data_17832 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17832 _Entry.Title ; 1H, 15N and 13C resonance assignments for the N-terminal dimeric region of budding yeast histone chaperone Rtt106 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-04 _Entry.Accession_date 2011-08-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Q. Hu . . . 17832 2 G. Cui . . . 17832 3 G. Mer . . . 17832 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17832 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 17832 'CHROMOSOMAL PROTEIN' . 17832 'HISTONE CHAPERONE' . 17832 NUCLEUS . 17832 PHOSPHOPROTEIN . 17832 TRANSCRIPTION . 17832 'TRANSCRIPTION REGULATION' . 17832 TRANSPOSITION . 17832 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17832 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 286 17832 '15N chemical shifts' 66 17832 '1H chemical shifts' 451 17832 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-02-28 2011-08-04 update BMRB 'update entry citation' 17832 1 . . 2012-01-25 2011-08-04 original author 'original release' 17832 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LH0 'BMRB Entry Tracking System' 17832 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17832 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22307274 _Citation.Full_citation . _Citation.Title 'Structural basis for recognition of H3K56-acetylated histone H3-H4 by the chaperone Rtt106' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 483 _Citation.Journal_issue 7387 _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 104 _Citation.Page_last 107 _Citation.Year 2012 _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 Dan Su . . . 17832 1 2 Qi Hu . . . 17832 1 3 Qing Li . . . 17832 1 4 James Thompson . R. . 17832 1 5 Gaofeng Cui . . . 17832 1 6 Ahmed Fazly . . . 17832 1 7 Brian Davies . A. . 17832 1 8 Maria Botuyan . V. . 17832 1 9 Zhiguo Zhang . . . 17832 1 10 Georges Mer . . . 17832 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17832 _Assembly.ID 1 _Assembly.Name HISTONE_CHAPERONE_RTT106 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HISTONE CHAPERONE RTT106_1' 1 $HISTONE_CHAPERONE_RTT106 A . yes native no no . . . 17832 1 2 'HISTONE CHAPERONE RTT106_2' 1 $HISTONE_CHAPERONE_RTT106 B . yes native no no . . . 17832 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HISTONE_CHAPERONE_RTT106 _Entity.Sf_category entity _Entity.Sf_framecode HISTONE_CHAPERONE_RTT106 _Entity.Entry_ID 17832 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HISTONE_CHAPERONE_RTT106 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMMSKLFLDELPESLSRKI GTVVRVLPSSLEIFEELYKY ALNENSNDRSEHHKKPRIDD SSDLLKTDEI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'UNP RESIDUES 1-67' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8129.245 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2LH0 . "Nmr Structure Of The Histone-Interacting N-Terminal Homodimeric Region Of Rtt106" . . . . . 100.00 70 100.00 100.00 5.85e-41 . . . . 17832 1 2 no DBJ GAA25899 . "K7_Rtt106p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 95.71 455 100.00 100.00 2.42e-35 . . . . 17832 1 3 no GB AJT01944 . "Rtt106p [Saccharomyces cerevisiae YJM193]" . . . . . 95.71 455 97.01 97.01 3.65e-33 . . . . 17832 1 4 no GB AJT02319 . "Rtt106p [Saccharomyces cerevisiae YJM195]" . . . . . 95.71 455 100.00 100.00 2.32e-35 . . . . 17832 1 5 no GB AJT04929 . "Rtt106p [Saccharomyces cerevisiae YJM428]" . . . . . 95.71 455 100.00 100.00 2.18e-35 . . . . 17832 1 6 no GB AJT05307 . "Rtt106p [Saccharomyces cerevisiae YJM450]" . . . . . 95.71 455 100.00 100.00 2.18e-35 . . . . 17832 1 7 no GB AJT07909 . "Rtt106p [Saccharomyces cerevisiae YJM555]" . . . . . 95.71 455 100.00 100.00 2.18e-35 . . . . 17832 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'REGULATOR OF TY1 TRANSPOSITION PROTEIN 106' . 17832 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 -2 GLY . 17832 1 2 -1 HIS . 17832 1 3 0 MET . 17832 1 4 1 MET . 17832 1 5 2 SER . 17832 1 6 3 LYS . 17832 1 7 4 LEU . 17832 1 8 5 PHE . 17832 1 9 6 LEU . 17832 1 10 7 ASP . 17832 1 11 8 GLU . 17832 1 12 9 LEU . 17832 1 13 10 PRO . 17832 1 14 11 GLU . 17832 1 15 12 SER . 17832 1 16 13 LEU . 17832 1 17 14 SER . 17832 1 18 15 ARG . 17832 1 19 16 LYS . 17832 1 20 17 ILE . 17832 1 21 18 GLY . 17832 1 22 19 THR . 17832 1 23 20 VAL . 17832 1 24 21 VAL . 17832 1 25 22 ARG . 17832 1 26 23 VAL . 17832 1 27 24 LEU . 17832 1 28 25 PRO . 17832 1 29 26 SER . 17832 1 30 27 SER . 17832 1 31 28 LEU . 17832 1 32 29 GLU . 17832 1 33 30 ILE . 17832 1 34 31 PHE . 17832 1 35 32 GLU . 17832 1 36 33 GLU . 17832 1 37 34 LEU . 17832 1 38 35 TYR . 17832 1 39 36 LYS . 17832 1 40 37 TYR . 17832 1 41 38 ALA . 17832 1 42 39 LEU . 17832 1 43 40 ASN . 17832 1 44 41 GLU . 17832 1 45 42 ASN . 17832 1 46 43 SER . 17832 1 47 44 ASN . 17832 1 48 45 ASP . 17832 1 49 46 ARG . 17832 1 50 47 SER . 17832 1 51 48 GLU . 17832 1 52 49 HIS . 17832 1 53 50 HIS . 17832 1 54 51 LYS . 17832 1 55 52 LYS . 17832 1 56 53 PRO . 17832 1 57 54 ARG . 17832 1 58 55 ILE . 17832 1 59 56 ASP . 17832 1 60 57 ASP . 17832 1 61 58 SER . 17832 1 62 59 SER . 17832 1 63 60 ASP . 17832 1 64 61 LEU . 17832 1 65 62 LEU . 17832 1 66 63 LYS . 17832 1 67 64 THR . 17832 1 68 65 ASP . 17832 1 69 66 GLU . 17832 1 70 67 ILE . 17832 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 . GLY 1 1 17832 1 . HIS 2 2 17832 1 . MET 3 3 17832 1 . MET 4 4 17832 1 . SER 5 5 17832 1 . LYS 6 6 17832 1 . LEU 7 7 17832 1 . PHE 8 8 17832 1 . LEU 9 9 17832 1 . ASP 10 10 17832 1 . GLU 11 11 17832 1 . LEU 12 12 17832 1 . PRO 13 13 17832 1 . GLU 14 14 17832 1 . SER 15 15 17832 1 . LEU 16 16 17832 1 . SER 17 17 17832 1 . ARG 18 18 17832 1 . LYS 19 19 17832 1 . ILE 20 20 17832 1 . GLY 21 21 17832 1 . THR 22 22 17832 1 . VAL 23 23 17832 1 . VAL 24 24 17832 1 . ARG 25 25 17832 1 . VAL 26 26 17832 1 . LEU 27 27 17832 1 . PRO 28 28 17832 1 . SER 29 29 17832 1 . SER 30 30 17832 1 . LEU 31 31 17832 1 . GLU 32 32 17832 1 . ILE 33 33 17832 1 . PHE 34 34 17832 1 . GLU 35 35 17832 1 . GLU 36 36 17832 1 . LEU 37 37 17832 1 . TYR 38 38 17832 1 . LYS 39 39 17832 1 . TYR 40 40 17832 1 . ALA 41 41 17832 1 . LEU 42 42 17832 1 . ASN 43 43 17832 1 . GLU 44 44 17832 1 . ASN 45 45 17832 1 . SER 46 46 17832 1 . ASN 47 47 17832 1 . ASP 48 48 17832 1 . ARG 49 49 17832 1 . SER 50 50 17832 1 . GLU 51 51 17832 1 . HIS 52 52 17832 1 . HIS 53 53 17832 1 . LYS 54 54 17832 1 . LYS 55 55 17832 1 . PRO 56 56 17832 1 . ARG 57 57 17832 1 . ILE 58 58 17832 1 . ASP 59 59 17832 1 . ASP 60 60 17832 1 . SER 61 61 17832 1 . SER 62 62 17832 1 . ASP 63 63 17832 1 . LEU 64 64 17832 1 . LEU 65 65 17832 1 . LYS 66 66 17832 1 . THR 67 67 17832 1 . ASP 68 68 17832 1 . GLU 69 69 17832 1 . ILE 70 70 17832 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 17832 _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 $HISTONE_CHAPERONE_RTT106 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . 'RTT106, YNL206C, N1346' . . . . 17832 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 17832 _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 $HISTONE_CHAPERONE_RTT106 . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI 'ROSETTA PLYSS' . . . . . . . . . . . . . . . PTEV . . . . . . 17832 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17832 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HISTONE CHAPERONE RTT106' '[U-100% 13C; U-100% 15N]' . . 1 $HISTONE_CHAPERONE_RTT106 . . 0.8 . . mM . . . . 17832 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17832 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17832 1 4 NaCl 'natural abundance' . . . . . . 30 . . mM . . . . 17832 1 5 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17832 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17832 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HISTONE CHAPERONE RTT106' '[U-100% 15N]' . . 1 $HISTONE_CHAPERONE_RTT106 . . 1 . . mM . . . . 17832 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17832 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17832 2 4 NaCl 'natural abundance' . . . . . . 30 . . mM . . . . 17832 2 5 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17832 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17832 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM MIXTURE OF 15N/13C- LABELED AND UNLABELED PROTEIN' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HISTONE CHAPERONE RTT106' '[U-100% 13C; U-100% 15N]' . . 1 $HISTONE_CHAPERONE_RTT106 . . 0.6 . . mM . . . . 