data_15884 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15884 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CTL9 native state at pH 3.8 ; _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 3.0.8.116 _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 Bing Shan . . . 15884 2 Daniel Raleigh . . . 15884 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15884 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 257 15884 '15N chemical shifts' 82 15884 '1H chemical shifts' 270 15884 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' 15884 1 . . 2008-09-19 2008-07-24 original author 'original release' 15884 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15884 _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 . . . 15884 1 2 Daniel Raleigh . P. . 15884 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15884 _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 native no no . . . 15884 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CTL9 _Entity.Sf_category entity _Entity.Sf_framecode CTL9 _Entity.Entry_ID 15884 _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 ; 58 A 149 K ; _Entity.Polymer_author_seq_details 'CTL9 is the c terminal domain of protein L9, consisting of residues 58-149' _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 15883 . CTL9 . . . . . 100.00 92 100.00 100.00 2.61e-56 . . . . 15884 1 2 no BMRB 17460 . L9 . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15884 1 3 no PDB 1DIV . "Ribosomal Protein L9" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15884 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 . . . . 15884 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 . . . . 15884 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 . . . . 15884 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 . . . . 15884 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 . . . . 15884 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 . . . . 15884 1 10 no EMBL CAA43972 . "ribosomal protein L9 [Geobacillus stearothermophilus]" . . . . . 98.91 148 100.00 100.00 3.69e-55 . . . . 15884 1 11 no GB AAA22701 . "ribosomal protein L9 [Geobacillus stearothermophilus]" . . . . . 100.00 149 100.00 100.00 8.21e-56 . . . . 15884 1 12 no GB AKM20686 . "50S ribosomal protein L9 [Geobacillus sp. 12AMOR1]" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15884 1 13 no GB AKU26730 . "50S ribosomal protein L9 [Geobacillus sp. LC300]" . . . . . 100.00 149 100.00 100.00 9.56e-56 . . . . 15884 1 14 no GB KFL16938 . "50S ribosomal protein L9 [Geobacillus stearothermophilus]" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15884 1 15 no GB KFX34457 . "50S ribosomal protein L9 [Geobacillus stearothermophilus]" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15884 1 16 no PRF 0701226A . "ribosomal protein L17" . . . . . 98.91 147 98.90 98.90 3.18e-54 . . . . 15884 1 17 no PRF 1714237A . "ribosomal protein L9" . . . . . 98.91 148 100.00 100.00 3.69e-55 . . . . 15884 1 18 no REF WP_033008865 . "MULTISPECIES: 50S ribosomal protein L9 [Bacillaceae]" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15884 1 19 no REF WP_050368025 . "50S ribosomal protein L9 [Geobacillus sp. LC300]" . . . . . 100.00 149 100.00 100.00 9.56e-56 . . . . 15884 1 20 no SP P02417 . "RecName: Full=50S ribosomal protein L9; AltName: Full=BL17" . . . . . 100.00 149 100.00 100.00 7.95e-56 . . . . 15884 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 58 ALA . 15884 1 2 59 ALA . 15884 1 3 60 GLU . 15884 1 4 61 GLU . 15884 1 5 62 LEU . 15884 1 6 63 ALA . 15884 1 7 64 ASN . 15884 1 8 65 ALA . 15884 1 9 66 LYS . 15884 1 10 67 LYS . 15884 1 11 68 LEU . 15884 1 12 69 LYS . 15884 1 13 70 GLU . 15884 1 14 71 GLN . 15884 1 15 72 LEU . 15884 1 16 73 GLU . 15884 1 17 74 LYS . 15884 1 18 75 LEU . 15884 1 19 76 THR . 15884 1 20 77 VAL . 15884 1 21 78 THR . 15884 1 22 79 ILE . 15884 1 23 80 PRO . 15884 1 24 81 ALA . 15884 1 25 82 LYS . 15884 1 26 83 ALA . 15884 1 27 84 GLY . 15884 1 28 85 GLU . 15884 1 29 86 GLY . 15884 1 30 87 GLY . 15884 1 31 88 ARG . 15884 1 32 89 LEU . 15884 1 33 90 PHE . 15884 1 34 91 GLY . 15884 1 35 92 SER . 15884 1 36 93 ILE . 15884 1 37 94 THR . 15884 1 38 95 SER . 15884 1 39 96 LYS . 15884 1 40 97 GLN . 15884 1 41 98 ILE . 15884 1 42 99 ALA . 15884 1 43 100 GLU . 15884 1 44 101 SER . 15884 1 45 102 LEU . 15884 1 46 103 GLN . 15884 1 47 104 ALA . 15884 1 48 105 GLN . 15884 1 49 106 HIS . 15884 1 50 107 GLY . 15884 1 51 108 LEU . 15884 1 52 109 LYS . 15884 1 53 110 LEU . 15884 1 54 111 ASP . 15884 1 55 112 LYS . 15884 1 56 113 ARG . 15884 1 57 114 LYS . 15884 1 58 115 ILE . 15884 1 59 116 GLU . 15884 1 60 117 LEU . 15884 1 61 118 ALA . 15884 1 62 119 ASP . 15884 1 63 120 ALA . 15884 1 64 121 ILE . 15884 1 65 122 ARG . 15884 1 66 123 ALA . 15884 1 67 124 LEU . 15884 1 68 125 GLY . 15884 1 69 126 TYR . 15884 1 70 127 THR . 15884 1 71 128 ASN . 15884 1 72 129 VAL . 15884 1 73 130 PRO . 15884 1 74 131 VAL . 15884 1 75 132 LYS . 15884 1 76 133 LEU . 15884 1 77 134 HIS . 15884 1 78 135 PRO . 15884 1 79 136 GLU . 15884 1 80 137 VAL . 15884 1 81 138 THR . 15884 1 82 139 ALA . 15884 1 83 140 THR . 15884 1 84 141 LEU . 15884 1 85 142 LYS . 15884 1 86 143 VAL . 15884 1 87 144 HIS . 15884 1 88 145 VAL . 15884 1 89 146 THR . 15884 1 90 147 GLU . 15884 1 91 148 GLN . 15884 1 92 149 LYS . 15884 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 15884 1 . ALA 2 2 15884 1 . GLU 3 3 15884 1 . GLU 4 4 15884 1 . LEU 5 5 15884 1 . ALA 6 6 15884 1 . ASN 7 7 15884 1 . ALA 8 8 15884 1 . LYS 9 9 15884 1 . LYS 10 10 15884 1 . LEU 11 11 15884 1 . LYS 12 12 15884 1 . GLU 13 13 15884 1 . GLN 14 14 15884 1 . LEU 15 15 15884 1 . GLU 16 16 15884 1 . LYS 17 17 15884 1 . LEU 18 18 15884 1 . THR 19 19 15884 1 . VAL 20 20 15884 1 . THR 21 21 15884 1 . ILE 22 22 15884 1 . PRO 23 23 15884 1 . ALA 24 24 15884 1 . LYS 25 25 15884 1 . ALA 26 26 15884 1 . GLY 27 27 15884 1 . GLU 28 28 15884 1 . GLY 29 29 15884 1 . GLY 30 30 15884 1 . ARG 31 31 15884 1 . LEU 32 32 15884 1 . PHE 33 33 15884 1 . GLY 34 34 15884 1 . SER 35 35 15884 1 . ILE 36 36 15884 1 . THR 37 37 15884 1 . SER 38 38 15884 1 . LYS 39 39 15884 1 . GLN 40 40 15884 1 . ILE 41 41 15884 1 . ALA 42 42 15884 1 . GLU 43 43 15884 1 . SER 44 44 15884 1 . LEU 45 45 15884 1 . GLN 46 46 15884 1 . ALA 47 47 15884 1 . GLN 48 48 15884 1 . HIS 49 49 15884 1 . GLY 50 50 15884 1 . LEU 51 51 15884 1 . LYS 52 52 15884 1 . LEU 53 53 15884 1 . ASP 54 54 15884 1 . LYS 55 55 15884 1 . ARG 56 56 15884 1 . LYS 57 57 15884 1 . ILE 58 58 15884 1 . GLU 59 59 15884 1 . LEU 60 60 15884 1 . ALA 61 61 15884 1 . ASP 62 62 15884 1 . ALA 63 63 15884 1 . ILE 64 64 15884 1 . ARG 65 65 15884 1 . ALA 66 66 15884 1 . LEU 67 67 15884 1 . GLY 68 68 15884 1 . TYR 69 69 15884 1 . THR 70 70 15884 1 . ASN 71 71 15884 1 . VAL 72 72 15884 1 . PRO 73 73 15884 1 . VAL 74 74 15884 1 . LYS 75 75 15884 1 . LEU 76 76 15884 1 . HIS 77 77 15884 1 . PRO 78 78 15884 1 . GLU 79 79 15884 1 . VAL 80 80 15884 1 . THR 81 81 15884 1 . ALA 82 82 15884 1 . THR 83 83 15884 1 . LEU 84 84 15884 1 . LYS 85 85 15884 1 . VAL 86 86 15884 1 . HIS 87 87 15884 1 . VAL 88 88 15884 1 . THR 89 89 15884 1 . GLU 90 90 15884 1 . GLN 91 91 15884 1 . LYS 92 92 15884 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 15884 _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 . . . . . . . . . . . . . . . . . . . . . 