data_17761 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17761 _Entry.Title ; Backbone 1H, 13C, 15N and 13CB assignment of N-terminal Domain of Ribosomal Protein L9 (NTL9) Denatured State in 8.3M Urea ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-05 _Entry.Accession_date 2011-07-05 _Entry.Last_release_date 2012-09-20 _Entry.Original_release_date 2012-09-20 _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 _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 Wenli Meng . . . 17761 2 Daniel Raleigh . . . 17761 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17761 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 161 17761 '15N chemical shifts' 54 17761 '1H chemical shifts' 108 17761 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 . . 2012-09-20 2011-07-05 original author . 17761 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17761 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21915914 _Citation.Full_citation . _Citation.Title 'Analysis of electrostatic interactions in the denatured state ensemble of the N-terminal domain of L9 under native conditions.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 79 _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 3500 _Citation.Page_last 3510 _Citation.Year 2011 _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 Wenli Meng . . . 17761 1 2 Daniel Raleigh . P. . 17761 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17761 _Assembly.ID 1 _Assembly.Name NTL9 _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 . _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 'N-terminal Domain of the Ribosomal Protein L9' 1 $NTL9 A . yes denatured no yes . . . 17761 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NTL9 _Entity.Sf_category entity _Entity.Sf_framecode NTL9 _Entity.Entry_ID 17761 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal Domain of the Ribosomal Protein L9' _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 ; MKVIFLKDVKGKGKKGEIKN VADGYANNFLFKQGLAIEAT PANLKALEAQKQKEQR ; _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 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-11-25 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 BMRB 17460 . L9 . . . . . 100.00 149 100.00 100.00 2.69e-29 . . . . 17761 1 2 no BMRB 17506 . NTL9 . . . . . 100.00 56 100.00 100.00 2.03e-29 . . . . 17761 1 3 no BMRB 4551 . "50S RIBOSOMAL PROTEIN L9" . . . . . 100.00 56 100.00 100.00 2.03e-29 . . . . 17761 1 4 no PDB 1CQU . "Solution Structure Of The N-Terminal Domain Of Ribosomal Protein L9" . . . . . 100.00 56 100.00 100.00 2.03e-29 . . . . 17761 1 5 no PDB 1DIV . "Ribosomal Protein L9" . . . . . 100.00 149 100.00 100.00 2.69e-29 . . . . 17761 1 6 no PDB 1GIY . "Crystal Structure Of The Ribosome At 5.5 A Resolution. This File, 1giy, Contains The 50s Ribosome Subunit. The 30s Ribosome Sub" . . . . . 100.00 149 100.00 100.00 2.69e-29 . . . . 17761 1 7 no PDB 1YL3 . "Crystal Structure Of 70s Ribosome With Thrs Operator And Trnas. Large Subunit. The Coordinates For The Small Subunit Are In The" . . . . . 100.00 149 100.00 100.00 2.69e-29 . . . . 17761 1 8 no PDB 2B66 . "50s Ribosomal Subunit From A Crystal Structure Of Release Factor Rf1, Trnas And Mrna Bound To The Ribosome. This File Contains " . . . . . 100.00 149 100.00 100.00 2.69e-29 . . . . 17761 1 9 no PDB 2B9N . "50s Ribosomal Subunit From A Crystal Structure Of Release Factor Rf2, Trnas And Mrna Bound To The Ribosome. This File Contains " . . . . . 100.00 149 100.00 100.00 2.69e-29 . . . . 17761 1 10 no PDB 2B9P . "50s Ribosomal Subunit From A Crystal Structure Of The Ribosome In Complex With Trnas And Mrna With A Stop Codon In The A-Site. " . . . . . 100.00 149 100.00 100.00 2.69e-29 . . . . 17761 1 11 no PDB 2HBA . "Crystal Structure Of N-terminal Domain Of Ribosomal Protein L9 (ntl9) K12m" . . . . . 92.86 52 98.08 98.08 1.11e-25 . . . . 17761 1 12 no PDB 2HBB . "Crystal Structure Of The N-terminal Domain Of Ribosomal Protein L9 (ntl9)" . . . . . 91.07 51 100.00 100.00 1.32e-25 . . . . 17761 1 13 no PDB 2HVF . "Crystal Structure Of N-terminal Domain Of Ribosomal Protein L9 (ntl9), G34da" . . . . . 92.86 52 98.08 98.08 2.26e-25 . . . . 