17832 3 2 'HISTONE CHAPERONE RTT106' 'natural abundance' . . 1 $HISTONE_CHAPERONE_RTT106 . . 0.6 . . mM . . . . 17832 3 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17832 3 4 NaCl 'natural abundance' . . . . . . 30 . . mM . . . . 17832 3 5 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17832 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17832 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 17832 1 pH 6.95 . pH 17832 1 pressure 1 . atm 17832 1 temperature 298 . K 17832 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17832 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17832 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17832 1 'structure solution' 17832 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17832 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17832 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 BRUKER AVANCE . 700 . 1 $citations 17832 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 17832 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 9 '3D 1H- 15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 11 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 13 '2D 13C- FILTERED-EDITED NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17832 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17832 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17832 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17832 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17832 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17832 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17832 1 10 '3D 1H-13C NOESY' . . . 17832 1 12 '2D 1H-13C HSQC' . . . 17832 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 3 3 MET C C 13 173.346 0 . 1 . . . A 0 MET C . 17832 1 2 . 1 1 3 3 MET CA C 13 52.93 0 . 1 . . . A 0 MET CA . 17832 1 3 . 1 1 3 3 MET CB C 13 29.966 0 . 1 . . . A 0 MET CB . 17832 1 4 . 1 1 4 4 MET H H 1 8.553 0.005 . 1 . . . A 1 MET H . 17832 1 5 . 1 1 4 4 MET HA H 1 4.378 0 . 1 . . . A 1 MET HA . 17832 1 6 . 1 1 4 4 MET C C 13 173.585 0 . 1 . . . A 1 MET C . 17832 1 7 . 1 1 4 4 MET CA C 13 52.943 0.012 . 1 . . . A 1 MET CA . 17832 1 8 . 1 1 4 4 MET CB C 13 30.112 0.019 . 1 . . . A 1 MET CB . 17832 1 9 . 1 1 4 4 MET N N 15 121.822 0.061 . 1 . . . A 1 MET N . 17832 1 10 . 1 1 5 5 SER H H 1 8.337 0.002 . 1 . . . A 2 SER H . 17832 1 11 . 1 1 5 5 SER HA H 1 4.402 0.004 . 1 . . . A 2 SER HA . 17832 1 12 . 1 1 5 5 SER HB2 H 1 3.814 0.004 . 2 . . . A 2 SER HB2 . 17832 1 13 . 1 1 5 5 SER HB3 H 1 3.814 0.004 . 2 . . . A 2 SER HB3 . 17832 1 14 . 1 1 5 5 SER C C 13 171.427 0 . 1 . . . A 2 SER C . 17832 1 15 . 1 1 5 5 SER CA C 13 55.92 0.014 . 1 . . . A 2 SER CA . 17832 1 16 . 1 1 5 5 SER CB C 13 61.033 0.045 . 1 . . . A 2 SER CB . 17832 1 17 . 1 1 5 5 SER N N 15 117.291 0.126 . 1 . . . A 2 SER N . 17832 1 18 . 1 1 6 6 LYS H H 1 8.216 0.005 . 1 . . . A 3 LYS H . 17832 1 19 . 1 1 6 6 LYS HA H 1 4.282 0.006 . 1 . . . A 3 LYS HA . 17832 1 20 . 1 1 6 6 LYS HB2 H 1 1.799 0.007 . 2 . . . A 3 LYS HB2 . 17832 1 21 . 1 1 6 6 LYS HB3 H 1 1.679 0.003 . 2 . . . A 3 LYS HB3 . 17832 1 22 . 1 1 6 6 LYS HG2 H 1 1.356 0.004 . 2 . . . A 3 LYS HG2 . 17832 1 23 . 1 1 6 6 LYS HG3 H 1 1.356 0.004 . 2 . . . A 3 LYS HG3 . 17832 1 24 . 1 1 6 6 LYS HE2 H 1 2.899 0.004 . 2 . . . A 3 LYS HE2 . 17832 1 25 . 1 1 6 6 LYS HE3 H 1 2.899 0.004 . 2 . . . A 3 LYS HE3 . 17832 1 26 . 1 1 6 6 LYS C C 13 173.822 0 . 1 . . . A 3 LYS C . 17832 1 27 . 1 1 6 6 LYS CA C 13 53.556 0.077 . 1 . . . A 3 LYS CA . 17832 1 28 . 1 1 6 6 LYS CB C 13 30.569 0.079 . 1 . . . A 3 LYS CB . 17832 1 29 . 1 1 6 6 LYS CG C 13 22.237 0.021 . 1 . . . A 3 LYS CG . 17832 1 30 . 1 1 6 6 LYS CD C 13 26.385 0 . 1 . . . A 3 LYS CD . 17832 1 31 . 1 1 6 6 LYS N N 15 121.932 0.09 . 1 . . . A 3 LYS N . 17832 1 32 . 1 1 7 7 LEU H H 1 8.301 0.008 . 1 . . . A 4 LEU H . 17832 1 33 . 1 1 7 7 LEU HA H 1 4.31 0.004 . 1 . . . A 4 LEU HA . 17832 1 34 . 1 1 7 7 LEU HB2 H 1 1.577 0.005 . 2 . . . A 4 LEU HB2 . 17832 1 35 . 1 1 7 7 LEU HB3 H 1 1.577 0.005 . 2 . . . A 4 LEU HB3 . 17832 1 36 . 1 1 7 7 LEU HG H 1 1.454 0.005 . 1 . . . A 4 LEU HG . 17832 1 37 . 1 1 7 7 LEU HD11 H 1 0.874 0.003 . 2 . . . A 4 LEU HD11 . 17832 1 38 . 1 1 7 7 LEU HD12 H 1 0.874 0.003 . 2 . . . A 4 LEU HD12 . 17832 1 39 . 1 1 7 7 LEU HD13 H 1 0.874 0.003 . 2 . . . A 4 LEU HD13 . 17832 1 40 . 1 1 7 7 LEU HD21 H 1 0.82 0.002 . 2 . . . A 4 LEU HD21 . 17832 1 41 . 1 1 7 7 LEU HD22 H 1 0.82 0.002 . 2 . . . A 4 LEU HD22 . 17832 1 42 . 1 1 7 7 LEU HD23 H 1 0.82 0.002 . 2 . . . A 4 LEU HD23 . 17832 1 43 . 1 1 7 7 LEU C C 13 176.226 0 . 1 . . . A 4 LEU C . 17832 1 44 . 1 1 7 7 LEU CA C 13 52.753 0.068 . 1 . . . A 4 LEU CA . 17832 1 45 . 1 1 7 7 LEU CB C 13 39.626 0.065 . 1 . . . A 4 LEU CB . 17832 1 46 . 1 1 7 7 LEU CG C 13 24.751 0.06 . 1 . . . A 4 LEU CG . 17832 1 47 . 1 1 7 7 LEU CD1 C 13 21.866 0.039 . 2 . . . A 4 LEU CD1 . 17832 1 48 . 1 1 7 7 LEU CD2 C 13 21.392 0.038 . 2 . . . A 4 LEU CD2 . 17832 1 49 . 1 1 7 7 LEU N N 15 123.131 0.059 . 1 . . . A 4 LEU N . 17832 1 50 . 1 1 8 8 PHE H H 1 8.764 0.005 . 1 . . . A 5 PHE H . 17832 1 51 . 1 1 8 8 PHE HA H 1 4.313 0.004 . 1 . . . A 5 PHE HA . 17832 1 52 . 1 1 8 8 PHE HB2 H 1 3.088 0.005 . 2 . . . A 5 PHE HB2 . 17832 1 53 . 1 1 8 8 PHE HB3 H 1 2.954 0.006 . 2 . . . A 5 PHE HB3 . 17832 1 54 . 1 1 8 8 PHE HD1 H 1 6.926 0.012 . 3 . . . A 5 PHE HD1 . 17832 1 55 . 1 1 8 8 PHE HD2 H 1 6.926 0.012 . 3 . . . A 5 PHE HD2 . 17832 1 56 . 1 1 8 8 PHE HE1 H 1 6.617 0.009 . 3 . . . A 5 PHE HE1 . 17832 1 57 . 1 1 8 8 PHE HE2 H 1 6.617 0.009 . 3 . . . A 5 PHE HE2 . 17832 1 58 . 1 1 8 8 PHE CA C 13 56.963 0.045 . 1 . . . A 5 PHE CA . 17832 1 59 . 1 1 8 8 PHE CB C 13 35.205 0.036 . 1 . . . A 5 PHE CB . 17832 1 60 . 1 1 8 8 PHE N N 15 122.547 0.158 . 1 . . . A 5 PHE N . 17832 1 61 . 1 1 9 9 LEU HA H 1 3.079 0.007 . 1 . . . A 6 LEU HA . 17832 1 62 . 1 1 9 9 LEU HB2 H 1 1.255 0.003 . 2 . . . A 6 LEU HB2 . 17832 1 63 . 1 1 9 9 LEU HB3 H 1 1.126 0.002 . 2 . . . A 6 LEU HB3 . 17832 1 64 . 1 1 9 9 LEU HG H 1 0.8 0.01 . 1 . . . A 6 LEU HG . 17832 1 65 . 1 1 9 9 LEU HD11 H 1 0.579 0.004 . 2 . . . A 6 LEU HD11 . 17832 1 66 . 1 1 9 9 LEU HD12 H 1 0.579 0.004 . 2 . . . A 6 LEU HD12 . 17832 1 67 . 1 1 9 9 LEU HD13 H 1 0.579 0.004 . 2 . . . A 6 LEU HD13 . 17832 1 68 . 1 1 9 9 LEU HD21 H 1 0.173 0.003 . 2 . . . A 6 LEU HD21 . 17832 1 69 . 1 1 9 9 LEU HD22 H 1 0.173 0.003 . 2 . . . A 6 LEU HD22 . 17832 1 70 . 1 1 9 9 LEU HD23 H 1 0.173 0.003 . 2 . . . A 6 LEU HD23 . 17832 1 71 . 1 1 9 9 LEU C C 13 175.83 0 . 1 . . . A 6 LEU C . 17832 1 72 . 1 1 9 9 LEU CA C 13 54.075 0.044 . 1 . . . A 6 LEU CA . 17832 1 73 . 1 1 9 9 LEU CB C 13 38.429 0.035 . 1 . . . A 6 LEU CB . 17832 1 74 . 1 1 9 9 LEU CG C 13 23.852 0.084 . 1 . . . A 6 LEU CG . 17832 1 75 . 1 1 9 9 LEU CD1 C 13 22.501 0.041 . 2 . . . A 6 LEU CD1 . 17832 1 76 . 1 1 9 9 LEU CD2 C 13 20.774 0.019 . 2 . . . A 6 LEU CD2 . 17832 1 77 . 1 1 10 10 ASP H H 1 7.488 0.007 . 1 . . . A 7 ASP H . 17832 1 78 . 1 1 10 10 ASP HA H 1 4.294 0.005 . 1 . . . A 7 ASP HA . 17832 1 79 . 1 1 10 10 ASP HB2 H 1 2.667 0.01 . 2 . . . A 7 ASP HB2 . 17832 1 80 . 1 1 10 10 ASP HB3 H 1 2.667 0.01 . 2 . . . A 7 ASP HB3 . 17832 1 81 . 1 1 10 10 ASP C C 13 174.24 0 . 1 . . . A 7 ASP C . 17832 1 82 . 1 1 10 10 ASP CA C 13 53.201 0.039 . 1 . . . A 7 ASP CA . 17832 1 83 . 1 1 10 10 ASP CB C 13 37.826 0.011 . 1 . . . A 7 ASP CB . 17832 1 84 . 1 1 10 10 ASP N N 15 116.164 0.07 . 1 . . . A 7 ASP N . 17832 1 85 . 1 1 11 11 GLU H H 1 7.496 0.006 . 1 . . . A 8 GLU H . 17832 1 86 . 1 1 11 11 GLU HA H 1 4.296 0.005 . 1 . . . A 8 GLU HA . 17832 1 87 . 1 1 11 11 GLU HB2 H 1 2.267 0.005 . 2 . . . A 8 GLU HB2 . 17832 1 88 . 1 1 11 11 GLU HB3 H 1 2.061 0.004 . 2 . . . A 8 GLU HB3 . 17832 1 89 . 1 1 11 11 GLU HG2 H 1 2.303 0.01 . 2 . . . A 8 GLU HG2 . 17832 1 90 . 1 1 11 11 GLU HG3 H 1 2.251 0.002 . 2 . . . A 8 GLU HG3 . 17832 1 91 . 1 1 11 11 GLU C C 13 173.322 0.003 . 1 . . . A 8 GLU C . 17832 1 92 . 1 1 11 11 GLU CA C 13 53.231 0.024 . 1 . . . A 8 GLU CA . 17832 1 93 . 1 1 11 11 GLU CB C 13 27.333 0.04 . 1 . . . A 8 GLU CB . 17832 1 94 . 1 1 11 11 GLU CG C 13 33.601 0.04 . 1 . . . A 8 GLU CG . 17832 1 95 . 1 1 11 11 GLU N N 15 116.711 0.099 . 1 . . . A 8 GLU N . 17832 1 96 . 1 1 12 12 LEU H H 1 6.803 0.008 . 1 . . . A 9 LEU H . 17832 1 97 . 1 1 12 12 LEU HA H 1 4.313 0.006 . 1 . . . A 9 LEU HA . 17832 1 98 . 1 1 12 12 LEU HB2 H 1 1.393 0.011 . 2 . . . A 9 LEU HB2 . 17832 1 99 . 1 1 12 12 LEU HB3 H 1 0.819 0.014 . 