15884 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 15884 _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 . . . . . . . . . . . . . . . . pET3a . . . . . . 15884 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15884 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM sodium acetate 100 mM sodium chloride pH 3.8 ; _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-100% 13C; U-100% 15N]' . . 1 $CTL9 . . 1 . . mM . . . . 15884 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15884 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15884 1 4 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 15884 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15884 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 15884 _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' 120 10 mM 15884 1 pH 3.8 0.1 pH 15884 1 pressure 1 . atm 15884 1 temperature 298.2 2 K 15884 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15884 _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' . . 15884 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15884 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 15884 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15884 _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 'with cryo probe' . . 15884 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 15884 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15884 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15884 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15884 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15884 1 5 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15884 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 15884 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'all chemical shifts are referenced with 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 . . . . . . . . . 15884 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15884 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15884 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_CTL9_pH_3.8_native_state _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CTL9_pH_3.8_native_state _Assigned_chem_shift_list.Entry_ID 15884 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15884 1 2 '3D HNCO' . . . 15884 1 3 '3D CBCA(CO)NH' . . . 15884 1 4 '3D HNCACB' . . . 15884 1 5 HNCACO . . . 15884 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 4.18 0.01 . . . . . . 58 ALA HA . 15884 1 2 . 1 1 1 1 ALA HB1 H 1 1.64 0.01 . . . . . . 58 ALA HB . 15884 1 3 . 1 1 1 1 ALA HB2 H 1 1.64 0.01 . . . . . . 58 ALA HB . 15884 1 4 . 1 1 1 1 ALA HB3 H 1 1.64 0.01 . . . . . . 58 ALA HB . 15884 1 5 . 1 1 1 1 ALA C C 13 173.84 0.01 . . . . . . 58 ALA C . 15884 1 6 . 1 1 1 1 ALA CA C 13 52.05 0.01 . . . . . . 58 ALA CA . 15884 1 7 . 1 1 1 1 ALA CB C 13 19.28 0.01 . . . . . . 58 ALA CB . 15884 1 8 . 1 1 2 2 ALA H H 1 8.75 0.01 . . . . . . 59 ALA H . 15884 1 9 . 1 1 2 2 ALA HA H 1 4.42 0.01 . . . . . . 59 ALA HA . 15884 1 10 . 1 1 2 2 ALA HB1 H 1 1.50 0.01 . . . . . . 59 ALA HB . 15884 1 11 . 1 1 2 2 ALA HB2 H 1 1.50 0.01 . . . . . . 59 ALA HB . 15884 1 12 . 1 1 2 2 ALA HB3 H 1 1.50 0.01 . . . . . . 59 ALA HB . 15884 1 13 . 1 1 2 2 ALA C C 13 178.24 0.01 . . . . . . 59 ALA C . 15884 1 14 . 1 1 2 2 ALA CA C 13 53.61 0.01 . . . . . . 59 ALA CA . 15884 1 15 . 1 1 2 2 ALA CB C 13 19.28 0.01 . . . . . . 59 ALA CB . 15884 1 16 . 1 1 2 2 ALA N N 15 124.89 0.01 . . . . . . 59 ALA N . 15884 1 17 . 1 1 3 3 GLU H H 1 8.74 0.01 . . . . . . 60 GLU H . 15884 1 18 . 1 1 3 3 GLU HA H 1 4.36 0.01 . . . . . . 60 GLU HA . 15884 1 19 . 1 1 3 3 GLU HB2 H 1 2.14 0.01 . . . . . . 60 GLU HB2 . 15884 1 20 . 1 1 3 3 GLU C C 13 177.02 0.01 . . . . . . 60 GLU C . 15884 1 21 . 1 1 3 3 GLU CA C 13 57.76 0.01 . . . . . . 60 GLU CA . 15884 1 22 . 1 1 3 3 GLU CB C 13 28.88 0.01 . . . . . . 60 GLU CB . 15884 1 23 . 1 1 3 3 GLU N N 15 121.21 0.01 . . . . . . 60 GLU N . 15884 1 24 . 1 1 4 4 GLU H H 1 8.51 0.01 . . . . . . 61 GLU H . 15884 1 25 . 1 1 4 4 GLU C C 13 178.63 0.01 . . . . . . 61 GLU C . 15884 1 26 . 1 1 4 4 GLU CA C 13 58.86 0.01 . . . . . . 61 GLU CA . 15884 1 27 . 1 1 4 4 GLU CB C 13 29.30 0.01 . . . . . . 61 GLU CB . 15884 1 28 . 1 1 4 4 GLU N N 15 120.88 0.01 . . . . . . 61 GLU N . 15884 1 29 . 1 1 5 5 LEU HA H 1 3.61 0.01 . . . . . . 62 LEU HA . 15884 1 30 . 1 1 5 5 LEU HB2 H 1 1.75 0.01 . . . . . . 62 LEU HB2 . 15884 1 31 . 1 1 5 5 LEU HB3 H 1 1.38 0.01 . . . . . . 62 LEU HB3 . 15884 1 32 . 1 1 5 5 LEU C C 13 177.72 0.01 . . . . . . 62 LEU C . 15884 1 33 . 1 1 5 5 LEU CA C 13 57.73 0.01 . . . . . . 62 LEU CA . 15884 1 34 . 1 1 5 5 LEU CB C 13 41.60 0.01 . . . . . . 62 LEU CB . 15884 1 35 . 1 1 6 6 ALA H H 1 8.10 0.01 . . . . . . 63 ALA H . 15884 1 36 . 1 1 6 6 ALA HA H 1 4.01 0.01 . . . . . . 63 ALA HA . 15884 1 37 . 1 1 6 6 ALA HB1 H 1 1.47 0.01 . . . . . . 63 ALA HB . 15884 1 38 . 1 1 6 6 ALA HB2 H 1 1.47 0.01 . . . . . . 63 ALA HB . 15884 1 39 . 1 1 6 6 ALA HB3 H 1 1.47 0.01 . . . . . . 63 ALA HB . 15884 1 40 . 1 1 6 6 ALA C C 13 180.92 0.01 . . . . . . 63 ALA C . 15884 1 41 . 1 1 6 6 ALA CA C 13 55.74 0.01 . . . . . . 63 ALA CA . 15884 1 42 . 1 1 6 6 ALA CB C 13 18.51 0.01 . . . . . . 63 ALA CB . 15884 1 43 . 1 1 6 6 ALA N N 15 121.92 0.01 . . . . . . 63 ALA N . 15884 1 44 . 1 1 7 7 ASN H H 1 8.29 0.01 . . . . . . 64 ASN H . 15884 1 45 . 1 1 7 7 ASN HA H 1 4.49 0.01 . . . . . . 64 ASN HA . 15884 1 46 . 1 1 7 7 ASN HB2 H 1 2.90 0.01 . . . . . . 64 ASN HB2 . 15884 1 47 . 1 1 7 7 ASN C C 13 177.70 0.01 . . . . . . 64 ASN C . 15884 1 48 . 1 1 7 7 ASN CA C 13 56.15 0.01 . . . . . . 64 ASN CA . 15884 1 49 . 1 1 7 7 ASN CB C 13 38.13 0.01 . . . . . . 64 ASN CB . 15884 1 50 . 1 1 7 7 ASN N N 15 117.42 0.01 . . . . . . 64 ASN N . 15884 1 51 . 