data_6846 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6846 _Entry.Title ; NMR structural analysis of Nop10p from Saccharomyces cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-29 _Entry.Accession_date 2005-10-20 _Entry.Last_release_date 2005-12-28 _Entry.Original_release_date 2005-12-28 _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 T. Hamma . . . 6846 2 S. Reichow . . . 6846 3 G. Varani . . . 6846 4 A. Ferre-D'Amare . . . 6846 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6846 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 234 6846 '15N chemical shifts' 58 6846 '1H chemical shifts' 415 6846 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 . . 2005-12-28 2005-09-29 original author . 6846 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6845 'Nop10 from Methanocaldococcus jannaschii' 6846 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6846 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16286935 _Citation.Full_citation . _Citation.Title 'The Cbf5-Nop10 complex is a molecular bracket that organizes box H/ACA RNPs' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 12 _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 1101 _Citation.Page_last 1107 _Citation.Year 2005 _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 T. Hamma . . . 6846 1 2 S. Reichow . L. . 6846 1 3 G. Varani . . . 6846 1 4 A. Ferre-D'Amare . R. . 6846 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID aNop10 6846 1 Zinc-Ribbon 6846 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 6846 _Assembly.ID 1 _Assembly.Name 'H/ACA ribonucleoprotein complex subunit 3' _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 'not present' _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 6846 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 'H/ACA ribonucleoprotein complex subunit 3' 1 $Nop10 . . . native . . . . . 6846 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2AQA . . . . . . 6846 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'H/ACA ribonucleoprotein complex subunit 3' abbreviation 6846 1 'H/ACA ribonucleoprotein complex subunit 3' system 6846 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nop10 _Entity.Sf_category entity _Entity.Sf_framecode Nop10 _Entity.Entry_ID 6846 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'H/ACA ribonucleoprotein complex subunit 3' _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 ; HLMYTLGPDGKRIYTLKKVT ESGEITKSAHPARFSPDDKY SRQRVTLKKRFGLVPGQHHH HHH ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 1Y2Y . "Structural Characterization Of Nop10p Using Nuclear Magnetic Resonance Spectroscopy" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 2 no PDB 2AQA . "Nmr Structural Analysis Of Nop10p From Saccharomyces Cerevisiae" . . . . . 100.00 63 100.00 100.00 4.45e-37 . . . . 6846 1 3 no PDB 3U28 . "Crystal Structure Of A Cbf5-Nop10-Gar1 Complex From Saccharomyces Cerevisiae" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 4 no PDB 3UAI . "Structure Of The Shq1-cbf5-nop10-gar1 Complex From Saccharomyces Cerevisiae" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 5 no DBJ GAA23788 . "K7_Nop10p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 6 no EMBL CAY80079 . "Nop10p [Saccharomyces cerevisiae EC1118]" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 7 no GB AAS56874 . "YHR072W-A [Saccharomyces cerevisiae]" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 8 no GB AHY77771 . "Nop10p [Saccharomyces cerevisiae YJM993]" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 9 no GB EDN62310 . "H/ACA-box snoRNPs component [Saccharomyces cerevisiae YJM789]" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 10 no GB EDV09121 . "H/ACA-box snoRNPs component [Saccharomyces cerevisiae RM11-1a]" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 11 no GB EEU04743 . "Nop10p [Saccharomyces cerevisiae JAY291]" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 12 no PIR S78745 . "protein YHR072w-a - yeast (Saccharomyces cerevisiae)" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 13 no REF NP_058135 . "Nop10p [Saccharomyces cerevisiae S288c]" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 14 no REF XP_011103755 . "nop10p [Saccharomyces arboricola H-6]" . . . . . 90.48 58 98.25 98.25 3.28e-32 . . . . 6846 1 15 no SP Q6Q547 . "RecName: Full=H/ACA ribonucleoprotein complex subunit 3; AltName: Full=Nucleolar protein 10; AltName: Full=Nucleolar protein fa" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 16 no TPG DAA06766 . "TPA: Nop10p [Saccharomyces cerevisiae S288c]" . . . . . 90.48 58 100.00 100.00 8.64e-33 . . . . 6846 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'H/ACA ribonucleoprotein complex subunit 3' abbreviation 6846 1 'H/ACA ribonucleoprotein complex subunit 3' common 6846 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 HIS . 6846 1 2 3 LEU . 6846 1 3 4 MET . 6846 1 4 5 TYR . 6846 1 5 6 THR . 6846 1 6 7 LEU . 6846 1 7 8 GLY . 6846 1 8 9 PRO . 6846 1 9 10 ASP . 6846 1 10 11 GLY . 6846 1 11 12 LYS . 6846 1 12 13 ARG . 6846 1 13 14 ILE . 6846 1 14 15 TYR . 6846 1 15 16 THR . 6846 1 16 17 LEU . 6846 1 17 18 LYS . 6846 1 18 19 LYS . 6846 1 19 20 VAL . 6846 1 20 21 THR . 6846 1 21 22 GLU . 6846 1 22 23 SER . 6846 1 23 24 GLY . 6846 1 24 25 GLU . 6846 1 25 26 ILE . 6846 1 26 27 THR . 6846 1 27 28 LYS . 6846 1 28 29 SER . 6846 1 29 30 ALA . 6846 1 30 31 HIS . 6846 1 31 32 PRO . 6846 1 32 33 ALA . 6846 1 33 34 ARG . 6846 1 34 35 PHE . 6846 1 35 36 SER . 6846 1 36 37 PRO . 6846 1 37 38 ASP . 6846 1 38 39 ASP . 6846 1 39 40 LYS . 6846 1 40 41 TYR . 6846 1 41 42 SER . 6846 1 42 43 ARG . 6846 1 43 44 GLN . 6846 1 44 45 ARG . 6846 1 45 46 VAL . 6846 1 46 47 THR . 6846 1 47 48 LEU . 6846 1 48 49 LYS . 6846 1 49 50 LYS . 6846 1 50 51 ARG . 6846 1 51 52 PHE . 6846 1 52 53 GLY . 6846 1 53 54 LEU . 6846 1 54 55 VAL . 6846 1 55 56 PRO . 6846 1 56 57 GLY . 6846 1 57 58 GLN . 6846 1 58 59 HIS . 6846 1 59 60 HIS . 6846 1 60 61 HIS . 6846 1 61 62 HIS . 6846 1 62 63 HIS . 6846 1 63 64 HIS . 6846 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 . HIS 1 1 6846 1 . LEU 2 2 6846 1 . MET 3 3 6846 1 . TYR 4 4 6846 1 . THR 5 5 6846 1 . LEU 6 6 6846 1 . GLY 7 7 6846 1 . PRO 8 8 6846 1 . ASP 9 9 6846 1 . GLY 10 10 6846 1 . LYS 11 11 6846 1 . ARG 12 12 6846 1 . ILE 13 13 6846 1 . TYR 14 14 6846 1 . THR 15 15 6846 1 . LEU 16 16 6846 1 . LYS 17 17 6846 1 . LYS 18 18 6846 1 . VAL 19 19 6846 1 . THR 20 20 6846 1 . GLU 21 21 6846 1 . SER 22 22 6846 1 . GLY 23 23 6846 1 . GLU 24 24 6846 1 . ILE 25 25 6846 1 . THR 26 26 6846 1 . LYS 27 27 6846 1 . SER 28 28 6846 1 . ALA 29 29 6846 1 . HIS 30 30 6846 1 . PRO 31 31 6846 1 . ALA 32 32 6846 1 . ARG 33 33 6846 1 . PHE 34 34 6846 1 . SER 35 35 6846 1 . PRO 36 36 6846 1 . ASP 37 37 6846 1 . ASP 38 38 6846 1 . LYS 39 39 6846 1 . TYR 40 40 6846 1 . SER 41 41 6846 1 . ARG 42 42 6846 1 . GLN 43 43 6846 1 . ARG 44 44 6846 1 . VAL 45 45 6846 1 . THR 46 46 6846 1 . LEU 47 47 6846 1 . LYS 48 48 6846 1 . LYS 49 49 6846 1 . ARG 50 50 6846 1 . PHE 51 51 6846 1 . GLY 52 52 6846 1 . LEU 53 53 6846 1 . VAL 54 54 6846 1 . PRO 55 55 6846 1 . GLY 56 56 6846 1 . GLN 57 57 6846 1 . HIS 58 58 6846 1 . HIS 59 59 6846 1 . HIS 60 60 6846 1 . HIS 61 61 6846 1 . HIS 62 62 6846 1 . HIS 63 63 6846 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 6846 _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 $Nop10 . 4932 . . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota . Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6846 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 6846 _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 $Nop10 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6846 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6846 _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 'H/ACA ribonucleoprotein complex subunit 3' . . . 1 $Nop10 . . 1 . . mM . . . . 6846 1 2 'Sodium Acetate' . . . . . . . 50 . . mM . . . . 6846 1 3 KCl . . . . . . . 100 . . mM . . . . 6846 1 4 H2O . . . . . . . 90 . . % . . . . 6846 1 5 D2O . . . . . . . 10 . . % . . . . 6846 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6846 _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 'H/ACA ribonucleoprotein complex subunit 3' . . . 1 $Nop10 . . 1 . . mM . . . . 6846 2 2 'Sodium Acetate' . . . . . . . 50 . . mM . . . . 6846 2 3 KCl . . . . . . . 100 . . mM . . . . 6846 2 4 D2O . . . . . . . 100 . . % . . . . 6846 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6846 _Sample.ID 3 _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 'H/ACA ribonucleoprotein complex subunit 3' [U-15N] . . 1 $Nop10 . . 1 . . mM . . . . 6846 3 2 'Sodium Acetate' . . . . . . . 50 . . mM . . . . 6846 3 3 KCl . . . . . . . 100 . . mM . . . . 6846 3 4 H2O . . . . . . . 90 . . % . . . . 6846 3 5 D2O . . . . . . . 10 . . % . . . . 6846 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6846 _Sample.ID 4 _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 'H/ACA ribonucleoprotein complex subunit 3' '[U-13C; U-15N]' . . 1 $Nop10 . . 1 . . mM . . . . 6846 4 2 'Sodium Acetate' . . . . . . . 50 . . mM . . . . 6846 4 3 KCl . . . . . . . 100 . . mM . . . . 6846 4 4 H2O . . . . . . . 90 . . % . . . . 6846 4 5 D2O . . . . . . . 10 . . % . . . . 6846 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6846 _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' 100 . mM 6846 1 pH 5.0 . pH 6846 1 pressure 1 . atm 6846 1 temperature 298 . K 6846 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6846 _Software.ID 1 _Software.Name CYANA _Software.Version 'v. 2.0' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 6846 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6846 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6846 _Software.ID 2 _Software.Name NMRPipe _Software.Version 'v. 2.3' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 6846 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6846 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6846 _Software.ID 3 _Software.Name SPARKY _Software.Version 'v. 3.110' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Goddard. T.D.' . . 6846 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6846 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 6846 _Software.ID 4 _Software.Name TALOS _Software.Version 'v. 2003.027.13.05' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, G.' . . 6846 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6846 4 stop_ 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 6846 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6846 _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 Varian INOVA . 800 . . . 6846 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 6846 _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 NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6846 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6846 1 3 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6846 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 6846 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6846 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated 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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6846 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 13C-separated 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_ #################### # 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 6846 _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 . . . . . . . . . 6846 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 6846 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6846 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6846 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 . 6846 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 HIS H H 1 8.285 0.000 . 1 . . . . 2 . . . 6846 1 2 . 1 1 1 1 HIS HA H 1 4.805 0.000 . 1 . . . . 2 . . . 6846 1 3 . 1 1 1 1 HIS CB C 13 29.560 0.040 . 1 . . . . 2 . . . 6846 1 4 . 1 1 1 1 HIS HB2 H 1 3.212 0.013 . 1 . . . . 2 . . . 6846 1 5 . 1 1 1 1 HIS HB3 H 1 3.212 0.013 . 1 . . . . 2 . . . 6846 1 6 . 1 1 1 1 HIS C C 13 174.715 0.000 . 1 . . . . 2 . . . 6846 1 7 . 1 1 2 2 LEU N N 15 124.873 0.021 . 1 . . . . 3 . . . 6846 1 8 . 1 1 2 2 LEU H H 1 8.481 0.004 . 1 . . . . 3 . . . 6846 1 9 . 1 1 2 2 LEU CA C 13 55.041 0.083 . 1 . . . . 3 . . . 6846 1 10 . 1 1 2 2 LEU HA H 1 4.423 0.006 . 1 . . . . 3 . . . 6846 1 11 . 1 1 2 2 LEU CB C 13 42.816 0.143 . 1 . . . . 3 . . . 6846 1 12 . 1 1 2 2 LEU HB2 H 1 1.615 0.006 . 2 . . . . 3 . . . 6846 1 13 . 1 1 2 2 LEU HB3 H 1 1.429 0.009 . 2 . . . . 3 . . . 6846 1 14 . 1 1 2 2 LEU CG C 13 27.209 0.041 . 1 . . . . 3 . . . 6846 1 15 . 1 1 2 2 LEU HG H 1 1.608 0.008 . 1 . . . . 3 . . . 6846 1 16 . 1 1 2 2 LEU HD11 H 1 0.866 0.002 . 2 . . . . 3 . . . 6846 1 17 . 1 1 2 2 LEU HD12 H 1 0.866 0.002 . 2 . . . . 3 . . . 6846 1 18 . 1 1 2 2 LEU HD13 H 1 0.866 0.002 . 2 . . . . 3 . . . 6846 1 19 . 1 1 2 2 LEU HD21 H 1 0.847 0.008 . 2 . . . . 3 . . . 6846 1 20 . 1 1 2 2 LEU HD22 H 1 0.847 0.008 . 2 . . . . 3 . . . 6846 1 21 . 1 1 2 2 LEU HD23 H 1 0.847 0.008 . 2 . . . . 3 . . . 6846 1 22 . 1 1 2 2 LEU CD1 C 13 25.010 0.040 . 1 . . . . 3 . . . 6846 1 23 . 1 1 2 2 LEU CD2 C 13 23.663 0.078 . 1 . . . . 3 . . . 6846 1 24 . 1 1 2 2 LEU C C 13 178.146 0.000 . 1 . . . . 3 . . . 6846 1 25 . 1 1 3 3 MET N N 15 121.427 0.039 . 1 . . . . 4 . . . 6846 1 26 . 1 1 3 3 MET H H 1 8.590 0.023 . 1 . . . . 4 . . . 6846 1 27 . 1 1 3 3 MET CA C 13 55.150 0.093 . 1 . . . . 4 . . . 6846 1 28 . 1 1 3 3 MET HA H 1 4.552 0.006 . 1 . . . . 4 . . . 6846 1 29 . 1 1 3 3 MET CB C 13 33.317 0.059 . 1 . . . . 4 . . . 6846 1 30 . 1 1 3 3 MET HB2 H 1 2.112 0.007 . 2 . . . . 4 . . . 6846 1 31 . 1 1 3 3 MET HB3 H 1 2.032 0.010 . 2 . . . . 4 . . . 6846 1 32 . 1 1 3 3 MET CG C 13 32.228 0.030 . 1 . . . . 4 . . . 6846 1 33 . 1 1 3 3 MET HG2 H 1 2.594 0.007 . 2 . . . . 4 . . . 6846 1 34 . 1 1 3 3 MET HG3 H 1 2.522 0.011 . 2 . . . . 4 . . . 6846 1 35 . 1 1 3 3 MET HE1 H 1 2.090 0.004 . 1 . . . . 4 . . . 6846 1 36 . 1 1 3 3 MET HE2 H 1 2.090 0.004 . 1 . . . . 4 . . . 6846 1 37 . 1 1 3 3 MET HE3 H 1 2.090 0.004 . 1 . . . . 4 . . . 6846 1 38 . 1 1 3 3 MET CE C 13 17.063 0.000 . 1 . . . . 4 . . . 6846 1 39 . 1 1 3 3 MET C C 13 176.101 0.000 . 1 . . . . 4 . . . 6846 1 40 . 1 1 4 4 TYR N N 15 117.264 0.030 . 1 . . . . 5 . . . 6846 1 41 . 1 1 4 4 TYR H H 1 7.621 0.003 . 1 . . . . 5 . . . 6846 1 42 . 1 1 4 4 TYR CA C 13 56.243 0.060 . 1 . . . . 5 . . . 6846 1 43 . 1 1 4 4 TYR HA H 1 5.086 0.013 . 1 . . . . 5 . . . 6846 1 44 . 1 1 4 4 TYR CB C 13 39.900 0.061 . 1 . . . . 5 . . . 6846 1 45 . 1 1 4 4 TYR HB2 H 1 2.558 0.015 . 1 . . . . 5 . . . 6846 1 46 . 1 1 4 4 TYR HB3 H 1 2.558 0.015 . 1 . . . . 5 . . . 6846 1 47 . 1 1 4 4 TYR HD1 H 1 6.793 0.012 . 1 . . . . 5 . . . 6846 1 48 . 1 1 4 4 TYR HE1 H 1 6.730 0.003 . 1 . . . . 5 . . . 6846 1 49 . 1 1 4 4 TYR HE2 H 1 6.730 0.003 . 1 . . . . 5 . . . 