2 . . . A 9 LEU HB3 . 17832 1 100 . 1 1 12 12 LEU HG H 1 1.546 0.005 . 1 . . . A 9 LEU HG . 17832 1 101 . 1 1 12 12 LEU HD11 H 1 0.279 0.005 . 2 . . . A 9 LEU HD11 . 17832 1 102 . 1 1 12 12 LEU HD12 H 1 0.279 0.005 . 2 . . . A 9 LEU HD12 . 17832 1 103 . 1 1 12 12 LEU HD13 H 1 0.279 0.005 . 2 . . . A 9 LEU HD13 . 17832 1 104 . 1 1 12 12 LEU HD21 H 1 0.384 0.009 . 2 . . . A 9 LEU HD21 . 17832 1 105 . 1 1 12 12 LEU HD22 H 1 0.384 0.009 . 2 . . . A 9 LEU HD22 . 17832 1 106 . 1 1 12 12 LEU HD23 H 1 0.384 0.009 . 2 . . . A 9 LEU HD23 . 17832 1 107 . 1 1 12 12 LEU C C 13 171.541 0 . 1 . . . A 9 LEU C . 17832 1 108 . 1 1 12 12 LEU CA C 13 49.264 0.039 . 1 . . . A 9 LEU CA . 17832 1 109 . 1 1 12 12 LEU CB C 13 38.581 0.05 . 1 . . . A 9 LEU CB . 17832 1 110 . 1 1 12 12 LEU CG C 13 22.864 0.053 . 1 . . . A 9 LEU CG . 17832 1 111 . 1 1 12 12 LEU CD1 C 13 24.489 0.037 . 2 . . . A 9 LEU CD1 . 17832 1 112 . 1 1 12 12 LEU CD2 C 13 19.612 0.03 . 2 . . . A 9 LEU CD2 . 17832 1 113 . 1 1 12 12 LEU N N 15 117.751 0.077 . 1 . . . A 9 LEU N . 17832 1 114 . 1 1 13 13 PRO HA H 1 4.311 0.005 . 1 . . . A 10 PRO HA . 17832 1 115 . 1 1 13 13 PRO HB2 H 1 2.326 0.005 . 2 . . . A 10 PRO HB2 . 17832 1 116 . 1 1 13 13 PRO HB3 H 1 1.634 0.006 . 2 . . . A 10 PRO HB3 . 17832 1 117 . 1 1 13 13 PRO HG2 H 1 1.86 0.005 . 2 . . . A 10 PRO HG2 . 17832 1 118 . 1 1 13 13 PRO HG3 H 1 1.752 0.004 . 2 . . . A 10 PRO HG3 . 17832 1 119 . 1 1 13 13 PRO HD2 H 1 3.238 0.007 . 2 . . . A 10 PRO HD2 . 17832 1 120 . 1 1 13 13 PRO HD3 H 1 2.655 0.007 . 2 . . . A 10 PRO HD3 . 17832 1 121 . 1 1 13 13 PRO C C 13 174.746 0 . 1 . . . A 10 PRO C . 17832 1 122 . 1 1 13 13 PRO CA C 13 60.083 0.015 . 1 . . . A 10 PRO CA . 17832 1 123 . 1 1 13 13 PRO CB C 13 29.131 0.033 . 1 . . . A 10 PRO CB . 17832 1 124 . 1 1 13 13 PRO CG C 13 25.489 0.055 . 1 . . . A 10 PRO CG . 17832 1 125 . 1 1 13 13 PRO CD C 13 47.083 0.035 . 1 . . . A 10 PRO CD . 17832 1 126 . 1 1 14 14 GLU H H 1 8.777 0.006 . 1 . . . A 11 GLU H . 17832 1 127 . 1 1 14 14 GLU HA H 1 3.854 0.005 . 1 . . . A 11 GLU HA . 17832 1 128 . 1 1 14 14 GLU HB2 H 1 1.992 0.003 . 2 . . . A 11 GLU HB2 . 17832 1 129 . 1 1 14 14 GLU HB3 H 1 1.87 0.003 . 2 . . . A 11 GLU HB3 . 17832 1 130 . 1 1 14 14 GLU HG2 H 1 2.223 0.003 . 2 . . . A 11 GLU HG2 . 17832 1 131 . 1 1 14 14 GLU HG3 H 1 2.101 0.002 . 2 . . . A 11 GLU HG3 . 17832 1 132 . 1 1 14 14 GLU C C 13 175.18 0 . 1 . . . A 11 GLU C . 17832 1 133 . 1 1 14 14 GLU CA C 13 57.035 0.045 . 1 . . . A 11 GLU CA . 17832 1 134 . 1 1 14 14 GLU CB C 13 26.761 0.057 . 1 . . . A 11 GLU CB . 17832 1 135 . 1 1 14 14 GLU CG C 13 33.476 0.039 . 1 . . . A 11 GLU CG . 17832 1 136 . 1 1 14 14 GLU N N 15 125.693 0.045 . 1 . . . A 11 GLU N . 17832 1 137 . 1 1 15 15 SER H H 1 8.563 0.004 . 1 . . . A 12 SER H . 17832 1 138 . 1 1 15 15 SER HA H 1 3.884 0.004 . 1 . . . A 12 SER HA . 17832 1 139 . 1 1 15 15 SER HB2 H 1 3.76 0.004 . 2 . . . A 12 SER HB2 . 17832 1 140 . 1 1 15 15 SER HB3 H 1 3.76 0.004 . 2 . . . A 12 SER HB3 . 17832 1 141 . 1 1 15 15 SER C C 13 173.687 0 . 1 . . . A 12 SER C . 17832 1 142 . 1 1 15 15 SER CA C 13 58.23 0.087 . 1 . . . A 12 SER CA . 17832 1 143 . 1 1 15 15 SER CB C 13 58.977 0.1 . 1 . . . A 12 SER CB . 17832 1 144 . 1 1 15 15 SER N N 15 111.734 0.07 . 1 . . . A 12 SER N . 17832 1 145 . 1 1 16 16 LEU H H 1 6.828 0.004 . 1 . . . A 13 LEU H . 17832 1 146 . 1 1 16 16 LEU HA H 1 4.081 0.006 . 1 . . . A 13 LEU HA . 17832 1 147 . 1 1 16 16 LEU HB2 H 1 1.422 0 . 2 . . . A 13 LEU HB2 . 17832 1 148 . 1 1 16 16 LEU HB3 H 1 1.386 0.005 . 2 . . . A 13 LEU HB3 . 17832 1 149 . 1 1 16 16 LEU HG H 1 1.306 0.006 . 1 . . . A 13 LEU HG . 17832 1 150 . 1 1 16 16 LEU HD11 H 1 0.609 0.005 . 2 . . . A 13 LEU HD11 . 17832 1 151 . 1 1 16 16 LEU HD12 H 1 0.609 0.005 . 2 . . . A 13 LEU HD12 . 17832 1 152 . 1 1 16 16 LEU HD13 H 1 0.609 0.005 . 2 . . . A 13 LEU HD13 . 17832 1 153 . 1 1 16 16 LEU HD21 H 1 0.751 0.007 . 2 . . . A 13 LEU HD21 . 17832 1 154 . 1 1 16 16 LEU HD22 H 1 0.751 0.007 . 2 . . . A 13 LEU HD22 . 17832 1 155 . 1 1 16 16 LEU HD23 H 1 0.751 0.007 . 2 . . . A 13 LEU HD23 . 17832 1 156 . 1 1 16 16 LEU C C 13 175.385 0 . 1 . . . A 13 LEU C . 17832 1 157 . 1 1 16 16 LEU CA C 13 54.057 0.063 . 1 . . . A 13 LEU CA . 17832 1 158 . 1 1 16 16 LEU CB C 13 39.498 0.038 . 1 . . . A 13 LEU CB . 17832 1 159 . 1 1 16 16 LEU CG C 13 24.327 0.055 . 1 . . . A 13 LEU CG . 17832 1 160 . 1 1 16 16 LEU CD1 C 13 23.206 0.028 . 2 . . . A 13 LEU CD1 . 17832 1 161 . 1 1 16 16 LEU CD2 C 13 19.594 0.021 . 2 . . . A 13 LEU CD2 . 17832 1 162 . 1 1 16 16 LEU N N 15 122.925 0.051 . 1 . . . A 13 LEU N . 17832 1 163 . 1 1 17 17 SER H H 1 8.266 0.007 . 1 . . . A 14 SER H . 17832 1 164 . 1 1 17 17 SER HA H 1 3.585 0.01 . 1 . . . A 14 SER HA . 17832 1 165 . 1 1 17 17 SER HB2 H 1 3.682 0.001 . 2 . . . A 14 SER HB2 . 17832 1 166 . 1 1 17 17 SER HB3 H 1 3.633 0.004 . 2 . . . A 14 SER HB3 . 17832 1 167 . 1 1 17 17 SER C C 13 175.435 0 . 1 . . . A 14 SER C . 17832 1 168 . 1 1 17 17 SER CA C 13 58.835 0.06 . 1 . . . A 14 SER CA . 17832 1 169 . 1 1 17 17 SER CB C 13 59.345 0.04 . 1 . . . A 14 SER CB . 17832 1 170 . 1 1 17 17 SER N N 15 114.839 0.037 . 1 . . . A 14 SER N . 17832 1 171 . 1 1 18 18 ARG H H 1 8.385 0.004 . 1 . . . A 15 ARG H . 17832 1 172 . 1 1 18 18 ARG HA H 1 3.897 0.006 . 1 . . . A 15 ARG HA . 17832 1 173 . 1 1 18 18 ARG HB2 H 1 1.834 0.005 . 2 . . . A 15 ARG HB2 . 17832 1 174 . 1 1 18 18 ARG HB3 H 1 1.707 0 . 2 . . . A 15 ARG HB3 . 17832 1 175 . 1 1 18 18 ARG HG2 H 1 1.637 0.011 . 2 . . . A 15 ARG HG2 . 17832 1 176 . 1 1 18 18 ARG HG3 H 1 1.465 0.005 . 2 . . . A 15 ARG HG3 . 17832 1 177 . 1 1 18 18 ARG HD2 H 1 3.052 0.013 . 2 . . . A 15 ARG HD2 . 17832 1 178 . 1 1 18 18 ARG HD3 H 1 3.052 0.013 . 2 . . . A 15 ARG HD3 . 17832 1 179 . 1 1 18 18 ARG C C 13 176.749 0 . 1 . . . A 15 ARG C . 17832 1 180 . 1 1 18 18 ARG CA C 13 56.827 0.063 . 1 . . . A 15 ARG CA . 17832 1 181 . 1 1 18 18 ARG CB C 13 27.154 0.066 . 1 . . . A 15 ARG CB . 17832 1 182 . 1 1 18 18 ARG CG C 13 24.862 0.037 . 1 . . . A 15 ARG CG . 17832 1 183 . 1 1 18 18 ARG CD C 13 40.591 0.031 . 1 . . . A 15 ARG CD . 17832 1 184 . 1 1 18 18 ARG N N 15 121.474 0.061 . 1 . . . A 15 ARG N . 17832 1 185 . 1 1 19 19 LYS H H 1 7.269 0.004 . 1 . . . A 16 LYS H . 17832 1 186 . 1 1 19 19 LYS HA H 1 3.947 0.006 . 1 . . . A 16 LYS HA . 17832 1 187 . 1 1 19 19 LYS HB2 H 1 1.829 0.01 . 2 . . . A 16 LYS HB2 . 17832 1 188 . 1 1 19 19 LYS HB3 H 1 1.658 0.003 . 2 . . . A 16 LYS HB3 . 17832 1 189 . 1 1 19 19 LYS HG2 H 1 1.717 0.003 . 2 . . . A 16 LYS HG2 . 17832 1 190 . 1 1 19 19 LYS HG3 H 1 1.349 0.001 . 2 . . . A 16 LYS HG3 . 17832 1 191 . 1 1 19 19 LYS HD2 H 1 1.583 0.005 . 2 . . . A 16 LYS HD2 . 17832 1 192 . 1 1 19 19 LYS HD3 H 1 1.492 0.009 . 2 . . . A 16 LYS HD3 . 17832 1 193 . 1 1 19 19 LYS HE2 H 1 2.792 0.005 . 2 . . . A 16 LYS HE2 . 17832 1 194 . 1 1 19 19 LYS HE3 H 1 2.792 0.005 . 2 . . . A 16 LYS HE3 . 17832 1 195 . 1 1 19 19 LYS C C 13 177.319 0 . 1 . . . A 16 LYS C . 17832 1 196 . 1 1 19 19 LYS CA C 13 57.412 0.016 . 1 . . . A 16 LYS CA . 17832 1 197 . 1 1 19 19 LYS CB C 13 30.432 0.047 . 1 . . . A 16 LYS CB . 17832 1 198 . 1 1 19 19 LYS CG C 13 23.029 0.029 . 1 . . . A 16 LYS CG . 17832 1 199 . 1 1 19 19 LYS CD C 13 27.356 0.047 . 1 . . . A 16 LYS CD . 17832 1 200 . 1 1 19 19 LYS CE C 13 38.986 0.024 . 1 . . . A 16 LYS CE . 17832 1 201 . 1 1 19 19 LYS N N 15 119.494 0.056 . 1 . . . A 16 LYS N . 17832 1 202 . 1 1 20 20 ILE H H 1 7.993 0.005 . 1 . . . A 17 ILE H . 17832 1 203 . 1 1 20 20 ILE HA H 1 2.813 0.005 . 1 . . . A 17 ILE HA . 17832 1 204 . 1 1 20 20 ILE HB H 1 1.249 0.005 . 1 . . . A 17 ILE HB . 17832 1 205 . 1 1 20 20 ILE HG12 H 1 1.186 0.006 . 1 . . . A 17 ILE HG12 . 17832 1 206 . 1 1 20 20 ILE HG13 H 1 -0.262 0.01 . 1 . . . A 17 ILE HG13 . 17832 1 207 . 1 1 20 20 ILE HG21 H 1 -0.18 0.004 . 1 . . . A 17 ILE HG21 . 17832 1 208 . 1 1 20 20 ILE HG22 H 1 -0.18 0.004 . 1 . . . A 17 ILE HG22 . 17832 1 209 . 1 1 20 20 ILE HG23 H 1 -0.18 0.004 . 1 . . . A 17 ILE HG23 . 17832 1 210 . 1 1 20 20 ILE HD11 H 1 0.304 0.004 . 1 . . . A 17 ILE HD11 . 17832 1 211 . 1 1 20 20 ILE HD12 H 1 0.304 0.004 . 1 . . . A 17 ILE HD12 . 17832 1 212 . 1 1 20 20 ILE HD13 H 1 0.304 0.004 . 1 . . . A 17 ILE HD13 . 17832 1 213 . 1 1 20 20 ILE C C 13 175.324 0 . 1 . . . A 17 ILE C . 17832 1 214 . 1 1 20 20 ILE CA C 13 63.012 0.021 . 1 . . . A 17 ILE CA . 17832 1 215 . 1 1 20 20 ILE CB C 13 34.71 0.022 . 1 . . . A 17 ILE CB . 17832 1 216 . 1 1 20 20 ILE CG1 C 13 26.06 0.04 . 