1 1 8 8 ALA H H 1 8.07 0.01 . . . . . . 65 ALA H . 15884 1 52 . 1 1 8 8 ALA HA H 1 4.25 0.01 . . . . . . 65 ALA HA . 15884 1 53 . 1 1 8 8 ALA HB1 H 1 1.43 0.01 . . . . . . 65 ALA HB . 15884 1 54 . 1 1 8 8 ALA HB2 H 1 1.43 0.01 . . . . . . 65 ALA HB . 15884 1 55 . 1 1 8 8 ALA HB3 H 1 1.43 0.01 . . . . . . 65 ALA HB . 15884 1 56 . 1 1 8 8 ALA C C 13 179.06 0.01 . . . . . . 65 ALA C . 15884 1 57 . 1 1 8 8 ALA CA C 13 55.59 0.01 . . . . . . 65 ALA CA . 15884 1 58 . 1 1 8 8 ALA CB C 13 18.85 0.01 . . . . . . 65 ALA CB . 15884 1 59 . 1 1 8 8 ALA N N 15 124.80 0.01 . . . . . . 65 ALA N . 15884 1 60 . 1 1 9 9 LYS H H 1 8.30 0.01 . . . . . . 66 LYS H . 15884 1 61 . 1 1 9 9 LYS HA H 1 3.85 0.01 . . . . . . 66 LYS HA . 15884 1 62 . 1 1 9 9 LYS HB2 H 1 1.89 0.01 . . . . . . 66 LYS HB2 . 15884 1 63 . 1 1 9 9 LYS C C 13 179.20 0.01 . . . . . . 66 LYS C . 15884 1 64 . 1 1 9 9 LYS CA C 13 60.83 0.01 . . . . . . 66 LYS CA . 15884 1 65 . 1 1 9 9 LYS CB C 13 32.54 0.01 . . . . . . 66 LYS CB . 15884 1 66 . 1 1 9 9 LYS N N 15 118.64 0.01 . . . . . . 66 LYS N . 15884 1 67 . 1 1 10 10 LYS H H 1 7.74 0.01 . . . . . . 67 LYS H . 15884 1 68 . 1 1 10 10 LYS HA H 1 4.16 0.01 . . . . . . 67 LYS HA . 15884 1 69 . 1 1 10 10 LYS HB2 H 1 1.95 0.01 . . . . . . 67 LYS HB2 . 15884 1 70 . 1 1 10 10 LYS C C 13 179.04 0.01 . . . . . . 67 LYS C . 15884 1 71 . 1 1 10 10 LYS CA C 13 59.81 0.01 . . . . . . 67 LYS CA . 15884 1 72 . 1 1 10 10 LYS CB C 13 32.71 0.01 . . . . . . 67 LYS CB . 15884 1 73 . 1 1 10 10 LYS N N 15 120.99 0.01 . . . . . . 67 LYS N . 15884 1 74 . 1 1 11 11 LEU H H 1 7.99 0.01 . . . . . . 68 LEU H . 15884 1 75 . 1 1 11 11 LEU HA H 1 4.28 0.01 . . . . . . 68 LEU HA . 15884 1 76 . 1 1 11 11 LEU HB2 H 1 1.75 0.01 . . . . . . 68 LEU HB2 . 15884 1 77 . 1 1 11 11 LEU C C 13 178.55 0.01 . . . . . . 68 LEU C . 15884 1 78 . 1 1 11 11 LEU CA C 13 57.77 0.01 . . . . . . 68 LEU CA . 15884 1 79 . 1 1 11 11 LEU CB C 13 42.15 0.01 . . . . . . 68 LEU CB . 15884 1 80 . 1 1 11 11 LEU N N 15 122.53 0.01 . . . . . . 68 LEU N . 15884 1 81 . 1 1 12 12 LYS H H 1 8.44 0.01 . . . . . . 69 LYS H . 15884 1 82 . 1 1 12 12 LYS HA H 1 3.68 0.01 . . . . . . 69 LYS HA . 15884 1 83 . 1 1 12 12 LYS HB2 H 1 2.13 0.01 . . . . . . 69 LYS HB2 . 15884 1 84 . 1 1 12 12 LYS HB3 H 1 1.60 0.01 . . . . . . 69 LYS HB3 . 15884 1 85 . 1 1 12 12 LYS C C 13 176.92 0.01 . . . . . . 69 LYS C . 15884 1 86 . 1 1 12 12 LYS CA C 13 60.45 0.01 . . . . . . 69 LYS CA . 15884 1 87 . 1 1 12 12 LYS CB C 13 32.78 0.01 . . . . . . 69 LYS CB . 15884 1 88 . 1 1 12 12 LYS N N 15 121.47 0.01 . . . . . . 69 LYS N . 15884 1 89 . 1 1 13 13 GLU H H 1 7.51 0.01 . . . . . . 70 GLU H . 15884 1 90 . 1 1 13 13 GLU HA H 1 4.07 0.01 . . . . . . 70 GLU HA . 15884 1 91 . 1 1 13 13 GLU HB2 H 1 2.22 0.01 . . . . . . 70 GLU HB2 . 15884 1 92 . 1 1 13 13 GLU C C 13 178.81 0.01 . . . . . . 70 GLU C . 15884 1 93 . 1 1 13 13 GLU CA C 13 58.88 0.01 . . . . . . 70 GLU CA . 15884 1 94 . 1 1 13 13 GLU CB C 13 28.49 0.01 . . . . . . 70 GLU CB . 15884 1 95 . 1 1 13 13 GLU N N 15 116.83 0.01 . . . . . . 70 GLU N . 15884 1 96 . 1 1 14 14 GLN H H 1 7.70 0.01 . . . . . . 71 GLN H . 15884 1 97 . 1 1 14 14 GLN HA H 1 4.03 0.01 . . . . . . 71 GLN HA . 15884 1 98 . 1 1 14 14 GLN HB2 H 1 2.27 0.01 . . . . . . 71 GLN HB2 . 15884 1 99 . 1 1 14 14 GLN HB3 H 1 2.10 0.01 . . . . . . 71 GLN HB3 . 15884 1 100 . 1 1 14 14 GLN C C 13 179.48 0.01 . . . . . . 71 GLN C . 15884 1 101 . 1 1 14 14 GLN CA C 13 58.85 0.01 . . . . . . 71 GLN CA . 15884 1 102 . 1 1 14 14 GLN CB C 13 29.53 0.01 . . . . . . 71 GLN CB . 15884 1 103 . 1 1 14 14 GLN N N 15 117.81 0.01 . . . . . . 71 GLN N . 15884 1 104 . 1 1 15 15 LEU H H 1 8.84 0.01 . . . . . . 72 LEU H . 15884 1 105 . 1 1 15 15 LEU HA H 1 3.82 0.01 . . . . . . 72 LEU HA . 15884 1 106 . 1 1 15 15 LEU HB2 H 1 1.85 0.01 . . . . . . 72 LEU HB2 . 15884 1 107 . 1 1 15 15 LEU HB3 H 1 1.32 0.01 . . . . . . 72 LEU HB3 . 15884 1 108 . 1 1 15 15 LEU C C 13 179.10 0.01 . . . . . . 72 LEU C . 15884 1 109 . 1 1 15 15 LEU CA C 13 58.06 0.01 . . . . . . 72 LEU CA . 15884 1 110 . 1 1 15 15 LEU CB C 13 42.64 0.01 . . . . . . 72 LEU CB . 15884 1 111 . 1 1 15 15 LEU N N 15 119.22 0.01 . . . . . . 72 LEU N . 15884 1 112 . 1 1 16 16 GLU H H 1 7.91 0.01 . . . . . . 73 GLU H . 15884 1 113 . 1 1 16 16 GLU HA H 1 4.35 0.01 . . . . . . 73 GLU HA . 15884 1 114 . 1 1 16 16 GLU HB2 H 1 2.27 0.01 . . . . . . 73 GLU HB2 . 15884 1 115 . 1 1 16 16 GLU HB3 H 1 2.06 0.01 . . . . . . 73 GLU HB3 . 15884 1 116 . 1 1 16 16 GLU C C 13 176.62 0.01 . . . . . . 73 GLU C . 15884 1 117 . 1 1 16 16 GLU CA C 13 58.68 0.01 . . . . . . 73 GLU CA . 15884 1 118 . 1 1 16 16 GLU CB C 13 28.58 0.01 . . . . . . 73 GLU CB . 15884 1 119 . 1 1 16 16 GLU N N 15 115.03 0.01 . . . . . . 73 GLU N . 15884 1 120 . 1 1 17 17 LYS H H 1 7.20 0.01 . . . . . . 74 LYS H . 15884 1 121 . 1 1 17 17 LYS HA H 1 4.52 0.01 . . . . . . 74 LYS HA . 15884 1 122 . 1 1 17 17 LYS HB2 H 1 2.06 0.01 . . . . . . 74 LYS HB2 . 15884 1 123 . 1 1 17 17 LYS HB3 H 1 1.82 0.01 . . . . . . 74 LYS HB3 . 15884 1 124 . 1 1 17 17 LYS C C 13 176.56 0.01 . . . . . . 74 LYS C . 15884 1 125 . 1 1 17 17 LYS CA C 13 56.37 0.01 . . . . . . 74 LYS CA . 15884 1 126 . 1 1 17 17 LYS CB C 13 33.86 0.01 . . . . . . 74 LYS CB . 15884 1 127 . 1 1 17 17 LYS N N 15 117.23 0.01 . . . . . . 74 LYS N . 15884 1 128 . 1 1 18 18 LEU H H 1 7.32 0.01 . . . . . . 75 LEU H . 15884 1 129 . 1 1 18 18 LEU HA H 1 4.63 0.01 . . . . . . 75 LEU HA . 15884 1 130 . 1 1 18 18 LEU HB2 H 1 1.54 0.01 . . . . . . 75 LEU HB2 . 15884 1 131 . 1 1 18 18 LEU HB3 H 1 0.94 0.01 . . . . . . 75 LEU HB3 . 15884 1 132 . 1 1 18 18 LEU C C 13 176.05 0.01 . . . . . . 75 LEU C . 15884 1 133 . 1 1 18 18 LEU CA C 13 54.53 0.01 . . . . . . 75 LEU CA . 15884 1 134 . 1 1 18 18 LEU CB C 13 44.77 0.01 . . . . . . 75 LEU CB . 15884 1 135 . 1 1 18 18 LEU N N 15 118.63 0.01 . . . . . . 75 LEU N . 15884 1 136 . 1 1 19 19 THR H H 1 8.37 0.01 . . . . . . 76 THR H . 15884 1 137 . 1 1 19 19 THR HA H 1 4.98 0.01 . . . . . . 76 THR HA . 15884 1 138 . 1 1 19 19 THR HB H 1 4.03 0.01 . . . . . . 76 THR HB . 15884 1 139 . 1 1 19 19 THR C C 13 174.63 0.01 . . . . . . 76 THR C . 15884 1 140 . 1 1 19 19 THR CA C 13 62.76 0.01 . . . . . . 76 THR CA . 15884 1 141 . 1 1 19 19 THR CB C 13 71.63 0.01 . . . . . . 76 THR CB . 15884 1 142 . 1 1 19 19 THR N N 15 115.74 0.01 . . . . . . 76 THR N . 15884 1 143 . 1 1 20 20 VAL H H 1 8.94 0.01 . . . . . . 77 VAL H . 15884 1 144 . 1 1 20 20 VAL HA H 1 4.63 0.01 . . . . . . 77 VAL HA . 15884 1 145 . 1 1 20 20 VAL HB H 1 2.09 0.01 . . . . . . 77 VAL HB . 15884 1 146 . 