6846 1 50 . 1 1 4 4 TYR HD2 H 1 6.793 0.012 . 1 . . . . 5 . . . 6846 1 51 . 1 1 4 4 TYR C C 13 175.859 0.000 . 1 . . . . 5 . . . 6846 1 52 . 1 1 5 5 THR N N 15 114.057 0.033 . 1 . . . . 6 . . . 6846 1 53 . 1 1 5 5 THR H H 1 8.469 0.006 . 1 . . . . 6 . . . 6846 1 54 . 1 1 5 5 THR CA C 13 60.780 0.067 . 1 . . . . 6 . . . 6846 1 55 . 1 1 5 5 THR HA H 1 4.452 0.005 . 1 . . . . 6 . . . 6846 1 56 . 1 1 5 5 THR CB C 13 70.804 0.114 . 1 . . . . 6 . . . 6846 1 57 . 1 1 5 5 THR HB H 1 4.125 0.004 . 1 . . . . 6 . . . 6846 1 58 . 1 1 5 5 THR HG21 H 1 1.141 0.008 . 1 . . . . 6 . . . 6846 1 59 . 1 1 5 5 THR HG22 H 1 1.141 0.008 . 1 . . . . 6 . . . 6846 1 60 . 1 1 5 5 THR HG23 H 1 1.141 0.008 . 1 . . . . 6 . . . 6846 1 61 . 1 1 5 5 THR CG2 C 13 21.657 0.089 . 1 . . . . 6 . . . 6846 1 62 . 1 1 5 5 THR C C 13 174.314 0.000 . 1 . . . . 6 . . . 6846 1 63 . 1 1 6 6 LEU N N 15 123.265 0.049 . 1 . . . . 7 . . . 6846 1 64 . 1 1 6 6 LEU H H 1 8.464 0.003 . 1 . . . . 7 . . . 6846 1 65 . 1 1 6 6 LEU CA C 13 54.216 0.079 . 1 . . . . 7 . . . 6846 1 66 . 1 1 6 6 LEU HA H 1 4.831 0.008 . 1 . . . . 7 . . . 6846 1 67 . 1 1 6 6 LEU CB C 13 43.275 0.140 . 1 . . . . 7 . . . 6846 1 68 . 1 1 6 6 LEU HB2 H 1 1.714 0.010 . 2 . . . . 7 . . . 6846 1 69 . 1 1 6 6 LEU HB3 H 1 1.447 0.007 . 2 . . . . 7 . . . 6846 1 70 . 1 1 6 6 LEU CG C 13 27.033 0.094 . 1 . . . . 7 . . . 6846 1 71 . 1 1 6 6 LEU HG H 1 1.690 0.008 . 1 . . . . 7 . . . 6846 1 72 . 1 1 6 6 LEU HD11 H 1 0.912 0.009 . 2 . . . . 7 . . . 6846 1 73 . 1 1 6 6 LEU HD12 H 1 0.912 0.009 . 2 . . . . 7 . . . 6846 1 74 . 1 1 6 6 LEU HD13 H 1 0.912 0.009 . 2 . . . . 7 . . . 6846 1 75 . 1 1 6 6 LEU HD21 H 1 0.825 0.006 . 2 . . . . 7 . . . 6846 1 76 . 1 1 6 6 LEU HD22 H 1 0.825 0.006 . 2 . . . . 7 . . . 6846 1 77 . 1 1 6 6 LEU HD23 H 1 0.825 0.006 . 2 . . . . 7 . . . 6846 1 78 . 1 1 6 6 LEU CD1 C 13 24.900 0.029 . 1 . . . . 7 . . . 6846 1 79 . 1 1 6 6 LEU CD2 C 13 23.691 0.082 . 1 . . . . 7 . . . 6846 1 80 . 1 1 6 6 LEU C C 13 179.189 0.000 . 1 . . . . 7 . . . 6846 1 81 . 1 1 7 7 GLY N N 15 110.900 0.031 . 1 . . . . 8 . . . 6846 1 82 . 1 1 7 7 GLY H H 1 8.782 0.005 . 1 . . . . 8 . . . 6846 1 83 . 1 1 7 7 GLY CA C 13 44.425 0.076 . 1 . . . . 8 . . . 6846 1 84 . 1 1 7 7 GLY HA2 H 1 4.097 0.006 . 2 . . . . 8 . . . 6846 1 85 . 1 1 7 7 GLY HA3 H 1 4.413 0.007 . 2 . . . . 8 . . . 6846 1 86 . 1 1 8 8 PRO CD C 13 49.753 0.076 . 1 . . . . 9 . . . 6846 1 87 . 1 1 8 8 PRO CA C 13 64.332 0.110 . 1 . . . . 9 . . . 6846 1 88 . 1 1 8 8 PRO HA H 1 4.402 0.006 . 1 . . . . 9 . . . 6846 1 89 . 1 1 8 8 PRO CB C 13 31.817 0.120 . 1 . . . . 9 . . . 6846 1 90 . 1 1 8 8 PRO HB2 H 1 2.351 0.008 . 2 . . . . 9 . . . 6846 1 91 . 1 1 8 8 PRO HB3 H 1 1.998 0.006 . 2 . . . . 9 . . . 6846 1 92 . 1 1 8 8 PRO CG C 13 27.108 0.082 . 1 . . . . 9 . . . 6846 1 93 . 1 1 8 8 PRO HG2 H 1 2.056 0.014 . 1 . . . . 9 . . . 6846 1 94 . 1 1 8 8 PRO HG3 H 1 2.056 0.014 . 1 . . . . 9 . . . 6846 1 95 . 1 1 8 8 PRO HD2 H 1 3.708 0.010 . 1 . . . . 9 . . . 6846 1 96 . 1 1 8 8 PRO HD3 H 1 3.708 0.010 . 1 . . . . 9 . . . 6846 1 97 . 1 1 8 8 PRO C C 13 177.741 0.000 . 1 . . . . 9 . . . 6846 1 98 . 1 1 9 9 ASP N N 15 116.327 0.077 . 1 . . . . 10 . . . 6846 1 99 . 1 1 9 9 ASP H H 1 8.229 0.005 . 1 . . . . 10 . . . 6846 1 100 . 1 1 9 9 ASP CA C 13 53.214 0.062 . 1 . . . . 10 . . . 6846 1 101 . 1 1 9 9 ASP HA H 1 4.564 0.004 . 1 . . . . 10 . . . 6846 1 102 . 1 1 9 9 ASP CB C 13 40.276 0.114 . 1 . . . . 10 . . . 6846 1 103 . 1 1 9 9 ASP HB2 H 1 2.915 0.006 . 2 . . . . 10 . . . 6846 1 104 . 1 1 9 9 ASP HB3 H 1 2.700 0.003 . 2 . . . . 10 . . . 6846 1 105 . 1 1 9 9 ASP C C 13 178.077 0.000 . 1 . . . . 10 . . . 6846 1 106 . 1 1 10 10 GLY N N 15 107.864 0.043 . 1 . . . . 11 . . . 6846 1 107 . 1 1 10 10 GLY H H 1 8.220 0.005 . 1 . . . . 11 . . . 6846 1 108 . 1 1 10 10 GLY CA C 13 45.693 0.092 . 1 . . . . 11 . . . 6846 1 109 . 1 1 10 10 GLY HA2 H 1 3.656 0.008 . 2 . . . . 11 . . . 6846 1 110 . 1 1 10 10 GLY HA3 H 1 4.145 0.006 . 2 . . . . 11 . . . 6846 1 111 . 1 1 10 10 GLY C C 13 174.866 0.000 . 1 . . . . 11 . . . 6846 1 112 . 1 1 11 11 LYS N N 15 119.839 0.037 . 1 . . . . 12 . . . 6846 1 113 . 1 1 11 11 LYS H H 1 7.612 0.005 . 1 . . . . 12 . . . 6846 1 114 . 1 1 11 11 LYS CA C 13 55.686 0.079 . 1 . . . . 12 . . . 6846 1 115 . 1 1 11 11 LYS HA H 1 4.355 0.008 . 1 . . . . 12 . . . 6846 1 116 . 1 1 11 11 LYS CB C 13 33.237 0.012 . 1 . . . . 12 . . . 6846 1 117 . 1 1 11 11 LYS HB2 H 1 1.790 0.007 . 1 . . . . 12 . . . 6846 1 118 . 1 1 11 11 LYS HB3 H 1 1.790 0.007 . 1 . . . . 12 . . . 6846 1 119 . 1 1 11 11 LYS CG C 13 25.403 0.077 . 1 . . . . 12 . . . 6846 1 120 . 1 1 11 11 LYS HG2 H 1 1.336 0.011 . 1 . . . . 12 . . . 6846 1 121 . 1 1 11 11 LYS HG3 H 1 1.336 0.011 . 1 . . . . 12 . . . 6846 1 122 . 1 1 11 11 LYS CD C 13 29.201 0.039 . 1 . . . . 12 . . . 6846 1 123 . 1 1 11 11 LYS HD2 H 1 1.678 0.004 . 1 . . . . 12 . . . 6846 1 124 . 1 1 11 11 LYS HD3 H 1 1.678 0.004 . 1 . . . . 12 . . . 6846 1 125 . 1 1 11 11 LYS CE C 13 42.023 0.098 . 1 . . . . 12 . . . 6846 1 126 . 1 1 11 11 LYS HE2 H 1 2.987 0.003 . 1 . . . . 12 . . . 6846 1 127 . 1 1 11 11 LYS HE3 H 1 2.987 0.003 . 1 . . . . 12 . . . 6846 1 128 . 1 1 11 11 LYS C C 13 177.679 0.000 . 1 . . . . 12 . . . 6846 1 129 . 1 1 12 12 ARG N N 15 122.316 0.033 . 1 . . . . 13 . . . 6846 1 130 . 1 1 12 12 ARG H H 1 8.493 0.004 . 1 . . . . 13 . . . 6846 1 131 . 1 1 12 12 ARG CA C 13 56.896 0.062 . 1 . . . . 13 . . . 6846 1 132 . 1 1 12 12 ARG HA H 1 4.367 0.005 . 1 . . . . 13 . . . 6846 1 133 . 1 1 12 12 ARG CB C 13 31.099 0.092 . 1 . . . . 13 . . . 6846 1 134 . 1 1 12 12 ARG HB2 H 1 1.563 0.008 . 2 . . . . 13 . . . 6846 1 135 . 1 1 12 12 ARG HB3 H 1 1.107 0.015 . 2 . . . . 13 . . . 6846 1 136 . 1 1 12 12 ARG CG C 13 27.501 0.109 . 1 . . . . 13 . . . 6846 1 137 . 1 1 12 12 ARG HG2 H 1 1.544 0.007 . 2 . . . . 13 . . . 6846 1 138 . 1 1 12 12 ARG HG3 H 1 1.066 0.010 . 2 . . . . 13 . . . 6846 1 139 . 1 1 12 12 ARG CD C 13 43.412 0.114 . 1 . . . . 13 . . . 6846 1 140 . 1 1 12 12 ARG HD2 H 1 2.729 0.006 . 2 . . . . 13 . . . 6846 1 141 . 1 1 12 12 ARG HD3 H 1 2.205 0.010 . 2 . . . . 13 . . . 6846 1 142 . 1 1 12 12 ARG NE N 15 120.968 0.026 . 1 . . . . 13 . . . 6846 1 143 . 1 1 12 12 ARG HE H 1 6.861 0.003 . 1 . . . . 13 . . . 6846 1 144 . 1 1 12 12 ARG C C 13 177.146 0.000 . 1 . . . . 13 . . . 6846 1 145 . 1 1 13 13 ILE N N 15 123.826 0.031 . 1 . . . . 14 . . . 6846 1 146 . 1 1 13 13 ILE H H 1 8.739 0.007 . 1 . . . . 14 . . . 6846 1 147 . 1 1 13 13 ILE CA C 13 60.569 0.095 . 1 . . . . 14 . . . 6846 1 148 . 1 1 13 13 ILE HA H 1 4.245 0.005 . 1 . . . . 14 . . . 6846 1 149 . 1 1 13 13 ILE CB C 13 38.994 0.116 . 1 . . . . 14 . . . 6846 1 150 . 1 1 13 13 ILE HB H 1 1.795 0.005 . 1 . . . . 14 . . . 6846 1 151 . 1 1 13 13 ILE HG21 H 1 0.830 0.006 . 1 . . . . 14 . . . 6846 1 152 . 1 1 13 13 ILE HG22 H 1 0.830 0.006 . 1 . . . . 14 . . . 6846 1 153 . 1 1 13 13 ILE HG23 H 1 0.830 0.006 . 1 . . . . 14 . . . 6846 1 154 . 1 1 13 13 ILE CG2 C 13 17.628 0.104 . 1 . . . . 14 . . . 6846 1 155 . 1 1 13 13 ILE CG1 C 13 26.965 0.105 . 1 . . . . 14 . . . 6846 1 156 . 1 1 13 13 ILE HG12 H 1 1.432 0.009 . 2 . . . . 14 . . . 6846 1 157 . 1 1 13 13 ILE HG13 H 1 1.025 0.011 . 2 . . . . 14 . . . 6846 1 158 . 1 1 13 13 ILE HD11 H 1 0.797 0.007 . 1 . . . . 14 . . . 6846 1 159 . 1 1 13 13 ILE HD12 H 1 0.797 0.007 . 1 . . . . 14 . . . 6846 1 160 . 1 1 13 13 ILE HD13 H 1 0.797 0.007 . 1 . . . . 14 . . . 6846 1 161 . 1 1 13 13 ILE CD1 C 13 13.235 0.095 . 1 . . . . 14 . . . 6846 1 162 . 