1 . . . A 17 ILE CG1 . 17832 1 217 . 1 1 20 20 ILE CG2 C 13 13.364 0.012 . 1 . . . A 17 ILE CG2 . 17832 1 218 . 1 1 20 20 ILE CD1 C 13 12.569 0.01 . 1 . . . A 17 ILE CD1 . 17832 1 219 . 1 1 20 20 ILE N N 15 120.972 0.059 . 1 . . . A 17 ILE N . 17832 1 220 . 1 1 21 21 GLY H H 1 8.259 0.004 . 1 . . . A 18 GLY H . 17832 1 221 . 1 1 21 21 GLY HA2 H 1 3.79 0.005 . 2 . . . A 18 GLY HA2 . 17832 1 222 . 1 1 21 21 GLY HA3 H 1 3.568 0.009 . 2 . . . A 18 GLY HA3 . 17832 1 223 . 1 1 21 21 GLY C C 13 173.161 0 . 1 . . . A 18 GLY C . 17832 1 224 . 1 1 21 21 GLY CA C 13 44.45 0.05 . 1 . . . A 18 GLY CA . 17832 1 225 . 1 1 21 21 GLY N N 15 106.894 0.066 . 1 . . . A 18 GLY N . 17832 1 226 . 1 1 22 22 THR H H 1 7.502 0.004 . 1 . . . A 19 THR H . 17832 1 227 . 1 1 22 22 THR HA H 1 3.946 0.006 . 1 . . . A 19 THR HA . 17832 1 228 . 1 1 22 22 THR HB H 1 4.175 0.004 . 1 . . . A 19 THR HB . 17832 1 229 . 1 1 22 22 THR HG21 H 1 1.263 0.003 . 1 . . . A 19 THR HG21 . 17832 1 230 . 1 1 22 22 THR HG22 H 1 1.263 0.003 . 1 . . . A 19 THR HG22 . 17832 1 231 . 1 1 22 22 THR HG23 H 1 1.263 0.003 . 1 . . . A 19 THR HG23 . 17832 1 232 . 1 1 22 22 THR C C 13 173.081 0 . 1 . . . A 19 THR C . 17832 1 233 . 1 1 22 22 THR CA C 13 62.984 0.037 . 1 . . . A 19 THR CA . 17832 1 234 . 1 1 22 22 THR CB C 13 66.403 0.073 . 1 . . . A 19 THR CB . 17832 1 235 . 1 1 22 22 THR CG2 C 13 19.082 0.054 . 1 . . . A 19 THR CG2 . 17832 1 236 . 1 1 22 22 THR N N 15 113.696 0.059 . 1 . . . A 19 THR N . 17832 1 237 . 1 1 23 23 VAL H H 1 7.168 0.007 . 1 . . . A 20 VAL H . 17832 1 238 . 1 1 23 23 VAL HA H 1 3.649 0.005 . 1 . . . A 20 VAL HA . 17832 1 239 . 1 1 23 23 VAL HB H 1 2.271 0.006 . 1 . . . A 20 VAL HB . 17832 1 240 . 1 1 23 23 VAL HG11 H 1 0.939 0.007 . 2 . . . A 20 VAL HG11 . 17832 1 241 . 1 1 23 23 VAL HG12 H 1 0.939 0.007 . 2 . . . A 20 VAL HG12 . 17832 1 242 . 1 1 23 23 VAL HG13 H 1 0.939 0.007 . 2 . . . A 20 VAL HG13 . 17832 1 243 . 1 1 23 23 VAL HG21 H 1 1.142 0.005 . 2 . . . A 20 VAL HG21 . 17832 1 244 . 1 1 23 23 VAL HG22 H 1 1.142 0.005 . 2 . . . A 20 VAL HG22 . 17832 1 245 . 1 1 23 23 VAL HG23 H 1 1.142 0.005 . 2 . . . A 20 VAL HG23 . 17832 1 246 . 1 1 23 23 VAL C C 13 174.858 0 . 1 . . . A 20 VAL C . 17832 1 247 . 1 1 23 23 VAL CA C 13 62.761 0.037 . 1 . . . A 20 VAL CA . 17832 1 248 . 1 1 23 23 VAL CB C 13 29.222 0.025 . 1 . . . A 20 VAL CB . 17832 1 249 . 1 1 23 23 VAL CG1 C 13 20.632 0.025 . 2 . . . A 20 VAL CG1 . 17832 1 250 . 1 1 23 23 VAL CG2 C 13 18.403 0.026 . 2 . . . A 20 VAL CG2 . 17832 1 251 . 1 1 23 23 VAL N N 15 123.12 0.07 . 1 . . . A 20 VAL N . 17832 1 252 . 1 1 24 24 VAL H H 1 8.129 0.005 . 1 . . . A 21 VAL H . 17832 1 253 . 1 1 24 24 VAL HA H 1 3.541 0.006 . 1 . . . A 21 VAL HA . 17832 1 254 . 1 1 24 24 VAL HB H 1 1.977 0.005 . 1 . . . A 21 VAL HB . 17832 1 255 . 1 1 24 24 VAL HG11 H 1 0.954 0.007 . 2 . . . A 21 VAL HG11 . 17832 1 256 . 1 1 24 24 VAL HG12 H 1 0.954 0.007 . 2 . . . A 21 VAL HG12 . 17832 1 257 . 1 1 24 24 VAL HG13 H 1 0.954 0.007 . 2 . . . A 21 VAL HG13 . 17832 1 258 . 1 1 24 24 VAL HG21 H 1 1.036 0.004 . 2 . . . A 21 VAL HG21 . 17832 1 259 . 1 1 24 24 VAL HG22 H 1 1.036 0.004 . 2 . . . A 21 VAL HG22 . 17832 1 260 . 1 1 24 24 VAL HG23 H 1 1.036 0.004 . 2 . . . A 21 VAL HG23 . 17832 1 261 . 1 1 24 24 VAL C C 13 174.41 0 . 1 . . . A 21 VAL C . 17832 1 262 . 1 1 24 24 VAL CA C 13 61.966 0.024 . 1 . . . A 21 VAL CA . 17832 1 263 . 1 1 24 24 VAL CB C 13 29.36 0.046 . 1 . . . A 21 VAL CB . 17832 1 264 . 1 1 24 24 VAL CG1 C 13 20.68 0.021 . 2 . . . A 21 VAL CG1 . 17832 1 265 . 1 1 24 24 VAL CG2 C 13 19.554 0.017 . 2 . . . A 21 VAL CG2 . 17832 1 266 . 1 1 24 24 VAL N N 15 119.729 0.056 . 1 . . . A 21 VAL N . 17832 1 267 . 1 1 25 25 ARG H H 1 7.633 0.003 . 1 . . . A 22 ARG H . 17832 1 268 . 1 1 25 25 ARG HA H 1 3.952 0.005 . 1 . . . A 22 ARG HA . 17832 1 269 . 1 1 25 25 ARG HB2 H 1 1.848 0.005 . 2 . . . A 22 ARG HB2 . 17832 1 270 . 1 1 25 25 ARG HB3 H 1 1.714 0.008 . 2 . . . A 22 ARG HB3 . 17832 1 271 . 1 1 25 25 ARG HG2 H 1 1.639 0 . 2 . . . A 22 ARG HG2 . 17832 1 272 . 1 1 25 25 ARG HG3 H 1 1.539 0.004 . 2 . . . A 22 ARG HG3 . 17832 1 273 . 1 1 25 25 ARG HD2 H 1 3.12 0.004 . 2 . . . A 22 ARG HD2 . 17832 1 274 . 1 1 25 25 ARG HD3 H 1 3.12 0.004 . 2 . . . A 22 ARG HD3 . 17832 1 275 . 1 1 25 25 ARG C C 13 174.899 0 . 1 . . . A 22 ARG C . 17832 1 276 . 1 1 25 25 ARG CA C 13 56.097 0.046 . 1 . . . A 22 ARG CA . 17832 1 277 . 1 1 25 25 ARG CB C 13 27.473 0.035 . 1 . . . A 22 ARG CB . 17832 1 278 . 1 1 25 25 ARG CG C 13 24.739 0.142 . 1 . . . A 22 ARG CG . 17832 1 279 . 1 1 25 25 ARG CD C 13 40.646 0.038 . 1 . . . A 22 ARG CD . 17832 1 280 . 1 1 25 25 ARG N N 15 116.239 0.074 . 1 . . . A 22 ARG N . 17832 1 281 . 1 1 26 26 VAL H H 1 6.886 0.003 . 1 . . . A 23 VAL H . 17832 1 282 . 1 1 26 26 VAL HA H 1 3.995 0.005 . 1 . . . A 23 VAL HA . 17832 1 283 . 1 1 26 26 VAL HB H 1 2.167 0.005 . 1 . . . A 23 VAL HB . 17832 1 284 . 1 1 26 26 VAL HG11 H 1 0.994 0.002 . 2 . . . A 23 VAL HG11 . 17832 1 285 . 1 1 26 26 VAL HG12 H 1 0.994 0.002 . 2 . . . A 23 VAL HG12 . 17832 1 286 . 1 1 26 26 VAL HG13 H 1 0.994 0.002 . 2 . . . A 23 VAL HG13 . 17832 1 287 . 1 1 26 26 VAL HG21 H 1 1.048 0.006 . 2 . . . A 23 VAL HG21 . 17832 1 288 . 1 1 26 26 VAL HG22 H 1 1.048 0.006 . 2 . . . A 23 VAL HG22 . 17832 1 289 . 1 1 26 26 VAL HG23 H 1 1.048 0.006 . 2 . . . A 23 VAL HG23 . 17832 1 290 . 1 1 26 26 VAL C C 13 173.187 0 . 1 . . . A 23 VAL C . 17832 1 291 . 1 1 26 26 VAL CA C 13 61.107 0.041 . 1 . . . A 23 VAL CA . 17832 1 292 . 1 1 26 26 VAL CB C 13 29.977 0.042 . 1 . . . A 23 VAL CB . 17832 1 293 . 1 1 26 26 VAL CG1 C 13 18.879 0.009 . 2 . . . A 23 VAL CG1 . 17832 1 294 . 1 1 26 26 VAL CG2 C 13 18.607 0.02 . 2 . . . A 23 VAL CG2 . 17832 1 295 . 1 1 26 26 VAL N N 15 115.006 0.062 . 1 . . . A 23 VAL N . 17832 1 296 . 1 1 27 27 LEU H H 1 8.338 0.006 . 1 . . . A 24 LEU H . 17832 1 297 . 1 1 27 27 LEU HA H 1 4.93 0.013 . 1 . . . A 24 LEU HA . 17832 1 298 . 1 1 27 27 LEU HB2 H 1 1.714 0.005 . 2 . . . A 24 LEU HB2 . 17832 1 299 . 1 1 27 27 LEU HB3 H 1 1.449 0.007 . 2 . . . A 24 LEU HB3 . 17832 1 300 . 1 1 27 27 LEU HG H 1 1.595 0.004 . 1 . . . A 24 LEU HG . 17832 1 301 . 1 1 27 27 LEU HD11 H 1 0.985 0.003 . 2 . . . A 24 LEU HD11 . 17832 1 302 . 1 1 27 27 LEU HD12 H 1 0.985 0.003 . 2 . . . A 24 LEU HD12 . 17832 1 303 . 1 1 27 27 LEU HD13 H 1 0.985 0.003 . 2 . . . A 24 LEU HD13 . 17832 1 304 . 1 1 27 27 LEU HD21 H 1 0.964 0.002 . 2 . . . A 24 LEU HD21 . 17832 1 305 . 1 1 27 27 LEU HD22 H 1 0.964 0.002 . 2 . . . A 24 LEU HD22 . 17832 1 306 . 1 1 27 27 LEU HD23 H 1 0.964 0.002 . 2 . . . A 24 LEU HD23 . 17832 1 307 . 1 1 27 27 LEU C C 13 171.363 0 . 1 . . . A 24 LEU C . 17832 1 308 . 1 1 27 27 LEU CA C 13 48.752 0.058 . 1 . . . A 24 LEU CA . 17832 1 309 . 1 1 27 27 LEU CB C 13 40.669 0.029 . 1 . . . A 24 LEU CB . 17832 1 310 . 1 1 27 27 LEU CG C 13 24.185 0.041 . 1 . . . A 24 LEU CG . 17832 1 311 . 1 1 27 27 LEU CD1 C 13 22.854 0.061 . 2 . . . A 24 LEU CD1 . 17832 1 312 . 1 1 27 27 LEU CD2 C 13 22.854 0.061 . 2 . . . A 24 LEU CD2 . 17832 1 313 . 1 1 27 27 LEU N N 15 120.94 0.075 . 1 . . . A 24 LEU N . 17832 1 314 . 1 1 28 28 PRO HA H 1 4.767 0.006 . 1 . . . A 25 PRO HA . 17832 1 315 . 1 1 28 28 PRO HB2 H 1 2.43 0.007 . 2 . . . A 25 PRO HB2 . 17832 1 316 . 1 1 28 28 PRO HB3 H 1 1.999 0.005 . 2 . . . A 25 PRO HB3 . 17832 1 317 . 1 1 28 28 PRO HG2 H 1 2.11 0.006 . 2 . . . A 25 PRO HG2 . 17832 1 318 . 1 1 28 28 PRO HG3 H 1 2.11 0.006 . 2 . . . A 25 PRO HG3 . 17832 1 319 . 1 1 28 28 PRO HD2 H 1 3.874 0.003 . 2 . . . A 25 PRO HD2 . 17832 1 320 . 1 1 28 28 PRO HD3 H 1 3.488 0.005 . 2 . . . A 25 PRO HD3 . 17832 1 321 . 1 1 28 28 PRO C C 13 176.742 0 . 1 . . . A 25 PRO C . 17832 1 322 . 1 1 28 28 PRO CA C 13 63.453 0.023 . 1 . . . A 25 PRO CA . 17832 1 323 . 1 1 28 28 PRO CB C 13 29.004 0.053 . 1 . . . A 25 PRO CB . 17832 1 324 . 1 1 28 28 PRO CG C 13 24.53 0.024 . 1 . . . A 25 PRO CG . 17832 1 325 . 1 1 28 28 PRO CD C 13 47.676 0.036 . 1 . . . A 25 PRO CD . 17832 1 326 . 1 1 29 29 SER H H 1 8.279 0.006 . 1 . . . A 26 SER H . 17832 1 327 . 1 1 29 29 SER HA H 1 4.422 0.008 . 1 . . . A 26 SER HA . 17832 1 328 . 1 1 29 29 SER HB2 H 1 4.027 0.002 . 2 . . . A 26 SER HB2 . 17832 1 329 . 1 1 29 29 SER HB3 H 1 3.906 0.001 . 2 . . . A 26 SER HB3 . 17832 1 330 . 1 1 29 29 SER C C 13 172.811 0 . 1 . . . A 26 SER C . 17832 1 331 . 1 1 29 29 SER CA C 13 57.331 0.069 . 1 . . . A 26 SER CA . 17832 1 332 . 1 1 29 29 SER CB C 13 59.552 0.036 . 1 . . . A 26 SER CB . 17832 1 333 . 