data_15940 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15940 _Entry.Title ; Association of subunit d (Vma6p) and E (Vma4p) with G (Vma10p) and the NMR solution structure of subunit G (G1-59) of the Saccharomyces cerevisiae V1VO ATPase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-04 _Entry.Accession_date 2008-09-04 _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 Rishikesan Sankaranarayanan N. . . 15940 2 Shovanlal Gayen . . . 15940 3 'Youg raj' Thaker . . . 15940 4 Vivekanandan Subramanian . . . 15940 5 Malathy Manimekalai . S.S. . 15940 6 Gerhard Gruber . . . 15940 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'school of biological sciences, nanyang technological university' . 15940 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15940 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 237 15940 '15N chemical shifts' 55 15940 '1H chemical shifts' 390 15940 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 3 . . 2010-05-27 2008-09-04 update BMRB 'update entity/assembly name' 15940 2 . . 2009-04-27 2008-09-04 update BMRB 'complete entry citation' 15940 1 . . 2009-03-20 2008-09-04 original author 'original release' 15940 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15940 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19344662 _Citation.Full_citation . _Citation.Title 'Assembly of subunit d (Vma6p) and G (Vma10p) and the NMR solution structure of subunit G (G(1-59)) of the Saccharomyces cerevisiae V(1)V(O) ATPase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys Acta.' _Citation.Journal_name_full . _Citation.Journal_volume 1787 _Citation.Journal_issue 4 _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 242 _Citation.Page_last 251 _Citation.Year 2009 _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 N. . . 15940 1 2 Shovanlal Gayen . . . 15940 1 3 'Youg raj' Thaker . . . 15940 1 4 Subramanian Vivekanandan . . . 15940 1 5 Malathy Manimekalai . S.S. . 15940 1 6 Yin Yau . H. . 15940 1 7 Susana Shochata . G. . 15940 1 8 Gerhard Gruber . . . 15940 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'subunit d' 15940 1 'subunit E' 15940 1 'subunit G' 15940 1 'V1 ATPase' 15940 1 'V1Vo ATPase' 15940 1 'Vacuolar-type ATPase' 15940 1 Vma10p 15940 1 Vma6p 15940 1 Vma7p 15940 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15940 _Assembly.ID 1 _Assembly.Name 'Saccharomyces cerevisiae V(1)V(O) 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 'subunit G' 1 $entity A . yes native no no . . . 15940 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15940 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'subunit G' _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 ; MVSQKNGIATLLQAEKEAHE IVSKARKYRQDKLKQAKTDA AKEIDSYKIQKDKELKEFEC ; _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 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'G(1-59)subunit of V1Vo ATPase' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6969.088 _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 PDB 2K88 . "Association Of Subunit D (Vma6p) And E (Vma4p) With G (Vma10p) And The Nmr Solution Structure Of Subunit G (G1- 59) Of The Sacc" . . . . . 100.00 60 100.00 100.00 1.61e-32 . . . . 15940 1 2 no PDB 3J9T . "Yeast V-atpase State 1" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 3 no PDB 3J9U . "Yeast V-atpase State 2" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 4 no PDB 3J9V . "Yeast V-atpase State 3" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 5 no PDB 4DL0 . "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase" . . . . . 96.67 119 98.28 100.00 2.13e-29 . . . . 15940 1 6 no PDB 4EFA . "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase - Second Conformation" . . . . . 96.67 119 98.28 100.00 2.13e-29 . . . . 15940 1 7 no DBJ GAA23755 . "K7_Vma10p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 8 no EMBL CAY80326 . "Vma10p [Saccharomyces cerevisiae EC1118]" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 9 no GB AAA74570 . "Vma10p [Saccharomyces cerevisiae]" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 10 no GB AAB68921 . "Vma10p: 13 kDa vacuolar H-ATPase subunit [Saccharomyces cerevisiae]" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 11 no GB AHY77737 . "Vma10p [Saccharomyces cerevisiae YJM993]" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 12 no GB AJP39136 . "Vma10p [Saccharomyces cerevisiae YJM1078]" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 13 no GB AJU16333 . "Vma10p [Saccharomyces cerevisiae YJM1356]" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 14 no REF NP_011905 . "H(+)-transporting V1 sector ATPase subunit G [Saccharomyces cerevisiae S288c]" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 15 no SP P48836 . "RecName: Full=V-type proton ATPase subunit G; Short=V-ATPase subunit G; AltName: Full=V-ATPase 13 kDa subunit; AltName: Full=Va" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 1 16 no TPG DAA06731 . "TPA: H(+)-transporting V1 sector ATPase subunit G [Saccharomyces cerevisiae S288c]" . . . . . 96.67 114 98.28 100.00 2.47e-29 . . . . 15940 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 . 15940 1 2 . VAL . 15940 1 3 . SER . 15940 1 4 . GLN . 15940 1 5 . LYS . 15940 1 6 . ASN . 15940 1 7 . GLY . 15940 1 8 . ILE . 15940 1 9 . ALA . 15940 1 10 . THR . 15940 1 11 . LEU . 15940 1 12 . LEU . 15940 1 13 . GLN . 15940 1 14 . ALA . 15940 1 15 . GLU . 15940 1 16 . LYS . 15940 1 17 . GLU . 15940 1 18 . ALA . 15940 1 19 . HIS . 15940 1 20 . GLU . 15940 1 21 . ILE . 15940 1 22 . VAL . 15940 1 23 . SER . 15940 1 24 . LYS . 15940 1 25 . ALA . 