1 1 13 13 ILE C C 13 177.229 0.000 . 1 . . . . 14 . . . 6846 1 163 . 1 1 14 14 TYR N N 15 126.441 0.048 . 1 . . . . 15 . . . 6846 1 164 . 1 1 14 14 TYR H H 1 8.744 0.006 . 1 . . . . 15 . . . 6846 1 165 . 1 1 14 14 TYR CA C 13 58.441 0.116 . 1 . . . . 15 . . . 6846 1 166 . 1 1 14 14 TYR HA H 1 4.812 0.014 . 1 . . . . 15 . . . 6846 1 167 . 1 1 14 14 TYR CB C 13 39.237 0.083 . 1 . . . . 15 . . . 6846 1 168 . 1 1 14 14 TYR HB2 H 1 3.082 0.007 . 2 . . . . 15 . . . 6846 1 169 . 1 1 14 14 TYR HB3 H 1 2.867 0.008 . 2 . . . . 15 . . . 6846 1 170 . 1 1 14 14 TYR HD1 H 1 7.160 0.008 . 1 . . . . 15 . . . 6846 1 171 . 1 1 14 14 TYR HE1 H 1 6.748 0.008 . 1 . . . . 15 . . . 6846 1 172 . 1 1 14 14 TYR HE2 H 1 6.748 0.008 . 1 . . . . 15 . . . 6846 1 173 . 1 1 14 14 TYR HD2 H 1 7.160 0.008 . 1 . . . . 15 . . . 6846 1 174 . 1 1 14 14 TYR C C 13 177.347 0.000 . 1 . . . . 15 . . . 6846 1 175 . 1 1 15 15 THR N N 15 116.761 0.031 . 1 . . . . 16 . . . 6846 1 176 . 1 1 15 15 THR H H 1 8.304 0.005 . 1 . . . . 16 . . . 6846 1 177 . 1 1 15 15 THR CA C 13 61.774 0.020 . 1 . . . . 16 . . . 6846 1 178 . 1 1 15 15 THR HA H 1 4.356 0.007 . 1 . . . . 16 . . . 6846 1 179 . 1 1 15 15 THR CB C 13 69.997 0.129 . 1 . . . . 16 . . . 6846 1 180 . 1 1 15 15 THR HB H 1 4.135 0.007 . 1 . . . . 16 . . . 6846 1 181 . 1 1 15 15 THR HG21 H 1 1.183 0.008 . 1 . . . . 16 . . . 6846 1 182 . 1 1 15 15 THR HG22 H 1 1.183 0.008 . 1 . . . . 16 . . . 6846 1 183 . 1 1 15 15 THR HG23 H 1 1.183 0.008 . 1 . . . . 16 . . . 6846 1 184 . 1 1 15 15 THR CG2 C 13 21.743 0.008 . 1 . . . . 16 . . . 6846 1 185 . 1 1 15 15 THR C C 13 174.956 0.000 . 1 . . . . 16 . . . 6846 1 186 . 1 1 16 16 LEU N N 15 125.160 0.038 . 1 . . . . 17 . . . 6846 1 187 . 1 1 16 16 LEU H H 1 8.314 0.002 . 1 . . . . 17 . . . 6846 1 188 . 1 1 16 16 LEU CA C 13 55.068 0.013 . 1 . . . . 17 . . . 6846 1 189 . 1 1 16 16 LEU HA H 1 4.390 0.012 . 1 . . . . 17 . . . 6846 1 190 . 1 1 16 16 LEU CB C 13 42.557 0.039 . 1 . . . . 17 . . . 6846 1 191 . 1 1 16 16 LEU HB2 H 1 1.622 0.006 . 1 . . . . 17 . . . 6846 1 192 . 1 1 16 16 LEU HB3 H 1 1.622 0.006 . 1 . . . . 17 . . . 6846 1 193 . 1 1 16 16 LEU CG C 13 26.987 0.080 . 1 . . . . 17 . . . 6846 1 194 . 1 1 16 16 LEU HG H 1 1.614 0.003 . 1 . . . . 17 . . . 6846 1 195 . 1 1 16 16 LEU HD11 H 1 0.936 0.008 . 2 . . . . 17 . . . 6846 1 196 . 1 1 16 16 LEU HD12 H 1 0.936 0.008 . 2 . . . . 17 . . . 6846 1 197 . 1 1 16 16 LEU HD13 H 1 0.936 0.008 . 2 . . . . 17 . . . 6846 1 198 . 1 1 16 16 LEU HD21 H 1 0.888 0.006 . 2 . . . . 17 . . . 6846 1 199 . 1 1 16 16 LEU HD22 H 1 0.888 0.006 . 2 . . . . 17 . . . 6846 1 200 . 1 1 16 16 LEU HD23 H 1 0.888 0.006 . 2 . . . . 17 . . . 6846 1 201 . 1 1 16 16 LEU CD1 C 13 25.142 0.033 . 1 . . . . 17 . . . 6846 1 202 . 1 1 16 16 LEU CD2 C 13 23.916 0.097 . 1 . . . . 17 . . . 6846 1 203 . 1 1 16 16 LEU C C 13 177.813 0.000 . 1 . . . . 17 . . . 6846 1 204 . 1 1 17 17 LYS N N 15 122.920 0.085 . 1 . . . . 18 . . . 6846 1 205 . 1 1 17 17 LYS H H 1 8.290 0.004 . 1 . . . . 18 . . . 6846 1 206 . 1 1 17 17 LYS CA C 13 56.182 0.010 . 1 . . . . 18 . . . 6846 1 207 . 1 1 17 17 LYS HA H 1 4.326 0.005 . 1 . . . . 18 . . . 6846 1 208 . 1 1 17 17 LYS CB C 13 33.353 0.034 . 1 . . . . 18 . . . 6846 1 209 . 1 1 17 17 LYS HB2 H 1 1.765 0.010 . 1 . . . . 18 . . . 6846 1 210 . 1 1 17 17 LYS HB3 H 1 1.765 0.010 . 1 . . . . 18 . . . 6846 1 211 . 1 1 17 17 LYS CG C 13 24.919 0.038 . 1 . . . . 18 . . . 6846 1 212 . 1 1 17 17 LYS HG2 H 1 1.421 0.005 . 1 . . . . 18 . . . 6846 1 213 . 1 1 17 17 LYS HG3 H 1 1.421 0.005 . 1 . . . . 18 . . . 6846 1 214 . 1 1 17 17 LYS CD C 13 29.313 0.029 . 1 . . . . 18 . . . 6846 1 215 . 1 1 17 17 LYS HD2 H 1 1.695 0.007 . 1 . . . . 18 . . . 6846 1 216 . 1 1 17 17 LYS HD3 H 1 1.695 0.007 . 1 . . . . 18 . . . 6846 1 217 . 1 1 17 17 LYS CE C 13 42.216 0.022 . 1 . . . . 18 . . . 6846 1 218 . 1 1 17 17 LYS HE2 H 1 2.996 0.004 . 1 . . . . 18 . . . 6846 1 219 . 1 1 17 17 LYS HE3 H 1 2.996 0.004 . 1 . . . . 18 . . . 6846 1 220 . 1 1 17 17 LYS C C 13 177.283 0.000 . 1 . . . . 18 . . . 6846 1 221 . 1 1 18 18 LYS N N 15 123.878 0.046 . 1 . . . . 19 . . . 6846 1 222 . 1 1 18 18 LYS H H 1 8.392 0.002 . 1 . . . . 19 . . . 6846 1 223 . 1 1 18 18 LYS CA C 13 56.341 0.069 . 1 . . . . 19 . . . 6846 1 224 . 1 1 18 18 LYS HA H 1 4.309 0.004 . 1 . . . . 19 . . . 6846 1 225 . 1 1 18 18 LYS CB C 13 33.333 0.137 . 1 . . . . 19 . . . 6846 1 226 . 1 1 18 18 LYS HB2 H 1 1.813 0.008 . 1 . . . . 19 . . . 6846 1 227 . 1 1 18 18 LYS HB3 H 1 1.813 0.008 . 1 . . . . 19 . . . 6846 1 228 . 1 1 18 18 LYS CG C 13 24.885 0.019 . 1 . . . . 19 . . . 6846 1 229 . 1 1 18 18 LYS HG2 H 1 1.430 0.007 . 1 . . . . 19 . . . 6846 1 230 . 1 1 18 18 LYS HG3 H 1 1.430 0.007 . 1 . . . . 19 . . . 6846 1 231 . 1 1 18 18 LYS CD C 13 29.311 0.071 . 1 . . . . 19 . . . 6846 1 232 . 1 1 18 18 LYS HD2 H 1 1.686 0.004 . 1 . . . . 19 . . . 6846 1 233 . 1 1 18 18 LYS HD3 H 1 1.686 0.004 . 1 . . . . 19 . . . 6846 1 234 . 1 1 18 18 LYS CE C 13 42.217 0.003 . 1 . . . . 19 . . . 6846 1 235 . 1 1 18 18 LYS HE2 H 1 2.988 0.005 . 1 . . . . 19 . . . 6846 1 236 . 1 1 18 18 LYS HE3 H 1 2.988 0.005 . 1 . . . . 19 . . . 6846 1 237 . 1 1 18 18 LYS C C 13 177.741 0.000 . 1 . . . . 19 . . . 6846 1 238 . 1 1 19 19 VAL N N 15 122.341 0.005 . 1 . . . . 20 . . . 6846 1 239 . 1 1 19 19 VAL H H 1 8.290 0.008 . 1 . . . . 20 . . . 6846 1 240 . 1 1 19 19 VAL CA C 13 62.310 0.160 . 1 . . . . 20 . . . 6846 1 241 . 1 1 19 19 VAL HA H 1 4.201 0.006 . 1 . . . . 20 . . . 6846 1 242 . 1 1 19 19 VAL CB C 13 32.931 0.048 . 1 . . . . 20 . . . 6846 1 243 . 1 1 19 19 VAL HB H 1 2.093 0.006 . 1 . . . . 20 . . . 6846 1 244 . 1 1 19 19 VAL HG11 H 1 0.944 0.004 . 1 . . . . 20 . . . 6846 1 245 . 1 1 19 19 VAL HG12 H 1 0.944 0.004 . 1 . . . . 20 . . . 6846 1 246 . 1 1 19 19 VAL HG13 H 1 0.944 0.004 . 1 . . . . 20 . . . 6846 1 247 . 1 1 19 19 VAL HG21 H 1 0.944 0.004 . 1 . . . . 20 . . . 6846 1 248 . 1 1 19 19 VAL HG22 H 1 0.944 0.004 . 1 . . . . 20 . . . 6846 1 249 . 1 1 19 19 VAL HG23 H 1 0.944 0.004 . 1 . . . . 20 . . . 6846 1 250 . 1 1 19 19 VAL CG1 C 13 20.863 0.109 . 1 . . . . 20 . . . 6846 1 251 . 1 1 19 19 VAL CG2 C 13 20.964 0.000 . 1 . . . . 20 . . . 6846 1 252 . 1 1 19 19 VAL C C 13 177.477 0.000 . 1 . . . . 20 . . . 6846 1 253 . 1 1 20 20 THR N N 15 118.059 0.084 . 1 . . . . 21 . . . 6846 1 254 . 1 1 20 20 THR H H 1 8.236 0.006 . 1 . . . . 21 . . . 6846 1 255 . 1 1 20 20 THR CA C 13 61.897 0.010 . 1 . . . . 21 . . . 6846 1 256 . 1 1 20 20 THR HA H 1 4.330 0.011 . 1 . . . . 21 . . . 6846 1 257 . 1 1 20 20 THR CB C 13 69.797 0.067 . 1 . . . . 21 . . . 6846 1 258 . 1 1 20 20 THR HB H 1 4.209 0.008 . 1 . . . . 21 . . . 6846 1 259 . 1 1 20 20 THR HG21 H 1 1.204 0.006 . 1 . . . . 21 . . . 6846 1 260 . 1 1 20 20 THR HG22 H 1 1.204 0.006 . 1 . . . . 21 . . . 6846 1 261 . 1 1 20 20 THR HG23 H 1 1.204 0.006 . 1 . . . . 21 . . . 6846 1 262 . 1 1 20 20 THR CG2 C 13 21.732 0.082 . 1 . . . . 21 . . . 6846 1 263 . 1 1 20 20 THR C C 13 175.668 0.000 . 1 . . . . 21 . . . 6846 1 264 . 1 1 21 21 GLU N N 15 123.806 0.030 . 1 . . . . 22 . . . 6846 1 265 . 1 1 21 21 GLU H H 1 8.497 0.009 . 1 . . . . 22 . . . 6846 1 266 . 1 1 21 21 GLU CA C 13 56.553 0.089 . 1 . . . . 22 . . . 6846 1 267 . 1 1 21 21 GLU HA H 1 4.375 0.009 . 1 . . . . 22 . . . 6846 1 268 . 1 1 21 21 GLU CB C 13 30.256 0.078 . 1 . . . . 22 . . . 6846 1 269 . 1 1 21 21 GLU HB2 H 1 2.108 0.007 . 2 . . . . 22 . . . 6846 1 270 . 1 1 21 21 GLU HB3 H 1 1.970 0.006 . 2 . . . . 22 . . . 6846 1 271 . 