data_4941 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4941 _Entry.Title ; The Three-dimensional Structure of the C-terminal DNA-binding Domain of Human Ku70 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-01-17 _Entry.Accession_date 2001-01-17 _Entry.Last_release_date 2002-01-23 _Entry.Original_release_date 2002-01-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ziming Zhang . . . 4941 2 Lingyang Zhu . . . 4941 3 Donghai Lin . . . 4941 4 F. Chen . . . 4941 5 David Chen . J. . 4941 6 Yuan Chen . . . 4941 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4941 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 288 4941 '15N chemical shifts' 86 4941 '1H chemical shifts' 600 4941 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-01-23 2001-01-17 original author . 4941 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1JJR 'BMRB Entry Tracking System' 4941 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4941 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21474285 _Citation.DOI . _Citation.PubMed_ID 11457852 _Citation.Full_citation . _Citation.Title ; The Three-dimensional Structure of the C-terminal DNA-binding Domain of Human Ku70 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'Journal of Biological Chemistry' _Citation.Journal_volume 276 _Citation.Journal_issue 41 _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 38231 _Citation.Page_last 38236 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ziming Zhang . . . 4941 1 2 Lingyang Zhu . . . 4941 1 3 Donghai Lin . . . 4941 1 4 F. Chen . . . 4941 1 5 David Chen . J. . 4941 1 6 Yuan Chen . . . 4941 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA binding domain' 4941 1 Ku70 4941 1 'NMR assignment' 4941 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Ku70_CTD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Ku70_CTD _Assembly.Entry_ID 4941 _Assembly.ID 1 _Assembly.Name 'Ku70 DNA binding domain at the C-terminus' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4941 1 stop_ 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 'Ku70 CTD' 1 $Ku70_CTD . . . native . . . . . 4941 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ku70 CTD' abbreviation 4941 1 'Ku70 DNA binding domain at the C-terminus' system 4941 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA-repair enzyme' 4941 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ku70_CTD _Entity.Sf_category entity _Entity.Sf_framecode Ku70_CTD _Entity.Entry_ID 4941 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ku70 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MASPEGKVTKRKHDNEGSGS KRPKVEYSEEELKTHISKGT LGKFTVPMLKEACRAYGLKS GLKKQELLEALTKHFQD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1JEQ . "Crystal Structure Of The Ku Heterodimer" . . . . . 77.32 609 98.67 100.00 1.88e-41 . . . . 4941 1 2 no PDB 1JEY . "Crystal Structure Of The Ku Heterodimer Bound To Dna" . . . . . 77.32 609 98.67 100.00 1.88e-41 . . . . 4941 1 3 no PDB 1JJR . "The Three-Dimensional Structure Of The C-Terminal Dna Binding Domain Of Human Ku70" . . . . . 100.00 151 100.00 100.00 2.16e-61 . . . . 4941 1 4 no DBJ BAE00743 . "unnamed protein product [Macaca fascicularis]" . . . . . 77.32 609 97.33 100.00 4.88e-41 . . . . 4941 1 5 no DBJ BAE01402 . "unnamed protein product [Macaca fascicularis]" . . . . . 77.32 609 97.33 100.00 4.78e-41 . . . . 4941 1 6 no DBJ BAG10952 . "ATP-dependent DNA helicase 2 subunit 1 [synthetic construct]" . . . . . 77.32 609 98.67 100.00 1.88e-41 . . . . 4941 1 7 no DBJ BAG37986 . "unnamed protein product [Homo sapiens]" . . . . . 77.32 609 98.67 100.00 2.11e-41 . . . . 4941 1 8 no DBJ BAG51575 . "unnamed protein product [Homo sapiens]" . . . . . 77.32 568 98.67 100.00 2.42e-41 . . . . 4941 1 9 no EMBL CAG30378 . "G22P1 [Homo sapiens]" . . . . . 77.32 227 98.67 100.00 1.06e-43 . . . . 4941 1 10 no EMBL CAG47015 . "G22P1 [Homo sapiens]" . . . . . 77.32 609 98.67 100.00 1.97e-41 . . . . 4941 1 11 no EMBL CAH93208 . "hypothetical protein [Pongo abelii]" . . . . . 77.32 609 98.67 100.00 2.01e-41 . . . . 4941 1 12 no EMBL CAK54520 . "XRCC6 [synthetic construct]" . . . . . 77.32 227 98.67 100.00 1.06e-43 . . . . 4941 1 13 no EMBL CAK54819 . "XRCC6 [synthetic construct]" . . . . . 77.32 227 98.67 100.00 1.06e-43 . . . . 4941 1 14 no GB AAA36155 . "Ku protein subunit [Homo sapiens]" . . . . . 77.32 609 98.67 100.00 1.88e-41 . . . . 4941 1 15 no GB AAA51733 . "p70 autoantigen [Homo sapiens]" . . . . . 77.32 609 98.67 100.00 1.88e-41 . . . . 4941 1 16 no GB AAA61177 . "thyroid autoantigen [Homo sapiens]" . . . . . 77.32 609 98.67 100.00 1.88e-41 . . . . 4941 1 17 no GB AAB22381 . "Ku autoantigen p70 subunit [Homo sapiens]" . . . . . 77.32 609 98.67 100.00 1.88e-41 . . . . 4941 1 18 no GB AAH08343 . "XRCC6 protein [Homo sapiens]" . . . . . 77.32 609 98.67 100.00 1.88e-41 . . . . 4941 1 19 no REF NP_001126888 . "X-ray repair cross-complementing protein 6 [Pongo abelii]" . . . . . 77.32 609 98.67 100.00 2.01e-41 . . . . 4941 1 20 no REF NP_001267434 . "X-ray repair cross-complementing protein 6 [Pan troglodytes]" . . . . . 77.32 609 98.67 100.00 1.88e-41 . . . . 4941 1 21 no REF NP_001271637 . "uncharacterized protein LOC101866663 [Macaca fascicularis]" . . . . . 77.32 609 97.33 100.00 4.88e-41 . . . . 4941 1 22 no REF NP_001275905 . "X-ray repair cross-complementing protein 6 isoform 1 [Homo sapiens]" . . . . . 77.32 609 98.67 100.00 1.88e-41 . . . . 4941 1 23 no REF NP_001275906 . "X-ray repair cross-complementing protein 6 isoform 2 [Homo sapiens]" . . . . . 77.32 568 98.67 100.00 2.42e-41 . . . . 4941 1 24 no SP P12956 . "RecName: Full=X-ray repair cross-complementing protein 6; AltName: Full=5'-deoxyribose-5-phosphate lyase Ku70; Short=5'-dRP lya" . . . . . 77.32 609 98.67 100.00 1.88e-41 . . . . 4941 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ku70 common 4941 1 'Ku70 CTD' abbreviation 4941 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4941 1 2 . GLY . 4941 1 3 . SER . 4941 1 4 . SER . 4941 1 5 . HIS . 4941 1 6 . HIS . 4941 1 7 . HIS . 4941 1 8 . HIS . 4941 1 9 . HIS . 4941 1 10 . HIS . 4941 1 11 . SER . 4941 1 12 . SER . 4941 1 13 . GLY . 4941 1 14 . LEU . 4941 1 15 . VAL . 4941 1 16 . PRO . 4941 1 17 . ARG . 4941 1 18 . GLY . 4941 1 19 . SER . 4941 1 20 . HIS . 4941 1 21 . MET . 4941 1 22 . ALA . 4941 1 23 . SER . 4941 1 24 . PRO . 4941 1 25 . GLU . 4941 1 26 . GLY . 4941 1 27 . LYS . 4941 1 28 . VAL . 4941 1 29 . THR . 4941 1 30 . LYS . 4941 1 31 . ARG . 4941 1 32 . LYS . 4941 1 33 . HIS . 4941 1 34 . ASP . 4941 1 35 . ASN . 4941 1 36 . GLU . 4941 1 37 . GLY . 4941 1 38 . SER . 4941 1 39 . GLY . 4941 1 40 . SER . 4941 1 41 . LYS . 4941 1 42 . ARG . 4941 1 43 . PRO . 4941 1 44 . LYS . 4941 1 45 . VAL . 4941 1 46 . GLU . 4941 1 47 . TYR . 4941 1 48 . SER . 4941 1 49 . GLU . 4941 1 50 . GLU . 4941 1 51 . GLU . 4941 1 52 . LEU . 4941 1 53 . LYS . 4941 1 54 . THR . 4941 1 55 . HIS . 4941 1 56 . ILE . 4941 1 57 . SER . 4941 1 58 . LYS . 4941 1 59 . GLY . 4941 1 60 . THR . 4941 1 61 . LEU . 4941 1 62 . GLY . 4941 1 63 . LYS . 4941 1 64 . PHE . 4941 1 65 . THR . 4941 1 66 . VAL . 4941 1 67 . PRO . 4941 1 68 . MET . 4941 1 69 . LEU . 4941 1 70 . LYS . 4941 1 71 . GLU . 4941 1 72 . ALA . 4941 1 73 . CYS . 4941 1 74 . ARG . 4941 1 75 . ALA . 4941 1 76 . TYR . 4941 1 77 . GLY . 4941 1 78 . LEU . 4941 1 79 . LYS . 4941 1 80 . SER . 4941 1 81 . GLY . 4941 1 82 . LEU . 4941 1 83 . LYS . 4941 1 84 . LYS . 4941 1 85 . GLN . 4941 1 86 . GLU . 4941 1 87 . LEU . 4941 1 88 . LEU . 4941 1 89 . GLU . 4941 1 90 . ALA . 4941 1 91 . LEU . 4941 1 92 . THR . 4941 1 93 . LYS . 4941 1 94 . HIS . 4941 1 95 . PHE . 4941 1 96 . GLN . 4941 1 97 . ASP . 4941 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4941 1 . GLY 2 2 4941 1 . SER 3 3 4941 1 . SER 4 4 4941 1 . HIS 5 5 4941 1 . HIS 6 6 4941 1 . HIS 7 7 4941 1 . HIS 8 8 4941 1 . HIS 9 9 4941 1 . HIS 10 10 4941 1 . SER 11 11 4941 1 . SER 12 12 4941 1 . GLY 13 13 4941 1 . LEU 14 14 4941 1 . VAL 15 15 4941 1 . PRO 16 16 4941 1 . ARG 17 17 4941 1 . GLY 18 18 4941 1 . SER 19 19 4941 1 . HIS 20 20 4941 1 . MET 21 21 4941 1 . ALA 22 22 4941 1 . SER 23 23 4941 1 . PRO 24 24 4941 1 . GLU 25 25 4941 1 . GLY 26 26 4941 1 . LYS 27 27 4941 1 . VAL 28 28 4941 1 . THR 29 29 4941 1 . LYS 30 30 4941 1 . ARG 31 31 4941 1 . LYS 32 32 4941 1 . HIS 33 33 4941 1 . ASP 34 34 4941 1 . ASN 35 35 4941 1 . GLU 36 36 4941 1 . GLY 37 37 4941 1 . SER 38 38 4941 1 . GLY 39 39 4941 1 . SER 40 40 4941 1 . LYS 41 41 4941 1 . ARG 42 42 4941 1 . PRO 43 43 4941 1 . LYS 44 44 4941 1 . VAL 45 45 4941 1 . GLU 46 46 4941 1 . TYR 47 47 4941 1 . SER 48 48 4941 1 . GLU 49 49 4941 1 . GLU 50 50 4941 1 . GLU 51 51 4941 1 . LEU 52 52 4941 1 . LYS 53 53 4941 1 . THR 54 54 4941 1 . HIS 55 55 4941 1 . ILE 56 56 4941 1 . SER 57 57 4941 1 . LYS 58 58 4941 1 . GLY 59 59 4941 1 . THR 60 60 4941 1 . LEU 61 61 4941 1 . GLY 62 62 4941 1 . LYS 63 63 4941 1 . PHE 64 64 4941 1 . THR 65 65 4941 1 . VAL 66 66 4941 1 . PRO 67 67 4941 1 . MET 68 68 4941 1 . LEU 69 69 4941 1 . LYS 70 70 4941 1 . GLU 71 71 4941 1 . ALA 72 72 4941 1 . CYS 73 73 4941 1 . ARG 74 74 4941 1 . ALA 75 75 4941 1 . TYR 76 76 4941 1 . GLY 77 77 4941 1 . LEU 78 78 4941 1 . LYS 79 79 4941 1 . SER 80 80 4941 1 . GLY 81 81 4941 1 . LEU 82 82 4941 1 . LYS 83 83 4941 1 . LYS 84 84 4941 1 . GLN 85 85 4941 1 . GLU 86 86 4941 1 . LEU 87 87 4941 1 . LEU 88 88 4941 1 . GLU 89 89 4941 1 . ALA 90 90 4941 1 . LEU 91 91 4941 1 . THR 92 92 4941 1 . LYS 93 93 4941 1 . HIS 94 94 4941 1 . PHE 95 95 4941 1 . GLN 96 96 4941 1 . ASP 97 97 4941 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4941 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ku70_CTD . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . ku70 . . . . 4941 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 4941 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ku70_CTD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . PET28 . . . . . . 