17761 1 14 no PDB 487D . "Seven Ribosomal Proteins Fitted To A Cryo-Electron Microscopic Map Of The Large 50s Subunit At 7.5 Angstroms Resolution" . . . . . 100.00 149 100.00 100.00 2.69e-29 . . . . 17761 1 15 no EMBL CAA43972 . "ribosomal protein L9 [Geobacillus stearothermophilus]" . . . . . 100.00 148 100.00 100.00 2.74e-29 . . . . 17761 1 16 no GB AAA22701 . "ribosomal protein L9 [Geobacillus stearothermophilus]" . . . . . 100.00 149 98.21 98.21 2.34e-28 . . . . 17761 1 17 no GB ABO68755 . "Ribosomal protein L9 [Geobacillus thermodenitrificans NG80-2]" . . . . . 100.00 149 100.00 100.00 3.20e-29 . . . . 17761 1 18 no GB AGT33858 . "50S ribosomal protein L9 [Geobacillus sp. JF8]" . . . . . 100.00 149 100.00 100.00 3.34e-29 . . . . 17761 1 19 no GB AKM20686 . "50S ribosomal protein L9 [Geobacillus sp. 12AMOR1]" . . . . . 100.00 149 100.00 100.00 2.69e-29 . . . . 17761 1 20 no GB AKU26730 . "50S ribosomal protein L9 [Geobacillus sp. LC300]" . . . . . 100.00 149 98.21 98.21 9.57e-29 . . . . 17761 1 21 no PRF 0701226A . "ribosomal protein L17" . . . . . 100.00 147 98.21 98.21 1.30e-26 . . . . 17761 1 22 no PRF 1714237A . "ribosomal protein L9" . . . . . 100.00 148 100.00 100.00 2.74e-29 . . . . 17761 1 23 no REF WP_008880809 . "MULTISPECIES: 50S ribosomal protein L9 [Geobacillus]" . . . . . 100.00 149 100.00 100.00 2.66e-29 . . . . 17761 1 24 no REF WP_011888453 . "50S ribosomal protein L9 [Geobacillus thermodenitrificans]" . . . . . 100.00 149 100.00 100.00 3.20e-29 . . . . 17761 1 25 no REF WP_020961638 . "50S ribosomal protein L9 [Geobacillus sp. JF8]" . . . . . 100.00 149 100.00 100.00 3.34e-29 . . . . 17761 1 26 no REF WP_033008865 . "MULTISPECIES: 50S ribosomal protein L9 [Bacillaceae]" . . . . . 100.00 149 100.00 100.00 2.69e-29 . . . . 17761 1 27 no REF WP_050368025 . "50S ribosomal protein L9 [Geobacillus sp. LC300]" . . . . . 100.00 149 98.21 98.21 9.57e-29 . . . . 17761 1 28 no SP A4ITV1 . "RecName: Full=50S ribosomal protein L9" . . . . . 100.00 149 100.00 100.00 3.20e-29 . . . . 17761 1 29 no SP P02417 . "RecName: Full=50S ribosomal protein L9; AltName: Full=BL17" . . . . . 100.00 149 100.00 100.00 2.69e-29 . . . . 17761 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17761 1 2 . LYS . 17761 1 3 . VAL . 17761 1 4 . ILE . 17761 1 5 . PHE . 17761 1 6 . LEU . 17761 1 7 . LYS . 17761 1 8 . ASP . 17761 1 9 . VAL . 17761 1 10 . LYS . 17761 1 11 . GLY . 17761 1 12 . LYS . 17761 1 13 . GLY . 17761 1 14 . LYS . 17761 1 15 . LYS . 17761 1 16 . GLY . 17761 1 17 . GLU . 17761 1 18 . ILE . 17761 1 19 . LYS . 17761 1 20 . ASN . 17761 1 21 . VAL . 17761 1 22 . ALA . 17761 1 23 . ASP . 17761 1 24 . GLY . 17761 1 25 . TYR . 17761 1 26 . ALA . 17761 1 27 . ASN . 17761 1 28 . ASN . 17761 1 29 . PHE . 17761 1 30 . LEU . 17761 1 31 . PHE . 17761 1 32 . LYS . 17761 1 33 . GLN . 17761 1 34 . GLY . 17761 1 35 . LEU . 17761 1 36 . ALA . 17761 1 37 . ILE . 17761 1 38 . GLU . 17761 1 39 . ALA . 17761 1 40 . THR . 17761 1 41 . PRO . 17761 1 42 . ALA . 17761 1 43 . ASN . 17761 1 44 . LEU . 17761 1 45 . LYS . 17761 1 46 . ALA . 17761 1 47 . LEU . 17761 1 48 . GLU . 17761 1 49 . ALA . 17761 1 50 . GLN . 17761 1 51 . LYS . 17761 1 52 . GLN . 17761 1 53 . LYS . 17761 1 54 . GLU . 17761 1 55 . GLN . 17761 1 56 . ARG . 17761 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17761 1 . LYS 2 2 17761 1 . VAL 3 3 17761 1 . ILE 4 4 17761 1 . PHE 5 5 17761 1 . LEU 6 6 17761 1 . LYS 7 7 17761 1 . ASP 8 8 17761 1 . VAL 9 9 17761 1 . LYS 10 10 17761 1 . GLY 11 11 17761 1 . LYS 12 12 17761 1 . GLY 13 13 17761 1 . LYS 14 14 17761 1 . LYS 15 15 17761 1 . GLY 16 16 17761 1 . GLU 17 17 17761 1 . ILE 18 18 17761 1 . LYS 19 19 17761 1 . ASN 20 20 17761 1 . VAL 21 21 17761 1 . ALA 22 22 17761 1 . ASP 23 23 17761 1 . GLY 24 24 17761 1 . TYR 25 25 17761 1 . ALA 26 26 17761 1 . ASN 27 27 17761 1 . ASN 28 28 17761 1 . PHE 29 29 17761 1 . LEU 30 30 17761 1 . PHE 31 31 17761 1 . LYS 32 32 17761 1 . GLN 33 33 17761 1 . GLY 34 34 17761 1 . LEU 35 35 17761 1 . ALA 36 36 17761 1 . ILE 37 37 17761 1 . GLU 38 38 17761 1 . ALA 39 39 17761 1 . THR 40 40 17761 1 . PRO 41 41 17761 1 . ALA 42 42 17761 1 . ASN 43 43 17761 1 . LEU 44 44 17761 1 . LYS 45 45 17761 1 . ALA 46 46 17761 1 . LEU 47 47 17761 1 . GLU 48 48 17761 1 . ALA 49 49 17761 1 . GLN 50 50 17761 1 . LYS 51 51 17761 1 . GLN 52 52 17761 1 . LYS 53 53 17761 1 . GLU 54 54 17761 1 . GLN 55 55 17761 1 . ARG 56 56 17761 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 17761 _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 $NTL9 . 