data_17000 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17000 _Entry.Title ; Structure of E1-69 of Yeast V-ATPase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-14 _Entry.Accession_date 2010-06-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _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 Rishikesan Sankaranarayanan N. . . 17000 2 Gerhard Gruber . . . 17000 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17000 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 202 17000 '15N chemical shifts' 68 17000 '1H chemical shifts' 427 17000 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 . . 2011-05-27 2010-06-14 update BMRB 'update entry citation' 17000 1 . . 2011-03-24 2010-06-14 original author 'original release' 17000 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KZ9 'BMRB Entry Tracking System' 17000 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17000 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21399923 _Citation.Full_citation . _Citation.Title 'NMR solution structure of subunit E (fragment E(1-69)) of the Saccharomyces cerevisiae V (1)V (O) ATPase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bioenerg. Biomembr.' _Citation.Journal_name_full 'Journal of bioenergetics and biomembranes' _Citation.Journal_volume 43 _Citation.Journal_issue 2 _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 187 _Citation.Page_last 193 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sankaranarayanan Rishikesan . . . 17000 1 2 Youg Thaker . R. . 17000 1 3 Gerhard Gruber . . . 17000 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17000 _Assembly.ID 1 _Assembly.Name 'E1-69 of Yeast V-ATPase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 E1-69 1 $E1-69 A . yes native no no . . . 17000 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E1-69 _Entity.Sf_category entity _Entity.Sf_framecode E1-69 _Entity.Entry_ID 17000 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASAITALTPNQVNDELNKM QAFIRKEAEEKAKEIQLKAD QEYEIEKTNIVRNETNNIDG NFKSKLKKA ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7908.008 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KZ9 . "Structure Of E1-69 Of Yeast V-Atpase" . . . . . 100.00 69 100.00 100.00 3.06e-39 . . . . 17000 1 2 no PDB 3J9T . "Yeast V-atpase State 1" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 3 no PDB 3J9U . "Yeast V-atpase State 2" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 4 no PDB 3J9V . "Yeast V-atpase State 3" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 5 no PDB 4DL0 . "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 6 no PDB 4EFA . "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase - Second Conformation" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 7 no DBJ GAA26638 . "K7_Vma4p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 8 no EMBL CAA89978 . "VMA4 [Saccharomyces cerevisiae]" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 9 no EMBL CAA99654 . "VMA4 [Saccharomyces cerevisiae]" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 10 no EMBL CAY86613 . "Vma4p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 11 no GB AAA35209 . "vacuolar membrane ATPase [Saccharomyces cerevisiae]" . . . . . 100.00 233 98.55 100.00 2.09e-37 . . . . 17000 1 12 no GB AHY77605 . "Vma4p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 13 no GB AJP41835 . "Vma4p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 14 no GB AJT71258 . "Vma4p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 15 no GB AJT71746 . "Vma4p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 16 no REF NP_014977 . "H(+)-transporting V1 sector ATPase subunit E [Saccharomyces cerevisiae S288c]" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 17 no SP P22203 . "RecName: Full=V-type proton ATPase subunit E; Short=V-ATPase subunit E; AltName: Full=V-ATPase 27 kDa subunit; AltName: Full=Va" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 18 no TPG DAA11094 . "TPA: H(+)-transporting V1 sector ATPase subunit E [Saccharomyces cerevisiae S288c]" . . . . . 100.00 233 98.55 100.00 1.84e-37 . . . . 17000 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17000 1 2 . ALA . 17000 1 3 . SER . 17000 1 4 . ALA . 17000 1 5 . ILE . 17000 1 6 . THR . 17000 1 7 . ALA . 17000 1 8 . LEU . 17000 1 9 . THR . 17000 1 10 . PRO . 17000 1 11 . ASN . 17000 1 12 . GLN . 17000 1 13 . VAL . 17000 1 14 . ASN . 17000 1 15 . ASP . 17000 1 16 . GLU . 17000 1 17 . LEU . 17000 1 18 . ASN . 17000 1 19 . LYS . 17000 1 20 . MET . 17000 1 21 . GLN . 17000 1 22 . ALA . 17000 1 23 . PHE . 17000 1 24 . ILE . 17000 1 25 . ARG . 17000 1 26 . LYS . 17000 1 27 . GLU . 17000 1 28 . ALA . 17000 1 29 . GLU . 17000 1 30 . GLU . 17000 1 31 . LYS . 17000 1 32 . ALA . 17000 1 33 . LYS . 17000 1 34 . GLU . 17000 1 35 . ILE . 17000 1 36 . GLN . 17000 1 37 . LEU . 17000 1 38 . LYS . 17000 1 39 . ALA . 17000 1 40 . ASP . 17000 1 41 . GLN . 17000 1 42 . GLU . 17000 1 43 . TYR . 17000 1 44 . GLU . 17000 1 45 . ILE . 17000 1 46 . GLU . 17000 1 47 . LYS . 17000 1 48 . THR . 17000 1 49 . ASN . 17000 1 50 . ILE . 17000 1 51 . VAL . 17000 1 52 . ARG . 17000 1 53 . ASN . 17000 1 54 . GLU . 17000 1 55 . THR . 17000 1 56 . ASN . 17000 1 57 . ASN . 17000 1 58 . ILE . 17000 1 59 . ASP . 17000 1 60 . GLY . 17000 1 61 . ASN . 17000 1 62 . PHE . 17000 1 63 . LYS . 17000 1 64 . SER . 17000 1 65 . LYS . 17000 1 66 . LEU . 17000 1 67 . LYS . 17000 1 68 . LYS . 17000 1 69 . ALA . 17000 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17000 1 . ALA 2 2 17000 1 . SER 3 3 17000 1 . ALA 4 4 17000 1 . ILE 5 5 17000 1 . THR 6 6 17000 1 . ALA 7 7 17000 1 . LEU 8 8 17000 1 . THR 9 9 17000 1 . PRO 10 10 17000 1 . ASN 11 11 17000 1 . GLN 12 12 17000 1 . VAL 13 13 17000 1 . ASN 14 14 17000 1 . ASP 15 15 17000 1 . GLU 16 16 17000 1 . LEU 17 17 17000 1 . ASN 18 18 17000 1 . LYS 19 19 17000 1 . MET 20 20 17000 1 . GLN 21 21 17000 1 . ALA 22 22 17000 1 . PHE 23 23 17000 1 . ILE 24 24 17000 1 . ARG 25 25 17000 1 . LYS 26 26 17000 1 . GLU 27 27 17000 1 . ALA 28 28 17000 1 . GLU 29 29 17000 1 . GLU 30 30 17000 1 . LYS 31 31 17000 1 . ALA 32 32 17000 1 . LYS 33 33 17000 1 . GLU 34 34 17000 1 . ILE 35 35 17000 1 . GLN 36 36 17000 1 . LEU 37 37 17000 1 . LYS 38 38 17000 1 . ALA 39 39 17000 1 . ASP 40 40 17000 1 . GLN 41 41 17000 1 . GLU 42 42 17000 1 . TYR 43 43 17000 1 . GLU 44 44 17000 1 . ILE 45 45 17000 1 . GLU 46 46 17000 1 . LYS 47 47 17000 1 . THR 48 48 17000 1 . ASN 49 49 17000 1 . ILE 50 50 17000 1 . VAL 51 51 17000 1 . ARG 52 52 17000 1 . ASN 53 53 17000 1 . GLU 54 54 17000 1 . THR 55 55 17000 1 . ASN 56 56 17000 1 . ASN 57 57 17000 1 . ILE 58 58 17000 1 . ASP 59 59 17000 1 . GLY 60 60 17000 1 . ASN 61 61 17000 1 . PHE 62 62 17000 1 . LYS 63 63 17000 1 . SER 64 64 17000 1 . LYS 65 65 17000 1 . LEU 66 66 17000 1 . LYS 67 67 17000 1 . LYS 68 68 17000 1 . ALA 69 69 17000 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 17000 _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 $E1-69 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17000 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 17000 _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 $E1-69 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET9d . . . . . . 17000 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17000 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 protein '[U-100% 13C; U-100% 15N]' . . 