4941 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4941 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Ku70 [U-15N] . . 1 $Ku70_CTD . . . 0.8 1.5 mM . . . . 4941 1 2 'phosphate buffer' . . . . . . . 100 . . mM . . . . 4941 1 3 NaN3 . . . . . . . 0.03 . . % . . . . 4941 1 4 DTT . . . . . . . 5 . . mM . . . . 4941 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4941 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Ku70 '[U-13C; U-15N]' . . 1 $Ku70_CTD . . . 0.8 1.5 mM . . . . 4941 2 2 'phosphate buffer' . . . . . . . 100 . . mM . . . . 4941 2 3 NaN3 . . . . . . . 0.03 . . % . . . . 4941 2 4 DTT . . . . . . . 5 . . mM . . . . 4941 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 4941 _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 6.0 0.05 n/a 4941 1 temperature 293 0.1 K 4941 1 stop_ save_ ############################ # Computer software used # ############################ save_felix _Software.Sf_category software _Software.Sf_framecode felix _Software.Entry_ID 4941 _Software.ID 1 _Software.Name FELIX _Software.Version 98 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4941 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varin _NMR_spectrometer.Model Unity-plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4941 _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 NMR_spectrometer Varin Unity-plus . 500 . . . 4941 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 4941 _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 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4941 1 2 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4941 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4941 1 4 HCCH_TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4941 1 5 15N-edited . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4941 1 6 TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4941 1 7 DQFCOSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4941 1 8 13C-edited . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4941 1 9 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4941 1 10 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4941 1 11 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4941 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4941 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4941 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4941 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4941 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCCH_TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4941 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 15N-edited _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4941 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4941 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name DQFCOSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4941 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 13C-edited _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4941 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4941 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4941 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4941 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4941 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4941 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 4941 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4941 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_cs_Ku70_CTD _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_Ku70_CTD _Assigned_chem_shift_list.Entry_ID 4941 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4941 1 . . 2 $sample_2 . 4941 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 11 11 SER N N 15 117.20 0.50 . 1 . . . . . . . . 4941 1 2 . 1 1 11 11 SER H H 1 8.57 0.02 . 1 . . . . . . . . 4941 1 3 . 1 1 11 11 SER CA C 13 58.73 0.50 . 1 . . . . . . . . 4941 1 4 . 1 1 11 11 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 4941 1 5 . 1 1 11 11 SER CB C 13 63.90 0.50 . 1 . . . . . . . . 4941 1 6 . 1 1 11 11 SER HB2 H 1 3.79 0.02 . 1 . . . . . . . . 4941 1 7 . 1 1 11 11 SER HB3 H 1 3.79 0.02 . 1 . . . . . . . . 4941 1 8 . 1 1 12 12 SER N N 15 118.25 0.50 . 1 . . . . . . . . 4941 1 9 . 1 1 12 12 SER H H 1 8.52 0.02 . 1 . . . . . . . . 4941 1 10 . 1 1 12 12 SER CA C 13 58.70 0.50 . 1 . . . . . . . . 4941 1 11 . 1 1 12 12 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 4941 1 12 . 1 1 12 12 SER CB C 13 64.00 0.50 . 1 . . . . . . . . 4941 1 13 . 1 1 12 12 SER HB2 H 1 3.83 0.02 . 1 . . . . . . . . 4941 1 14 . 1 1 12 12 SER HB3 H 1 3.83 0.02 . 1 . . . . . . . . 4941 1 15 . 1 1 13 13 GLY N N 15 110.08 0.50 . 1 . . . . . . . . 4941 1 16 . 1 1 13 13 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 4941 1 17 . 1 1 13 13 GLY CA C 13 45.50 0.50 . 1 . . . . . . . . 4941 1 18 . 1 1 13 13 GLY HA2 H 1 3.93 0.02 . 1 . . . . . . . . 4941 1 19 . 1 1 13 13 GLY HA3 H 1 3.93 0.02 . 1 . . . . . . . . 4941 1 20 . 1 1 14 14 LEU N N 15 121.49 0.50 . 1 . . . . . . . . 4941 1 21 . 1 1 14 14 LEU H H 1 8.03 0.02 . 1 . . . . . . . . 4941 1 22 . 1 1 14 14 LEU CA C 13 55.25 0.50 . 1 . . . . . . . . 4941 1 23 . 1 1 14 14 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 4941 1 24 . 1 1 14 14 LEU CB C 13 42.47 0.50 . 1 . . . . . . . . 4941 1 25 . 1 1 14 14 LEU HB2 H 1 1.48 0.02 . 1 . . . . . . . . 4941 1 26 . 1 1 14 14 LEU HB3 H 1 1.48 0.02 . 1 . . . . . . . . 4941 1 27 . 1 1 14 14 LEU CG C 13 26.64 0.50 . 1 . . . . . . . . 4941 1 28 . 1 1 14 14 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 4941 1 29 . 1 1 14 14 LEU CD1 C 13 25.12 0.50 . 2 . . . . . . . . 4941 1 30 . 1 1 14 14 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 4941 1 31 . 1 1 14 14 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 4941 1 32 . 1 1 14 14 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 4941 1 33 . 1 1 14 14 LEU CD2 C 13 23.09 0.50 . 2 . . . . . . . . 4941 1 34 . 1 1 14 14 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 4941 1 35 . 1 1 14 14 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 4941 1 36 . 1 1 14 14 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 4941 1 37 . 1 1 15 15 VAL N N 15 122.88 0.50 . 1 . . . . . . . . 4941 1 38 . 1 1 15 15 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 4941 1 39 . 1 1 15 15 VAL CA C 13 59.91 0.50 . 1 . . . . . . . . 4941 1 40 . 1 1 15 15 VAL HA H 1 4.32 0.02 . 1 . . . . . . . . 4941 1 41 . 1 1 15 15 VAL CB C 13 32.90 0.50 . 1 . . . . . . . . 4941 1 42 . 1 1 15 15 VAL HB H 1 1.98 0.02 . 1 . . . . . . . . 4941 1 43 . 1 1 15 15 VAL CG1 C 13 20.55 0.50 . 2 . . . . . . . . 4941 1 44 . 1 1 15 15 VAL HG11 H 1 0.87 0.02 . 2 . . . . . . . . 4941 1 45 . 1 1 15 15 VAL HG12 H 1 0.87 0.02 . 2 . . . . . . . . 4941 1 46 . 1 1 15 15 VAL HG13 H 1 0.87 0.02 . 2 . . . . . . . . 4941 1 47 . 1 1 16 16 PRO CA C 13 63.21 0.50 . 1 . . . . . . . . 4941 1 48 . 1 1 16 16 PRO HA H 1 4.35 0.02 . 1 . . . . . . . . 4941 1 49 . 1 1 16 16 PRO CB C 13 32.28 0.50 . 1 . . . . . . . . 4941 1 50 . 1 1 16 16 PRO HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4941 1 51 . 1 1 16 16 PRO HB3 H 1 1.82 0.02 . 2 . . . . . . . . 4941 1 52 . 1 1 16 16 PRO CG C 13 27.11 0.50 . 1 . . . . . . . . 4941 1 53 . 1 1 16 16 PRO HG2 H 1 1.96 0.02 . 1 . . . . . . . . 4941 1 54 . 1 1 16 16 PRO HG3 H 1 1.96 0.02 . 1 . . . . . . . . 4941 1 55 . 1 1 16 16 PRO CD C 13 51.20 0.50 . 1 . . . . . . . . 4941 1 56 . 1 1 16 16 PRO HD2 H 1 3.81 0.02 . 2 . . . . . . . . 4941 1 57 . 1 1 16 16 PRO HD3 H 1 3.60 0.02 . 2 . . . . . . . . 4941 1 58 . 1 1 17 17 ARG N N 15 122.04 0.50 . 1 . . . . . . . . 4941 1 59 . 1 1 17 17 ARG H H 1 8.47 0.02 . 1 . . . . . . . . 4941 1 60 . 1 1 17 17 ARG CA C 13 56.50 0.50 . 1 . . . . . . . . 4941 1 61 . 1 1 17 17 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 4941 1 62 . 1 1 17 17 ARG CB C 13 31.00 0.50 . 1 . . . . . . . . 4941 1 63 . 1 1 17 17 ARG HB2 H 1 1.77 0.02 . 1 . . . . . . . . 4941 1 64 . 1 1 17 17 ARG HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4941 1 65 . 1 1 17 17 ARG CG C 13 27.47 0.50 . 1 . . . . . . . . 4941 1 66 . 1 1 17 17 ARG HG2 H 1 1.57 0.02 . 1 . . . . . . . . 4941 1 67 . 1 1 17 17 ARG HG3 H 1 1.57 0.02 . 1 . . . . . . . . 4941 1 68 . 1 1 17 17 ARG CD C 13 43.36 0.50 . 1 . . . . . . . . 4941 1 69 . 1 1 17 17 ARG HD2 H 1 3.16 0.02 . 1 . . . . . . . . 4941 1 70 . 1 1 17 17 ARG HD3 H 1 3.16 0.02 . 1 . . . . . . . . 4941 1 71 . 1 1 18 18 GLY N N 15 110.38 0.50 . 1 . . . . . . . . 4941 1 72 . 1 1 18 18 GLY H H 1 8.47 0.02 . 1 . . . . . . . . 4941 1 73 . 1 1 18 18 GLY CA C 13 45.66 0.50 . 1 . . . . . . . . 4941 1 74 . 1 1 18 18 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 4941 1 75 . 1 1 18 18 GLY HA3 H 1 3.95 0.02 . 1 . . . . . . . . 4941 1 76 . 1 1 19 19 SER N N 15 116.00 0.50 . 1 . . . . . . . . 4941 1 77 . 1 1 19 19 SER H H 1 8.13 0.02 . 1 . . . . . . . . 4941 1 78 . 1 1 19 19 SER CA C 13 59.00 0.50 . 1 . . . . . . . . 4941 1 79 . 1 1 19 19 SER HA H 1 4.37 0.02 . 1 . . . . . . . . 4941 1 80 . 1 1 19 19 SER CB C 13 64.00 0.50 . 1 . . . . . . . . 4941 1 81 . 1 1 19 19 SER HB2 H 1 3.76 0.02 . 1 . . . . . . . . 4941 1 82 . 1 1 19 19 SER HB3 H 1 3.76 0.02 . 1 . . . . . . . . 4941 1 83 . 1 1 20 20 HIS N N 15 120.53 0.50 . 1 . . . . . . . . 4941 1 84 . 1 1 20 20 HIS H H 1 8.55 0.02 . 1 . . . . . . . . 4941 1 85 . 1 1 20 20 HIS CA C 13 56.10 0.50 . 1 . . . . . . . . 4941 1 86 . 1 1 20 20 HIS HA H 1 4.64 0.02 . 1 . . . . . . . . 4941 1 87 . 1 1 20 20 HIS CB C 13 29.60 0.50 . 1 . . . . . . . . 4941 1 88 . 1 1 20 20 HIS HB3 H 1 3.19 0.02 . 2 . . . . . . . . 4941 1 89 . 1 1 20 20 HIS HB2 H 1 3.12 0.02 . 2 . . . . . . . . 4941 1 90 . 1 1 21 21 MET N N 15 121.61 0.50 . 1 . . . . . . . . 4941 1 91 . 1 1 21 21 MET H H 1 8.28 0.02 . 1 . . . . . . . . 4941 1 92 . 1 1 21 21 MET CA C 13 55.63 0.50 . 1 . . . . . . . . 4941 1 93 . 1 1 21 21 MET HA H 1 4.38 0.02 . 1 . . . . . . . . 4941 1 94 . 1 1 21 21 MET CB C 13 32.10 0.50 . 1 . . . . . . . . 4941 1 95 . 