1 1 29 29 SER N N 15 111.726 0.056 . 1 . . . A 26 SER N . 17832 1 334 . 1 1 30 30 SER H H 1 8.642 0.004 . 1 . . . A 27 SER H . 17832 1 335 . 1 1 30 30 SER HA H 1 4.103 0.005 . 1 . . . A 27 SER HA . 17832 1 336 . 1 1 30 30 SER HB2 H 1 3.973 0.007 . 2 . . . A 27 SER HB2 . 17832 1 337 . 1 1 30 30 SER HB3 H 1 3.973 0.007 . 2 . . . A 27 SER HB3 . 17832 1 338 . 1 1 30 30 SER HG H 1 4.909 0.007 . 1 . . . A 27 SER HG . 17832 1 339 . 1 1 30 30 SER C C 13 174.324 0 . 1 . . . A 27 SER C . 17832 1 340 . 1 1 30 30 SER CA C 13 58.661 0.05 . 1 . . . A 27 SER CA . 17832 1 341 . 1 1 30 30 SER CB C 13 61.593 0.042 . 1 . . . A 27 SER CB . 17832 1 342 . 1 1 30 30 SER N N 15 116.503 0.067 . 1 . . . A 27 SER N . 17832 1 343 . 1 1 31 31 LEU H H 1 7.634 0.005 . 1 . . . A 28 LEU H . 17832 1 344 . 1 1 31 31 LEU HA H 1 4.281 0.005 . 1 . . . A 28 LEU HA . 17832 1 345 . 1 1 31 31 LEU HB2 H 1 2.153 0.006 . 2 . . . A 28 LEU HB2 . 17832 1 346 . 1 1 31 31 LEU HB3 H 1 1.734 0.005 . 2 . . . A 28 LEU HB3 . 17832 1 347 . 1 1 31 31 LEU HG H 1 1.865 0.006 . 1 . . . A 28 LEU HG . 17832 1 348 . 1 1 31 31 LEU HD11 H 1 0.993 0.005 . 2 . . . A 28 LEU HD11 . 17832 1 349 . 1 1 31 31 LEU HD12 H 1 0.993 0.005 . 2 . . . A 28 LEU HD12 . 17832 1 350 . 1 1 31 31 LEU HD13 H 1 0.993 0.005 . 2 . . . A 28 LEU HD13 . 17832 1 351 . 1 1 31 31 LEU HD21 H 1 1.052 0.003 . 2 . . . A 28 LEU HD21 . 17832 1 352 . 1 1 31 31 LEU HD22 H 1 1.052 0.003 . 2 . . . A 28 LEU HD22 . 17832 1 353 . 1 1 31 31 LEU HD23 H 1 1.052 0.003 . 2 . . . A 28 LEU HD23 . 17832 1 354 . 1 1 31 31 LEU C C 13 175.385 0 . 1 . . . A 28 LEU C . 17832 1 355 . 1 1 31 31 LEU CA C 13 56.992 0.059 . 1 . . . A 28 LEU CA . 17832 1 356 . 1 1 31 31 LEU CB C 13 38.241 0.034 . 1 . . . A 28 LEU CB . 17832 1 357 . 1 1 31 31 LEU CG C 13 24.328 0.1 . 1 . . . A 28 LEU CG . 17832 1 358 . 1 1 31 31 LEU CD1 C 13 23.32 0.148 . 2 . . . A 28 LEU CD1 . 17832 1 359 . 1 1 31 31 LEU CD2 C 13 20.716 0.026 . 2 . . . A 28 LEU CD2 . 17832 1 360 . 1 1 31 31 LEU N N 15 126.322 0.05 . 1 . . . A 28 LEU N . 17832 1 361 . 1 1 32 32 GLU H H 1 8.283 0.007 . 1 . . . A 29 GLU H . 17832 1 362 . 1 1 32 32 GLU HA H 1 4.23 0.007 . 1 . . . A 29 GLU HA . 17832 1 363 . 1 1 32 32 GLU HB2 H 1 2.143 0.002 . 2 . . . A 29 GLU HB2 . 17832 1 364 . 1 1 32 32 GLU HB3 H 1 2.065 0.001 . 2 . . . A 29 GLU HB3 . 17832 1 365 . 1 1 32 32 GLU HG2 H 1 2.445 0.006 . 2 . . . A 29 GLU HG2 . 17832 1 366 . 1 1 32 32 GLU HG3 H 1 2.262 0.007 . 2 . . . A 29 GLU HG3 . 17832 1 367 . 1 1 32 32 GLU C C 13 175.711 0 . 1 . . . A 29 GLU C . 17832 1 368 . 1 1 32 32 GLU CA C 13 56.205 0.04 . 1 . . . A 29 GLU CA . 17832 1 369 . 1 1 32 32 GLU CB C 13 26.903 0.048 . 1 . . . A 29 GLU CB . 17832 1 370 . 1 1 32 32 GLU CG C 13 33.857 0.032 . 1 . . . A 29 GLU CG . 17832 1 371 . 1 1 32 32 GLU N N 15 114.812 0.051 . 1 . . . A 29 GLU N . 17832 1 372 . 1 1 33 33 ILE H H 1 7.477 0.005 . 1 . . . A 30 ILE H . 17832 1 373 . 1 1 33 33 ILE HA H 1 3.773 0.006 . 1 . . . A 30 ILE HA . 17832 1 374 . 1 1 33 33 ILE HB H 1 1.921 0.007 . 1 . . . A 30 ILE HB . 17832 1 375 . 1 1 33 33 ILE HG12 H 1 1.719 0.005 . 1 . . . A 30 ILE HG12 . 17832 1 376 . 1 1 33 33 ILE HG13 H 1 0.867 0.005 . 1 . . . A 30 ILE HG13 . 17832 1 377 . 1 1 33 33 ILE HG21 H 1 0.597 0.003 . 1 . . . A 30 ILE HG21 . 17832 1 378 . 1 1 33 33 ILE HG22 H 1 0.597 0.003 . 1 . . . A 30 ILE HG22 . 17832 1 379 . 1 1 33 33 ILE HG23 H 1 0.597 0.003 . 1 . . . A 30 ILE HG23 . 17832 1 380 . 1 1 33 33 ILE HD11 H 1 0.693 0.01 . 1 . . . A 30 ILE HD11 . 17832 1 381 . 1 1 33 33 ILE HD12 H 1 0.693 0.01 . 1 . . . A 30 ILE HD12 . 17832 1 382 . 1 1 33 33 ILE HD13 H 1 0.693 0.01 . 1 . . . A 30 ILE HD13 . 17832 1 383 . 1 1 33 33 ILE C C 13 175.177 0 . 1 . . . A 30 ILE C . 17832 1 384 . 1 1 33 33 ILE CA C 13 62.116 0.031 . 1 . . . A 30 ILE CA . 17832 1 385 . 1 1 33 33 ILE CB C 13 35.018 0.043 . 1 . . . A 30 ILE CB . 17832 1 386 . 1 1 33 33 ILE CG1 C 13 25.979 0.03 . 1 . . . A 30 ILE CG1 . 17832 1 387 . 1 1 33 33 ILE CG2 C 13 15.97 0.013 . 1 . . . A 30 ILE CG2 . 17832 1 388 . 1 1 33 33 ILE CD1 C 13 10.91 0.017 . 1 . . . A 30 ILE CD1 . 17832 1 389 . 1 1 33 33 ILE N N 15 121.972 0.06 . 1 . . . A 30 ILE N . 17832 1 390 . 1 1 34 34 PHE H H 1 8.137 0.006 . 1 . . . A 31 PHE H . 17832 1 391 . 1 1 34 34 PHE HA H 1 4.208 0.005 . 1 . . . A 31 PHE HA . 17832 1 392 . 1 1 34 34 PHE HB2 H 1 3.334 0.005 . 2 . . . A 31 PHE HB2 . 17832 1 393 . 1 1 34 34 PHE HB3 H 1 3.017 0.006 . 2 . . . A 31 PHE HB3 . 17832 1 394 . 1 1 34 34 PHE HD1 H 1 7.119 0.008 . 3 . . . A 31 PHE HD1 . 17832 1 395 . 1 1 34 34 PHE HD2 H 1 7.119 0.008 . 3 . . . A 31 PHE HD2 . 17832 1 396 . 1 1 34 34 PHE HE1 H 1 6.54 0.005 . 3 . . . A 31 PHE HE1 . 17832 1 397 . 1 1 34 34 PHE HE2 H 1 6.54 0.005 . 3 . . . A 31 PHE HE2 . 17832 1 398 . 1 1 34 34 PHE HZ H 1 6.301 0.003 . 1 . . . A 31 PHE HZ . 17832 1 399 . 1 1 34 34 PHE C C 13 174.731 0 . 1 . . . A 31 PHE C . 17832 1 400 . 1 1 34 34 PHE CA C 13 61.035 0.048 . 1 . . . A 31 PHE CA . 17832 1 401 . 1 1 34 34 PHE CB C 13 36.224 0.036 . 1 . . . A 31 PHE CB . 17832 1 402 . 1 1 34 34 PHE N N 15 117.727 0.066 . 1 . . . A 31 PHE N . 17832 1 403 . 1 1 35 35 GLU H H 1 8.249 0.005 . 1 . . . A 32 GLU H . 17832 1 404 . 1 1 35 35 GLU HA H 1 2.721 0.006 . 1 . . . A 32 GLU HA . 17832 1 405 . 1 1 35 35 GLU HB2 H 1 1.947 0.017 . 2 . . . A 32 GLU HB2 . 17832 1 406 . 1 1 35 35 GLU HB3 H 1 1.718 0.005 . 2 . . . A 32 GLU HB3 . 17832 1 407 . 1 1 35 35 GLU HG2 H 1 1.893 0.005 . 2 . . . A 32 GLU HG2 . 17832 1 408 . 1 1 35 35 GLU HG3 H 1 1.721 0.005 . 2 . . . A 32 GLU HG3 . 17832 1 409 . 1 1 35 35 GLU C C 13 174.785 0 . 1 . . . A 32 GLU C . 17832 1 410 . 1 1 35 35 GLU CA C 13 57.304 0.025 . 1 . . . A 32 GLU CA . 17832 1 411 . 1 1 35 35 GLU CB C 13 26.997 0.03 . 1 . . . A 32 GLU CB . 17832 1 412 . 1 1 35 35 GLU CG C 13 33.888 0.039 . 1 . . . A 32 GLU CG . 17832 1 413 . 1 1 35 35 GLU N N 15 118.271 0.06 . 1 . . . A 32 GLU N . 17832 1 414 . 1 1 36 36 GLU H H 1 7.971 0.004 . 1 . . . A 33 GLU H . 17832 1 415 . 1 1 36 36 GLU HA H 1 3.887 0.005 . 1 . . . A 33 GLU HA . 17832 1 416 . 1 1 36 36 GLU HB2 H 1 2.149 0.004 . 2 . . . A 33 GLU HB2 . 17832 1 417 . 1 1 36 36 GLU HB3 H 1 1.975 0.005 . 2 . . . A 33 GLU HB3 . 17832 1 418 . 1 1 36 36 GLU HG2 H 1 2.433 0.004 . 2 . . . A 33 GLU HG2 . 17832 1 419 . 1 1 36 36 GLU HG3 H 1 2.143 0.004 . 2 . . . A 33 GLU HG3 . 17832 1 420 . 1 1 36 36 GLU C C 13 176.76 0 . 1 . . . A 33 GLU C . 17832 1 421 . 1 1 36 36 GLU CA C 13 57.241 0.053 . 1 . . . A 33 GLU CA . 17832 1 422 . 1 1 36 36 GLU CB C 13 26.806 0.052 . 1 . . . A 33 GLU CB . 17832 1 423 . 1 1 36 36 GLU CG C 13 34.032 0.04 . 1 . . . A 33 GLU CG . 17832 1 424 . 1 1 36 36 GLU N N 15 119.678 0.047 . 1 . . . A 33 GLU N . 17832 1 425 . 1 1 37 37 LEU H H 1 8.278 0.006 . 1 . . . A 34 LEU H . 17832 1 426 . 1 1 37 37 LEU HA H 1 4.28 0.009 . 1 . . . A 34 LEU HA . 17832 1 427 . 1 1 37 37 LEU HB2 H 1 2.453 0.006 . 2 . . . A 34 LEU HB2 . 17832 1 428 . 1 1 37 37 LEU HB3 H 1 1.571 0.004 . 2 . . . A 34 LEU HB3 . 17832 1 429 . 1 1 37 37 LEU HG H 1 1.888 0.008 . 1 . . . A 34 LEU HG . 17832 1 430 . 1 1 37 37 LEU HD11 H 1 1.491 0.004 . 2 . . . A 34 LEU HD11 . 17832 1 431 . 1 1 37 37 LEU HD12 H 1 1.491 0.004 . 2 . . . A 34 LEU HD12 . 17832 1 432 . 1 1 37 37 LEU HD13 H 1 1.491 0.004 . 2 . . . A 34 LEU HD13 . 17832 1 433 . 1 1 37 37 LEU HD21 H 1 1.182 0.005 . 2 . . . A 34 LEU HD21 . 17832 1 434 . 1 1 37 37 LEU HD22 H 1 1.182 0.005 . 2 . . . A 34 LEU HD22 . 17832 1 435 . 1 1 37 37 LEU HD23 H 1 1.182 0.005 . 2 . . . A 34 LEU HD23 . 17832 1 436 . 1 1 37 37 LEU C C 13 174.327 0 . 1 . . . A 34 LEU C . 17832 1 437 . 1 1 37 37 LEU CA C 13 55.502 0.056 . 1 . . . A 34 LEU CA . 17832 1 438 . 1 1 37 37 LEU CB C 13 39.354 0.039 . 1 . . . A 34 LEU CB . 17832 1 439 . 1 1 37 37 LEU CG C 13 25.069 0.07 . 1 . . . A 34 LEU CG . 17832 1 440 . 1 1 37 37 LEU CD1 C 13 26.132 0.025 . 2 . . . A 34 LEU CD1 . 17832 1 441 . 1 1 37 37 LEU CD2 C 13 22.449 0.012 . 2 . . . A 34 LEU CD2 . 17832 1 442 . 1 1 37 37 LEU N N 15 120.144 0.054 . 1 . . . A 34 LEU N . 17832 1 443 . 1 1 38 38 TYR H H 1 8.417 0.004 . 1 . . . A 35 TYR H . 17832 1 444 . 1 1 38 38 TYR HA H 1 4.07 0.005 . 1 . . . A 35 TYR HA . 17832 1 445 . 1 1 38 38 TYR HB2 H 1 3.131 0.01 . 2 . . . A 35 TYR HB2 . 17832 1 446 . 1 1 38 38 TYR HB3 H 1 3.131 0.01 . 2 . . . A 35 TYR HB3 . 17832 1 447 . 1 1 38 38 TYR HD1 H 1 6.971 0.012 . 3 . . . A 35 TYR HD1 . 17832 1 448 . 1 1 38 38 TYR HD2 H 1 6.971 0.012 . 3 . . . A 35 TYR HD2 . 17832 1 449 . 1 1 38 38 TYR HE1 H 1 6.834 0.01 . 3 . . . A 35 TYR HE1 . 17832 1 450 . 