data_15883 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15883 _Entry.Title ; Backbone and 13C and 1H assignments for acid unfolded state and urea unfolded state of CTL9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-24 _Entry.Accession_date 2008-07-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Unfolded state of CTL9' _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 Bing Shan . . . 15883 2 Shibani Bhattacharya . . . 15883 3 David Eliezer . . . 15883 4 Daniel Raleigh . . . 15883 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'State University of New York at Stony Brook' . 15883 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15883 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 267 15883 '15N chemical shifts' 88 15883 '1H chemical shifts' 290 15883 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-10-14 2008-07-24 update BMRB 'update entry citation' 15883 1 . . 2008-09-19 2008-07-24 original author 'original release' 15883 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 15883 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18707127 _Citation.Full_citation . _Citation.Title 'The Low pH Unfolded State of the C-terminal Domain of the Ribosomal Protein L9 Contains Significant Secondary Structure in the Absence of Denaturant but is No More Compact than the Low pH Urea Unfolded State' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 36 _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 9565 _Citation.Page_last 9573 _Citation.Year 2008 _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 Bing Shan . . . 15883 1 2 Shibani Bhattacharya . . . 15883 1 3 David Eliezer . . . 15883 1 4 Daniel Raleigh . . . 15883 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15883 _Assembly.ID 1 _Assembly.Name CTL9 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 CTL9 1 $CTL9 A . yes denatured no no . . . 15883 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CTL9 _Entity.Sf_category entity _Entity.Sf_framecode CTL9 _Entity.Entry_ID 15883 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CTL9 _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 ; AAEELANAKKLKEQLEKLTV TIPAKAGEGGRLFGSITSKQ IAESLQAQHGLKLDKRKIEL ADAIRALGYTNVPVKLHPEV TATLKVHVTEQK ; _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 92 _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 2015-11-26 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 15884 . CTL9 . . . . . 100.00 92 100.00 100.00 2.61e-56 . . . . 15883 1 2 no BMRB 17460 . L9 . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15883 1 3 no PDB 1DIV . "Ribosomal Protein L9" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15883 1 4 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 7.95e-56 . . . . 15883 1 5 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 7.95e-56 . . . . 15883 1 6 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 7.95e-56 . . . . 15883 1 7 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 7.95e-56 . . . . 15883 1 8 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 7.95e-56 . . . . 15883 1 9 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 7.95e-56 . . . . 15883 1 10 no EMBL CAA43972 . "ribosomal protein L9 [Geobacillus stearothermophilus]" . . . . . 98.91 148 100.00 100.00 3.69e-55 . . . . 15883 1 11 no GB AAA22701 . "ribosomal protein L9 [Geobacillus stearothermophilus]" . . . . . 100.00 149 100.00 100.00 8.21e-56 . . . . 15883 1 12 no GB AKM20686 . "50S ribosomal protein L9 [Geobacillus sp. 12AMOR1]" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15883 1 13 no GB AKU26730 . "50S ribosomal protein L9 [Geobacillus sp. LC300]" . . . . . 100.00 149 100.00 100.00 9.56e-56 . . . . 15883 1 14 no GB KFL16938 . "50S ribosomal protein L9 [Geobacillus stearothermophilus]" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15883 1 15 no GB KFX34457 . "50S ribosomal protein L9 [Geobacillus stearothermophilus]" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15883 1 16 no PRF 0701226A . "ribosomal protein L17" . . . . . 98.91 147 98.90 98.90 3.18e-54 . . . . 15883 1 17 no PRF 1714237A . "ribosomal protein L9" . . . . . 98.91 148 100.00 100.00 3.69e-55 . . . . 15883 1 18 no REF WP_033008865 . "MULTISPECIES: 50S ribosomal protein L9 [Bacillaceae]" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15883 1 19 no REF WP_050368025 . "50S ribosomal protein L9 [Geobacillus sp. LC300]" . . . . . 100.00 149 100.00 100.00 9.56e-56 . . . . 15883 1 20 no SP P02417 . "RecName: Full=50S ribosomal protein L9; AltName: Full=BL17" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15883 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 . ALA . 15883 1 2 . ALA . 15883 1 3 . GLU . 15883 1 4 . GLU . 15883 1 5 . LEU . 15883 1 6 . ALA . 15883 1 7 . ASN . 15883 1 8 . ALA . 15883 1 9 . LYS . 15883 1 10 . LYS . 15883 1 11 . LEU . 15883 1 12 . LYS . 15883 1 13 . GLU . 15883 1 14 . GLN . 15883 1 15 . LEU . 15883 1 16 . GLU . 15883 1 17 . LYS . 15883 1 18 . LEU . 15883 1 19 . THR . 15883 1 20 . VAL . 15883 1 21 . THR . 15883 1 22 . ILE . 15883 1 23 . PRO . 15883 1 24 . ALA . 15883 1 25 . LYS . 15883 1 26 . ALA . 15883 1 27 . GLY . 15883 1 28 . GLU . 15883 1 29 . GLY . 15883 1 30 . GLY . 15883 1 31 . ARG . 15883 1 32 . LEU . 15883 1 33 . PHE . 15883 1 34 . GLY . 15883 1 35 . SER . 15883 1 36 . ILE . 15883 1 37 . THR . 15883 1 38 . SER . 15883 1 39 . LYS . 15883 1 40 . GLN . 15883 1 41 . ILE . 15883 1 42 . ALA . 15883 1 43 . GLU . 15883 1 44 . SER . 15883 1 45 . LEU . 15883 1 46 . GLN . 15883 1 47 . ALA . 15883 1 48 . GLN . 15883 1 49 . HIS . 15883 1 50 . GLY . 15883 1 51 . LEU . 15883 1 52 . LYS . 15883 1 53 . LEU . 15883 1 54 . ASP . 15883 1 55 . LYS . 15883 1 56 . ARG . 15883 1 57 . LYS . 15883 1 58 . ILE . 15883 1 59 . GLU . 15883 1 60 . LEU . 15883 1 61 . ALA . 15883 1 62 . ASP . 15883 1 63 . ALA . 15883 1 64 . ILE . 15883 1 65 . ARG . 15883 1 66 . ALA . 15883 1 67 . LEU . 15883 1 68 . GLY . 15883 1 69 . TYR . 15883 1 70 . THR . 15883 1 71 . ASN . 15883 1 72 . VAL . 15883 1 73 . PRO . 15883 1 74 . VAL . 15883 1 75 . LYS . 15883 1 76 . LEU . 15883 1 77 . HIS . 15883 1 78 . PRO . 15883 1 79 . GLU . 15883 1 80 . VAL . 15883 1 81 . THR . 15883 1 82 . ALA . 15883 1 83 . THR . 15883 1 84 . LEU . 15883 1 85 . LYS . 15883 1 86 . VAL . 15883 1 87 . HIS . 15883 1 88 . VAL . 15883 1 89 . THR . 15883 1 90 . GLU . 15883 1 91 . GLN . 15883 1 92 . LYS . 