1 1 21 21 MET HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4941 1 96 . 1 1 21 21 MET HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4941 1 97 . 1 1 21 21 MET CG C 13 32.90 0.50 . 1 . . . . . . . . 4941 1 98 . 1 1 21 21 MET HG2 H 1 2.00 0.02 . 1 . . . . . . . . 4941 1 99 . 1 1 21 21 MET HG3 H 1 2.00 0.02 . 1 . . . . . . . . 4941 1 100 . 1 1 22 22 ALA N N 15 125.65 0.50 . 1 . . . . . . . . 4941 1 101 . 1 1 22 22 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 4941 1 102 . 1 1 22 22 ALA CA C 13 52.46 0.50 . 1 . . . . . . . . 4941 1 103 . 1 1 22 22 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 4941 1 104 . 1 1 22 22 ALA CB C 13 19.66 0.50 . 1 . . . . . . . . 4941 1 105 . 1 1 22 22 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 4941 1 106 . 1 1 22 22 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 4941 1 107 . 1 1 22 22 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 4941 1 108 . 1 1 23 23 SER N N 15 116.64 0.50 . 1 . . . . . . . . 4941 1 109 . 1 1 23 23 SER H H 1 8.30 0.02 . 1 . . . . . . . . 4941 1 110 . 1 1 23 23 SER CA C 13 56.46 0.50 . 1 . . . . . . . . 4941 1 111 . 1 1 23 23 SER HA H 1 4.70 0.02 . 1 . . . . . . . . 4941 1 112 . 1 1 23 23 SER CB C 13 63.43 0.50 . 1 . . . . . . . . 4941 1 113 . 1 1 23 23 SER HB2 H 1 3.79 0.02 . 1 . . . . . . . . 4941 1 114 . 1 1 23 23 SER HB3 H 1 3.79 0.02 . 1 . . . . . . . . 4941 1 115 . 1 1 24 24 PRO CA C 13 63.69 0.50 . 1 . . . . . . . . 4941 1 116 . 1 1 24 24 PRO HA H 1 4.37 0.02 . 1 . . . . . . . . 4941 1 117 . 1 1 24 24 PRO CB C 13 32.10 0.50 . 1 . . . . . . . . 4941 1 118 . 1 1 24 24 PRO HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4941 1 119 . 1 1 24 24 PRO HB3 H 1 2.20 0.02 . 2 . . . . . . . . 4941 1 120 . 1 1 24 24 PRO CG C 13 27.35 0.50 . 1 . . . . . . . . 4941 1 121 . 1 1 24 24 PRO HG2 H 1 1.95 0.02 . 1 . . . . . . . . 4941 1 122 . 1 1 24 24 PRO HG3 H 1 1.95 0.02 . 1 . . . . . . . . 4941 1 123 . 1 1 24 24 PRO CD C 13 50.90 0.50 . 1 . . . . . . . . 4941 1 124 . 1 1 24 24 PRO HD2 H 1 3.70 0.02 . 2 . . . . . . . . 4941 1 125 . 1 1 24 24 PRO HD3 H 1 3.79 0.02 . 2 . . . . . . . . 4941 1 126 . 1 1 25 25 GLU N N 15 120.50 0.50 . 1 . . . . . . . . 4941 1 127 . 1 1 25 25 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 4941 1 128 . 1 1 25 25 GLU CA C 13 57.00 0.50 . 1 . . . . . . . . 4941 1 129 . 1 1 25 25 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 4941 1 130 . 1 1 25 25 GLU CB C 13 30.35 0.50 . 1 . . . . . . . . 4941 1 131 . 1 1 25 25 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4941 1 132 . 1 1 25 25 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 4941 1 133 . 1 1 25 25 GLU CG C 13 36.29 0.50 . 1 . . . . . . . . 4941 1 134 . 1 1 25 25 GLU HG2 H 1 2.23 0.02 . 1 . . . . . . . . 4941 1 135 . 1 1 25 25 GLU HG3 H 1 2.23 0.02 . 1 . . . . . . . . 4941 1 136 . 1 1 26 26 GLY N N 15 109.73 0.50 . 1 . . . . . . . . 4941 1 137 . 1 1 26 26 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 4941 1 138 . 1 1 26 26 GLY CA C 13 45.40 0.50 . 1 . . . . . . . . 4941 1 139 . 1 1 26 26 GLY HA2 H 1 3.89 0.02 . 1 . . . . . . . . 4941 1 140 . 1 1 26 26 GLY HA3 H 1 3.89 0.02 . 1 . . . . . . . . 4941 1 141 . 1 1 27 27 LYS N N 15 121.02 0.50 . 1 . . . . . . . . 4941 1 142 . 1 1 27 27 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 4941 1 143 . 1 1 27 27 LYS CA C 13 56.57 0.50 . 1 . . . . . . . . 4941 1 144 . 1 1 27 27 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 4941 1 145 . 1 1 27 27 LYS CB C 13 33.31 0.50 . 1 . . . . . . . . 4941 1 146 . 1 1 27 27 LYS HB2 H 1 1.73 0.02 . 1 . . . . . . . . 4941 1 147 . 1 1 27 27 LYS HB3 H 1 1.73 0.02 . 1 . . . . . . . . 4941 1 148 . 1 1 27 27 LYS CG C 13 24.74 0.50 . 1 . . . . . . . . 4941 1 149 . 1 1 27 27 LYS HG2 H 1 1.35 0.02 . 1 . . . . . . . . 4941 1 150 . 1 1 27 27 LYS HG3 H 1 1.35 0.02 . 1 . . . . . . . . 4941 1 151 . 1 1 27 27 LYS CD C 13 29.00 0.50 . 1 . . . . . . . . 4941 1 152 . 1 1 27 27 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 4941 1 153 . 1 1 27 27 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 4941 1 154 . 1 1 27 27 LYS CE C 13 42.16 0.50 . 1 . . . . . . . . 4941 1 155 . 1 1 27 27 LYS HE2 H 1 2.91 0.02 . 1 . . . . . . . . 4941 1 156 . 1 1 27 27 LYS HE3 H 1 2.91 0.02 . 1 . . . . . . . . 4941 1 157 . 1 1 28 28 VAL N N 15 121.93 0.50 . 1 . . . . . . . . 4941 1 158 . 1 1 28 28 VAL H H 1 8.18 0.02 . 1 . . . . . . . . 4941 1 159 . 1 1 28 28 VAL CA C 13 62.56 0.50 . 1 . . . . . . . . 4941 1 160 . 1 1 28 28 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 4941 1 161 . 1 1 28 28 VAL CB C 13 32.86 0.50 . 1 . . . . . . . . 4941 1 162 . 1 1 28 28 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 4941 1 163 . 1 1 28 28 VAL CG1 C 13 21.05 0.50 . 1 . . . . . . . . 4941 1 164 . 1 1 28 28 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 4941 1 165 . 1 1 28 28 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 4941 1 166 . 1 1 28 28 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 4941 1 167 . 1 1 28 28 VAL CG2 C 13 21.05 0.50 . 1 . . . . . . . . 4941 1 168 . 1 1 28 28 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 4941 1 169 . 1 1 28 28 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 4941 1 170 . 1 1 28 28 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 4941 1 171 . 1 1 29 29 THR N N 15 119.64 0.50 . 1 . . . . . . . . 4941 1 172 . 1 1 29 29 THR H H 1 8.27 0.02 . 1 . . . . . . . . 4941 1 173 . 1 1 29 29 THR CA C 13 62.31 0.50 . 1 . . . . . . . . 4941 1 174 . 1 1 29 29 THR HA H 1 4.25 0.02 . 1 . . . . . . . . 4941 1 175 . 1 1 29 29 THR CB C 13 70.31 0.50 . 1 . . . . . . . . 4941 1 176 . 1 1 29 29 THR HB H 1 4.08 0.02 . 1 . . . . . . . . 4941 1 177 . 1 1 29 29 THR CG2 C 13 21.45 0.50 . 1 . . . . . . . . 4941 1 178 . 1 1 29 29 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 4941 1 179 . 1 1 29 29 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 4941 1 180 . 1 1 29 29 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 4941 1 181 . 1 1 30 30 LYS N N 15 124.73 0.50 . 1 . . . . . . . . 4941 1 182 . 1 1 30 30 LYS H H 1 8.32 0.02 . 1 . . . . . . . . 4941 1 183 . 1 1 30 30 LYS CA C 13 56.50 0.50 . 1 . . . . . . . . 4941 1 184 . 1 1 30 30 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 4941 1 185 . 1 1 30 30 LYS CB C 13 33.50 0.50 . 1 . . . . . . . . 4941 1 186 . 1 1 30 30 LYS HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4941 1 187 . 1 1 30 30 LYS HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4941 1 188 . 1 1 30 30 LYS CG C 13 24.84 0.50 . 1 . . . . . . . . 4941 1 189 . 1 1 30 30 LYS HG2 H 1 1.34 0.02 . 1 . . . . . . . . 4941 1 190 . 1 1 30 30 LYS HG3 H 1 1.34 0.02 . 1 . . . . . . . . 4941 1 191 . 1 1 30 30 LYS CD C 13 29.35 0.50 . 1 . . . . . . . . 4941 1 192 . 1 1 30 30 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 4941 1 193 . 1 1 30 30 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 4941 1 194 . 1 1 30 30 LYS CE C 13 42.40 0.50 . 1 . . . . . . . . 4941 1 195 . 1 1 30 30 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . 4941 1 196 . 1 1 30 30 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . 4941 1 197 . 1 1 31 31 ARG N N 15 123.34 0.50 . 1 . . . . . . . . 4941 1 198 . 1 1 31 31 ARG H H 1 8.40 0.02 . 1 . . . . . . . . 4941 1 199 . 1 1 31 31 ARG CA C 13 56.40 0.50 . 1 . . . . . . . . 4941 1 200 . 1 1 31 31 ARG HA H 1 4.20 0.02 . 1 . . . . . . . . 4941 1 201 . 1 1 31 31 ARG CB C 13 31.20 0.50 . 1 . . . . . . . . 4941 1 202 . 1 1 31 31 ARG HB2 H 1 1.68 0.02 . 1 . . . . . . . . 4941 1 203 . 1 1 31 31 ARG HB3 H 1 1.68 0.02 . 1 . . . . . . . . 4941 1 204 . 1 1 31 31 ARG CG C 13 27.14 0.50 . 1 . . . . . . . . 4941 1 205 . 1 1 31 31 ARG HG2 H 1 1.58 0.02 . 1 . . . . . . . . 4941 1 206 . 1 1 31 31 ARG HG3 H 1 1.58 0.02 . 1 . . . . . . . . 4941 1 207 . 1 1 31 31 ARG CD C 13 43.47 0.50 . 1 . . . . . . . . 4941 1 208 . 1 1 31 31 ARG HD2 H 1 3.13 0.02 . 1 . . . . . . . . 4941 1 209 . 1 1 31 31 ARG HD3 H 1 3.13 0.02 . 1 . . . . . . . . 4941 1 210 . 1 1 32 32 LYS N N 15 123.12 0.50 . 1 . . . . . . . . 4941 1 211 . 1 1 32 32 LYS H H 1 8.40 0.02 . 1 . . . . . . . . 4941 1 212 . 1 1 32 32 LYS CA C 13 56.10 0.50 . 1 . . . . . . . . 4941 1 213 . 1 1 32 32 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 4941 1 214 . 1 1 32 32 LYS CB C 13 33.31 0.50 . 1 . . . . . . . . 4941 1 215 . 1 1 32 32 LYS HB2 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 216 . 1 1 32 32 LYS HB3 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 217 . 1 1 32 32 LYS CG C 13 24.83 0.50 . 1 . . . . . . . . 4941 1 218 . 1 1 32 32 LYS HG2 H 1 1.33 0.02 . 1 . . . . . . . . 4941 1 219 . 1 1 32 32 LYS HG3 H 1 1.33 0.02 . 1 . . . . . . . . 4941 1 220 . 1 1 32 32 LYS CD C 13 29.35 0.50 . 1 . . . . . . . . 4941 1 221 . 1 1 32 32 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 222 . 1 1 32 32 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 223 . 1 1 32 32 LYS CE C 13 42.25 0.50 . 1 . . . . . . . . 4941 1 224 . 1 1 32 32 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 4941 1 225 . 1 1 32 32 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 4941 1 226 . 1 1 33 33 HIS N N 15 119.90 0.50 . 1 . . . . . . . . 4941 1 227 . 1 1 33 33 HIS H H 1 8.55 0.02 . 1 . . . . . . . . 4941 1 228 . 1 1 33 33 HIS CA C 13 55.86 0.50 . 1 . . . . . . . . 4941 1 229 . 1 1 33 33 HIS HA H 1 4.60 0.02 . 1 . . . . . . . . 4941 1 230 . 1 1 33 33 HIS CB C 13 29.70 0.50 . 1 . . . . . . . . 4941 1 231 . 1 1 33 33 HIS HB2 H 1 3.14 0.02 . 1 . . . . . . . . 4941 1 232 . 1 1 33 33 HIS HB3 H 1 3.14 0.02 . 1 . . . . . . . . 4941 1 233 . 1 1 34 34 ASP N N 15 121.95 0.50 . 1 . . . . . . . . 4941 1 234 . 1 1 34 34 ASP H H 1 8.37 0.02 . 1 . . . . . . . . 4941 1 235 . 1 1 34 34 ASP CA C 13 54.69 0.50 . 1 . . . . . . . . 4941 1 236 . 1 1 34 34 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 4941 1 237 . 1 1 34 34 ASP CB C 13 41.50 0.50 . 1 . . . . . . . . 4941 1 238 . 1 1 34 34 ASP HB2 H 1 2.58 0.02 . 1 . . . . . . . . 4941 1 239 . 1 1 34 34 ASP HB3 H 1 2.58 0.02 . 1 . . . . . . . . 