1 1 20 20 VAL C C 13 174.06 0.01 . . . . . . 77 VAL C . 15884 1 147 . 1 1 20 20 VAL CA C 13 61.74 0.01 . . . . . . 77 VAL CA . 15884 1 148 . 1 1 20 20 VAL CB C 13 34.04 0.01 . . . . . . 77 VAL CB . 15884 1 149 . 1 1 20 20 VAL N N 15 127.88 0.01 . . . . . . 77 VAL N . 15884 1 150 . 1 1 21 21 THR H H 1 9.18 0.01 . . . . . . 78 THR H . 15884 1 151 . 1 1 21 21 THR HA H 1 5.40 0.01 . . . . . . 78 THR HA . 15884 1 152 . 1 1 21 21 THR HB H 1 4.00 0.01 . . . . . . 78 THR HB . 15884 1 153 . 1 1 21 21 THR C C 13 174.45 0.01 . . . . . . 78 THR C . 15884 1 154 . 1 1 21 21 THR CA C 13 62.66 0.01 . . . . . . 78 THR CA . 15884 1 155 . 1 1 21 21 THR CB C 13 69.94 0.01 . . . . . . 78 THR CB . 15884 1 156 . 1 1 21 21 THR N N 15 127.28 0.01 . . . . . . 78 THR N . 15884 1 157 . 1 1 22 22 ILE H H 1 8.94 0.01 . . . . . . 79 ILE H . 15884 1 158 . 1 1 22 22 ILE C C 13 172.31 0.01 . . . . . . 79 ILE C . 15884 1 159 . 1 1 22 22 ILE CA C 13 58.67 0.01 . . . . . . 79 ILE CA . 15884 1 160 . 1 1 22 22 ILE CB C 13 42.31 0.01 . . . . . . 79 ILE CB . 15884 1 161 . 1 1 22 22 ILE N N 15 129.18 0.01 . . . . . . 79 ILE N . 15884 1 162 . 1 1 23 23 PRO HA H 1 5.02 0.01 . . . . . . 80 PRO HA . 15884 1 163 . 1 1 23 23 PRO HB2 H 1 1.96 0.01 . . . . . . 80 PRO HB2 . 15884 1 164 . 1 1 23 23 PRO HB3 H 1 1.71 0.01 . . . . . . 80 PRO HB3 . 15884 1 165 . 1 1 23 23 PRO C C 13 177.37 0.01 . . . . . . 80 PRO C . 15884 1 166 . 1 1 23 23 PRO CA C 13 61.45 0.01 . . . . . . 80 PRO CA . 15884 1 167 . 1 1 23 23 PRO CB C 13 32.58 0.01 . . . . . . 80 PRO CB . 15884 1 168 . 1 1 24 24 ALA H H 1 9.16 0.01 . . . . . . 81 ALA H . 15884 1 169 . 1 1 24 24 ALA HA H 1 4.56 0.01 . . . . . . 81 ALA HA . 15884 1 170 . 1 1 24 24 ALA HB1 H 1 1.22 0.01 . . . . . . 81 ALA HB . 15884 1 171 . 1 1 24 24 ALA HB2 H 1 1.22 0.01 . . . . . . 81 ALA HB . 15884 1 172 . 1 1 24 24 ALA HB3 H 1 1.22 0.01 . . . . . . 81 ALA HB . 15884 1 173 . 1 1 24 24 ALA C C 13 176.04 0.01 . . . . . . 81 ALA C . 15884 1 174 . 1 1 24 24 ALA CA C 13 51.67 0.01 . . . . . . 81 ALA CA . 15884 1 175 . 1 1 24 24 ALA CB C 13 24.22 0.01 . . . . . . 81 ALA CB . 15884 1 176 . 1 1 24 24 ALA N N 15 125.88 0.01 . . . . . . 81 ALA N . 15884 1 177 . 1 1 25 25 LYS H H 1 8.40 0.01 . . . . . . 82 LYS H . 15884 1 178 . 1 1 25 25 LYS HA H 1 4.52 0.01 . . . . . . 82 LYS HA . 15884 1 179 . 1 1 25 25 LYS HB2 H 1 1.82 0.01 . . . . . . 82 LYS HB2 . 15884 1 180 . 1 1 25 25 LYS C C 13 175.67 0.01 . . . . . . 82 LYS C . 15884 1 181 . 1 1 25 25 LYS CA C 13 57.07 0.01 . . . . . . 82 LYS CA . 15884 1 182 . 1 1 25 25 LYS CB C 13 33.59 0.01 . . . . . . 82 LYS CB . 15884 1 183 . 1 1 25 25 LYS N N 15 122.21 0.01 . . . . . . 82 LYS N . 15884 1 184 . 1 1 26 26 ALA H H 1 8.68 0.01 . . . . . . 83 ALA H . 15884 1 185 . 1 1 26 26 ALA HA H 1 4.63 0.01 . . . . . . 83 ALA HA . 15884 1 186 . 1 1 26 26 ALA HB1 H 1 1.15 0.01 . . . . . . 83 ALA HB . 15884 1 187 . 1 1 26 26 ALA HB2 H 1 1.15 0.01 . . . . . . 83 ALA HB . 15884 1 188 . 1 1 26 26 ALA HB3 H 1 1.15 0.01 . . . . . . 83 ALA HB . 15884 1 189 . 1 1 26 26 ALA C C 13 176.67 0.01 . . . . . . 83 ALA C . 15884 1 190 . 1 1 26 26 ALA CA C 13 51.20 0.01 . . . . . . 83 ALA CA . 15884 1 191 . 1 1 26 26 ALA CB C 13 23.30 0.01 . . . . . . 83 ALA CB . 15884 1 192 . 1 1 26 26 ALA N N 15 128.06 0.01 . . . . . . 83 ALA N . 15884 1 193 . 1 1 27 27 GLY H H 1 8.18 0.01 . . . . . . 84 GLY H . 15884 1 194 . 1 1 27 27 GLY C C 13 174.46 0.01 . . . . . . 84 GLY C . 15884 1 195 . 1 1 27 27 GLY CA C 13 44.01 0.01 . . . . . . 84 GLY CA . 15884 1 196 . 1 1 27 27 GLY N N 15 108.99 0.01 . . . . . . 84 GLY N . 15884 1 197 . 1 1 28 28 GLU H H 1 8.67 0.01 . . . . . . 85 GLU H . 15884 1 198 . 1 1 28 28 GLU HA H 1 4.18 0.01 . . . . . . 85 GLU HA . 15884 1 199 . 1 1 28 28 GLU HB2 H 1 2.10 0.01 . . . . . . 85 GLU HB2 . 15884 1 200 . 1 1 28 28 GLU C C 13 178.17 0.01 . . . . . . 85 GLU C . 15884 1 201 . 1 1 28 28 GLU CA C 13 57.67 0.01 . . . . . . 85 GLU CA . 15884 1 202 . 1 1 28 28 GLU CB C 13 28.83 0.01 . . . . . . 85 GLU CB . 15884 1 203 . 1 1 28 28 GLU N N 15 123.58 0.01 . . . . . . 85 GLU N . 15884 1 204 . 1 1 29 29 GLY H H 1 9.00 0.01 . . . . . . 86 GLY H . 15884 1 205 . 1 1 29 29 GLY HA2 H 1 4.00 0.01 . . . . . . 86 GLY HA2 . 15884 1 206 . 1 1 29 29 GLY C C 13 175.15 0.01 . . . . . . 86 GLY C . 15884 1 207 . 1 1 29 29 GLY CA C 13 46.32 0.01 . . . . . . 86 GLY CA . 15884 1 208 . 1 1 29 29 GLY N N 15 112.80 0.01 . . . . . . 86 GLY N . 15884 1 209 . 1 1 30 30 GLY H H 1 8.16 0.01 . . . . . . 87 GLY H . 15884 1 210 . 1 1 30 30 GLY C C 13 173.18 0.01 . . . . . . 87 GLY C . 15884 1 211 . 1 1 30 30 GLY CA C 13 46.10 0.01 . . . . . . 87 GLY CA . 15884 1 212 . 1 1 30 30 GLY N N 15 107.94 0.01 . . . . . . 87 GLY N . 15884 1 213 . 1 1 31 31 ARG H H 1 7.12 0.01 . . . . . . 88 ARG H . 15884 1 214 . 1 1 31 31 ARG C C 13 176.54 0.01 . . . . . . 88 ARG C . 15884 1 215 . 1 1 31 31 ARG CA C 13 56.30 0.01 . . . . . . 88 ARG CA . 15884 1 216 . 1 1 31 31 ARG CB C 13 30.60 0.01 . . . . . . 88 ARG CB . 15884 1 217 . 1 1 31 31 ARG N N 15 119.58 0.01 . . . . . . 88 ARG N . 15884 1 218 . 1 1 32 32 LEU HA H 1 4.31 0.01 . . . . . . 89 LEU HA . 15884 1 219 . 1 1 32 32 LEU HB2 H 1 1.51 0.01 . . . . . . 89 LEU HB2 . 15884 1 220 . 1 1 32 32 LEU C C 13 177.77 0.01 . . . . . . 89 LEU C . 15884 1 221 . 1 1 32 32 LEU CA C 13 55.30 0.01 . . . . . . 89 LEU CA . 15884 1 222 . 1 1 32 32 LEU CB C 13 42.09 0.01 . . . . . . 89 LEU CB . 15884 1 223 . 1 1 33 33 PHE H H 1 7.91 0.01 . . . . . . 90 PHE H . 15884 1 224 . 1 1 33 33 PHE HA H 1 4.56 0.01 . . . . . . 90 PHE HA . 15884 1 225 . 1 1 33 33 PHE HB2 H 1 3.23 0.01 . . . . . . 90 PHE HB2 . 15884 1 226 . 1 1 33 33 PHE HB3 H 1 2.84 0.01 . . . . . . 90 PHE HB3 . 15884 1 227 . 1 1 33 33 PHE C C 13 176.63 0.01 . . . . . . 90 PHE C . 15884 1 228 . 1 1 33 33 PHE CA C 13 59.20 0.01 . . . . . . 90 PHE CA . 15884 1 229 . 1 1 33 33 PHE CB C 13 39.12 0.01 . . . . . . 90 PHE CB . 15884 1 230 . 1 1 33 33 PHE N N 15 120.97 0.01 . . . . . . 90 PHE N . 15884 1 231 . 1 1 34 34 GLY H H 1 8.28 0.01 . . . . . . 91 GLY H . 15884 1 232 . 1 1 34 34 GLY HA2 H 1 3.89 0.01 . . . . . . 91 GLY HA2 . 15884 1 233 . 1 1 34 34 GLY CA C 13 44.74 0.01 . . . . . . 91 GLY CA . 15884 1 234 . 1 1 34 34 GLY N N 15 110.29 0.01 . . . . . . 91 GLY N . 15884 1 235 . 1 1 35 35 SER H H 1 8.14 0.01 . . . . . . 92 SER H . 15884 1 236 . 1 1 35 35 SER CA C 13 58.02 0.01 . . . . . . 92 SER CA . 15884 1 237 . 1 1 35 35 SER CB C 13 65.52 0.01 . . . . . . 92 SER CB . 15884 1 238 . 1 1 35 35 SER N N 15 115.74 0.01 . . . . . . 92 SER N . 15884 1 239 . 1 1 36 36 ILE HA H 1 4.52 0.01 . . . . . . 