15883 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 . ALA 1 1 15883 1 . ALA 2 2 15883 1 . GLU 3 3 15883 1 . GLU 4 4 15883 1 . LEU 5 5 15883 1 . ALA 6 6 15883 1 . ASN 7 7 15883 1 . ALA 8 8 15883 1 . LYS 9 9 15883 1 . LYS 10 10 15883 1 . LEU 11 11 15883 1 . LYS 12 12 15883 1 . GLU 13 13 15883 1 . GLN 14 14 15883 1 . LEU 15 15 15883 1 . GLU 16 16 15883 1 . LYS 17 17 15883 1 . LEU 18 18 15883 1 . THR 19 19 15883 1 . VAL 20 20 15883 1 . THR 21 21 15883 1 . ILE 22 22 15883 1 . PRO 23 23 15883 1 . ALA 24 24 15883 1 . LYS 25 25 15883 1 . ALA 26 26 15883 1 . GLY 27 27 15883 1 . GLU 28 28 15883 1 . GLY 29 29 15883 1 . GLY 30 30 15883 1 . ARG 31 31 15883 1 . LEU 32 32 15883 1 . PHE 33 33 15883 1 . GLY 34 34 15883 1 . SER 35 35 15883 1 . ILE 36 36 15883 1 . THR 37 37 15883 1 . SER 38 38 15883 1 . LYS 39 39 15883 1 . GLN 40 40 15883 1 . ILE 41 41 15883 1 . ALA 42 42 15883 1 . GLU 43 43 15883 1 . SER 44 44 15883 1 . LEU 45 45 15883 1 . GLN 46 46 15883 1 . ALA 47 47 15883 1 . GLN 48 48 15883 1 . HIS 49 49 15883 1 . GLY 50 50 15883 1 . LEU 51 51 15883 1 . LYS 52 52 15883 1 . LEU 53 53 15883 1 . ASP 54 54 15883 1 . LYS 55 55 15883 1 . ARG 56 56 15883 1 . LYS 57 57 15883 1 . ILE 58 58 15883 1 . GLU 59 59 15883 1 . LEU 60 60 15883 1 . ALA 61 61 15883 1 . ASP 62 62 15883 1 . ALA 63 63 15883 1 . ILE 64 64 15883 1 . ARG 65 65 15883 1 . ALA 66 66 15883 1 . LEU 67 67 15883 1 . GLY 68 68 15883 1 . TYR 69 69 15883 1 . THR 70 70 15883 1 . ASN 71 71 15883 1 . VAL 72 72 15883 1 . PRO 73 73 15883 1 . VAL 74 74 15883 1 . LYS 75 75 15883 1 . LEU 76 76 15883 1 . HIS 77 77 15883 1 . PRO 78 78 15883 1 . GLU 79 79 15883 1 . VAL 80 80 15883 1 . THR 81 81 15883 1 . ALA 82 82 15883 1 . THR 83 83 15883 1 . LEU 84 84 15883 1 . LYS 85 85 15883 1 . VAL 86 86 15883 1 . HIS 87 87 15883 1 . VAL 88 88 15883 1 . THR 89 89 15883 1 . GLU 90 90 15883 1 . GLN 91 91 15883 1 . LYS 92 92 15883 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 15883 _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 $CTL9 . 1422 organism . 'Bacillus stearothermophilus' 'Bacillus stearothermophilus' . . Bacteria . Bacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 15883 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 15883 _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 $CTL9 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli ribosome . . . . . . . . . . . . . . . pET3a . . . . . . 15883 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15883 _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 CTL9 '[U-99% 13C; U-99% 15N]' . . 1 $CTL9 . . 1 . . mM . . . . 15883 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15883 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15883 1 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 15883 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 2.0 0.1 pH 15883 1 pressure 1 . atm 15883 1 temperature 298.2 2 K 15883 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15883 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' ; National Institutes of Health,Building 5, Room 126 9000 Rockville Pike Bethesda, MD 20892-0520 ; delaglio@nih.gov 15883 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15883 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 15883 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'New York Structural Biology Center' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15883 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'New York Structural Biology Center' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15883 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'New York Structural Biology Center' . . 15883 1 2 spectrometer_2 Bruker Avance . 700 'New York Structural Biology Center' . . 15883 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 15883 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15883 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15883 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15883 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15883 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15883 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15883 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15883 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 15883 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'all chemical shifts referenced to 2,2-Dimethyl-2-silapentane-5-sulfonate sodium salt (DSS)' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15883 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15883 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15883 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 15883 _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 2 '3D HNCO' . . . 15883 1 3 '3D HN(CA)CO' . . . 15883 1 4 '3D HNCACB' . . . 15883 1 5 '3D CBCA(CO)NH' . . . 15883 1 6 '3D HBHA(CO)NH' . . . 15883 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 ALA HA H 1 4.10 0.01 . . . . . . 1 ALA HA . 15883 1 2 . 1 1 1 1 ALA HB1 H 1 1.56 0.01 . . . . . . 1 ALA HB . 15883 1 3 . 1 1 1 1 ALA HB2 H 1 1.56 0.01 . . . . . . 1 ALA HB . 15883 1 4 . 1 1 1 1 ALA HB3 H 1 1.56 0.01 . . . . . . 1 ALA HB . 15883 1 5 . 1 1 1 1 ALA C C 13 173.49 0.01 . . . . . . 1 ALA C . 15883 1 6 . 1 1 1 1 ALA CA C 13 51.92 0.01 . . . . . . 1 ALA CA . 15883 1 7 . 1 1 1 1 ALA CB C 13 19.18 0.01 . . . . . . 1 ALA CB . 15883 1 8 . 1 1 2 2 ALA H H 1 8.61 0.01 . . . . . . 2 ALA H . 15883 1 9 . 1 1 2 2 ALA HA H 1 4.36 0.01 . . . . . . 2 ALA HA . 15883 1 10 . 1 1 2 2 ALA HB1 H 1 1.41 0.01 . . . . . . 2 ALA HB . 15883 1 11 . 1 1 2 2 ALA HB2 H 1 1.41 0.01 . . . . . . 2 ALA HB . 15883 1 12 . 1 1 2 2 ALA HB3 H 1 1.41 0.01 . . . . . . 2 ALA HB . 15883 1 13 . 1 1 2 2 ALA C C 13 177.65 0.01 . . . . . . 2 ALA C . 15883 1 14 . 1 1 2 2 ALA CA C 13 52.68 0.01 . . . . . . 2 ALA CA . 15883 1 15 . 1 1 2 2 ALA CB C 13 19.15 0.01 . . . . . . 2 ALA CB . 15883 1 16 . 1 1 2 2 ALA N N 15 123.73 0.01 . . . . . . 2 ALA N . 15883 1 17 . 1 1 3 3 GLU H H 1 8.46 0.01 . . . . . . 3 GLU H . 15883 1 18 . 1 1 3 3 GLU HA H 1 4.36 0.01 . . . . . . 3 GLU HA . 15883 1 19 . 1 1 3 3 GLU HB2 H 1 2.05 0.01 . . . . . . 3 GLU HB2 . 15883 1 20 . 1 1 3 3 GLU C C 13 176.06 0.01 . . . . . . 3 GLU C . 15883 1 21 . 1 1 3 3 GLU CA C 13 55.99 0.01 . . . . . . 3 GLU CA . 15883 1 22 . 1 1 3 3 GLU CB C 13 28.73 0.01 . . . . . . 3 GLU CB . 15883 1 23 . 1 1 3 3 GLU N N 15 120.28 0.01 . . . . . . 3 GLU N . 15883 1 24 . 1 1 4 4 GLU H H 1 8.43 0.01 . . . . . . 4 GLU H . 15883 1 25 . 1 1 4 4 GLU HA H 1 4.38 0.01 . . . . . . 4 GLU HA . 15883 1 26 . 1 1 4 4 GLU HB2 H 1 2.06 0.01 . . . . . . 4 GLU HB2 . 15883 1 27 . 1 1 4 4 GLU C C 13 176.18 0.01 . . . . . . 4 GLU C . 15883 1 28 . 1 1 4 4 GLU CA C 13 55.99 0.01 . . . . . . 4 GLU CA . 15883 1 29 . 1 1 4 4 GLU CB C 13 28.56 0.01 . . . . . . 4 GLU CB . 15883 1 30 . 1 1 4 4 GLU N N 15 121.88 0.01 . . . . . . 4 GLU N . 15883 1 31 . 1 1 5 5 LEU H H 1 8.28 0.01 . . . . . . 5 LEU H . 15883 1 32 . 1 1 5 5 LEU HA H 1 4.31 0.01 . . . . . . 5 LEU HA . 15883 1 33 . 1 1 5 5 LEU HB2 H 1 1.64 0.01 . . . . . . 5 LEU HB2 . 15883 1 34 . 1 1 5 5 LEU C C 13 177.65 0.01 . . . . . . 5 LEU C . 15883 1 35 . 1 1 5 5 LEU CA C 13 55.73 0.01 . . . . . . 5 LEU CA . 15883 1 36 . 1 1 5 5 LEU CB C 13 42.53 0.01 . . . . . . 5 LEU CB . 15883 1 37 . 1 1 5 5 LEU N N 15 123.78 0.01 . . . . . . 5 LEU N . 15883 1 38 . 1 1 6 6 ALA H H 1 8.22 0.01 . . . . . . 6 ALA H . 15883 1 39 . 1 1 6 6 ALA HA H 1 4.24 0.01 . . . . . . 6 ALA HA . 15883 1 40 . 1 1 6 6 ALA HB1 H 1 1.41 0.01 . . . . . . 6 ALA HB . 15883 1 41 . 1 1 6 6 ALA HB2 H 1 1.41 0.01 . . . . . . 6 ALA HB . 15883 1 42 . 1 1 6 6 ALA HB3 H 1 1.41 0.01 . . . . . . 6 ALA HB . 