4941 1 240 . 1 1 35 35 ASN N N 15 118.71 0.50 . 1 . . . . . . . . 4941 1 241 . 1 1 35 35 ASN H H 1 8.50 0.02 . 1 . . . . . . . . 4941 1 242 . 1 1 35 35 ASN CA C 13 53.68 0.50 . 1 . . . . . . . . 4941 1 243 . 1 1 35 35 ASN HA H 1 4.61 0.02 . 1 . . . . . . . . 4941 1 244 . 1 1 35 35 ASN CB C 13 39.59 0.50 . 1 . . . . . . . . 4941 1 245 . 1 1 35 35 ASN HB3 H 1 2.75 0.02 . 2 . . . . . . . . 4941 1 246 . 1 1 35 35 ASN HB2 H 1 2.72 0.02 . 2 . . . . . . . . 4941 1 247 . 1 1 35 35 ASN ND2 N 15 113.26 0.50 . 1 . . . . . . . . 4941 1 248 . 1 1 35 35 ASN HD21 H 1 7.58 0.02 . 1 . . . . . . . . 4941 1 249 . 1 1 35 35 ASN HD22 H 1 6.89 0.02 . 1 . . . . . . . . 4941 1 250 . 1 1 36 36 GLU N N 15 121.02 0.50 . 1 . . . . . . . . 4941 1 251 . 1 1 36 36 GLU H H 1 8.35 0.02 . 1 . . . . . . . . 4941 1 252 . 1 1 36 36 GLU CA C 13 57.18 0.50 . 1 . . . . . . . . 4941 1 253 . 1 1 36 36 GLU HA H 1 4.24 0.02 . 1 . . . . . . . . 4941 1 254 . 1 1 36 36 GLU CB C 13 30.48 0.50 . 1 . . . . . . . . 4941 1 255 . 1 1 36 36 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4941 1 256 . 1 1 36 36 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4941 1 257 . 1 1 36 36 GLU CG C 13 36.37 0.50 . 1 . . . . . . . . 4941 1 258 . 1 1 36 36 GLU HG2 H 1 2.23 0.02 . 1 . . . . . . . . 4941 1 259 . 1 1 36 36 GLU HG3 H 1 2.23 0.02 . 1 . . . . . . . . 4941 1 260 . 1 1 37 37 GLY N N 15 109.73 0.50 . 1 . . . . . . . . 4941 1 261 . 1 1 37 37 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 4941 1 262 . 1 1 37 37 GLY CA C 13 45.44 0.50 . 1 . . . . . . . . 4941 1 263 . 1 1 37 37 GLY HA2 H 1 3.93 0.02 . 1 . . . . . . . . 4941 1 264 . 1 1 37 37 GLY HA3 H 1 3.93 0.02 . 1 . . . . . . . . 4941 1 265 . 1 1 38 38 SER N N 15 115.70 0.50 . 1 . . . . . . . . 4941 1 266 . 1 1 38 38 SER H H 1 8.19 0.02 . 1 . . . . . . . . 4941 1 267 . 1 1 38 38 SER CA C 13 58.84 0.50 . 1 . . . . . . . . 4941 1 268 . 1 1 38 38 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 4941 1 269 . 1 1 38 38 SER CB C 13 64.07 0.50 . 1 . . . . . . . . 4941 1 270 . 1 1 38 38 SER HB2 H 1 3.74 0.02 . 1 . . . . . . . . 4941 1 271 . 1 1 38 38 SER HB3 H 1 3.74 0.02 . 1 . . . . . . . . 4941 1 272 . 1 1 39 39 GLY N N 15 110.61 0.50 . 1 . . . . . . . . 4941 1 273 . 1 1 39 39 GLY H H 1 8.38 0.02 . 1 . . . . . . . . 4941 1 274 . 1 1 39 39 GLY CA C 13 45.72 0.50 . 1 . . . . . . . . 4941 1 275 . 1 1 39 39 GLY HA2 H 1 3.89 0.02 . 1 . . . . . . . . 4941 1 276 . 1 1 39 39 GLY HA3 H 1 3.89 0.02 . 1 . . . . . . . . 4941 1 277 . 1 1 40 40 SER N N 15 115.70 0.50 . 1 . . . . . . . . 4941 1 278 . 1 1 40 40 SER H H 1 8.13 0.02 . 1 . . . . . . . . 4941 1 279 . 1 1 40 40 SER CA C 13 57.79 0.50 . 1 . . . . . . . . 4941 1 280 . 1 1 40 40 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 4941 1 281 . 1 1 40 40 SER CB C 13 64.86 0.50 . 1 . . . . . . . . 4941 1 282 . 1 1 40 40 SER HB2 H 1 3.79 0.02 . 1 . . . . . . . . 4941 1 283 . 1 1 40 40 SER HB3 H 1 3.79 0.02 . 1 . . . . . . . . 4941 1 284 . 1 1 41 41 LYS N N 15 123.11 0.50 . 1 . . . . . . . . 4941 1 285 . 1 1 41 41 LYS H H 1 8.29 0.02 . 1 . . . . . . . . 4941 1 286 . 1 1 41 41 LYS CA C 13 56.30 0.50 . 1 . . . . . . . . 4941 1 287 . 1 1 41 41 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 4941 1 288 . 1 1 41 41 LYS CB C 13 32.97 0.50 . 1 . . . . . . . . 4941 1 289 . 1 1 41 41 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 4941 1 290 . 1 1 41 41 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 4941 1 291 . 1 1 41 41 LYS CG C 13 24.04 0.50 . 1 . . . . . . . . 4941 1 292 . 1 1 41 41 LYS HG2 H 1 1.33 0.02 . 1 . . . . . . . . 4941 1 293 . 1 1 41 41 LYS HG3 H 1 1.33 0.02 . 1 . . . . . . . . 4941 1 294 . 1 1 41 41 LYS CD C 13 29.27 0.50 . 1 . . . . . . . . 4941 1 295 . 1 1 41 41 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 296 . 1 1 41 41 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 297 . 1 1 41 41 LYS CE C 13 42.23 0.50 . 1 . . . . . . . . 4941 1 298 . 1 1 41 41 LYS HE2 H 1 2.91 0.02 . 1 . . . . . . . . 4941 1 299 . 1 1 41 41 LYS HE3 H 1 2.91 0.02 . 1 . . . . . . . . 4941 1 300 . 1 1 42 42 ARG N N 15 123.57 0.50 . 1 . . . . . . . . 4941 1 301 . 1 1 42 42 ARG H H 1 8.24 0.02 . 1 . . . . . . . . 4941 1 302 . 1 1 42 42 ARG CA C 13 54.10 0.50 . 1 . . . . . . . . 4941 1 303 . 1 1 42 42 ARG HA H 1 4.53 0.02 . 1 . . . . . . . . 4941 1 304 . 1 1 42 42 ARG CB C 13 30.33 0.50 . 1 . . . . . . . . 4941 1 305 . 1 1 42 42 ARG HB3 H 1 1.78 0.02 . 2 . . . . . . . . 4941 1 306 . 1 1 42 42 ARG HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4941 1 307 . 1 1 42 42 ARG CG C 13 26.39 0.50 . 1 . . . . . . . . 4941 1 308 . 1 1 42 42 ARG HG2 H 1 1.62 0.02 . 1 . . . . . . . . 4941 1 309 . 1 1 42 42 ARG HG3 H 1 1.62 0.02 . 1 . . . . . . . . 4941 1 310 . 1 1 42 42 ARG CD C 13 43.15 0.50 . 1 . . . . . . . . 4941 1 311 . 1 1 42 42 ARG HD2 H 1 3.13 0.02 . 1 . . . . . . . . 4941 1 312 . 1 1 42 42 ARG HD3 H 1 3.13 0.02 . 1 . . . . . . . . 4941 1 313 . 1 1 43 43 PRO CA C 13 63.39 0.50 . 1 . . . . . . . . 4941 1 314 . 1 1 43 43 PRO HA H 1 4.33 0.02 . 1 . . . . . . . . 4941 1 315 . 1 1 43 43 PRO CB C 13 32.80 0.50 . 1 . . . . . . . . 4941 1 316 . 1 1 43 43 PRO HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4941 1 317 . 1 1 43 43 PRO HB3 H 1 2.22 0.02 . 2 . . . . . . . . 4941 1 318 . 1 1 43 43 PRO CG C 13 27.43 0.50 . 1 . . . . . . . . 4941 1 319 . 1 1 43 43 PRO HG2 H 1 1.96 0.02 . 1 . . . . . . . . 4941 1 320 . 1 1 43 43 PRO HG3 H 1 1.96 0.02 . 1 . . . . . . . . 4941 1 321 . 1 1 43 43 PRO CD C 13 50.71 0.50 . 1 . . . . . . . . 4941 1 322 . 1 1 43 43 PRO HD2 H 1 3.55 0.02 . 2 . . . . . . . . 4941 1 323 . 1 1 43 43 PRO HD3 H 1 3.72 0.02 . 2 . . . . . . . . 4941 1 324 . 1 1 44 44 LYS N N 15 122.18 0.50 . 1 . . . . . . . . 4941 1 325 . 1 1 44 44 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 4941 1 326 . 1 1 44 44 LYS CA C 13 56.48 0.50 . 1 . . . . . . . . 4941 1 327 . 1 1 44 44 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 4941 1 328 . 1 1 44 44 LYS CB C 13 33.37 0.50 . 1 . . . . . . . . 4941 1 329 . 1 1 44 44 LYS HB2 H 1 1.67 0.02 . 1 . . . . . . . . 4941 1 330 . 1 1 44 44 LYS HB3 H 1 1.67 0.02 . 1 . . . . . . . . 4941 1 331 . 1 1 44 44 LYS CG C 13 24.29 0.50 . 1 . . . . . . . . 4941 1 332 . 1 1 44 44 LYS HG2 H 1 1.34 0.02 . 1 . . . . . . . . 4941 1 333 . 1 1 44 44 LYS HG3 H 1 1.34 0.02 . 1 . . . . . . . . 4941 1 334 . 1 1 44 44 LYS CD C 13 29.27 0.50 . 1 . . . . . . . . 4941 1 335 . 1 1 44 44 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 4941 1 336 . 1 1 44 44 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 4941 1 337 . 1 1 44 44 LYS CE C 13 42.23 0.50 . 1 . . . . . . . . 4941 1 338 . 1 1 44 44 LYS HE2 H 1 2.90 0.02 . 1 . . . . . . . . 4941 1 339 . 1 1 44 44 LYS HE3 H 1 2.90 0.02 . 1 . . . . . . . . 4941 1 340 . 1 1 45 45 VAL N N 15 122.04 0.50 . 1 . . . . . . . . 4941 1 341 . 1 1 45 45 VAL H H 1 8.11 0.02 . 1 . . . . . . . . 4941 1 342 . 1 1 45 45 VAL CA C 13 62.80 0.50 . 1 . . . . . . . . 4941 1 343 . 1 1 45 45 VAL HA H 1 3.93 0.02 . 1 . . . . . . . . 4941 1 344 . 1 1 45 45 VAL CB C 13 32.99 0.50 . 1 . . . . . . . . 4941 1 345 . 1 1 45 45 VAL HB H 1 1.88 0.02 . 1 . . . . . . . . 4941 1 346 . 1 1 45 45 VAL CG1 C 13 20.29 0.50 . 2 . . . . . . . . 4941 1 347 . 1 1 45 45 VAL HG11 H 1 0.81 0.02 . 2 . . . . . . . . 4941 1 348 . 1 1 45 45 VAL HG12 H 1 0.81 0.02 . 2 . . . . . . . . 4941 1 349 . 1 1 45 45 VAL HG13 H 1 0.81 0.02 . 2 . . . . . . . . 4941 1 350 . 1 1 45 45 VAL CG2 C 13 21.11 0.50 . 2 . . . . . . . . 4941 1 351 . 1 1 45 45 VAL HG21 H 1 0.73 0.02 . 2 . . . . . . . . 4941 1 352 . 1 1 45 45 VAL HG22 H 1 0.73 0.02 . 2 . . . . . . . . 4941 1 353 . 1 1 45 45 VAL HG23 H 1 0.73 0.02 . 2 . . . . . . . . 4941 1 354 . 1 1 46 46 GLU N N 15 123.80 0.50 . 1 . . . . . . . . 4941 1 355 . 1 1 46 46 GLU H H 1 8.53 0.02 . 1 . . . . . . . . 4941 1 356 . 1 1 46 46 GLU CA C 13 57.10 0.50 . 1 . . . . . . . . 4941 1 357 . 1 1 46 46 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 4941 1 358 . 1 1 46 46 GLU CB C 13 30.99 0.50 . 1 . . . . . . . . 4941 1 359 . 1 1 46 46 GLU HB2 H 1 1.67 0.02 . 1 . . . . . . . . 4941 1 360 . 1 1 46 46 GLU HB3 H 1 1.67 0.02 . 1 . . . . . . . . 4941 1 361 . 1 1 46 46 GLU CG C 13 36.09 0.50 . 1 . . . . . . . . 4941 1 362 . 1 1 46 46 GLU HG3 H 1 1.90 0.02 . 2 . . . . . . . . 4941 1 363 . 1 1 46 46 GLU HG2 H 1 1.96 0.02 . 2 . . . . . . . . 4941 1 364 . 1 1 47 47 TYR N N 15 117.79 0.50 . 1 . . . . . . . . 4941 1 365 . 1 1 47 47 TYR H H 1 8.01 0.02 . 1 . . . . . . . . 4941 1 366 . 1 1 47 47 TYR CA C 13 56.33 0.50 . 1 . . . . . . . . 4941 1 367 . 1 1 47 47 TYR HA H 1 4.78 0.02 . 1 . . . . . . . . 4941 1 368 . 1 1 47 47 TYR CB C 13 39.13 0.50 . 1 . . . . . . . . 4941 1 369 . 1 1 47 47 TYR HB2 H 1 2.93 0.02 . 1 . . . . . . . . 4941 1 370 . 1 1 47 47 TYR HB3 H 1 3.09 0.02 . 1 . . . . . . . . 4941 1 371 . 1 1 47 47 TYR HD1 H 1 7.01 0.02 . 1 . . . . . . . . 4941 1 372 . 1 1 47 47 TYR CD1 C 13 132.38 0.50 . 1 . . . . . . . . 4941 1 373 . 1 1 47 47 TYR HD2 H 1 7.01 0.02 . 1 . . . . . . . . 4941 1 374 . 1 1 47 47 TYR CD2 C 13 132.38 0.50 . 1 . . . . . . . . 4941 1 375 . 1 1 47 47 TYR HE1 H 1 6.59 0.02 . 1 . . . . . . . . 4941 1 376 . 1 1 47 47 TYR CE1 C 13 118.15 0.50 . 1 . . . . . . . . 4941 1 377 . 1 1 47 47 TYR HE2 H 1 6.59 0.02 . 1 . . . . . . . . 4941 1 378 . 1 1 47 47 TYR CE2 C 13 118.15 0.50 . 1 . . . . . . . . 4941 1 379 . 1 1 48 48 SER N N 15 118.94 0.50 . 1 . . . . . . . . 4941 1 380 . 1 1 48 48 SER H H 1 8.61 0.02 . 1 . . . . . . . . 4941 1 381 . 1 1 48 48 SER CA C 13 58.10 0.50 . 1 . . . . . . . . 4941 1 382 . 1 1 48 48 SER HA H 1 4.45 0.02 . 1 . . . . . . . . 4941 1 383 . 1 1 48 48 SER CB C 13 65.15 0.50 . 1 . . . . . . . . 4941 1 384 . 1 1 48 48 SER HB2 H 1 4.03 0.02 . 2 . . . . . . . . 4941 1 385 . 1 1 48 48 SER HB3 H 1 4.27 0.02 . 2 . . . . . . . . 4941 1 386 . 1 1 49 49 GLU N N 15 123.57 0.50 . 1 . . . . . . . . 4941 1 387 . 1 1 49 49 GLU H H 1 9.10 0.02 . 1 . . . . . . . . 4941 1 388 . 1 1 49 49 GLU CA C 13 60.67 0.50 . 1 . . . . . . . . 