15940 1 26 . ARG . 15940 1 27 . LYS . 15940 1 28 . TYR . 15940 1 29 . ARG . 15940 1 30 . GLN . 15940 1 31 . ASP . 15940 1 32 . LYS . 15940 1 33 . LEU . 15940 1 34 . LYS . 15940 1 35 . GLN . 15940 1 36 . ALA . 15940 1 37 . LYS . 15940 1 38 . THR . 15940 1 39 . ASP . 15940 1 40 . ALA . 15940 1 41 . ALA . 15940 1 42 . LYS . 15940 1 43 . GLU . 15940 1 44 . ILE . 15940 1 45 . ASP . 15940 1 46 . SER . 15940 1 47 . TYR . 15940 1 48 . LYS . 15940 1 49 . ILE . 15940 1 50 . GLN . 15940 1 51 . LYS . 15940 1 52 . ASP . 15940 1 53 . LYS . 15940 1 54 . GLU . 15940 1 55 . LEU . 15940 1 56 . LYS . 15940 1 57 . GLU . 15940 1 58 . PHE . 15940 1 59 . GLU . 15940 1 60 . CYS . 15940 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 15940 1 . VAL 2 2 15940 1 . SER 3 3 15940 1 . GLN 4 4 15940 1 . LYS 5 5 15940 1 . ASN 6 6 15940 1 . GLY 7 7 15940 1 . ILE 8 8 15940 1 . ALA 9 9 15940 1 . THR 10 10 15940 1 . LEU 11 11 15940 1 . LEU 12 12 15940 1 . GLN 13 13 15940 1 . ALA 14 14 15940 1 . GLU 15 15 15940 1 . LYS 16 16 15940 1 . GLU 17 17 15940 1 . ALA 18 18 15940 1 . HIS 19 19 15940 1 . GLU 20 20 15940 1 . ILE 21 21 15940 1 . VAL 22 22 15940 1 . SER 23 23 15940 1 . LYS 24 24 15940 1 . ALA 25 25 15940 1 . ARG 26 26 15940 1 . LYS 27 27 15940 1 . TYR 28 28 15940 1 . ARG 29 29 15940 1 . GLN 30 30 15940 1 . ASP 31 31 15940 1 . LYS 32 32 15940 1 . LEU 33 33 15940 1 . LYS 34 34 15940 1 . GLN 35 35 15940 1 . ALA 36 36 15940 1 . LYS 37 37 15940 1 . THR 38 38 15940 1 . ASP 39 39 15940 1 . ALA 40 40 15940 1 . ALA 41 41 15940 1 . LYS 42 42 15940 1 . GLU 43 43 15940 1 . ILE 44 44 15940 1 . ASP 45 45 15940 1 . SER 46 46 15940 1 . TYR 47 47 15940 1 . LYS 48 48 15940 1 . ILE 49 49 15940 1 . GLN 50 50 15940 1 . LYS 51 51 15940 1 . ASP 52 52 15940 1 . LYS 53 53 15940 1 . GLU 54 54 15940 1 . LEU 55 55 15940 1 . LYS 56 56 15940 1 . GLU 57 57 15940 1 . PHE 58 58 15940 1 . GLU 59 59 15940 1 . CYS 60 60 15940 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 15940 _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 $entity . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 15940 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 15940 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . . . . . . . . . . . pET9d . . . . . . 15940 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15940 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM sample in 25 mM phosphate buffer, pH 6.8, U-13C; U-15N' _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 entity '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 15940 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM 0.3 . . . 15940 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 15940 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25 mM sodium phosphate buffer, pH 6.8, 288K' 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' 25 . mM 15940 1 pH 6.8 . pH 15940 1 pressure 1 . atm 15940 1 temperature 288 . K 15940 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15940 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 15940 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 15940 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15940 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15940 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acuisition and processing' 15940 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15940 _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 . . 15940 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15940 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15940 _Software.ID 4 _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' . . 15940 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'viewing the final structure' 15940 4 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 15940 _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 15940 _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 . . . 15940 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 15940 _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 . . . . . . . . . . . . . . . . 15940 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15940 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15940 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15940 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15940 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15940 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15940 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15940 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15940 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 15940 _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 . indirect 0.251449530 . . . . . . . . . 15940 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15940 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15940 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 15940 _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' . . . 15940 1 4 '3D HNCACB' . . . 15940 1 6 '3D H(CCO)NH' . . . 15940 1 7 '3D C(CO)NH' . . . 15940 1 8 '3D 1H-15N NOESY' . . . 15940 1 9 '3D 1H-13C NOESY' . . . 15940 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 8.514 0.020 . 1 . . . . 1 MET H . 15940 1 2 . 1 1 1 1 MET HA H 1 4.292 0.400 . 1 . . . . 1 MET HA . 15940 1 3 . 1 1 1 1 MET HB2 H 1 1.839 0.020 . 2 . . . . 1 MET HB2 . 15940 1 4 . 1 1 1 1 MET HB3 H 1 1.839 0.020 . 2 . . . . 1 MET HB3 . 15940 1 5 . 1 1 1 1 MET HG2 H 1 2.384 0.020 . 2 . . . . 1 MET HG2 . 15940 1 6 . 1 1 1 1 MET HG3 H 1 2.384 0.020 . 2 . . . . 1 MET HG3 . 15940 1 7 . 1 1 1 1 MET C C 13 176.25 0.400 . 1 . . . . 1 MET C . 15940 1 8 . 1 1 1 1 MET CA C 13 55.404 0.400 . 