1 1 21 21 GLU CG C 13 35.916 0.062 . 1 . . . . 22 . . . 6846 1 272 . 1 1 21 21 GLU HG2 H 1 2.301 0.007 . 1 . . . . 22 . . . 6846 1 273 . 1 1 21 21 GLU HG3 H 1 2.301 0.007 . 1 . . . . 22 . . . 6846 1 274 . 1 1 21 21 GLU C C 13 177.645 0.000 . 1 . . . . 22 . . . 6846 1 275 . 1 1 22 22 SER N N 15 117.016 0.029 . 1 . . . . 23 . . . 6846 1 276 . 1 1 22 22 SER H H 1 8.435 0.006 . 1 . . . . 23 . . . 6846 1 277 . 1 1 22 22 SER CA C 13 58.698 0.093 . 1 . . . . 23 . . . 6846 1 278 . 1 1 22 22 SER HA H 1 4.442 0.004 . 1 . . . . 23 . . . 6846 1 279 . 1 1 22 22 SER CB C 13 63.874 0.146 . 1 . . . . 23 . . . 6846 1 280 . 1 1 22 22 SER HB2 H 1 3.911 0.008 . 2 . . . . 23 . . . 6846 1 281 . 1 1 22 22 SER HB3 H 1 3.877 0.000 . 2 . . . . 23 . . . 6846 1 282 . 1 1 22 22 SER C C 13 176.317 0.000 . 1 . . . . 23 . . . 6846 1 283 . 1 1 23 23 GLY N N 15 111.018 0.048 . 1 . . . . 24 . . . 6846 1 284 . 1 1 23 23 GLY H H 1 8.454 0.006 . 1 . . . . 24 . . . 6846 1 285 . 1 1 23 23 GLY CA C 13 45.411 0.018 . 1 . . . . 24 . . . 6846 1 286 . 1 1 23 23 GLY HA2 H 1 3.980 0.005 . 1 . . . . 24 . . . 6846 1 287 . 1 1 23 23 GLY HA3 H 1 3.980 0.005 . 1 . . . . 24 . . . 6846 1 288 . 1 1 23 23 GLY C C 13 175.247 0.000 . 1 . . . . 24 . . . 6846 1 289 . 1 1 24 24 GLU N N 15 120.672 0.028 . 1 . . . . 25 . . . 6846 1 290 . 1 1 24 24 GLU H H 1 8.225 0.005 . 1 . . . . 25 . . . 6846 1 291 . 1 1 24 24 GLU CA C 13 56.562 0.027 . 1 . . . . 25 . . . 6846 1 292 . 1 1 24 24 GLU HA H 1 4.303 0.014 . 1 . . . . 25 . . . 6846 1 293 . 1 1 24 24 GLU CB C 13 30.399 0.097 . 1 . . . . 25 . . . 6846 1 294 . 1 1 24 24 GLU HB2 H 1 2.040 0.008 . 2 . . . . 25 . . . 6846 1 295 . 1 1 24 24 GLU HB3 H 1 1.938 0.010 . 2 . . . . 25 . . . 6846 1 296 . 1 1 24 24 GLU CG C 13 35.860 0.113 . 1 . . . . 25 . . . 6846 1 297 . 1 1 24 24 GLU HG2 H 1 2.261 0.010 . 1 . . . . 25 . . . 6846 1 298 . 1 1 24 24 GLU HG3 H 1 2.261 0.010 . 1 . . . . 25 . . . 6846 1 299 . 1 1 24 24 GLU C C 13 177.597 0.000 . 1 . . . . 25 . . . 6846 1 300 . 1 1 25 25 ILE N N 15 122.374 0.051 . 1 . . . . 26 . . . 6846 1 301 . 1 1 25 25 ILE H H 1 8.261 0.004 . 1 . . . . 26 . . . 6846 1 302 . 1 1 25 25 ILE CA C 13 61.345 0.120 . 1 . . . . 26 . . . 6846 1 303 . 1 1 25 25 ILE HA H 1 4.214 0.005 . 1 . . . . 26 . . . 6846 1 304 . 1 1 25 25 ILE CB C 13 38.558 0.138 . 1 . . . . 26 . . . 6846 1 305 . 1 1 25 25 ILE HB H 1 1.906 0.005 . 1 . . . . 26 . . . 6846 1 306 . 1 1 25 25 ILE HG21 H 1 0.920 0.008 . 1 . . . . 26 . . . 6846 1 307 . 1 1 25 25 ILE HG22 H 1 0.920 0.008 . 1 . . . . 26 . . . 6846 1 308 . 1 1 25 25 ILE HG23 H 1 0.920 0.008 . 1 . . . . 26 . . . 6846 1 309 . 1 1 25 25 ILE CG2 C 13 17.554 0.086 . 1 . . . . 26 . . . 6846 1 310 . 1 1 25 25 ILE CG1 C 13 27.525 0.056 . 1 . . . . 26 . . . 6846 1 311 . 1 1 25 25 ILE HG12 H 1 1.494 0.009 . 2 . . . . 26 . . . 6846 1 312 . 1 1 25 25 ILE HG13 H 1 1.225 0.005 . 2 . . . . 26 . . . 6846 1 313 . 1 1 25 25 ILE HD11 H 1 0.871 0.006 . 1 . . . . 26 . . . 6846 1 314 . 1 1 25 25 ILE HD12 H 1 0.871 0.006 . 1 . . . . 26 . . . 6846 1 315 . 1 1 25 25 ILE HD13 H 1 0.871 0.006 . 1 . . . . 26 . . . 6846 1 316 . 1 1 25 25 ILE CD1 C 13 13.071 0.165 . 1 . . . . 26 . . . 6846 1 317 . 1 1 25 25 ILE C C 13 177.867 0.000 . 1 . . . . 26 . . . 6846 1 318 . 1 1 26 26 THR N N 15 118.448 0.041 . 1 . . . . 27 . . . 6846 1 319 . 1 1 26 26 THR H H 1 8.201 0.007 . 1 . . . . 27 . . . 6846 1 320 . 1 1 26 26 THR CA C 13 62.007 0.096 . 1 . . . . 27 . . . 6846 1 321 . 1 1 26 26 THR HA H 1 4.336 0.006 . 1 . . . . 27 . . . 6846 1 322 . 1 1 26 26 THR CB C 13 69.727 0.001 . 1 . . . . 27 . . . 6846 1 323 . 1 1 26 26 THR HB H 1 4.200 0.007 . 1 . . . . 27 . . . 6846 1 324 . 1 1 26 26 THR HG21 H 1 1.207 0.006 . 1 . . . . 27 . . . 6846 1 325 . 1 1 26 26 THR HG22 H 1 1.207 0.006 . 1 . . . . 27 . . . 6846 1 326 . 1 1 26 26 THR HG23 H 1 1.207 0.006 . 1 . . . . 27 . . . 6846 1 327 . 1 1 26 26 THR CG2 C 13 21.826 0.091 . 1 . . . . 27 . . . 6846 1 328 . 1 1 26 26 THR C C 13 175.730 0.000 . 1 . . . . 27 . . . 6846 1 329 . 1 1 27 27 LYS N N 15 124.053 0.028 . 1 . . . . 28 . . . 6846 1 330 . 1 1 27 27 LYS H H 1 8.331 0.007 . 1 . . . . 28 . . . 6846 1 331 . 1 1 27 27 LYS CA C 13 56.459 0.117 . 1 . . . . 28 . . . 6846 1 332 . 1 1 27 27 LYS HA H 1 4.343 0.008 . 1 . . . . 28 . . . 6846 1 333 . 1 1 27 27 LYS CB C 13 33.195 0.068 . 1 . . . . 28 . . . 6846 1 334 . 1 1 27 27 LYS HB2 H 1 1.829 0.010 . 2 . . . . 28 . . . 6846 1 335 . 1 1 27 27 LYS HB3 H 1 1.773 0.006 . 2 . . . . 28 . . . 6846 1 336 . 1 1 27 27 LYS CG C 13 24.862 0.080 . 1 . . . . 28 . . . 6846 1 337 . 1 1 27 27 LYS HG2 H 1 1.445 0.006 . 1 . . . . 28 . . . 6846 1 338 . 1 1 27 27 LYS HG3 H 1 1.445 0.006 . 1 . . . . 28 . . . 6846 1 339 . 1 1 27 27 LYS CD C 13 29.373 0.096 . 1 . . . . 28 . . . 6846 1 340 . 1 1 27 27 LYS HD2 H 1 1.702 0.006 . 1 . . . . 28 . . . 6846 1 341 . 1 1 27 27 LYS HD3 H 1 1.702 0.006 . 1 . . . . 28 . . . 6846 1 342 . 1 1 27 27 LYS CE C 13 42.082 0.017 . 1 . . . . 28 . . . 6846 1 343 . 1 1 27 27 LYS HE2 H 1 2.997 0.006 . 1 . . . . 28 . . . 6846 1 344 . 1 1 27 27 LYS HE3 H 1 2.997 0.006 . 1 . . . . 28 . . . 6846 1 345 . 1 1 27 27 LYS C C 13 177.785 0.000 . 1 . . . . 28 . . . 6846 1 346 . 1 1 28 28 SER N N 15 116.727 0.020 . 1 . . . . 29 . . . 6846 1 347 . 1 1 28 28 SER H H 1 8.234 0.007 . 1 . . . . 29 . . . 6846 1 348 . 1 1 28 28 SER CA C 13 58.175 0.002 . 1 . . . . 29 . . . 6846 1 349 . 1 1 28 28 SER HA H 1 4.405 0.004 . 1 . . . . 29 . . . 6846 1 350 . 1 1 28 28 SER CB C 13 63.887 0.157 . 1 . . . . 29 . . . 6846 1 351 . 1 1 28 28 SER HB2 H 1 3.825 0.007 . 1 . . . . 29 . . . 6846 1 352 . 1 1 28 28 SER HB3 H 1 3.825 0.007 . 1 . . . . 29 . . . 6846 1 353 . 1 1 28 28 SER C C 13 175.244 0.000 . 1 . . . . 29 . . . 6846 1 354 . 1 1 29 29 ALA N N 15 125.776 0.023 . 1 . . . . 30 . . . 6846 1 355 . 1 1 29 29 ALA H H 1 8.290 0.003 . 1 . . . . 30 . . . 6846 1 356 . 1 1 29 29 ALA CA C 13 52.519 0.019 . 1 . . . . 30 . . . 6846 1 357 . 1 1 29 29 ALA HA H 1 4.276 0.009 . 1 . . . . 30 . . . 6846 1 358 . 1 1 29 29 ALA HB1 H 1 1.314 0.007 . 1 . . . . 30 . . . 6846 1 359 . 1 1 29 29 ALA HB2 H 1 1.314 0.007 . 1 . . . . 30 . . . 6846 1 360 . 1 1 29 29 ALA HB3 H 1 1.314 0.007 . 1 . . . . 30 . . . 6846 1 361 . 1 1 29 29 ALA CB C 13 19.475 0.025 . 1 . . . . 30 . . . 6846 1 362 . 1 1 29 29 ALA C C 13 178.320 0.000 . 1 . . . . 30 . . . 6846 1 363 . 1 1 30 30 HIS N N 15 117.611 0.034 . 1 . . . . 31 . . . 6846 1 364 . 1 1 30 30 HIS H H 1 8.337 0.004 . 1 . . . . 31 . . . 6846 1 365 . 1 1 30 30 HIS CA C 13 53.155 0.068 . 1 . . . . 31 . . . 6846 1 366 . 1 1 30 30 HIS HA H 1 4.969 0.004 . 1 . . . . 31 . . . 6846 1 367 . 1 1 30 30 HIS CB C 13 29.227 0.174 . 1 . . . . 31 . . . 6846 1 368 . 1 1 30 30 HIS HB2 H 1 3.196 0.013 . 2 . . . . 31 . . . 6846 1 369 . 1 1 30 30 HIS HB3 H 1 3.093 0.010 . 2 . . . . 31 . . . 6846 1 370 . 1 1 30 30 HIS HD2 H 1 7.159 0.002 . 1 . . . . 31 . . . 6846 1 371 . 1 1 31 31 PRO CD C 13 50.664 0.092 . 1 . . . . 32 . . . 6846 1 372 . 1 1 31 31 PRO CA C 13 63.150 0.073 . 1 . . . . 32 . . . 6846 1 373 . 1 1 31 31 PRO HA H 1 4.425 0.007 . 1 . . . . 32 . . . 6846 1 374 . 1 1 31 31 PRO CB C 13 32.219 0.092 . 1 . . . . 32 . . . 6846 1 375 . 1 1 31 31 PRO HB2 H 1 2.310 0.006 . 2 . . . . 32 . . . 6846 1 376 . 1 1 31 31 PRO HB3 H 1 1.923 0.007 . 2 . . . . 32 . . . 6846 1 377 . 1 1 31 31 PRO CG C 13 27.422 0.071 . 1 . . . . 32 . . . 6846 1 378 . 1 1 31 31 PRO HG2 H 1 2.015 0.009 . 2 . . . . 32 . . . 6846 1 379 . 1 1 31 31 PRO HG3 H 1 1.944 0.007 . 2 . . . . 32 . . . 6846 1 380 . 1 1 31 31 PRO HD2 H 1 3.688 0.007 . 