93 ILE HA . 15884 1 240 . 1 1 36 36 ILE HB H 1 1.88 0.01 . . . . . . 93 ILE HB . 15884 1 241 . 1 1 36 36 ILE C C 13 175.26 0.01 . . . . . . 93 ILE C . 15884 1 242 . 1 1 36 36 ILE CA C 13 60.56 0.01 . . . . . . 93 ILE CA . 15884 1 243 . 1 1 36 36 ILE CB C 13 38.58 0.01 . . . . . . 93 ILE CB . 15884 1 244 . 1 1 36 36 ILE N N 15 122.54 0.01 . . . . . . 93 ILE N . 15884 1 245 . 1 1 37 37 THR H H 1 8.21 0.01 . . . . . . 94 THR H . 15884 1 246 . 1 1 37 37 THR HA H 1 4.81 0.01 . . . . . . 94 THR HA . 15884 1 247 . 1 1 37 37 THR C C 13 175.90 0.01 . . . . . . 94 THR C . 15884 1 248 . 1 1 37 37 THR CA C 13 60.41 0.01 . . . . . . 94 THR CA . 15884 1 249 . 1 1 37 37 THR CB C 13 72.75 0.01 . . . . . . 94 THR CB . 15884 1 250 . 1 1 37 37 THR N N 15 116.52 0.01 . . . . . . 94 THR N . 15884 1 251 . 1 1 38 38 SER H H 1 9.32 0.01 . . . . . . 95 SER H . 15884 1 252 . 1 1 38 38 SER C C 13 175.36 0.01 . . . . . . 95 SER C . 15884 1 253 . 1 1 38 38 SER CA C 13 58.20 0.01 . . . . . . 95 SER CA . 15884 1 254 . 1 1 38 38 SER CB C 13 63.14 0.01 . . . . . . 95 SER CB . 15884 1 255 . 1 1 38 38 SER N N 15 117.14 0.01 . . . . . . 95 SER N . 15884 1 256 . 1 1 39 39 LYS HA H 1 3.96 0.01 . . . . . . 96 LYS HA . 15884 1 257 . 1 1 39 39 LYS HB2 H 1 1.92 0.01 . . . . . . 96 LYS HB2 . 15884 1 258 . 1 1 39 39 LYS HB3 H 1 1.78 0.01 . . . . . . 96 LYS HB3 . 15884 1 259 . 1 1 39 39 LYS C C 13 177.85 0.01 . . . . . . 96 LYS C . 15884 1 260 . 1 1 39 39 LYS CA C 13 60.09 0.01 . . . . . . 96 LYS CA . 15884 1 261 . 1 1 39 39 LYS CB C 13 33.08 0.01 . . . . . . 96 LYS CB . 15884 1 262 . 1 1 40 40 GLN H H 1 7.51 0.01 . . . . . . 97 GLN H . 15884 1 263 . 1 1 40 40 GLN HA H 1 4.24 0.01 . . . . . . 97 GLN HA . 15884 1 264 . 1 1 40 40 GLN HB2 H 1 2.42 0.01 . . . . . . 97 GLN HB2 . 15884 1 265 . 1 1 40 40 GLN HB3 H 1 2.19 0.01 . . . . . . 97 GLN HB3 . 15884 1 266 . 1 1 40 40 GLN C C 13 179.50 0.01 . . . . . . 97 GLN C . 15884 1 267 . 1 1 40 40 GLN CA C 13 60.09 0.01 . . . . . . 97 GLN CA . 15884 1 268 . 1 1 40 40 GLN CB C 13 29.27 0.01 . . . . . . 97 GLN CB . 15884 1 269 . 1 1 40 40 GLN N N 15 118.71 0.01 . . . . . . 97 GLN N . 15884 1 270 . 1 1 41 41 ILE H H 1 7.96 0.01 . . . . . . 98 ILE H . 15884 1 271 . 1 1 41 41 ILE HA H 1 3.57 0.01 . . . . . . 98 ILE HA . 15884 1 272 . 1 1 41 41 ILE HB H 1 1.89 0.01 . . . . . . 98 ILE HB . 15884 1 273 . 1 1 41 41 ILE C C 13 176.94 0.01 . . . . . . 98 ILE C . 15884 1 274 . 1 1 41 41 ILE CA C 13 66.48 0.01 . . . . . . 98 ILE CA . 15884 1 275 . 1 1 41 41 ILE CB C 13 38.32 0.01 . . . . . . 98 ILE CB . 15884 1 276 . 1 1 41 41 ILE N N 15 120.88 0.01 . . . . . . 98 ILE N . 15884 1 277 . 1 1 42 42 ALA H H 1 8.50 0.01 . . . . . . 99 ALA H . 15884 1 278 . 1 1 42 42 ALA HA H 1 3.99 0.01 . . . . . . 99 ALA HA . 15884 1 279 . 1 1 42 42 ALA HB1 H 1 1.61 0.01 . . . . . . 99 ALA HB . 15884 1 280 . 1 1 42 42 ALA HB2 H 1 1.61 0.01 . . . . . . 99 ALA HB . 15884 1 281 . 1 1 42 42 ALA HB3 H 1 1.61 0.01 . . . . . . 99 ALA HB . 15884 1 282 . 1 1 42 42 ALA C C 13 181.33 0.01 . . . . . . 99 ALA C . 15884 1 283 . 1 1 42 42 ALA CA C 13 56.24 0.01 . . . . . . 99 ALA CA . 15884 1 284 . 1 1 42 42 ALA CB C 13 17.87 0.01 . . . . . . 99 ALA CB . 15884 1 285 . 1 1 42 42 ALA N N 15 122.47 0.01 . . . . . . 99 ALA N . 15884 1 286 . 1 1 43 43 GLU H H 1 8.52 0.01 . . . . . . 100 GLU H . 15884 1 287 . 1 1 43 43 GLU C C 13 179.54 0.01 . . . . . . 100 GLU C . 15884 1 288 . 1 1 43 43 GLU CA C 13 59.89 0.01 . . . . . . 100 GLU CA . 15884 1 289 . 1 1 43 43 GLU CB C 13 28.89 0.01 . . . . . . 100 GLU CB . 15884 1 290 . 1 1 43 43 GLU N N 15 119.82 0.01 . . . . . . 100 GLU N . 15884 1 291 . 1 1 44 44 SER H H 1 8.38 0.01 . . . . . . 101 SER H . 15884 1 292 . 1 1 44 44 SER HA H 1 3.91 0.01 . . . . . . 101 SER HA . 15884 1 293 . 1 1 44 44 SER HB2 H 1 3.91 0.01 . . . . . . 101 SER HB2 . 15884 1 294 . 1 1 44 44 SER C C 13 175.95 0.01 . . . . . . 101 SER C . 15884 1 295 . 1 1 44 44 SER CA C 13 59.07 0.01 . . . . . . 101 SER CA . 15884 1 296 . 1 1 44 44 SER CB C 13 63.23 0.01 . . . . . . 101 SER CB . 15884 1 297 . 1 1 44 44 SER N N 15 118.66 0.01 . . . . . . 101 SER N . 15884 1 298 . 1 1 45 45 LEU H H 1 8.59 0.01 . . . . . . 102 LEU H . 15884 1 299 . 1 1 45 45 LEU HA H 1 4.07 0.01 . . . . . . 102 LEU HA . 15884 1 300 . 1 1 45 45 LEU HB2 H 1 2.13 0.01 . . . . . . 102 LEU HB2 . 15884 1 301 . 1 1 45 45 LEU HB3 H 1 1.64 0.01 . . . . . . 102 LEU HB3 . 15884 1 302 . 1 1 45 45 LEU C C 13 178.75 0.01 . . . . . . 102 LEU C . 15884 1 303 . 1 1 45 45 LEU CA C 13 59.07 0.01 . . . . . . 102 LEU CA . 15884 1 304 . 1 1 45 45 LEU CB C 13 42.30 0.01 . . . . . . 102 LEU CB . 15884 1 305 . 1 1 45 45 LEU N N 15 123.70 0.01 . . . . . . 102 LEU N . 15884 1 306 . 1 1 46 46 GLN H H 1 7.73 0.01 . . . . . . 103 GLN H . 15884 1 307 . 1 1 46 46 GLN HA H 1 4.00 0.01 . . . . . . 103 GLN HA . 15884 1 308 . 1 1 46 46 GLN HB2 H 1 2.24 0.01 . . . . . . 103 GLN HB2 . 15884 1 309 . 1 1 46 46 GLN C C 13 178.77 0.01 . . . . . . 103 GLN C . 15884 1 310 . 1 1 46 46 GLN CA C 13 59.88 0.01 . . . . . . 103 GLN CA . 15884 1 311 . 1 1 46 46 GLN CB C 13 28.39 0.01 . . . . . . 103 GLN CB . 15884 1 312 . 1 1 46 46 GLN N N 15 120.97 0.01 . . . . . . 103 GLN N . 15884 1 313 . 1 1 47 47 ALA H H 1 8.38 0.01 . . . . . . 104 ALA H . 15884 1 314 . 1 1 47 47 ALA HA H 1 4.16 0.01 . . . . . . 104 ALA HA . 15884 1 315 . 1 1 47 47 ALA HB1 H 1 1.62 0.01 . . . . . . 104 ALA HB . 15884 1 316 . 1 1 47 47 ALA HB2 H 1 1.62 0.01 . . . . . . 104 ALA HB . 15884 1 317 . 1 1 47 47 ALA HB3 H 1 1.62 0.01 . . . . . . 104 ALA HB . 15884 1 318 . 1 1 47 47 ALA C C 13 179.95 0.01 . . . . . . 104 ALA C . 15884 1 319 . 1 1 47 47 ALA CA C 13 55.71 0.01 . . . . . . 104 ALA CA . 15884 1 320 . 1 1 47 47 ALA CB C 13 19.18 0.01 . . . . . . 104 ALA CB . 15884 1 321 . 1 1 47 47 ALA N N 15 122.96 0.01 . . . . . . 104 ALA N . 15884 1 322 . 1 1 48 48 GLN H H 1 8.46 0.01 . . . . . . 105 GLN H . 15884 1 323 . 1 1 48 48 GLN HA H 1 4.21 0.01 . . . . . . 105 GLN HA . 15884 1 324 . 1 1 48 48 GLN HB2 H 1 1.92 0.01 . . . . . . 105 GLN HB2 . 15884 1 325 . 1 1 48 48 GLN HB3 H 1 1.64 0.01 . . . . . . 105 GLN HB3 . 15884 1 326 . 1 1 48 48 GLN CA C 13 57.52 0.01 . . . . . . 105 GLN CA . 15884 1 327 . 1 1 48 48 GLN CB C 13 29.89 0.01 . . . . . . 105 GLN CB . 15884 1 328 . 1 1 48 48 GLN N N 15 112.77 0.01 . . . . . . 105 GLN N . 15884 1 329 . 1 1 49 49 HIS H H 1 7.87 0.01 . . . . . . 106 HIS H . 15884 1 330 . 1 1 49 49 HIS HA H 1 5.26 0.01 . . . . . . 106 HIS HA . 15884 1 331 . 1 1 49 49 HIS HB2 H 1 3.58 0.01 . . . . . . 106 HIS HB2 . 15884 1 332 . 1 1 49 49 HIS HB3 H 1 3.02 0.01 . . . . . . 106 HIS HB3 . 