1 $E1-69 . . 2 . . mM . . . . 17000 1 2 Na2PO4 'natural abundance' . . . . . . 25 . . mM . . . . 17000 1 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 17000 1 4 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 17000 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17000 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17000 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 17000 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25 mM Na2PO4, 200 mM NaCl, pH 7.0, 5 mM EDTA' 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' 200 . mM 17000 1 pH 7.0 . pH 17000 1 pressure 1 . atm 17000 1 temperature 293 . K 17000 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17000 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 17000 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17000 1 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17000 _Software.ID 2 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17000 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17000 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17000 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17000 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17000 3 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 17000 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17000 _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 . 600 . . . 17000 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 17000 _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 NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17000 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17000 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17000 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17000 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17000 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17000 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 17000 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17000 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17000 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17000 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 17000 _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 NOESY . . . 17000 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 17000 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.522 0.02 . 1 . . . . 1 MET H . 17000 1 2 . 1 1 1 1 MET HA H 1 4.145 0.40 . 1 . . . . 1 MET HA . 17000 1 3 . 1 1 1 1 MET HB2 H 1 1.737 0.02 . 1 . . . . 1 MET HB2 . 17000 1 4 . 1 1 1 1 MET HB3 H 1 1.737 0.02 . 1 . . . . 1 MET HB3 . 17000 1 5 . 1 1 1 1 MET HG2 H 1 2.369 0.02 . 1 . . . . 1 MET HG2 . 17000 1 6 . 1 1 1 1 MET HG3 H 1 2.369 0.02 . 1 . . . . 1 MET HG3 . 17000 1 7 . 1 1 1 1 MET C C 13 173.58 0.40 . 1 . . . . 1 MET C . 17000 1 8 . 1 1 1 1 MET CA C 13 55.27 0.40 . 1 . . . . 1 MET CA . 17000 1 9 . 1 1 1 1 MET CB C 13 32.63 0.40 . 1 . . . . 1 MET CB . 17000 1 10 . 1 1 1 1 MET N N 15 120.823 0.40 . 1 . . . . 1 MET N . 17000 1 11 . 1 1 2 2 ALA H H 1 8.249 0.02 . 1 . . . . 2 ALA H . 17000 1 12 . 1 1 2 2 ALA HA H 1 4.17 0.40 . 1 . . . . 2 ALA HA . 17000 1 13 . 1 1 2 2 ALA HB1 H 1 1.152 0.02 . 1 . . . . 2 ALA HB . 17000 1 14 . 1 1 2 2 ALA HB2 H 1 1.152 0.02 . 1 . . . . 2 ALA HB . 17000 1 15 . 1 1 2 2 ALA HB3 H 1 1.152 0.02 . 1 . . . . 2 ALA HB . 17000 1 16 . 1 1 2 2 ALA C C 13 175.18 0.40 . 1 . . . . 2 ALA C . 17000 1 17 . 1 1 2 2 ALA CA C 13 52.58 0.40 . 1 . . . . 2 ALA CA . 17000 1 18 . 1 1 2 2 ALA CB C 13 19.14 0.40 . 1 . . . . 2 ALA CB . 17000 1 19 . 1 1 2 2 ALA N N 15 125.543 0.40 . 1 . . . . 2 ALA N . 17000 1 20 . 1 1 3 3 SER H H 1 8.141 0.02 . 1 . . . . 3 SER H . 17000 1 21 . 1 1 3 3 SER HA H 1 4.06 0.40 . 1 . . . . 3 SER HA . 17000 1 22 . 1 1 3 3 SER HB2 H 1 3.633 0.02 . 1 . . . . 3 SER HB2 . 17000 1 23 . 1 1 3 3 SER HB3 H 1 3.633 0.02 . 1 . . . . 3 SER HB3 . 17000 1 24 . 1 1 3 3 SER C C 13 171.78 0.40 . 1 . . . . 3 SER C . 17000 1 25 . 1 1 3 3 SER CA C 13 58.12 0.40 . 1 . . . . 3 SER CA . 17000 1 26 . 1 1 3 3 SER CB C 13 63.58 0.40 . 1 . . . . 3 SER CB . 17000 1 27 . 1 1 3 3 SER N N 15 114.906 0.40 . 1 . . . . 3 SER N . 17000 1 28 . 1 1 4 4 ALA H H 1 8.174 0.02 . 1 . . . . 4 ALA H . 17000 1 29 . 1 1 4 4 ALA HA H 1 4.121 0.40 . 1 . . . . 4 ALA HA . 17000 1 30 . 1 1 4 4 ALA HB1 H 1 1.139 0.02 . 1 . . . . 4 ALA HB . 17000 1 31 . 1 1 4 4 ALA HB2 H 1 1.139 0.02 . 1 . . . . 4 ALA HB . 17000 1 32 . 1 1 4 4 ALA HB3 H 1 1.139 0.02 . 1 . . . . 4 ALA HB . 17000 1 33 . 1 1 4 4 ALA C C 13 175.18 0.02 . 1 . . . . 4 ALA C . 17000 1 34 . 1 1 4 4 ALA CA C 13 52.48 0.40 . 1 . . . . 4 ALA CA . 17000 1 35 . 1 1 4 4 ALA CB C 13 19.17 0.40 . 1 . . . . 4 ALA CB . 17000 1 36 . 1 1 4 4 ALA N N 15 125.78 0.40 . 1 . . . . 4 ALA N . 17000 1 37 . 1 1 5 5 ILE H H 1 7.98 0.02 . 1 . . . . 5 ILE H . 17000 1 38 . 1 1 5 5 ILE HA H 1 4.016 0.40 . 1 . . . . 5 ILE HA . 17000 1 39 . 1 1 5 5 ILE HB H 1 1.602 0.02 . 1 . . . . 5 ILE HB . 17000 1 40 . 1 1 5 5 ILE HG21 H 1 1.001 0.02 . 1 . . . . 5 ILE HG2 . 17000 1 41 . 1 1 5 5 ILE HG22 H 1 1.001 0.02 . 1 . . . . 5 ILE HG2 . 17000 1 42 . 1 1 5 5 ILE HG23 H 1 1.001 0.02 . 1 . . . . 5 ILE HG2 . 17000 1 43 . 1 1 5 5 ILE HD11 H 1 0.661 0.02 . 1 . . . . 5 ILE HD1 . 17000 1 44 . 1 1 5 5 ILE HD12 H 1 0.661 0.02 . 1 . . . . 5 ILE HD1 . 17000 1 45 . 1 1 5 5 ILE HD13 H 1 0.661 0.02 . 1 . . . . 5 ILE HD1 . 17000 1 46 . 1 1 5 5 ILE HG12 H 1 1.212 0.02 . 1 . . . . 5 ILE HG12 . 17000 1 47 . 1 1 5 5 ILE HG13 H 1 1.212 0.02 . 1 . . . . 5 ILE HG13 . 17000 1 48 . 1 1 5 5 ILE C C 13 174.08 0.40 . 1 . . . . 5 ILE C . 17000 1 49 . 1 1 5 5 ILE CA C 13 61.16 0.40 . 1 . . . . 5 ILE CA . 17000 1 50 . 1 1 5 5 ILE CB C 13 38.81 0.40 . 1 . . . . 5 ILE CB . 17000 1 51 . 1 1 5 5 ILE N N 15 119.781 0.40 . 1 . . . . 5 ILE N . 17000 1 52 . 1 1 6 6 THR H H 1 8.015 0.02 . 1 . . . . 6 THR H . 17000 1 53 . 1 1 6 6 THR HA H 1 4.466 0.40 . 1 . . . . 6 THR HA . 17000 1 54 . 1 1 6 6 THR HB H 1 3.953 0.02 . 1 . . . . 6 THR HB . 17000 1 55 . 1 1 6 6 THR HG1 H 1 5.076 0.02 . 1 . . . . 6 THR HG1 . 17000 1 56 . 1 1 6 6 THR HG21 H 1 1.127 0.02 . 1 . . . . 6 THR HG2 . 17000 1 57 . 1 1 6 6 THR HG22 H 1 1.127 0.02 . 1 . . . . 6 THR HG2 . 17000 1 58 . 1 1 6 6 THR HG23 H 1 1.127 0.02 . 1 . . . . 6 THR HG2 . 17000 1 59 . 1 1 6 6 THR C C 13 171.48 0.40 . 1 . . . . 6 THR C . 17000 1 60 . 1 1 6 6 THR CA C 13 61.48 0.40 . 1 . . . . 6 THR CA . 17000 1 61 . 1 1 6 6 THR CB C 13 69.49 0.40 . 1 . . . . 6 THR CB . 17000 1 62 . 1 1 6 6 THR N N 15 118.592 0.40 . 1 . . . . 6 THR N . 17000 1 63 . 1 1 7 7 ALA H H 1 8.121 0.02 . 1 . . . . 7 ALA H . 17000 1 64 . 1 1 7 7 ALA HA H 1 4.045 0.40 . 1 . . . . 7 ALA HA . 17000 1 65 . 1 1 7 7 ALA HB1 H 1 1.128 0.02 . 1 . . . . 7 ALA HB . 17000 1 66 . 1 1 7 7 ALA HB2 H 1 1.128 0.02 . 1 . . . . 7 ALA HB . 17000 1 67 . 1 1 7 7 ALA HB3 H 1 1.128 0.02 . 1 . . . . 7 ALA HB . 17000 1 68 . 1 1 7 7 ALA C C 13 174.78 0.40 . 1 . . . . 7 ALA C . 17000 1 69 . 1 1 7 7 ALA CA C 13 52.35 0.40 . 1 . . . . 7 ALA CA . 17000 1 70 . 1 1 7 7 ALA CB C 13 19.21 0.40 . 1 . . . . 7 ALA CB . 17000 1 71 . 1 1 7 7 ALA N N 15 126.506 0.40 . 1 . . . . 7 ALA N . 17000 1 72 . 1 1 8 8 LEU H H 1 8.045 0.02 . 1 . . . . 8 LEU H . 17000 1 73 . 1 1 8 8 LEU HA H 1 4.078 0.40 . 1 . . . . 8 LEU HA . 17000 1 74 . 1 1 8 8 LEU HB2 H 1 1.633 0.02 . 1 . . . . 8 LEU HB2 . 17000 1 75 . 1 1 8 8 LEU HB3 H 1 1.529 0.02 . 1 . . . . 