1422 organism . 'Geobacillus stearothermophilus' 'Geobacillus stearothermophilus' . . Bacteria . Geobacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 17761 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 17761 _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 $NTL9 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET3a . . . . . . 17761 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17761 _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 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17761 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 17761 1 3 urea 'natural abundance' . . . . . . 8.3 . . M . . . . 17761 1 4 DSS 'natural abundance' . . . . . . 0.4 . . mM . . . . 17761 1 5 'N-terminal Domain of the Ribosomal Protein L9' '[U-100% 13C; U-100% 15N]' . . 1 $NTL9 . . 1 . . mM . . . . 17761 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17761 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17761 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17761 _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 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17761 2 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 17761 2 3 urea 'natural abundance' . . . . . . 8.3 . . M . . . . 17761 2 4 DSS 'natural abundance' . . . . . . 0.4 . . mM . . . . 17761 2 5 'N-terminal Domain of the Ribosomal Protein L9' '[U-100% 15N]' . . 1 $NTL9 . . 1 . . mM . . . . 17761 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17761 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17761 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17761 _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' 0.12 . M 17761 1 pH 5.5 . pH 17761 1 pressure 1 . atm 17761 1 temperature 285 . K 17761 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17761 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17761 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17761 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 17761 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17761 _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 . 500 . . . 17761 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 17761 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17761 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17761 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17761 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17761 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17761 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 17761 _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 internal indirect 0.251449519 . . . . . . . . . 17761 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 17761 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329112 . . . . . . . . . 17761 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 17761 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 17761 1 2 '3D CBCA(CO)NH' . . . 17761 1 3 '2D 1H-15N HSQC' . . . 17761 1 4 '3D HNCO' . . . 17761 1 5 '3D 1H-15N TOCSY' . . . 17761 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 MET C C 13 172.34 0.20 . 1 . . . . 1 MET C . 17761 1 2 . 1 1 1 1 MET CA C 13 55.22 0.20 . 1 . . . . 1 MET CA . 17761 1 3 . 1 1 1 1 MET CB C 13 33.22 0.20 . 1 . . . . 1 MET CB . 17761 1 4 . 1 1 2 2 LYS H H 1 8.95 0.03 . 1 . . . . 2 LYS H . 17761 1 5 . 1 1 2 2 LYS HA H 1 4.43 0.03 . 1 . . . . 2 LYS HA . 17761 1 6 . 1 1 2 2 LYS C C 13 175.93 0.20 . 1 . . . . 2 LYS C . 17761 1 7 . 1 1 2 2 LYS CA C 13 56.52 0.20 . 1 . . . . 2 LYS CA . 17761 1 8 . 1 1 2 2 LYS CB C 13 33.54 0.20 . 1 . . . . 2 LYS CB . 17761 1 9 . 1 1 2 2 LYS N N 15 125.65 0.20 . 1 . . . . 2 LYS N . 17761 1 10 . 1 1 3 3 VAL H H 1 8.55 0.03 . 1 . . . . 3 VAL H . 17761 1 11 . 1 1 3 3 VAL HA H 1 4.04 0.03 . 1 . . . . 3 VAL HA . 17761 1 12 . 1 1 3 3 VAL C C 13 175.68 0.20 . 1 . . . . 3 VAL C . 17761 1 13 . 1 1 3 3 VAL CA C 13 62.54 0.20 . 1 . . . . 3 VAL CA . 17761 1 14 . 1 1 3 3 VAL CB C 13 32.99 0.20 . 1 . . . . 3 VAL CB . 17761 1 15 . 1 1 3 3 VAL N N 15 124.47 0.20 . 1 . . . . 3 VAL N . 17761 1 16 . 