2 . . . . 32 . . . 6846 1 381 . 1 1 31 31 PRO HD3 H 1 3.572 0.007 . 2 . . . . 32 . . . 6846 1 382 . 1 1 31 31 PRO C C 13 177.775 0.000 . 1 . . . . 32 . . . 6846 1 383 . 1 1 32 32 ALA N N 15 124.921 0.053 . 1 . . . . 33 . . . 6846 1 384 . 1 1 32 32 ALA H H 1 8.496 0.006 . 1 . . . . 33 . . . 6846 1 385 . 1 1 32 32 ALA CA C 13 52.484 0.030 . 1 . . . . 33 . . . 6846 1 386 . 1 1 32 32 ALA HA H 1 4.290 0.008 . 1 . . . . 33 . . . 6846 1 387 . 1 1 32 32 ALA HB1 H 1 1.370 0.008 . 1 . . . . 33 . . . 6846 1 388 . 1 1 32 32 ALA HB2 H 1 1.370 0.008 . 1 . . . . 33 . . . 6846 1 389 . 1 1 32 32 ALA HB3 H 1 1.370 0.008 . 1 . . . . 33 . . . 6846 1 390 . 1 1 32 32 ALA CB C 13 19.363 0.075 . 1 . . . . 33 . . . 6846 1 391 . 1 1 32 32 ALA C C 13 178.801 0.000 . 1 . . . . 33 . . . 6846 1 392 . 1 1 33 33 ARG N N 15 120.240 0.044 . 1 . . . . 34 . . . 6846 1 393 . 1 1 33 33 ARG H H 1 8.244 0.005 . 1 . . . . 34 . . . 6846 1 394 . 1 1 33 33 ARG CA C 13 55.968 0.105 . 1 . . . . 34 . . . 6846 1 395 . 1 1 33 33 ARG HA H 1 4.274 0.007 . 1 . . . . 34 . . . 6846 1 396 . 1 1 33 33 ARG CB C 13 31.046 0.016 . 1 . . . . 34 . . . 6846 1 397 . 1 1 33 33 ARG HB2 H 1 1.710 0.007 . 1 . . . . 34 . . . 6846 1 398 . 1 1 33 33 ARG HB3 H 1 1.710 0.007 . 1 . . . . 34 . . . 6846 1 399 . 1 1 33 33 ARG CG C 13 26.950 0.040 . 1 . . . . 34 . . . 6846 1 400 . 1 1 33 33 ARG HG2 H 1 1.518 0.007 . 1 . . . . 34 . . . 6846 1 401 . 1 1 33 33 ARG HG3 H 1 1.518 0.007 . 1 . . . . 34 . . . 6846 1 402 . 1 1 33 33 ARG CD C 13 43.357 0.100 . 1 . . . . 34 . . . 6846 1 403 . 1 1 33 33 ARG HD2 H 1 3.140 0.007 . 1 . . . . 34 . . . 6846 1 404 . 1 1 33 33 ARG HD3 H 1 3.140 0.007 . 1 . . . . 34 . . . 6846 1 405 . 1 1 33 33 ARG NE N 15 120.961 0.030 . 1 . . . . 34 . . . 6846 1 406 . 1 1 33 33 ARG HE H 1 7.154 0.003 . 1 . . . . 34 . . . 6846 1 407 . 1 1 33 33 ARG C C 13 176.948 0.000 . 1 . . . . 34 . . . 6846 1 408 . 1 1 34 34 PHE N N 15 121.715 0.030 . 1 . . . . 35 . . . 6846 1 409 . 1 1 34 34 PHE H H 1 8.305 0.003 . 1 . . . . 35 . . . 6846 1 410 . 1 1 34 34 PHE CA C 13 57.470 0.048 . 1 . . . . 35 . . . 6846 1 411 . 1 1 34 34 PHE HA H 1 4.683 0.010 . 1 . . . . 35 . . . 6846 1 412 . 1 1 34 34 PHE CB C 13 39.917 0.076 . 1 . . . . 35 . . . 6846 1 413 . 1 1 34 34 PHE HB2 H 1 3.093 0.006 . 2 . . . . 35 . . . 6846 1 414 . 1 1 34 34 PHE HB3 H 1 3.039 0.013 . 2 . . . . 35 . . . 6846 1 415 . 1 1 34 34 PHE HD1 H 1 7.225 0.009 . 1 . . . . 35 . . . 6846 1 416 . 1 1 34 34 PHE HE1 H 1 7.302 0.003 . 1 . . . . 35 . . . 6846 1 417 . 1 1 34 34 PHE HE2 H 1 7.302 0.003 . 1 . . . . 35 . . . 6846 1 418 . 1 1 34 34 PHE HD2 H 1 7.225 0.009 . 1 . . . . 35 . . . 6846 1 419 . 1 1 34 34 PHE C C 13 176.341 0.000 . 1 . . . . 35 . . . 6846 1 420 . 1 1 35 35 SER N N 15 119.698 0.033 . 1 . . . . 36 . . . 6846 1 421 . 1 1 35 35 SER H H 1 8.315 0.003 . 1 . . . . 36 . . . 6846 1 422 . 1 1 35 35 SER CA C 13 55.669 0.023 . 1 . . . . 36 . . . 6846 1 423 . 1 1 35 35 SER HA H 1 4.751 0.010 . 1 . . . . 36 . . . 6846 1 424 . 1 1 35 35 SER CB C 13 63.899 0.134 . 1 . . . . 36 . . . 6846 1 425 . 1 1 35 35 SER HB2 H 1 3.816 0.008 . 1 . . . . 36 . . . 6846 1 426 . 1 1 35 35 SER HB3 H 1 3.816 0.008 . 1 . . . . 36 . . . 6846 1 427 . 1 1 36 36 PRO CD C 13 50.877 0.042 . 1 . . . . 37 . . . 6846 1 428 . 1 1 36 36 PRO CA C 13 63.583 0.056 . 1 . . . . 37 . . . 6846 1 429 . 1 1 36 36 PRO HA H 1 4.367 0.006 . 1 . . . . 37 . . . 6846 1 430 . 1 1 36 36 PRO CB C 13 31.945 0.122 . 1 . . . . 37 . . . 6846 1 431 . 1 1 36 36 PRO HB2 H 1 2.311 0.008 . 2 . . . . 37 . . . 6846 1 432 . 1 1 36 36 PRO HB3 H 1 1.985 0.007 . 2 . . . . 37 . . . 6846 1 433 . 1 1 36 36 PRO CG C 13 27.470 0.047 . 1 . . . . 37 . . . 6846 1 434 . 1 1 36 36 PRO HG2 H 1 2.003 0.007 . 1 . . . . 37 . . . 6846 1 435 . 1 1 36 36 PRO HG3 H 1 2.003 0.007 . 1 . . . . 37 . . . 6846 1 436 . 1 1 36 36 PRO HD2 H 1 3.731 0.016 . 2 . . . . 37 . . . 6846 1 437 . 1 1 36 36 PRO HD3 H 1 3.653 0.011 . 2 . . . . 37 . . . 6846 1 438 . 1 1 36 36 PRO C C 13 177.693 0.000 . 1 . . . . 37 . . . 6846 1 439 . 1 1 37 37 ASP N N 15 119.247 0.071 . 1 . . . . 38 . . . 6846 1 440 . 1 1 37 37 ASP H H 1 8.232 0.004 . 1 . . . . 38 . . . 6846 1 441 . 1 1 37 37 ASP CA C 13 54.436 0.030 . 1 . . . . 38 . . . 6846 1 442 . 1 1 37 37 ASP HA H 1 4.584 0.004 . 1 . . . . 38 . . . 6846 1 443 . 1 1 37 37 ASP CB C 13 41.206 0.087 . 1 . . . . 38 . . . 6846 1 444 . 1 1 37 37 ASP HB2 H 1 2.727 0.006 . 2 . . . . 38 . . . 6846 1 445 . 1 1 37 37 ASP HB3 H 1 2.615 0.009 . 2 . . . . 38 . . . 6846 1 446 . 1 1 37 37 ASP C C 13 177.381 0.000 . 1 . . . . 38 . . . 6846 1 447 . 1 1 38 38 ASP N N 15 121.268 0.035 . 1 . . . . 39 . . . 6846 1 448 . 1 1 38 38 ASP H H 1 8.112 0.009 . 1 . . . . 39 . . . 6846 1 449 . 1 1 38 38 ASP CA C 13 54.654 0.117 . 1 . . . . 39 . . . 6846 1 450 . 1 1 38 38 ASP HA H 1 4.573 0.007 . 1 . . . . 39 . . . 6846 1 451 . 1 1 38 38 ASP CB C 13 41.360 0.045 . 1 . . . . 39 . . . 6846 1 452 . 1 1 38 38 ASP HB2 H 1 2.723 0.008 . 1 . . . . 39 . . . 6846 1 453 . 1 1 38 38 ASP HB3 H 1 2.723 0.008 . 1 . . . . 39 . . . 6846 1 454 . 1 1 38 38 ASP C C 13 177.837 0.000 . 1 . . . . 39 . . . 6846 1 455 . 1 1 39 39 LYS N N 15 121.038 0.041 . 1 . . . . 40 . . . 6846 1 456 . 1 1 39 39 LYS H H 1 8.205 0.006 . 1 . . . . 40 . . . 6846 1 457 . 1 1 39 39 LYS CA C 13 57.630 0.068 . 1 . . . . 40 . . . 6846 1 458 . 1 1 39 39 LYS HA H 1 4.079 0.007 . 1 . . . . 40 . . . 6846 1 459 . 1 1 39 39 LYS CB C 13 32.468 0.114 . 1 . . . . 40 . . . 6846 1 460 . 1 1 39 39 LYS HB2 H 1 1.638 0.006 . 1 . . . . 40 . . . 6846 1 461 . 1 1 39 39 LYS HB3 H 1 1.638 0.006 . 1 . . . . 40 . . . 6846 1 462 . 1 1 39 39 LYS CG C 13 24.448 0.086 . 1 . . . . 40 . . . 6846 1 463 . 1 1 39 39 LYS HG2 H 1 1.149 0.005 . 1 . . . . 40 . . . 6846 1 464 . 1 1 39 39 LYS HG3 H 1 1.149 0.005 . 1 . . . . 40 . . . 6846 1 465 . 1 1 39 39 LYS CD C 13 29.116 0.025 . 1 . . . . 40 . . . 6846 1 466 . 1 1 39 39 LYS HD2 H 1 1.579 0.006 . 1 . . . . 40 . . . 6846 1 467 . 1 1 39 39 LYS HD3 H 1 1.579 0.006 . 1 . . . . 40 . . . 6846 1 468 . 1 1 39 39 LYS CE C 13 42.048 0.051 . 1 . . . . 40 . . . 6846 1 469 . 1 1 39 39 LYS HE2 H 1 2.916 0.006 . 1 . . . . 40 . . . 6846 1 470 . 1 1 39 39 LYS HE3 H 1 2.916 0.006 . 1 . . . . 40 . . . 6846 1 471 . 1 1 39 39 LYS C C 13 178.201 0.000 . 1 . . . . 40 . . . 6846 1 472 . 1 1 40 40 TYR N N 15 119.216 0.048 . 1 . . . . 41 . . . 6846 1 473 . 1 1 40 40 TYR H H 1 8.078 0.004 . 1 . . . . 41 . . . 6846 1 474 . 1 1 40 40 TYR CA C 13 58.379 0.081 . 1 . . . . 41 . . . 6846 1 475 . 1 1 40 40 TYR HA H 1 4.550 0.008 . 1 . . . . 41 . . . 6846 1 476 . 1 1 40 40 TYR CB C 13 38.362 0.086 . 1 . . . . 41 . . . 6846 1 477 . 1 1 40 40 TYR HB2 H 1 3.160 0.005 . 2 . . . . 41 . . . 6846 1 478 . 1 1 40 40 TYR HB3 H 1 2.948 0.008 . 2 . . . . 41 . . . 6846 1 479 . 1 1 40 40 TYR HD1 H 1 7.147 0.006 . 1 . . . . 41 . . . 6846 1 480 . 1 1 40 40 TYR HE1 H 1 6.835 0.008 . 1 . . . . 41 . . . 6846 1 481 . 1 1 40 40 TYR HE2 H 1 6.835 0.008 . 1 . . . . 41 . . . 6846 1 482 . 1 1 40 40 TYR HD2 H 1 7.147 0.006 . 1 . . . . 41 . . . 6846 1 483 . 1 1 40 40 TYR C C 13 177.695 0.000 . 1 . . . . 41 . . . 6846 1 484 . 1 1 41 41 SER N N 15 116.545 0.058 . 1 . . . . 42 . . . 6846 1 485 . 1 1 41 41 SER H H 1 8.036 0.005 . 1 . . . . 42 . . . 6846 1 486 . 1 1 41 41 SER CA C 13 59.048 0.112 . 1 . . . . 42 . . . 6846 1 487 . 1 1 41 41 SER HA H 1 4.338 0.007 . 1 . . . . 42 . . . 6846 1 488 . 1 1 41 41 SER CB C 13 63.801 0.220 . 1 . . . . 42 . . . 6846 1 489 . 1 1 41 41 SER HB2 H 1 3.917 0.005 . 2 . . . . 42 . . . 