8 LEU HB3 . 17000 1 76 . 1 1 8 8 LEU HD11 H 1 0.644 0.02 . 1 . . . . 8 LEU HD1 . 17000 1 77 . 1 1 8 8 LEU HD12 H 1 0.644 0.02 . 1 . . . . 8 LEU HD1 . 17000 1 78 . 1 1 8 8 LEU HD13 H 1 0.644 0.02 . 1 . . . . 8 LEU HD1 . 17000 1 79 . 1 1 8 8 LEU HD21 H 1 0.618 0.02 . 1 . . . . 8 LEU HD2 . 17000 1 80 . 1 1 8 8 LEU HD22 H 1 0.618 0.02 . 1 . . . . 8 LEU HD2 . 17000 1 81 . 1 1 8 8 LEU HD23 H 1 0.618 0.02 . 1 . . . . 8 LEU HD2 . 17000 1 82 . 1 1 8 8 LEU HG H 1 1.361 0.02 . 1 . . . . 8 LEU HG . 17000 1 83 . 1 1 8 8 LEU C C 13 174.88 0.40 . 1 . . . . 8 LEU C . 17000 1 84 . 1 1 8 8 LEU CA C 13 54.87 0.40 . 1 . . . . 8 LEU CA . 17000 1 85 . 1 1 8 8 LEU CB C 13 42.59 0.40 . 1 . . . . 8 LEU CB . 17000 1 86 . 1 1 8 8 LEU N N 15 121.293 0.40 . 1 . . . . 8 LEU N . 17000 1 87 . 1 1 9 9 THR H H 1 8.147 0.02 . 1 . . . . 9 THR H . 17000 1 88 . 1 1 9 9 THR HB H 1 4.181 0.02 . 1 . . . . 9 THR HB . 17000 1 89 . 1 1 9 9 THR HG21 H 1 1.361 0.02 . 1 . . . . 9 THR HG . 17000 1 90 . 1 1 9 9 THR HG22 H 1 1.361 0.02 . 1 . . . . 9 THR HG . 17000 1 91 . 1 1 9 9 THR HG23 H 1 1.361 0.02 . 1 . . . . 9 THR HG . 17000 1 92 . 1 1 9 9 THR C C 13 170.58 0.40 . 1 . . . . 9 THR C . 17000 1 93 . 1 1 9 9 THR CA C 13 59.40 0.40 . 1 . . . . 9 THR CA . 17000 1 94 . 1 1 9 9 THR CB C 13 68.95 0.40 . 1 . . . . 9 THR CB . 17000 1 95 . 1 1 9 9 THR N N 15 116.416 0.40 . 1 . . . . 9 THR N . 17000 1 96 . 1 1 11 11 ASN H H 1 8.344 0.02 . 1 . . . . 11 ASN H . 17000 1 97 . 1 1 11 11 ASN HA H 1 4.667 0.40 . 1 . . . . 11 ASN HA . 17000 1 98 . 1 1 11 11 ASN HB2 H 1 2.534 0.02 . 1 . . . . 11 ASN HB2 . 17000 1 99 . 1 1 11 11 ASN HB3 H 1 2.534 0.02 . 1 . . . . 11 ASN HB3 . 17000 1 100 . 1 1 11 11 ASN C C 13 173.08 0.40 . 1 . . . . 11 ASN C . 17000 1 101 . 1 1 11 11 ASN CA C 13 54.05 0.40 . 1 . . . . 11 ASN CA . 17000 1 102 . 1 1 11 11 ASN CB C 13 38.30 0.40 . 1 . . . . 11 ASN CB . 17000 1 103 . 1 1 11 11 ASN N N 15 117.203 0.40 . 1 . . . . 11 ASN N . 17000 1 104 . 1 1 12 12 GLN H H 1 8.016 0.02 . 1 . . . . 12 GLN H . 17000 1 105 . 1 1 12 12 GLN HA H 1 4.268 0.40 . 1 . . . . 12 GLN HA . 17000 1 106 . 1 1 12 12 GLN HB2 H 1 2.128 0.02 . 1 . . . . 12 GLN HB2 . 17000 1 107 . 1 1 12 12 GLN HB3 H 1 2.128 0.02 . 1 . . . . 12 GLN HB3 . 17000 1 108 . 1 1 12 12 GLN HG2 H 1 2.307 0.02 . 1 . . . . 12 GLN HG2 . 17000 1 109 . 1 1 12 12 GLN HG3 H 1 2.314 0.02 . 1 . . . . 12 GLN HG3 . 17000 1 110 . 1 1 12 12 GLN C C 13 174.38 0.40 . 1 . . . . 12 GLN C . 17000 1 111 . 1 1 12 12 GLN CA C 13 57.35 0.40 . 1 . . . . 12 GLN CA . 17000 1 112 . 1 1 12 12 GLN CB C 13 29.17 0.40 . 1 . . . . 12 GLN CB . 17000 1 113 . 1 1 12 12 GLN N N 15 120.508 0.40 . 1 . . . . 12 GLN N . 17000 1 114 . 1 1 13 13 VAL H H 1 8.074 0.02 . 1 . . . . 13 VAL H . 17000 1 115 . 1 1 13 13 VAL HA H 1 4.117 0.40 . 1 . . . . 13 VAL HA . 17000 1 116 . 1 1 13 13 VAL HB H 1 1.83 0.02 . 1 . . . . 13 VAL HB . 17000 1 117 . 1 1 13 13 VAL HG11 H 1 0.694 0.02 . 1 . . . . 13 VAL HG1 . 17000 1 118 . 1 1 13 13 VAL HG12 H 1 0.694 0.02 . 1 . . . . 13 VAL HG1 . 17000 1 119 . 1 1 13 13 VAL HG13 H 1 0.694 0.02 . 1 . . . . 13 VAL HG1 . 17000 1 120 . 1 1 13 13 VAL HG21 H 1 0.694 0.02 . 1 . . . . 13 VAL HG2 . 17000 1 121 . 1 1 13 13 VAL HG22 H 1 0.694 0.02 . 1 . . . . 13 VAL HG2 . 17000 1 122 . 1 1 13 13 VAL HG23 H 1 0.694 0.02 . 1 . . . . 13 VAL HG2 . 17000 1 123 . 1 1 13 13 VAL C C 13 173.58 0.40 . 1 . . . . 13 VAL C . 17000 1 124 . 1 1 13 13 VAL CA C 13 63.65 0.40 . 1 . . . . 13 VAL CA . 17000 1 125 . 1 1 13 13 VAL CB C 13 32.39 0.40 . 1 . . . . 13 VAL CB . 17000 1 126 . 1 1 13 13 VAL N N 15 121.093 0.40 . 1 . . . . 13 VAL N . 17000 1 127 . 1 1 14 14 ASN H H 1 8.191 0.02 . 1 . . . . 14 ASN H . 17000 1 128 . 1 1 14 14 ASN HA H 1 4.672 0.40 . 1 . . . . 14 ASN HA . 17000 1 129 . 1 1 14 14 ASN HB2 H 1 2.579 0.02 . 1 . . . . 14 ASN HB2 . 17000 1 130 . 1 1 14 14 ASN HB3 H 1 2.59 0.02 . 1 . . . . 14 ASN HB3 . 17000 1 131 . 1 1 14 14 ASN C C 13 173.18 0.40 . 1 . . . . 14 ASN C . 17000 1 132 . 1 1 14 14 ASN CA C 13 54.20 0.40 . 1 . . . . 14 ASN CA . 17000 1 133 . 1 1 14 14 ASN CB C 13 38.49 0.40 . 1 . . . . 14 ASN CB . 17000 1 134 . 1 1 14 14 ASN N N 15 120.826 0.40 . 1 . . . . 14 ASN N . 17000 1 135 . 1 1 15 15 ASP H H 1 8.189 0.02 . 1 . . . . 15 ASP H . 17000 1 136 . 1 1 15 15 ASP HA H 1 4.665 0.40 . 1 . . . . 15 ASP HA . 17000 1 137 . 1 1 15 15 ASP HB2 H 1 2.647 0.02 . 1 . . . . 15 ASP HB2 . 17000 1 138 . 1 1 15 15 ASP HB3 H 1 2.429 0.02 . 1 . . . . 15 ASP HB3 . 17000 1 139 . 1 1 15 15 ASP C C 13 172.48 0.40 . 1 . . . . 15 ASP C . 17000 1 140 . 1 1 15 15 ASP CA C 13 55.30 0.40 . 1 . . . . 15 ASP CA . 17000 1 141 . 1 1 15 15 ASP CB C 13 40.68 0.40 . 1 . . . . 15 ASP CB . 17000 1 142 . 1 1 15 15 ASP N N 15 121.359 0.40 . 1 . . . . 15 ASP N . 17000 1 143 . 1 1 16 16 GLU H H 1 8.124 0.02 . 1 . . . . 16 GLU H . 17000 1 144 . 1 1 16 16 GLU HA H 1 3.894 0.40 . 1 . . . . 16 GLU HA . 17000 1 145 . 1 1 16 16 GLU HB2 H 1 1.725 0.02 . 1 . . . . 16 GLU HB2 . 17000 1 146 . 1 1 16 16 GLU HB3 H 1 1.764 0.02 . 1 . . . . 16 GLU HB3 . 17000 1 147 . 1 1 16 16 GLU HG2 H 1 2.101 0.02 . 1 . . . . 16 GLU HG2 . 17000 1 148 . 1 1 16 16 GLU HG3 H 1 2.101 0.02 . 1 . . . . 16 GLU HG3 . 17000 1 149 . 1 1 16 16 GLU C C 13 175.68 0.40 . 1 . . . . 16 GLU C . 17000 1 150 . 1 1 16 16 GLU CA C 13 57.90 0.40 . 1 . . . . 16 GLU CA . 17000 1 151 . 1 1 16 16 GLU CB C 13 29.66 0.40 . 1 . . . . 16 GLU CB . 17000 1 152 . 1 1 16 16 GLU N N 15 120.13 0.40 . 1 . . . . 16 GLU N . 17000 1 153 . 1 1 17 17 LEU H H 1 7.93 0.02 . 1 . . . . 17 LEU H . 17000 1 154 . 1 1 17 17 LEU HB2 H 1 1.629 0.02 . 1 . . . . 17 LEU HB2 . 17000 1 155 . 1 1 17 17 LEU HB3 H 1 1.525 0.02 . 1 . . . . 17 LEU HB3 . 17000 1 156 . 1 1 17 17 LEU HD11 H 1 0.654 0.02 . 1 . . . . 17 LEU HD1 . 17000 1 157 . 1 1 17 17 LEU HD12 H 1 0.654 0.02 . 1 . . . . 17 LEU HD1 . 17000 1 158 . 1 1 17 17 LEU HD13 H 1 0.654 0.02 . 1 . . . . 17 LEU HD1 . 17000 1 159 . 1 1 17 17 LEU HD21 H 1 0.658 0.02 . 1 . . . . 17 LEU HD2 . 17000 1 160 . 1 1 17 17 LEU HD22 H 1 0.658 0.02 . 1 . . . . 17 LEU HD2 . 17000 1 161 . 1 1 17 17 LEU HD23 H 1 0.658 0.02 . 1 . . . . 17 LEU HD2 . 17000 1 162 . 1 1 17 17 LEU HG H 1 1.364 0.02 . 1 . . . . 17 LEU HG . 17000 1 163 . 1 1 17 17 LEU C C 13 176.18 0.40 . 1 . . . . 17 LEU C . 17000 1 164 . 1 1 17 17 LEU CA C 13 57.31 0.40 . 1 . . . . 17 LEU CA . 17000 1 165 . 1 1 17 17 LEU CB C 13 41.63 0.40 . 1 . . . . 17 LEU CB . 17000 1 166 . 1 1 17 17 LEU N N 15 121.058 0.40 . 1 . . . . 17 LEU N . 17000 1 167 . 1 1 18 18 ASN H H 1 8.074 0.02 . 1 . . . . 18 ASN H . 17000 1 168 . 1 1 18 18 ASN HB2 H 1 2.532 0.02 . 1 . . . . 18 ASN HB2 . 17000 1 169 . 1 1 18 18 ASN HB3 H 1 2.547 0.02 . 1 . . . . 18 ASN HB3 . 17000 1 170 . 1 1 18 18 ASN C C 13 174.68 0.40 . 1 . . . . 18 ASN C . 17000 1 171 . 1 1 18 18 ASN CA C 13 54.67 0.40 . 1 . . . . 18 ASN CA . 17000 1 172 . 1 1 18 18 ASN CB C 13 38.13 0.40 . 1 . . . . 18 ASN CB . 17000 1 173 . 1 1 18 18 ASN N N 15 117.981 0.40 . 1 . . . . 18 ASN N . 17000 1 174 . 1 1 19 19 LYS H H 1 7.958 0.02 . 1 . . . . 19 LYS H . 17000 1 175 . 1 1 19 19 LYS HA H 1 4.006 0.40 . 1 . . . . 19 LYS HA . 17000 1 176 . 1 1 19 19 LYS HB2 H 1 1.697 0.02 . 1 . . . . 19 LYS HB2 . 17000 1 177 . 1 1 19 19 LYS HB3 H 1 1.712 0.02 . 1 . . . . 19 LYS HB3 . 17000 1 178 . 1 1 19 19 LYS HD2 H 1 1.600 0.02 . 1 . . . . 19 LYS HD2 . 17000 1 179 . 1 1 19 19 LYS HD3 H 1 1.590 0.02 . 1 . . . . 19 LYS HD3 . 17000 1 180 . 1 1 19 19 LYS HE2 H 1 2.615 0.02 . 