1 . . . . 1 MET CA . 15940 1 9 . 1 1 1 1 MET CB C 13 32.698 0.400 . 1 . . . . 1 MET CB . 15940 1 10 . 1 1 1 1 MET CG C 13 32.000 0.400 . 1 . . . . 1 MET CG . 15940 1 11 . 1 1 1 1 MET N N 15 121.20 0.400 . 1 . . . . 1 MET N . 15940 1 12 . 1 1 2 2 VAL H H 1 8.075 0.020 . 1 . . . . 2 VAL H . 15940 1 13 . 1 1 2 2 VAL HA H 1 3.959 0.400 . 1 . . . . 2 VAL HA . 15940 1 14 . 1 1 2 2 VAL HG11 H 1 0.723 0.020 . 2 . . . . 2 VAL MG1 . 15940 1 15 . 1 1 2 2 VAL HG12 H 1 0.723 0.020 . 2 . . . . 2 VAL MG1 . 15940 1 16 . 1 1 2 2 VAL HG13 H 1 0.723 0.020 . 2 . . . . 2 VAL MG1 . 15940 1 17 . 1 1 2 2 VAL HG21 H 1 0.709 0.020 . 2 . . . . 2 VAL MG2 . 15940 1 18 . 1 1 2 2 VAL HG22 H 1 0.709 0.020 . 2 . . . . 2 VAL MG2 . 15940 1 19 . 1 1 2 2 VAL HG23 H 1 0.709 0.020 . 2 . . . . 2 VAL MG2 . 15940 1 20 . 1 1 2 2 VAL C C 13 176.01 0.400 . 1 . . . . 2 VAL C . 15940 1 21 . 1 1 2 2 VAL CA C 13 62.19 0.400 . 1 . . . . 2 VAL CA . 15940 1 22 . 1 1 2 2 VAL CB C 13 32.26 0.400 . 1 . . . . 2 VAL CB . 15940 1 23 . 1 1 2 2 VAL CG1 C 13 20.64 0.400 . 2 . . . . 2 VAL CG1 . 15940 1 24 . 1 1 2 2 VAL CG2 C 13 26.24 0.400 . 2 . . . . 2 VAL CG2 . 15940 1 25 . 1 1 2 2 VAL N N 15 121.9 0.400 . 1 . . . . 2 VAL N . 15940 1 26 . 1 1 3 3 SER H H 1 8.287 0.020 . 1 . . . . 3 SER H . 15940 1 27 . 1 1 3 3 SER HA H 1 4.243 0.400 . 1 . . . . 3 SER HA . 15940 1 28 . 1 1 3 3 SER HB2 H 1 3.644 0.020 . 2 . . . . 3 SER HB2 . 15940 1 29 . 1 1 3 3 SER HB3 H 1 3.644 0.020 . 2 . . . . 3 SER HB3 . 15940 1 30 . 1 1 3 3 SER C C 13 174.47 0.400 . 1 . . . . 3 SER C . 15940 1 31 . 1 1 3 3 SER CA C 13 58.33 0.400 . 1 . . . . 3 SER CA . 15940 1 32 . 1 1 3 3 SER CB C 13 63.69 0.400 . 1 . . . . 3 SER CB . 15940 1 33 . 1 1 3 3 SER N N 15 119.60 0.400 . 1 . . . . 3 SER N . 15940 1 34 . 1 1 4 4 GLN H H 1 8.343 0.020 . 1 . . . . 4 GLN H . 15940 1 35 . 1 1 4 4 GLN HA H 1 4.171 0.400 . 1 . . . . 4 GLN HA . 15940 1 36 . 1 1 4 4 GLN HB2 H 1 1.816 0.020 . 2 . . . . 4 GLN HB2 . 15940 1 37 . 1 1 4 4 GLN HB3 H 1 1.816 0.020 . 2 . . . . 4 GLN HB3 . 15940 1 38 . 1 1 4 4 GLN HG2 H 1 2.161 0.020 . 2 . . . . 4 GLN HG2 . 15940 1 39 . 1 1 4 4 GLN HG3 H 1 2.161 0.020 . 2 . . . . 4 GLN HG3 . 15940 1 40 . 1 1 4 4 GLN C C 13 176.01 0.400 . 1 . . . . 4 GLN C . 15940 1 41 . 1 1 4 4 GLN CA C 13 55.72 0.400 . 1 . . . . 4 GLN CA . 15940 1 42 . 1 1 4 4 GLN CB C 13 29.35 0.400 . 1 . . . . 4 GLN CB . 15940 1 43 . 1 1 4 4 GLN CG C 13 33.65 0.400 . 1 . . . . 4 GLN CG . 15940 1 44 . 1 1 4 4 GLN N N 15 122.80 0.400 . 1 . . . . 4 GLN N . 15940 1 45 . 1 1 5 5 LYS H H 1 8.260 0.020 . 1 . . . . 5 LYS H . 15940 1 46 . 1 1 5 5 LYS HA H 1 4.076 0.400 . 1 . . . . 5 LYS HA . 15940 1 47 . 1 1 5 5 LYS HB2 H 1 1.600 0.020 . 2 . . . . 5 LYS HB2 . 15940 1 48 . 1 1 5 5 LYS HB3 H 1 1.600 0.020 . 2 . . . . 5 LYS HB3 . 15940 1 49 . 1 1 5 5 LYS HD2 H 1 1.506 0.020 . 2 . . . . 5 LYS HD2 . 15940 1 50 . 1 1 5 5 LYS HD3 H 1 1.506 0.020 . 2 . . . . 5 LYS HD3 . 15940 1 51 . 1 1 5 5 LYS HE2 H 1 2.775 0.020 . 2 . . . . 5 LYS HE2 . 15940 1 52 . 1 1 5 5 LYS HE3 H 1 2.775 0.020 . 2 . . . . 5 LYS HE3 . 15940 1 53 . 1 1 5 5 LYS HG2 H 1 1.207 0.020 . 2 . . . . 5 LYS HG2 . 15940 1 54 . 1 1 5 5 LYS HG3 H 1 1.207 0.020 . 2 . . . . 5 LYS HG3 . 15940 1 55 . 1 1 5 5 LYS C C 13 176.42 0.400 . 1 . . . . 5 LYS C . 15940 1 56 . 1 1 5 5 LYS CA C 13 56.63 0.400 . 1 . . . . 5 LYS CA . 15940 1 57 . 1 1 5 5 LYS CB C 13 32.78 0.400 . 1 . . . . 5 LYS CB . 15940 1 58 . 1 1 5 5 LYS CD C 13 29.09 0.400 . 1 . . . . 5 LYS CD . 15940 1 59 . 1 1 5 5 LYS CE C 13 41.97 0.400 . 1 . . . . 5 LYS CE . 15940 1 60 . 1 1 5 5 LYS CG C 13 24.69 0.400 . 1 . . . . 5 LYS CG . 15940 1 61 . 1 1 5 5 LYS N N 15 122.50 0.400 . 1 . . . . 5 LYS N . 15940 1 62 . 1 1 6 6 ASN H H 1 8.338 0.020 . 1 . . . . 6 ASN H . 15940 1 63 . 1 1 6 6 ASN HA H 1 4.496 0.400 . 1 . . . . 6 ASN HA . 15940 1 64 . 1 1 6 6 ASN HB2 H 1 2.608 0.020 . 2 . . . . 6 ASN HB2 . 15940 1 65 . 1 1 6 6 ASN HB3 H 1 2.608 0.020 . 2 . . . . 6 ASN HB3 . 15940 1 66 . 1 1 6 6 ASN C C 13 175.64 0.400 . 1 . . . . 6 ASN C . 15940 1 67 . 1 1 6 6 ASN CA C 13 53.30 0.400 . 1 . . . . 6 ASN CA . 15940 1 68 . 1 1 6 6 ASN CB C 13 38.71 0.400 . 1 . . . . 6 ASN CB . 15940 1 69 . 1 1 6 6 ASN N N 15 119.50 0.400 . 1 . . . . 6 ASN N . 15940 1 70 . 1 1 7 7 GLY H H 1 8.220 0.020 . 1 . . . . 7 GLY H . 15940 1 71 . 1 1 7 7 GLY HA2 H 1 3.735 0.400 . 2 . . . . 7 GLY HA2 . 15940 1 72 . 1 1 7 7 GLY HA3 H 1 3.735 0.400 . 2 . . . . 7 GLY HA3 . 15940 1 73 . 1 1 7 7 GLY C C 13 174.14 0.400 . 1 . . . . 7 GLY C . 15940 1 74 . 1 1 7 7 GLY CA C 13 45.51 0.400 . 1 . . . . 7 GLY CA . 15940 1 75 . 1 1 7 7 GLY N N 15 109.00 0.400 . 1 . . . . 7 GLY N . 15940 1 76 . 1 1 8 8 ILE H H 1 7.828 0.020 . 1 . . . . 8 ILE H . 15940 1 77 . 1 1 8 8 ILE HA H 1 3.934 0.400 . 1 . . . . 8 ILE HA . 15940 1 78 . 1 1 8 8 ILE HB H 1 1.684 0.020 . 1 . . . . 8 ILE HB . 15940 1 79 . 1 1 8 8 ILE HD11 H 1 0.702 0.020 . 1 . . . . 8 ILE MD . 15940 1 80 . 1 1 8 8 ILE HD12 H 1 0.702 0.020 . 1 . . . . 8 ILE MD . 15940 1 81 . 1 1 8 8 ILE HD13 H 1 0.702 0.020 . 1 . . . . 8 ILE MD . 15940 1 82 . 1 1 8 8 ILE HG12 H 1 1.254 0.020 . 2 . . . . 8 ILE HG12 . 15940 1 83 . 1 1 8 8 ILE HG13 H 1 0.983 0.020 . 2 . . . . 8 ILE HG13 . 15940 1 84 . 1 1 8 8 ILE C C 13 176.27 0.400 . 1 . . . . 8 ILE C . 15940 1 85 . 1 1 8 8 ILE CA C 13 61.34 0.400 . 1 . . . . 8 ILE CA . 15940 1 86 . 1 1 8 8 ILE CB C 13 38.41 0.400 . 1 . . . . 8 ILE CB . 15940 1 87 . 1 1 8 8 ILE CD1 C 13 12.92 0.400 . 1 . . . . 8 ILE CD1 . 15940 1 88 . 1 1 8 8 ILE CG1 C 13 28.03 0.400 . 1 . . . . 8 ILE CG1 . 15940 1 89 . 1 1 8 8 ILE CG2 C 13 17.66 0.400 . 1 . . . . 8 ILE CG2 . 15940 1 90 . 1 1 8 8 ILE N N 15 120.30 0.400 . 1 . . . . 