6846 1 490 . 1 1 41 41 SER HB3 H 1 3.877 0.012 . 2 . . . . 42 . . . 6846 1 491 . 1 1 41 41 SER C C 13 176.230 0.000 . 1 . . . . 42 . . . 6846 1 492 . 1 1 42 42 ARG N N 15 122.306 0.079 . 1 . . . . 43 . . . 6846 1 493 . 1 1 42 42 ARG H H 1 8.225 0.009 . 1 . . . . 43 . . . 6846 1 494 . 1 1 42 42 ARG CA C 13 56.690 0.000 . 1 . . . . 43 . . . 6846 1 495 . 1 1 42 42 ARG HA H 1 4.276 0.020 . 1 . . . . 43 . . . 6846 1 496 . 1 1 42 42 ARG CB C 13 30.581 0.107 . 1 . . . . 43 . . . 6846 1 497 . 1 1 42 42 ARG HB2 H 1 1.870 0.014 . 1 . . . . 43 . . . 6846 1 498 . 1 1 42 42 ARG HB3 H 1 1.870 0.014 . 1 . . . . 43 . . . 6846 1 499 . 1 1 42 42 ARG CG C 13 27.276 0.039 . 1 . . . . 43 . . . 6846 1 500 . 1 1 42 42 ARG HG2 H 1 1.664 0.010 . 1 . . . . 43 . . . 6846 1 501 . 1 1 42 42 ARG HG3 H 1 1.664 0.010 . 1 . . . . 43 . . . 6846 1 502 . 1 1 42 42 ARG CD C 13 43.441 0.034 . 1 . . . . 43 . . . 6846 1 503 . 1 1 42 42 ARG HD2 H 1 3.192 0.006 . 1 . . . . 43 . . . 6846 1 504 . 1 1 42 42 ARG HD3 H 1 3.192 0.006 . 1 . . . . 43 . . . 6846 1 505 . 1 1 42 42 ARG NE N 15 120.905 0.028 . 1 . . . . 43 . . . 6846 1 506 . 1 1 42 42 ARG HE H 1 7.234 0.002 . 1 . . . . 43 . . . 6846 1 507 . 1 1 42 42 ARG C C 13 177.837 0.000 . 1 . . . . 43 . . . 6846 1 508 . 1 1 43 43 GLN N N 15 120.212 0.055 . 1 . . . . 44 . . . 6846 1 509 . 1 1 43 43 GLN H H 1 8.202 0.004 . 1 . . . . 44 . . . 6846 1 510 . 1 1 43 43 GLN CA C 13 56.067 0.079 . 1 . . . . 44 . . . 6846 1 511 . 1 1 43 43 GLN HA H 1 4.285 0.011 . 1 . . . . 44 . . . 6846 1 512 . 1 1 43 43 GLN CB C 13 29.412 0.040 . 1 . . . . 44 . . . 6846 1 513 . 1 1 43 43 GLN HB2 H 1 2.101 0.005 . 2 . . . . 44 . . . 6846 1 514 . 1 1 43 43 GLN HB3 H 1 2.003 0.004 . 2 . . . . 44 . . . 6846 1 515 . 1 1 43 43 GLN CG C 13 34.060 0.153 . 1 . . . . 44 . . . 6846 1 516 . 1 1 43 43 GLN HG2 H 1 2.385 0.006 . 1 . . . . 44 . . . 6846 1 517 . 1 1 43 43 GLN HG3 H 1 2.385 0.006 . 1 . . . . 44 . . . 6846 1 518 . 1 1 43 43 GLN NE2 N 15 112.567 0.077 . 1 . . . . 44 . . . 6846 1 519 . 1 1 43 43 GLN HE21 H 1 6.876 0.007 . 2 . . . . 44 . . . 6846 1 520 . 1 1 43 43 GLN HE22 H 1 7.533 0.002 . 2 . . . . 44 . . . 6846 1 521 . 1 1 43 43 GLN C C 13 177.237 0.000 . 1 . . . . 44 . . . 6846 1 522 . 1 1 44 44 ARG N N 15 122.115 0.103 . 1 . . . . 45 . . . 6846 1 523 . 1 1 44 44 ARG H H 1 8.227 0.004 . 1 . . . . 45 . . . 6846 1 524 . 1 1 44 44 ARG CA C 13 56.585 0.095 . 1 . . . . 45 . . . 6846 1 525 . 1 1 44 44 ARG HA H 1 4.300 0.008 . 1 . . . . 45 . . . 6846 1 526 . 1 1 44 44 ARG CB C 13 30.633 0.048 . 1 . . . . 45 . . . 6846 1 527 . 1 1 44 44 ARG HB2 H 1 1.807 0.010 . 1 . . . . 45 . . . 6846 1 528 . 1 1 44 44 ARG HB3 H 1 1.807 0.010 . 1 . . . . 45 . . . 6846 1 529 . 1 1 44 44 ARG CG C 13 27.326 0.057 . 1 . . . . 45 . . . 6846 1 530 . 1 1 44 44 ARG HG2 H 1 1.647 0.011 . 1 . . . . 45 . . . 6846 1 531 . 1 1 44 44 ARG HG3 H 1 1.647 0.011 . 1 . . . . 45 . . . 6846 1 532 . 1 1 44 44 ARG CD C 13 43.398 0.135 . 1 . . . . 45 . . . 6846 1 533 . 1 1 44 44 ARG HD2 H 1 3.182 0.007 . 1 . . . . 45 . . . 6846 1 534 . 1 1 44 44 ARG HD3 H 1 3.182 0.007 . 1 . . . . 45 . . . 6846 1 535 . 1 1 44 44 ARG NE N 15 120.778 0.036 . 1 . . . . 45 . . . 6846 1 536 . 1 1 44 44 ARG HE H 1 7.202 0.005 . 1 . . . . 45 . . . 6846 1 537 . 1 1 44 44 ARG C C 13 177.621 0.000 . 1 . . . . 45 . . . 6846 1 538 . 1 1 45 45 VAL N N 15 121.373 0.030 . 1 . . . . 46 . . . 6846 1 539 . 1 1 45 45 VAL H H 1 8.139 0.004 . 1 . . . . 46 . . . 6846 1 540 . 1 1 45 45 VAL CA C 13 62.605 0.044 . 1 . . . . 46 . . . 6846 1 541 . 1 1 45 45 VAL HA H 1 4.144 0.007 . 1 . . . . 46 . . . 6846 1 542 . 1 1 45 45 VAL CB C 13 32.915 0.045 . 1 . . . . 46 . . . 6846 1 543 . 1 1 45 45 VAL HB H 1 2.084 0.010 . 1 . . . . 46 . . . 6846 1 544 . 1 1 45 45 VAL HG11 H 1 0.952 0.006 . 1 . . . . 46 . . . 6846 1 545 . 1 1 45 45 VAL HG12 H 1 0.952 0.006 . 1 . . . . 46 . . . 6846 1 546 . 1 1 45 45 VAL HG13 H 1 0.952 0.006 . 1 . . . . 46 . . . 6846 1 547 . 1 1 45 45 VAL HG21 H 1 0.952 0.006 . 1 . . . . 46 . . . 6846 1 548 . 1 1 45 45 VAL HG22 H 1 0.952 0.006 . 1 . . . . 46 . . . 6846 1 549 . 1 1 45 45 VAL HG23 H 1 0.952 0.006 . 1 . . . . 46 . . . 6846 1 550 . 1 1 45 45 VAL CG1 C 13 20.755 0.127 . 1 . . . . 46 . . . 6846 1 551 . 1 1 45 45 VAL CG2 C 13 20.779 0.000 . 1 . . . . 46 . . . 6846 1 552 . 1 1 45 45 VAL C C 13 177.933 0.000 . 1 . . . . 46 . . . 6846 1 553 . 1 1 46 46 THR N N 15 118.716 0.019 . 1 . . . . 47 . . . 6846 1 554 . 1 1 46 46 THR H H 1 8.231 0.007 . 1 . . . . 47 . . . 6846 1 555 . 1 1 46 46 THR CA C 13 62.106 0.102 . 1 . . . . 47 . . . 6846 1 556 . 1 1 46 46 THR HA H 1 4.319 0.008 . 1 . . . . 47 . . . 6846 1 557 . 1 1 46 46 THR CB C 13 69.819 0.048 . 1 . . . . 47 . . . 6846 1 558 . 1 1 46 46 THR HB H 1 4.167 0.009 . 1 . . . . 47 . . . 6846 1 559 . 1 1 46 46 THR HG21 H 1 1.202 0.006 . 1 . . . . 47 . . . 6846 1 560 . 1 1 46 46 THR HG22 H 1 1.202 0.006 . 1 . . . . 47 . . . 6846 1 561 . 1 1 46 46 THR HG23 H 1 1.202 0.006 . 1 . . . . 47 . . . 6846 1 562 . 1 1 46 46 THR CG2 C 13 21.822 0.061 . 1 . . . . 47 . . . 6846 1 563 . 1 1 46 46 THR C C 13 175.562 0.000 . 1 . . . . 47 . . . 6846 1 564 . 1 1 47 47 LEU N N 15 125.300 0.039 . 1 . . . . 48 . . . 6846 1 565 . 1 1 47 47 LEU H H 1 8.255 0.009 . 1 . . . . 48 . . . 6846 1 566 . 1 1 47 47 LEU CA C 13 55.362 0.081 . 1 . . . . 48 . . . 6846 1 567 . 1 1 47 47 LEU HA H 1 4.334 0.008 . 1 . . . . 48 . . . 6846 1 568 . 1 1 47 47 LEU CB C 13 42.439 0.046 . 1 . . . . 48 . . . 6846 1 569 . 1 1 47 47 LEU HB2 H 1 1.643 0.004 . 1 . . . . 48 . . . 6846 1 570 . 1 1 47 47 LEU HB3 H 1 1.643 0.004 . 1 . . . . 48 . . . 6846 1 571 . 1 1 47 47 LEU CG C 13 26.885 0.119 . 1 . . . . 48 . . . 6846 1 572 . 1 1 47 47 LEU HG H 1 1.640 0.003 . 1 . . . . 48 . . . 6846 1 573 . 1 1 47 47 LEU HD11 H 1 0.935 0.008 . 2 . . . . 48 . . . 6846 1 574 . 1 1 47 47 LEU HD12 H 1 0.935 0.008 . 2 . . . . 48 . . . 6846 1 575 . 1 1 47 47 LEU HD13 H 1 0.935 0.008 . 2 . . . . 48 . . . 6846 1 576 . 1 1 47 47 LEU HD21 H 1 0.883 0.004 . 2 . . . . 48 . . . 6846 1 577 . 1 1 47 47 LEU HD22 H 1 0.883 0.004 . 2 . . . . 48 . . . 6846 1 578 . 1 1 47 47 LEU HD23 H 1 0.883 0.004 . 2 . . . . 48 . . . 6846 1 579 . 1 1 47 47 LEU CD1 C 13 25.142 0.033 . 1 . . . . 48 . . . 6846 1 580 . 1 1 47 47 LEU CD2 C 13 23.933 0.040 . 1 . . . . 48 . . . 6846 1 581 . 1 1 48 48 LYS N N 15 122.687 0.121 . 1 . . . . 49 . . . 6846 1 582 . 1 1 48 48 LYS H H 1 8.232 0.005 . 1 . . . . 49 . . . 6846 1 583 . 1 1 48 48 LYS CA C 13 56.448 0.136 . 1 . . . . 49 . . . 6846 1 584 . 1 1 48 48 LYS HA H 1 4.249 0.004 . 1 . . . . 49 . . . 6846 1 585 . 1 1 48 48 LYS CB C 13 33.114 0.069 . 1 . . . . 49 . . . 6846 1 586 . 1 1 48 48 LYS HB2 H 1 1.736 0.008 . 1 . . . . 49 . . . 6846 1 587 . 1 1 48 48 LYS HB3 H 1 1.736 0.008 . 1 . . . . 49 . . . 6846 1 588 . 1 1 48 48 LYS CG C 13 24.953 0.061 . 1 . . . . 49 . . . 6846 1 589 . 1 1 48 48 LYS HG2 H 1 1.412 0.007 . 1 . . . . 49 . . . 6846 1 590 . 1 1 48 48 LYS HG3 H 1 1.412 0.007 . 1 . . . . 49 . . . 6846 1 591 . 1 1 48 48 LYS CD C 13 29.222 0.034 . 1 . . . . 49 . . . 6846 1 592 . 1 1 48 48 LYS HD2 H 1 1.683 0.005 . 1 . . . . 49 . . . 6846 1 593 . 1 1 48 48 LYS HD3 H 1 1.683 0.005 . 1 . . . . 49 . . . 6846 1 594 . 1 1 48 48 LYS CE C 13 42.018 0.041 . 1 . . . . 49 . . . 6846 1 595 . 1 1 48 48 LYS HE2 H 1 2.984 0.005 . 1 . . . . 49 . . . 6846 1 596 . 1 1 48 48 LYS HE3 H 1 2.984 0.005 . 1 . . . . 49 . . . 6846 1 597 . 1 1 49 49 LYS N N 15 122.328 0.004 . 1 . . . . 50 . . . 6846 1 598 . 1 1 49 49 LYS H H 1 8.254 0.006 . 1 . . . . 50 . . . 6846 1 599 . 