1 . . . . 19 LYS HE2 . 17000 1 181 . 1 1 19 19 LYS HE3 H 1 2.626 0.02 . 1 . . . . 19 LYS HE3 . 17000 1 182 . 1 1 19 19 LYS HG2 H 1 1.357 0.02 . 1 . . . . 19 LYS HG2 . 17000 1 183 . 1 1 19 19 LYS HG3 H 1 1.375 0.02 . 1 . . . . 19 LYS HG3 . 17000 1 184 . 1 1 19 19 LYS C C 13 175.88 0.40 . 1 . . . . 19 LYS C . 17000 1 185 . 1 1 19 19 LYS CA C 13 58.33 0.40 . 1 . . . . 19 LYS CA . 17000 1 186 . 1 1 19 19 LYS CB C 13 32.39 0.40 . 1 . . . . 19 LYS CB . 17000 1 187 . 1 1 19 19 LYS N N 15 120.992 0.40 . 1 . . . . 19 LYS N . 17000 1 188 . 1 1 20 20 MET H H 1 8.006 0.02 . 1 . . . . 20 MET H . 17000 1 189 . 1 1 20 20 MET HA H 1 4.225 0.02 . 1 . . . . 20 MET HA . 17000 1 190 . 1 1 20 20 MET HB2 H 1 1.917 0.02 . 1 . . . . 20 MET HB2 . 17000 1 191 . 1 1 20 20 MET HB3 H 1 1.923 0.02 . 1 . . . . 20 MET HB3 . 17000 1 192 . 1 1 20 20 MET HG2 H 1 2.443 0.02 . 1 . . . . 20 MET HG2 . 17000 1 193 . 1 1 20 20 MET HG3 H 1 2.44 0.02 . 1 . . . . 20 MET HG3 . 17000 1 194 . 1 1 20 20 MET C C 13 175.28 0.40 . 1 . . . . 20 MET C . 17000 1 195 . 1 1 20 20 MET CA C 13 56.84 0.40 . 1 . . . . 20 MET CA . 17000 1 196 . 1 1 20 20 MET CB C 13 31.93 0.40 . 1 . . . . 20 MET CB . 17000 1 197 . 1 1 20 20 MET N N 15 119.604 0.40 . 1 . . . . 20 MET N . 17000 1 198 . 1 1 21 21 GLN H H 1 8.131 0.20 . 1 . . . . 21 GLN H . 17000 1 199 . 1 1 21 21 GLN HA H 1 3.897 0.40 . 1 . . . . 21 GLN HA . 17000 1 200 . 1 1 21 21 GLN HB2 H 1 1.914 0.20 . 1 . . . . 21 GLN HB2 . 17000 1 201 . 1 1 21 21 GLN HB3 H 1 1.894 0.20 . 1 . . . . 21 GLN HB3 . 17000 1 202 . 1 1 21 21 GLN HG2 H 1 2.195 0.20 . 1 . . . . 21 GLN HG2 . 17000 1 203 . 1 1 21 21 GLN HG3 H 1 2.199 0.20 . 1 . . . . 21 GLN HG3 . 17000 1 204 . 1 1 21 21 GLN C C 13 174.98 0.40 . 1 . . . . 21 GLN C . 17000 1 205 . 1 1 21 21 GLN CA C 13 57.12 0.40 . 1 . . . . 21 GLN CA . 17000 1 206 . 1 1 21 21 GLN CB C 13 28.62 0.40 . 1 . . . . 21 GLN CB . 17000 1 207 . 1 1 21 21 GLN N N 15 119.16 0.40 . 1 . . . . 21 GLN N . 17000 1 208 . 1 1 22 22 ALA H H 1 7.959 0.02 . 1 . . . . 22 ALA H . 17000 1 209 . 1 1 22 22 ALA HA H 1 3.923 0.40 . 1 . . . . 22 ALA HA . 17000 1 210 . 1 1 22 22 ALA HB1 H 1 1.203 0.02 . 1 . . . . 22 ALA HB . 17000 1 211 . 1 1 22 22 ALA HB2 H 1 1.203 0.02 . 1 . . . . 22 ALA HB . 17000 1 212 . 1 1 22 22 ALA HB3 H 1 1.203 0.02 . 1 . . . . 22 ALA HB . 17000 1 213 . 1 1 22 22 ALA C C 13 176.58 0.40 . 1 . . . . 22 ALA C . 17000 1 214 . 1 1 22 22 ALA CA C 13 54.38 0.40 . 1 . . . . 22 ALA CA . 17000 1 215 . 1 1 22 22 ALA CB C 13 19.74 0.40 . 1 . . . . 22 ALA CB . 17000 1 216 . 1 1 22 22 ALA N N 15 122.414 0.40 . 1 . . . . 22 ALA N . 17000 1 217 . 1 1 23 23 PHE H H 1 7.828 0.02 . 1 . . . . 23 PHE H . 17000 1 218 . 1 1 23 23 PHE HA H 1 4.171 0.40 . 1 . . . . 23 PHE HA . 17000 1 219 . 1 1 23 23 PHE HB2 H 1 3.002 0.02 . 1 . . . . 23 PHE HB2 . 17000 1 220 . 1 1 23 23 PHE HB3 H 1 3.002 0.02 . 1 . . . . 23 PHE HB3 . 17000 1 221 . 1 1 23 23 PHE HD2 H 1 6.612 0.02 . 1 . . . . 23 PHE HD2 . 17000 1 222 . 1 1 23 23 PHE HE2 H 1 6.987 0.02 . 1 . . . . 23 PHE HE2 . 17000 1 223 . 1 1 23 23 PHE C C 13 174.28 0.40 . 1 . . . . 23 PHE C . 17000 1 224 . 1 1 23 23 PHE CA C 13 59.69 0.40 . 1 . . . . 23 PHE CA . 17000 1 225 . 1 1 23 23 PHE CB C 13 38.96 0.40 . 1 . . . . 23 PHE CB . 17000 1 226 . 1 1 23 23 PHE N N 15 119.658 0.40 . 1 . . . . 23 PHE N . 17000 1 227 . 1 1 24 24 ILE H H 1 7.919 0.02 . 1 . . . . 24 ILE H . 17000 1 228 . 1 1 24 24 ILE HA H 1 4.159 0.40 . 1 . . . . 24 ILE HA . 17000 1 229 . 1 1 24 24 ILE HB H 1 1.597 0.02 . 1 . . . . 24 ILE HB . 17000 1 230 . 1 1 24 24 ILE HD11 H 1 0.661 0.02 . 1 . . . . 24 ILE HD . 17000 1 231 . 1 1 24 24 ILE HD12 H 1 0.661 0.02 . 1 . . . . 24 ILE HD . 17000 1 232 . 1 1 24 24 ILE HD13 H 1 0.661 0.02 . 1 . . . . 24 ILE HD . 17000 1 233 . 1 1 24 24 ILE HG12 H 1 1.21 0.02 . 1 . . . . 24 ILE HG12 . 17000 1 234 . 1 1 24 24 ILE HG13 H 1 1.217 0.02 . 1 . . . . 24 ILE HG13 . 17000 1 235 . 1 1 24 24 ILE HG21 H 1 0.995 0.02 . 1 . . . . 24 ILE HG2 . 17000 1 236 . 1 1 24 24 ILE HG22 H 1 0.995 0.02 . 1 . . . . 24 ILE HG2 . 17000 1 237 . 1 1 24 24 ILE HG23 H 1 0.995 0.02 . 1 . . . . 24 ILE HG2 . 17000 1 238 . 1 1 24 24 ILE C C 13 175.38 0.40 . 1 . . . . 24 ILE C . 17000 1 239 . 1 1 24 24 ILE CA C 13 62.83 0.40 . 1 . . . . 24 ILE CA . 17000 1 240 . 1 1 24 24 ILE CB C 13 38.25 0.40 . 1 . . . . 24 ILE CB . 17000 1 241 . 1 1 24 24 ILE N N 15 121.374 0.40 . 1 . . . . 24 ILE N . 17000 1 242 . 1 1 25 25 ARG H H 1 7.99 0.02 . 1 . . . . 25 ARG H . 17000 1 243 . 1 1 25 25 ARG HA H 1 4.228 0.40 . 1 . . . . 25 ARG HA . 17000 1 244 . 1 1 25 25 ARG HB2 H 1 1.622 0.02 . 1 . . . . 25 ARG HB2 . 17000 1 245 . 1 1 25 25 ARG HB3 H 1 1.629 0.02 . 1 . . . . 25 ARG HB3 . 17000 1 246 . 1 1 25 25 ARG HD2 H 1 2.799 0.02 . 1 . . . . 25 ARG HD2 . 17000 1 247 . 1 1 25 25 ARG HD3 H 1 2.791 0.02 . 1 . . . . 25 ARG HD3 . 17000 1 248 . 1 1 25 25 ARG HG2 H 1 1.396 0.02 . 1 . . . . 25 ARG HG2 . 17000 1 249 . 1 1 25 25 ARG HG3 H 1 1.407 0.02 . 1 . . . . 25 ARG HG3 . 17000 1 250 . 1 1 25 25 ARG C C 13 174.38 0.40 . 1 . . . . 25 ARG C . 17000 1 251 . 1 1 25 25 ARG CA C 13 57.08 0.40 . 1 . . . . 25 ARG CA . 17000 1 252 . 1 1 25 25 ARG CB C 13 29.78 0.40 . 1 . . . . 25 ARG CB . 17000 1 253 . 1 1 25 25 ARG N N 15 121.29 0.40 . 1 . . . . 25 ARG N . 17000 1 254 . 1 1 26 26 LYS H H 1 8.104 0.02 . 1 . . . . 26 LYS H . 17000 1 255 . 1 1 26 26 LYS HA H 1 4.002 0.40 . 1 . . . . 26 LYS HA . 17000 1 256 . 1 1 26 26 LYS HB2 H 1 1.739 0.02 . 1 . . . . 26 LYS HB2 . 17000 1 257 . 1 1 26 26 LYS HB3 H 1 1.744 0.02 . 1 . . . . 26 LYS HB3 . 17000 1 258 . 1 1 26 26 LYS HD2 H 1 1.579 0.02 . 1 . . . . 26 LYS HD2 . 17000 1 259 . 1 1 26 26 LYS HD3 H 1 1.590 0.02 . 1 . . . . 26 LYS HD3 . 17000 1 260 . 1 1 26 26 LYS HG2 H 1 1.36 0.02 . 1 . . . . 26 LYS HG2 . 17000 1 261 . 1 1 26 26 LYS HG3 H 1 1.367 0.02 . 1 . . . . 26 LYS HG3 . 17000 1 262 . 1 1 26 26 LYS C C 13 170.90 0.40 . 1 . . . . 26 LYS C . 17000 1 263 . 1 1 26 26 LYS CA C 13 57.86 0.40 . 1 . . . . 26 LYS CA . 17000 1 264 . 1 1 26 26 LYS CB C 13 32.29 0.40 . 1 . . . . 26 LYS CB . 17000 1 265 . 1 1 26 26 LYS N N 15 120.627 0.40 . 1 . . . . 26 LYS N . 17000 1 266 . 1 1 27 27 GLU H H 1 8.431 0.02 . 1 . . . . 27 GLU H . 17000 1 267 . 1 1 27 27 GLU HA H 1 3.977 0.40 . 1 . . . . 27 GLU HA . 17000 1 268 . 1 1 27 27 GLU HB2 H 1 1.743 0.02 . 1 . . . . 27 GLU HB2 . 17000 1 269 . 1 1 27 27 GLU HB3 H 1 1.743 0.02 . 1 . . . . 27 GLU HB3 . 17000 1 270 . 1 1 27 27 GLU C C 13 172.08 0.40 . 1 . . . . 27 GLU C . 17000 1 271 . 1 1 27 27 GLU CA C 13 55.91 0.40 . 1 . . . . 27 GLU CA . 17000 1 272 . 1 1 27 27 GLU CB C 13 30.18 0.40 . 1 . . . . 27 GLU CB . 17000 1 273 . 1 1 27 27 GLU N N 15 121.046 0.40 . 1 . . . . 27 GLU N . 17000 1 274 . 1 1 28 28 ALA H H 1 7.893 0.02 . 1 . . . . 28 ALA H . 17000 1 275 . 1 1 28 28 ALA HA H 1 3.928 0.40 . 1 . . . . 28 ALA HA . 17000 1 276 . 1 1 28 28 ALA HB1 H 1 1.237 0.02 . 1 . . . . 28 ALA HB . 17000 1 277 . 1 1 28 28 ALA HB2 H 1 1.237 0.02 . 1 . . . . 28 ALA HB . 17000 1 278 . 1 1 28 28 ALA HB3 H 1 1.237 0.02 . 1 . . . . 28 ALA HB . 17000 1 279 . 1 1 28 28 ALA C C 13 177.48 0.40 . 1 . . . . 28 ALA C . 17000 1 280 . 1 1 28 28 ALA CA C 13 54.11 0.40 . 1 . . . . 28 ALA CA . 17000 1 281 . 1 1 28 28 ALA CB C 13 18.26 0.40 . 1 . . . . 28 ALA CB . 17000 1 282 . 1 1 28 28 ALA N N 15 122.246 0.40 . 1 . . . . 28 ALA N . 17000 1 283 . 1 1 29 29 GLU H H 1 8.086 0.02 . 1 . . . . 29 GLU H . 17000 1 284 . 