15883 1 43 . 1 1 6 6 ALA C C 13 178.18 0.01 . . . . . . 6 ALA C . 15883 1 44 . 1 1 6 6 ALA CA C 13 53.2 0.01 . . . . . . 6 ALA CA . 15883 1 45 . 1 1 6 6 ALA CB C 13 18.91 0.01 . . . . . . 6 ALA CB . 15883 1 46 . 1 1 6 6 ALA N N 15 123.83 0.01 . . . . . . 6 ALA N . 15883 1 47 . 1 1 7 7 ASN H H 1 8.30 0.01 . . . . . . 7 ASN H . 15883 1 48 . 1 1 7 7 ASN HA H 1 4.62 0.01 . . . . . . 7 ASN HA . 15883 1 49 . 1 1 7 7 ASN HB2 H 1 2.83 0.01 . . . . . . 7 ASN HB2 . 15883 1 50 . 1 1 7 7 ASN C C 13 175.76 0.01 . . . . . . 7 ASN C . 15883 1 51 . 1 1 7 7 ASN CA C 13 53.70 0.01 . . . . . . 7 ASN CA . 15883 1 52 . 1 1 7 7 ASN CB C 13 38.62 0.01 . . . . . . 7 ASN CB . 15883 1 53 . 1 1 7 7 ASN N N 15 117.35 0.01 . . . . . . 7 ASN N . 15883 1 54 . 1 1 8 8 ALA H H 1 8.12 0.01 . . . . . . 8 ALA H . 15883 1 55 . 1 1 8 8 ALA HA H 1 4.21 0.01 . . . . . . 8 ALA HA . 15883 1 56 . 1 1 8 8 ALA HB1 H 1 1.44 0.01 . . . . . . 8 ALA HB . 15883 1 57 . 1 1 8 8 ALA HB2 H 1 1.44 0.01 . . . . . . 8 ALA HB . 15883 1 58 . 1 1 8 8 ALA HB3 H 1 1.44 0.01 . . . . . . 8 ALA HB . 15883 1 59 . 1 1 8 8 ALA C C 13 178.64 0.01 . . . . . . 8 ALA C . 15883 1 60 . 1 1 8 8 ALA CA C 13 53.70 0.01 . . . . . . 8 ALA CA . 15883 1 61 . 1 1 8 8 ALA CB C 13 18.93 0.01 . . . . . . 8 ALA CB . 15883 1 62 . 1 1 8 8 ALA N N 15 123.98 0.01 . . . . . . 8 ALA N . 15883 1 63 . 1 1 9 9 LYS H H 1 8.13 0.01 . . . . . . 9 LYS H . 15883 1 64 . 1 1 9 9 LYS HA H 1 4.18 0.01 . . . . . . 9 LYS HA . 15883 1 65 . 1 1 9 9 LYS HB2 H 1 1.82 0.01 . . . . . . 9 LYS HB2 . 15883 1 66 . 1 1 9 9 LYS C C 13 177.35 0.01 . . . . . . 9 LYS C . 15883 1 67 . 1 1 9 9 LYS CA C 13 57.50 0.01 . . . . . . 9 LYS CA . 15883 1 68 . 1 1 9 9 LYS CB C 13 32.62 0.01 . . . . . . 9 LYS CB . 15883 1 69 . 1 1 9 9 LYS N N 15 119.44 0.01 . . . . . . 9 LYS N . 15883 1 70 . 1 1 10 10 LYS H H 1 8.03 0.01 . . . . . . 10 LYS H . 15883 1 71 . 1 1 10 10 LYS HA H 1 4.24 0.01 . . . . . . 10 LYS HA . 15883 1 72 . 1 1 10 10 LYS HB2 H 1 1.82 0.01 . . . . . . 10 LYS HB2 . 15883 1 73 . 1 1 10 10 LYS C C 13 177.30 0.01 . . . . . . 10 LYS C . 15883 1 74 . 1 1 10 10 LYS CA C 13 57.00 0.01 . . . . . . 10 LYS CA . 15883 1 75 . 1 1 10 10 LYS CB C 13 32.63 0.01 . . . . . . 10 LYS CB . 15883 1 76 . 1 1 10 10 LYS N N 15 121.32 0.01 . . . . . . 10 LYS N . 15883 1 77 . 1 1 11 11 LEU H H 1 8.08 0.01 . . . . . . 11 LEU H . 15883 1 78 . 1 1 11 11 LEU HA H 1 4.29 0.01 . . . . . . 11 LEU HA . 15883 1 79 . 1 1 11 11 LEU HB2 H 1 1.63 0.01 . . . . . . 11 LEU HB2 . 15883 1 80 . 1 1 11 11 LEU C C 13 177.94 0.01 . . . . . . 11 LEU C . 15883 1 81 . 1 1 11 11 LEU CA C 13 55.99 0.01 . . . . . . 11 LEU CA . 15883 1 82 . 1 1 11 11 LEU CB C 13 42.27 0.01 . . . . . . 11 LEU CB . 15883 1 83 . 1 1 11 11 LEU N N 15 122.32 0.01 . . . . . . 11 LEU N . 15883 1 84 . 1 1 12 12 LYS H H 1 8.15 0.01 . . . . . . 12 LYS H . 15883 1 85 . 1 1 12 12 LYS HA H 1 4.21 0.01 . . . . . . 12 LYS HA . 15883 1 86 . 1 1 12 12 LYS HB2 H 1 1.84 0.01 . . . . . . 12 LYS HB2 . 15883 1 87 . 1 1 12 12 LYS C C 13 177.29 0.01 . . . . . . 12 LYS C . 15883 1 88 . 1 1 12 12 LYS CA C 13 57.28 0.01 . . . . . . 12 LYS CA . 15883 1 89 . 1 1 12 12 LYS CB C 13 32.62 0.01 . . . . . . 12 LYS CB . 15883 1 90 . 1 1 12 12 LYS N N 15 121.26 0.01 . . . . . . 12 LYS N . 15883 1 91 . 1 1 13 13 GLU H H 1 8.17 0.01 . . . . . . 13 GLU H . 15883 1 92 . 1 1 13 13 GLU HA H 1 4.27 0.01 . . . . . . 13 GLU HA . 15883 1 93 . 1 1 13 13 GLU HB2 H 1 2.08 0.01 . . . . . . 13 GLU HB2 . 15883 1 94 . 1 1 13 13 GLU C C 13 176.65 0.01 . . . . . . 13 GLU C . 15883 1 95 . 1 1 13 13 GLU CA C 13 56.75 0.01 . . . . . . 13 GLU CA . 15883 1 96 . 1 1 13 13 GLU CB C 13 28.57 0.01 . . . . . . 13 GLU CB . 15883 1 97 . 1 1 13 13 GLU N N 15 120.22 0.01 . . . . . . 13 GLU N . 15883 1 98 . 1 1 14 14 GLN H H 1 8.30 0.01 . . . . . . 14 GLN H . 15883 1 99 . 1 1 14 14 GLN HA H 1 4.29 0.01 . . . . . . 14 GLN HA . 15883 1 100 . 1 1 14 14 GLN HB2 H 1 2.09 0.01 . . . . . . 14 GLN HB2 . 15883 1 101 . 1 1 14 14 GLN C C 13 176.51 0.01 . . . . . . 14 GLN C . 15883 1 102 . 1 1 14 14 GLN CA C 13 56.74 0.01 . . . . . . 14 GLN CA . 15883 1 103 . 1 1 14 14 GLN CB C 13 29.08 0.01 . . . . . . 14 GLN CB . 15883 1 104 . 1 1 14 14 GLN N N 15 121.01 0.01 . . . . . . 14 GLN N . 15883 1 105 . 1 1 15 15 LEU H H 1 8.18 0.01 . . . . . . 15 LEU H . 15883 1 106 . 1 1 15 15 LEU HA H 1 4.30 0.01 . . . . . . 15 LEU HA . 15883 1 107 . 1 1 15 15 LEU HB2 H 1 1.66 0.01 . . . . . . 15 LEU HB2 . 15883 1 108 . 1 1 15 15 LEU C C 13 177.88 0.01 . . . . . . 15 LEU C . 15883 1 109 . 1 1 15 15 LEU CA C 13 55.74 0.01 . . . . . . 15 LEU CA . 15883 1 110 . 1 1 15 15 LEU CB C 13 42.27 0.01 . . . . . . 15 LEU CB . 15883 1 111 . 1 1 15 15 LEU N N 15 122.61 0.01 . . . . . . 15 LEU N . 15883 1 112 . 1 1 16 16 GLU H H 1 8.19 0.01 . . . . . . 16 GLU H . 15883 1 113 . 1 1 16 16 GLU HA H 1 4.34 0.01 . . . . . . 16 GLU HA . 15883 1 114 . 1 1 16 16 GLU HB2 H 1 2.07 0.01 . . . . . . 16 GLU HB2 . 15883 1 115 . 1 1 16 16 GLU C C 13 176.12 0.01 . . . . . . 16 GLU C . 15883 1 116 . 1 1 16 16 GLU CA C 13 56.23 0.01 . . . . . . 16 GLU CA . 15883 1 117 . 1 1 16 16 GLU CB C 13 28.57 0.01 . . . . . . 16 GLU CB . 15883 1 118 . 1 1 16 16 GLU N N 15 120.48 0.01 . . . . . . 16 GLU N . 15883 1 119 . 1 1 17 17 LYS H H 1 8.16 0.01 . . . . . . 17 LYS H . 15883 1 120 . 1 1 17 17 LYS HA H 1 4.30 0.01 . . . . . . 17 LYS HA . 15883 1 121 . 1 1 17 17 LYS HB2 H 1 1.80 0.01 . . . . . . 17 LYS HB2 . 15883 1 122 . 1 1 17 17 LYS C C 13 176.46 0.01 . . . . . . 17 LYS C . 15883 1 123 . 1 1 17 17 LYS CA C 13 56.62 0.01 . . . . . . 17 LYS CA . 15883 1 124 . 1 1 17 17 LYS CB C 13 32.89 0.01 . . . . . . 17 LYS CB . 15883 1 125 . 1 1 17 17 LYS N N 15 121.95 0.01 . . . . . . 17 LYS N . 15883 1 126 . 1 1 18 18 LEU H H 1 8.17 0.01 . . . . . . 18 LEU H . 15883 1 127 . 1 1 18 18 LEU HA H 1 4.43 0.01 . . . . . . 18 LEU HA . 15883 1 128 . 1 1 18 18 LEU HB2 H 1 1.64 0.01 . . . . . . 18 LEU HB2 . 15883 1 129 . 1 1 18 18 LEU C C 13 177.53 0.01 . . . . . . 18 LEU C . 15883 1 130 . 1 1 18 18 LEU CA C 13 55.35 0.01 . . . . . . 18 LEU CA . 15883 1 131 . 1 1 18 18 LEU CB C 13 42.53 0.01 . . . . . . 18 LEU CB . 15883 1 132 . 1 1 18 18 LEU N N 15 123.20 0.01 . . . . . . 18 LEU N . 15883 1 133 . 1 1 19 19 THR H H 1 8.16 0.01 . . . . . . 19 THR H . 15883 1 134 . 1 1 19 19 THR HA H 1 4.73 0.01 . . . . . . 19 THR HA . 15883 1 135 . 1 1 19 19 THR HB H 1 4.31 0.01 . . . . . . 19 THR HB . 15883 1 136 . 1 1 19 19 THR C C 13 174.31 0.01 . . . . . . 19 THR C . 15883 1 137 . 1 1 19 19 THR CA C 13 62.09 0.01 . . . . . . 19 THR CA . 15883 1 138 . 1 1 19 19 THR CB C 13 69.95 0.01 . . . . . . 19 THR CB . 15883 1 139 . 1 1 19 19 THR N N 15 116.09 0.01 . . . . . . 19 THR N . 15883 1 140 . 1 1 20 20 VAL H H 1 8.15 0.01 . . . . . . 20 VAL H . 15883 1 141 . 1 1 20 20 VAL HA H 1 4.23 0.01 . . . . . . 20 VAL HA . 15883 1 142 . 1 1 20 20 VAL HB H 1 2.08 0.01 . . . . . . 20 VAL HB . 15883 1 143 . 1 1 20 20 VAL C C 13 176.01 0.01 . . . . . . 20 VAL C . 15883 1 144 . 1 1 20 20 VAL CA C 13 62.33 0.01 . . . . . . 20 VAL CA . 15883 1 145 . 