HD3 H 1 3.8330 0.04 . 2 . . . B 216 PRO HD3 . 26042 1 1124 . 2 2 18 18 PRO CA C 13 63.1640 0.4 . 1 . . . B 216 PRO CA . 26042 1 1125 . 2 2 18 18 PRO CB C 13 34.7280 0.4 . 1 . . . B 216 PRO CB . 26042 1 1126 . 2 2 18 18 PRO CD C 13 51.0280 0.4 . 1 . . . B 216 PRO CD . 26042 1 1127 . 2 2 19 19 GLY H H 1 8.6470 0.04 . 1 . . . B 217 GLY HN . 26042 1 1128 . 2 2 19 19 GLY HA3 H 1 4.0480 0.04 . 2 . . . B 217 GLY HA3 . 26042 1 1129 . 2 2 19 19 GLY CA C 13 45.2980 0.4 . 1 . . . B 217 GLY CA . 26042 1 1130 . 2 2 19 19 GLY N N 15 110.5280 0.4 . 1 . . . B 217 GLY N . 26042 1 stop_ save_