8 ILE N . 15940 1 91 . 1 1 9 9 ALA H H 1 8.268 0.020 . 1 . . . . 9 ALA H . 15940 1 92 . 1 1 9 9 ALA HA H 1 3.934 0.020 . 1 . . . . 9 ALA HA . 15940 1 93 . 1 1 9 9 ALA HB1 H 1 1.209 0.020 . 1 . . . . 9 ALA MB . 15940 1 94 . 1 1 9 9 ALA HB2 H 1 1.209 0.020 . 1 . . . . 9 ALA MB . 15940 1 95 . 1 1 9 9 ALA HB3 H 1 1.209 0.020 . 1 . . . . 9 ALA MB . 15940 1 96 . 1 1 9 9 ALA C C 13 178.40 0.400 . 1 . . . . 9 ALA C . 15940 1 97 . 1 1 9 9 ALA CA C 13 53.17 0.400 . 1 . . . . 9 ALA CA . 15940 1 98 . 1 1 9 9 ALA CB C 13 18.81 0.400 . 1 . . . . 9 ALA CB . 15940 1 99 . 1 1 9 9 ALA N N 15 127.40 0.400 . 1 . . . . 9 ALA N . 15940 1 100 . 1 1 10 10 THR H H 1 7.922 0.020 . 1 . . . . 10 THR H . 15940 1 101 . 1 1 10 10 THR HA H 1 4.173 0.400 . 1 . . . . 10 THR HA . 15940 1 102 . 1 1 10 10 THR HB H 1 4.020 0.020 . 1 . . . . 10 THR HB . 15940 1 103 . 1 1 10 10 THR HG1 H 1 4.842 0.020 . 1 . . . . 10 THR HG1 . 15940 1 104 . 1 1 10 10 THR C C 13 174.85 0.400 . 1 . . . . 10 THR C . 15940 1 105 . 1 1 10 10 THR CA C 13 62.69 0.400 . 1 . . . . 10 THR CA . 15940 1 106 . 1 1 10 10 THR CB C 13 69.57 0.400 . 1 . . . . 10 THR CB . 15940 1 107 . 1 1 10 10 THR CG2 C 13 21.75 0.400 . 1 . . . . 10 THR CG2 . 15940 1 108 . 1 1 10 10 THR N N 15 114.00 0.400 . 1 . . . . 10 THR N . 15940 1 109 . 1 1 11 11 LEU H H 1 7.893 0.020 . 1 . . . . 11 LEU H . 15940 1 110 . 1 1 11 11 LEU HA H 1 4.087 0.020 . 1 . . . . 11 LEU HA . 15940 1 111 . 1 1 11 11 LEU HB2 H 1 1.451 0.020 . 2 . . . . 11 LEU HB2 . 15940 1 112 . 1 1 11 11 LEU HB3 H 1 1.451 0.020 . 2 . . . . 11 LEU HB3 . 15940 1 113 . 1 1 11 11 LEU HD11 H 1 0.680 0.020 . 2 . . . . 11 LEU MD1 . 15940 1 114 . 1 1 11 11 LEU HD12 H 1 0.680 0.020 . 2 . . . . 11 LEU MD1 . 15940 1 115 . 1 1 11 11 LEU HD13 H 1 0.680 0.020 . 2 . . . . 11 LEU MD1 . 15940 1 116 . 1 1 11 11 LEU HD21 H 1 0.680 0.020 . 2 . . . . 11 LEU MD2 . 15940 1 117 . 1 1 11 11 LEU HD22 H 1 0.680 0.020 . 2 . . . . 11 LEU MD2 . 15940 1 118 . 1 1 11 11 LEU HD23 H 1 0.680 0.020 . 2 . . . . 11 LEU MD2 . 15940 1 119 . 1 1 11 11 LEU HG H 1 1.421 0.020 . 1 . . . . 11 LEU HG . 15940 1 120 . 1 1 11 11 LEU C C 13 177.73 0.400 . 1 . . . . 11 LEU C . 15940 1 121 . 1 1 11 11 LEU CA C 13 55.93 0.400 . 1 . . . . 11 LEU CA . 15940 1 122 . 1 1 11 11 LEU CB C 13 42.10 0.400 . 1 . . . . 11 LEU CB . 15940 1 123 . 1 1 11 11 LEU N N 15 124.50 0.400 . 1 . . . . 11 LEU N . 15940 1 124 . 1 1 12 12 LEU HA H 1 4.075 0.400 . 1 . . . . 12 LEU HA . 15940 1 125 . 1 1 12 12 LEU HB2 H 1 1.455 0.020 . 2 . . . . 12 LEU HB2 . 15940 1 126 . 1 1 12 12 LEU HB3 H 1 1.455 0.020 . 2 . . . . 12 LEU HB3 . 15940 1 127 . 1 1 12 12 LEU HD11 H 1 0.694 0.020 . 2 . . . . 12 LEU MD1 . 15940 1 128 . 1 1 12 12 LEU HD12 H 1 0.694 0.020 . 2 . . . . 12 LEU MD1 . 15940 1 129 . 1 1 12 12 LEU HD13 H 1 0.694 0.020 . 2 . . . . 12 LEU MD1 . 15940 1 130 . 1 1 12 12 LEU HD21 H 1 0.694 0.020 . 2 . . . . 12 LEU MD2 . 15940 1 131 . 1 1 12 12 LEU HD22 H 1 0.694 0.020 . 2 . . . . 12 LEU MD2 . 15940 1 132 . 1 1 12 12 LEU HD23 H 1 0.694 0.020 . 2 . . . . 12 LEU MD2 . 15940 1 133 . 1 1 12 12 LEU HG H 1 1.405 0.020 . 1 . . . . 12 LEU HG . 15940 1 134 . 1 1 12 12 LEU CD1 C 13 23.44 0.400 . 2 . . . . 12 LEU CD1 . 15940 1 135 . 1 1 12 12 LEU CD2 C 13 23.44 0.400 . 2 . . . . 12 LEU CD2 . 15940 1 136 . 1 1 12 12 LEU CG C 13 26.92 0.400 . 1 . . . . 12 LEU CG . 15940 1 137 . 1 1 13 13 GLN H H 1 8.091 0.400 . 1 . . . . 13 GLN H . 15940 1 138 . 1 1 13 13 GLN HA H 1 3.989 0.400 . 1 . . . . 13 GLN HA . 15940 1 139 . 1 1 13 13 GLN HB2 H 1 2.020 0.020 . 2 . . . . 13 GLN HB2 . 15940 1 140 . 1 1 13 13 GLN HB3 H 1 2.020 0.020 . 2 . . . . 13 GLN HB3 . 15940 1 141 . 1 1 13 13 GLN HG2 H 1 2.073 0.020 . 2 . . . . 13 GLN HG2 . 15940 1 142 . 1 1 13 13 GLN HG3 H 1 2.073 0.020 . 2 . . . . 13 GLN HG3 . 15940 1 143 . 1 1 13 13 GLN C C 13 176.37 0.400 . 1 . . . . 13 GLN C . 15940 1 144 . 1 1 13 13 GLN CB C 13 28.84 0.400 . 1 . . . . 13 GLN CB . 15940 1 145 . 1 1 13 13 GLN CG C 13 33.37 0.400 . 1 . . . . 13 GLN CG . 15940 1 146 . 1 1 13 13 GLN N N 15 121.10 0.400 . 1 . . . . 13 GLN N . 15940 1 147 . 1 1 14 14 ALA H H 1 8.114 0.020 . 1 . . . . 14 ALA H . 15940 1 148 . 1 1 14 14 ALA HA H 1 3.962 0.400 . 1 . . . . 14 ALA HA . 15940 1 149 . 1 1 14 14 ALA HB1 H 1 1.229 0.020 . 1 . . . . 14 ALA MB . 15940 1 150 . 1 1 14 14 ALA HB2 H 1 1.229 0.020 . 1 . . . . 14 ALA MB . 15940 1 151 . 1 1 14 14 ALA HB3 H 1 1.229 0.020 . 1 . . . . 14 ALA MB . 15940 1 152 . 1 1 14 14 ALA C C 13 178.98 0.400 . 1 . . . . 14 ALA C . 15940 1 153 . 1 1 14 14 ALA CA C 13 53.41 0.400 . 1 . . . . 14 ALA CA . 15940 1 154 . 1 1 14 14 ALA CB C 13 18.55 0.400 . 1 . . . . 14 ALA CB . 15940 1 155 . 1 1 14 14 ALA N N 15 123.90 0.400 . 1 . . . . 14 ALA N . 15940 1 156 . 1 1 15 15 GLU H H 1 7.979 0.020 . 1 . . . . 15 GLU H . 15940 1 157 . 1 1 15 15 GLU HA H 1 3.981 0.400 . 1 . . . . 15 GLU HA . 15940 1 158 . 1 1 15 15 GLU HB2 H 1 1.870 0.020 . 2 . . . . 15 GLU HB2 . 15940 1 159 . 1 1 15 15 GLU HB3 H 1 1.870 0.020 . 2 . . . . 15 GLU HB3 . 15940 1 160 . 1 1 15 15 GLU HG2 H 1 1.956 0.020 . 2 . . . . 15 GLU HG2 . 15940 1 161 . 1 1 15 15 GLU HG3 H 1 1.956 0.020 . 2 . . . . 15 GLU HG3 . 15940 1 162 . 1 1 15 15 GLU C C 13 177.00 0.400 . 1 . . . . 15 GLU C . 15940 1 163 . 1 1 15 15 GLU CA C 13 58.75 0.400 . 1 . . . . 15 GLU CA . 15940 1 164 . 1 1 15 15 GLU CB C 13 30.34 0.400 . 1 . . . . 15 GLU CB . 15940 1 165 . 1 1 15 15 GLU CG C 13 36.38 0.400 . 1 . . . . 15 GLU CG . 15940 1 166 . 1 1 15 15 GLU N N 15 119.90 0.400 . 1 . . . . 15 GLU N . 15940 1 167 . 1 1 16 16 LYS H H 1 8.029 0.020 . 1 . . . . 16 LYS H . 15940 1 168 . 1 1 16 16 LYS HA H 1 3.981 0.400 . 1 . . . . 16 LYS HA . 15940 1 169 . 