1 1 20 20 VAL CB C 13 32.89 0.01 . . . . . . 20 VAL CB . 15883 1 146 . 1 1 20 20 VAL N N 15 123.11 0.01 . . . . . . 20 VAL N . 15883 1 147 . 1 1 21 21 THR H H 1 8.30 0.01 . . . . . . 21 THR H . 15883 1 148 . 1 1 21 21 THR HA H 1 4.36 0.01 . . . . . . 21 THR HA . 15883 1 149 . 1 1 21 21 THR HB H 1 4.10 0.01 . . . . . . 21 THR HB . 15883 1 150 . 1 1 21 21 THR C C 13 174.07 0.01 . . . . . . 21 THR C . 15883 1 151 . 1 1 21 21 THR CA C 13 61.82 0.01 . . . . . . 21 THR CA . 15883 1 152 . 1 1 21 21 THR CB C 13 69.95 0.01 . . . . . . 21 THR CB . 15883 1 153 . 1 1 21 21 THR N N 15 119.64 0.01 . . . . . . 21 THR N . 15883 1 154 . 1 1 22 22 ILE H H 1 8.29 0.01 . . . . . . 22 ILE H . 15883 1 155 . 1 1 22 22 ILE C C 13 174.45 0.01 . . . . . . 22 ILE C . 15883 1 156 . 1 1 22 22 ILE CA C 13 58.53 0.01 . . . . . . 22 ILE CA . 15883 1 157 . 1 1 22 22 ILE CB C 13 38.72 0.01 . . . . . . 22 ILE CB . 15883 1 158 . 1 1 22 22 ILE N N 15 125.96 0.01 . . . . . . 22 ILE N . 15883 1 159 . 1 1 23 23 PRO HA H 1 4.38 0.01 . . . . . . 23 PRO HA . 15883 1 160 . 1 1 23 23 PRO HB2 H 1 2.30 0.01 . . . . . . 23 PRO HB2 . 15883 1 161 . 1 1 23 23 PRO HB3 H 1 1.90 0.01 . . . . . . 23 PRO HB3 . 15883 1 162 . 1 1 23 23 PRO C C 13 176.61 0.01 . . . . . . 23 PRO C . 15883 1 163 . 1 1 23 23 PRO CA C 13 63.35 0.01 . . . . . . 23 PRO CA . 15883 1 164 . 1 1 23 23 PRO CB C 13 32.12 0.01 . . . . . . 23 PRO CB . 15883 1 165 . 1 1 24 24 ALA H H 1 8.32 0.01 . . . . . . 24 ALA H . 15883 1 166 . 1 1 24 24 ALA HA H 1 4.28 0.01 . . . . . . 24 ALA HA . 15883 1 167 . 1 1 24 24 ALA HB1 H 1 1.39 0.01 . . . . . . 24 ALA HB . 15883 1 168 . 1 1 24 24 ALA HB2 H 1 1.39 0.01 . . . . . . 24 ALA HB . 15883 1 169 . 1 1 24 24 ALA HB3 H 1 1.39 0.01 . . . . . . 24 ALA HB . 15883 1 170 . 1 1 24 24 ALA C C 13 177.94 0.01 . . . . . . 24 ALA C . 15883 1 171 . 1 1 24 24 ALA CA C 13 52.54 0.01 . . . . . . 24 ALA CA . 15883 1 172 . 1 1 24 24 ALA CB C 13 19.17 0.01 . . . . . . 24 ALA CB . 15883 1 173 . 1 1 24 24 ALA N N 15 124.48 0.01 . . . . . . 24 ALA N . 15883 1 174 . 1 1 25 25 LYS H H 1 8.21 0.01 . . . . . . 25 LYS H . 15883 1 175 . 1 1 25 25 LYS HA H 1 4.29 0.01 . . . . . . 25 LYS HA . 15883 1 176 . 1 1 25 25 LYS HB2 H 1 1.78 0.01 . . . . . . 25 LYS HB2 . 15883 1 177 . 1 1 25 25 LYS C C 13 176.36 0.01 . . . . . . 25 LYS C . 15883 1 178 . 1 1 25 25 LYS CA C 13 56.23 0.01 . . . . . . 25 LYS CA . 15883 1 179 . 1 1 25 25 LYS CB C 13 33.12 0.01 . . . . . . 25 LYS CB . 15883 1 180 . 1 1 25 25 LYS N N 15 120.50 0.01 . . . . . . 25 LYS N . 15883 1 181 . 1 1 26 26 ALA H H 1 8.26 0.01 . . . . . . 26 ALA H . 15883 1 182 . 1 1 26 26 ALA HA H 1 4.30 0.01 . . . . . . 26 ALA HA . 15883 1 183 . 1 1 26 26 ALA HB1 H 1 1.39 0.01 . . . . . . 26 ALA HB . 15883 1 184 . 1 1 26 26 ALA HB2 H 1 1.39 0.01 . . . . . . 26 ALA HB . 15883 1 185 . 1 1 26 26 ALA HB3 H 1 1.39 0.01 . . . . . . 26 ALA HB . 15883 1 186 . 1 1 26 26 ALA C C 13 178.29 0.01 . . . . . . 26 ALA C . 15883 1 187 . 1 1 26 26 ALA CA C 13 52.69 0.01 . . . . . . 26 ALA CA . 15883 1 188 . 1 1 26 26 ALA CB C 13 19.18 0.01 . . . . . . 26 ALA CB . 15883 1 189 . 1 1 26 26 ALA N N 15 125.38 0.01 . . . . . . 26 ALA N . 15883 1 190 . 1 1 27 27 GLY H H 1 8.38 0.01 . . . . . . 27 GLY H . 15883 1 191 . 1 1 27 27 GLY HA2 H 1 3.97 0.01 . . . . . . 27 GLY HA2 . 15883 1 192 . 1 1 27 27 GLY C C 13 174.42 0.01 . . . . . . 27 GLY C . 15883 1 193 . 1 1 27 27 GLY CA C 13 45.33 0.01 . . . . . . 27 GLY CA . 15883 1 194 . 1 1 27 27 GLY N N 15 108.31 0.01 . . . . . . 27 GLY N . 15883 1 195 . 1 1 28 28 GLU H H 1 8.24 0.01 . . . . . . 28 GLU H . 15883 1 196 . 1 1 28 28 GLU HA H 1 4.40 0.01 . . . . . . 28 GLU HA . 15883 1 197 . 1 1 28 28 GLU HB2 H 1 2.17 0.01 . . . . . . 28 GLU HB2 . 15883 1 198 . 1 1 28 28 GLU HB3 H 1 2.01 0.01 . . . . . . 28 GLU HB3 . 15883 1 199 . 1 1 28 28 GLU C C 13 176.82 0.01 . . . . . . 28 GLU C . 15883 1 200 . 1 1 28 28 GLU CA C 13 55.98 0.01 . . . . . . 28 GLU CA . 15883 1 201 . 1 1 28 28 GLU CB C 13 28.71 0.01 . . . . . . 28 GLU CB . 15883 1 202 . 1 1 28 28 GLU N N 15 119.73 0.01 . . . . . . 28 GLU N . 15883 1 203 . 1 1 29 29 GLY H H 1 8.53 0.01 . . . . . . 29 GLY H . 15883 1 204 . 1 1 29 29 GLY HA2 H 1 3.97 0.01 . . . . . . 29 GLY HA2 . 15883 1 205 . 1 1 29 29 GLY C C 13 174.77 0.01 . . . . . . 29 GLY C . 15883 1 206 . 1 1 29 29 GLY CA C 13 45.58 0.01 . . . . . . 29 GLY CA . 15883 1 207 . 1 1 29 29 GLY N N 15 110.01 0.01 . . . . . . 29 GLY N . 15883 1 208 . 1 1 30 30 GLY H H 1 8.25 0.01 . . . . . . 30 GLY H . 15883 1 209 . 1 1 30 30 GLY HA2 H 1 3.96 0.01 . . . . . . 30 GLY HA2 . 15883 1 210 . 1 1 30 30 GLY C C 13 174.25 0.01 . . . . . . 30 GLY C . 15883 1 211 . 1 1 30 30 GLY CA C 13 45.32 0.01 . . . . . . 30 GLY CA . 15883 1 212 . 1 1 30 30 GLY N N 15 108.62 0.01 . . . . . . 30 GLY N . 15883 1 213 . 1 1 31 31 ARG H H 1 8.09 0.01 . . . . . . 31 ARG H . 15883 1 214 . 1 1 31 31 ARG HA H 1 4.30 0.01 . . . . . . 31 ARG HA . 15883 1 215 . 1 1 31 31 ARG HB2 H 1 1.76 0.01 . . . . . . 31 ARG HB2 . 15883 1 216 . 1 1 31 31 ARG C C 13 176.18 0.01 . . . . . . 31 ARG C . 15883 1 217 . 1 1 31 31 ARG CA C 13 56.36 0.01 . . . . . . 31 ARG CA . 15883 1 218 . 1 1 31 31 ARG CB C 13 30.60 0.01 . . . . . . 31 ARG CB . 15883 1 219 . 1 1 31 31 ARG N N 15 120.39 0.01 . . . . . . 31 ARG N . 15883 1 220 . 1 1 32 32 LEU H H 1 8.22 0.01 . . . . . . 32 LEU H . 15883 1 221 . 1 1 32 32 LEU HA H 1 4.30 0.01 . . . . . . 32 LEU HA . 15883 1 222 . 1 1 32 32 LEU HB2 H 1 1.51 0.01 . . . . . . 32 LEU HB2 . 15883 1 223 . 1 1 32 32 LEU C C 13 177.12 0.01 . . . . . . 32 LEU C . 15883 1 224 . 1 1 32 32 LEU CA C 13 55.23 0.01 . . . . . . 32 LEU CA . 15883 1 225 . 1 1 32 32 LEU CB C 13 42.28 0.01 . . . . . . 32 LEU CB . 15883 1 226 . 1 1 32 32 LEU N N 15 122.93 0.01 . . . . . . 32 LEU N . 15883 1 227 . 1 1 33 33 PHE H H 1 8.22 0.01 . . . . . . 33 PHE H . 15883 1 228 . 1 1 33 33 PHE HA H 1 4.60 0.01 . . . . . . 33 PHE HA . 15883 1 229 . 1 1 33 33 PHE HB2 H 1 3.17 0.01 . . . . . . 33 PHE HB2 . 15883 1 230 . 1 1 33 33 PHE HB3 H 1 3.03 0.01 . . . . . . 33 PHE HB3 . 15883 1 231 . 1 1 33 33 PHE C C 13 176.27 0.01 . . . . . . 33 PHE C . 15883 1 232 . 1 1 33 33 PHE CA C 13 58.02 0.01 . . . . . . 33 PHE CA . 15883 1 233 . 1 1 33 33 PHE CB C 13 39.74 0.01 . . . . . . 33 PHE CB . 15883 1 234 . 1 1 33 33 PHE N N 15 120.81 0.01 . . . . . . 33 PHE N . 15883 1 235 . 1 1 34 34 GLY H H 1 8.30 0.01 . . . . . . 34 GLY H . 15883 1 236 . 1 1 34 34 GLY HA2 H 1 3.94 0.01 . . . . . . 34 GLY HA2 . 15883 1 237 . 1 1 34 34 GLY C C 13 174.07 0.01 . . . . . . 34 GLY C . 15883 1 238 . 1 1 34 34 GLY CA C 13 45.24 0.01 . . . . . . 34 GLY CA . 15883 1 239 . 1 1 34 34 GLY N N 15 110.33 0.01 . . . . . . 34 GLY N . 15883 1 240 . 1 1 35 35 SER H H 1 8.16 0.01 . . . . . . 35 SER H . 15883 1 241 . 1 1 35 35 SER HA H 1 4.49 0.01 . . . . . . 35 SER HA . 15883 1 242 . 1 1 35 35 SER HB2 H 1 3.89 0.01 . . . . . . 35 SER HB2 . 15883 1 243 . 1 1 35 35 SER C C 13 174.74 0.01 . . . . . . 35 SER C . 15883 1 244 . 1 1 35 35 SER CA C 13 58.27 0.01 . . . . . . 35 SER CA . 15883 1 245 . 