1 1 4 4 ILE H H 1 8.37 0.03 . 1 . . . . 4 ILE H . 17761 1 17 . 1 1 4 4 ILE HA H 1 4.17 0.03 . 1 . . . . 4 ILE HA . 17761 1 18 . 1 1 4 4 ILE C C 13 175.63 0.20 . 1 . . . . 4 ILE C . 17761 1 19 . 1 1 4 4 ILE CA C 13 60.50 0.20 . 1 . . . . 4 ILE CA . 17761 1 20 . 1 1 4 4 ILE CB C 13 39.04 0.20 . 1 . . . . 4 ILE CB . 17761 1 21 . 1 1 4 4 ILE N N 15 126.14 0.20 . 1 . . . . 4 ILE N . 17761 1 22 . 1 1 5 5 PHE H H 1 8.57 0.03 . 1 . . . . 5 PHE H . 17761 1 23 . 1 1 5 5 PHE HA H 1 4.70 0.03 . 1 . . . . 5 PHE HA . 17761 1 24 . 1 1 5 5 PHE C C 13 175.65 0.20 . 1 . . . . 5 PHE C . 17761 1 25 . 1 1 5 5 PHE CA C 13 57.40 0.20 . 1 . . . . 5 PHE CA . 17761 1 26 . 1 1 5 5 PHE CB C 13 39.78 0.20 . 1 . . . . 5 PHE CB . 17761 1 27 . 1 1 5 5 PHE N N 15 125.96 0.20 . 1 . . . . 5 PHE N . 17761 1 28 . 1 1 6 6 LEU H H 1 8.57 0.03 . 1 . . . . 6 LEU H . 17761 1 29 . 1 1 6 6 LEU HA H 1 4.39 0.03 . 1 . . . . 6 LEU HA . 17761 1 30 . 1 1 6 6 LEU C C 13 177.13 0.20 . 1 . . . . 6 LEU C . 17761 1 31 . 1 1 6 6 LEU CA C 13 54.95 0.20 . 1 . . . . 6 LEU CA . 17761 1 32 . 1 1 6 6 LEU CB C 13 42.75 0.20 . 1 . . . . 6 LEU CB . 17761 1 33 . 1 1 6 6 LEU N N 15 125.64 0.20 . 1 . . . . 6 LEU N . 17761 1 34 . 1 1 7 7 LYS H H 1 8.55 0.03 . 1 . . . . 7 LYS H . 17761 1 35 . 1 1 7 7 LYS HA H 1 4.27 0.03 . 1 . . . . 7 LYS HA . 17761 1 36 . 1 1 7 7 LYS C C 13 176.33 0.20 . 1 . . . . 7 LYS C . 17761 1 37 . 1 1 7 7 LYS CA C 13 56.53 0.20 . 1 . . . . 7 LYS CA . 17761 1 38 . 1 1 7 7 LYS CB C 13 33.61 0.20 . 1 . . . . 7 LYS CB . 17761 1 39 . 1 1 7 7 LYS N N 15 122.83 0.20 . 1 . . . . 7 LYS N . 17761 1 40 . 1 1 8 8 ASP H H 1 8.58 0.03 . 1 . . . . 8 ASP H . 17761 1 41 . 1 1 8 8 ASP HA H 1 4.66 0.03 . 1 . . . . 8 ASP HA . 17761 1 42 . 1 1 8 8 ASP C C 13 176.27 0.20 . 1 . . . . 8 ASP C . 17761 1 43 . 1 1 8 8 ASP CA C 13 54.06 0.20 . 1 . . . . 8 ASP CA . 17761 1 44 . 1 1 8 8 ASP CB C 13 41.23 0.20 . 1 . . . . 8 ASP CB . 17761 1 45 . 1 1 8 8 ASP N N 15 122.13 0.20 . 1 . . . . 8 ASP N . 17761 1 46 . 1 1 9 9 VAL H H 1 8.25 0.03 . 1 . . . . 9 VAL H . 17761 1 47 . 1 1 9 9 VAL HA H 1 4.15 0.03 . 1 . . . . 9 VAL HA . 17761 1 48 . 1 1 9 9 VAL C C 13 176.37 0.20 . 1 . . . . 9 VAL C . 17761 1 49 . 1 1 9 9 VAL CA C 13 62.40 0.20 . 1 . . . . 9 VAL CA . 17761 1 50 . 1 1 9 9 VAL CB C 13 32.78 0.20 . 1 . . . . 9 VAL CB . 17761 1 51 . 1 1 9 9 VAL N N 15 121.08 0.20 . 1 . . . . 9 VAL N . 17761 1 52 . 1 1 10 10 LYS H H 1 8.53 0.03 . 1 . . . . 10 LYS H . 17761 1 53 . 1 1 10 10 LYS HA H 1 4.32 0.03 . 1 . . . . 10 LYS HA . 17761 1 54 . 1 1 10 10 LYS C C 13 177.30 0.20 . 1 . . . . 10 LYS C . 17761 1 55 . 1 1 10 10 LYS CA C 13 56.59 0.20 . 1 . . . . 10 LYS CA . 17761 1 56 . 1 1 10 10 LYS CB C 13 33.32 0.20 . 1 . . . . 10 LYS CB . 17761 1 57 . 1 1 10 10 LYS N N 15 125.14 0.20 . 1 . . . . 10 LYS N . 17761 1 58 . 1 1 11 11 GLY H H 1 8.52 0.03 . 1 . . . . 11 GLY H . 17761 1 59 . 1 1 11 11 GLY HA2 H 1 4.00 0.03 . . . . . . 11 GLY HA2 . 17761 1 60 . 1 1 11 11 GLY C C 13 174.12 0.20 . 1 . . . . 11 GLY C . 17761 1 61 . 1 1 11 11 GLY CA C 13 45.34 0.20 . 1 . . . . 11 GLY CA . 17761 1 62 . 1 1 11 11 GLY N N 15 110.42 0.20 . 1 . . . . 11 GLY N . 17761 1 63 . 1 1 12 12 LYS H H 1 8.39 0.03 . 1 . . . . 12 LYS H . 17761 1 64 . 1 1 12 12 LYS HA H 1 4.37 0.03 . 1 . . . . 12 LYS HA . 17761 1 65 . 1 1 12 12 LYS C C 13 177.31 0.20 . 1 . . . . 12 LYS C . 17761 1 66 . 1 1 12 12 LYS CA C 13 56.38 0.20 . 1 . . . . 12 LYS CA . 17761 1 67 . 1 1 12 12 LYS CB C 13 33.67 0.20 . 1 . . . . 12 LYS CB . 17761 1 68 . 1 1 12 12 LYS N N 15 121.05 0.20 . 1 . . . . 12 LYS N . 17761 1 69 . 1 1 13 13 GLY H H 1 8.57 0.03 . 1 . . . . 13 GLY H . 17761 1 70 . 1 1 13 13 GLY HA2 H 1 4.00 0.03 . . . . . . 13 GLY HA2 . 17761 1 71 . 1 1 13 13 GLY C C 13 174.04 0.20 . 1 . . . . 13 GLY C . 17761 1 72 . 1 1 13 13 GLY CA C 13 45.08 0.20 . 1 . . . . 13 GLY CA . 17761 1 73 . 1 1 13 13 GLY N N 15 110.14 0.20 . 1 . . . . 13 GLY N . 17761 1 74 . 1 1 14 14 LYS H H 1 8.42 0.03 . 1 . . . . 14 LYS H . 17761 1 75 . 1 1 14 14 LYS HA H 1 4.35 0.03 . 1 . . . . 14 LYS HA . 17761 1 76 . 1 1 14 14 LYS C C 13 176.98 0.20 . 1 . . . . 14 LYS C . 17761 1 77 . 1 1 14 14 LYS CA C 13 56.41 0.20 . 1 . . . . 14 LYS CA . 17761 1 78 . 1 1 14 14 LYS CB C 13 33.73 0.20 . 1 . . . . 14 LYS CB . 17761 1 79 . 1 1 14 14 LYS N N 15 121.52 0.20 . 