1 1 16 16 LYS HB2 H 1 1.668 0.020 . 2 . . . . 16 LYS HB2 . 15940 1 170 . 1 1 16 16 LYS HB3 H 1 1.668 0.020 . 2 . . . . 16 LYS HB3 . 15940 1 171 . 1 1 16 16 LYS HD2 H 1 1.472 0.020 . 2 . . . . 16 LYS HD2 . 15940 1 172 . 1 1 16 16 LYS HD3 H 1 1.472 0.020 . 2 . . . . 16 LYS HD3 . 15940 1 173 . 1 1 16 16 LYS HE2 H 1 2.786 0.020 . 2 . . . . 16 LYS HE2 . 15940 1 174 . 1 1 16 16 LYS HE3 H 1 2.786 0.020 . 2 . . . . 16 LYS HE3 . 15940 1 175 . 1 1 16 16 LYS HG2 H 1 1.243 0.020 . 2 . . . . 16 LYS HG2 . 15940 1 176 . 1 1 16 16 LYS HG3 H 1 1.243 0.020 . 2 . . . . 16 LYS HG3 . 15940 1 177 . 1 1 16 16 LYS C C 13 177.65 0.400 . 1 . . . . 16 LYS C . 15940 1 178 . 1 1 16 16 LYS CA C 13 57.62 0.400 . 1 . . . . 16 LYS CA . 15940 1 179 . 1 1 16 16 LYS CB C 13 32.697 0.400 . 1 . . . . 16 LYS CB . 15940 1 180 . 1 1 16 16 LYS CD C 13 29.32 0.400 . 1 . . . . 16 LYS CD . 15940 1 181 . 1 1 16 16 LYS CE C 13 42.07 0.400 . 1 . . . . 16 LYS CE . 15940 1 182 . 1 1 16 16 LYS CG C 13 24.91 0.400 . 1 . . . . 16 LYS CG . 15940 1 183 . 1 1 16 16 LYS N N 15 121.60 0.400 . 1 . . . . 16 LYS N . 15940 1 184 . 1 1 17 17 GLU H H 1 8.158 0.020 . 1 . . . . 17 GLU H . 15940 1 185 . 1 1 17 17 GLU HA H 1 3.967 0.400 . 1 . . . . 17 GLU HA . 15940 1 186 . 1 1 17 17 GLU HB2 H 1 1.840 0.020 . 2 . . . . 17 GLU HB2 . 15940 1 187 . 1 1 17 17 GLU HB3 H 1 1.840 0.020 . 2 . . . . 17 GLU HB3 . 15940 1 188 . 1 1 17 17 GLU HG2 H 1 2.033 0.020 . 2 . . . . 17 GLU HG2 . 15940 1 189 . 1 1 17 17 GLU HG3 H 1 2.033 0.020 . 2 . . . . 17 GLU HG3 . 15940 1 190 . 1 1 17 17 GLU C C 13 177.198 0.400 . 1 . . . . 17 GLU C . 15940 1 191 . 1 1 17 17 GLU CA C 13 57.399 0.400 . 1 . . . . 17 GLU CA . 15940 1 192 . 1 1 17 17 GLU CB C 13 29.704 0.400 . 1 . . . . 17 GLU CB . 15940 1 193 . 1 1 17 17 GLU CG C 13 36.40 0.400 . 1 . . . . 17 GLU CG . 15940 1 194 . 1 1 17 17 GLU N N 15 120.70 0.400 . 1 . . . . 17 GLU N . 15940 1 195 . 1 1 18 18 ALA H H 1 8.009 0.020 . 1 . . . . 18 ALA H . 15940 1 196 . 1 1 18 18 ALA HA H 1 4.053 0.400 . 1 . . . . 18 ALA HA . 15940 1 197 . 1 1 18 18 ALA HB1 H 1 1.227 0.020 . 1 . . . . 18 ALA MB . 15940 1 198 . 1 1 18 18 ALA HB2 H 1 1.227 0.020 . 1 . . . . 18 ALA MB . 15940 1 199 . 1 1 18 18 ALA HB3 H 1 1.227 0.020 . 1 . . . . 18 ALA MB . 15940 1 200 . 1 1 18 18 ALA C C 13 178.586 0.400 . 1 . . . . 18 ALA C . 15940 1 201 . 1 1 18 18 ALA CA C 13 53.485 0.400 . 1 . . . . 18 ALA CA . 15940 1 202 . 1 1 18 18 ALA CB C 13 18.472 0.400 . 1 . . . . 18 ALA CB . 15940 1 203 . 1 1 18 18 ALA N N 15 123.50 0.400 . 1 . . . . 18 ALA N . 15940 1 204 . 1 1 19 19 HIS H H 1 8.103 0.020 . 1 . . . . 19 HIS H . 15940 1 205 . 1 1 19 19 HIS C C 13 177.454 0.400 . 1 . . . . 19 HIS C . 15940 1 206 . 1 1 19 19 HIS CA C 13 57.511 0.400 . 1 . . . . 19 HIS CA . 15940 1 207 . 1 1 19 19 HIS CB C 13 29.807 0.400 . 1 . . . . 19 HIS CB . 15940 1 208 . 1 1 19 19 HIS N N 15 119.70 0.400 . 1 . . . . 19 HIS N . 15940 1 209 . 1 1 20 20 GLU HA H 1 4.101 0.400 . 1 . . . . 20 GLU HA . 15940 1 210 . 1 1 21 21 ILE H H 1 7.966 0.020 . 1 . . . . 21 ILE H . 15940 1 211 . 1 1 21 21 ILE HA H 1 3.782 0.400 . 1 . . . . 21 ILE HA . 15940 1 212 . 1 1 21 21 ILE HB H 1 1.718 0.020 . 1 . . . . 21 ILE HB . 15940 1 213 . 1 1 21 21 ILE HD11 H 1 0.721 0.020 . 1 . . . . 21 ILE MD . 15940 1 214 . 1 1 21 21 ILE HD12 H 1 0.721 0.020 . 1 . . . . 21 ILE MD . 15940 1 215 . 1 1 21 21 ILE HD13 H 1 0.721 0.020 . 1 . . . . 21 ILE MD . 15940 1 216 . 1 1 21 21 ILE HG12 H 1 1.385 0.020 . 2 . . . . 21 ILE HG12 . 15940 1 217 . 1 1 21 21 ILE HG13 H 1 1.720 0.020 . 2 . . . . 21 ILE HG13 . 15940 1 218 . 1 1 21 21 ILE CA C 13 59.710 0.400 . 1 . . . . 21 ILE CA . 15940 1 219 . 1 1 21 21 ILE CB C 13 35.350 0.400 . 1 . . . . 21 ILE CB . 15940 1 220 . 1 1 21 21 ILE CD1 C 13 12.84 0.400 . 1 . . . . 21 ILE CD1 . 15940 1 221 . 1 1 21 21 ILE CG1 C 13 27.85 0.400 . 1 . . . . 21 ILE CG1 . 15940 1 222 . 1 1 21 21 ILE CG2 C 13 17.40 0.400 . 1 . . . . 21 ILE CG2 . 15940 1 223 . 1 1 22 22 VAL H H 1 7.832 0.020 . 1 . . . . 22 VAL H . 15940 1 224 . 1 1 22 22 VAL HA H 1 3.786 0.040 . 1 . . . . 22 VAL HA . 15940 1 225 . 1 1 22 22 VAL HB H 1 1.883 0.020 . 1 . . . . 22 VAL HB . 15940 1 226 . 1 1 22 22 VAL HG11 H 1 0.760 0.020 . 2 . . . . 22 VAL MG1 . 15940 1 227 . 1 1 22 22 VAL HG12 H 1 0.760 0.020 . 2 . . . . 22 VAL MG1 . 15940 1 228 . 1 1 22 22 VAL HG13 H 1 0.760 0.020 . 2 . . . . 22 VAL MG1 . 15940 1 229 . 1 1 22 22 VAL HG21 H 1 0.760 0.020 . 2 . . . . 22 VAL MG2 . 15940 1 230 . 1 1 22 22 VAL HG22 H 1 0.760 0.020 . 2 . . . . 22 VAL MG2 . 15940 1 231 . 1 1 22 22 VAL HG23 H 1 0.760 0.020 . 2 . . . . 22 VAL MG2 . 15940 1 232 . 1 1 22 22 VAL C C 13 177.086 0.400 . 1 . . . . 22 VAL C . 15940 1 233 . 1 1 22 22 VAL CA C 13 63.825 0.400 . 1 . . . . 22 VAL CA . 15940 1 234 . 1 1 22 22 VAL CB C 13 32.185 0.400 . 1 . . . . 22 VAL CB . 15940 1 235 . 1 1 22 22 VAL CG1 C 13 21.14 0.400 . 2 . . . . 22 VAL CG1 . 15940 1 236 . 1 1 22 22 VAL CG2 C 13 26.74 0.400 . 2 . . . . 22 VAL CG2 . 15940 1 237 . 1 1 22 22 VAL N N 15 122.90 0.400 . 1 . . . . 22 VAL N . 15940 1 238 . 1 1 23 23 SER H H 1 8.164 0.020 . 1 . . . . 23 SER H . 15940 1 239 . 1 1 23 23 SER HA H 1 4.103 0.400 . 1 . . . . 23 SER HA . 15940 1 240 . 1 1 23 23 SER HB2 H 1 3.823 0.020 . 2 . . . . 23 SER HB2 . 15940 1 241 . 1 1 23 23 SER HB3 H 1 3.823 0.020 . 2 . . . . 23 SER HB3 . 15940 1 242 . 1 1 23 23 SER C C 13 175.636 0.400 . 1 . . . . 23 SER C . 15940 1 243 . 1 1 23 23 SER CA C 13 59.496 0.400 . 1 . . . . 23 SER CA . 15940 1 244 . 1 1 23 23 SER CB C 13 63.230 0.400 . 1 . . . . 23 SER CB . 15940 1 245 . 1 1 23 23 SER N N 15 118.30 0.400 . 1 . . . . 23 SER N . 15940 1 246 . 1 1 24 24 LYS H H 1 8.154 0.020 . 