1 1 35 35 SER CB C 13 64.11 0.01 . . . . . . 35 SER CB . 15883 1 246 . 1 1 35 35 SER N N 15 115.70 0.01 . . . . . . 35 SER N . 15883 1 247 . 1 1 36 36 ILE H H 1 8.25 0.01 . . . . . . 36 ILE H . 15883 1 248 . 1 1 36 36 ILE HA H 1 4.29 0.01 . . . . . . 36 ILE HA . 15883 1 249 . 1 1 36 36 ILE HB H 1 1.93 0.01 . . . . . . 36 ILE HB . 15883 1 250 . 1 1 36 36 ILE C C 13 176.70 0.01 . . . . . . 36 ILE C . 15883 1 251 . 1 1 36 36 ILE CA C 13 61.58 0.01 . . . . . . 36 ILE CA . 15883 1 252 . 1 1 36 36 ILE CB C 13 38.72 0.01 . . . . . . 36 ILE CB . 15883 1 253 . 1 1 36 36 ILE N N 15 122.54 0.01 . . . . . . 36 ILE N . 15883 1 254 . 1 1 37 37 THR H H 1 8.18 0.01 . . . . . . 37 THR H . 15883 1 255 . 1 1 37 37 THR HA H 1 4.34 0.01 . . . . . . 37 THR HA . 15883 1 256 . 1 1 37 37 THR C C 13 174.95 0.01 . . . . . . 37 THR C . 15883 1 257 . 1 1 37 37 THR CA C 13 62.08 0.01 . . . . . . 37 THR CA . 15883 1 258 . 1 1 37 37 THR CB C 13 69.95 0.01 . . . . . . 37 THR CB . 15883 1 259 . 1 1 37 37 THR N N 15 117.44 0.01 . . . . . . 37 THR N . 15883 1 260 . 1 1 38 38 SER H H 1 8.31 0.01 . . . . . . 38 SER H . 15883 1 261 . 1 1 38 38 SER HA H 1 4.42 0.01 . . . . . . 38 SER HA . 15883 1 262 . 1 1 38 38 SER HB2 H 1 3.92 0.01 . . . . . . 38 SER HB2 . 15883 1 263 . 1 1 38 38 SER C C 13 175.19 0.01 . . . . . . 38 SER C . 15883 1 264 . 1 1 38 38 SER CA C 13 59.28 0.01 . . . . . . 38 SER CA . 15883 1 265 . 1 1 38 38 SER CB C 13 63.71 0.01 . . . . . . 38 SER CB . 15883 1 266 . 1 1 38 38 SER N N 15 117.95 0.01 . . . . . . 38 SER N . 15883 1 267 . 1 1 39 39 LYS H H 1 8.27 0.01 . . . . . . 39 LYS H . 15883 1 268 . 1 1 39 39 LYS HA H 1 4.28 0.01 . . . . . . 39 LYS HA . 15883 1 269 . 1 1 39 39 LYS HB2 H 1 1.80 0.01 . . . . . . 39 LYS HB2 . 15883 1 270 . 1 1 39 39 LYS C C 13 176.82 0.01 . . . . . . 39 LYS C . 15883 1 271 . 1 1 39 39 LYS CA C 13 57.25 0.01 . . . . . . 39 LYS CA . 15883 1 272 . 1 1 39 39 LYS CB C 13 32.88 0.01 . . . . . . 39 LYS CB . 15883 1 273 . 1 1 39 39 LYS N N 15 123.33 0.01 . . . . . . 39 LYS N . 15883 1 274 . 1 1 40 40 GLN H H 1 8.21 0.01 . . . . . . 40 GLN H . 15883 1 275 . 1 1 40 40 GLN HA H 1 4.26 0.01 . . . . . . 40 GLN HA . 15883 1 276 . 1 1 40 40 GLN HB2 H 1 2.07 0.01 . . . . . . 40 GLN HB2 . 15883 1 277 . 1 1 40 40 GLN C C 13 177.06 0.01 . . . . . . 40 GLN C . 15883 1 278 . 1 1 40 40 GLN CA C 13 56.87 0.01 . . . . . . 40 GLN CA . 15883 1 279 . 1 1 40 40 GLN CB C 13 29.70 0.01 . . . . . . 40 GLN CB . 15883 1 280 . 1 1 40 40 GLN N N 15 120.88 0.01 . . . . . . 40 GLN N . 15883 1 281 . 1 1 41 41 ILE H H 1 8.12 0.01 . . . . . . 41 ILE H . 15883 1 282 . 1 1 41 41 ILE HA H 1 4.05 0.01 . . . . . . 41 ILE HA . 15883 1 283 . 1 1 41 41 ILE HB H 1 1.87 0.01 . . . . . . 41 ILE HB . 15883 1 284 . 1 1 41 41 ILE C C 13 176.83 0.01 . . . . . . 41 ILE C . 15883 1 285 . 1 1 41 41 ILE CA C 13 62.33 0.01 . . . . . . 41 ILE CA . 15883 1 286 . 1 1 41 41 ILE CB C 13 38.47 0.01 . . . . . . 41 ILE CB . 15883 1 287 . 1 1 41 41 ILE N N 15 122.24 0.01 . . . . . . 41 ILE N . 15883 1 288 . 1 1 42 42 ALA H H 1 8.26 0.01 . . . . . . 42 ALA H . 15883 1 289 . 1 1 42 42 ALA HA H 1 4.26 0.01 . . . . . . 42 ALA HA . 15883 1 290 . 1 1 42 42 ALA HB1 H 1 1.43 0.01 . . . . . . 42 ALA HB . 15883 1 291 . 1 1 42 42 ALA HB2 H 1 1.43 0.01 . . . . . . 42 ALA HB . 15883 1 292 . 1 1 42 42 ALA HB3 H 1 1.43 0.01 . . . . . . 42 ALA HB . 15883 1 293 . 1 1 42 42 ALA C C 13 178.76 0.01 . . . . . . 42 ALA C . 15883 1 294 . 1 1 42 42 ALA CA C 13 53.45 0.01 . . . . . . 42 ALA CA . 15883 1 295 . 1 1 42 42 ALA CB C 13 18.91 0.01 . . . . . . 42 ALA CB . 15883 1 296 . 1 1 42 42 ALA N N 15 126.44 0.01 . . . . . . 42 ALA N . 15883 1 297 . 1 1 43 43 GLU HA H 1 4.29 0.01 . . . . . . 43 GLU HA . 15883 1 298 . 1 1 43 43 GLU HB2 H 1 2.09 0.01 . . . . . . 43 GLU HB2 . 15883 1 299 . 1 1 43 43 GLU C C 13 177.09 0.01 . . . . . . 43 GLU C . 15883 1 300 . 1 1 43 43 GLU CA C 13 56.85 0.01 . . . . . . 43 GLU CA . 15883 1 301 . 1 1 43 43 GLU CB C 13 28.57 0.01 . . . . . . 43 GLU CB . 15883 1 302 . 1 1 43 43 GLU N N 15 119.09 0.01 . . . . . . 43 GLU N . 15883 1 303 . 1 1 44 44 SER H H 1 8.23 0.01 . . . . . . 44 SER H . 15883 1 304 . 1 1 44 44 SER HA H 1 4.40 0.01 . . . . . . 44 SER HA . 15883 1 305 . 1 1 44 44 SER HB2 H 1 3.95 0.01 . . . . . . 44 SER HB2 . 15883 1 306 . 1 1 44 44 SER C C 13 175.36 0.01 . . . . . . 44 SER C . 15883 1 307 . 1 1 44 44 SER CA C 13 59.29 0.01 . . . . . . 44 SER CA . 15883 1 308 . 1 1 44 44 SER CB C 13 63.60 0.01 . . . . . . 44 SER CB . 15883 1 309 . 1 1 44 44 SER N N 15 116.61 0.01 . . . . . . 44 SER N . 15883 1 310 . 1 1 45 45 LEU H H 1 8.17 0.01 . . . . . . 45 LEU H . 15883 1 311 . 1 1 45 45 LEU HA H 1 4.28 0.01 . . . . . . 45 LEU HA . 15883 1 312 . 1 1 45 45 LEU HB2 H 1 1.69 0.01 . . . . . . 45 LEU HB2 . 15883 1 313 . 1 1 45 45 LEU HB3 H 1 1.60 0.01 . . . . . . 45 LEU HB3 . 15883 1 314 . 1 1 45 45 LEU C C 13 178.35 0.01 . . . . . . 45 LEU C . 15883 1 315 . 1 1 45 45 LEU CA C 13 56.39 0.01 . . . . . . 45 LEU CA . 15883 1 316 . 1 1 45 45 LEU CB C 13 42.14 0.01 . . . . . . 45 LEU CB . 15883 1 317 . 1 1 45 45 LEU N N 15 123.55 0.01 . . . . . . 45 LEU N . 15883 1 318 . 1 1 46 46 GLN H H 1 8.13 0.01 . . . . . . 46 GLN H . 15883 1 319 . 1 1 46 46 GLN HA H 1 4.23 0.01 . . . . . . 46 GLN HA . 15883 1 320 . 1 1 46 46 GLN HB2 H 1 2.08 0.01 . . . . . . 46 GLN HB2 . 15883 1 321 . 1 1 46 46 GLN C C 13 176.65 0.01 . . . . . . 46 GLN C . 15883 1 322 . 1 1 46 46 GLN CA C 13 56.76 0.01 . . . . . . 46 GLN CA . 15883 1 323 . 1 1 46 46 GLN CB C 13 28.83 0.01 . . . . . . 46 GLN CB . 15883 1 324 . 1 1 46 46 GLN N N 15 119.81 0.01 . . . . . . 46 GLN N . 15883 1 325 . 1 1 47 47 ALA H H 1 8.10 0.01 . . . . . . 47 ALA H . 15883 1 326 . 1 1 47 47 ALA HA H 1 4.06 0.01 . . . . . . 47 ALA HA . 15883 1 327 . 1 1 47 47 ALA HB1 H 1 1.41 0.01 . . . . . . 47 ALA HB . 15883 1 328 . 1 1 47 47 ALA HB2 H 1 1.41 0.01 . . . . . . 47 ALA HB . 15883 1 329 . 1 1 47 47 ALA HB3 H 1 1.41 0.01 . . . . . . 47 ALA HB . 15883 1 330 . 1 1 47 47 ALA C C 13 178.29 0.01 . . . . . . 47 ALA C . 15883 1 331 . 1 1 47 47 ALA CA C 13 53.18 0.01 . . . . . . 47 ALA CA . 15883 1 332 . 1 1 47 47 ALA CB C 13 18.92 0.01 . . . . . . 47 ALA CB . 15883 1 333 . 1 1 47 47 ALA N N 15 123.90 0.01 . . . . . . 47 ALA N . 15883 1 334 . 1 1 48 48 GLN H H 1 8.15 0.01 . . . . . . 48 GLN H . 15883 1 335 . 1 1 48 48 GLN HA H 1 4.22 0.01 . . . . . . 48 GLN HA . 15883 1 336 . 1 1 48 48 GLN HB2 H 1 2.05 0.01 . . . . . . 48 GLN HB2 . 15883 1 337 . 1 1 48 48 GLN CA C 13 56.49 0.01 . . . . . . 48 GLN CA . 15883 1 338 . 1 1 48 48 GLN CB C 13 29.07 0.01 . . . . . . 48 GLN CB . 15883 1 339 . 1 1 48 48 GLN N N 15 118.42 0.01 . . . . . . 48 GLN N . 15883 1 340 . 1 1 49 49 HIS H H 1 8.38 0.01 . . . . . . 49 HIS H . 15883 1 341 . 1 1 49 49 HIS HA H 1 4.70 0.01 . . . . . . 49 HIS HA . 15883 1 342 . 1 1 49 49 HIS HB2 H 1 3.35 0.01 . . . . . . 49 HIS HB2 . 15883 1 343 . 1 1 49 49 HIS HB3 H 1 3.21 0.01 . . . . . . 49 HIS HB3 . 15883 1 344 . 1 1 49 49 HIS C C 13 175.07 0.01 . . . . . . 49 HIS C . 15883 1 345 . 1 1 49 49 HIS CA C 13 55.58 0.01 . . . . . . 