4941 1 389 . 1 1 49 49 GLU HA H 1 3.67 0.02 . 1 . . . . . . . . 4941 1 390 . 1 1 49 49 GLU CB C 13 29.85 0.50 . 1 . . . . . . . . 4941 1 391 . 1 1 49 49 GLU HB2 H 1 2.02 0.02 . 1 . . . . . . . . 4941 1 392 . 1 1 49 49 GLU HB3 H 1 2.18 0.02 . 1 . . . . . . . . 4941 1 393 . 1 1 49 49 GLU CG C 13 37.15 0.50 . 1 . . . . . . . . 4941 1 394 . 1 1 49 49 GLU HG3 H 1 2.27 0.02 . 2 . . . . . . . . 4941 1 395 . 1 1 49 49 GLU HG2 H 1 2.51 0.02 . 2 . . . . . . . . 4941 1 396 . 1 1 50 50 GLU N N 15 116.86 0.50 . 1 . . . . . . . . 4941 1 397 . 1 1 50 50 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 4941 1 398 . 1 1 50 50 GLU CA C 13 59.97 0.50 . 1 . . . . . . . . 4941 1 399 . 1 1 50 50 GLU HA H 1 3.87 0.02 . 1 . . . . . . . . 4941 1 400 . 1 1 50 50 GLU CB C 13 29.27 0.50 . 1 . . . . . . . . 4941 1 401 . 1 1 50 50 GLU HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4941 1 402 . 1 1 50 50 GLU HB3 H 1 1.89 0.02 . 1 . . . . . . . . 4941 1 403 . 1 1 50 50 GLU CG C 13 36.34 0.50 . 1 . . . . . . . . 4941 1 404 . 1 1 50 50 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 4941 1 405 . 1 1 50 50 GLU HG3 H 1 2.36 0.02 . 1 . . . . . . . . 4941 1 406 . 1 1 51 51 GLU N N 15 120.56 0.50 . 1 . . . . . . . . 4941 1 407 . 1 1 51 51 GLU H H 1 7.76 0.02 . 1 . . . . . . . . 4941 1 408 . 1 1 51 51 GLU CA C 13 59.49 0.50 . 1 . . . . . . . . 4941 1 409 . 1 1 51 51 GLU HA H 1 3.95 0.02 . 1 . . . . . . . . 4941 1 410 . 1 1 51 51 GLU CB C 13 30.25 0.50 . 1 . . . . . . . . 4941 1 411 . 1 1 51 51 GLU HB2 H 1 2.11 0.02 . 1 . . . . . . . . 4941 1 412 . 1 1 51 51 GLU HB3 H 1 2.11 0.02 . 1 . . . . . . . . 4941 1 413 . 1 1 51 51 GLU CG C 13 36.85 0.50 . 1 . . . . . . . . 4941 1 414 . 1 1 51 51 GLU HG2 H 1 2.30 0.02 . 1 . . . . . . . . 4941 1 415 . 1 1 51 51 GLU HG3 H 1 2.30 0.02 . 1 . . . . . . . . 4941 1 416 . 1 1 52 52 LEU N N 15 120.31 0.50 . 1 . . . . . . . . 4941 1 417 . 1 1 52 52 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 4941 1 418 . 1 1 52 52 LEU CA C 13 58.64 0.50 . 1 . . . . . . . . 4941 1 419 . 1 1 52 52 LEU HA H 1 3.90 0.02 . 1 . . . . . . . . 4941 1 420 . 1 1 52 52 LEU CB C 13 41.08 0.50 . 1 . . . . . . . . 4941 1 421 . 1 1 52 52 LEU HB3 H 1 0.80 0.02 . 1 . . . . . . . . 4941 1 422 . 1 1 52 52 LEU HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4941 1 423 . 1 1 52 52 LEU CG C 13 27.17 0.50 . 1 . . . . . . . . 4941 1 424 . 1 1 52 52 LEU HG H 1 1.76 0.02 . 1 . . . . . . . . 4941 1 425 . 1 1 52 52 LEU CD1 C 13 27.17 0.50 . 2 . . . . . . . . 4941 1 426 . 1 1 52 52 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 4941 1 427 . 1 1 52 52 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 4941 1 428 . 1 1 52 52 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 4941 1 429 . 1 1 52 52 LEU CD2 C 13 23.34 0.50 . 2 . . . . . . . . 4941 1 430 . 1 1 52 52 LEU HD21 H 1 0.75 0.02 . 2 . . . . . . . . 4941 1 431 . 1 1 52 52 LEU HD22 H 1 0.75 0.02 . 2 . . . . . . . . 4941 1 432 . 1 1 52 52 LEU HD23 H 1 0.75 0.02 . 2 . . . . . . . . 4941 1 433 . 1 1 53 53 LYS N N 15 117.79 0.50 . 1 . . . . . . . . 4941 1 434 . 1 1 53 53 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 4941 1 435 . 1 1 53 53 LYS CA C 13 60.67 0.50 . 1 . . . . . . . . 4941 1 436 . 1 1 53 53 LYS HA H 1 3.62 0.02 . 1 . . . . . . . . 4941 1 437 . 1 1 53 53 LYS CB C 13 32.80 0.50 . 1 . . . . . . . . 4941 1 438 . 1 1 53 53 LYS HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4941 1 439 . 1 1 53 53 LYS HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4941 1 440 . 1 1 53 53 LYS CG C 13 26.40 0.50 . 1 . . . . . . . . 4941 1 441 . 1 1 53 53 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 4941 1 442 . 1 1 53 53 LYS HG3 H 1 1.16 0.02 . 2 . . . . . . . . 4941 1 443 . 1 1 53 53 LYS CD C 13 29.17 0.50 . 1 . . . . . . . . 4941 1 444 . 1 1 53 53 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 4941 1 445 . 1 1 53 53 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 4941 1 446 . 1 1 53 53 LYS CE C 13 41.89 0.50 . 1 . . . . . . . . 4941 1 447 . 1 1 53 53 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 4941 1 448 . 1 1 53 53 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 4941 1 449 . 1 1 54 54 THR N N 15 118.05 0.50 . 1 . . . . . . . . 4941 1 450 . 1 1 54 54 THR H H 1 7.94 0.02 . 1 . . . . . . . . 4941 1 451 . 1 1 54 54 THR CA C 13 67.17 0.50 . 1 . . . . . . . . 4941 1 452 . 1 1 54 54 THR HA H 1 3.86 0.02 . 1 . . . . . . . . 4941 1 453 . 1 1 54 54 THR CB C 13 68.20 0.50 . 1 . . . . . . . . 4941 1 454 . 1 1 54 54 THR HB H 1 4.11 0.02 . 1 . . . . . . . . 4941 1 455 . 1 1 54 54 THR CG2 C 13 21.59 0.50 . 1 . . . . . . . . 4941 1 456 . 1 1 54 54 THR HG21 H 1 0.99 0.02 . 1 . . . . . . . . 4941 1 457 . 1 1 54 54 THR HG22 H 1 0.99 0.02 . 1 . . . . . . . . 4941 1 458 . 1 1 54 54 THR HG23 H 1 0.99 0.02 . 1 . . . . . . . . 4941 1 459 . 1 1 55 55 HIS N N 15 120.33 0.50 . 1 . . . . . . . . 4941 1 460 . 1 1 55 55 HIS H H 1 7.89 0.02 . 1 . . . . . . . . 4941 1 461 . 1 1 55 55 HIS CA C 13 60.00 0.50 . 1 . . . . . . . . 4941 1 462 . 1 1 55 55 HIS HA H 1 4.32 0.02 . 1 . . . . . . . . 4941 1 463 . 1 1 55 55 HIS CB C 13 30.55 0.50 . 1 . . . . . . . . 4941 1 464 . 1 1 55 55 HIS HB2 H 1 2.95 0.02 . 1 . . . . . . . . 4941 1 465 . 1 1 55 55 HIS HB3 H 1 2.41 0.02 . 1 . . . . . . . . 4941 1 466 . 1 1 55 55 HIS HD2 H 1 6.78 0.02 . 1 . . . . . . . . 4941 1 467 . 1 1 55 55 HIS HE1 H 1 7.79 0.02 . 1 . . . . . . . . 4941 1 468 . 1 1 56 56 ILE N N 15 120.56 0.50 . 1 . . . . . . . . 4941 1 469 . 1 1 56 56 ILE H H 1 8.26 0.02 . 1 . . . . . . . . 4941 1 470 . 1 1 56 56 ILE CA C 13 65.23 0.50 . 1 . . . . . . . . 4941 1 471 . 1 1 56 56 ILE HA H 1 3.60 0.02 . 1 . . . . . . . . 4941 1 472 . 1 1 56 56 ILE CB C 13 38.05 0.50 . 1 . . . . . . . . 4941 1 473 . 1 1 56 56 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 4941 1 474 . 1 1 56 56 ILE CG1 C 13 31.32 0.50 . 1 . . . . . . . . 4941 1 475 . 1 1 56 56 ILE HG12 H 1 1.66 0.02 . 2 . . . . . . . . 4941 1 476 . 1 1 56 56 ILE HG13 H 1 0.92 0.02 . 2 . . . . . . . . 4941 1 477 . 1 1 56 56 ILE CG2 C 13 17.25 0.50 . 1 . . . . . . . . 4941 1 478 . 1 1 56 56 ILE HG21 H 1 0.90 0.02 . 1 . . . . . . . . 4941 1 479 . 1 1 56 56 ILE HG22 H 1 0.90 0.02 . 1 . . . . . . . . 4941 1 480 . 1 1 56 56 ILE HG23 H 1 0.90 0.02 . 1 . . . . . . . . 4941 1 481 . 1 1 56 56 ILE CD1 C 13 14.71 0.50 . 1 . . . . . . . . 4941 1 482 . 1 1 56 56 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 4941 1 483 . 1 1 56 56 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 4941 1 484 . 1 1 56 56 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 4941 1 485 . 1 1 57 57 SER N N 15 116.86 0.50 . 1 . . . . . . . . 4941 1 486 . 1 1 57 57 SER H H 1 8.26 0.02 . 1 . . . . . . . . 4941 1 487 . 1 1 57 57 SER CA C 13 61.70 0.50 . 1 . . . . . . . . 4941 1 488 . 1 1 57 57 SER HA H 1 4.18 0.02 . 1 . . . . . . . . 4941 1 489 . 1 1 57 57 SER CB C 13 63.20 0.50 . 1 . . . . . . . . 4941 1 490 . 1 1 57 57 SER HB2 H 1 3.97 0.02 . 1 . . . . . . . . 4941 1 491 . 1 1 57 57 SER HB3 H 1 3.97 0.02 . 1 . . . . . . . . 4941 1 492 . 1 1 58 58 LYS N N 15 117.55 0.50 . 1 . . . . . . . . 4941 1 493 . 1 1 58 58 LYS H H 1 8.19 0.02 . 1 . . . . . . . . 4941 1 494 . 1 1 58 58 LYS CA C 13 56.70 0.50 . 1 . . . . . . . . 4941 1 495 . 1 1 58 58 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 4941 1 496 . 1 1 58 58 LYS CB C 13 33.37 0.50 . 1 . . . . . . . . 4941 1 497 . 1 1 58 58 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4941 1 498 . 1 1 58 58 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4941 1 499 . 1 1 58 58 LYS CG C 13 25.40 0.50 . 1 . . . . . . . . 4941 1 500 . 1 1 58 58 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 4941 1 501 . 1 1 58 58 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 4941 1 502 . 1 1 58 58 LYS CD C 13 28.84 0.50 . 1 . . . . . . . . 4941 1 503 . 1 1 58 58 LYS HD2 H 1 1.52 0.02 . 1 . . . . . . . . 4941 1 504 . 1 1 58 58 LYS HD3 H 1 1.52 0.02 . 1 . . . . . . . . 4941 1 505 . 1 1 58 58 LYS CE C 13 42.17 0.50 . 1 . . . . . . . . 4941 1 506 . 1 1 58 58 LYS HE2 H 1 2.83 0.02 . 1 . . . . . . . . 4941 1 507 . 1 1 58 58 LYS HE3 H 1 2.83 0.02 . 1 . . . . . . . . 4941 1 508 . 1 1 59 59 GLY N N 15 108.30 0.50 . 1 . . . . . . . . 4941 1 509 . 1 1 59 59 GLY H H 1 7.80 0.02 . 1 . . . . . . . . 4941 1 510 . 1 1 59 59 GLY CA C 13 46.70 0.50 . 1 . . . . . . . . 4941 1 511 . 1 1 59 59 GLY HA2 H 1 4.07 0.02 . 1 . . . . . . . . 4941 1 512 . 1 1 59 59 GLY HA3 H 1 4.07 0.02 . 1 . . . . . . . . 4941 1 513 . 1 1 60 60 THR N N 15 108.97 0.50 . 1 . . . . . . . . 4941 1 514 . 1 1 60 60 THR H H 1 8.59 0.02 . 1 . . . . . . . . 4941 1 515 . 1 1 60 60 THR CA C 13 62.07 0.50 . 1 . . . . . . . . 4941 1 516 . 1 1 60 60 THR HA H 1 4.39 0.02 . 1 . . . . . . . . 4941 1 517 . 1 1 60 60 THR CB C 13 68.10 0.50 . 1 . . . . . . . . 4941 1 518 . 1 1 60 60 THR HB H 1 4.67 0.02 . 1 . . . . . . . . 4941 1 519 . 1 1 60 60 THR CG2 C 13 22.00 0.50 . 1 . . . . . . . . 4941 1 520 . 1 1 60 60 THR HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4941 1 521 . 1 1 60 60 THR HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4941 1 522 . 1 1 60 60 THR HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4941 1 523 . 1 1 61 61 LEU N N 15 126.35 0.50 . 1 . . . . . . . . 4941 1 524 . 1 1 61 61 LEU H H 1 7.71 0.02 . 1 . . . . . . . . 4941 1 525 . 1 1 61 61 LEU CA C 13 56.90 0.50 . 1 . . . . . . . . 4941 1 526 . 1 1 61 61 LEU HA H 1 3.44 0.02 . 1 . . . . . . . . 4941 1 527 . 1 1 61 61 LEU CB C 13 41.58 0.50 . 1 . . . . . . . . 4941 1 528 . 1 1 61 61 LEU HB2 H 1 0.80 0.02 . 1 . . . . . . . . 4941 1 529 . 1 1 61 61 LEU HB3 H 1 1.55 0.02 . 1 . . . . . . . . 4941 1 530 . 1 1 61 61 LEU CG C 13 25.90 0.50 . 1 . . . . . . . . 4941 1 531 . 1 1 61 61 LEU HG H 1 1.24 0.02 . 1 . . . . . . . . 4941 1 532 . 1 1 61 61 LEU CD1 C 13 25.62 0.50 . 2 . . . . . . . . 4941 1 533 . 1 1 61 61 LEU HD11 H 1 0.55 0.02 . 2 . . . . . . . . 4941 1 534 . 1 1 61 61 LEU HD12 H 1 0.55 0.02 . 2 . . . . . . . . 4941 1 535 . 1 1 61 61 LEU HD13 H 1 0.55 0.02 . 