1 . . . . 24 LYS H . 15940 1 247 . 1 1 24 24 LYS HA H 1 3.988 0.400 . 1 . . . . 24 LYS HA . 15940 1 248 . 1 1 24 24 LYS HB2 H 1 1.644 0.020 . 2 . . . . 24 LYS HB2 . 15940 1 249 . 1 1 24 24 LYS HB3 H 1 1.644 0.020 . 2 . . . . 24 LYS HB3 . 15940 1 250 . 1 1 24 24 LYS HD2 H 1 1.376 0.020 . 2 . . . . 24 LYS HD2 . 15940 1 251 . 1 1 24 24 LYS HD3 H 1 1.376 0.020 . 2 . . . . 24 LYS HD3 . 15940 1 252 . 1 1 24 24 LYS HE2 H 1 2.778 0.020 . 2 . . . . 24 LYS HE2 . 15940 1 253 . 1 1 24 24 LYS HE3 H 1 2.778 0.020 . 2 . . . . 24 LYS HE3 . 15940 1 254 . 1 1 24 24 LYS HG2 H 1 1.353 0.020 . 2 . . . . 24 LYS HG2 . 15940 1 255 . 1 1 24 24 LYS HG3 H 1 1.353 0.020 . 2 . . . . 24 LYS HG3 . 15940 1 256 . 1 1 24 24 LYS C C 13 177.215 0.400 . 1 . . . . 24 LYS C . 15940 1 257 . 1 1 24 24 LYS CA C 13 57.614 0.400 . 1 . . . . 24 LYS CA . 15940 1 258 . 1 1 24 24 LYS CB C 13 32.546 0.400 . 1 . . . . 24 LYS CB . 15940 1 259 . 1 1 24 24 LYS CD C 13 29.35 0.400 . 1 . . . . 24 LYS CD . 15940 1 260 . 1 1 24 24 LYS CE C 13 42.09 0.400 . 1 . . . . 24 LYS CE . 15940 1 261 . 1 1 24 24 LYS CG C 13 25.21 0.400 . 1 . . . . 24 LYS CG . 15940 1 262 . 1 1 24 24 LYS N N 15 123.10 0.400 . 1 . . . . 24 LYS N . 15940 1 263 . 1 1 25 25 ALA H H 1 7.890 0.020 . 1 . . . . 25 ALA H . 15940 1 264 . 1 1 25 25 ALA HA H 1 3.986 0.400 . 1 . . . . 25 ALA HA . 15940 1 265 . 1 1 25 25 ALA HB1 H 1 1.213 0.020 . 1 . . . . 25 ALA MB . 15940 1 266 . 1 1 25 25 ALA HB2 H 1 1.213 0.020 . 1 . . . . 25 ALA MB . 15940 1 267 . 1 1 25 25 ALA HB3 H 1 1.213 0.020 . 1 . . . . 25 ALA MB . 15940 1 268 . 1 1 25 25 ALA C C 13 178.696 0.400 . 1 . . . . 25 ALA C . 15940 1 269 . 1 1 25 25 ALA CA C 13 53.394 0.400 . 1 . . . . 25 ALA CA . 15940 1 270 . 1 1 25 25 ALA CB C 13 18.522 0.400 . 1 . . . . 25 ALA CB . 15940 1 271 . 1 1 25 25 ALA N N 15 123.20 0.400 . 1 . . . . 25 ALA N . 15940 1 272 . 1 1 26 26 ARG H H 1 8.068 0.020 . 1 . . . . 26 ARG H . 15940 1 273 . 1 1 26 26 ARG HA H 1 4.342 0.400 . 1 . . . . 26 ARG HA . 15940 1 274 . 1 1 26 26 ARG HB2 H 1 1.859 0.020 . 2 . . . . 26 ARG HB2 . 15940 1 275 . 1 1 26 26 ARG HB3 H 1 1.859 0.020 . 2 . . . . 26 ARG HB3 . 15940 1 276 . 1 1 26 26 ARG HD2 H 1 3.007 0.020 . 2 . . . . 26 ARG HD2 . 15940 1 277 . 1 1 26 26 ARG HD3 H 1 3.007 0.020 . 2 . . . . 26 ARG HD3 . 15940 1 278 . 1 1 26 26 ARG C C 13 175.982 0.400 . 1 . . . . 26 ARG C . 15940 1 279 . 1 1 26 26 ARG CA C 13 56.971 0.400 . 1 . . . . 26 ARG CA . 15940 1 280 . 1 1 26 26 ARG CB C 13 29.720 0.400 . 1 . . . . 26 ARG CB . 15940 1 281 . 1 1 26 26 ARG N N 15 117.50 0.400 . 1 . . . . 26 ARG N . 15940 1 282 . 1 1 27 27 LYS HA H 1 3.990 0.400 . 1 . . . . 27 LYS HA . 15940 1 283 . 1 1 27 27 LYS HB2 H 1 1.535 0.020 . 2 . . . . 27 LYS HB2 . 15940 1 284 . 1 1 27 27 LYS HB3 H 1 1.535 0.020 . 2 . . . . 27 LYS HB3 . 15940 1 285 . 1 1 27 27 LYS HD2 H 1 1.492 0.020 . 2 . . . . 27 LYS HD2 . 15940 1 286 . 1 1 27 27 LYS HD3 H 1 1.492 0.020 . 2 . . . . 27 LYS HD3 . 15940 1 287 . 1 1 27 27 LYS HE2 H 1 2.789 0.020 . 2 . . . . 27 LYS HE2 . 15940 1 288 . 1 1 27 27 LYS HE3 H 1 2.789 0.020 . 2 . . . . 27 LYS HE3 . 15940 1 289 . 1 1 27 27 LYS HG2 H 1 1.282 0.020 . 2 . . . . 27 LYS HG2 . 15940 1 290 . 1 1 27 27 LYS HG3 H 1 1.282 0.020 . 2 . . . . 27 LYS HG3 . 15940 1 291 . 1 1 27 27 LYS CD C 13 29.12 0.400 . 1 . . . . 27 LYS CD . 15940 1 292 . 1 1 27 27 LYS CE C 13 41.90 0.400 . 1 . . . . 27 LYS CE . 15940 1 293 . 1 1 27 27 LYS CG C 13 24.74 0.400 . 1 . . . . 27 LYS CG . 15940 1 294 . 1 1 28 28 TYR H H 1 7.984 0.020 . 1 . . . . 28 TYR H . 15940 1 295 . 1 1 28 28 TYR HA H 1 4.298 0.400 . 1 . . . . 28 TYR HA . 15940 1 296 . 1 1 28 28 TYR HB2 H 1 2.841 0.020 . 2 . . . . 28 TYR HB2 . 15940 1 297 . 1 1 28 28 TYR HB3 H 1 2.841 0.020 . 2 . . . . 28 TYR HB3 . 15940 1 298 . 1 1 28 28 TYR HD1 H 1 6.926 0.020 . 3 . . . . 28 TYR HD1 . 15940 1 299 . 1 1 28 28 TYR HD2 H 1 6.926 0.020 . 3 . . . . 28 TYR HD2 . 15940 1 300 . 1 1 28 28 TYR C C 13 176.337 0.400 . 1 . . . . 28 TYR C . 15940 1 301 . 1 1 28 28 TYR CA C 13 57.163 0.400 . 1 . . . . 28 TYR CA . 15940 1 302 . 1 1 28 28 TYR CB C 13 38.437 0.400 . 1 . . . . 28 TYR CB . 15940 1 303 . 1 1 28 28 TYR N N 15 120.20 0.400 . 1 . . . . 28 TYR N . 15940 1 304 . 1 1 29 29 ARG H H 1 7.942 0.020 . 1 . . . . 29 ARG H . 15940 1 305 . 1 1 29 29 ARG HA H 1 4.050 0.400 . 1 . . . . 29 ARG HA . 15940 1 306 . 1 1 29 29 ARG HB2 H 1 1.452 0.020 . 2 . . . . 29 ARG HB2 . 15940 1 307 . 1 1 29 29 ARG HB3 H 1 1.452 0.020 . 2 . . . . 29 ARG HB3 . 15940 1 308 . 1 1 29 29 ARG HD2 H 1 2.771 0.020 . 2 . . . . 29 ARG HD2 . 15940 1 309 . 1 1 29 29 ARG HD3 H 1 2.771 0.020 . 2 . . . . 29 ARG HD3 . 15940 1 310 . 1 1 29 29 ARG HG2 H 1 1.109 0.020 . 2 . . . . 29 ARG HG2 . 15940 1 311 . 1 1 29 29 ARG HG3 H 1 1.109 0.020 . 2 . . . . 29 ARG HG3 . 15940 1 312 . 1 1 29 29 ARG C C 13 177.389 0.400 . 1 . . . . 29 ARG C . 15940 1 313 . 1 1 29 29 ARG CA C 13 57.103 0.400 . 1 . . . . 29 ARG CA . 15940 1 314 . 1 1 29 29 ARG CB C 13 30.483 0.400 . 1 . . . . 29 ARG CB . 15940 1 315 . 1 1 29 29 ARG CD C 13 42.06 0.400 . 1 . . . . 29 ARG CD . 15940 1 316 . 1 1 29 29 ARG CG C 13 29.06 0.400 . 1 . . . . 29 ARG CG . 15940 1 317 . 1 1 29 29 ARG N N 15 121.60 0.400 . 1 . . . . 29 ARG N . 15940 1 318 . 1 1 30 30 GLN H H 1 8.404 0.020 . 1 . . . . 30 GLN H . 15940 1 319 . 1 1 30 30 GLN HA H 1 3.992 0.020 . 1 . . . . 30 GLN HA . 15940 1 320 . 1 1 30 30 GLN HB2 H 1 1.889 0.020 . 2 . . . . 30 GLN HB2 . 15940 1 321 . 1 1 30 30 GLN HB3 H 1 1.889 0.020 . 2 . . . . 30 GLN HB3 . 15940 1 322 . 1 1 30 30 GLN HG2 H 1 2.207 0.020 . 2 . . . . 30 GLN HG2 . 15940 1 323 . 1 1 30 30 GLN HG3 H 1 2.207 0.020 . 2 . . . . 30 GLN HG3 . 15940 1 324 . 