49 HIS CA . 15883 1 346 . 1 1 49 49 HIS CB C 13 28.82 0.01 . . . . . . 49 HIS CB . 15883 1 347 . 1 1 49 49 HIS N N 15 118.49 0.01 . . . . . . 49 HIS N . 15883 1 348 . 1 1 50 50 GLY H H 1 8.38 0.01 . . . . . . 50 GLY H . 15883 1 349 . 1 1 50 50 GLY HA2 H 1 3.96 0.01 . . . . . . 50 GLY HA2 . 15883 1 350 . 1 1 50 50 GLY C C 13 174.13 0.01 . . . . . . 50 GLY C . 15883 1 351 . 1 1 50 50 GLY CA C 13 45.58 0.01 . . . . . . 50 GLY CA . 15883 1 352 . 1 1 50 50 GLY N N 15 109.38 0.01 . . . . . . 50 GLY N . 15883 1 353 . 1 1 51 51 LEU H H 1 8.04 0.01 . . . . . . 51 LEU H . 15883 1 354 . 1 1 51 51 LEU HA H 1 4.34 0.01 . . . . . . 51 LEU HA . 15883 1 355 . 1 1 51 51 LEU HB2 H 1 1.61 0.01 . . . . . . 51 LEU HB2 . 15883 1 356 . 1 1 51 51 LEU C C 13 177.59 0.01 . . . . . . 51 LEU C . 15883 1 357 . 1 1 51 51 LEU CA C 13 55.48 0.01 . . . . . . 51 LEU CA . 15883 1 358 . 1 1 51 51 LEU CB C 13 42.53 0.01 . . . . . . 51 LEU CB . 15883 1 359 . 1 1 51 51 LEU N N 15 121.77 0.01 . . . . . . 51 LEU N . 15883 1 360 . 1 1 52 52 LYS H H 1 8.32 0.01 . . . . . . 52 LYS H . 15883 1 361 . 1 1 52 52 LYS HA H 1 4.34 0.01 . . . . . . 52 LYS HA . 15883 1 362 . 1 1 52 52 LYS HB2 H 1 1.80 0.01 . . . . . . 52 LYS HB2 . 15883 1 363 . 1 1 52 52 LYS C C 13 176.65 0.01 . . . . . . 52 LYS C . 15883 1 364 . 1 1 52 52 LYS CA C 13 56.75 0.01 . . . . . . 52 LYS CA . 15883 1 365 . 1 1 52 52 LYS CB C 13 32.63 0.01 . . . . . . 52 LYS CB . 15883 1 366 . 1 1 52 52 LYS N N 15 122.31 0.01 . . . . . . 52 LYS N . 15883 1 367 . 1 1 53 53 LEU H H 1 8.17 0.01 . . . . . . 53 LEU H . 15883 1 368 . 1 1 53 53 LEU HA H 1 4.33 0.01 . . . . . . 53 LEU HA . 15883 1 369 . 1 1 53 53 LEU HB2 H 1 1.60 0.01 . . . . . . 53 LEU HB2 . 15883 1 370 . 1 1 53 53 LEU C C 13 177.18 0.01 . . . . . . 53 LEU C . 15883 1 371 . 1 1 53 53 LEU CA C 13 55.47 0.01 . . . . . . 53 LEU CA . 15883 1 372 . 1 1 53 53 LEU CB C 13 42.53 0.01 . . . . . . 53 LEU CB . 15883 1 373 . 1 1 53 53 LEU N N 15 123.22 0.01 . . . . . . 53 LEU N . 15883 1 374 . 1 1 54 54 ASP H H 1 8.41 0.01 . . . . . . 54 ASP H . 15883 1 375 . 1 1 54 54 ASP HA H 1 4.67 0.01 . . . . . . 54 ASP HA . 15883 1 376 . 1 1 54 54 ASP HB2 H 1 2.91 0.01 . . . . . . 54 ASP HB2 . 15883 1 377 . 1 1 54 54 ASP C C 13 175.36 0.01 . . . . . . 54 ASP C . 15883 1 378 . 1 1 54 54 ASP CA C 13 53.19 0.01 . . . . . . 54 ASP CA . 15883 1 379 . 1 1 54 54 ASP CB C 13 38.21 0.01 . . . . . . 54 ASP CB . 15883 1 380 . 1 1 54 54 ASP N N 15 120.16 0.01 . . . . . . 54 ASP N . 15883 1 381 . 1 1 55 55 LYS H H 1 8.26 0.01 . . . . . . 55 LYS H . 15883 1 382 . 1 1 55 55 LYS HA H 1 4.25 0.01 . . . . . . 55 LYS HA . 15883 1 383 . 1 1 55 55 LYS HB2 H 1 1.80 0.01 . . . . . . 55 LYS HB2 . 15883 1 384 . 1 1 55 55 LYS C C 13 176.83 0.01 . . . . . . 55 LYS C . 15883 1 385 . 1 1 55 55 LYS CA C 13 57.00 0.01 . . . . . . 55 LYS CA . 15883 1 386 . 1 1 55 55 LYS CB C 13 32.88 0.01 . . . . . . 55 LYS CB . 15883 1 387 . 1 1 55 55 LYS N N 15 122.21 0.01 . . . . . . 55 LYS N . 15883 1 388 . 1 1 56 56 ARG H H 1 8.18 0.01 . . . . . . 56 ARG H . 15883 1 389 . 1 1 56 56 ARG HA H 1 4.26 0.01 . . . . . . 56 ARG HA . 15883 1 390 . 1 1 56 56 ARG HB2 H 1 1.82 0.01 . . . . . . 56 ARG HB2 . 15883 1 391 . 1 1 56 56 ARG C C 13 176.60 0.01 . . . . . . 56 ARG C . 15883 1 392 . 1 1 56 56 ARG CA C 13 56.75 0.01 . . . . . . 56 ARG CA . 15883 1 393 . 1 1 56 56 ARG CB C 13 30.59 0.01 . . . . . . 56 ARG CB . 15883 1 394 . 1 1 56 56 ARG N N 15 121.47 0.01 . . . . . . 56 ARG N . 15883 1 395 . 1 1 57 57 LYS H H 1 8.22 0.01 . . . . . . 57 LYS H . 15883 1 396 . 1 1 57 57 LYS HA H 1 4.24 0.01 . . . . . . 57 LYS HA . 15883 1 397 . 1 1 57 57 LYS HB2 H 1 1.80 0.01 . . . . . . 57 LYS HB2 . 15883 1 398 . 1 1 57 57 LYS C C 13 177.06 0.01 . . . . . . 57 LYS C . 15883 1 399 . 1 1 57 57 LYS CA C 13 57.01 0.01 . . . . . . 57 LYS CA . 15883 1 400 . 1 1 57 57 LYS CB C 13 32.89 0.01 . . . . . . 57 LYS CB . 15883 1 401 . 1 1 57 57 LYS N N 15 122.36 0.01 . . . . . . 57 LYS N . 15883 1 402 . 1 1 58 58 ILE H H 1 8.08 0.01 . . . . . . 58 ILE H . 15883 1 403 . 1 1 58 58 ILE HA H 1 4.08 0.01 . . . . . . 58 ILE HA . 15883 1 404 . 1 1 58 58 ILE HB H 1 1.84 0.01 . . . . . . 58 ILE HB . 15883 1 405 . 1 1 58 58 ILE C C 13 176.42 0.01 . . . . . . 58 ILE C . 15883 1 406 . 1 1 58 58 ILE CA C 13 61.58 0.01 . . . . . . 58 ILE CA . 15883 1 407 . 1 1 58 58 ILE CB C 13 38.62 0.01 . . . . . . 58 ILE CB . 15883 1 408 . 1 1 58 58 ILE N N 15 122.55 0.01 . . . . . . 58 ILE N . 15883 1 409 . 1 1 59 59 GLU H H 1 8.33 0.01 . . . . . . 59 GLU H . 15883 1 410 . 1 1 59 59 GLU HA H 1 4.37 0.01 . . . . . . 59 GLU HA . 15883 1 411 . 1 1 59 59 GLU HB2 H 1 2.06 0.01 . . . . . . 59 GLU HB2 . 15883 1 412 . 1 1 59 59 GLU C C 13 176.59 0.01 . . . . . . 59 GLU C . 15883 1 413 . 1 1 59 59 GLU CA C 13 55.99 0.01 . . . . . . 59 GLU CA . 15883 1 414 . 1 1 59 59 GLU CB C 13 28.56 0.01 . . . . . . 59 GLU CB . 15883 1 415 . 1 1 59 59 GLU N N 15 124.00 0.01 . . . . . . 59 GLU N . 15883 1 416 . 1 1 60 60 LEU H H 1 8.26 0.01 . . . . . . 60 LEU H . 15883 1 417 . 1 1 60 60 LEU HA H 1 4.33 0.01 . . . . . . 60 LEU HA . 15883 1 418 . 1 1 60 60 LEU HB2 H 1 1.63 0.01 . . . . . . 60 LEU HB2 . 15883 1 419 . 1 1 60 60 LEU C C 13 177.62 0.01 . . . . . . 60 LEU C . 15883 1 420 . 1 1 60 60 LEU CA C 13 55.48 0.01 . . . . . . 60 LEU CA . 15883 1 421 . 1 1 60 60 LEU CB C 13 42.28 0.01 . . . . . . 60 LEU CB . 15883 1 422 . 1 1 60 60 LEU N N 15 123.80 0.01 . . . . . . 60 LEU N . 15883 1 423 . 1 1 61 61 ALA H H 1 8.29 0.01 . . . . . . 61 ALA H . 15883 1 424 . 1 1 61 61 ALA HA H 1 4.24 0.01 . . . . . . 61 ALA HA . 15883 1 425 . 1 1 61 61 ALA HB1 H 1 1.41 0.01 . . . . . . 61 ALA HB . 15883 1 426 . 1 1 61 61 ALA HB2 H 1 1.41 0.01 . . . . . . 61 ALA HB . 15883 1 427 . 1 1 61 61 ALA HB3 H 1 1.41 0.01 . . . . . . 61 ALA HB . 15883 1 428 . 1 1 61 61 ALA C C 13 178.35 0.01 . . . . . . 61 ALA C . 15883 1 429 . 1 1 61 61 ALA CA C 13 52.82 0.01 . . . . . . 61 ALA CA . 15883 1 430 . 1 1 61 61 ALA CB C 13 19.18 0.01 . . . . . . 61 ALA CB . 15883 1 431 . 1 1 61 61 ALA N N 15 124.30 0.01 . . . . . . 61 ALA N . 15883 1 432 . 1 1 62 62 ASP H H 1 8.30 0.01 . . . . . . 62 ASP H . 15883 1 433 . 1 1 62 62 ASP HA H 1 4.62 0.01 . . . . . . 62 ASP HA . 15883 1 434 . 1 1 62 62 ASP HB2 H 1 2.91 0.01 . . . . . . 62 ASP HB2 . 15883 1 435 . 1 1 62 62 ASP C C 13 175.42 0.01 . . . . . . 62 ASP C . 15883 1 436 . 1 1 62 62 ASP CA C 13 53.45 0.01 . . . . . . 62 ASP CA . 15883 1 437 . 1 1 62 62 ASP CB C 13 37.95 0.01 . . . . . . 62 ASP CB . 15883 1 438 . 1 1 62 62 ASP N N 15 117.34 0.01 . . . . . . 62 ASP N . 15883 1 439 . 1 1 63 63 ALA H H 1 8.06 0.01 . . . . . . 63 ALA H . 15883 1 440 . 1 1 63 63 ALA HA H 1 4.30 0.01 . . . . . . 63 ALA HA . 15883 1 441 . 1 1 63 63 ALA HB1 H 1 1.41 0.01 . . . . . . 63 ALA HB . 15883 1 442 . 1 1 63 63 ALA HB2 H 1 1.41 0.01 . . . . . . 63 ALA HB . 15883 1 443 . 1 1 63 63 ALA HB3 H 1 1.41 0.01 . . . . . . 63 ALA HB . 15883 1 444 . 1 1 63 63 ALA C C 13 178.09 0.01 . . . . . . 63 ALA C . 15883 1 445 . 1 1 63 63 ALA CA C 13 53.19 0.01 . . . . . . 