1 1 38 38 TYR HE2 H 1 6.834 0.01 . 3 . . . A 35 TYR HE2 . 17832 1 451 . 1 1 38 38 TYR C C 13 173.298 0 . 1 . . . A 35 TYR C . 17832 1 452 . 1 1 38 38 TYR CA C 13 59.098 0.006 . 1 . . . A 35 TYR CA . 17832 1 453 . 1 1 38 38 TYR CB C 13 36.534 0.038 . 1 . . . A 35 TYR CB . 17832 1 454 . 1 1 38 38 TYR N N 15 119.703 0.051 . 1 . . . A 35 TYR N . 17832 1 455 . 1 1 39 39 LYS H H 1 8.441 0.007 . 1 . . . A 36 LYS H . 17832 1 456 . 1 1 39 39 LYS HA H 1 3.621 0.005 . 1 . . . A 36 LYS HA . 17832 1 457 . 1 1 39 39 LYS HB2 H 1 1.815 0.01 . 2 . . . A 36 LYS HB2 . 17832 1 458 . 1 1 39 39 LYS HB3 H 1 1.815 0.01 . 2 . . . A 36 LYS HB3 . 17832 1 459 . 1 1 39 39 LYS HG2 H 1 1.694 0.01 . 2 . . . A 36 LYS HG2 . 17832 1 460 . 1 1 39 39 LYS HG3 H 1 1.424 0.008 . 2 . . . A 36 LYS HG3 . 17832 1 461 . 1 1 39 39 LYS HD2 H 1 1.641 0.005 . 2 . . . A 36 LYS HD2 . 17832 1 462 . 1 1 39 39 LYS HD3 H 1 1.641 0.005 . 2 . . . A 36 LYS HD3 . 17832 1 463 . 1 1 39 39 LYS HE2 H 1 2.938 0.011 . 2 . . . A 36 LYS HE2 . 17832 1 464 . 1 1 39 39 LYS HE3 H 1 2.938 0.011 . 2 . . . A 36 LYS HE3 . 17832 1 465 . 1 1 39 39 LYS C C 13 176.456 0 . 1 . . . A 36 LYS C . 17832 1 466 . 1 1 39 39 LYS CA C 13 57.011 0.044 . 1 . . . A 36 LYS CA . 17832 1 467 . 1 1 39 39 LYS CB C 13 29.694 0.043 . 1 . . . A 36 LYS CB . 17832 1 468 . 1 1 39 39 LYS CG C 13 23.48 0.065 . 1 . . . A 36 LYS CG . 17832 1 469 . 1 1 39 39 LYS CD C 13 26.677 0.061 . 1 . . . A 36 LYS CD . 17832 1 470 . 1 1 39 39 LYS CE C 13 39.373 0.031 . 1 . . . A 36 LYS CE . 17832 1 471 . 1 1 39 39 LYS N N 15 115.392 0.053 . 1 . . . A 36 LYS N . 17832 1 472 . 1 1 40 40 TYR H H 1 8.344 0.01 . 1 . . . A 37 TYR H . 17832 1 473 . 1 1 40 40 TYR HA H 1 4.078 0.005 . 1 . . . A 37 TYR HA . 17832 1 474 . 1 1 40 40 TYR HB2 H 1 3.256 0.003 . 2 . . . A 37 TYR HB2 . 17832 1 475 . 1 1 40 40 TYR HB3 H 1 3.178 0.003 . 2 . . . A 37 TYR HB3 . 17832 1 476 . 1 1 40 40 TYR HD1 H 1 7.015 0.008 . 3 . . . A 37 TYR HD1 . 17832 1 477 . 1 1 40 40 TYR HD2 H 1 7.015 0.008 . 3 . . . A 37 TYR HD2 . 17832 1 478 . 1 1 40 40 TYR HE1 H 1 6.842 0.006 . 3 . . . A 37 TYR HE1 . 17832 1 479 . 1 1 40 40 TYR HE2 H 1 6.842 0.006 . 3 . . . A 37 TYR HE2 . 17832 1 480 . 1 1 40 40 TYR C C 13 175.043 0 . 1 . . . A 37 TYR C . 17832 1 481 . 1 1 40 40 TYR CA C 13 58.971 0.063 . 1 . . . A 37 TYR CA . 17832 1 482 . 1 1 40 40 TYR CB C 13 35.875 0.034 . 1 . . . A 37 TYR CB . 17832 1 483 . 1 1 40 40 TYR N N 15 120.325 0.053 . 1 . . . A 37 TYR N . 17832 1 484 . 1 1 41 41 ALA H H 1 8.291 0.004 . 1 . . . A 38 ALA H . 17832 1 485 . 1 1 41 41 ALA HA H 1 3.746 0.005 . 1 . . . A 38 ALA HA . 17832 1 486 . 1 1 41 41 ALA HB1 H 1 1.454 0.004 . 1 . . . A 38 ALA HB1 . 17832 1 487 . 1 1 41 41 ALA HB2 H 1 1.454 0.004 . 1 . . . A 38 ALA HB2 . 17832 1 488 . 1 1 41 41 ALA HB3 H 1 1.454 0.004 . 1 . . . A 38 ALA HB3 . 17832 1 489 . 1 1 41 41 ALA C C 13 175.962 0 . 1 . . . A 38 ALA C . 17832 1 490 . 1 1 41 41 ALA CA C 13 51.78 0.031 . 1 . . . A 38 ALA CA . 17832 1 491 . 1 1 41 41 ALA CB C 13 17.381 0.036 . 1 . . . A 38 ALA CB . 17832 1 492 . 1 1 41 41 ALA N N 15 121.802 0.077 . 1 . . . A 38 ALA N . 17832 1 493 . 1 1 42 42 LEU H H 1 7.865 0.008 . 1 . . . A 39 LEU H . 17832 1 494 . 1 1 42 42 LEU HA H 1 3.82 0.006 . 1 . . . A 39 LEU HA . 17832 1 495 . 1 1 42 42 LEU HB2 H 1 1.343 0.002 . 2 . . . A 39 LEU HB2 . 17832 1 496 . 1 1 42 42 LEU HB3 H 1 1.242 0.002 . 2 . . . A 39 LEU HB3 . 17832 1 497 . 1 1 42 42 LEU HG H 1 1.286 0.003 . 1 . . . A 39 LEU HG . 17832 1 498 . 1 1 42 42 LEU HD11 H 1 0.449 0.005 . 2 . . . A 39 LEU HD11 . 17832 1 499 . 1 1 42 42 LEU HD12 H 1 0.449 0.005 . 2 . . . A 39 LEU HD12 . 17832 1 500 . 1 1 42 42 LEU HD13 H 1 0.449 0.005 . 2 . . . A 39 LEU HD13 . 17832 1 501 . 1 1 42 42 LEU HD21 H 1 0.598 0.004 . 2 . . . A 39 LEU HD21 . 17832 1 502 . 1 1 42 42 LEU HD22 H 1 0.598 0.004 . 2 . . . A 39 LEU HD22 . 17832 1 503 . 1 1 42 42 LEU HD23 H 1 0.598 0.004 . 2 . . . A 39 LEU HD23 . 17832 1 504 . 1 1 42 42 LEU C C 13 176.02 0 . 1 . . . A 39 LEU C . 17832 1 505 . 1 1 42 42 LEU CA C 13 54.011 0.06 . 1 . . . A 39 LEU CA . 17832 1 506 . 1 1 42 42 LEU CB C 13 39.796 0.049 . 1 . . . A 39 LEU CB . 17832 1 507 . 1 1 42 42 LEU CG C 13 23.795 0.08 . 1 . . . A 39 LEU CG . 17832 1 508 . 1 1 42 42 LEU CD1 C 13 22.155 0.04 . 2 . . . A 39 LEU CD1 . 17832 1 509 . 1 1 42 42 LEU CD2 C 13 20.702 0.021 . 2 . . . A 39 LEU CD2 . 17832 1 510 . 1 1 42 42 LEU N N 15 116.563 0.064 . 1 . . . A 39 LEU N . 17832 1 511 . 1 1 43 43 ASN H H 1 7.467 0.003 . 1 . . . A 40 ASN H . 17832 1 512 . 1 1 43 43 ASN HA H 1 4.436 0.002 . 1 . . . A 40 ASN HA . 17832 1 513 . 1 1 43 43 ASN HB2 H 1 2.767 0.004 . 2 . . . A 40 ASN HB2 . 17832 1 514 . 1 1 43 43 ASN HB3 H 1 2.585 0.002 . 2 . . . A 40 ASN HB3 . 17832 1 515 . 1 1 43 43 ASN HD21 H 1 7.616 0.005 . 2 . . . A 40 ASN HD21 . 17832 1 516 . 1 1 43 43 ASN HD22 H 1 6.838 0.001 . 2 . . . A 40 ASN HD22 . 17832 1 517 . 1 1 43 43 ASN C C 13 173.39 0 . 1 . . . A 40 ASN C . 17832 1 518 . 1 1 43 43 ASN CA C 13 51.492 0.056 . 1 . . . A 40 ASN CA . 17832 1 519 . 1 1 43 43 ASN CB C 13 36.401 0.015 . 1 . . . A 40 ASN CB . 17832 1 520 . 1 1 43 43 ASN N N 15 115.561 0.066 . 1 . . . A 40 ASN N . 17832 1 521 . 1 1 43 43 ASN ND2 N 15 113.525 0.008 . 1 . . . A 40 ASN ND2 . 17832 1 522 . 1 1 44 44 GLU H H 1 7.817 0.004 . 1 . . . A 41 GLU H . 17832 1 523 . 1 1 44 44 GLU HA H 1 3.986 0.004 . 1 . . . A 41 GLU HA . 17832 1 524 . 1 1 44 44 GLU HB2 H 1 1.866 0.006 . 2 . . . A 41 GLU HB2 . 17832 1 525 . 1 1 44 44 GLU HB3 H 1 1.765 0.005 . 2 . . . A 41 GLU HB3 . 17832 1 526 . 1 1 44 44 GLU HG2 H 1 2.078 0.004 . 2 . . . A 41 GLU HG2 . 17832 1 527 . 1 1 44 44 GLU HG3 H 1 1.962 0.003 . 2 . . . A 41 GLU HG3 . 17832 1 528 . 1 1 44 44 GLU C C 13 174.161 0 . 1 . . . A 41 GLU C . 17832 1 529 . 1 1 44 44 GLU CA C 13 54.775 0.033 . 1 . . . A 41 GLU CA . 17832 1 530 . 1 1 44 44 GLU CB C 13 27.094 0.024 . 1 . . . A 41 GLU CB . 17832 1 531 . 1 1 44 44 GLU CG C 13 33.392 0.032 . 1 . . . A 41 GLU CG . 17832 1 532 . 1 1 44 44 GLU N N 15 120.609 0.052 . 1 . . . A 41 GLU N . 17832 1 533 . 1 1 45 45 ASN H H 1 8.087 0.007 . 1 . . . A 42 ASN H . 17832 1 534 . 1 1 45 45 ASN HA H 1 4.618 0.005 . 1 . . . A 42 ASN HA . 17832 1 535 . 1 1 45 45 ASN HB2 H 1 2.798 0.012 . 2 . . . A 42 ASN HB2 . 17832 1 536 . 1 1 45 45 ASN HB3 H 1 2.709 0.002 . 2 . . . A 42 ASN HB3 . 17832 1 537 . 1 1 45 45 ASN HD21 H 1 7.537 0.002 . 2 . . . A 42 ASN HD21 . 17832 1 538 . 1 1 45 45 ASN HD22 H 1 6.884 0.008 . 2 . . . A 42 ASN HD22 . 17832 1 539 . 1 1 45 45 ASN C C 13 172.912 0 . 1 . . . A 42 ASN C . 17832 1 540 . 1 1 45 45 ASN CA C 13 50.988 0.091 . 1 . . . A 42 ASN CA . 17832 1 541 . 1 1 45 45 ASN CB C 13 36.267 0.026 . 1 . . . A 42 ASN CB . 17832 1 542 . 1 1 45 45 ASN N N 15 118.453 0.051 . 1 . . . A 42 ASN N . 17832 1 543 . 1 1 45 45 ASN ND2 N 15 113.096 0.039 . 1 . . . A 42 ASN ND2 . 17832 1 544 . 1 1 46 46 SER H H 1 8.062 0.002 . 1 . . . A 43 SER H . 17832 1 545 . 1 1 46 46 SER HA H 1 4.292 0.004 . 1 . . . A 43 SER HA . 17832 1 546 . 1 1 46 46 SER HB2 H 1 3.841 0 . 2 . . . A 43 SER HB2 . 17832 1 547 . 1 1 46 46 SER HB3 H 1 3.841 0 . 2 . . . A 43 SER HB3 . 17832 1 548 . 1 1 46 46 SER C C 13 172.136 0 . 1 . . . A 43 SER C . 17832 1 549 . 1 1 46 46 SER CA C 13 56.202 0.011 . 1 . . . A 43 SER CA . 17832 1 550 . 1 1 46 46 SER CB C 13 60.909 0.095 . 1 . . . A 43 SER CB . 17832 1 551 . 1 1 46 46 SER N N 15 115.581 0.054 . 1 . . . A 43 SER N . 17832 1 552 . 1 1 47 47 ASN H H 1 8.329 0.004 . 1 . . . A 44 ASN H . 17832 1 553 . 1 1 47 47 ASN HA H 1 4.617 0.002 . 1 . . . A 44 ASN HA . 17832 1 554 . 1 1 47 47 ASN HB2 H 1 2.783 0.002 . 2 . . . A 44 ASN HB2 . 17832 1 555 . 1 1 47 47 ASN HB3 H 1 2.711 0.002 . 2 . . . A 44 ASN HB3 . 17832 1 556 . 1 1 47 47 ASN HD21 H 1 7.563 0 . 2 . . . A 44 ASN HD21 . 17832 1 557 . 1 1 47 47 ASN HD22 H 1 6.853 0 . 2 . . . A 44 ASN HD22 . 17832 1 558 . 1 1 47 47 ASN C C 13 172.545 0 . 1 . . . A 44 ASN C . 17832 1 559 . 1 1 47 47 ASN CA C 13 51.174 0.015 . 1 . . . A 44 ASN CA . 17832 1 560 . 1 1 47 47 ASN CB C 13 36.208 0.027 . 1 . . . A 44 ASN CB . 17832 1 561 . 1 1 47 47 ASN N N 15 120.517 0.07 . 1 . . . A 44 ASN N . 17832 1 562 . 1 1 47 47 ASN ND2 N 15 113.238 0 . 1 . . . A 44 ASN ND2 . 17832 1 563 . 1 1 48 48 ASP H H 1 8.22 0.004 . 1 . . . A 45 ASP H . 17832 1 564 . 1 1 48 48 ASP HA H 1 4.5 0.001 . 1 . . . A 45 ASP HA . 17832 1 565 . 1 1 48 48 ASP HB2 H 1 2.633 0.002 . 2 . . . A 45 ASP HB2 . 17832 1 566 . 1 1 48 48 ASP HB3 H 1 2.633 0.002 . 2 . . . A 45 ASP HB3 . 17832 1 567 . 1 1 48 48 ASP C C 13 173.835 0 . 