1 1 30 30 GLN C C 13 174.618 0.400 . 1 . . . . 30 GLN C . 15940 1 325 . 1 1 30 30 GLN CB C 13 30.281 0.400 . 1 . . . . 30 GLN CB . 15940 1 326 . 1 1 30 30 GLN CG C 13 33.84 0.400 . 1 . . . . 30 GLN CG . 15940 1 327 . 1 1 30 30 GLN N N 15 121.10 0.400 . 1 . . . . 30 GLN N . 15940 1 328 . 1 1 31 31 ASP H H 1 8.323 0.020 . 1 . . . . 31 ASP H . 15940 1 329 . 1 1 31 31 ASP HA H 1 4.320 0.400 . 1 . . . . 31 ASP HA . 15940 1 330 . 1 1 31 31 ASP HB2 H 1 2.476 0.020 . 2 . . . . 31 ASP HB2 . 15940 1 331 . 1 1 31 31 ASP HB3 H 1 2.476 0.020 . 2 . . . . 31 ASP HB3 . 15940 1 332 . 1 1 31 31 ASP C C 13 177.102 0.400 . 1 . . . . 31 ASP C . 15940 1 333 . 1 1 31 31 ASP CA C 13 55.128 0.400 . 1 . . . . 31 ASP CA . 15940 1 334 . 1 1 31 31 ASP CB C 13 40.571 0.400 . 1 . . . . 31 ASP CB . 15940 1 335 . 1 1 31 31 ASP N N 15 121.50 0.400 . 1 . . . . 31 ASP N . 15940 1 336 . 1 1 32 32 LYS H H 1 7.962 0.020 . 1 . . . . 32 LYS H . 15940 1 337 . 1 1 32 32 LYS HA H 1 3.989 0.400 . 1 . . . . 32 LYS HA . 15940 1 338 . 1 1 32 32 LYS HB2 H 1 1.588 0.020 . 2 . . . . 32 LYS HB2 . 15940 1 339 . 1 1 32 32 LYS HB3 H 1 1.588 0.020 . 2 . . . . 32 LYS HB3 . 15940 1 340 . 1 1 32 32 LYS HD2 H 1 1.466 0.020 . 2 . . . . 32 LYS HD2 . 15940 1 341 . 1 1 32 32 LYS HD3 H 1 1.466 0.020 . 2 . . . . 32 LYS HD3 . 15940 1 342 . 1 1 32 32 LYS HE2 H 1 2.750 0.020 . 2 . . . . 32 LYS HE2 . 15940 1 343 . 1 1 32 32 LYS HE3 H 1 2.750 0.020 . 2 . . . . 32 LYS HE3 . 15940 1 344 . 1 1 32 32 LYS HG2 H 1 1.212 0.020 . 2 . . . . 32 LYS HG2 . 15940 1 345 . 1 1 32 32 LYS HG3 H 1 1.212 0.020 . 2 . . . . 32 LYS HG3 . 15940 1 346 . 1 1 32 32 LYS C C 13 176.840 0.400 . 1 . . . . 32 LYS C . 15940 1 347 . 1 1 32 32 LYS CA C 13 56.910 0.400 . 1 . . . . 32 LYS CA . 15940 1 348 . 1 1 32 32 LYS CB C 13 32.755 0.400 . 1 . . . . 32 LYS CB . 15940 1 349 . 1 1 32 32 LYS CD C 13 28.80 0.400 . 1 . . . . 32 LYS CD . 15940 1 350 . 1 1 32 32 LYS CE C 13 42.01 0.400 . 1 . . . . 32 LYS CE . 15940 1 351 . 1 1 32 32 LYS CG C 13 24.74 0.400 . 1 . . . . 32 LYS CG . 15940 1 352 . 1 1 32 32 LYS N N 15 120.90 0.400 . 1 . . . . 32 LYS N . 15940 1 353 . 1 1 33 33 LEU H H 1 7.900 0.020 . 1 . . . . 33 LEU H . 15940 1 354 . 1 1 33 33 LEU HA H 1 4.043 0.400 . 1 . . . . 33 LEU HA . 15940 1 355 . 1 1 33 33 LEU HB2 H 1 1.446 0.020 . 2 . . . . 33 LEU HB2 . 15940 1 356 . 1 1 33 33 LEU HB3 H 1 1.446 0.020 . 2 . . . . 33 LEU HB3 . 15940 1 357 . 1 1 33 33 LEU HD11 H 1 0.680 0.020 . 2 . . . . 33 LEU MD1 . 15940 1 358 . 1 1 33 33 LEU HD12 H 1 0.680 0.020 . 2 . . . . 33 LEU MD1 . 15940 1 359 . 1 1 33 33 LEU HD13 H 1 0.680 0.020 . 2 . . . . 33 LEU MD1 . 15940 1 360 . 1 1 33 33 LEU HD21 H 1 0.680 0.020 . 2 . . . . 33 LEU MD2 . 15940 1 361 . 1 1 33 33 LEU HD22 H 1 0.680 0.020 . 2 . . . . 33 LEU MD2 . 15940 1 362 . 1 1 33 33 LEU HD23 H 1 0.680 0.020 . 2 . . . . 33 LEU MD2 . 15940 1 363 . 1 1 33 33 LEU HG H 1 1.412 0.020 . 1 . . . . 33 LEU HG . 15940 1 364 . 1 1 33 33 LEU C C 13 177.946 0.400 . 1 . . . . 33 LEU C . 15940 1 365 . 1 1 33 33 LEU CA C 13 55.906 0.400 . 1 . . . . 33 LEU CA . 15940 1 366 . 1 1 33 33 LEU CB C 13 41.987 0.400 . 1 . . . . 33 LEU CB . 15940 1 367 . 1 1 33 33 LEU CG C 13 27.02 0.400 . 1 . . . . 33 LEU CG . 15940 1 368 . 1 1 33 33 LEU N N 15 121.50 0.400 . 1 . . . . 33 LEU N . 15940 1 369 . 1 1 34 34 LYS H H 1 7.911 0.020 . 1 . . . . 34 LYS H . 15940 1 370 . 1 1 34 34 LYS HA H 1 4.003 0.400 . 1 . . . . 34 LYS HA . 15940 1 371 . 1 1 34 34 LYS HB2 H 1 1.623 0.020 . 2 . . . . 34 LYS HB2 . 15940 1 372 . 1 1 34 34 LYS HB3 H 1 1.623 0.020 . 2 . . . . 34 LYS HB3 . 15940 1 373 . 1 1 34 34 LYS HD2 H 1 1.371 0.020 . 2 . . . . 34 LYS HD2 . 15940 1 374 . 1 1 34 34 LYS HD3 H 1 1.371 0.020 . 2 . . . . 34 LYS HD3 . 15940 1 375 . 1 1 34 34 LYS HE2 H 1 2.781 0.020 . 2 . . . . 34 LYS HE2 . 15940 1 376 . 1 1 34 34 LYS HE3 H 1 2.781 0.020 . 2 . . . . 34 LYS HE3 . 15940 1 377 . 1 1 34 34 LYS HG2 H 1 1.210 0.020 . 2 . . . . 34 LYS HG2 . 15940 1 378 . 1 1 34 34 LYS HG3 H 1 1.210 0.020 . 2 . . . . 34 LYS HG3 . 15940 1 379 . 1 1 34 34 LYS C C 13 176.990 0.400 . 1 . . . . 34 LYS C . 15940 1 380 . 1 1 34 34 LYS CA C 13 57.018 0.400 . 1 . . . . 34 LYS CA . 15940 1 381 . 1 1 34 34 LYS CB C 13 32.549 0.400 . 1 . . . . 34 LYS CB . 15940 1 382 . 1 1 34 34 LYS CD C 13 29.13 0.400 . 1 . . . . 34 LYS CD . 15940 1 383 . 1 1 34 34 LYS CE C 13 41.99 0.400 . 1 . . . . 34 LYS CE . 15940 1 384 . 1 1 34 34 LYS CG C 13 24.80 0.400 . 1 . . . . 34 LYS CG . 15940 1 385 . 1 1 34 34 LYS N N 15 121.20 0.400 . 1 . . . . 34 LYS N . 15940 1 386 . 1 1 35 35 GLN H H 1 8.044 0.020 . 1 . . . . 35 GLN H . 15940 1 387 . 1 1 35 35 GLN HA H 1 4.049 0.400 . 1 . . . . 35 GLN HA . 15940 1 388 . 1 1 35 35 GLN HB2 H 1 1.850 0.020 . 2 . . . . 35 GLN HB2 . 15940 1 389 . 1 1 35 35 GLN HB3 H 1 1.850 0.020 . 2 . . . . 35 GLN HB3 . 15940 1 390 . 1 1 35 35 GLN HG2 H 1 2.175 0.020 . 2 . . . . 35 GLN HG2 . 15940 1 391 . 1 1 35 35 GLN HG3 H 1 2.175 0.020 . 2 . . . . 35 GLN HG3 . 15940 1 392 . 1 1 35 35 GLN C C 13 175.849 0.400 . 1 . . . . 35 GLN C . 15940 1 393 . 1 1 35 35 GLN CA C 13 56.171 0.400 . 1 . . . . 35 GLN CA . 15940 1 394 . 1 1 35 35 GLN CB C 13 29.196 0.400 . 1 . . . . 35 GLN CB . 15940 1 395 . 1 1 35 35 GLN CG C 13 33.72 0.400 . 1 . . . . 35 GLN CG . 15940 1 396 . 1 1 35 35 GLN N N 15 120.80 0.400 . 1 . . . . 35 GLN N . 15940 1 397 . 1 1 36 36 ALA H H 1 8.108 0.020 . 1 . . . . 36 ALA H . 15940 1 398 . 1 1 36 36 ALA HA H 1 3.993 0.400 . 1 . . . . 36 ALA HA . 15940 1 399 . 1 1 36 36 ALA HB1 H 1 1.212 0.020 . 1 . . . . 36 ALA MB . 15940 1 400 . 1 1 36 36 ALA HB2 H 1 1.212 0.020 . 1 . . . . 36 ALA MB . 15940 1 401 . 1 1 36 36 ALA HB3 H 1 1.212 0.020 . 1 . . . . 