63 ALA CA . 15883 1 446 . 1 1 63 63 ALA CB C 13 18.92 0.01 . . . . . . 63 ALA CB . 15883 1 447 . 1 1 63 63 ALA N N 15 124.27 0.01 . . . . . . 63 ALA N . 15883 1 448 . 1 1 64 64 ILE H H 1 7.95 0.01 . . . . . . 64 ILE H . 15883 1 449 . 1 1 64 64 ILE HA H 1 4.06 0.01 . . . . . . 64 ILE HA . 15883 1 450 . 1 1 64 64 ILE HB H 1 1.87 0.01 . . . . . . 64 ILE HB . 15883 1 451 . 1 1 64 64 ILE C C 13 176.83 0.01 . . . . . . 64 ILE C . 15883 1 452 . 1 1 64 64 ILE CA C 13 61.82 0.01 . . . . . . 64 ILE CA . 15883 1 453 . 1 1 64 64 ILE CB C 13 38.46 0.01 . . . . . . 64 ILE CB . 15883 1 454 . 1 1 64 64 ILE N N 15 119.39 0.01 . . . . . . 64 ILE N . 15883 1 455 . 1 1 65 65 ARG H H 1 8.18 0.01 . . . . . . 65 ARG H . 15883 1 456 . 1 1 65 65 ARG HA H 1 4.29 0.01 . . . . . . 65 ARG HA . 15883 1 457 . 1 1 65 65 ARG HB2 H 1 1.80 0.01 . . . . . . 65 ARG HB2 . 15883 1 458 . 1 1 65 65 ARG C C 13 176.24 0.01 . . . . . . 65 ARG C . 15883 1 459 . 1 1 65 65 ARG CA C 13 56.50 0.01 . . . . . . 65 ARG CA . 15883 1 460 . 1 1 65 65 ARG CB C 13 30.60 0.01 . . . . . . 65 ARG CB . 15883 1 461 . 1 1 65 65 ARG N N 15 124.50 0.01 . . . . . . 65 ARG N . 15883 1 462 . 1 1 66 66 ALA H H 1 8.17 0.01 . . . . . . 66 ALA H . 15883 1 463 . 1 1 66 66 ALA HA H 1 4.29 0.01 . . . . . . 66 ALA HA . 15883 1 464 . 1 1 66 66 ALA HB1 H 1 1.39 0.01 . . . . . . 66 ALA HB . 15883 1 465 . 1 1 66 66 ALA HB2 H 1 1.39 0.01 . . . . . . 66 ALA HB . 15883 1 466 . 1 1 66 66 ALA HB3 H 1 1.39 0.01 . . . . . . 66 ALA HB . 15883 1 467 . 1 1 66 66 ALA C C 13 177.82 0.01 . . . . . . 66 ALA C . 15883 1 468 . 1 1 66 66 ALA CA C 13 52.68 0.01 . . . . . . 66 ALA CA . 15883 1 469 . 1 1 66 66 ALA CB C 13 19.04 0.01 . . . . . . 66 ALA CB . 15883 1 470 . 1 1 66 66 ALA N N 15 124.78 0.01 . . . . . . 66 ALA N . 15883 1 471 . 1 1 67 67 LEU H H 1 8.10 0.01 . . . . . . 67 LEU H . 15883 1 472 . 1 1 67 67 LEU HA H 1 4.29 0.01 . . . . . . 67 LEU HA . 15883 1 473 . 1 1 67 67 LEU HB2 H 1 1.65 0.01 . . . . . . 67 LEU HB2 . 15883 1 474 . 1 1 67 67 LEU HB3 H 1 1.54 0.01 . . . . . . 67 LEU HB3 . 15883 1 475 . 1 1 67 67 LEU C C 13 178.06 0.01 . . . . . . 67 LEU C . 15883 1 476 . 1 1 67 67 LEU CA C 13 55.48 0.01 . . . . . . 67 LEU CA . 15883 1 477 . 1 1 67 67 LEU CB C 13 42.53 0.01 . . . . . . 67 LEU CB . 15883 1 478 . 1 1 67 67 LEU N N 15 121.14 0.01 . . . . . . 67 LEU N . 15883 1 479 . 1 1 68 68 GLY H H 1 8.24 0.01 . . . . . . 68 GLY H . 15883 1 480 . 1 1 68 68 GLY HA2 H 1 3.92 0.01 . . . . . . 68 GLY HA2 . 15883 1 481 . 1 1 68 68 GLY C C 13 173.90 0.01 . . . . . . 68 GLY C . 15883 1 482 . 1 1 68 68 GLY CA C 13 45.32 0.01 . . . . . . 68 GLY CA . 15883 1 483 . 1 1 68 68 GLY N N 15 108.69 0.01 . . . . . . 68 GLY N . 15883 1 484 . 1 1 69 69 TYR H H 1 7.95 0.01 . . . . . . 69 TYR H . 15883 1 485 . 1 1 69 69 TYR HA H 1 4.63 0.01 . . . . . . 69 TYR HA . 15883 1 486 . 1 1 69 69 TYR HB2 H 1 3.03 0.01 . . . . . . 69 TYR HB2 . 15883 1 487 . 1 1 69 69 TYR C C 13 175.95 0.01 . . . . . . 69 TYR C . 15883 1 488 . 1 1 69 69 TYR CA C 13 58.02 0.01 . . . . . . 69 TYR CA . 15883 1 489 . 1 1 69 69 TYR CB C 13 38.73 0.01 . . . . . . 69 TYR CB . 15883 1 490 . 1 1 69 69 TYR N N 15 119.82 0.01 . . . . . . 69 TYR N . 15883 1 491 . 1 1 70 70 THR H H 1 8.03 0.01 . . . . . . 70 THR H . 15883 1 492 . 1 1 70 70 THR HA H 1 4.32 0.01 . . . . . . 70 THR HA . 15883 1 493 . 1 1 70 70 THR HB H 1 4.14 0.01 . . . . . . 70 THR HB . 15883 1 494 . 1 1 70 70 THR C C 13 173.66 0.01 . . . . . . 70 THR C . 15883 1 495 . 1 1 70 70 THR CA C 13 61.57 0.01 . . . . . . 70 THR CA . 15883 1 496 . 1 1 70 70 THR CB C 13 69.95 0.01 . . . . . . 70 THR CB . 15883 1 497 . 1 1 70 70 THR N N 15 115.91 0.01 . . . . . . 70 THR N . 15883 1 498 . 1 1 71 71 ASN H H 1 8.36 0.01 . . . . . . 71 ASN H . 15883 1 499 . 1 1 71 71 ASN HA H 1 4.70 0.01 . . . . . . 71 ASN HA . 15883 1 500 . 1 1 71 71 ASN HB2 H 1 2.76 0.01 . . . . . . 71 ASN HB2 . 15883 1 501 . 1 1 71 71 ASN C C 13 174.60 0.01 . . . . . . 71 ASN C . 15883 1 502 . 1 1 71 71 ASN CA C 13 53.19 0.01 . . . . . . 71 ASN CA . 15883 1 503 . 1 1 71 71 ASN CB C 13 38.98 0.01 . . . . . . 71 ASN CB . 15883 1 504 . 1 1 71 71 ASN N N 15 121.55 0.01 . . . . . . 71 ASN N . 15883 1 505 . 1 1 72 72 VAL H H 1 8.04 0.01 . . . . . . 72 VAL H . 15883 1 506 . 1 1 72 72 VAL C C 13 174.36 0.01 . . . . . . 72 VAL C . 15883 1 507 . 1 1 72 72 VAL CA C 13 60.06 0.01 . . . . . . 72 VAL CA . 15883 1 508 . 1 1 72 72 VAL CB C 13 32.64 0.01 . . . . . . 72 VAL CB . 15883 1 509 . 1 1 72 72 VAL N N 15 122.19 0.01 . . . . . . 72 VAL N . 15883 1 510 . 1 1 73 73 PRO HA H 1 4.44 0.01 . . . . . . 73 PRO HA . 15883 1 511 . 1 1 73 73 PRO HB2 H 1 2.29 0.01 . . . . . . 73 PRO HB2 . 15883 1 512 . 1 1 73 73 PRO HB3 H 1 1.85 0.01 . . . . . . 73 PRO HB3 . 15883 1 513 . 1 1 73 73 PRO C C 13 177.06 0.01 . . . . . . 73 PRO C . 15883 1 514 . 1 1 73 73 PRO CA C 13 63.35 0.01 . . . . . . 73 PRO CA . 15883 1 515 . 1 1 73 73 PRO CB C 13 32.03 0.01 . . . . . . 73 PRO CB . 15883 1 516 . 1 1 74 74 VAL H H 1 8.17 0.01 . . . . . . 74 VAL H . 15883 1 517 . 1 1 74 74 VAL HA H 1 4.04 0.01 . . . . . . 74 VAL HA . 15883 1 518 . 1 1 74 74 VAL HB H 1 2.03 0.01 . . . . . . 74 VAL HB . 15883 1 519 . 1 1 74 74 VAL C C 13 176.18 0.01 . . . . . . 74 VAL C . 15883 1 520 . 1 1 74 74 VAL CA C 13 62.58 0.01 . . . . . . 74 VAL CA . 15883 1 521 . 1 1 74 74 VAL CB C 13 32.88 0.01 . . . . . . 74 VAL CB . 15883 1 522 . 1 1 74 74 VAL N N 15 120.98 0.01 . . . . . . 74 VAL N . 15883 1 523 . 1 1 75 75 LYS H H 1 8.33 0.01 . . . . . . 75 LYS H . 15883 1 524 . 1 1 75 75 LYS HA H 1 4.32 0.01 . . . . . . 75 LYS HA . 15883 1 525 . 1 1 75 75 LYS HB2 H 1 1.73 0.01 . . . . . . 75 LYS HB2 . 15883 1 526 . 1 1 75 75 LYS C C 13 176.12 0.01 . . . . . . 75 LYS C . 15883 1 527 . 1 1 75 75 LYS CA C 13 55.99 0.01 . . . . . . 75 LYS CA . 15883 1 528 . 1 1 75 75 LYS CB C 13 32.89 0.01 . . . . . . 75 LYS CB . 15883 1 529 . 1 1 75 75 LYS N N 15 125.39 0.01 . . . . . . 75 LYS N . 15883 1 530 . 1 1 76 76 LEU H H 1 8.21 0.01 . . . . . . 76 LEU H . 15883 1 531 . 1 1 76 76 LEU HA H 1 4.28 0.01 . . . . . . 76 LEU HA . 15883 1 532 . 1 1 76 76 LEU HB2 H 1 1.58 0.01 . . . . . . 76 LEU HB2 . 15883 1 533 . 1 1 76 76 LEU HB3 H 1 1.44 0.01 . . . . . . 76 LEU HB3 . 15883 1 534 . 1 1 76 76 LEU C C 13 176.83 0.01 . . . . . . 76 LEU C . 15883 1 535 . 1 1 76 76 LEU CA C 13 55.22 0.01 . . . . . . 76 LEU CA . 15883 1 536 . 1 1 76 76 LEU CB C 13 42.54 0.01 . . . . . . 76 LEU CB . 15883 1 537 . 1 1 76 76 LEU N N 15 123.71 0.01 . . . . . . 76 LEU N . 15883 1 538 . 1 1 77 77 HIS H H 1 8.50 0.01 . . . . . . 77 HIS H . 15883 1 539 . 1 1 77 77 HIS C C 13 172.20 0.01 . . . . . . 77 HIS C . 15883 1 540 . 1 1 77 77 HIS N N 15 119.29 0.01 . . . . . . 77 HIS N . 15883 1 541 . 1 1 78 78 PRO HA H 1 4.44 0.01 . . . . . . 78 PRO HA . 15883 1 542 . 1 1 78 78 PRO HB2 H 1 2.29 0.01 . . . . . . 78 PRO HB2 . 15883 1 543 . 1 1 78 78 PRO HB3 H 1 1.92 0.01 . . . . . . 78 PRO HB3 . 15883 1 544 . 1 1 78 78 PRO C C 13 176.82 0.01 . . . . . . 78 PRO C . 15883 1 545 . 1 1 78 78 PRO CA C 13 63.35 0.01 . . . . . . 78 PRO CA . 