1 . . . . 14 LYS N . 17761 1 80 . 1 1 15 15 LYS H H 1 8.66 0.03 . 1 . . . . 15 LYS H . 17761 1 81 . 1 1 15 15 LYS HA H 1 4.30 0.03 . 1 . . . . 15 LYS HA . 17761 1 82 . 1 1 15 15 LYS C C 13 177.29 0.20 . 1 . . . . 15 LYS C . 17761 1 83 . 1 1 15 15 LYS CA C 13 56.88 0.20 . 1 . . . . 15 LYS CA . 17761 1 84 . 1 1 15 15 LYS CB C 13 33.41 0.20 . 1 . . . . 15 LYS CB . 17761 1 85 . 1 1 15 15 LYS N N 15 123.72 0.20 . 1 . . . . 15 LYS N . 17761 1 86 . 1 1 16 16 GLY H H 1 8.59 0.03 . 1 . . . . 16 GLY H . 17761 1 87 . 1 1 16 16 GLY HA2 H 1 3.98 0.03 . . . . . . 16 GLY HA2 . 17761 1 88 . 1 1 16 16 GLY C C 13 173.88 0.20 . 1 . . . . 16 GLY C . 17761 1 89 . 1 1 16 16 GLY CA C 13 45.28 0.20 . 1 . . . . 16 GLY CA . 17761 1 90 . 1 1 16 16 GLY N N 15 110.88 0.20 . 1 . . . . 16 GLY N . 17761 1 91 . 1 1 17 17 GLU H H 1 8.35 0.03 . 1 . . . . 17 GLU H . 17761 1 92 . 1 1 17 17 GLU HA H 1 4.31 0.03 . 1 . . . . 17 GLU HA . 17761 1 93 . 1 1 17 17 GLU C C 13 176.47 0.20 . 1 . . . . 17 GLU C . 17761 1 94 . 1 1 17 17 GLU CA C 13 56.18 0.20 . 1 . . . . 17 GLU CA . 17761 1 95 . 1 1 17 17 GLU CB C 13 30.09 0.20 . 1 . . . . 17 GLU CB . 17761 1 96 . 1 1 17 17 GLU N N 15 120.93 0.20 . 1 . . . . 17 GLU N . 17761 1 97 . 1 1 18 18 ILE H H 1 8.49 0.03 . 1 . . . . 18 ILE H . 17761 1 98 . 1 1 18 18 ILE HA H 1 4.18 0.03 . 1 . . . . 18 ILE HA . 17761 1 99 . 1 1 18 18 ILE C C 13 176.27 0.20 . 1 . . . . 18 ILE C . 17761 1 100 . 1 1 18 18 ILE CA C 13 61.06 0.20 . 1 . . . . 18 ILE CA . 17761 1 101 . 1 1 18 18 ILE CB C 13 38.64 0.20 . 1 . . . . 18 ILE CB . 17761 1 102 . 1 1 18 18 ILE N N 15 123.59 0.20 . 1 . . . . 18 ILE N . 17761 1 103 . 1 1 19 19 LYS H H 1 8.62 0.03 . 1 . . . . 19 LYS H . 17761 1 104 . 1 1 19 19 LYS HA H 1 4.39 0.03 . 1 . . . . 19 LYS HA . 17761 1 105 . 1 1 19 19 LYS C C 13 176.19 0.20 . 1 . . . . 19 LYS C . 17761 1 106 . 1 1 19 19 LYS CA C 13 56.18 0.20 . 1 . . . . 19 LYS CA . 17761 1 107 . 1 1 19 19 LYS CB C 13 33.70 0.20 . 1 . . . . 19 LYS CB . 17761 1 108 . 1 1 19 19 LYS N N 15 126.75 0.20 . 1 . . . . 19 LYS N . 17761 1 109 . 1 1 20 20 ASN H H 1 8.72 0.03 . 1 . . . . 20 ASN H . 17761 1 110 . 1 1 20 20 ASN HA H 1 4.78 0.03 . 1 . . . . 20 ASN HA . 17761 1 111 . 1 1 20 20 ASN C C 13 175.38 0.20 . 1 . . . . 20 ASN C . 17761 1 112 . 1 1 20 20 ASN CA C 13 53.38 0.20 . 1 . . . . 20 ASN CA . 17761 1 113 . 1 1 20 20 ASN CB C 13 39.06 0.20 . 1 . . . . 20 ASN CB . 17761 1 114 . 1 1 20 20 ASN N N 15 121.55 0.20 . 1 . . . . 20 ASN N . 17761 1 115 . 1 1 21 21 VAL H H 1 8.31 0.03 . 1 . . . . 21 VAL H . 17761 1 116 . 1 1 21 21 VAL HA H 1 4.14 0.03 . 1 . . . . 21 VAL HA . 17761 1 117 . 1 1 21 21 VAL C C 13 175.95 0.20 . 1 . . . . 21 VAL C . 17761 1 118 . 1 1 21 21 VAL CA C 13 62.43 0.20 . 1 . . . . 21 VAL CA . 17761 1 119 . 1 1 21 21 VAL CB C 13 33.09 0.20 . 1 . . . . 21 VAL CB . 17761 1 120 . 1 1 21 21 VAL N N 15 121.00 0.20 . 1 . . . . 21 VAL N . 17761 1 121 . 1 1 22 22 ALA H H 1 8.47 0.03 . 1 . . . . 22 ALA H . 17761 1 122 . 1 1 22 22 ALA HA H 1 4.32 0.03 . 1 . . . . 22 ALA HA . 17761 1 123 . 1 1 22 22 ALA C C 13 177.53 0.20 . 1 . . . . 22 ALA C . 17761 1 124 . 1 1 22 22 ALA CA C 13 52.67 0.20 . 1 . . . . 22 ALA CA . 17761 1 125 . 1 1 22 22 ALA CB C 13 19.35 0.20 . 1 . . . . 22 ALA CB . 17761 1 126 . 1 1 22 22 ALA N N 15 127.27 0.20 . 1 . . . . 22 ALA N . 17761 1 127 . 1 1 23 23 ASP H H 1 8.31 0.03 . 1 . . . . 23 ASP H . 17761 1 128 . 1 1 23 23 ASP HA H 1 4.61 0.03 . 1 . . . . 23 ASP HA . 17761 1 129 . 1 1 23 23 ASP C C 13 176.82 0.20 . 1 . . . . 23 ASP C . 17761 1 130 . 1 1 23 23 ASP CA C 13 54.48 0.20 . 1 . . . . 23 ASP CA . 17761 1 131 . 1 1 23 23 ASP CB C 13 41.23 0.20 . 1 . . . . 23 ASP CB . 17761 1 132 . 1 1 23 23 ASP N N 15 119.91 0.20 . 1 . . . . 23 ASP N . 17761 1 133 . 1 1 24 24 GLY H H 1 8.34 0.03 . 1 . . . . 24 GLY H . 17761 1 134 . 1 1 24 24 GLY HA2 H 1 3.89 0.03 . . . . . . 24 GLY HA2 . 17761 1 135 . 1 1 24 24 GLY C C 13 174.10 0.20 . 1 . . . . 24 GLY C . 17761 1 136 . 1 1 24 24 GLY CA C 13 45.48 0.20 . 1 . . . . 24 GLY CA . 17761 1 137 . 1 1 24 24 GLY N N 15 109.04 0.20 . 1 . . . . 24 GLY N . 17761 1 138 . 1 1 25 25 TYR H H 1 8.16 0.03 . 1 . . . . 25 TYR H . 17761 1 139 . 1 1 25 25 TYR HA H 1 4.55 0.03 . 1 . . . . 25 TYR HA . 17761 1 140 . 1 1 25 25 TYR C C 13 175.89 0.20 . 1 . . . . 25 TYR C . 