15884 1 333 . 1 1 49 49 HIS C C 13 174.49 0.01 . . . . . . 106 HIS C . 15884 1 334 . 1 1 49 49 HIS CA C 13 54.85 0.01 . . . . . . 106 HIS CA . 15884 1 335 . 1 1 49 49 HIS CB C 13 31.52 0.01 . . . . . . 106 HIS CB . 15884 1 336 . 1 1 49 49 HIS N N 15 111.93 0.01 . . . . . . 106 HIS N . 15884 1 337 . 1 1 50 50 GLY H H 1 8.11 0.01 . . . . . . 107 GLY H . 15884 1 338 . 1 1 50 50 GLY HA2 H 1 4.07 0.01 . . . . . . 107 GLY HA2 . 15884 1 339 . 1 1 50 50 GLY C C 13 173.13 0.01 . . . . . . 107 GLY C . 15884 1 340 . 1 1 50 50 GLY CA C 13 47.28 0.01 . . . . . . 107 GLY CA . 15884 1 341 . 1 1 50 50 GLY N N 15 110.67 0.01 . . . . . . 107 GLY N . 15884 1 342 . 1 1 51 51 LEU H H 1 6.58 0.01 . . . . . . 108 LEU H . 15884 1 343 . 1 1 51 51 LEU HA H 1 4.56 0.01 . . . . . . 108 LEU HA . 15884 1 344 . 1 1 51 51 LEU HB2 H 1 1.29 0.01 . . . . . . 108 LEU HB2 . 15884 1 345 . 1 1 51 51 LEU C C 13 174.63 0.01 . . . . . . 108 LEU C . 15884 1 346 . 1 1 51 51 LEU CA C 13 54.40 0.01 . . . . . . 108 LEU CA . 15884 1 347 . 1 1 51 51 LEU CB C 13 44.67 0.01 . . . . . . 108 LEU CB . 15884 1 348 . 1 1 51 51 LEU N N 15 120.71 0.01 . . . . . . 108 LEU N . 15884 1 349 . 1 1 52 52 LYS H H 1 8.64 0.01 . . . . . . 109 LYS H . 15884 1 350 . 1 1 52 52 LYS HA H 1 4.33 0.01 . . . . . . 109 LYS HA . 15884 1 351 . 1 1 52 52 LYS HB2 H 1 1.82 0.01 . . . . . . 109 LYS HB2 . 15884 1 352 . 1 1 52 52 LYS HB3 H 1 1.64 0.01 . . . . . . 109 LYS HB3 . 15884 1 353 . 1 1 52 52 LYS C C 13 174.25 0.01 . . . . . . 109 LYS C . 15884 1 354 . 1 1 52 52 LYS CA C 13 56.16 0.01 . . . . . . 109 LYS CA . 15884 1 355 . 1 1 52 52 LYS CB C 13 33.42 0.01 . . . . . . 109 LYS CB . 15884 1 356 . 1 1 52 52 LYS N N 15 126.58 0.01 . . . . . . 109 LYS N . 15884 1 357 . 1 1 53 53 LEU H H 1 8.68 0.01 . . . . . . 110 LEU H . 15884 1 358 . 1 1 53 53 LEU HA H 1 4.56 0.01 . . . . . . 110 LEU HA . 15884 1 359 . 1 1 53 53 LEU HB2 H 1 1.50 0.01 . . . . . . 110 LEU HB2 . 15884 1 360 . 1 1 53 53 LEU HB3 H 1 1.22 0.01 . . . . . . 110 LEU HB3 . 15884 1 361 . 1 1 53 53 LEU C C 13 175.16 0.01 . . . . . . 110 LEU C . 15884 1 362 . 1 1 53 53 LEU CA C 13 53.30 0.01 . . . . . . 110 LEU CA . 15884 1 363 . 1 1 53 53 LEU CB C 13 45.96 0.01 . . . . . . 110 LEU CB . 15884 1 364 . 1 1 53 53 LEU N N 15 128.86 0.01 . . . . . . 110 LEU N . 15884 1 365 . 1 1 54 54 ASP H H 1 8.19 0.01 . . . . . . 111 ASP H . 15884 1 366 . 1 1 54 54 ASP HA H 1 4.45 0.01 . . . . . . 111 ASP HA . 15884 1 367 . 1 1 54 54 ASP HB2 H 1 2.69 0.01 . . . . . . 111 ASP HB2 . 15884 1 368 . 1 1 54 54 ASP C C 13 177.61 0.01 . . . . . . 111 ASP C . 15884 1 369 . 1 1 54 54 ASP CA C 13 54.79 0.01 . . . . . . 111 ASP CA . 15884 1 370 . 1 1 54 54 ASP CB C 13 42.40 0.01 . . . . . . 111 ASP CB . 15884 1 371 . 1 1 54 54 ASP N N 15 124.64 0.01 . . . . . . 111 ASP N . 15884 1 372 . 1 1 55 55 LYS H H 1 8.79 0.01 . . . . . . 112 LYS H . 15884 1 373 . 1 1 55 55 LYS C C 13 177.62 0.01 . . . . . . 112 LYS C . 15884 1 374 . 1 1 55 55 LYS CA C 13 59.44 0.01 . . . . . . 112 LYS CA . 15884 1 375 . 1 1 55 55 LYS CB C 13 31.63 0.01 . . . . . . 112 LYS CB . 15884 1 376 . 1 1 55 55 LYS N N 15 127.44 0.01 . . . . . . 112 LYS N . 15884 1 377 . 1 1 56 56 ARG H H 1 8.67 0.01 . . . . . . 113 ARG H . 15884 1 378 . 1 1 56 56 ARG HA H 1 4.17 0.01 . . . . . . 113 ARG HA . 15884 1 379 . 1 1 56 56 ARG HB2 H 1 1.88 0.01 . . . . . . 113 ARG HB2 . 15884 1 380 . 1 1 56 56 ARG C C 13 177.87 0.01 . . . . . . 113 ARG C . 15884 1 381 . 1 1 56 56 ARG CA C 13 57.79 0.01 . . . . . . 113 ARG CA . 15884 1 382 . 1 1 56 56 ARG CB C 13 30.07 0.01 . . . . . . 113 ARG CB . 15884 1 383 . 1 1 56 56 ARG N N 15 120.41 0.01 . . . . . . 113 ARG N . 15884 1 384 . 1 1 57 57 LYS H H 1 8.05 0.01 . . . . . . 114 LYS H . 15884 1 385 . 1 1 57 57 LYS HA H 1 4.17 0.01 . . . . . . 114 LYS HA . 15884 1 386 . 1 1 57 57 LYS HB2 H 1 2.10 0.01 . . . . . . 114 LYS HB2 . 15884 1 387 . 1 1 57 57 LYS HB3 H 1 1.74 0.01 . . . . . . 114 LYS HB3 . 15884 1 388 . 1 1 57 57 LYS C C 13 175.57 0.01 . . . . . . 114 LYS C . 15884 1 389 . 1 1 57 57 LYS CA C 13 57.79 0.01 . . . . . . 114 LYS CA . 15884 1 390 . 1 1 57 57 LYS CB C 13 33.12 0.01 . . . . . . 114 LYS CB . 15884 1 391 . 1 1 57 57 LYS N N 15 117.30 0.01 . . . . . . 114 LYS N . 15884 1 392 . 1 1 58 58 ILE H H 1 7.43 0.01 . . . . . . 115 ILE H . 15884 1 393 . 1 1 58 58 ILE HA H 1 3.99 0.01 . . . . . . 115 ILE HA . 15884 1 394 . 1 1 58 58 ILE HB H 1 2.19 0.01 . . . . . . 115 ILE HB . 15884 1 395 . 1 1 58 58 ILE C C 13 175.18 0.01 . . . . . . 115 ILE C . 15884 1 396 . 1 1 58 58 ILE CA C 13 62.36 0.01 . . . . . . 115 ILE CA . 15884 1 397 . 1 1 58 58 ILE CB C 13 37.66 0.01 . . . . . . 115 ILE CB . 15884 1 398 . 1 1 58 58 ILE N N 15 120.03 0.01 . . . . . . 115 ILE N . 15884 1 399 . 1 1 59 59 GLU H H 1 8.63 0.01 . . . . . . 116 GLU H . 15884 1 400 . 1 1 59 59 GLU C C 13 175.29 0.01 . . . . . . 116 GLU C . 15884 1 401 . 1 1 59 59 GLU CA C 13 54.95 0.01 . . . . . . 116 GLU CA . 15884 1 402 . 1 1 59 59 GLU CB C 13 28.08 0.01 . . . . . . 116 GLU CB . 15884 1 403 . 1 1 59 59 GLU N N 15 130.48 0.01 . . . . . . 116 GLU N . 15884 1 404 . 1 1 60 60 LEU H H 1 7.78 0.01 . . . . . . 117 LEU H . 15884 1 405 . 1 1 60 60 LEU HA H 1 4.46 0.01 . . . . . . 117 LEU HA . 15884 1 406 . 1 1 60 60 LEU HB2 H 1 1.82 0.01 . . . . . . 117 LEU HB2 . 15884 1 407 . 1 1 60 60 LEU HB3 H 1 1.26 0.01 . . . . . . 117 LEU HB3 . 15884 1 408 . 1 1 60 60 LEU C C 13 177.07 0.01 . . . . . . 117 LEU C . 15884 1 409 . 1 1 60 60 LEU CA C 13 54.73 0.01 . . . . . . 117 LEU CA . 15884 1 410 . 1 1 60 60 LEU CB C 13 43.30 0.01 . . . . . . 117 LEU CB . 15884 1 411 . 1 1 60 60 LEU N N 15 123.93 0.01 . . . . . . 117 LEU N . 15884 1 412 . 1 1 61 61 ALA H H 1 8.84 0.01 . . . . . . 118 ALA H . 15884 1 413 . 1 1 61 61 ALA HA H 1 4.16 0.01 . . . . . . 118 ALA HA . 15884 1 414 . 1 1 61 61 ALA HB1 H 1 1.46 0.01 . . . . . . 118 ALA HB . 15884 1 415 . 1 1 61 61 ALA HB2 H 1 1.46 0.01 . . . . . . 118 ALA HB . 15884 1 416 . 1 1 61 61 ALA HB3 H 1 1.46 0.01 . . . . . . 118 ALA HB . 15884 1 417 . 1 1 61 61 ALA C C 13 177.60 0.01 . . . . . . 118 ALA C . 15884 1 418 . 1 1 61 61 ALA CA C 13 54.73 0.01 . . . . . . 118 ALA CA . 15884 1 419 . 1 1 61 61 ALA CB C 13 18.94 0.01 . . . . . . 118 ALA CB . 15884 1 420 . 1 1 61 61 ALA N N 15 130.16 0.01 . . . . . . 118 ALA N . 15884 1 421 . 1 1 62 62 ASP H H 1 7.77 0.01 . . . . . . 119 ASP H . 15884 1 422 . 1 1 62 62 ASP C C 13 173.94 0.01 . . . . . . 119 ASP C . 15884 1 423 . 1 1 62 62 ASP CA C 13 52.72 0.01 . . . . . . 119 ASP CA . 15884 1 424 . 1 1 62 62 ASP CB C 13 41.51 0.01 . . . . . . 119 ASP CB . 15884 1 425 . 