15883 1 546 . 1 1 78 78 PRO CB C 13 32.11 0.01 . . . . . . 78 PRO CB . 15883 1 547 . 1 1 79 79 GLU H H 1 8.53 0.01 . . . . . . 79 GLU H . 15883 1 548 . 1 1 79 79 GLU HA H 1 4.43 0.01 . . . . . . 79 GLU HA . 15883 1 549 . 1 1 79 79 GLU HB2 H 1 2.06 0.01 . . . . . . 79 GLU HB2 . 15883 1 550 . 1 1 79 79 GLU C C 13 176.09 0.01 . . . . . . 79 GLU C . 15883 1 551 . 1 1 79 79 GLU CA C 13 55.74 0.01 . . . . . . 79 GLU CA . 15883 1 552 . 1 1 79 79 GLU CB C 13 28.82 0.01 . . . . . . 79 GLU CB . 15883 1 553 . 1 1 79 79 GLU N N 15 121.21 0.01 . . . . . . 79 GLU N . 15883 1 554 . 1 1 80 80 VAL H H 1 8.29 0.01 . . . . . . 80 VAL H . 15883 1 555 . 1 1 80 80 VAL HA H 1 4.20 0.01 . . . . . . 80 VAL HA . 15883 1 556 . 1 1 80 80 VAL HB H 1 2.09 0.01 . . . . . . 80 VAL HB . 15883 1 557 . 1 1 80 80 VAL C C 13 176.30 0.01 . . . . . . 80 VAL C . 15883 1 558 . 1 1 80 80 VAL CA C 13 62.34 0.01 . . . . . . 80 VAL CA . 15883 1 559 . 1 1 80 80 VAL CB C 13 32.87 0.01 . . . . . . 80 VAL CB . 15883 1 560 . 1 1 80 80 VAL N N 15 122.32 0.01 . . . . . . 80 VAL N . 15883 1 561 . 1 1 81 81 THR H H 1 8.24 0.01 . . . . . . 81 THR H . 15883 1 562 . 1 1 81 81 THR HA H 1 4.32 0.01 . . . . . . 81 THR HA . 15883 1 563 . 1 1 81 81 THR HB H 1 4.19 0.01 . . . . . . 81 THR HB . 15883 1 564 . 1 1 81 81 THR C C 13 174.25 0.01 . . . . . . 81 THR C . 15883 1 565 . 1 1 81 81 THR CA C 13 62.08 0.01 . . . . . . 81 THR CA . 15883 1 566 . 1 1 81 81 THR CB C 13 69.95 0.01 . . . . . . 81 THR CB . 15883 1 567 . 1 1 81 81 THR N N 15 118.82 0.01 . . . . . . 81 THR N . 15883 1 568 . 1 1 82 82 ALA H H 1 8.36 0.01 . . . . . . 82 ALA H . 15883 1 569 . 1 1 82 82 ALA HA H 1 4.39 0.01 . . . . . . 82 ALA HA . 15883 1 570 . 1 1 82 82 ALA HB1 H 1 1.42 0.01 . . . . . . 82 ALA HB . 15883 1 571 . 1 1 82 82 ALA HB2 H 1 1.42 0.01 . . . . . . 82 ALA HB . 15883 1 572 . 1 1 82 82 ALA HB3 H 1 1.42 0.01 . . . . . . 82 ALA HB . 15883 1 573 . 1 1 82 82 ALA C C 13 177.77 0.01 . . . . . . 82 ALA C . 15883 1 574 . 1 1 82 82 ALA CA C 13 52.68 0.01 . . . . . . 82 ALA CA . 15883 1 575 . 1 1 82 82 ALA CB C 13 19.17 0.01 . . . . . . 82 ALA CB . 15883 1 576 . 1 1 82 82 ALA N N 15 127.04 0.01 . . . . . . 82 ALA N . 15883 1 577 . 1 1 83 83 THR H H 1 8.12 0.01 . . . . . . 83 THR H . 15883 1 578 . 1 1 83 83 THR HA H 1 4.28 0.01 . . . . . . 83 THR HA . 15883 1 579 . 1 1 83 83 THR HB H 1 4.17 0.01 . . . . . . 83 THR HB . 15883 1 580 . 1 1 83 83 THR C C 13 174.48 0.01 . . . . . . 83 THR C . 15883 1 581 . 1 1 83 83 THR CA C 13 62.08 0.01 . . . . . . 83 THR CA . 15883 1 582 . 1 1 83 83 THR CB C 13 69.94 0.01 . . . . . . 83 THR CB . 15883 1 583 . 1 1 83 83 THR N N 15 114.08 0.01 . . . . . . 83 THR N . 15883 1 584 . 1 1 84 84 LEU H H 1 8.18 0.01 . . . . . . 84 LEU H . 15883 1 585 . 1 1 84 84 LEU HA H 1 4.37 0.01 . . . . . . 84 LEU HA . 15883 1 586 . 1 1 84 84 LEU HB2 H 1 1.61 0.01 . . . . . . 84 LEU HB2 . 15883 1 587 . 1 1 84 84 LEU C C 13 177.12 0.01 . . . . . . 84 LEU C . 15883 1 588 . 1 1 84 84 LEU CA C 13 55.36 0.01 . . . . . . 84 LEU CA . 15883 1 589 . 1 1 84 84 LEU CB C 13 42.53 0.01 . . . . . . 84 LEU CB . 15883 1 590 . 1 1 84 84 LEU N N 15 125.11 0.01 . . . . . . 84 LEU N . 15883 1 591 . 1 1 85 85 LYS H H 1 8.31 0.01 . . . . . . 85 LYS H . 15883 1 592 . 1 1 85 85 LYS HA H 1 4.35 0.01 . . . . . . 85 LYS HA . 15883 1 593 . 1 1 85 85 LYS HB2 H 1 1.75 0.01 . . . . . . 85 LYS HB2 . 15883 1 594 . 1 1 85 85 LYS C C 13 176.30 0.01 . . . . . . 85 LYS C . 15883 1 595 . 1 1 85 85 LYS CA C 13 56.24 0.01 . . . . . . 85 LYS CA . 15883 1 596 . 1 1 85 85 LYS CB C 13 32.88 0.01 . . . . . . 85 LYS CB . 15883 1 597 . 1 1 85 85 LYS N N 15 122.98 0.01 . . . . . . 85 LYS N . 15883 1 598 . 1 1 86 86 VAL H H 1 8.00 0.01 . . . . . . 86 VAL H . 15883 1 599 . 1 1 86 86 VAL HA H 1 4.08 0.01 . . . . . . 86 VAL HA . 15883 1 600 . 1 1 86 86 VAL HB H 1 2.00 0.01 . . . . . . 86 VAL HB . 15883 1 601 . 1 1 86 86 VAL C C 13 175.83 0.01 . . . . . . 86 VAL C . 15883 1 602 . 1 1 86 86 VAL CA C 13 62.33 0.01 . . . . . . 86 VAL CA . 15883 1 603 . 1 1 86 86 VAL CB C 13 32.88 0.01 . . . . . . 86 VAL CB . 15883 1 604 . 1 1 86 86 VAL N N 15 120.99 0.01 . . . . . . 86 VAL N . 15883 1 605 . 1 1 87 87 HIS H H 1 8.65 0.01 . . . . . . 87 HIS H . 15883 1 606 . 1 1 87 87 HIS HA H 1 4.76 0.01 . . . . . . 87 HIS HA . 15883 1 607 . 1 1 87 87 HIS HB2 H 1 3.19 0.01 . . . . . . 87 HIS HB2 . 15883 1 608 . 1 1 87 87 HIS C C 13 174.13 0.01 . . . . . . 87 HIS C . 15883 1 609 . 1 1 87 87 HIS CA C 13 55.22 0.01 . . . . . . 87 HIS CA . 15883 1 610 . 1 1 87 87 HIS CB C 13 28.82 0.01 . . . . . . 87 HIS CB . 15883 1 611 . 1 1 87 87 HIS N N 15 122.86 0.01 . . . . . . 87 HIS N . 15883 1 612 . 1 1 88 88 VAL H H 1 8.28 0.01 . . . . . . 88 VAL H . 15883 1 613 . 1 1 88 88 VAL HA H 1 4.18 0.01 . . . . . . 88 VAL HA . 15883 1 614 . 1 1 88 88 VAL HB H 1 2.06 0.01 . . . . . . 88 VAL HB . 15883 1 615 . 1 1 88 88 VAL C C 13 176.10 0.01 . . . . . . 88 VAL C . 15883 1 616 . 1 1 88 88 VAL CA C 13 62.33 0.01 . . . . . . 88 VAL CA . 15883 1 617 . 1 1 88 88 VAL CB C 13 32.89 0.01 . . . . . . 88 VAL CB . 15883 1 618 . 1 1 88 88 VAL N N 15 122.98 0.01 . . . . . . 88 VAL N . 15883 1 619 . 1 1 89 89 THR H H 1 8.33 0.01 . . . . . . 89 THR H . 15883 1 620 . 1 1 89 89 THR HA H 1 4.34 0.01 . . . . . . 89 THR HA . 15883 1 621 . 1 1 89 89 THR HB H 1 4.16 0.01 . . . . . . 89 THR HB . 15883 1 622 . 1 1 89 89 THR C C 13 174.25 0.01 . . . . . . 89 THR C . 15883 1 623 . 1 1 89 89 THR CA C 13 62.08 0.01 . . . . . . 89 THR CA . 15883 1 624 . 1 1 89 89 THR CB C 13 69.94 0.01 . . . . . . 89 THR CB . 15883 1 625 . 1 1 89 89 THR N N 15 119.12 0.01 . . . . . . 89 THR N . 15883 1 626 . 1 1 90 90 GLU H H 1 8.41 0.01 . . . . . . 90 GLU H . 15883 1 627 . 1 1 90 90 GLU HA H 1 4.42 0.01 . . . . . . 90 GLU HA . 15883 1 628 . 1 1 90 90 GLU HB2 H 1 2.11 0.01 . . . . . . 90 GLU HB2 . 15883 1 629 . 1 1 90 90 GLU HB3 H 1 2.00 0.01 . . . . . . 90 GLU HB3 . 15883 1 630 . 1 1 90 90 GLU C C 13 175.65 0.01 . . . . . . 90 GLU C . 15883 1 631 . 1 1 90 90 GLU CA C 13 55.62 0.01 . . . . . . 90 GLU CA . 15883 1 632 . 1 1 90 90 GLU CB C 13 28.82 0.01 . . . . . . 90 GLU CB . 15883 1 633 . 1 1 90 90 GLU N N 15 123.41 0.01 . . . . . . 90 GLU N . 15883 1 634 . 1 1 91 91 GLN H H 1 8.45 0.01 . . . . . . 91 GLN H . 15883 1 635 . 1 1 91 91 GLN HA H 1 4.36 0.01 . . . . . . 91 GLN HA . 15883 1 636 . 1 1 91 91 GLN HB2 H 1 2.05 0.01 . . . . . . 91 GLN HB2 . 15883 1 637 . 1 1 91 91 GLN C C 13 175.77 0.01 . . . . . . 91 GLN C . 15883 1 638 . 1 1 91 91 GLN CA C 13 55.99 0.01 . . . . . . 91 GLN CA . 15883 1 639 . 1 1 91 91 GLN CB C 13 29.58 0.01 . . . . . . 91 GLN CB . 15883 1 640 . 1 1 91 91 GLN N N 15 122.53 0.01 . . . . . . 91 GLN N . 15883 1 641 . 1 1 92 92 LYS H H 1 8.49 0.01 . . . . . . 92 LYS H . 15883 1 642 . 1 1 92 92 LYS C C 13 178.41 0.01 . . . . . . 92 LYS C . 15883 1 643 . 1 1 92 92 LYS CA C 13 55.73 0.01 . . . . . . 92 LYS CA . 15883 1 644 . 1 1 92 92 LYS CB C 13 32.63 0.01 . . . . . . 92 LYS CB . 15883 1 645 . 1 1 92 92 LYS N N 15 123.97 0.01 . . . . . . 92 LYS N . 15883 1 stop_ save_