17761 1 141 . 1 1 25 25 TYR CA C 13 58.27 0.20 . 1 . . . . 25 TYR CA . 17761 1 142 . 1 1 25 25 TYR CB C 13 38.97 0.20 . 1 . . . . 25 TYR CB . 17761 1 143 . 1 1 25 25 TYR N N 15 120.18 0.20 . 1 . . . . 25 TYR N . 17761 1 144 . 1 1 26 26 ALA H H 1 8.34 0.03 . 1 . . . . 26 ALA H . 17761 1 145 . 1 1 26 26 ALA HA H 1 4.28 0.03 . 1 . . . . 26 ALA HA . 17761 1 146 . 1 1 26 26 ALA C C 13 177.34 0.20 . 1 . . . . 26 ALA C . 17761 1 147 . 1 1 26 26 ALA CA C 13 52.66 0.20 . 1 . . . . 26 ALA CA . 17761 1 148 . 1 1 26 26 ALA CB C 13 19.45 0.20 . 1 . . . . 26 ALA CB . 17761 1 149 . 1 1 26 26 ALA N N 15 125.12 0.20 . 1 . . . . 26 ALA N . 17761 1 150 . 1 1 27 27 ASN H H 1 8.39 0.03 . 1 . . . . 27 ASN H . 17761 1 151 . 1 1 27 27 ASN HA H 1 4.64 0.03 . 1 . . . . 27 ASN HA . 17761 1 152 . 1 1 27 27 ASN C C 13 175.12 0.20 . 1 . . . . 27 ASN C . 17761 1 153 . 1 1 27 27 ASN CA C 13 53.45 0.20 . 1 . . . . 27 ASN CA . 17761 1 154 . 1 1 27 27 ASN CB C 13 38.90 0.20 . 1 . . . . 27 ASN CB . 17761 1 155 . 1 1 27 27 ASN N N 15 117.93 0.20 . 1 . . . . 27 ASN N . 17761 1 156 . 1 1 28 28 ASN H H 1 8.40 0.03 . 1 . . . . 28 ASN H . 17761 1 157 . 1 1 28 28 ASN HA H 1 4.69 0.03 . 1 . . . . 28 ASN HA . 17761 1 158 . 1 1 28 28 ASN C C 13 175.08 0.20 . 1 . . . . 28 ASN C . 17761 1 159 . 1 1 28 28 ASN CA C 13 53.49 0.20 . 1 . . . . 28 ASN CA . 17761 1 160 . 1 1 28 28 ASN CB C 13 38.81 0.20 . 1 . . . . 28 ASN CB . 17761 1 161 . 1 1 28 28 ASN N N 15 119.24 0.20 . 1 . . . . 28 ASN N . 17761 1 162 . 1 1 29 29 PHE H H 1 8.23 0.03 . 1 . . . . 29 PHE H . 17761 1 163 . 1 1 29 29 PHE HA H 1 4.54 0.03 . 1 . . . . 29 PHE HA . 17761 1 164 . 1 1 29 29 PHE C C 13 175.57 0.20 . 1 . . . . 29 PHE C . 17761 1 165 . 1 1 29 29 PHE CA C 13 58.13 0.20 . 1 . . . . 29 PHE CA . 17761 1 166 . 1 1 29 29 PHE CB C 13 39.57 0.20 . 1 . . . . 29 PHE CB . 17761 1 167 . 1 1 29 29 PHE N N 15 120.54 0.20 . 1 . . . . 29 PHE N . 17761 1 168 . 1 1 30 30 LEU H H 1 8.13 0.03 . 1 . . . . 30 LEU H . 17761 1 169 . 1 1 30 30 LEU HA H 1 4.30 0.03 . 1 . . . . 30 LEU HA . 17761 1 170 . 1 1 30 30 LEU C C 13 176.81 0.20 . 1 . . . . 30 LEU C . 17761 1 171 . 1 1 30 30 LEU CA C 13 55.13 0.20 . 1 . . . . 30 LEU CA . 17761 1 172 . 1 1 30 30 LEU CB C 13 42.68 0.20 . 1 . . . . 30 LEU CB . 17761 1 173 . 1 1 30 30 LEU N N 15 123.44 0.20 . 1 . . . . 30 LEU N . 17761 1 174 . 1 1 31 31 PHE H H 1 8.31 0.03 . 1 . . . . 31 PHE H . 17761 1 175 . 1 1 31 31 PHE HA H 1 4.60 0.03 . 1 . . . . 31 PHE HA . 17761 1 176 . 1 1 31 31 PHE C C 13 175.86 0.20 . 1 . . . . 31 PHE C . 17761 1 177 . 1 1 31 31 PHE CA C 13 57.87 0.20 . 1 . . . . 31 PHE CA . 17761 1 178 . 1 1 31 31 PHE CB C 13 39.78 0.20 . 1 . . . . 31 PHE CB . 17761 1 179 . 1 1 31 31 PHE N N 15 121.74 0.20 . 1 . . . . 31 PHE N . 17761 1 180 . 1 1 32 32 LYS H H 1 8.49 0.03 . 1 . . . . 32 LYS H . 17761 1 181 . 1 1 32 32 LYS HA H 1 4.29 0.03 . 1 . . . . 32 LYS HA . 17761 1 182 . 1 1 32 32 LYS C C 13 176.30 0.20 . 1 . . . . 32 LYS C . 17761 1 183 . 1 1 32 32 LYS CA C 13 56.59 0.20 . 1 . . . . 32 LYS CA . 17761 1 184 . 1 1 32 32 LYS CB C 13 33.31 0.20 . 1 . . . . 32 LYS CB . 17761 1 185 . 1 1 32 32 LYS N N 15 124.00 0.20 . 1 . . . . 32 LYS N . 17761 1 186 . 1 1 33 33 GLN H H 1 8.54 0.03 . 1 . . . . 33 GLN H . 17761 1 187 . 1 1 33 33 GLN HA H 1 4.30 0.03 . 1 . . . . 33 GLN HA . 17761 1 188 . 1 1 33 33 GLN C C 13 176.56 0.20 . 1 . . . . 33 GLN C . 17761 1 189 . 1 1 33 33 GLN CA C 13 56.35 0.20 . 1 . . . . 33 GLN CA . 17761 1 190 . 1 1 33 33 GLN CB C 13 29.75 0.20 . 1 . . . . 33 GLN CB . 17761 1 191 . 1 1 33 33 GLN N N 15 122.31 0.20 . 1 . . . . 33 GLN N . 17761 1 192 . 1 1 34 34 GLY H H 1 8.56 0.03 . 1 . . . . 34 GLY H . 17761 1 193 . 1 1 34 34 GLY HA2 H 1 3.99 0.03 . . . . . . 34 GLY HA2 . 17761 1 194 . 1 1 34 34 GLY C C 13 173.84 0.20 . 1 . . . . 34 GLY C . 17761 1 195 . 1 1 34 34 GLY CA C 13 45.31 0.20 . 1 . . . . 34 GLY CA . 17761 1 196 . 1 1 34 34 GLY N N 15 110.54 0.20 . 1 . . . . 34 GLY N . 17761 1 197 . 1 1 35 35 LEU H H 1 8.19 0.03 . 1 . . . . 35 LEU H . 17761 1 198 . 1 1 35 35 LEU HA H 1 4.39 0.03 . 1 . . . . 35 LEU HA . 17761 1 199 . 1 1 35 35 LEU C C 13 177.24 0.20 . 1 . . . . 35 LEU C . 17761 1 200 . 1 1 35 35 LEU CA C 13 55.00 0.20 . 1 . . . . 35 LEU CA . 17761 1 201 . 1 1 35 35 LEU CB C 13 42.96 0.20 . 1 . . . . 35 LEU CB . 17761 1 202 . 