2 . . . . . . . . 4941 1 536 . 1 1 61 61 LEU CD2 C 13 22.83 0.50 . 2 . . . . . . . . 4941 1 537 . 1 1 61 61 LEU HD21 H 1 0.00 0.02 . 2 . . . . . . . . 4941 1 538 . 1 1 61 61 LEU HD22 H 1 0.00 0.02 . 2 . . . . . . . . 4941 1 539 . 1 1 61 61 LEU HD23 H 1 0.00 0.02 . 2 . . . . . . . . 4941 1 540 . 1 1 62 62 GLY N N 15 102.10 0.50 . 1 . . . . . . . . 4941 1 541 . 1 1 62 62 GLY H H 1 8.12 0.02 . 1 . . . . . . . . 4941 1 542 . 1 1 62 62 GLY CA C 13 46.27 0.50 . 1 . . . . . . . . 4941 1 543 . 1 1 62 62 GLY HA2 H 1 3.72 0.02 . 1 . . . . . . . . 4941 1 544 . 1 1 62 62 GLY HA3 H 1 3.72 0.02 . 1 . . . . . . . . 4941 1 545 . 1 1 63 63 LYS N N 15 118.02 0.50 . 1 . . . . . . . . 4941 1 546 . 1 1 63 63 LYS H H 1 7.41 0.02 . 1 . . . . . . . . 4941 1 547 . 1 1 63 63 LYS CA C 13 56.45 0.50 . 1 . . . . . . . . 4941 1 548 . 1 1 63 63 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 4941 1 549 . 1 1 63 63 LYS CB C 13 32.60 0.50 . 1 . . . . . . . . 4941 1 550 . 1 1 63 63 LYS HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4941 1 551 . 1 1 63 63 LYS HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4941 1 552 . 1 1 63 63 LYS CG C 13 24.99 0.50 . 1 . . . . . . . . 4941 1 553 . 1 1 63 63 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 4941 1 554 . 1 1 63 63 LYS HG3 H 1 1.45 0.02 . 1 . . . . . . . . 4941 1 555 . 1 1 63 63 LYS CD C 13 29.19 0.50 . 1 . . . . . . . . 4941 1 556 . 1 1 63 63 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 557 . 1 1 63 63 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 558 . 1 1 63 63 LYS CE C 13 42.27 0.50 . 1 . . . . . . . . 4941 1 559 . 1 1 63 63 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 4941 1 560 . 1 1 63 63 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 4941 1 561 . 1 1 64 64 PHE N N 15 122.64 0.50 . 1 . . . . . . . . 4941 1 562 . 1 1 64 64 PHE H H 1 8.03 0.02 . 1 . . . . . . . . 4941 1 563 . 1 1 64 64 PHE CA C 13 57.70 0.50 . 1 . . . . . . . . 4941 1 564 . 1 1 64 64 PHE HA H 1 4.41 0.02 . 1 . . . . . . . . 4941 1 565 . 1 1 64 64 PHE CB C 13 38.96 0.50 . 1 . . . . . . . . 4941 1 566 . 1 1 64 64 PHE HB3 H 1 3.01 0.02 . 1 . . . . . . . . 4941 1 567 . 1 1 64 64 PHE HB2 H 1 3.37 0.02 . 1 . . . . . . . . 4941 1 568 . 1 1 64 64 PHE HD1 H 1 6.87 0.02 . 1 . . . . . . . . 4941 1 569 . 1 1 64 64 PHE CD1 C 13 130.20 0.50 . 1 . . . . . . . . 4941 1 570 . 1 1 64 64 PHE HD2 H 1 6.87 0.02 . 1 . . . . . . . . 4941 1 571 . 1 1 64 64 PHE CD2 C 13 130.20 0.50 . 1 . . . . . . . . 4941 1 572 . 1 1 64 64 PHE HE1 H 1 6.40 0.02 . 1 . . . . . . . . 4941 1 573 . 1 1 64 64 PHE HE2 H 1 6.40 0.02 . 1 . . . . . . . . 4941 1 574 . 1 1 64 64 PHE HZ H 1 6.60 0.02 . 1 . . . . . . . . 4941 1 575 . 1 1 65 65 THR N N 15 110.61 0.50 . 1 . . . . . . . . 4941 1 576 . 1 1 65 65 THR H H 1 7.65 0.02 . 1 . . . . . . . . 4941 1 577 . 1 1 65 65 THR CA C 13 60.32 0.50 . 1 . . . . . . . . 4941 1 578 . 1 1 65 65 THR HA H 1 4.46 0.02 . 1 . . . . . . . . 4941 1 579 . 1 1 65 65 THR CB C 13 70.79 0.50 . 1 . . . . . . . . 4941 1 580 . 1 1 65 65 THR HB H 1 4.56 0.02 . 1 . . . . . . . . 4941 1 581 . 1 1 65 65 THR CG2 C 13 22.16 0.50 . 1 . . . . . . . . 4941 1 582 . 1 1 65 65 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . 4941 1 583 . 1 1 65 65 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . 4941 1 584 . 1 1 65 65 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . 4941 1 585 . 1 1 66 66 VAL N N 15 119.88 0.50 . 1 . . . . . . . . 4941 1 586 . 1 1 66 66 VAL H H 1 9.12 0.02 . 1 . . . . . . . . 4941 1 587 . 1 1 66 66 VAL CA C 13 69.24 0.50 . 1 . . . . . . . . 4941 1 588 . 1 1 66 66 VAL HA H 1 3.77 0.02 . 1 . . . . . . . . 4941 1 589 . 1 1 66 66 VAL CB C 13 29.44 0.50 . 1 . . . . . . . . 4941 1 590 . 1 1 66 66 VAL HB H 1 2.32 0.02 . 1 . . . . . . . . 4941 1 591 . 1 1 66 66 VAL CG1 C 13 24.35 0.50 . 2 . . . . . . . . 4941 1 592 . 1 1 66 66 VAL HG11 H 1 1.05 0.02 . 2 . . . . . . . . 4941 1 593 . 1 1 66 66 VAL HG12 H 1 1.05 0.02 . 2 . . . . . . . . 4941 1 594 . 1 1 66 66 VAL HG13 H 1 1.05 0.02 . 2 . . . . . . . . 4941 1 595 . 1 1 66 66 VAL CG2 C 13 21.05 0.50 . 2 . . . . . . . . 4941 1 596 . 1 1 66 66 VAL HG21 H 1 0.89 0.02 . 2 . . . . . . . . 4941 1 597 . 1 1 66 66 VAL HG22 H 1 0.89 0.02 . 2 . . . . . . . . 4941 1 598 . 1 1 66 66 VAL HG23 H 1 0.89 0.02 . 2 . . . . . . . . 4941 1 599 . 1 1 67 67 PRO CA C 13 66.80 0.50 . 1 . . . . . . . . 4941 1 600 . 1 1 67 67 PRO HA H 1 4.12 0.02 . 1 . . . . . . . . 4941 1 601 . 1 1 67 67 PRO CB C 13 31.32 0.50 . 1 . . . . . . . . 4941 1 602 . 1 1 67 67 PRO HB3 H 1 2.32 0.02 . 2 . . . . . . . . 4941 1 603 . 1 1 67 67 PRO HB2 H 1 1.70 0.02 . 2 . . . . . . . . 4941 1 604 . 1 1 67 67 PRO CG C 13 28.17 0.50 . 1 . . . . . . . . 4941 1 605 . 1 1 67 67 PRO HG2 H 1 2.09 0.02 . 2 . . . . . . . . 4941 1 606 . 1 1 67 67 PRO HG3 H 1 1.90 0.02 . 2 . . . . . . . . 4941 1 607 . 1 1 67 67 PRO CD C 13 49.13 0.50 . 1 . . . . . . . . 4941 1 608 . 1 1 67 67 PRO HD2 H 1 3.74 0.02 . 1 . . . . . . . . 4941 1 609 . 1 1 67 67 PRO HD3 H 1 3.74 0.02 . 1 . . . . . . . . 4941 1 610 . 1 1 68 68 MET N N 15 116.43 0.50 . 1 . . . . . . . . 4941 1 611 . 1 1 68 68 MET H H 1 7.16 0.02 . 1 . . . . . . . . 4941 1 612 . 1 1 68 68 MET CA C 13 58.73 0.50 . 1 . . . . . . . . 4941 1 613 . 1 1 68 68 MET HA H 1 4.09 0.02 . 1 . . . . . . . . 4941 1 614 . 1 1 68 68 MET CB C 13 34.70 0.50 . 1 . . . . . . . . 4941 1 615 . 1 1 68 68 MET HB2 H 1 2.11 0.02 . 1 . . . . . . . . 4941 1 616 . 1 1 68 68 MET HB3 H 1 2.11 0.02 . 1 . . . . . . . . 4941 1 617 . 1 1 68 68 MET CG C 13 31.90 0.50 . 1 . . . . . . . . 4941 1 618 . 1 1 68 68 MET HG2 H 1 2.47 0.02 . 1 . . . . . . . . 4941 1 619 . 1 1 68 68 MET HG3 H 1 2.47 0.02 . 1 . . . . . . . . 4941 1 620 . 1 1 68 68 MET CE C 13 15.50 0.50 . 1 . . . . . . . . 4941 1 621 . 1 1 68 68 MET HE1 H 1 1.41 0.02 . 1 . . . . . . . . 4941 1 622 . 1 1 68 68 MET HE2 H 1 1.41 0.02 . 1 . . . . . . . . 4941 1 623 . 1 1 68 68 MET HE3 H 1 1.41 0.02 . 1 . . . . . . . . 4941 1 624 . 1 1 69 69 LEU N N 15 119.64 0.50 . 1 . . . . . . . . 4941 1 625 . 1 1 69 69 LEU H H 1 8.36 0.02 . 1 . . . . . . . . 4941 1 626 . 1 1 69 69 LEU CA C 13 58.15 0.50 . 1 . . . . . . . . 4941 1 627 . 1 1 69 69 LEU HA H 1 3.92 0.02 . 1 . . . . . . . . 4941 1 628 . 1 1 69 69 LEU CB C 13 43.63 0.50 . 1 . . . . . . . . 4941 1 629 . 1 1 69 69 LEU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4941 1 630 . 1 1 69 69 LEU HB2 H 1 1.28 0.02 . 1 . . . . . . . . 4941 1 631 . 1 1 69 69 LEU CG C 13 26.60 0.50 . 1 . . . . . . . . 4941 1 632 . 1 1 69 69 LEU HG H 1 1.93 0.02 . 1 . . . . . . . . 4941 1 633 . 1 1 69 69 LEU CD1 C 13 23.43 0.50 . 2 . . . . . . . . 4941 1 634 . 1 1 69 69 LEU HD11 H 1 0.61 0.02 . 2 . . . . . . . . 4941 1 635 . 1 1 69 69 LEU HD12 H 1 0.61 0.02 . 2 . . . . . . . . 4941 1 636 . 1 1 69 69 LEU HD13 H 1 0.61 0.02 . 2 . . . . . . . . 4941 1 637 . 1 1 69 69 LEU CD2 C 13 26.89 0.50 . 2 . . . . . . . . 4941 1 638 . 1 1 69 69 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . 4941 1 639 . 1 1 69 69 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . 4941 1 640 . 1 1 69 69 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . 4941 1 641 . 1 1 70 70 LYS N N 15 119.64 0.50 . 1 . . . . . . . . 4941 1 642 . 1 1 70 70 LYS H H 1 8.99 0.02 . 1 . . . . . . . . 4941 1 643 . 1 1 70 70 LYS CA C 13 60.30 0.50 . 1 . . . . . . . . 4941 1 644 . 1 1 70 70 LYS HA H 1 3.82 0.02 . 1 . . . . . . . . 4941 1 645 . 1 1 70 70 LYS CB C 13 32.68 0.50 . 1 . . . . . . . . 4941 1 646 . 1 1 70 70 LYS HB2 H 1 1.80 0.02 . 1 . . . . . . . . 4941 1 647 . 1 1 70 70 LYS HB3 H 1 1.80 0.02 . 1 . . . . . . . . 4941 1 648 . 1 1 70 70 LYS CG C 13 26.33 0.50 . 1 . . . . . . . . 4941 1 649 . 1 1 70 70 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 4941 1 650 . 1 1 70 70 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 4941 1 651 . 1 1 70 70 LYS CD C 13 29.90 0.50 . 1 . . . . . . . . 4941 1 652 . 1 1 70 70 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 653 . 1 1 70 70 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 654 . 1 1 70 70 LYS CE C 13 41.80 0.50 . 1 . . . . . . . . 4941 1 655 . 1 1 70 70 LYS HE2 H 1 2.86 0.02 . 1 . . . . . . . . 4941 1 656 . 1 1 70 70 LYS HE3 H 1 2.86 0.02 . 1 . . . . . . . . 4941 1 657 . 1 1 71 71 GLU N N 15 120.33 0.50 . 1 . . . . . . . . 4941 1 658 . 1 1 71 71 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 4941 1 659 . 1 1 71 71 GLU CA C 13 58.85 0.50 . 1 . . . . . . . . 4941 1 660 . 1 1 71 71 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 4941 1 661 . 1 1 71 71 GLU CB C 13 29.10 0.50 . 1 . . . . . . . . 4941 1 662 . 1 1 71 71 GLU HB2 H 1 2.09 0.02 . 1 . . . . . . . . 4941 1 663 . 1 1 71 71 GLU HB3 H 1 2.09 0.02 . 1 . . . . . . . . 4941 1 664 . 1 1 71 71 GLU CG C 13 36.19 0.50 . 1 . . . . . . . . 4941 1 665 . 1 1 71 71 GLU HG2 H 1 2.34 0.02 . 1 . . . . . . . . 4941 1 666 . 1 1 71 71 GLU HG3 H 1 2.34 0.02 . 1 . . . . . . . . 4941 1 667 . 1 1 72 72 ALA N N 15 123.10 0.50 . 1 . . . . . . . . 4941 1 668 . 1 1 72 72 ALA H H 1 8.18 0.02 . 1 . . . . . . . . 4941 1 669 . 1 1 72 72 ALA CA C 13 55.60 0.50 . 1 . . . . . . . . 4941 1 670 . 1 1 72 72 ALA HA H 1 3.98 0.02 . 1 . . . . . . . . 4941 1 671 . 1 1 72 72 ALA CB C 13 18.00 0.50 . 1 . . . . . . . . 4941 1 672 . 1 1 72 72 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 4941 1 673 . 1 1 72 72 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 4941 1 674 . 1 1 72 72 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 4941 1 675 . 1 1 73 73 CYS N N 15 113.85 0.50 . 1 . . . . . . . . 4941 1 676 . 1 1 73 73 CYS H H 1 8.30 0.02 . 1 . . . . . . . . 4941 1 677 . 1 1 73 73 CYS CA C 13 65.60 0.50 . 1 . . . . . . . . 4941 1 678 . 1 1 73 73 CYS HA H 1 3.98 0.02 . 1 . . . . . . . . 4941 1 679 . 1 1 73 73 CYS CB C 13 26.20 0.50 . 1 . . . . . . . . 4941 1 680 . 1 1 73 73 CYS HB2 H 1 2.96 0.02 . 1 . . . . . . . . 4941 1 681 . 1 1 73 73 CYS HB3 H 1 2.69 0.02 . 1 . . . . . . . . 4941 1 682 . 1 1 74 74 ARG N N 15 120.33 0.50 . 1 . . . . . . . . 4941 1 683 . 1 1 74 74 ARG H H 1 8.12 0.02 . 