1 1 62 62 ASP N N 15 114.69 0.01 . . . . . . 119 ASP N . 15884 1 426 . 1 1 63 63 ALA HA H 1 4.28 0.01 . . . . . . 120 ALA HA . 15884 1 427 . 1 1 63 63 ALA HB1 H 1 1.32 0.01 . . . . . . 120 ALA HB . 15884 1 428 . 1 1 63 63 ALA HB2 H 1 1.32 0.01 . . . . . . 120 ALA HB . 15884 1 429 . 1 1 63 63 ALA HB3 H 1 1.32 0.01 . . . . . . 120 ALA HB . 15884 1 430 . 1 1 63 63 ALA C C 13 177.14 0.01 . . . . . . 120 ALA C . 15884 1 431 . 1 1 63 63 ALA CA C 13 52.96 0.01 . . . . . . 120 ALA CA . 15884 1 432 . 1 1 63 63 ALA CB C 13 19.71 0.01 . . . . . . 120 ALA CB . 15884 1 433 . 1 1 63 63 ALA N N 15 124.27 0.01 . . . . . . 120 ALA N . 15884 1 434 . 1 1 64 64 ILE H H 1 8.54 0.01 . . . . . . 121 ILE H . 15884 1 435 . 1 1 64 64 ILE HA H 1 4.00 0.01 . . . . . . 121 ILE HA . 15884 1 436 . 1 1 64 64 ILE HB H 1 1.78 0.01 . . . . . . 121 ILE HB . 15884 1 437 . 1 1 64 64 ILE C C 13 176.93 0.01 . . . . . . 121 ILE C . 15884 1 438 . 1 1 64 64 ILE CA C 13 63.21 0.01 . . . . . . 121 ILE CA . 15884 1 439 . 1 1 64 64 ILE CB C 13 39.29 0.01 . . . . . . 121 ILE CB . 15884 1 440 . 1 1 64 64 ILE N N 15 122.47 0.01 . . . . . . 121 ILE N . 15884 1 441 . 1 1 65 65 ARG H H 1 8.79 0.01 . . . . . . 122 ARG H . 15884 1 442 . 1 1 65 65 ARG HA H 1 4.63 0.01 . . . . . . 122 ARG HA . 15884 1 443 . 1 1 65 65 ARG HB2 H 1 2.22 0.01 . . . . . . 122 ARG HB2 . 15884 1 444 . 1 1 65 65 ARG HB3 H 1 1.57 0.01 . . . . . . 122 ARG HB3 . 15884 1 445 . 1 1 65 65 ARG C C 13 175.02 0.01 . . . . . . 122 ARG C . 15884 1 446 . 1 1 65 65 ARG CA C 13 56.16 0.01 . . . . . . 122 ARG CA . 15884 1 447 . 1 1 65 65 ARG CB C 13 32.30 0.01 . . . . . . 122 ARG CB . 15884 1 448 . 1 1 65 65 ARG N N 15 125.58 0.01 . . . . . . 122 ARG N . 15884 1 449 . 1 1 66 66 ALA H H 1 7.47 0.01 . . . . . . 123 ALA H . 15884 1 450 . 1 1 66 66 ALA HA H 1 5.09 0.01 . . . . . . 123 ALA HA . 15884 1 451 . 1 1 66 66 ALA HB1 H 1 1.36 0.01 . . . . . . 123 ALA HB . 15884 1 452 . 1 1 66 66 ALA HB2 H 1 1.36 0.01 . . . . . . 123 ALA HB . 15884 1 453 . 1 1 66 66 ALA HB3 H 1 1.36 0.01 . . . . . . 123 ALA HB . 15884 1 454 . 1 1 66 66 ALA C C 13 175.91 0.01 . . . . . . 123 ALA C . 15884 1 455 . 1 1 66 66 ALA CA C 13 51.71 0.01 . . . . . . 123 ALA CA . 15884 1 456 . 1 1 66 66 ALA CB C 13 22.99 0.01 . . . . . . 123 ALA CB . 15884 1 457 . 1 1 66 66 ALA N N 15 124.24 0.01 . . . . . . 123 ALA N . 15884 1 458 . 1 1 67 67 LEU H H 1 8.10 0.01 . . . . . . 124 LEU H . 15884 1 459 . 1 1 67 67 LEU HA H 1 3.89 0.01 . . . . . . 124 LEU HA . 15884 1 460 . 1 1 67 67 LEU HB2 H 1 1.75 0.01 . . . . . . 124 LEU HB2 . 15884 1 461 . 1 1 67 67 LEU HB3 H 1 1.47 0.01 . . . . . . 124 LEU HB3 . 15884 1 462 . 1 1 67 67 LEU C C 13 177.13 0.01 . . . . . . 124 LEU C . 15884 1 463 . 1 1 67 67 LEU CA C 13 55.58 0.01 . . . . . . 124 LEU CA . 15884 1 464 . 1 1 67 67 LEU CB C 13 43.50 0.01 . . . . . . 124 LEU CB . 15884 1 465 . 1 1 67 67 LEU N N 15 118.42 0.01 . . . . . . 124 LEU N . 15884 1 466 . 1 1 68 68 GLY H H 1 8.58 0.01 . . . . . . 125 GLY H . 15884 1 467 . 1 1 68 68 GLY C C 13 174.50 0.01 . . . . . . 125 GLY C . 15884 1 468 . 1 1 68 68 GLY CA C 13 44.75 0.01 . . . . . . 125 GLY CA . 15884 1 469 . 1 1 68 68 GLY N N 15 108.06 0.01 . . . . . . 125 GLY N . 15884 1 470 . 1 1 69 69 TYR H H 1 9.14 0.01 . . . . . . 126 TYR H . 15884 1 471 . 1 1 69 69 TYR HA H 1 5.53 0.01 . . . . . . 126 TYR HA . 15884 1 472 . 1 1 69 69 TYR HB2 H 1 2.87 0.01 . . . . . . 126 TYR HB2 . 15884 1 473 . 1 1 69 69 TYR C C 13 176.36 0.01 . . . . . . 126 TYR C . 15884 1 474 . 1 1 69 69 TYR CA C 13 58.93 0.01 . . . . . . 126 TYR CA . 15884 1 475 . 1 1 69 69 TYR CB C 13 40.79 0.01 . . . . . . 126 TYR CB . 15884 1 476 . 1 1 69 69 TYR N N 15 123.60 0.01 . . . . . . 126 TYR N . 15884 1 477 . 1 1 70 70 THR H H 1 9.33 0.01 . . . . . . 127 THR H . 15884 1 478 . 1 1 70 70 THR HA H 1 4.53 0.01 . . . . . . 127 THR HA . 15884 1 479 . 1 1 70 70 THR HB H 1 3.86 0.01 . . . . . . 127 THR HB . 15884 1 480 . 1 1 70 70 THR C C 13 172.02 0.01 . . . . . . 127 THR C . 15884 1 481 . 1 1 70 70 THR CA C 13 63.00 0.01 . . . . . . 127 THR CA . 15884 1 482 . 1 1 70 70 THR CB C 13 72.03 0.01 . . . . . . 127 THR CB . 15884 1 483 . 1 1 70 70 THR N N 15 119.88 0.01 . . . . . . 127 THR N . 15884 1 484 . 1 1 71 71 ASN H H 1 8.77 0.01 . . . . . . 128 ASN H . 15884 1 485 . 1 1 71 71 ASN HA H 1 5.39 0.01 . . . . . . 128 ASN HA . 15884 1 486 . 1 1 71 71 ASN HB2 H 1 2.79 0.01 . . . . . . 128 ASN HB2 . 15884 1 487 . 1 1 71 71 ASN HB3 H 1 2.38 0.01 . . . . . . 128 ASN HB3 . 15884 1 488 . 1 1 71 71 ASN C C 13 174.65 0.01 . . . . . . 128 ASN C . 15884 1 489 . 1 1 71 71 ASN CA C 13 52.20 0.01 . . . . . . 128 ASN CA . 15884 1 490 . 1 1 71 71 ASN CB C 13 39.61 0.01 . . . . . . 128 ASN CB . 15884 1 491 . 1 1 71 71 ASN N N 15 126.18 0.01 . . . . . . 128 ASN N . 15884 1 492 . 1 1 72 72 VAL H H 1 9.40 0.01 . . . . . . 129 VAL H . 15884 1 493 . 1 1 72 72 VAL C C 13 172.73 0.01 . . . . . . 129 VAL C . 15884 1 494 . 1 1 72 72 VAL CA C 13 59.57 0.01 . . . . . . 129 VAL CA . 15884 1 495 . 1 1 72 72 VAL CB C 13 34.70 0.01 . . . . . . 129 VAL CB . 15884 1 496 . 1 1 72 72 VAL N N 15 126.58 0.01 . . . . . . 129 VAL N . 15884 1 497 . 1 1 73 73 PRO HA H 1 5.02 0.01 . . . . . . 130 PRO HA . 15884 1 498 . 1 1 73 73 PRO HB2 H 1 2.27 0.01 . . . . . . 130 PRO HB2 . 15884 1 499 . 1 1 73 73 PRO HB3 H 1 1.92 0.01 . . . . . . 130 PRO HB3 . 15884 1 500 . 1 1 73 73 PRO C C 13 176.26 0.01 . . . . . . 130 PRO C . 15884 1 501 . 1 1 73 73 PRO CA C 13 62.78 0.01 . . . . . . 130 PRO CA . 15884 1 502 . 1 1 73 73 PRO CB C 13 32.38 0.01 . . . . . . 130 PRO CB . 15884 1 503 . 1 1 74 74 VAL H H 1 9.03 0.01 . . . . . . 131 VAL H . 15884 1 504 . 1 1 74 74 VAL HA H 1 4.82 0.01 . . . . . . 131 VAL HA . 15884 1 505 . 1 1 74 74 VAL HB H 1 1.82 0.01 . . . . . . 131 VAL HB . 15884 1 506 . 1 1 74 74 VAL C C 13 175.49 0.01 . . . . . . 131 VAL C . 15884 1 507 . 1 1 74 74 VAL CA C 13 60.42 0.01 . . . . . . 131 VAL CA . 15884 1 508 . 1 1 74 74 VAL CB C 13 35.06 0.01 . . . . . . 131 VAL CB . 15884 1 509 . 1 1 74 74 VAL N N 15 121.55 0.01 . . . . . . 131 VAL N . 15884 1 510 . 1 1 75 75 LYS H H 1 9.11 0.01 . . . . . . 132 LYS H . 15884 1 511 . 1 1 75 75 LYS HA H 1 4.62 0.01 . . . . . . 132 LYS HA . 15884 1 512 . 1 1 75 75 LYS HB2 H 1 1.92 0.01 . . . . . . 132 LYS HB2 . 15884 1 513 . 1 1 75 75 LYS HB3 H 1 1.64 0.01 . . . . . . 132 LYS HB3 . 15884 1 514 . 1 1 75 75 LYS C C 13 175.49 0.01 . . . . . . 132 LYS C . 15884 1 515 . 1 1 75 75 LYS CA C 13 56.02 0.01 . . . . . . 132 LYS CA . 15884 1 516 . 1 1 75 75 LYS CB C 13 32.06 0.01 . . . . . . 132 LYS CB . 15884 1 517 . 1 1 75 75 LYS N N 15 130.37 0.01 . . . . . . 