1 1 29 29 GLU HA H 1 3.920 0.40 . 1 . . . . 29 GLU HA . 17000 1 285 . 1 1 29 29 GLU HB2 H 1 2.134 0.02 . 1 . . . . 29 GLU HB2 . 17000 1 286 . 1 1 29 29 GLU HB3 H 1 2.138 0.02 . 1 . . . . 29 GLU HB3 . 17000 1 287 . 1 1 29 29 GLU C C 13 175.38 0.40 . 1 . . . . 29 GLU C . 17000 1 288 . 1 1 29 29 GLU CA C 13 58.25 0.40 . 1 . . . . 29 GLU CA . 17000 1 289 . 1 1 29 29 GLU CB C 13 29.63 0.40 . 1 . . . . 29 GLU CB . 17000 1 290 . 1 1 29 29 GLU N N 15 120.002 0.40 . 1 . . . . 29 GLU N . 17000 1 291 . 1 1 30 30 GLU H H 1 8.019 0.02 . 1 . . . . 30 GLU H . 17000 1 292 . 1 1 30 30 GLU HA H 1 3.933 0.40 . 1 . . . . 30 GLU HA . 17000 1 293 . 1 1 30 30 GLU HB2 H 1 1.880 0.02 . 1 . . . . 30 GLU HB2 . 17000 1 294 . 1 1 30 30 GLU HB3 H 1 1.873 0.02 . 1 . . . . 30 GLU HB3 . 17000 1 295 . 1 1 30 30 GLU HG2 H 1 2.099 0.02 . 1 . . . . 30 GLU HG2 . 17000 1 296 . 1 1 30 30 GLU HG3 H 1 2.099 0.02 . 1 . . . . 30 GLU HG3 . 17000 1 297 . 1 1 30 30 GLU C C 13 175.38 0.40 . 1 . . . . 30 GLU C . 17000 1 298 . 1 1 30 30 GLU CA C 13 58.24 0.40 . 1 . . . . 30 GLU CA . 17000 1 299 . 1 1 30 30 GLU CB C 13 29.74 0.40 . 1 . . . . 30 GLU CB . 17000 1 300 . 1 1 30 30 GLU N N 15 121.025 0.40 . 1 . . . . 30 GLU N . 17000 1 301 . 1 1 31 31 LYS H H 1 8.137 0.02 . 1 . . . . 31 LYS H . 17000 1 302 . 1 1 31 31 LYS HA H 1 3.881 0.40 . 1 . . . . 31 LYS HA . 17000 1 303 . 1 1 31 31 LYS HB2 H 1 1.830 0.02 . 1 . . . . 31 LYS HB2 . 17000 1 304 . 1 1 31 31 LYS HB3 H 1 1.826 0.02 . 1 . . . . 31 LYS HB3 . 17000 1 305 . 1 1 31 31 LYS HD2 H 1 1.658 0.02 . 1 . . . . 31 LYS HD2 . 17000 1 306 . 1 1 31 31 LYS HD3 H 1 1.669 0.02 . 1 . . . . 31 LYS HD3 . 17000 1 307 . 1 1 31 31 LYS HG2 H 1 1.371 0.02 . 1 . . . . 31 LYS HG2 . 17000 1 308 . 1 1 31 31 LYS HG3 H 1 1.375 0.02 . 1 . . . . 31 LYS HG3 . 17000 1 309 . 1 1 31 31 LYS C C 13 175.98 0.40 . 1 . . . . 31 LYS C . 17000 1 310 . 1 1 31 31 LYS CA C 13 57.86 0.40 . 1 . . . . 31 LYS CA . 17000 1 311 . 1 1 31 31 LYS CB C 13 32.29 0.40 . 1 . . . . 31 LYS CB . 17000 1 312 . 1 1 31 31 LYS N N 15 120.512 0.40 . 1 . . . . 31 LYS N . 17000 1 313 . 1 1 32 32 ALA H H 1 7.81 0.02 . 1 . . . . 32 ALA H . 17000 1 314 . 1 1 32 32 ALA HA H 1 3.938 0.40 . 1 . . . . 32 ALA HA . 17000 1 315 . 1 1 32 32 ALA HB1 H 1 1.213 0.02 . 1 . . . . 32 ALA HB . 17000 1 316 . 1 1 32 32 ALA HB2 H 1 1.213 0.02 . 1 . . . . 32 ALA HB . 17000 1 317 . 1 1 32 32 ALA HB3 H 1 1.213 0.02 . 1 . . . . 32 ALA HB . 17000 1 318 . 1 1 32 32 ALA C C 13 176.88 0.40 . 1 . . . . 32 ALA C . 17000 1 319 . 1 1 32 32 ALA CA C 13 53.97 0.40 . 1 . . . . 32 ALA CA . 17000 1 320 . 1 1 32 32 ALA CB C 13 18.18 0.40 . 1 . . . . 32 ALA CB . 17000 1 321 . 1 1 32 32 ALA N N 15 121.94 0.40 . 1 . . . . 32 ALA N . 17000 1 322 . 1 1 33 33 LYS H H 1 7.771 0.02 . 1 . . . . 33 LYS H . 17000 1 323 . 1 1 33 33 LYS HA H 1 3.933 0.40 . 1 . . . . 33 LYS HA . 17000 1 324 . 1 1 33 33 LYS HB2 H 1 1.679 0.02 . 1 . . . . 33 LYS HB2 . 17000 1 325 . 1 1 33 33 LYS HB3 H 1 1.679 0.20 . 1 . . . . 33 LYS HB3 . 17000 1 326 . 1 1 33 33 LYS HD2 H 1 1.410 0.02 . 1 . . . . 33 LYS HD2 . 17000 1 327 . 1 1 33 33 LYS HD3 H 1 1.410 0.02 . 1 . . . . 33 LYS HD3 . 17000 1 328 . 1 1 33 33 LYS HG2 H 1 1.188 0.02 . 1 . . . . 33 LYS HG2 . 17000 1 329 . 1 1 33 33 LYS HG3 H 1 1.185 0.02 . 1 . . . . 33 LYS HG3 . 17000 1 330 . 1 1 33 33 LYS C C 13 175.18 0.40 . 1 . . . . 33 LYS C . 17000 1 331 . 1 1 33 33 LYS CA C 13 57.77 0.40 . 1 . . . . 33 LYS CA . 17000 1 332 . 1 1 33 33 LYS CB C 13 32.43 0.40 . 1 . . . . 33 LYS CB . 17000 1 333 . 1 1 33 33 LYS N N 15 119.153 0.40 . 1 . . . . 33 LYS N . 17000 1 334 . 1 1 34 34 GLU H H 1 7.851 0.02 . 1 . . . . 34 GLU H . 17000 1 335 . 1 1 34 34 GLU HA H 1 3.943 0.40 . 1 . . . . 34 GLU HA . 17000 1 336 . 1 1 34 34 GLU HB2 H 1 1.844 0.02 . 1 . . . . 34 GLU HB2 . 17000 1 337 . 1 1 34 34 GLU HB3 H 1 1.859 0.02 . 1 . . . . 34 GLU HB3 . 17000 1 338 . 1 1 34 34 GLU C C 13 175.18 0.40 . 1 . . . . 34 GLU C . 17000 1 339 . 1 1 34 34 GLU CA C 13 57.74 0.40 . 1 . . . . 34 GLU CA . 17000 1 340 . 1 1 34 34 GLU CB C 13 29.63 0.40 . 1 . . . . 34 GLU CB . 17000 1 341 . 1 1 34 34 GLU N N 15 120.547 0.40 . 1 . . . . 34 GLU N . 17000 1 342 . 1 1 35 35 ILE H H 1 7.963 0.02 . 1 . . . . 35 ILE H . 17000 1 343 . 1 1 35 35 ILE HA H 1 3.930 0.40 . 1 . . . . 35 ILE HA . 17000 1 344 . 1 1 35 35 ILE HB H 1 1.614 0.02 . 1 . . . . 35 ILE HB . 17000 1 345 . 1 1 35 35 ILE HG21 H 1 0.780 0.02 . 1 . . . . 35 ILE HG2 . 17000 1 346 . 1 1 35 35 ILE HG22 H 1 0.780 0.02 . 1 . . . . 35 ILE HG2 . 17000 1 347 . 1 1 35 35 ILE HG23 H 1 0.780 0.02 . 1 . . . . 35 ILE HG2 . 17000 1 348 . 1 1 35 35 ILE HG12 H 1 1.318 0.02 . 1 . . . . 35 ILE HG12 . 17000 1 349 . 1 1 35 35 ILE HG13 H 1 1.332 0.02 . 1 . . . . 35 ILE HG13 . 17000 1 350 . 1 1 35 35 ILE C C 13 174.98 0.40 . 1 . . . . 35 ILE C . 17000 1 351 . 1 1 35 35 ILE CA C 13 63.21 0.40 . 1 . . . . 35 ILE CA . 17000 1 352 . 1 1 35 35 ILE CB C 13 38.01 0.40 . 1 . . . . 35 ILE CB . 17000 1 353 . 1 1 35 35 ILE N N 15 121.825 0.40 . 1 . . . . 35 ILE N . 17000 1 354 . 1 1 36 36 GLN H H 1 7.974 0.02 . 1 . . . . 36 GLN H . 17000 1 355 . 1 1 36 36 GLN HA H 1 3.964 0.40 . 1 . . . . 36 GLN HA . 17000 1 356 . 1 1 36 36 GLN HB2 H 1 2.135 0.02 . 1 . . . . 36 GLN HB2 . 17000 1 357 . 1 1 36 36 GLN HB3 H 1 2.131 0.02 . 1 . . . . 36 GLN HB3 . 17000 1 358 . 1 1 36 36 GLN C C 13 173.88 0.40 . 1 . . . . 36 GLN C . 17000 1 359 . 1 1 36 36 GLN CA C 13 56.76 0.40 . 1 . . . . 36 GLN CA . 17000 1 360 . 1 1 36 36 GLN CB C 13 28.82 0.40 . 1 . . . . 36 GLN CB . 17000 1 361 . 1 1 36 36 GLN N N 15 122.717 0.40 . 1 . . . . 36 GLN N . 17000 1 362 . 1 1 37 37 LEU H H 1 8.099 0.02 . 1 . . . . 37 LEU H . 17000 1 363 . 1 1 37 37 LEU HA H 1 4.007 0.40 . 1 . . . . 37 LEU HA . 17000 1 364 . 1 1 37 37 LEU HB2 H 1 1.814 0.02 . 1 . . . . 37 LEU HB2 . 17000 1 365 . 1 1 37 37 LEU HB3 H 1 1.819 0.02 . 1 . . . . 37 LEU HB3 . 17000 1 366 . 1 1 37 37 LEU HD11 H 1 0.646 0.02 . 1 . . . . 37 LEU HD1 . 17000 1 367 . 1 1 37 37 LEU HD12 H 1 0.646 0.02 . 1 . . . . 37 LEU HD1 . 17000 1 368 . 1 1 37 37 LEU HD13 H 1 0.646 0.02 . 1 . . . . 37 LEU HD1 . 17000 1 369 . 1 1 37 37 LEU HD21 H 1 0.643 0.02 . 1 . . . . 37 LEU HD2 . 17000 1 370 . 1 1 37 37 LEU HD22 H 1 0.643 0.02 . 1 . . . . 37 LEU HD2 . 17000 1 371 . 1 1 37 37 LEU HD23 H 1 0.643 0.02 . 1 . . . . 37 LEU HD2 . 17000 1 372 . 1 1 37 37 LEU HG H 1 1.424 0.02 . 1 . . . . 37 LEU HG . 17000 1 373 . 1 1 37 37 LEU C C 13 175.78 0.40 . 1 . . . . 37 LEU C . 17000 1 374 . 1 1 37 37 LEU CA C 13 56.06 0.40 . 1 . . . . 37 LEU CA . 17000 1 375 . 1 1 37 37 LEU CB C 13 41.98 0.40 . 1 . . . . 37 LEU CB . 17000 1 376 . 1 1 37 37 LEU N N 15 122.094 0.40 . 1 . . . . 37 LEU N . 17000 1 377 . 1 1 38 38 LYS H H 1 7.873 0.02 . 1 . . . . 38 LYS H . 17000 1 378 . 1 1 38 38 LYS HA H 1 3.947 0.40 . 1 . . . . 38 LYS HA . 17000 1 379 . 1 1 38 38 LYS HB2 H 1 1.597 0.02 . 1 . . . . 38 LYS HB2 . 17000 1 380 . 1 1 38 38 LYS HB3 H 1 1.604 0.02 . 1 . . . . 38 LYS HB3 . 17000 1 381 . 1 1 38 38 LYS HD2 H 1 1.447 0.02 . 1 . . . . 38 LYS HD2 . 17000 1 382 . 1 1 38 38 LYS HD3 H 1 1.447 0.02 . 1 . . . . 38 LYS HD3 . 17000 1 383 . 1 1 38 38 LYS HG2 H 1 1.356 0.02 . 1 . . . . 38 LYS HG2 . 17000 1 384 . 1 1 38 38 LYS HG3 H 1 1.346 0.02 . 1 . . . . 38 LYS HG3 . 17000 1 385 . 1 1 38 38 LYS C C 13 174.68 0.40 . 1 . . . . 38 LYS C . 17000 1 386 . 1 1 38 38 LYS CA C 13 57.33 0.40 . 1 . . . . 38 LYS CA . 17000 1 387 . 1 1 38 38 LYS CB C 13 32.77 0.40 . 