1 1 35 35 LEU N N 15 121.84 0.20 . 1 . . . . 35 LEU N . 17761 1 203 . 1 1 36 36 ALA H H 1 8.53 0.03 . 1 . . . . 36 ALA H . 17761 1 204 . 1 1 36 36 ALA HA H 1 4.39 0.03 . 1 . . . . 36 ALA HA . 17761 1 205 . 1 1 36 36 ALA C C 13 177.75 0.20 . 1 . . . . 36 ALA C . 17761 1 206 . 1 1 36 36 ALA CA C 13 52.50 0.20 . 1 . . . . 36 ALA CA . 17761 1 207 . 1 1 36 36 ALA CB C 13 19.18 0.20 . 1 . . . . 36 ALA CB . 17761 1 208 . 1 1 36 36 ALA N N 15 125.84 0.20 . 1 . . . . 36 ALA N . 17761 1 209 . 1 1 37 37 ILE H H 1 8.26 0.03 . 1 . . . . 37 ILE H . 17761 1 210 . 1 1 37 37 ILE HA H 1 4.15 0.03 . 1 . . . . 37 ILE HA . 17761 1 211 . 1 1 37 37 ILE C C 13 176.43 0.20 . 1 . . . . 37 ILE C . 17761 1 212 . 1 1 37 37 ILE CA C 13 61.29 0.20 . 1 . . . . 37 ILE CA . 17761 1 213 . 1 1 37 37 ILE CB C 13 38.86 0.20 . 1 . . . . 37 ILE CB . 17761 1 214 . 1 1 37 37 ILE N N 15 121.08 0.20 . 1 . . . . 37 ILE N . 17761 1 215 . 1 1 38 38 GLU H H 1 8.59 0.03 . 1 . . . . 38 GLU H . 17761 1 216 . 1 1 38 38 GLU HA H 1 4.33 0.03 . 1 . . . . 38 GLU HA . 17761 1 217 . 1 1 38 38 GLU C C 13 175.95 0.20 . 1 . . . . 38 GLU C . 17761 1 218 . 1 1 38 38 GLU CA C 13 56.13 0.20 . 1 . . . . 38 GLU CA . 17761 1 219 . 1 1 38 38 GLU CB C 13 30.22 0.20 . 1 . . . . 38 GLU CB . 17761 1 220 . 1 1 38 38 GLU N N 15 125.21 0.20 . 1 . . . . 38 GLU N . 17761 1 221 . 1 1 39 39 ALA H H 1 8.46 0.03 . 1 . . . . 39 ALA H . 17761 1 222 . 1 1 39 39 ALA HA H 1 4.39 0.03 . 1 . . . . 39 ALA HA . 17761 1 223 . 1 1 39 39 ALA C C 13 177.64 0.20 . 1 . . . . 39 ALA C . 17761 1 224 . 1 1 39 39 ALA CA C 13 52.49 0.20 . 1 . . . . 39 ALA CA . 17761 1 225 . 1 1 39 39 ALA CB C 13 19.50 0.20 . 1 . . . . 39 ALA CB . 17761 1 226 . 1 1 39 39 ALA N N 15 126.03 0.20 . 1 . . . . 39 ALA N . 17761 1 227 . 1 1 40 40 THR H H 1 8.32 0.03 . 1 . . . . 40 THR H . 17761 1 228 . 1 1 40 40 THR HA H 1 4.59 0.03 . 1 . . . . 40 THR HA . 17761 1 229 . 1 1 40 40 THR C C 13 173.01 0.20 . 1 . . . . 40 THR C . 17761 1 230 . 1 1 40 40 THR CA C 13 60.28 0.20 . 1 . . . . 40 THR CA . 17761 1 231 . 1 1 40 40 THR CB C 13 69.76 0.20 . 1 . . . . 40 THR CB . 17761 1 232 . 1 1 40 40 THR N N 15 116.30 0.20 . 1 . . . . 40 THR N . 17761 1 233 . 1 1 41 41 PRO C C 13 176.86 0.20 . 1 . . . . 41 PRO C . 17761 1 234 . 1 1 41 41 PRO CA C 13 63.31 0.20 . 1 . . . . 41 PRO CA . 17761 1 235 . 1 1 41 41 PRO CB C 13 32.46 0.20 . 1 . . . . 41 PRO CB . 17761 1 236 . 1 1 42 42 ALA H H 1 8.54 0.03 . 1 . . . . 42 ALA H . 17761 1 237 . 1 1 42 42 ALA HA H 1 4.23 0.03 . 1 . . . . 42 ALA HA . 17761 1 238 . 1 1 42 42 ALA C C 13 177.81 0.20 . 1 . . . . 42 ALA C . 17761 1 239 . 1 1 42 42 ALA CA C 13 53.05 0.20 . 1 . . . . 42 ALA CA . 17761 1 240 . 1 1 42 42 ALA CB C 13 19.32 0.20 . 1 . . . . 42 ALA CB . 17761 1 241 . 1 1 42 42 ALA N N 15 124.47 0.20 . 1 . . . . 42 ALA N . 17761 1 242 . 1 1 43 43 ASN H H 1 8.50 0.03 . 1 . . . . 43 ASN H . 17761 1 243 . 1 1 43 43 ASN HA H 1 4.70 0.03 . 1 . . . . 43 ASN HA . 17761 1 244 . 1 1 43 43 ASN C C 13 175.45 0.20 . 1 . . . . 43 ASN C . 17761 1 245 . 1 1 43 43 ASN CA C 13 53.31 0.20 . 1 . . . . 43 ASN CA . 17761 1 246 . 1 1 43 43 ASN CB C 13 38.60 0.20 . 1 . . . . 43 ASN CB . 17761 1 247 . 1 1 43 43 ASN N N 15 117.64 0.20 . 1 . . . . 43 ASN N . 17761 1 248 . 1 1 44 44 LEU H H 1 8.25 0.03 . 1 . . . . 44 LEU H . 17761 1 249 . 1 1 44 44 LEU HA H 1 4.31 0.03 . 1 . . . . 44 LEU HA . 17761 1 250 . 1 1 44 44 LEU C C 13 177.67 0.20 . 1 . . . . 44 LEU C . 17761 1 251 . 1 1 44 44 LEU CA C 13 55.66 0.20 . 1 . . . . 44 LEU CA . 17761 1 252 . 1 1 44 44 LEU CB C 13 42.43 0.20 . 1 . . . . 44 LEU CB . 17761 1 253 . 1 1 44 44 LEU N N 15 122.95 0.20 . 1 . . . . 44 LEU N . 17761 1 254 . 1 1 45 45 LYS H H 1 8.42 0.03 . 1 . . . . 45 LYS H . 17761 1 255 . 1 1 45 45 LYS HA H 1 4.23 0.03 . 1 . . . . 45 LYS HA . 17761 1 256 . 1 1 45 45 LYS C C 13 176.79 0.20 . 1 . . . . 45 LYS C . 17761 1 257 . 1 1 45 45 LYS CA C 13 57.10 0.20 . 1 . . . . 45 LYS CA . 17761 1 258 . 1 1 45 45 LYS CB C 13 33.20 0.20 . 1 . . . . 45 LYS CB . 17761 1 259 . 1 1 45 45 LYS N N 15 122.38 0.20 . 1 . . . . 45 LYS N . 17761 1 260 . 1 1 46 46 ALA H H 1 8.33 0.03 . 1 . . . . 46 ALA H . 17761 1 261 . 1 1 46 46 ALA HA H 1 4.28 0.03 . 1 . . . . 46 ALA HA . 17761 1 262 . 1 1 46 46 ALA C C 13 178.12 0.20 . 1 . . . . 46 ALA C . 17761 1 263 . 