132 LYS N . 15884 1 518 . 1 1 76 76 LEU H H 1 8.06 0.01 . . . . . . 133 LEU H . 15884 1 519 . 1 1 76 76 LEU C C 13 176.41 0.01 . . . . . . 133 LEU C . 15884 1 520 . 1 1 76 76 LEU CA C 13 56.35 0.01 . . . . . . 133 LEU CA . 15884 1 521 . 1 1 76 76 LEU CB C 13 43.85 0.01 . . . . . . 133 LEU CB . 15884 1 522 . 1 1 76 76 LEU N N 15 126.72 0.01 . . . . . . 133 LEU N . 15884 1 523 . 1 1 80 80 VAL H H 1 8.18 0.01 . . . . . . 137 VAL H . 15884 1 524 . 1 1 80 80 VAL HA H 1 4.49 0.01 . . . . . . 137 VAL HA . 15884 1 525 . 1 1 80 80 VAL HB H 1 1.96 0.01 . . . . . . 137 VAL HB . 15884 1 526 . 1 1 80 80 VAL C C 13 173.49 0.01 . . . . . . 137 VAL C . 15884 1 527 . 1 1 80 80 VAL CA C 13 63.07 0.01 . . . . . . 137 VAL CA . 15884 1 528 . 1 1 80 80 VAL CB C 13 35.14 0.01 . . . . . . 137 VAL CB . 15884 1 529 . 1 1 80 80 VAL N N 15 120.56 0.01 . . . . . . 137 VAL N . 15884 1 530 . 1 1 81 81 THR H H 1 8.79 0.01 . . . . . . 138 THR H . 15884 1 531 . 1 1 81 81 THR HA H 1 5.16 0.01 . . . . . . 138 THR HA . 15884 1 532 . 1 1 81 81 THR HB H 1 4.00 0.01 . . . . . . 138 THR HB . 15884 1 533 . 1 1 81 81 THR C C 13 173.49 0.01 . . . . . . 138 THR C . 15884 1 534 . 1 1 81 81 THR CA C 13 61.65 0.01 . . . . . . 138 THR CA . 15884 1 535 . 1 1 81 81 THR CB C 13 70.99 0.01 . . . . . . 138 THR CB . 15884 1 536 . 1 1 81 81 THR N N 15 125.77 0.01 . . . . . . 138 THR N . 15884 1 537 . 1 1 82 82 ALA H H 1 9.39 0.01 . . . . . . 139 ALA H . 15884 1 538 . 1 1 82 82 ALA HA H 1 4.95 0.01 . . . . . . 139 ALA HA . 15884 1 539 . 1 1 82 82 ALA HB1 H 1 1.35 0.01 . . . . . . 139 ALA HB . 15884 1 540 . 1 1 82 82 ALA HB2 H 1 1.35 0.01 . . . . . . 139 ALA HB . 15884 1 541 . 1 1 82 82 ALA HB3 H 1 1.35 0.01 . . . . . . 139 ALA HB . 15884 1 542 . 1 1 82 82 ALA C C 13 173.41 0.01 . . . . . . 139 ALA C . 15884 1 543 . 1 1 82 82 ALA CA C 13 49.65 0.01 . . . . . . 139 ALA CA . 15884 1 544 . 1 1 82 82 ALA CB C 13 24.13 0.01 . . . . . . 139 ALA CB . 15884 1 545 . 1 1 82 82 ALA N N 15 129.17 0.01 . . . . . . 139 ALA N . 15884 1 546 . 1 1 83 83 THR H H 1 8.83 0.01 . . . . . . 140 THR H . 15884 1 547 . 1 1 83 83 THR HA H 1 4.59 0.01 . . . . . . 140 THR HA . 15884 1 548 . 1 1 83 83 THR HB H 1 3.89 0.01 . . . . . . 140 THR HB . 15884 1 549 . 1 1 83 83 THR C C 13 172.40 0.01 . . . . . . 140 THR C . 15884 1 550 . 1 1 83 83 THR CA C 13 62.95 0.01 . . . . . . 140 THR CA . 15884 1 551 . 1 1 83 83 THR CB C 13 69.98 0.01 . . . . . . 140 THR CB . 15884 1 552 . 1 1 83 83 THR N N 15 117.46 0.01 . . . . . . 140 THR N . 15884 1 553 . 1 1 84 84 LEU H H 1 9.12 0.01 . . . . . . 141 LEU H . 15884 1 554 . 1 1 84 84 LEU HA H 1 4.69 0.01 . . . . . . 141 LEU HA . 15884 1 555 . 1 1 84 84 LEU HB2 H 1 1.92 0.01 . . . . . . 141 LEU HB2 . 15884 1 556 . 1 1 84 84 LEU C C 13 175.29 0.01 . . . . . . 141 LEU C . 15884 1 557 . 1 1 84 84 LEU CA C 13 53.22 0.01 . . . . . . 141 LEU CA . 15884 1 558 . 1 1 84 84 LEU CB C 13 45.84 0.01 . . . . . . 141 LEU CB . 15884 1 559 . 1 1 84 84 LEU N N 15 128.85 0.01 . . . . . . 141 LEU N . 15884 1 560 . 1 1 85 85 LYS H H 1 9.00 0.01 . . . . . . 142 LYS H . 15884 1 561 . 1 1 85 85 LYS HA H 1 4.67 0.01 . . . . . . 142 LYS HA . 15884 1 562 . 1 1 85 85 LYS HB2 H 1 1.99 0.01 . . . . . . 142 LYS HB2 . 15884 1 563 . 1 1 85 85 LYS C C 13 174.82 0.01 . . . . . . 142 LYS C . 15884 1 564 . 1 1 85 85 LYS CA C 13 57.59 0.01 . . . . . . 142 LYS CA . 15884 1 565 . 1 1 85 85 LYS CB C 13 32.84 0.01 . . . . . . 142 LYS CB . 15884 1 566 . 1 1 85 85 LYS N N 15 130.37 0.01 . . . . . . 142 LYS N . 15884 1 567 . 1 1 86 86 VAL H H 1 8.97 0.01 . . . . . . 143 VAL H . 15884 1 568 . 1 1 86 86 VAL HA H 1 4.84 0.01 . . . . . . 143 VAL HA . 15884 1 569 . 1 1 86 86 VAL HB H 1 2.13 0.01 . . . . . . 143 VAL HB . 15884 1 570 . 1 1 86 86 VAL C C 13 174.54 0.01 . . . . . . 143 VAL C . 15884 1 571 . 1 1 86 86 VAL CA C 13 61.47 0.01 . . . . . . 143 VAL CA . 15884 1 572 . 1 1 86 86 VAL CB C 13 34.13 0.01 . . . . . . 143 VAL CB . 15884 1 573 . 1 1 86 86 VAL N N 15 127.20 0.01 . . . . . . 143 VAL N . 15884 1 574 . 1 1 87 87 HIS H H 1 9.62 0.01 . . . . . . 144 HIS H . 15884 1 575 . 1 1 87 87 HIS HA H 1 4.99 0.01 . . . . . . 144 HIS HA . 15884 1 576 . 1 1 87 87 HIS HB2 H 1 3.28 0.01 . . . . . . 144 HIS HB2 . 15884 1 577 . 1 1 87 87 HIS HB3 H 1 2.38 0.01 . . . . . . 144 HIS HB3 . 15884 1 578 . 1 1 87 87 HIS C C 13 172.53 0.01 . . . . . . 144 HIS C . 15884 1 579 . 1 1 87 87 HIS CA C 13 51.20 0.01 . . . . . . 144 HIS CA . 15884 1 580 . 1 1 87 87 HIS CB C 13 31.22 0.01 . . . . . . 144 HIS CB . 15884 1 581 . 1 1 87 87 HIS N N 15 127.43 0.01 . . . . . . 144 HIS N . 15884 1 582 . 1 1 88 88 VAL H H 1 9.05 0.01 . . . . . . 145 VAL H . 15884 1 583 . 1 1 88 88 VAL CA C 13 62.13 0.01 . . . . . . 145 VAL CA . 15884 1 584 . 1 1 88 88 VAL CB C 13 32.06 0.01 . . . . . . 145 VAL CB . 15884 1 585 . 1 1 88 88 VAL N N 15 130.49 0.01 . . . . . . 145 VAL N . 15884 1 586 . 1 1 89 89 THR HA H 1 4.38 0.01 . . . . . . 146 THR HA . 15884 1 587 . 1 1 89 89 THR HB H 1 3.79 0.01 . . . . . . 146 THR HB . 15884 1 588 . 1 1 89 89 THR C C 13 172.25 0.01 . . . . . . 146 THR C . 15884 1 589 . 1 1 89 89 THR CA C 13 59.32 0.01 . . . . . . 146 THR CA . 15884 1 590 . 1 1 89 89 THR CB C 13 70.83 0.01 . . . . . . 146 THR CB . 15884 1 591 . 1 1 90 90 GLU H H 1 8.39 0.01 . . . . . . 147 GLU H . 15884 1 592 . 1 1 90 90 GLU HA H 1 4.60 0.01 . . . . . . 147 GLU HA . 15884 1 593 . 1 1 90 90 GLU HB2 H 1 1.99 0.01 . . . . . . 147 GLU HB2 . 15884 1 594 . 1 1 90 90 GLU C C 13 176.43 0.01 . . . . . . 147 GLU C . 15884 1 595 . 1 1 90 90 GLU CA C 13 56.26 0.01 . . . . . . 147 GLU CA . 15884 1 596 . 1 1 90 90 GLU CB C 13 29.71 0.01 . . . . . . 147 GLU CB . 15884 1 597 . 1 1 90 90 GLU N N 15 120.90 0.01 . . . . . . 147 GLU N . 15884 1 598 . 1 1 91 91 GLN H H 1 8.29 0.01 . . . . . . 148 GLN H . 15884 1 599 . 1 1 91 91 GLN HA H 1 4.28 0.01 . . . . . . 148 GLN HA . 15884 1 600 . 1 1 91 91 GLN HB2 H 1 1.74 0.01 . . . . . . 148 GLN HB2 . 15884 1 601 . 1 1 91 91 GLN C C 13 174.50 0.01 . . . . . . 148 GLN C . 15884 1 602 . 1 1 91 91 GLN CA C 13 56.15 0.01 . . . . . . 148 GLN CA . 15884 1 603 . 1 1 91 91 GLN CB C 13 29.88 0.01 . . . . . . 148 GLN CB . 15884 1 604 . 1 1 91 91 GLN N N 15 129.06 0.01 . . . . . . 148 GLN N . 15884 1 605 . 1 1 92 92 LYS H H 1 8.36 0.01 . . . . . . 149 LYS H . 15884 1 606 . 1 1 92 92 LYS C C 13 175.18 0.01 . . . . . . 149 LYS C . 15884 1 607 . 1 1 92 92 LYS CA C 13 57.75 0.01 . . . . . . 149 LYS CA . 15884 1 608 . 1 1 92 92 LYS CB C 13 33.65 0.01 . . . . . . 149 LYS CB . 15884 1 609 . 1 1 92 92 LYS N N 15 132.13 0.01 . . . . . . 149 LYS N . 15884 1 stop_ save_