1 . . . . 38 LYS CB . 17000 1 388 . 1 1 38 38 LYS N N 15 120.609 0.40 . 1 . . . . 38 LYS N . 17000 1 389 . 1 1 39 39 ALA H H 1 7.994 0.02 . 1 . . . . 39 ALA H . 17000 1 390 . 1 1 39 39 ALA HA H 1 3.988 0.40 . 1 . . . . 39 ALA HA . 17000 1 391 . 1 1 39 39 ALA HB1 H 1 1.195 0.02 . 1 . . . . 39 ALA HB . 17000 1 392 . 1 1 39 39 ALA HB2 H 1 1.195 0.02 . 1 . . . . 39 ALA HB . 17000 1 393 . 1 1 39 39 ALA HB3 H 1 1.195 0.02 . 1 . . . . 39 ALA HB . 17000 1 394 . 1 1 39 39 ALA C C 13 176.18 0.40 . 1 . . . . 39 ALA C . 17000 1 395 . 1 1 39 39 ALA CA C 13 53.20 0.40 . 1 . . . . 39 ALA CA . 17000 1 396 . 1 1 39 39 ALA CB C 13 18.65 0.40 . 1 . . . . 39 ALA CB . 17000 1 397 . 1 1 39 39 ALA N N 15 124.032 0.02 . 1 . . . . 39 ALA N . 17000 1 398 . 1 1 40 40 ASP H H 1 8.221 0.02 . 1 . . . . 40 ASP H . 17000 1 399 . 1 1 40 40 ASP HA H 1 4.672 0.40 . 1 . . . . 40 ASP HA . 17000 1 400 . 1 1 40 40 ASP HB2 H 1 2.536 0.02 . 1 . . . . 40 ASP HB2 . 17000 1 401 . 1 1 40 40 ASP HB3 H 1 2.487 0.02 . 1 . . . . 40 ASP HB3 . 17000 1 402 . 1 1 40 40 ASP C C 13 174.58 0.40 . 1 . . . . 40 ASP C . 17000 1 403 . 1 1 40 40 ASP CA C 13 55.87 0.40 . 1 . . . . 40 ASP CA . 17000 1 404 . 1 1 40 40 ASP CB C 13 39.10 0.40 . 1 . . . . 40 ASP CB . 17000 1 405 . 1 1 40 40 ASP N N 15 119.08 0.40 . 1 . . . . 40 ASP N . 17000 1 406 . 1 1 41 41 GLN H H 1 7.978 0.02 . 1 . . . . 41 GLN H . 17000 1 407 . 1 1 41 41 GLN HA H 1 4.020 0.40 . 1 . . . . 41 GLN HA . 17000 1 408 . 1 1 41 41 GLN HG2 H 1 2.469 0.02 . 1 . . . . 41 GLN HG2 . 17000 1 409 . 1 1 41 41 GLN HG3 H 1 2.475 0.02 . 1 . . . . 41 GLN HG3 . 17000 1 410 . 1 1 41 41 GLN C C 13 175.78 0.40 . 1 . . . . 41 GLN C . 17000 1 411 . 1 1 41 41 GLN CA C 13 56.40 0.40 . 1 . . . . 41 GLN CA . 17000 1 412 . 1 1 41 41 GLN CB C 13 28.93 0.40 . 1 . . . . 41 GLN CB . 17000 1 413 . 1 1 41 41 GLN N N 15 119.466 0.40 . 1 . . . . 41 GLN N . 17000 1 414 . 1 1 42 42 GLU H H 1 8.119 0.02 . 1 . . . . 42 GLU H . 17000 1 415 . 1 1 42 42 GLU HA H 1 3.927 0.40 . 1 . . . . 42 GLU HA . 17000 1 416 . 1 1 42 42 GLU HB2 H 1 1.665 0.02 . 1 . . . . 42 GLU HB2 . 17000 1 417 . 1 1 42 42 GLU HB3 H 1 1.712 0.02 . 1 . . . . 42 GLU HB3 . 17000 1 418 . 1 1 42 42 GLU HG2 H 1 2.077 0.02 . 1 . . . . 42 GLU HG2 . 17000 1 419 . 1 1 42 42 GLU HG3 H 1 2.095 0.02 . 1 . . . . 42 GLU HG3 . 17000 1 420 . 1 1 42 42 GLU CA C 13 58.56 0.40 . 1 . . . . 42 GLU CA . 17000 1 421 . 1 1 42 42 GLU CB C 13 29.62 0.40 . 1 . . . . 42 GLU CB . 17000 1 422 . 1 1 42 42 GLU N N 15 120.2 0.40 . 1 . . . . 42 GLU N . 17000 1 423 . 1 1 43 43 TYR H H 1 7.925 0.02 . 1 . . . . 43 TYR H . 17000 1 424 . 1 1 43 43 TYR HA H 1 4.254 0.40 . 1 . . . . 43 TYR HA . 17000 1 425 . 1 1 43 43 TYR HB2 H 1 2.874 0.02 . 1 . . . . 43 TYR HB2 . 17000 1 426 . 1 1 43 43 TYR HB3 H 1 2.776 0.02 . 1 . . . . 43 TYR HB3 . 17000 1 427 . 1 1 43 43 TYR HD1 H 1 6.884 0.02 . 1 . . . . 43 TYR HD1 . 17000 1 428 . 1 1 43 43 TYR HD2 H 1 6.924 0.02 . 1 . . . . 43 TYR HD2 . 17000 1 429 . 1 1 43 43 TYR HE1 H 1 6.621 0.02 . 1 . . . . 43 TYR HE1 . 17000 1 430 . 1 1 43 43 TYR HE2 H 1 6.709 0.02 . 1 . . . . 43 TYR HE2 . 17000 1 431 . 1 1 43 43 TYR C C 13 173.48 0.40 . 1 . . . . 43 TYR C . 17000 1 432 . 1 1 43 43 TYR CA C 13 58.31 0.40 . 1 . . . . 43 TYR CA . 17000 1 433 . 1 1 43 43 TYR CB C 13 38.59 0.40 . 1 . . . . 43 TYR CB . 17000 1 434 . 1 1 43 43 TYR N N 15 120.23 0.40 . 1 . . . . 43 TYR N . 17000 1 435 . 1 1 44 44 GLU H H 1 7.949 0.02 . 1 . . . . 44 GLU H . 17000 1 436 . 1 1 44 44 GLU HA H 1 4.149 0.40 . 1 . . . . 44 GLU HA . 17000 1 437 . 1 1 44 44 GLU C C 13 176.58 0.40 . 1 . . . . 44 GLU C . 17000 1 438 . 1 1 44 44 GLU CA C 13 58.12 0.40 . 1 . . . . 44 GLU CA . 17000 1 439 . 1 1 44 44 GLU CB C 13 29.68 0.40 . 1 . . . . 44 GLU CB . 17000 1 440 . 1 1 44 44 GLU N N 15 122.198 0.40 . 1 . . . . 44 GLU N . 17000 1 441 . 1 1 45 45 ILE H H 1 7.869 0.02 . 1 . . . . 45 ILE H . 17000 1 442 . 1 1 45 45 ILE HA H 1 3.947 0.40 . 1 . . . . 45 ILE HA . 17000 1 443 . 1 1 45 45 ILE HB H 1 1.610 0.02 . 1 . . . . 45 ILE HB . 17000 1 444 . 1 1 45 45 ILE HG21 H 1 0.968 0.02 . 1 . . . . 45 ILE HG2 . 17000 1 445 . 1 1 45 45 ILE HG22 H 1 0.968 0.02 . 1 . . . . 45 ILE HG2 . 17000 1 446 . 1 1 45 45 ILE HG23 H 1 0.968 0.02 . 1 . . . . 45 ILE HG2 . 17000 1 447 . 1 1 45 45 ILE HD11 H 1 0.680 0.02 . 1 . . . . 45 ILE HD . 17000 1 448 . 1 1 45 45 ILE HD12 H 1 0.680 0.02 . 1 . . . . 45 ILE HD . 17000 1 449 . 1 1 45 45 ILE HD13 H 1 0.680 0.02 . 1 . . . . 45 ILE HD . 17000 1 450 . 1 1 45 45 ILE HG12 H 1 1.287 0.02 . 1 . . . . 45 ILE HG12 . 17000 1 451 . 1 1 45 45 ILE HG13 H 1 1.307 0.02 . 1 . . . . 45 ILE HG13 . 17000 1 452 . 1 1 45 45 ILE C C 13 174.28 0.40 . 1 . . . . 45 ILE C . 17000 1 453 . 1 1 45 45 ILE CA C 13 62.06 0.40 . 1 . . . . 45 ILE CA . 17000 1 454 . 1 1 45 45 ILE CB C 13 38.50 0.40 . 1 . . . . 45 ILE CB . 17000 1 455 . 1 1 45 45 ILE N N 15 121.45 0.40 . 1 . . . . 45 ILE N . 17000 1 456 . 1 1 46 46 GLU H H 1 8.191 0.02 . 1 . . . . 46 GLU H . 17000 1 457 . 1 1 46 46 GLU HA H 1 3.937 0.40 . 1 . . . . 46 GLU HA . 17000 1 458 . 1 1 46 46 GLU HB2 H 1 2.029 0.02 . 1 . . . . 46 GLU HB2 . 17000 1 459 . 1 1 46 46 GLU HB3 H 1 2.049 0.02 . 1 . . . . 46 GLU HB3 . 17000 1 460 . 1 1 46 46 GLU C C 13 173.58 0.40 . 1 . . . . 46 GLU C . 17000 1 461 . 1 1 46 46 GLU CA C 13 56.95 0.40 . 1 . . . . 46 GLU CA . 17000 1 462 . 1 1 46 46 GLU CB C 13 29.69 0.40 . 1 . . . . 46 GLU CB . 17000 1 463 . 1 1 46 46 GLU N N 15 123.511 0.40 . 1 . . . . 46 GLU N . 17000 1 464 . 1 1 47 47 LYS H H 1 8.117 0.02 . 1 . . . . 47 LYS H . 17000 1 465 . 1 1 47 47 LYS HA H 1 3.963 0.40 . 1 . . . . 47 LYS HA . 17000 1 466 . 1 1 47 47 LYS HB2 H 1 1.794 0.02 . 1 . . . . 47 LYS HB2 . 17000 1 467 . 1 1 47 47 LYS HB3 H 1 1.762 0.02 . 1 . . . . 47 LYS HB3 . 17000 1 468 . 1 1 47 47 LYS HD2 H 1 1.547 0.02 . 1 . . . . 47 LYS HD2 . 17000 1 469 . 1 1 47 47 LYS HD3 H 1 1.554 0.02 . 1 . . . . 47 LYS HD3 . 17000 1 470 . 1 1 47 47 LYS HG2 H 1 1.378 0.02 . 1 . . . . 47 LYS HG2 . 17000 1 471 . 1 1 47 47 LYS HG3 H 1 1.350 0.02 . 1 . . . . 47 LYS HG3 . 17000 1 472 . 1 1 47 47 LYS C C 13 174.58 0.40 . 1 . . . . 47 LYS C . 17000 1 473 . 1 1 47 47 LYS CA C 13 56.95 0.40 . 1 . . . . 47 LYS CA . 17000 1 474 . 1 1 47 47 LYS CB C 13 32.72 0.40 . 1 . . . . 47 LYS CB . 17000 1 475 . 1 1 47 47 LYS N N 15 121.627 0.40 . 1 . . . . 47 LYS N . 17000 1 476 . 1 1 48 48 THR H H 1 7.896 0.02 . 1 . . . . 48 THR H . 17000 1 477 . 1 1 48 48 THR HA H 1 4.009 0.40 . 1 . . . . 48 THR HA . 17000 1 478 . 1 1 48 48 THR HB H 1 3.465 0.02 . 1 . . . . 48 THR HB . 17000 1 479 . 1 1 48 48 THR HG21 H 1 0.968 0.40 . 1 . . . . 48 THR HG2 . 17000 1 480 . 1 1 48 48 THR HG22 H 1 0.968 0.40 . 1 . . . . 48 THR HG2 . 17000 1 481 . 1 1 48 48 THR HG23 H 1 0.968 0.40 . 1 . . . . 48 THR HG2 . 17000 1 482 . 1 1 48 48 THR C C 13 171.78 0.40 . 1 . . . . 48 THR C . 17000 1 483 . 1 1 48 48 THR CA C 13 62.28 0.40 . 1 . . . . 48 THR CA . 17000 1 484 . 1 1 48 48 THR CB C 13 69.37 0.40 . 1 . . . . 48 THR CB . 17000 1 485 . 1 1 48 48 THR N N 15 113.913 0.40 . 1 . . . . 48 THR N . 17000 1 486 . 1 1 49 49 ASN H H 1 8.203 0.02 . 1 . . . . 49 ASN H . 17000 1 487 . 1 1 49 49 ASN HA H 1 4.389 0.40 . 1 . . . . 49 ASN HA . 17000 1 488 . 1 1 49 49 ASN HB2 H 1 2.529 0.02 . 1 . . . . 49 ASN HB2 . 17000 1 489 . 1 1 49 49 ASN HB3 H 1 2.525 0.02 . 1 . . . . 49 ASN HB3 . 17000 1 490 . 1 1 49 49 ASN C C 13 172.48 0.40 . 1 . . . . 49 ASN C . 17000 1 491 . 