1 . . . A 45 ASP C . 17832 1 568 . 1 1 48 48 ASP CA C 13 52.03 0.062 . 1 . . . A 45 ASP CA . 17832 1 569 . 1 1 48 48 ASP CB C 13 38.326 0.072 . 1 . . . A 45 ASP CB . 17832 1 570 . 1 1 48 48 ASP N N 15 120.294 0.052 . 1 . . . A 45 ASP N . 17832 1 571 . 1 1 49 49 ARG H H 1 8.18 0.004 . 1 . . . A 46 ARG H . 17832 1 572 . 1 1 49 49 ARG HA H 1 4.274 0.003 . 1 . . . A 46 ARG HA . 17832 1 573 . 1 1 49 49 ARG HB2 H 1 1.872 0.005 . 2 . . . A 46 ARG HB2 . 17832 1 574 . 1 1 49 49 ARG HB3 H 1 1.702 0.006 . 2 . . . A 46 ARG HB3 . 17832 1 575 . 1 1 49 49 ARG HG2 H 1 1.587 0 . 2 . . . A 46 ARG HG2 . 17832 1 576 . 1 1 49 49 ARG HG3 H 1 1.53 0 . 2 . . . A 46 ARG HG3 . 17832 1 577 . 1 1 49 49 ARG HD2 H 1 3.12 0.004 . 2 . . . A 46 ARG HD2 . 17832 1 578 . 1 1 49 49 ARG HD3 H 1 3.12 0.004 . 2 . . . A 46 ARG HD3 . 17832 1 579 . 1 1 49 49 ARG C C 13 174.032 0 . 1 . . . A 46 ARG C . 17832 1 580 . 1 1 49 49 ARG CA C 13 53.425 0.037 . 1 . . . A 46 ARG CA . 17832 1 581 . 1 1 49 49 ARG CB C 13 27.615 0.046 . 1 . . . A 46 ARG CB . 17832 1 582 . 1 1 49 49 ARG CG C 13 24.481 0.009 . 1 . . . A 46 ARG CG . 17832 1 583 . 1 1 49 49 ARG N N 15 121.139 0.074 . 1 . . . A 46 ARG N . 17832 1 584 . 1 1 50 50 SER H H 1 8.236 0.002 . 1 . . . A 47 SER H . 17832 1 585 . 1 1 50 50 SER HA H 1 4.269 0.004 . 1 . . . A 47 SER HA . 17832 1 586 . 1 1 50 50 SER HB2 H 1 3.81 0.002 . 2 . . . A 47 SER HB2 . 17832 1 587 . 1 1 50 50 SER HB3 H 1 3.81 0.002 . 2 . . . A 47 SER HB3 . 17832 1 588 . 1 1 50 50 SER C C 13 172.337 0 . 1 . . . A 47 SER C . 17832 1 589 . 1 1 50 50 SER CA C 13 56.379 0.028 . 1 . . . A 47 SER CA . 17832 1 590 . 1 1 50 50 SER CB C 13 60.97 0.058 . 1 . . . A 47 SER CB . 17832 1 591 . 1 1 50 50 SER N N 15 116.289 0.08 . 1 . . . A 47 SER N . 17832 1 592 . 1 1 51 51 GLU H H 1 8.423 0.005 . 1 . . . A 48 GLU H . 17832 1 593 . 1 1 51 51 GLU HA H 1 4.134 0.004 . 1 . . . A 48 GLU HA . 17832 1 594 . 1 1 51 51 GLU HB2 H 1 1.885 0 . 2 . . . A 48 GLU HB2 . 17832 1 595 . 1 1 51 51 GLU HB3 H 1 1.811 0.002 . 2 . . . A 48 GLU HB3 . 17832 1 596 . 1 1 51 51 GLU HG2 H 1 2.106 0 . 2 . . . A 48 GLU HG2 . 17832 1 597 . 1 1 51 51 GLU HG3 H 1 2.056 0.003 . 2 . . . A 48 GLU HG3 . 17832 1 598 . 1 1 51 51 GLU C C 13 174.002 0 . 1 . . . A 48 GLU C . 17832 1 599 . 1 1 51 51 GLU CA C 13 54.285 0.026 . 1 . . . A 48 GLU CA . 17832 1 600 . 1 1 51 51 GLU CB C 13 27.192 0.061 . 1 . . . A 48 GLU CB . 17832 1 601 . 1 1 51 51 GLU CG C 13 33.372 0.029 . 1 . . . A 48 GLU CG . 17832 1 602 . 1 1 51 51 GLU N N 15 122.019 0.063 . 1 . . . A 48 GLU N . 17832 1 603 . 1 1 52 52 HIS H H 1 8.117 0.004 . 1 . . . A 49 HIS H . 17832 1 604 . 1 1 52 52 HIS HA H 1 4.486 0.004 . 1 . . . A 49 HIS HA . 17832 1 605 . 1 1 52 52 HIS HB2 H 1 3.026 0 . 2 . . . A 49 HIS HB2 . 17832 1 606 . 1 1 52 52 HIS HB3 H 1 2.946 0 . 2 . . . A 49 HIS HB3 . 17832 1 607 . 1 1 52 52 HIS C C 13 172.663 0 . 1 . . . A 49 HIS C . 17832 1 608 . 1 1 52 52 HIS CA C 13 53.775 0.07 . 1 . . . A 49 HIS CA . 17832 1 609 . 1 1 52 52 HIS CB C 13 27.714 0.025 . 1 . . . A 49 HIS CB . 17832 1 610 . 1 1 52 52 HIS N N 15 119.075 0.071 . 1 . . . A 49 HIS N . 17832 1 611 . 1 1 53 53 HIS H H 1 8.068 0.005 . 1 . . . A 50 HIS H . 17832 1 612 . 1 1 53 53 HIS HA H 1 4.538 0.003 . 1 . . . A 50 HIS HA . 17832 1 613 . 1 1 53 53 HIS HB2 H 1 3.091 0.002 . 2 . . . A 50 HIS HB2 . 17832 1 614 . 1 1 53 53 HIS HB3 H 1 3.008 0.006 . 2 . . . A 50 HIS HB3 . 17832 1 615 . 1 1 53 53 HIS C C 13 172.355 0 . 1 . . . A 50 HIS C . 17832 1 616 . 1 1 53 53 HIS CA C 13 53.433 0.053 . 1 . . . A 50 HIS CA . 17832 1 617 . 1 1 53 53 HIS CB C 13 27.694 0.048 . 1 . . . A 50 HIS CB . 17832 1 618 . 1 1 53 53 HIS N N 15 119.483 0.076 . 1 . . . A 50 HIS N . 17832 1 619 . 1 1 54 54 LYS H H 1 8.121 0.004 . 1 . . . A 51 LYS H . 17832 1 620 . 1 1 54 54 LYS HA H 1 4.215 0.007 . 1 . . . A 51 LYS HA . 17832 1 621 . 1 1 54 54 LYS HB2 H 1 1.732 0.008 . 2 . . . A 51 LYS HB2 . 17832 1 622 . 1 1 54 54 LYS HB3 H 1 1.639 0.006 . 2 . . . A 51 LYS HB3 . 17832 1 623 . 1 1 54 54 LYS HD2 H 1 1.61 0.005 . 2 . . . A 51 LYS HD2 . 17832 1 624 . 1 1 54 54 LYS HD3 H 1 1.61 0.005 . 2 . . . A 51 LYS HD3 . 17832 1 625 . 1 1 54 54 LYS C C 13 173.474 0 . 1 . . . A 51 LYS C . 17832 1 626 . 1 1 54 54 LYS CA C 13 53.445 0.058 . 1 . . . A 51 LYS CA . 17832 1 627 . 1 1 54 54 LYS CB C 13 30.329 0.024 . 1 . . . A 51 LYS CB . 17832 1 628 . 1 1 54 54 LYS CG C 13 22.064 0.021 . 1 . . . A 51 LYS CG . 17832 1 629 . 1 1 54 54 LYS CD C 13 26.404 0.019 . 1 . . . A 51 LYS CD . 17832 1 630 . 1 1 54 54 LYS N N 15 122.136 0.085 . 1 . . . A 51 LYS N . 17832 1 631 . 1 1 55 55 LYS H H 1 8.262 0.003 . 1 . . . A 52 LYS H . 17832 1 632 . 1 1 55 55 LYS HA H 1 4.508 0.003 . 1 . . . A 52 LYS HA . 17832 1 633 . 1 1 55 55 LYS HB2 H 1 1.768 0.005 . 2 . . . A 52 LYS HB2 . 17832 1 634 . 1 1 55 55 LYS HB3 H 1 1.653 0.002 . 2 . . . A 52 LYS HB3 . 17832 1 635 . 1 1 55 55 LYS HG2 H 1 1.415 0.004 . 2 . . . A 52 LYS HG2 . 17832 1 636 . 1 1 55 55 LYS HG3 H 1 1.415 0.004 . 2 . . . A 52 LYS HG3 . 17832 1 637 . 1 1 55 55 LYS HD2 H 1 1.629 0.002 . 2 . . . A 52 LYS HD2 . 17832 1 638 . 1 1 55 55 LYS HD3 H 1 1.629 0.002 . 2 . . . A 52 LYS HD3 . 17832 1 639 . 1 1 55 55 LYS HE2 H 1 2.931 0.001 . 2 . . . A 52 LYS HE2 . 17832 1 640 . 1 1 55 55 LYS HE3 H 1 2.931 0.001 . 2 . . . A 52 LYS HE3 . 17832 1 641 . 1 1 55 55 LYS C C 13 171.685 0 . 1 . . . A 52 LYS C . 17832 1 642 . 1 1 55 55 LYS CA C 13 51.516 0.026 . 1 . . . A 52 LYS CA . 17832 1 643 . 1 1 55 55 LYS CB C 13 29.818 0.029 . 1 . . . A 52 LYS CB . 17832 1 644 . 1 1 55 55 LYS CG C 13 21.91 0.024 . 1 . . . A 52 LYS CG . 17832 1 645 . 1 1 55 55 LYS CD C 13 26.502 0.012 . 1 . . . A 52 LYS CD . 17832 1 646 . 1 1 55 55 LYS CE C 13 39.417 0.026 . 1 . . . A 52 LYS CE . 17832 1 647 . 1 1 55 55 LYS N N 15 124.022 0.05 . 1 . . . A 52 LYS N . 17832 1 648 . 1 1 56 56 PRO HA H 1 4.34 0.002 . 1 . . . A 53 PRO HA . 17832 1 649 . 1 1 56 56 PRO HB2 H 1 2.224 0.006 . 2 . . . A 53 PRO HB2 . 17832 1 650 . 1 1 56 56 PRO HB3 H 1 1.796 0.005 . 2 . . . A 53 PRO HB3 . 17832 1 651 . 1 1 56 56 PRO HG2 H 1 1.948 0.005 . 2 . . . A 53 PRO HG2 . 17832 1 652 . 1 1 56 56 PRO HG3 H 1 1.948 0.005 . 2 . . . A 53 PRO HG3 . 17832 1 653 . 1 1 56 56 PRO HD2 H 1 3.769 0.006 . 2 . . . A 53 PRO HD2 . 17832 1 654 . 1 1 56 56 PRO HD3 H 1 3.594 0.004 . 2 . . . A 53 PRO HD3 . 17832 1 655 . 1 1 56 56 PRO C C 13 173.83 0 . 1 . . . A 53 PRO C . 17832 1 656 . 1 1 56 56 PRO CA C 13 60.496 0.122 . 1 . . . A 53 PRO CA . 17832 1 657 . 1 1 56 56 PRO CB C 13 29.444 0.087 . 1 . . . A 53 PRO CB . 17832 1 658 . 1 1 56 56 PRO CG C 13 24.685 0.033 . 1 . . . A 53 PRO CG . 17832 1 659 . 1 1 56 56 PRO CD C 13 47.979 0.053 . 1 . . . A 53 PRO CD . 17832 1 660 . 1 1 57 57 ARG H H 1 8.396 0.005 . 1 . . . A 54 ARG H . 17832 1 661 . 1 1 57 57 ARG HA H 1 4.279 0.002 . 1 . . . A 54 ARG HA . 17832 1 662 . 1 1 57 57 ARG HB2 H 1 1.769 0.002 . 2 . . . A 54 ARG HB2 . 17832 1 663 . 1 1 57 57 ARG HB3 H 1 1.696 0.002 . 2 . . . A 54 ARG HB3 . 17832 1 664 . 1 1 57 57 ARG HG2 H 1 1.56 0 . 2 . . . A 54 ARG HG2 . 17832 1 665 . 1 1 57 57 ARG HG3 H 1 1.56 0 . 2 . . . A 54 ARG HG3 . 17832 1 666 . 1 1 57 57 ARG HD2 H 1 3.137 0 . 2 . . . A 54 ARG HD2 . 17832 1 667 . 1 1 57 57 ARG HD3 H 1 3.137 0 . 2 . . . A 54 ARG HD3 . 17832 1 668 . 1 1 57 57 ARG C C 13 173.56 0 . 1 . . . A 54 ARG C . 17832 1 669 . 1 1 57 57 ARG CA C 13 53.172 0.013 . 1 . . . A 54 ARG CA . 17832 1 670 . 1 1 57 57 ARG CB C 13 28.273 0.038 . 1 . . . A 54 ARG CB . 17832 1 671 . 1 1 57 57 ARG CG C 13 24.477 0 . 1 . . . A 54 ARG CG . 17832 1 672 . 1 1 57 57 ARG CD C 13 40.678 0 . 1 . . . A 54 ARG CD . 17832 1 673 . 1 1 57 57 ARG N N 15 121.87 0.067 . 1 . . . A 54 ARG N . 17832 1 674 . 1 1 58 58 ILE H H 1 8.258 0.005 . 1 . . . A 55 ILE H . 17832 1 675 . 1 1 58 58 ILE HA H 1 4.117 0.007 . 1 . . . A 55 ILE HA . 17832 1 676 . 1 1 58 58 ILE HB H 1 1.791 0.004 . 1 . . . A 55 ILE HB . 17832 1 677 . 1 1 58 58 ILE HG12 H 1 1.367 0.005 . 1 . . . A 55 ILE HG12 . 17832 1 678 . 1 1 58 58 ILE HG13 H 1 1.104 0.008 . 1 . . . A 55 ILE HG13 . 17832 1 679 . 1 1 58 58 ILE HG21 H 1 0.827 0.01 . 1 . . . A 55 ILE HG21 . 17832 1 680 . 1 1 58 58 ILE HG22 H 1 0.827 0.01 . 1 . . . A 55 ILE HG22 . 17832 1 681 . 1 1 58 58 ILE HG23 H 1 0.827 0.01 . 1 . . . A 55 ILE HG23 . 17832 1 682 . 1 1 58 58 ILE HD11 H 1 0.785 0.001 . 1 . . . A 55 ILE HD11 . 17832 1 683 . 1 1 58 58 ILE HD12 H 1 0.785 0.001 . 1 . . . A 55 ILE HD12 . 17832 1 684 . 1 1 58 58 ILE HD13 H 1 0.785 0.001 . 1 . . . A 55 ILE HD13 . 17832 1 685 . 1 1 58 58 ILE C C 13 173.034 0 . 1 . . . A 55 ILE C . 