1 1 46 46 ALA CA C 13 52.79 0.20 . 1 . . . . 46 ALA CA . 17761 1 264 . 1 1 46 46 ALA CB C 13 19.16 0.20 . 1 . . . . 46 ALA CB . 17761 1 265 . 1 1 46 46 ALA N N 15 125.23 0.20 . 1 . . . . 46 ALA N . 17761 1 266 . 1 1 47 47 LEU H H 1 8.29 0.03 . 1 . . . . 47 LEU H . 17761 1 267 . 1 1 47 47 LEU HA H 1 4.30 0.03 . 1 . . . . 47 LEU HA . 17761 1 268 . 1 1 47 47 LEU C C 13 177.86 0.20 . 1 . . . . 47 LEU C . 17761 1 269 . 1 1 47 47 LEU CA C 13 55.64 0.20 . 1 . . . . 47 LEU CA . 17761 1 270 . 1 1 47 47 LEU CB C 13 42.50 0.20 . 1 . . . . 47 LEU CB . 17761 1 271 . 1 1 47 47 LEU N N 15 121.81 0.20 . 1 . . . . 47 LEU N . 17761 1 272 . 1 1 48 48 GLU H H 1 8.50 0.03 . 1 . . . . 48 GLU H . 17761 1 273 . 1 1 48 48 GLU HA H 1 4.28 0.03 . 1 . . . . 48 GLU HA . 17761 1 274 . 1 1 48 48 GLU C C 13 176.45 0.20 . 1 . . . . 48 GLU C . 17761 1 275 . 1 1 48 48 GLU CA C 13 56.49 0.20 . 1 . . . . 48 GLU CA . 17761 1 276 . 1 1 48 48 GLU CB C 13 30.24 0.20 . 1 . . . . 48 GLU CB . 17761 1 277 . 1 1 48 48 GLU N N 15 121.77 0.20 . 1 . . . . 48 GLU N . 17761 1 278 . 1 1 49 49 ALA H H 1 8.40 0.03 . 1 . . . . 49 ALA H . 17761 1 279 . 1 1 49 49 ALA HA H 1 4.27 0.03 . 1 . . . . 49 ALA HA . 17761 1 280 . 1 1 49 49 ALA C C 13 177.98 0.20 . 1 . . . . 49 ALA C . 17761 1 281 . 1 1 49 49 ALA CA C 13 52.87 0.20 . 1 . . . . 49 ALA CA . 17761 1 282 . 1 1 49 49 ALA CB C 13 19.29 0.20 . 1 . . . . 49 ALA CB . 17761 1 283 . 1 1 49 49 ALA N N 15 125.18 0.20 . 1 . . . . 49 ALA N . 17761 1 284 . 1 1 50 50 GLN H H 1 8.45 0.03 . 1 . . . . 50 GLN H . 17761 1 285 . 1 1 50 50 GLN HA H 1 4.31 0.03 . 1 . . . . 50 GLN HA . 17761 1 286 . 1 1 50 50 GLN C C 13 176.39 0.20 . 1 . . . . 50 GLN C . 17761 1 287 . 1 1 50 50 GLN CA C 13 56.11 0.20 . 1 . . . . 50 GLN CA . 17761 1 288 . 1 1 50 50 GLN CB C 13 29.53 0.20 . 1 . . . . 50 GLN CB . 17761 1 289 . 1 1 50 50 GLN N N 15 120.03 0.20 . 1 . . . . 50 GLN N . 17761 1 290 . 1 1 51 51 LYS H H 1 8.50 0.03 . 1 . . . . 51 LYS H . 17761 1 291 . 1 1 51 51 LYS HA H 1 4.28 0.03 . 1 . . . . 51 LYS HA . 17761 1 292 . 1 1 51 51 LYS C C 13 176.88 0.20 . 1 . . . . 51 LYS C . 17761 1 293 . 1 1 51 51 LYS CA C 13 56.62 0.20 . 1 . . . . 51 LYS CA . 17761 1 294 . 1 1 51 51 LYS CB C 13 33.46 0.20 . 1 . . . . 51 LYS CB . 17761 1 295 . 1 1 51 51 LYS N N 15 123.36 0.20 . 1 . . . . 51 LYS N . 17761 1 296 . 1 1 52 52 GLN H H 1 8.62 0.03 . 1 . . . . 52 GLN H . 17761 1 297 . 1 1 52 52 GLN HA H 1 4.31 0.03 . 1 . . . . 52 GLN HA . 17761 1 298 . 1 1 52 52 GLN C C 13 176.30 0.20 . 1 . . . . 52 GLN C . 17761 1 299 . 1 1 52 52 GLN CA C 13 56.04 0.20 . 1 . . . . 52 GLN CA . 17761 1 300 . 1 1 52 52 GLN CB C 13 29.71 0.20 . 1 . . . . 52 GLN CB . 17761 1 301 . 1 1 52 52 GLN N N 15 122.37 0.20 . 1 . . . . 52 GLN N . 17761 1 302 . 1 1 53 53 LYS H H 1 8.60 0.03 . 1 . . . . 53 LYS H . 17761 1 303 . 1 1 53 53 LYS HA H 1 4.27 0.03 . 1 . . . . 53 LYS HA . 17761 1 304 . 1 1 53 53 LYS C C 13 176.70 0.20 . 1 . . . . 53 LYS C . 17761 1 305 . 1 1 53 53 LYS CA C 13 56.85 0.20 . 1 . . . . 53 LYS CA . 17761 1 306 . 1 1 53 53 LYS CB C 13 33.46 0.20 . 1 . . . . 53 LYS CB . 17761 1 307 . 1 1 53 53 LYS N N 15 123.58 0.20 . 1 . . . . 53 LYS N . 17761 1 308 . 1 1 54 54 GLU H H 1 8.65 0.03 . 1 . . . . 54 GLU H . 17761 1 309 . 1 1 54 54 GLU HA H 1 4.31 0.03 . 1 . . . . 54 GLU HA . 17761 1 310 . 1 1 54 54 GLU C C 13 176.33 0.20 . 1 . . . . 54 GLU C . 17761 1 311 . 1 1 54 54 GLU CA C 13 56.54 0.20 . 1 . . . . 54 GLU CA . 17761 1 312 . 1 1 54 54 GLU CB C 13 30.36 0.20 . 1 . . . . 54 GLU CB . 17761 1 313 . 1 1 54 54 GLU N N 15 122.68 0.20 . 1 . . . . 54 GLU N . 17761 1 314 . 1 1 55 55 GLN H H 1 8.60 0.03 . 1 . . . . 55 GLN H . 17761 1 315 . 1 1 55 55 GLN HA H 1 4.38 0.03 . 1 . . . . 55 GLN HA . 17761 1 316 . 1 1 55 55 GLN C C 13 175.16 0.20 . 1 . . . . 55 GLN C . 17761 1 317 . 1 1 55 55 GLN CA C 13 56.01 0.20 . 1 . . . . 55 GLN CA . 17761 1 318 . 1 1 55 55 GLN CB C 13 29.83 0.20 . 1 . . . . 55 GLN CB . 17761 1 319 . 1 1 55 55 GLN N N 15 122.94 0.20 . 1 . . . . 55 GLN N . 17761 1 320 . 1 1 56 56 ARG H H 1 8.28 0.03 . 1 . . . . 56 ARG H . 17761 1 321 . 1 1 56 56 ARG HA H 1 4.20 0.03 . 1 . . . . 56 ARG HA . 17761 1 322 . 1 1 56 56 ARG CA C 13 57.96 0.20 . 1 . . . . 56 ARG CA . 17761 1 323 . 1 1 56 56 ARG N N 15 128.64 0.20 . 1 . . . . 56 ARG N . 17761 1 stop_ save_