1 1 49 49 ASN CA C 13 53.72 0.40 . 1 . . . . 49 ASN CA . 17000 1 492 . 1 1 49 49 ASN CB C 13 38.49 0.40 . 1 . . . . 49 ASN CB . 17000 1 493 . 1 1 49 49 ASN N N 15 120.971 0.40 . 1 . . . . 49 ASN N . 17000 1 494 . 1 1 50 50 ILE H H 1 7.826 0.02 . 1 . . . . 50 ILE H . 17000 1 495 . 1 1 50 50 ILE HA H 1 3.860 0.40 . 1 . . . . 50 ILE HA . 17000 1 496 . 1 1 50 50 ILE HB H 1 1.563 0.02 . 1 . . . . 50 ILE HB . 17000 1 497 . 1 1 50 50 ILE HG21 H 1 0.708 0.02 . 1 . . . . 50 ILE HG2 . 17000 1 498 . 1 1 50 50 ILE HG22 H 1 0.708 0.02 . 1 . . . . 50 ILE HG2 . 17000 1 499 . 1 1 50 50 ILE HG23 H 1 0.708 0.02 . 1 . . . . 50 ILE HG2 . 17000 1 500 . 1 1 50 50 ILE HD11 H 1 0.618 0.02 . 1 . . . . 50 ILE HD . 17000 1 501 . 1 1 50 50 ILE HD12 H 1 0.618 0.02 . 1 . . . . 50 ILE HD . 17000 1 502 . 1 1 50 50 ILE HD13 H 1 0.618 0.02 . 1 . . . . 50 ILE HD . 17000 1 503 . 1 1 50 50 ILE HG12 H 1 1.272 0.02 . 1 . . . . 50 ILE HG12 . 17000 1 504 . 1 1 50 50 ILE HG13 H 1 1.299 0.02 . 1 . . . . 50 ILE HG13 . 17000 1 505 . 1 1 50 50 ILE C C 13 173.68 0.40 . 1 . . . . 50 ILE C . 17000 1 506 . 1 1 50 50 ILE CA C 13 61.32 0.40 . 1 . . . . 50 ILE CA . 17000 1 507 . 1 1 50 50 ILE CB C 13 38.48 0.40 . 1 . . . . 50 ILE CB . 17000 1 508 . 1 1 50 50 ILE N N 15 121.158 0.40 . 1 . . . . 50 ILE N . 17000 1 509 . 1 1 51 51 VAL H H 1 8.072 0.02 . 1 . . . . 51 VAL H . 17000 1 510 . 1 1 51 51 VAL HA H 1 3.862 0.40 . 1 . . . . 51 VAL HA . 17000 1 511 . 1 1 51 51 VAL HB H 1 1.757 0.02 . 1 . . . . 51 VAL HB . 17000 1 512 . 1 1 51 51 VAL HG11 H 1 0.675 0.02 . 1 . . . . 51 VAL HG1 . 17000 1 513 . 1 1 51 51 VAL HG12 H 1 0.675 0.02 . 1 . . . . 51 VAL HG1 . 17000 1 514 . 1 1 51 51 VAL HG13 H 1 0.675 0.02 . 1 . . . . 51 VAL HG1 . 17000 1 515 . 1 1 51 51 VAL HG21 H 1 0.683 0.02 . 1 . . . . 51 VAL HG2 . 17000 1 516 . 1 1 51 51 VAL HG22 H 1 0.683 0.02 . 1 . . . . 51 VAL HG2 . 17000 1 517 . 1 1 51 51 VAL HG23 H 1 0.683 0.02 . 1 . . . . 51 VAL HG2 . 17000 1 518 . 1 1 51 51 VAL C C 13 173.68 0.40 . 1 . . . . 51 VAL C . 17000 1 519 . 1 1 51 51 VAL CA C 13 62.20 0.40 . 1 . . . . 51 VAL CA . 17000 1 520 . 1 1 51 51 VAL CB C 13 32.36 0.40 . 1 . . . . 51 VAL CB . 17000 1 521 . 1 1 51 51 VAL N N 15 124.98 0.40 . 1 . . . . 51 VAL N . 17000 1 522 . 1 1 52 52 ARG H H 1 8.304 0.02 . 1 . . . . 52 ARG H . 17000 1 523 . 1 1 52 52 ARG HA H 1 4.056 0.40 . 1 . . . . 52 ARG HA . 17000 1 524 . 1 1 52 52 ARG HB2 H 1 1.496 0.02 . 1 . . . . 52 ARG HB2 . 17000 1 525 . 1 1 52 52 ARG HB3 H 1 1.507 0.02 . 1 . . . . 52 ARG HB3 . 17000 1 526 . 1 1 52 52 ARG HD2 H 1 2.877 0.02 . 1 . . . . 52 ARG HD2 . 17000 1 527 . 1 1 52 52 ARG HD3 H 1 2.894 0.02 . 1 . . . . 52 ARG HD3 . 17000 1 528 . 1 1 52 52 ARG HG2 H 1 1.344 0.02 . 1 . . . . 52 ARG HG2 . 17000 1 529 . 1 1 52 52 ARG HG3 H 1 1.342 0.02 . 1 . . . . 52 ARG HG3 . 17000 1 530 . 1 1 52 52 ARG C C 13 173.28 0.40 . 1 . . . . 52 ARG C . 17000 1 531 . 1 1 52 52 ARG CA C 13 55.94 0.40 . 1 . . . . 52 ARG CA . 17000 1 532 . 1 1 52 52 ARG CB C 13 31.11 0.40 . 1 . . . . 52 ARG CB . 17000 1 533 . 1 1 52 52 ARG N N 15 125.341 0.40 . 1 . . . . 52 ARG N . 17000 1 534 . 1 1 53 53 ASN H H 1 8.354 0.02 . 1 . . . . 53 ASN H . 17000 1 535 . 1 1 53 53 ASN HA H 1 4.442 0.40 . 1 . . . . 53 ASN HA . 17000 1 536 . 1 1 53 53 ASN HB2 H 1 2.506 0.02 . 1 . . . . 53 ASN HB2 . 17000 1 537 . 1 1 53 53 ASN HB3 H 1 2.561 0.02 . 1 . . . . 53 ASN HB3 . 17000 1 538 . 1 1 53 53 ASN C C 13 172.68 0.40 . 1 . . . . 53 ASN C . 17000 1 539 . 1 1 53 53 ASN CA C 13 53.20 0.40 . 1 . . . . 53 ASN CA . 17000 1 540 . 1 1 53 53 ASN CB C 13 38.81 0.40 . 1 . . . . 53 ASN CB . 17000 1 541 . 1 1 53 53 ASN N N 15 120.282 0.40 . 1 . . . . 53 ASN N . 17000 1 542 . 1 1 54 54 GLU H H 1 8.393 0.02 . 1 . . . . 54 GLU H . 17000 1 543 . 1 1 54 54 GLU HA H 1 4.109 0.40 . 1 . . . . 54 GLU HA . 17000 1 544 . 1 1 54 54 GLU HB2 H 1 1.969 0.02 . 1 . . . . 54 GLU HB2 . 17000 1 545 . 1 1 54 54 GLU HB3 H 1 1.966 0.02 . 1 . . . . 54 GLU HB3 . 17000 1 546 . 1 1 54 54 GLU HG2 H 1 2.543 0.02 . 1 . . . . 54 GLU HG2 . 17000 1 547 . 1 1 54 54 GLU HG3 H 1 2.543 0.02 . 1 . . . . 54 GLU HG3 . 17000 1 548 . 1 1 54 54 GLU C C 13 174.28 0.40 . 1 . . . . 54 GLU C . 17000 1 549 . 1 1 54 54 GLU CA C 13 56.98 0.40 . 1 . . . . 54 GLU CA . 17000 1 550 . 1 1 54 54 GLU CB C 13 29.81 0.40 . 1 . . . . 54 GLU CB . 17000 1 551 . 1 1 54 54 GLU N N 15 121.31 0.40 . 1 . . . . 54 GLU N . 17000 1 552 . 1 1 55 55 THR H H 1 8.062 0.02 . 1 . . . . 55 THR H . 17000 1 553 . 1 1 55 55 THR HA H 1 4.677 0.40 . 1 . . . . 55 THR HA . 17000 1 554 . 1 1 55 55 THR HB H 1 4.078 0.02 . 1 . . . . 55 THR HB . 17000 1 555 . 1 1 55 55 THR HG21 H 1 0.938 0.02 . 1 . . . . 55 THR HG . 17000 1 556 . 1 1 55 55 THR HG22 H 1 0.938 0.02 . 1 . . . . 55 THR HG . 17000 1 557 . 1 1 55 55 THR HG23 H 1 0.938 0.02 . 1 . . . . 55 THR HG . 17000 1 558 . 1 1 55 55 THR C C 13 171.78 0.40 . 1 . . . . 55 THR C . 17000 1 559 . 1 1 55 55 THR CA C 13 62.16 0.40 . 1 . . . . 55 THR CA . 17000 1 560 . 1 1 55 55 THR CB C 13 69.35 0.40 . 1 . . . . 55 THR CB . 17000 1 561 . 1 1 55 55 THR N N 15 114.163 0.40 . 1 . . . . 55 THR N . 17000 1 562 . 1 1 56 56 ASN H H 1 8.243 0.02 . 1 . . . . 56 ASN H . 17000 1 563 . 1 1 56 56 ASN HA H 1 4.428 0.40 . 1 . . . . 56 ASN HA . 17000 1 564 . 1 1 56 56 ASN HB2 H 1 2.536 0.02 . 1 . . . . 56 ASN HB2 . 17000 1 565 . 1 1 56 56 ASN HB3 H 1 2.54 0.02 . 1 . . . . 56 ASN HB3 . 17000 1 566 . 1 1 56 56 ASN C C 13 172.08 0.40 . 1 . . . . 56 ASN C . 17000 1 567 . 1 1 56 56 ASN CA C 13 53.13 0.40 . 1 . . . . 56 ASN CA . 17000 1 568 . 1 1 56 56 ASN CB C 13 38.63 0.40 . 1 . . . . 56 ASN CB . 17000 1 569 . 1 1 56 56 ASN N N 15 120.418 0.40 . 1 . . . . 56 ASN N . 17000 1 570 . 1 1 57 57 ASN H H 1 8.215 0.02 . 1 . . . . 57 ASN H . 17000 1 571 . 1 1 57 57 ASN HA H 1 4.439 0.40 . 1 . . . . 57 ASN HA . 17000 1 572 . 1 1 57 57 ASN HB2 H 1 2.513 0.02 . 1 . . . . 57 ASN HB2 . 17000 1 573 . 1 1 57 57 ASN HB3 H 1 2.515 0.02 . 1 . . . . 57 ASN HB3 . 17000 1 574 . 1 1 57 57 ASN C C 13 172.78 0.40 . 1 . . . . 57 ASN C . 17000 1 575 . 1 1 57 57 ASN CA C 13 53.38 0.40 . 1 . . . . 57 ASN CA . 17000 1 576 . 1 1 57 57 ASN CB C 13 39.26 0.40 . 1 . . . . 57 ASN CB . 17000 1 577 . 1 1 57 57 ASN N N 15 119.165 0.40 . 1 . . . . 57 ASN N . 17000 1 578 . 1 1 58 58 ILE H H 1 7.995 0.02 . 1 . . . . 58 ILE H . 17000 1 579 . 1 1 58 58 ILE HA H 1 3.924 0.40 . 1 . . . . 58 ILE HA . 17000 1 580 . 1 1 58 58 ILE HB H 1 1.616 0.02 . 1 . . . . 58 ILE HB . 17000 1 581 . 1 1 58 58 ILE HD11 H 1 0.642 0.02 . 1 . . . . 58 ILE HD1 . 17000 1 582 . 1 1 58 58 ILE HD12 H 1 0.642 0.02 . 1 . . . . 58 ILE HD1 . 17000 1 583 . 1 1 58 58 ILE HD13 H 1 0.642 0.02 . 1 . . . . 58 ILE HD1 . 17000 1 584 . 1 1 58 58 ILE HG12 H 1 1.264 0.02 . 1 . . . . 58 ILE HG12 . 17000 1 585 . 1 1 58 58 ILE HG13 H 1 1.281 0.02 . 1 . . . . 58 ILE HG13 . 17000 1 586 . 1 1 58 58 ILE HG21 H 1 0.908 0.02 . 1 . . . . 58 ILE HG2 . 17000 1 587 . 1 1 58 58 ILE HG22 H 1 0.908 0.02 . 1 . . . . 58 ILE HG2 . 17000 1 588 . 1 1 58 58 ILE HG23 H 1 0.908 0.02 . 1 . . . . 58 ILE HG2 . 17000 1 589 . 1 1 58 58 ILE C C 13 173.58 0.40 . 1 . . . . 58 ILE C . 17000 1 590 . 1 1 58 58 ILE CA C 13 61.76 0.40 . 1 . . . . 58 ILE CA . 17000 1 591 . 1 1 58 58 ILE CB C 13 38.51 0.40 . 1 . . . . 58 ILE CB . 17000 1 592 . 1 1 58 58 ILE N N 15 120.789 0.40 . 1 . . . . 58 ILE N . 17000 1 593 . 1 1 59 59 ASP H H 1 8.205 0.02 . 1 . . . . 59 ASP H . 17000 1 594 . 1 1 59 59 ASP HA H 1 4.320 0.40 . 