1 . . . . . . . . 4941 1 684 . 1 1 74 74 ARG CA C 13 59.32 0.50 . 1 . . . . . . . . 4941 1 685 . 1 1 74 74 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 4941 1 686 . 1 1 74 74 ARG CB C 13 29.43 0.50 . 1 . . . . . . . . 4941 1 687 . 1 1 74 74 ARG HB2 H 1 1.85 0.02 . 1 . . . . . . . . 4941 1 688 . 1 1 74 74 ARG HB3 H 1 1.85 0.02 . 1 . . . . . . . . 4941 1 689 . 1 1 74 74 ARG CG C 13 24.70 0.50 . 1 . . . . . . . . 4941 1 690 . 1 1 74 74 ARG HG2 H 1 1.42 0.02 . 1 . . . . . . . . 4941 1 691 . 1 1 74 74 ARG HG3 H 1 1.42 0.02 . 1 . . . . . . . . 4941 1 692 . 1 1 74 74 ARG CD C 13 42.40 0.50 . 1 . . . . . . . . 4941 1 693 . 1 1 74 74 ARG HD2 H 1 3.13 0.02 . 1 . . . . . . . . 4941 1 694 . 1 1 74 74 ARG HD3 H 1 3.13 0.02 . 1 . . . . . . . . 4941 1 695 . 1 1 75 75 ALA N N 15 122.41 0.50 . 1 . . . . . . . . 4941 1 696 . 1 1 75 75 ALA H H 1 8.12 0.02 . 1 . . . . . . . . 4941 1 697 . 1 1 75 75 ALA CA C 13 54.87 0.50 . 1 . . . . . . . . 4941 1 698 . 1 1 75 75 ALA HA H 1 3.87 0.02 . 1 . . . . . . . . 4941 1 699 . 1 1 75 75 ALA CB C 13 17.98 0.50 . 1 . . . . . . . . 4941 1 700 . 1 1 75 75 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 4941 1 701 . 1 1 75 75 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 4941 1 702 . 1 1 75 75 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 4941 1 703 . 1 1 76 76 TYR N N 15 113.16 0.50 . 1 . . . . . . . . 4941 1 704 . 1 1 76 76 TYR H H 1 7.15 0.02 . 1 . . . . . . . . 4941 1 705 . 1 1 76 76 TYR CA C 13 58.50 0.50 . 1 . . . . . . . . 4941 1 706 . 1 1 76 76 TYR HA H 1 4.37 0.02 . 1 . . . . . . . . 4941 1 707 . 1 1 76 76 TYR CB C 13 38.70 0.50 . 1 . . . . . . . . 4941 1 708 . 1 1 76 76 TYR HB3 H 1 2.87 0.02 . 1 . . . . . . . . 4941 1 709 . 1 1 76 76 TYR HB2 H 1 2.19 0.02 . 1 . . . . . . . . 4941 1 710 . 1 1 76 76 TYR HD1 H 1 7.37 0.02 . 1 . . . . . . . . 4941 1 711 . 1 1 76 76 TYR CD1 C 13 133.39 0.50 . 1 . . . . . . . . 4941 1 712 . 1 1 76 76 TYR HD2 H 1 7.37 0.02 . 1 . . . . . . . . 4941 1 713 . 1 1 76 76 TYR CD2 C 13 133.39 0.50 . 1 . . . . . . . . 4941 1 714 . 1 1 76 76 TYR HE1 H 1 6.97 0.02 . 1 . . . . . . . . 4941 1 715 . 1 1 76 76 TYR CE1 C 13 117.65 0.50 . 1 . . . . . . . . 4941 1 716 . 1 1 76 76 TYR HE2 H 1 6.97 0.02 . 1 . . . . . . . . 4941 1 717 . 1 1 76 76 TYR CE2 C 13 117.65 0.50 . 1 . . . . . . . . 4941 1 718 . 1 1 77 77 GLY N N 15 109.46 0.50 . 1 . . . . . . . . 4941 1 719 . 1 1 77 77 GLY H H 1 7.68 0.02 . 1 . . . . . . . . 4941 1 720 . 1 1 77 77 GLY CA C 13 46.80 0.50 . 1 . . . . . . . . 4941 1 721 . 1 1 77 77 GLY HA2 H 1 3.80 0.02 . 1 . . . . . . . . 4941 1 722 . 1 1 77 77 GLY HA3 H 1 3.80 0.02 . 1 . . . . . . . . 4941 1 723 . 1 1 78 78 LEU N N 15 118.48 0.50 . 1 . . . . . . . . 4941 1 724 . 1 1 78 78 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 4941 1 725 . 1 1 78 78 LEU CA C 13 54.01 0.50 . 1 . . . . . . . . 4941 1 726 . 1 1 78 78 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 4941 1 727 . 1 1 78 78 LEU CB C 13 41.78 0.50 . 1 . . . . . . . . 4941 1 728 . 1 1 78 78 LEU HB3 H 1 1.44 0.02 . 2 . . . . . . . . 4941 1 729 . 1 1 78 78 LEU HB2 H 1 1.22 0.02 . 2 . . . . . . . . 4941 1 730 . 1 1 78 78 LEU CG C 13 26.13 0.50 . 1 . . . . . . . . 4941 1 731 . 1 1 78 78 LEU HG H 1 1.38 0.02 . 1 . . . . . . . . 4941 1 732 . 1 1 78 78 LEU CD1 C 13 21.70 0.50 . 2 . . . . . . . . 4941 1 733 . 1 1 78 78 LEU HD11 H 1 0.33 0.02 . 2 . . . . . . . . 4941 1 734 . 1 1 78 78 LEU HD12 H 1 0.33 0.02 . 2 . . . . . . . . 4941 1 735 . 1 1 78 78 LEU HD13 H 1 0.33 0.02 . 2 . . . . . . . . 4941 1 736 . 1 1 78 78 LEU CD2 C 13 25.60 0.50 . 2 . . . . . . . . 4941 1 737 . 1 1 78 78 LEU HD21 H 1 0.62 0.02 . 2 . . . . . . . . 4941 1 738 . 1 1 78 78 LEU HD22 H 1 0.62 0.02 . 2 . . . . . . . . 4941 1 739 . 1 1 78 78 LEU HD23 H 1 0.62 0.02 . 2 . . . . . . . . 4941 1 740 . 1 1 79 79 LYS N N 15 124.26 0.50 . 1 . . . . . . . . 4941 1 741 . 1 1 79 79 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 4941 1 742 . 1 1 79 79 LYS CA C 13 56.40 0.50 . 1 . . . . . . . . 4941 1 743 . 1 1 79 79 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 4941 1 744 . 1 1 79 79 LYS CB C 13 32.80 0.50 . 1 . . . . . . . . 4941 1 745 . 1 1 79 79 LYS HB2 H 1 1.66 0.02 . 1 . . . . . . . . 4941 1 746 . 1 1 79 79 LYS HB3 H 1 1.66 0.02 . 1 . . . . . . . . 4941 1 747 . 1 1 79 79 LYS CG C 13 24.73 0.50 . 1 . . . . . . . . 4941 1 748 . 1 1 79 79 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 4941 1 749 . 1 1 79 79 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 4941 1 750 . 1 1 79 79 LYS CD C 13 29.01 0.50 . 1 . . . . . . . . 4941 1 751 . 1 1 79 79 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 4941 1 752 . 1 1 79 79 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 4941 1 753 . 1 1 79 79 LYS CE C 13 42.27 0.50 . 1 . . . . . . . . 4941 1 754 . 1 1 79 79 LYS HE2 H 1 2.91 0.02 . 1 . . . . . . . . 4941 1 755 . 1 1 79 79 LYS HE3 H 1 2.91 0.02 . 1 . . . . . . . . 4941 1 756 . 1 1 80 80 SER N N 15 117.09 0.50 . 1 . . . . . . . . 4941 1 757 . 1 1 80 80 SER H H 1 7.96 0.02 . 1 . . . . . . . . 4941 1 758 . 1 1 80 80 SER CA C 13 57.62 0.50 . 1 . . . . . . . . 4941 1 759 . 1 1 80 80 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 4941 1 760 . 1 1 80 80 SER CB C 13 65.90 0.50 . 1 . . . . . . . . 4941 1 761 . 1 1 80 80 SER HB3 H 1 3.66 0.02 . 2 . . . . . . . . 4941 1 762 . 1 1 80 80 SER HB2 H 1 3.45 0.02 . 2 . . . . . . . . 4941 1 763 . 1 1 81 81 GLY N N 15 109.80 0.50 . 1 . . . . . . . . 4941 1 764 . 1 1 81 81 GLY H H 1 8.28 0.02 . 1 . . . . . . . . 4941 1 765 . 1 1 81 81 GLY CA C 13 45.31 0.50 . 1 . . . . . . . . 4941 1 766 . 1 1 81 81 GLY HA2 H 1 4.14 0.02 . 2 . . . . . . . . 4941 1 767 . 1 1 81 81 GLY HA3 H 1 3.79 0.02 . 2 . . . . . . . . 4941 1 768 . 1 1 82 82 LEU N N 15 116.86 0.50 . 1 . . . . . . . . 4941 1 769 . 1 1 82 82 LEU H H 1 7.84 0.02 . 1 . . . . . . . . 4941 1 770 . 1 1 82 82 LEU CA C 13 55.04 0.50 . 1 . . . . . . . . 4941 1 771 . 1 1 82 82 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 4941 1 772 . 1 1 82 82 LEU CB C 13 43.40 0.50 . 1 . . . . . . . . 4941 1 773 . 1 1 82 82 LEU HB2 H 1 1.53 0.02 . 2 . . . . . . . . 4941 1 774 . 1 1 82 82 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 4941 1 775 . 1 1 82 82 LEU CG C 13 27.32 0.50 . 1 . . . . . . . . 4941 1 776 . 1 1 82 82 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 4941 1 777 . 1 1 82 82 LEU CD1 C 13 25.44 0.50 . 2 . . . . . . . . 4941 1 778 . 1 1 82 82 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . 4941 1 779 . 1 1 82 82 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . 4941 1 780 . 1 1 82 82 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . 4941 1 781 . 1 1 82 82 LEU CD2 C 13 23.09 0.50 . 2 . . . . . . . . 4941 1 782 . 1 1 82 82 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . 4941 1 783 . 1 1 82 82 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . 4941 1 784 . 1 1 82 82 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . 4941 1 785 . 1 1 83 83 LYS N N 15 118.25 0.50 . 1 . . . . . . . . 4941 1 786 . 1 1 83 83 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 4941 1 787 . 1 1 83 83 LYS CA C 13 56.40 0.50 . 1 . . . . . . . . 4941 1 788 . 1 1 83 83 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 4941 1 789 . 1 1 83 83 LYS CB C 13 33.20 0.50 . 1 . . . . . . . . 4941 1 790 . 1 1 83 83 LYS HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4941 1 791 . 1 1 83 83 LYS HB2 H 1 1.62 0.02 . 2 . . . . . . . . 4941 1 792 . 1 1 83 83 LYS CG C 13 25.73 0.50 . 1 . . . . . . . . 4941 1 793 . 1 1 83 83 LYS HG2 H 1 1.43 0.02 . 1 . . . . . . . . 4941 1 794 . 1 1 83 83 LYS HG3 H 1 1.43 0.02 . 1 . . . . . . . . 4941 1 795 . 1 1 83 83 LYS CD C 13 29.26 0.50 . 1 . . . . . . . . 4941 1 796 . 1 1 83 83 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 797 . 1 1 83 83 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 4941 1 798 . 1 1 83 83 LYS CE C 13 42.17 0.50 . 1 . . . . . . . . 4941 1 799 . 1 1 83 83 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 4941 1 800 . 1 1 83 83 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 4941 1 801 . 1 1 84 84 LYS N N 15 123.77 0.50 . 1 . . . . . . . . 4941 1 802 . 1 1 84 84 LYS H H 1 9.07 0.02 . 1 . . . . . . . . 4941 1 803 . 1 1 84 84 LYS CA C 13 61.40 0.50 . 1 . . . . . . . . 4941 1 804 . 1 1 84 84 LYS HA H 1 3.63 0.02 . 1 . . . . . . . . 4941 1 805 . 1 1 84 84 LYS CB C 13 33.10 0.50 . 1 . . . . . . . . 4941 1 806 . 1 1 84 84 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 4941 1 807 . 1 1 84 84 LYS HB3 H 1 1.79 0.02 . 1 . . . . . . . . 4941 1 808 . 1 1 84 84 LYS CG C 13 25.90 0.50 . 1 . . . . . . . . 4941 1 809 . 1 1 84 84 LYS HG2 H 1 1.25 0.02 . 1 . . . . . . . . 4941 1 810 . 1 1 84 84 LYS HG3 H 1 1.25 0.02 . 1 . . . . . . . . 4941 1 811 . 1 1 84 84 LYS CD C 13 29.78 0.50 . 1 . . . . . . . . 4941 1 812 . 1 1 84 84 LYS HD2 H 1 2.02 0.02 . 1 . . . . . . . . 4941 1 813 . 1 1 84 84 LYS HD3 H 1 2.02 0.02 . 1 . . . . . . . . 4941 1 814 . 1 1 84 84 LYS CE C 13 42.84 0.50 . 1 . . . . . . . . 4941 1 815 . 1 1 84 84 LYS HE2 H 1 2.85 0.02 . 1 . . . . . . . . 4941 1 816 . 1 1 84 84 LYS HE3 H 1 2.85 0.02 . 1 . . . . . . . . 4941 1 817 . 1 1 85 85 GLN N N 15 114.32 0.50 . 1 . . . . . . . . 4941 1 818 . 1 1 85 85 GLN H H 1 8.92 0.02 . 1 . . . . . . . . 4941 1 819 . 1 1 85 85 GLN CA C 13 58.34 0.50 . 1 . . . . . . . . 4941 1 820 . 1 1 85 85 GLN HA H 1 3.88 0.02 . 1 . . . . . . . . 4941 1 821 . 1 1 85 85 GLN CB C 13 28.50 0.50 . 1 . . . . . . . . 4941 1 822 . 1 1 85 85 GLN HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4941 1 823 . 1 1 85 85 GLN HB3 H 1 2.07 0.02 . 1 . . . . . . . . 4941 1 824 . 1 1 85 85 GLN CG C 13 33.34 0.50 . 1 . . . . . . . . 4941 1 825 . 1 1 85 85 GLN HG2 H 1 2.37 0.02 . 1 . . . . . . . . 4941 1 826 . 1 1 85 85 GLN HG3 H 1 2.37 0.02 . 1 . . . . . . . . 4941 1 827 . 1 1 85 85 GLN NE2 N 15 112.76 0.50 . 1 . . . . . . . . 4941 1 828 . 1 1 85 85 GLN HE21 H 1 7.74 0.02 . 2 . . . . . . . . 4941 1 829 . 1 1 85 85 GLN HE22 H 1 6.80 0.02 . 