1 1 49 49 LYS CA C 13 56.329 0.073 . 1 . . . . 50 . . . 6846 1 600 . 1 1 49 49 LYS HA H 1 4.275 0.004 . 1 . . . . 50 . . . 6846 1 601 . 1 1 49 49 LYS CB C 13 33.035 0.087 . 1 . . . . 50 . . . 6846 1 602 . 1 1 49 49 LYS HB2 H 1 1.781 0.007 . 1 . . . . 50 . . . 6846 1 603 . 1 1 49 49 LYS HB3 H 1 1.781 0.007 . 1 . . . . 50 . . . 6846 1 604 . 1 1 49 49 LYS CG C 13 24.966 0.054 . 1 . . . . 50 . . . 6846 1 605 . 1 1 49 49 LYS HG2 H 1 1.421 0.005 . 1 . . . . 50 . . . 6846 1 606 . 1 1 49 49 LYS HG3 H 1 1.421 0.005 . 1 . . . . 50 . . . 6846 1 607 . 1 1 49 49 LYS CD C 13 29.235 0.016 . 1 . . . . 50 . . . 6846 1 608 . 1 1 49 49 LYS HD2 H 1 1.686 0.005 . 1 . . . . 50 . . . 6846 1 609 . 1 1 49 49 LYS HD3 H 1 1.686 0.005 . 1 . . . . 50 . . . 6846 1 610 . 1 1 49 49 LYS CE C 13 42.234 0.007 . 1 . . . . 50 . . . 6846 1 611 . 1 1 49 49 LYS HE2 H 1 2.991 0.003 . 1 . . . . 50 . . . 6846 1 612 . 1 1 49 49 LYS HE3 H 1 2.991 0.003 . 1 . . . . 50 . . . 6846 1 613 . 1 1 50 50 ARG N N 15 122.308 0.148 . 1 . . . . 51 . . . 6846 1 614 . 1 1 50 50 ARG H H 1 8.250 0.007 . 1 . . . . 51 . . . 6846 1 615 . 1 1 50 50 ARG CA C 13 56.021 0.103 . 1 . . . . 51 . . . 6846 1 616 . 1 1 50 50 ARG HA H 1 4.287 0.010 . 1 . . . . 51 . . . 6846 1 617 . 1 1 50 50 ARG CB C 13 31.080 0.038 . 1 . . . . 51 . . . 6846 1 618 . 1 1 50 50 ARG HB2 H 1 1.729 0.008 . 1 . . . . 51 . . . 6846 1 619 . 1 1 50 50 ARG HB3 H 1 1.729 0.008 . 1 . . . . 51 . . . 6846 1 620 . 1 1 50 50 ARG CG C 13 27.366 0.051 . 1 . . . . 51 . . . 6846 1 621 . 1 1 50 50 ARG HG2 H 1 1.538 0.011 . 1 . . . . 51 . . . 6846 1 622 . 1 1 50 50 ARG HG3 H 1 1.538 0.011 . 1 . . . . 51 . . . 6846 1 623 . 1 1 50 50 ARG CD C 13 43.406 0.012 . 1 . . . . 51 . . . 6846 1 624 . 1 1 50 50 ARG HD2 H 1 3.149 0.005 . 1 . . . . 51 . . . 6846 1 625 . 1 1 50 50 ARG HD3 H 1 3.149 0.005 . 1 . . . . 51 . . . 6846 1 626 . 1 1 50 50 ARG C C 13 177.116 0.000 . 1 . . . . 51 . . . 6846 1 627 . 1 1 51 51 PHE N N 15 121.259 0.000 . 1 . . . . 52 . . . 6846 1 628 . 1 1 51 51 PHE H H 1 8.287 0.003 . 1 . . . . 52 . . . 6846 1 629 . 1 1 51 51 PHE CA C 13 57.688 0.100 . 1 . . . . 52 . . . 6846 1 630 . 1 1 51 51 PHE HA H 1 4.642 0.012 . 1 . . . . 52 . . . 6846 1 631 . 1 1 51 51 PHE CB C 13 39.837 0.114 . 1 . . . . 52 . . . 6846 1 632 . 1 1 51 51 PHE HB2 H 1 3.171 0.017 . 2 . . . . 52 . . . 6846 1 633 . 1 1 51 51 PHE HB3 H 1 3.017 0.009 . 2 . . . . 52 . . . 6846 1 634 . 1 1 51 51 PHE HD1 H 1 7.262 0.009 . 1 . . . . 52 . . . 6846 1 635 . 1 1 51 51 PHE HE1 H 1 7.338 0.005 . 1 . . . . 52 . . . 6846 1 636 . 1 1 51 51 PHE HE2 H 1 7.338 0.005 . 1 . . . . 52 . . . 6846 1 637 . 1 1 51 51 PHE HD2 H 1 7.262 0.009 . 1 . . . . 52 . . . 6846 1 638 . 1 1 51 51 PHE C C 13 177.275 0.000 . 1 . . . . 52 . . . 6846 1 639 . 1 1 52 52 GLY N N 15 110.476 0.040 . 1 . . . . 53 . . . 6846 1 640 . 1 1 52 52 GLY H H 1 8.303 0.002 . 1 . . . . 53 . . . 6846 1 641 . 1 1 52 52 GLY CA C 13 45.284 0.026 . 1 . . . . 53 . . . 6846 1 642 . 1 1 52 52 GLY HA2 H 1 3.895 0.006 . 1 . . . . 53 . . . 6846 1 643 . 1 1 52 52 GLY HA3 H 1 3.895 0.006 . 1 . . . . 53 . . . 6846 1 644 . 1 1 52 52 GLY C C 13 174.779 0.000 . 1 . . . . 53 . . . 6846 1 645 . 1 1 53 53 LEU N N 15 121.801 0.031 . 1 . . . . 54 . . . 6846 1 646 . 1 1 53 53 LEU H H 1 8.043 0.004 . 1 . . . . 54 . . . 6846 1 647 . 1 1 53 53 LEU CA C 13 55.008 0.014 . 1 . . . . 54 . . . 6846 1 648 . 1 1 53 53 LEU HA H 1 4.371 0.008 . 1 . . . . 54 . . . 6846 1 649 . 1 1 53 53 LEU CB C 13 42.576 0.021 . 1 . . . . 54 . . . 6846 1 650 . 1 1 53 53 LEU HB2 H 1 1.567 0.010 . 1 . . . . 54 . . . 6846 1 651 . 1 1 53 53 LEU HB3 H 1 1.567 0.010 . 1 . . . . 54 . . . 6846 1 652 . 1 1 53 53 LEU CG C 13 26.945 0.011 . 1 . . . . 54 . . . 6846 1 653 . 1 1 53 53 LEU HG H 1 1.583 0.004 . 1 . . . . 54 . . . 6846 1 654 . 1 1 53 53 LEU HD11 H 1 0.922 0.004 . 2 . . . . 54 . . . 6846 1 655 . 1 1 53 53 LEU HD12 H 1 0.922 0.004 . 2 . . . . 54 . . . 6846 1 656 . 1 1 53 53 LEU HD13 H 1 0.922 0.004 . 2 . . . . 54 . . . 6846 1 657 . 1 1 53 53 LEU HD21 H 1 0.859 0.008 . 2 . . . . 54 . . . 6846 1 658 . 1 1 53 53 LEU HD22 H 1 0.859 0.008 . 2 . . . . 54 . . . 6846 1 659 . 1 1 53 53 LEU HD23 H 1 0.859 0.008 . 2 . . . . 54 . . . 6846 1 660 . 1 1 53 53 LEU CD1 C 13 24.698 0.048 . 1 . . . . 54 . . . 6846 1 661 . 1 1 53 53 LEU CD2 C 13 23.730 0.075 . 1 . . . . 54 . . . 6846 1 662 . 1 1 53 53 LEU C C 13 177.717 0.000 . 1 . . . . 54 . . . 6846 1 663 . 1 1 54 54 VAL N N 15 123.425 0.061 . 1 . . . . 55 . . . 6846 1 664 . 1 1 54 54 VAL H H 1 8.231 0.004 . 1 . . . . 55 . . . 6846 1 665 . 1 1 54 54 VAL CA C 13 59.893 0.084 . 1 . . . . 55 . . . 6846 1 666 . 1 1 54 54 VAL HA H 1 4.414 0.009 . 1 . . . . 55 . . . 6846 1 667 . 1 1 54 54 VAL CB C 13 32.763 0.174 . 1 . . . . 55 . . . 6846 1 668 . 1 1 54 54 VAL HB H 1 2.062 0.010 . 1 . . . . 55 . . . 6846 1 669 . 1 1 54 54 VAL HG11 H 1 0.944 0.005 . 1 . . . . 55 . . . 6846 1 670 . 1 1 54 54 VAL HG12 H 1 0.944 0.005 . 1 . . . . 55 . . . 6846 1 671 . 1 1 54 54 VAL HG13 H 1 0.944 0.005 . 1 . . . . 55 . . . 6846 1 672 . 1 1 54 54 VAL HG21 H 1 0.944 0.005 . 1 . . . . 55 . . . 6846 1 673 . 1 1 54 54 VAL HG22 H 1 0.944 0.005 . 1 . . . . 55 . . . 6846 1 674 . 1 1 54 54 VAL HG23 H 1 0.944 0.005 . 1 . . . . 55 . . . 6846 1 675 . 1 1 54 54 VAL CG1 C 13 20.823 0.145 . 1 . . . . 55 . . . 6846 1 676 . 1 1 54 54 VAL CG2 C 13 20.501 0.000 . 1 . . . . 55 . . . 6846 1 677 . 1 1 55 55 PRO CD C 13 51.040 0.099 . 1 . . . . 56 . . . 6846 1 678 . 1 1 55 55 PRO CA C 13 63.553 0.059 . 1 . . . . 56 . . . 6846 1 679 . 1 1 55 55 PRO HA H 1 4.398 0.006 . 1 . . . . 56 . . . 6846 1 680 . 1 1 55 55 PRO CB C 13 32.227 0.119 . 1 . . . . 56 . . . 6846 1 681 . 1 1 55 55 PRO HB2 H 1 2.306 0.006 . 2 . . . . 56 . . . 6846 1 682 . 1 1 55 55 PRO HB3 H 1 1.930 0.017 . 2 . . . . 56 . . . 6846 1 683 . 1 1 55 55 PRO CG C 13 27.659 0.048 . 1 . . . . 56 . . . 6846 1 684 . 1 1 55 55 PRO HG2 H 1 2.066 0.009 . 2 . . . . 56 . . . 6846 1 685 . 1 1 55 55 PRO HG3 H 1 1.969 0.013 . 2 . . . . 56 . . . 6846 1 686 . 1 1 55 55 PRO HD2 H 1 3.884 0.005 . 2 . . . . 56 . . . 6846 1 687 . 1 1 55 55 PRO HD3 H 1 3.706 0.006 . 2 . . . . 56 . . . 6846 1 688 . 1 1 55 55 PRO C C 13 178.754 0.000 . 1 . . . . 56 . . . 6846 1 689 . 1 1 56 56 GLY N N 15 109.350 0.036 . 1 . . . . 57 . . . 6846 1 690 . 1 1 56 56 GLY H H 1 8.488 0.006 . 1 . . . . 57 . . . 6846 1 691 . 1 1 56 56 GLY CA C 13 45.322 0.044 . 1 . . . . 57 . . . 6846 1 692 . 1 1 56 56 GLY HA2 H 1 3.926 0.008 . 1 . . . . 57 . . . 6846 1 693 . 1 1 56 56 GLY HA3 H 1 3.926 0.008 . 1 . . . . 57 . . . 6846 1 694 . 1 1 56 56 GLY C C 13 175.324 0.000 . 1 . . . . 57 . . . 6846 1 695 . 1 1 57 57 GLN N N 15 119.345 0.072 . 1 . . . . 58 . . . 6846 1 696 . 1 1 57 57 GLN H H 1 8.123 0.007 . 1 . . . . 58 . . . 6846 1 697 . 1 1 57 57 GLN CA C 13 55.690 0.000 . 1 . . . . 58 . . . 6846 1 698 . 1 1 57 57 GLN HA H 1 4.256 0.006 . 1 . . . . 58 . . . 6846 1 699 . 1 1 57 57 GLN CB C 13 29.468 0.097 . 1 . . . . 58 . . . 6846 1 700 . 1 1 57 57 GLN HB2 H 1 1.983 0.009 . 2 . . . . 58 . . . 6846 1 701 . 1 1 57 57 GLN HB3 H 1 1.878 0.008 . 2 . . . . 58 . . . 6846 1 702 . 1 1 57 57 GLN CG C 13 33.881 0.063 . 1 . . . . 58 . . . 6846 1 703 . 1 1 57 57 GLN HG2 H 1 2.276 0.006 . 1 . . . . 58 . . . 6846 1 704 . 1 1 57 57 GLN HG3 H 1 2.276 0.006 . 1 . . . . 58 . . . 6846 1 705 . 1 1 57 57 GLN NE2 N 15 112.257 0.000 . 1 . . . . 58 . . . 6846 1 706 . 1 1 57 57 GLN HE21 H 1 6.863 0.003 . 2 . . . . 58 . . . 6846 1 707 . 1 1 57 57 GLN HE22 H 1 7.518 0.010 . 2 . . . . 58 . . . 6846 1 stop_ save_