1 . . . . 59 ASP HA . 17000 1 595 . 1 1 59 59 ASP HB2 H 1 2.452 0.02 . 1 . . . . 59 ASP HB2 . 17000 1 596 . 1 1 59 59 ASP HB3 H 1 2.457 0.02 . 1 . . . . 59 ASP HB3 . 17000 1 597 . 1 1 59 59 ASP C C 13 174.38 0.40 . 1 . . . . 59 ASP C . 17000 1 598 . 1 1 59 59 ASP CA C 13 54.22 0.40 . 1 . . . . 59 ASP CA . 17000 1 599 . 1 1 59 59 ASP CB C 13 41.15 0.40 . 1 . . . . 59 ASP CB . 17000 1 600 . 1 1 59 59 ASP N N 15 123.127 0.40 . 1 . . . . 59 ASP N . 17000 1 601 . 1 1 60 60 GLY H H 1 8.117 0.02 . 1 . . . . 60 GLY H . 17000 1 602 . 1 1 60 60 GLY HA2 H 1 3.655 0.40 . 1 . . . . 60 GLY HA2 . 17000 1 603 . 1 1 60 60 GLY HA3 H 1 3.655 0.40 . 1 . . . . 60 GLY HA3 . 17000 1 604 . 1 1 60 60 GLY C C 13 171.58 0.40 . 1 . . . . 60 GLY C . 17000 1 605 . 1 1 60 60 GLY CA C 13 45.59 0.40 . 1 . . . . 60 GLY CA . 17000 1 606 . 1 1 60 60 GLY N N 15 109.156 0.40 . 1 . . . . 60 GLY N . 17000 1 607 . 1 1 61 61 ASN H H 1 8.12 0.02 . 1 . . . . 61 ASN H . 17000 1 608 . 1 1 61 61 ASN HA H 1 4.363 0.40 . 1 . . . . 61 ASN HA . 17000 1 609 . 1 1 61 61 ASN HB2 H 1 2.466 0.02 . 1 . . . . 61 ASN HB2 . 17000 1 610 . 1 1 61 61 ASN HB3 H 1 2.472 0.02 . 1 . . . . 61 ASN HB3 . 17000 1 611 . 1 1 61 61 ASN C C 13 172.68 0.40 . 1 . . . . 61 ASN C . 17000 1 612 . 1 1 61 61 ASN CA C 13 53.07 0.40 . 1 . . . . 61 ASN CA . 17000 1 613 . 1 1 61 61 ASN CB C 13 38.55 0.40 . 1 . . . . 61 ASN CB . 17000 1 614 . 1 1 61 61 ASN N N 15 118.306 0.40 . 1 . . . . 61 ASN N . 17000 1 615 . 1 1 62 62 PHE H H 1 7.973 0.02 . 1 . . . . 62 PHE H . 17000 1 616 . 1 1 62 62 PHE HA H 1 4.427 0.40 . 1 . . . . 62 PHE HA . 17000 1 617 . 1 1 62 62 PHE HB2 H 1 2.841 0.02 . 1 . . . . 62 PHE HB2 . 17000 1 618 . 1 1 62 62 PHE HB3 H 1 2.837 0.02 . 1 . . . . 62 PHE HB3 . 17000 1 619 . 1 1 62 62 PHE HD2 H 1 6.627 0.02 . 1 . . . . 62 PHE HD2 . 17000 1 620 . 1 1 62 62 PHE C C 13 173.38 0.40 . 1 . . . . 62 PHE C . 17000 1 621 . 1 1 62 62 PHE CA C 13 58.47 0.40 . 1 . . . . 62 PHE CA . 17000 1 622 . 1 1 62 62 PHE CB C 13 38.46 0.40 . 1 . . . . 62 PHE CB . 17000 1 623 . 1 1 62 62 PHE N N 15 120.311 0.40 . 1 . . . . 62 PHE N . 17000 1 624 . 1 1 63 63 LYS H H 1 7.997 0.02 . 1 . . . . 63 LYS H . 17000 1 625 . 1 1 63 63 LYS HA H 1 3.970 0.40 . 1 . . . . 63 LYS HA . 17000 1 626 . 1 1 63 63 LYS HB2 H 1 1.686 0.02 . 1 . . . . 63 LYS HB2 . 17000 1 627 . 1 1 63 63 LYS HB3 H 1 1.690 0.02 . 1 . . . . 63 LYS HB3 . 17000 1 628 . 1 1 63 63 LYS HD2 H 1 1.456 0.02 . 1 . . . . 63 LYS HD2 . 17000 1 629 . 1 1 63 63 LYS HD3 H 1 1.456 0.02 . 1 . . . . 63 LYS HD3 . 17000 1 630 . 1 1 63 63 LYS HG2 H 1 1.106 0.02 . 1 . . . . 63 LYS HG2 . 17000 1 631 . 1 1 63 63 LYS HG3 H 1 1.109 0.02 . 1 . . . . 63 LYS HG3 . 17000 1 632 . 1 1 63 63 LYS C C 13 173.98 0.40 . 1 . . . . 63 LYS C . 17000 1 633 . 1 1 63 63 LYS CA C 13 56.28 0.40 . 1 . . . . 63 LYS CA . 17000 1 634 . 1 1 63 63 LYS CB C 13 32.75 0.40 . 1 . . . . 63 LYS CB . 17000 1 635 . 1 1 63 63 LYS N N 15 122.324 0.40 . 1 . . . . 63 LYS N . 17000 1 636 . 1 1 64 64 SER H H 1 8.035 0.02 . 1 . . . . 64 SER H . 17000 1 637 . 1 1 64 64 SER HA H 1 4.076 0.40 . 1 . . . . 64 SER HA . 17000 1 638 . 1 1 64 64 SER HB2 H 1 3.633 0.02 . 1 . . . . 64 SER HB2 . 17000 1 639 . 1 1 64 64 SER HB3 H 1 3.637 0.02 . 1 . . . . 64 SER HB3 . 17000 1 640 . 1 1 64 64 SER C C 13 172.18 0.40 . 1 . . . . 64 SER C . 17000 1 641 . 1 1 64 64 SER CA C 13 58.60 0.40 . 1 . . . . 64 SER CA . 17000 1 642 . 1 1 64 64 SER CB C 13 63.45 0.40 . 1 . . . . 64 SER CB . 17000 1 643 . 1 1 64 64 SER N N 15 116.346 0.40 . 1 . . . . 64 SER N . 17000 1 644 . 1 1 65 65 LYS H H 1 8.171 0.02 . 1 . . . . 65 LYS H . 17000 1 645 . 1 1 65 65 LYS HA H 1 4.068 0.40 . 1 . . . . 65 LYS HA . 17000 1 646 . 1 1 65 65 LYS HD2 H 1 1.600 0.02 . 1 . . . . 65 LYS HD2 . 17000 1 647 . 1 1 65 65 LYS HD3 H 1 1.597 0.02 . 1 . . . . 65 LYS HD3 . 17000 1 648 . 1 1 65 65 LYS HG2 H 1 1.239 0.02 . 1 . . . . 65 LYS HG2 . 17000 1 649 . 1 1 65 65 LYS HG3 H 1 1.235 0.02 . 1 . . . . 65 LYS HG3 . 17000 1 650 . 1 1 65 65 LYS C C 13 173.88 0.40 . 1 . . . . 65 LYS C . 17000 1 651 . 1 1 65 65 LYS CA C 13 56.34 0.40 . 1 . . . . 65 LYS CA . 17000 1 652 . 1 1 65 65 LYS CB C 13 32.78 0.40 . 1 . . . . 65 LYS CB . 17000 1 653 . 1 1 65 65 LYS N N 15 123.074 0.40 . 1 . . . . 65 LYS N . 17000 1 654 . 1 1 66 66 LEU H H 1 7.934 0.02 . 1 . . . . 66 LEU H . 17000 1 655 . 1 1 66 66 LEU HA H 1 4.087 0.40 . 1 . . . . 66 LEU HA . 17000 1 656 . 1 1 66 66 LEU HD11 H 1 0.660 0.02 . 1 . . . . 66 LEU HD1 . 17000 1 657 . 1 1 66 66 LEU HD12 H 1 0.660 0.02 . 1 . . . . 66 LEU HD1 . 17000 1 658 . 1 1 66 66 LEU HD13 H 1 0.660 0.02 . 1 . . . . 66 LEU HD1 . 17000 1 659 . 1 1 66 66 LEU HD21 H 1 0.665 0.02 . 1 . . . . 66 LEU HD2 . 17000 1 660 . 1 1 66 66 LEU HD22 H 1 0.665 0.02 . 1 . . . . 66 LEU HD2 . 17000 1 661 . 1 1 66 66 LEU HD23 H 1 0.665 0.02 . 1 . . . . 66 LEU HD2 . 17000 1 662 . 1 1 66 66 LEU HG H 1 1.274 0.40 . 1 . . . . 66 LEU HG . 17000 1 663 . 1 1 66 66 LEU C C 13 174.58 0.40 . 1 . . . . 66 LEU C . 17000 1 664 . 1 1 66 66 LEU CA C 13 55.13 0.40 . 1 . . . . 66 LEU CA . 17000 1 665 . 1 1 66 66 LEU CB C 13 42.31 0.40 . 1 . . . . 66 LEU CB . 17000 1 666 . 1 1 66 66 LEU N N 15 122.486 0.40 . 1 . . . . 66 LEU N . 17000 1 667 . 1 1 67 67 LYS H H 1 8.108 0.02 . 1 . . . . 67 LYS H . 17000 1 668 . 1 1 67 67 LYS HA H 1 4.059 0.40 . 1 . . . . 67 LYS HA . 17000 1 669 . 1 1 67 67 LYS HB2 H 1 1.797 0.02 . 1 . . . . 67 LYS HB2 . 17000 1 670 . 1 1 67 67 LYS HB3 H 1 1.790 0.02 . 1 . . . . 67 LYS HB3 . 17000 1 671 . 1 1 67 67 LYS HD2 H 1 1.447 0.02 . 1 . . . . 67 LYS HD2 . 17000 1 672 . 1 1 67 67 LYS HD3 H 1 1.461 0.02 . 1 . . . . 67 LYS HD3 . 17000 1 673 . 1 1 67 67 LYS HG2 H 1 1.131 0.02 . 1 . . . . 67 LYS HG2 . 17000 1 674 . 1 1 67 67 LYS HG3 H 1 1.134 0.02 . 1 . . . . 67 LYS HG3 . 17000 1 675 . 1 1 67 67 LYS C C 13 173.58 0.40 . 1 . . . . 67 LYS C . 17000 1 676 . 1 1 67 67 LYS CA C 13 55.68 0.40 . 1 . . . . 67 LYS CA . 17000 1 677 . 1 1 67 67 LYS CB C 13 32.90 0.40 . 1 . . . . 67 LYS CB . 17000 1 678 . 1 1 67 67 LYS N N 15 122.822 0.40 . 1 . . . . 67 LYS N . 17000 1 679 . 1 1 68 68 LYS H H 1 8.229 0.20 . 1 . . . . 68 LYS H . 17000 1 680 . 1 1 68 68 LYS HA H 1 4.029 0.40 . 1 . . . . 68 LYS HA . 17000 1 681 . 1 1 68 68 LYS HE2 H 1 2.699 0.02 . 1 . . . . 68 LYS HE2 . 17000 1 682 . 1 1 68 68 LYS HE3 H 1 2.697 0.02 . 1 . . . . 68 LYS HE3 . 17000 1 683 . 1 1 68 68 LYS HG2 H 1 1.245 0.02 . 1 . . . . 68 LYS HG2 . 17000 1 684 . 1 1 68 68 LYS HG3 H 1 1.253 0.02 . 1 . . . . 68 LYS HG3 . 17000 1 685 . 1 1 68 68 LYS C C 13 172.58 0.40 . 1 . . . . 68 LYS C . 17000 1 686 . 1 1 68 68 LYS CA C 13 56.12 0.40 . 1 . . . . 68 LYS CA . 17000 1 687 . 1 1 68 68 LYS CB C 13 32.93 0.40 . 1 . . . . 68 LYS CB . 17000 1 688 . 1 1 68 68 LYS N N 15 124.155 0.40 . 1 . . . . 68 LYS N . 17000 1 689 . 1 1 69 69 ALA H H 1 7.885 0.02 . 1 . . . . 69 ALA H . 17000 1 690 . 1 1 69 69 ALA HA H 1 4.024 0.40 . 1 . . . . 69 ALA HA . 17000 1 691 . 1 1 69 69 ALA HB1 H 1 1.109 0.02 . 1 . . . . 69 ALA HB . 17000 1 692 . 1 1 69 69 ALA HB2 H 1 1.109 0.02 . 1 . . . . 69 ALA HB . 17000 1 693 . 1 1 69 69 ALA HB3 H 1 1.109 0.02 . 1 . . . . 69 ALA HB . 17000 1 694 . 1 1 69 69 ALA C C 13 179.98 0.40 . 1 . . . . 69 ALA C . 17000 1 695 . 1 1 69 69 ALA CA C 13 53.74 0.40 . 1 . . . . 69 ALA CA . 17000 1 696 . 1 1 69 69 ALA CB C 13 20.04 0.40 . 1 . . . . 69 ALA CB . 17000 1 697 . 1 1 69 69 ALA N N 15 131.354 0.40 . 1 . . . . 69 ALA N . 17000 1 stop_ save_