2 . . . . . . . . 4941 1 830 . 1 1 86 86 GLU N N 15 117.50 0.50 . 1 . . . . . . . . 4941 1 831 . 1 1 86 86 GLU H H 1 6.91 0.02 . 1 . . . . . . . . 4941 1 832 . 1 1 86 86 GLU CA C 13 58.81 0.50 . 1 . . . . . . . . 4941 1 833 . 1 1 86 86 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 4941 1 834 . 1 1 86 86 GLU CB C 13 29.61 0.50 . 1 . . . . . . . . 4941 1 835 . 1 1 86 86 GLU HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4941 1 836 . 1 1 86 86 GLU HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4941 1 837 . 1 1 86 86 GLU CG C 13 37.40 0.50 . 1 . . . . . . . . 4941 1 838 . 1 1 86 86 GLU HG2 H 1 2.22 0.02 . 1 . . . . . . . . 4941 1 839 . 1 1 86 86 GLU HG3 H 1 2.22 0.02 . 1 . . . . . . . . 4941 1 840 . 1 1 87 87 LEU N N 15 123.34 0.50 . 1 . . . . . . . . 4941 1 841 . 1 1 87 87 LEU H H 1 7.80 0.02 . 1 . . . . . . . . 4941 1 842 . 1 1 87 87 LEU CA C 13 58.00 0.50 . 1 . . . . . . . . 4941 1 843 . 1 1 87 87 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 4941 1 844 . 1 1 87 87 LEU CB C 13 43.82 0.50 . 1 . . . . . . . . 4941 1 845 . 1 1 87 87 LEU HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4941 1 846 . 1 1 87 87 LEU HB3 H 1 1.22 0.02 . 1 . . . . . . . . 4941 1 847 . 1 1 87 87 LEU CG C 13 26.90 0.50 . 1 . . . . . . . . 4941 1 848 . 1 1 87 87 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 4941 1 849 . 1 1 87 87 LEU CD1 C 13 25.35 0.50 . 2 . . . . . . . . 4941 1 850 . 1 1 87 87 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 4941 1 851 . 1 1 87 87 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 4941 1 852 . 1 1 87 87 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 4941 1 853 . 1 1 87 87 LEU CD2 C 13 28.01 0.50 . 2 . . . . . . . . 4941 1 854 . 1 1 87 87 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . 4941 1 855 . 1 1 87 87 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . 4941 1 856 . 1 1 87 87 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . 4941 1 857 . 1 1 88 88 LEU N N 15 117.32 0.50 . 1 . . . . . . . . 4941 1 858 . 1 1 88 88 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 4941 1 859 . 1 1 88 88 LEU CA C 13 58.27 0.50 . 1 . . . . . . . . 4941 1 860 . 1 1 88 88 LEU HA H 1 3.76 0.02 . 1 . . . . . . . . 4941 1 861 . 1 1 88 88 LEU CB C 13 42.34 0.50 . 1 . . . . . . . . 4941 1 862 . 1 1 88 88 LEU HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4941 1 863 . 1 1 88 88 LEU HB2 H 1 1.42 0.02 . 2 . . . . . . . . 4941 1 864 . 1 1 88 88 LEU CG C 13 26.05 0.50 . 1 . . . . . . . . 4941 1 865 . 1 1 88 88 LEU HG H 1 1.60 0.02 . 1 . . . . . . . . 4941 1 866 . 1 1 88 88 LEU CD1 C 13 25.62 0.50 . 2 . . . . . . . . 4941 1 867 . 1 1 88 88 LEU HD11 H 1 0.71 0.02 . 2 . . . . . . . . 4941 1 868 . 1 1 88 88 LEU HD12 H 1 0.71 0.02 . 2 . . . . . . . . 4941 1 869 . 1 1 88 88 LEU HD13 H 1 0.71 0.02 . 2 . . . . . . . . 4941 1 870 . 1 1 88 88 LEU CD2 C 13 24.53 0.50 . 2 . . . . . . . . 4941 1 871 . 1 1 88 88 LEU HD21 H 1 0.61 0.02 . 2 . . . . . . . . 4941 1 872 . 1 1 88 88 LEU HD22 H 1 0.61 0.02 . 2 . . . . . . . . 4941 1 873 . 1 1 88 88 LEU HD23 H 1 0.61 0.02 . 2 . . . . . . . . 4941 1 874 . 1 1 89 89 GLU N N 15 121.26 0.50 . 1 . . . . . . . . 4941 1 875 . 1 1 89 89 GLU H H 1 7.96 0.02 . 1 . . . . . . . . 4941 1 876 . 1 1 89 89 GLU CA C 13 59.65 0.50 . 1 . . . . . . . . 4941 1 877 . 1 1 89 89 GLU HA H 1 3.95 0.02 . 1 . . . . . . . . 4941 1 878 . 1 1 89 89 GLU CB C 13 29.60 0.50 . 1 . . . . . . . . 4941 1 879 . 1 1 89 89 GLU HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4941 1 880 . 1 1 89 89 GLU HB3 H 1 1.99 0.02 . 1 . . . . . . . . 4941 1 881 . 1 1 89 89 GLU CG C 13 36.61 0.50 . 1 . . . . . . . . 4941 1 882 . 1 1 89 89 GLU HG2 H 1 2.35 0.02 . 2 . . . . . . . . 4941 1 883 . 1 1 89 89 GLU HG3 H 1 2.18 0.02 . 2 . . . . . . . . 4941 1 884 . 1 1 90 90 ALA N N 15 121.72 0.50 . 1 . . . . . . . . 4941 1 885 . 1 1 90 90 ALA H H 1 7.95 0.02 . 1 . . . . . . . . 4941 1 886 . 1 1 90 90 ALA CA C 13 55.13 0.50 . 1 . . . . . . . . 4941 1 887 . 1 1 90 90 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 4941 1 888 . 1 1 90 90 ALA CB C 13 18.30 0.50 . 1 . . . . . . . . 4941 1 889 . 1 1 90 90 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 4941 1 890 . 1 1 90 90 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 4941 1 891 . 1 1 90 90 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 4941 1 892 . 1 1 91 91 LEU N N 15 118.49 0.50 . 1 . . . . . . . . 4941 1 893 . 1 1 91 91 LEU H H 1 7.80 0.02 . 1 . . . . . . . . 4941 1 894 . 1 1 91 91 LEU CA C 13 58.30 0.50 . 1 . . . . . . . . 4941 1 895 . 1 1 91 91 LEU HA H 1 3.81 0.02 . 1 . . . . . . . . 4941 1 896 . 1 1 91 91 LEU CB C 13 43.20 0.50 . 1 . . . . . . . . 4941 1 897 . 1 1 91 91 LEU HB2 H 1 1.78 0.02 . 1 . . . . . . . . 4941 1 898 . 1 1 91 91 LEU HB3 H 1 1.26 0.02 . 1 . . . . . . . . 4941 1 899 . 1 1 91 91 LEU CG C 13 27.41 0.50 . 1 . . . . . . . . 4941 1 900 . 1 1 91 91 LEU HG H 1 1.81 0.02 . 1 . . . . . . . . 4941 1 901 . 1 1 91 91 LEU CD1 C 13 27.00 0.50 . 2 . . . . . . . . 4941 1 902 . 1 1 91 91 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 4941 1 903 . 1 1 91 91 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 4941 1 904 . 1 1 91 91 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 4941 1 905 . 1 1 91 91 LEU CD2 C 13 24.61 0.50 . 2 . . . . . . . . 4941 1 906 . 1 1 91 91 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 4941 1 907 . 1 1 91 91 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 4941 1 908 . 1 1 91 91 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 4941 1 909 . 1 1 92 92 THR N N 15 114.55 0.50 . 1 . . . . . . . . 4941 1 910 . 1 1 92 92 THR H H 1 8.13 0.02 . 1 . . . . . . . . 4941 1 911 . 1 1 92 92 THR CA C 13 67.37 0.50 . 1 . . . . . . . . 4941 1 912 . 1 1 92 92 THR HA H 1 3.78 0.02 . 1 . . . . . . . . 4941 1 913 . 1 1 92 92 THR CB C 13 69.08 0.50 . 1 . . . . . . . . 4941 1 914 . 1 1 92 92 THR HB H 1 4.14 0.02 . 1 . . . . . . . . 4941 1 915 . 1 1 92 92 THR CG2 C 13 20.05 0.50 . 1 . . . . . . . . 4941 1 916 . 1 1 92 92 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 4941 1 917 . 1 1 92 92 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 4941 1 918 . 1 1 92 92 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 4941 1 919 . 1 1 93 93 LYS N N 15 119.64 0.50 . 1 . . . . . . . . 4941 1 920 . 1 1 93 93 LYS H H 1 8.25 0.02 . 1 . . . . . . . . 4941 1 921 . 1 1 93 93 LYS CA C 13 60.40 0.50 . 1 . . . . . . . . 4941 1 922 . 1 1 93 93 LYS HA H 1 3.99 0.02 . 1 . . . . . . . . 4941 1 923 . 1 1 93 93 LYS CB C 13 32.28 0.50 . 1 . . . . . . . . 4941 1 924 . 1 1 93 93 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 4941 1 925 . 1 1 93 93 LYS CG C 13 25.61 0.50 . 1 . . . . . . . . 4941 1 926 . 1 1 93 93 LYS HG2 H 1 1.52 0.02 . 2 . . . . . . . . 4941 1 927 . 1 1 93 93 LYS HG3 H 1 1.39 0.02 . 2 . . . . . . . . 4941 1 928 . 1 1 93 93 LYS CD C 13 28.97 0.50 . 1 . . . . . . . . 4941 1 929 . 1 1 93 93 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 4941 1 930 . 1 1 93 93 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 4941 1 931 . 1 1 93 93 LYS CE C 13 42.32 0.50 . 1 . . . . . . . . 4941 1 932 . 1 1 93 93 LYS HE2 H 1 2.91 0.02 . 1 . . . . . . . . 4941 1 933 . 1 1 93 93 LYS HE3 H 1 2.91 0.02 . 1 . . . . . . . . 4941 1 934 . 1 1 94 94 HIS N N 15 116.00 0.50 . 1 . . . . . . . . 4941 1 935 . 1 1 94 94 HIS H H 1 7.47 0.02 . 1 . . . . . . . . 4941 1 936 . 1 1 94 94 HIS CA C 13 59.00 0.50 . 1 . . . . . . . . 4941 1 937 . 1 1 94 94 HIS HA H 1 4.12 0.02 . 1 . . . . . . . . 4941 1 938 . 1 1 94 94 HIS CB C 13 29.37 0.50 . 1 . . . . . . . . 4941 1 939 . 1 1 94 94 HIS HB3 H 1 2.74 0.02 . 1 . . . . . . . . 4941 1 940 . 1 1 94 94 HIS HB2 H 1 2.95 0.02 . 1 . . . . . . . . 4941 1 941 . 1 1 95 95 PHE N N 15 113.16 0.50 . 1 . . . . . . . . 4941 1 942 . 1 1 95 95 PHE H H 1 7.34 0.02 . 1 . . . . . . . . 4941 1 943 . 1 1 95 95 PHE CA C 13 59.00 0.50 . 1 . . . . . . . . 4941 1 944 . 1 1 95 95 PHE HA H 1 4.41 0.02 . 1 . . . . . . . . 4941 1 945 . 1 1 95 95 PHE CB C 13 39.60 0.50 . 1 . . . . . . . . 4941 1 946 . 1 1 95 95 PHE HB2 H 1 3.23 0.02 . 1 . . . . . . . . 4941 1 947 . 1 1 95 95 PHE HB3 H 1 2.54 0.02 . 1 . . . . . . . . 4941 1 948 . 1 1 95 95 PHE HD1 H 1 7.28 0.02 . 1 . . . . . . . . 4941 1 949 . 1 1 95 95 PHE CD1 C 13 131.87 0.50 . 1 . . . . . . . . 4941 1 950 . 1 1 95 95 PHE HD2 H 1 7.28 0.02 . 1 . . . . . . . . 4941 1 951 . 1 1 95 95 PHE CD2 C 13 131.87 0.50 . 1 . . . . . . . . 4941 1 952 . 1 1 95 95 PHE HE1 H 1 6.95 0.02 . 1 . . . . . . . . 4941 1 953 . 1 1 95 95 PHE HE2 H 1 6.95 0.02 . 1 . . . . . . . . 4941 1 954 . 1 1 95 95 PHE HZ H 1 6.12 0.02 . 1 . . . . . . . . 4941 1 955 . 1 1 96 96 GLN N N 15 119.90 0.50 . 1 . . . . . . . . 4941 1 956 . 1 1 96 96 GLN H H 1 7.48 0.02 . 1 . . . . . . . . 4941 1 957 . 1 1 96 96 GLN CA C 13 56.60 0.50 . 1 . . . . . . . . 4941 1 958 . 1 1 96 96 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 4941 1 959 . 1 1 96 96 GLN CB C 13 29.90 0.50 . 1 . . . . . . . . 4941 1 960 . 1 1 96 96 GLN HB2 H 1 2.06 0.02 . 1 . . . . . . . . 4941 1 961 . 1 1 96 96 GLN HB3 H 1 2.06 0.02 . 1 . . . . . . . . 4941 1 962 . 1 1 96 96 GLN CG C 13 33.98 0.50 . 1 . . . . . . . . 4941 1 963 . 1 1 96 96 GLN HG2 H 1 2.37 0.02 . 1 . . . . . . . . 4941 1 964 . 1 1 96 96 GLN HG3 H 1 2.37 0.02 . 1 . . . . . . . . 4941 1 965 . 1 1 96 96 GLN NE2 N 15 112.11 0.50 . 1 . . . . . . . . 4941 1 966 . 1 1 96 96 GLN HE21 H 1 7.52 0.02 . 2 . . . . . . . . 4941 1 967 . 1 1 96 96 GLN HE22 H 1 6.71 0.02 . 2 . . . . . . . . 4941 1 968 . 1 1 97 97 ASP N N 15 127.54 0.50 . 1 . . . . . . . . 4941 1 969 . 1 1 97 97 ASP H H 1 7.95 0.02 . 1 . . . . . . . . 4941 1 970 . 1 1 97 97 ASP CA C 13 56.30 0.50 . 1 . . . . . . . . 4941 1 971 . 1 1 97 97 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 4941 1 972 . 1 1 97 97 ASP CB C 13 42.10 0.50 . 1 . . . . . . . . 4941 1 973 . 1 1 97 97 ASP HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4941 1 974 . 1 1 97 97 ASP HB2 H 1 2.55 0.02 . 2 . . . . . . . . 4941 1 stop_ save_