17832 1 686 . 1 1 58 58 ILE CA C 13 58.378 0.052 . 1 . . . A 55 ILE CA . 17832 1 687 . 1 1 58 58 ILE CB C 13 36.113 0.028 . 1 . . . A 55 ILE CB . 17832 1 688 . 1 1 58 58 ILE CG1 C 13 24.504 0.04 . 1 . . . A 55 ILE CG1 . 17832 1 689 . 1 1 58 58 ILE CG2 C 13 14.866 0.006 . 1 . . . A 55 ILE CG2 . 17832 1 690 . 1 1 58 58 ILE CD1 C 13 10.22 0.008 . 1 . . . A 55 ILE CD1 . 17832 1 691 . 1 1 58 58 ILE N N 15 122.683 0.108 . 1 . . . A 55 ILE N . 17832 1 692 . 1 1 59 59 ASP H H 1 8.364 0.006 . 1 . . . A 56 ASP H . 17832 1 693 . 1 1 59 59 ASP HA H 1 4.581 0 . 1 . . . A 56 ASP HA . 17832 1 694 . 1 1 59 59 ASP HB2 H 1 2.66 0.005 . 2 . . . A 56 ASP HB2 . 17832 1 695 . 1 1 59 59 ASP HB3 H 1 2.568 0.011 . 2 . . . A 56 ASP HB3 . 17832 1 696 . 1 1 59 59 ASP C C 13 172.78 0 . 1 . . . A 56 ASP C . 17832 1 697 . 1 1 59 59 ASP CA C 13 51.525 0.14 . 1 . . . A 56 ASP CA . 17832 1 698 . 1 1 59 59 ASP CB C 13 38.46 0.07 . 1 . . . A 56 ASP CB . 17832 1 699 . 1 1 59 59 ASP N N 15 123.975 0.1 . 1 . . . A 56 ASP N . 17832 1 700 . 1 1 60 60 ASP H H 1 8.393 0.001 . 1 . . . A 57 ASP H . 17832 1 701 . 1 1 60 60 ASP HA H 1 4.563 0.008 . 1 . . . A 57 ASP HA . 17832 1 702 . 1 1 60 60 ASP HB2 H 1 2.636 0 . 2 . . . A 57 ASP HB2 . 17832 1 703 . 1 1 60 60 ASP HB3 H 1 2.636 0 . 2 . . . A 57 ASP HB3 . 17832 1 704 . 1 1 60 60 ASP C C 13 173.851 0 . 1 . . . A 57 ASP C . 17832 1 705 . 1 1 60 60 ASP CA C 13 51.586 0.029 . 1 . . . A 57 ASP CA . 17832 1 706 . 1 1 60 60 ASP CB C 13 38.468 0.021 . 1 . . . A 57 ASP CB . 17832 1 707 . 1 1 60 60 ASP N N 15 121.471 0.013 . 1 . . . A 57 ASP N . 17832 1 708 . 1 1 61 61 SER H H 1 8.331 0.007 . 1 . . . A 58 SER H . 17832 1 709 . 1 1 61 61 SER C C 13 172.389 0 . 1 . . . A 58 SER C . 17832 1 710 . 1 1 61 61 SER CA C 13 56.129 0.007 . 1 . . . A 58 SER CA . 17832 1 711 . 1 1 61 61 SER CB C 13 60.945 0.059 . 1 . . . A 58 SER CB . 17832 1 712 . 1 1 61 61 SER N N 15 116.207 0.115 . 1 . . . A 58 SER N . 17832 1 713 . 1 1 62 62 SER H H 1 8.334 0.005 . 1 . . . A 59 SER H . 17832 1 714 . 1 1 62 62 SER C C 13 171.778 0 . 1 . . . A 59 SER C . 17832 1 715 . 1 1 62 62 SER CA C 13 56.29 0.019 . 1 . . . A 59 SER CA . 17832 1 716 . 1 1 62 62 SER CB C 13 60.93 0.067 . 1 . . . A 59 SER CB . 17832 1 717 . 1 1 62 62 SER N N 15 117.805 0.036 . 1 . . . A 59 SER N . 17832 1 718 . 1 1 63 63 ASP H H 1 8.278 0.002 . 1 . . . A 60 ASP H . 17832 1 719 . 1 1 63 63 ASP HA H 1 4.512 0 . 1 . . . A 60 ASP HA . 17832 1 720 . 1 1 63 63 ASP C C 13 173.55 0 . 1 . . . A 60 ASP C . 17832 1 721 . 1 1 63 63 ASP CA C 13 51.916 0.008 . 1 . . . A 60 ASP CA . 17832 1 722 . 1 1 63 63 ASP CB C 13 38.264 0.044 . 1 . . . A 60 ASP CB . 17832 1 723 . 1 1 63 63 ASP N N 15 122.124 0.049 . 1 . . . A 60 ASP N . 17832 1 724 . 1 1 64 64 LEU H H 1 7.931 0.001 . 1 . . . A 61 LEU H . 17832 1 725 . 1 1 64 64 LEU HA H 1 4.223 0.008 . 1 . . . A 61 LEU HA . 17832 1 726 . 1 1 64 64 LEU HB2 H 1 1.561 0 . 2 . . . A 61 LEU HB2 . 17832 1 727 . 1 1 64 64 LEU HB3 H 1 1.519 0.001 . 2 . . . A 61 LEU HB3 . 17832 1 728 . 1 1 64 64 LEU HG H 1 1.537 0.005 . 1 . . . A 61 LEU HG . 17832 1 729 . 1 1 64 64 LEU HD11 H 1 0.855 0 . 2 . . . A 61 LEU HD11 . 17832 1 730 . 1 1 64 64 LEU HD12 H 1 0.855 0 . 2 . . . A 61 LEU HD12 . 17832 1 731 . 1 1 64 64 LEU HD13 H 1 0.855 0 . 2 . . . A 61 LEU HD13 . 17832 1 732 . 1 1 64 64 LEU HD21 H 1 0.792 0.001 . 2 . . . A 61 LEU HD21 . 17832 1 733 . 1 1 64 64 LEU HD22 H 1 0.792 0.001 . 2 . . . A 61 LEU HD22 . 17832 1 734 . 1 1 64 64 LEU HD23 H 1 0.792 0.001 . 2 . . . A 61 LEU HD23 . 17832 1 735 . 1 1 64 64 LEU C C 13 174.603 0 . 1 . . . A 61 LEU C . 17832 1 736 . 1 1 64 64 LEU CA C 13 52.64 0.108 . 1 . . . A 61 LEU CA . 17832 1 737 . 1 1 64 64 LEU CB C 13 39.502 0.027 . 1 . . . A 61 LEU CB . 17832 1 738 . 1 1 64 64 LEU CG C 13 24.266 0.091 . 1 . . . A 61 LEU CG . 17832 1 739 . 1 1 64 64 LEU CD1 C 13 22.175 0.034 . 2 . . . A 61 LEU CD1 . 17832 1 740 . 1 1 64 64 LEU CD2 C 13 20.759 0.018 . 2 . . . A 61 LEU CD2 . 17832 1 741 . 1 1 64 64 LEU N N 15 121.45 0.031 . 1 . . . A 61 LEU N . 17832 1 742 . 1 1 65 65 LEU H H 1 8.023 0.005 . 1 . . . A 62 LEU H . 17832 1 743 . 1 1 65 65 LEU HA H 1 4.273 0.002 . 1 . . . A 62 LEU HA . 17832 1 744 . 1 1 65 65 LEU HB2 H 1 1.596 0 . 2 . . . A 62 LEU HB2 . 17832 1 745 . 1 1 65 65 LEU HB3 H 1 1.517 0 . 2 . . . A 62 LEU HB3 . 17832 1 746 . 1 1 65 65 LEU C C 13 174.372 0 . 1 . . . A 62 LEU C . 17832 1 747 . 1 1 65 65 LEU CA C 13 52.339 0.075 . 1 . . . A 62 LEU CA . 17832 1 748 . 1 1 65 65 LEU CB C 13 39.426 0.03 . 1 . . . A 62 LEU CB . 17832 1 749 . 1 1 65 65 LEU CD1 C 13 22.091 0 . 2 . . . A 62 LEU CD1 . 17832 1 750 . 1 1 65 65 LEU CD2 C 13 20.783 0 . 2 . . . A 62 LEU CD2 . 17832 1 751 . 1 1 65 65 LEU N N 15 122.042 0.024 . 1 . . . A 62 LEU N . 17832 1 752 . 1 1 66 66 LYS H H 1 8.145 0.003 . 1 . . . A 63 LYS H . 17832 1 753 . 1 1 66 66 LYS HA H 1 4.349 0.003 . 1 . . . A 63 LYS HA . 17832 1 754 . 1 1 66 66 LYS C C 13 173.936 0 . 1 . . . A 63 LYS C . 17832 1 755 . 1 1 66 66 LYS CA C 13 53.305 0.021 . 1 . . . A 63 LYS CA . 17832 1 756 . 1 1 66 66 LYS CB C 13 30.305 0.006 . 1 . . . A 63 LYS CB . 17832 1 757 . 1 1 66 66 LYS CG C 13 21.923 0 . 1 . . . A 63 LYS CG . 17832 1 758 . 1 1 66 66 LYS CD C 13 26.299 0 . 1 . . . A 63 LYS CD . 17832 1 759 . 1 1 66 66 LYS N N 15 122.782 0.025 . 1 . . . A 63 LYS N . 17832 1 760 . 1 1 67 67 THR H H 1 8.196 0.005 . 1 . . . A 64 THR H . 17832 1 761 . 1 1 67 67 THR HA H 1 4.298 0.003 . 1 . . . A 64 THR HA . 17832 1 762 . 1 1 67 67 THR HB H 1 4.194 0.003 . 1 . . . A 64 THR HB . 17832 1 763 . 1 1 67 67 THR HG21 H 1 1.125 0.002 . 1 . . . A 64 THR HG21 . 17832 1 764 . 1 1 67 67 THR HG22 H 1 1.125 0.002 . 1 . . . A 64 THR HG22 . 17832 1 765 . 1 1 67 67 THR HG23 H 1 1.125 0.002 . 1 . . . A 64 THR HG23 . 17832 1 766 . 1 1 67 67 THR C C 13 171.473 0 . 1 . . . A 64 THR C . 17832 1 767 . 1 1 67 67 THR CA C 13 58.943 0.032 . 1 . . . A 64 THR CA . 17832 1 768 . 1 1 67 67 THR CB C 13 67.038 0.056 . 1 . . . A 64 THR CB . 17832 1 769 . 1 1 67 67 THR CG2 C 13 18.785 0.02 . 1 . . . A 64 THR CG2 . 17832 1 770 . 1 1 67 67 THR N N 15 115.478 0.03 . 1 . . . A 64 THR N . 17832 1 771 . 1 1 68 68 ASP H H 1 8.307 0.002 . 1 . . . A 65 ASP H . 17832 1 772 . 1 1 68 68 ASP C C 13 173.191 0 . 1 . . . A 65 ASP C . 17832 1 773 . 1 1 68 68 ASP CA C 13 51.628 0.025 . 1 . . . A 65 ASP CA . 17832 1 774 . 1 1 68 68 ASP CB C 13 38.495 0.015 . 1 . . . A 65 ASP CB . 17832 1 775 . 1 1 68 68 ASP N N 15 122.013 0.037 . 1 . . . A 65 ASP N . 17832 1 776 . 1 1 69 69 GLU H H 1 8.216 0.003 . 1 . . . A 66 GLU H . 17832 1 777 . 1 1 69 69 GLU HA H 1 4.235 0.002 . 1 . . . A 66 GLU HA . 17832 1 778 . 1 1 69 69 GLU HB2 H 1 1.994 0.005 . 2 . . . A 66 GLU HB2 . 17832 1 779 . 1 1 69 69 GLU HB3 H 1 1.994 0.005 . 2 . . . A 66 GLU HB3 . 17832 1 780 . 1 1 69 69 GLU HG2 H 1 2.199 0 . 2 . . . A 66 GLU HG2 . 17832 1 781 . 1 1 69 69 GLU HG3 H 1 2.148 0 . 2 . . . A 66 GLU HG3 . 17832 1 782 . 1 1 69 69 GLU C C 13 172.706 0 . 1 . . . A 66 GLU C . 17832 1 783 . 1 1 69 69 GLU CA C 13 53.881 0.083 . 1 . . . A 66 GLU CA . 17832 1 784 . 1 1 69 69 GLU CB C 13 27.731 0.028 . 1 . . . A 66 GLU CB . 17832 1 785 . 1 1 69 69 GLU CG C 13 33.662 0 . 1 . . . A 66 GLU CG . 17832 1 786 . 1 1 69 69 GLU N N 15 121.26 0.028 . 1 . . . A 66 GLU N . 17832 1 787 . 1 1 70 70 ILE H H 1 7.657 0.001 . 1 . . . A 67 ILE H . 17832 1 788 . 1 1 70 70 ILE HA H 1 3.993 0 . 1 . . . A 67 ILE HA . 17832 1 789 . 1 1 70 70 ILE HB H 1 1.751 0 . 1 . . . A 67 ILE HB . 17832 1 790 . 1 1 70 70 ILE HG12 H 1 1.339 0.001 . 1 . . . A 67 ILE HG12 . 17832 1 791 . 1 1 70 70 ILE HG13 H 1 1.067 0.001 . 1 . . . A 67 ILE HG13 . 17832 1 792 . 1 1 70 70 ILE HG21 H 1 0.812 0.001 . 1 . . . A 67 ILE HG21 . 17832 1 793 . 1 1 70 70 ILE HG22 H 1 0.812 0.001 . 1 . . . A 67 ILE HG22 . 17832 1 794 . 1 1 70 70 ILE HG23 H 1 0.812 0.001 . 1 . . . A 67 ILE HG23 . 17832 1 795 . 1 1 70 70 ILE HD11 H 1 0.792 0.001 . 1 . . . A 67 ILE HD11 . 17832 1 796 . 1 1 70 70 ILE HD12 H 1 0.792 0.001 . 1 . . . A 67 ILE HD12 . 17832 1 797 . 1 1 70 70 ILE HD13 H 1 0.792 0.001 . 1 . . . A 67 ILE HD13 . 17832 1 798 . 1 1 70 70 ILE CA C 13 60.179 0.026 . 1 . . . A 67 ILE CA . 17832 1 799 . 1 1 70 70 ILE CB C 13 36.869 0.017 . 1 . . . A 67 ILE CB . 17832 1 800 . 1 1 70 70 ILE CG1 C 13 24.537 0.03 . 1 . . . A 67 ILE CG1 . 17832 1 801 . 1 1 70 70 ILE CG2 C 13 15.281 0.041 . 1 . . . A 67 ILE CG2 . 17832 1 802 . 1 1 70 70 ILE CD1 C 13 10.743 0.066 . 1 . . . A 67 ILE CD1 . 17832 1 803 . 1 1 70 70 ILE N N 15 126.028 0.034 . 1 . . . A 67 ILE N . 17832 1 stop_ save_