36 ALA MB . 15940 1 402 . 1 1 36 36 ALA C C 13 178.151 0.400 . 1 . . . . 36 ALA C . 15940 1 403 . 1 1 36 36 ALA CA C 13 52.919 0.400 . 1 . . . . 36 ALA CA . 15940 1 404 . 1 1 36 36 ALA CB C 13 18.864 0.400 . 1 . . . . 36 ALA CB . 15940 1 405 . 1 1 36 36 ALA N N 15 124.90 0.400 . 1 . . . . 36 ALA N . 15940 1 406 . 1 1 37 37 LYS H H 1 8.145 0.020 . 1 . . . . 37 LYS H . 15940 1 407 . 1 1 37 37 LYS HA H 1 4.128 0.400 . 1 . . . . 37 LYS HA . 15940 1 408 . 1 1 37 37 LYS HB2 H 1 1.658 0.020 . 2 . . . . 37 LYS HB2 . 15940 1 409 . 1 1 37 37 LYS HB3 H 1 1.658 0.020 . 2 . . . . 37 LYS HB3 . 15940 1 410 . 1 1 37 37 LYS HD2 H 1 1.510 0.020 . 2 . . . . 37 LYS HD2 . 15940 1 411 . 1 1 37 37 LYS HD3 H 1 1.510 0.020 . 2 . . . . 37 LYS HD3 . 15940 1 412 . 1 1 37 37 LYS HE2 H 1 2.791 0.020 . 2 . . . . 37 LYS HE2 . 15940 1 413 . 1 1 37 37 LYS HE3 H 1 2.791 0.020 . 2 . . . . 37 LYS HE3 . 15940 1 414 . 1 1 37 37 LYS HG2 H 1 1.240 0.020 . 2 . . . . 37 LYS HG2 . 15940 1 415 . 1 1 37 37 LYS HG3 H 1 1.240 0.020 . 2 . . . . 37 LYS HG3 . 15940 1 416 . 1 1 37 37 LYS C C 13 177.255 0.400 . 1 . . . . 37 LYS C . 15940 1 417 . 1 1 37 37 LYS CA C 13 56.859 0.400 . 1 . . . . 37 LYS CA . 15940 1 418 . 1 1 37 37 LYS CB C 13 32.828 0.400 . 1 . . . . 37 LYS CB . 15940 1 419 . 1 1 37 37 LYS CD C 13 29.12 0.400 . 1 . . . . 37 LYS CD . 15940 1 420 . 1 1 37 37 LYS CE C 13 41.92 0.400 . 1 . . . . 37 LYS CE . 15940 1 421 . 1 1 37 37 LYS CG C 13 24.75 0.400 . 1 . . . . 37 LYS CG . 15940 1 422 . 1 1 37 37 LYS N N 15 120.60 0.400 . 1 . . . . 37 LYS N . 15940 1 423 . 1 1 38 38 THR H H 1 8.024 0.020 . 1 . . . . 38 THR H . 15940 1 424 . 1 1 38 38 THR HA H 1 4.094 0.400 . 1 . . . . 38 THR HA . 15940 1 425 . 1 1 38 38 THR HB H 1 4.022 0.020 . 1 . . . . 38 THR HB . 15940 1 426 . 1 1 38 38 THR C C 13 174.629 0.400 . 1 . . . . 38 THR C . 15940 1 427 . 1 1 38 38 THR CA C 13 62.421 0.400 . 1 . . . . 38 THR CA . 15940 1 428 . 1 1 38 38 THR CB C 13 69.674 0.400 . 1 . . . . 38 THR CB . 15940 1 429 . 1 1 38 38 THR CG2 C 13 21.58 0.400 . 1 . . . . 38 THR CG2 . 15940 1 430 . 1 1 38 38 THR N N 15 115.40 0.400 . 1 . . . . 38 THR N . 15940 1 431 . 1 1 39 39 ASP H H 1 8.251 0.020 . 1 . . . . 39 ASP H . 15940 1 432 . 1 1 39 39 ASP HA H 1 4.358 0.400 . 1 . . . . 39 ASP HA . 15940 1 433 . 1 1 39 39 ASP HB2 H 1 2.477 0.020 . 2 . . . . 39 ASP HB2 . 15940 1 434 . 1 1 39 39 ASP HB3 H 1 2.477 0.020 . 2 . . . . 39 ASP HB3 . 15940 1 435 . 1 1 39 39 ASP C C 13 174.600 0.400 . 1 . . . . 39 ASP C . 15940 1 436 . 1 1 39 39 ASP CA C 13 54.933 0.400 . 1 . . . . 39 ASP CA . 15940 1 437 . 1 1 39 39 ASP CB C 13 40.714 0.400 . 1 . . . . 39 ASP CB . 15940 1 438 . 1 1 39 39 ASP N N 15 122.70 0.400 . 1 . . . . 39 ASP N . 15940 1 439 . 1 1 40 40 ALA H H 1 8.025 0.020 . 1 . . . . 40 ALA H . 15940 1 440 . 1 1 40 40 ALA HA H 1 4.020 0.400 . 1 . . . . 40 ALA HA . 15940 1 441 . 1 1 40 40 ALA HB1 H 1 1.216 0.020 . 1 . . . . 40 ALA MB . 15940 1 442 . 1 1 40 40 ALA HB2 H 1 1.216 0.020 . 1 . . . . 40 ALA MB . 15940 1 443 . 1 1 40 40 ALA HB3 H 1 1.216 0.020 . 1 . . . . 40 ALA MB . 15940 1 444 . 1 1 40 40 ALA C C 13 177.988 0.400 . 1 . . . . 40 ALA C . 15940 1 445 . 1 1 40 40 ALA CA C 13 53.095 0.400 . 1 . . . . 40 ALA CA . 15940 1 446 . 1 1 40 40 ALA CB C 13 18.758 0.400 . 1 . . . . 40 ALA CB . 15940 1 447 . 1 1 40 40 ALA N N 15 124.30 0.400 . 1 . . . . 40 ALA N . 15940 1 448 . 1 1 41 41 ALA H H 1 7.989 0.020 . 1 . . . . 41 ALA H . 15940 1 449 . 1 1 41 41 ALA HA H 1 4.061 0.400 . 1 . . . . 41 ALA HA . 15940 1 450 . 1 1 41 41 ALA HB1 H 1 1.216 0.020 . 1 . . . . 41 ALA MB . 15940 1 451 . 1 1 41 41 ALA HB2 H 1 1.216 0.020 . 1 . . . . 41 ALA MB . 15940 1 452 . 1 1 41 41 ALA HB3 H 1 1.216 0.020 . 1 . . . . 41 ALA MB . 15940 1 453 . 1 1 41 41 ALA C C 13 178.060 0.400 . 1 . . . . 41 ALA C . 15940 1 454 . 1 1 41 41 ALA CA C 13 53.042 0.400 . 1 . . . . 41 ALA CA . 15940 1 455 . 1 1 41 41 ALA CB C 13 18.673 0.400 . 1 . . . . 41 ALA CB . 15940 1 456 . 1 1 41 41 ALA N N 15 122.30 0.400 . 1 . . . . 41 ALA N . 15940 1 457 . 1 1 42 42 LYS H H 1 7.909 0.020 . 1 . . . . 42 LYS H . 15940 1 458 . 1 1 42 42 LYS HA H 1 4.005 0.400 . 1 . . . . 42 LYS HA . 15940 1 459 . 1 1 42 42 LYS HB2 H 1 1.630 0.020 . 2 . . . . 42 LYS HB2 . 15940 1 460 . 1 1 42 42 LYS HB3 H 1 1.630 0.020 . 2 . . . . 42 LYS HB3 . 15940 1 461 . 1 1 42 42 LYS HD2 H 1 1.450 0.020 . 2 . . . . 42 LYS HD2 . 15940 1 462 . 1 1 42 42 LYS HD3 H 1 1.450 0.020 . 2 . . . . 42 LYS HD3 . 15940 1 463 . 1 1 42 42 LYS HE2 H 1 2.861 0.020 . 2 . . . . 42 LYS HE2 . 15940 1 464 . 1 1 42 42 LYS HE3 H 1 2.861 0.020 . 2 . . . . 42 LYS HE3 . 15940 1 465 . 1 1 42 42 LYS HG2 H 1 1.229 0.020 . 2 . . . . 42 LYS HG2 . 15940 1 466 . 1 1 42 42 LYS HG3 H 1 1.229 0.020 . 2 . . . . 42 LYS HG3 . 15940 1 467 . 1 1 42 42 LYS C C 13 176.942 0.400 . 1 . . . . 42 LYS C . 15940 1 468 . 1 1 42 42 LYS CA C 13 56.705 0.400 . 1 . . . . 42 LYS CA . 15940 1 469 . 1 1 42 42 LYS CB C 13 32.869 0.400 . 1 . . . . 42 LYS CB . 15940 1 470 . 1 1 42 42 LYS CD C 13 29.07 0.400 . 1 . . . . 42 LYS CD . 15940 1 471 . 1 1 42 42 LYS CE C 13 41.88 0.400 . 1 . . . . 42 LYS CE . 15940 1 472 . 1 1 42 42 LYS CG C 13 24.70 0.400 . 1 . . . . 42 LYS CG . 15940 1 473 . 1 1 42 42 LYS N N 15 119.60 0.400 . 1 . . . . 42 LYS N . 15940 1 474 . 1 1 43 43 GLU H H 1 8.126 0.020 . 1 . . . . 43 GLU H . 15940 1 475 . 1 1 43 43 GLU HA H 1 4.214 0.40 . 1 . . . . 43 GLU HA . 15940 1 476 . 1 1 43 43 GLU HB2 H 1 2.292 0.020 . 2 . . . . 43 GLU HB2 . 15940 1 477 . 1 1 43 43 GLU HB3 H 1 2.292 0.020 . 2 . . . . 43 GLU HB3 . 15940 1 478 . 1 1 43 43 GLU HG2 H 1 2.580 0.020 . 2 . . . . 43 GLU HG2 . 15940 1 479 . 1 1 43 43 GLU HG3 H 1 2.580 0.020 . 2 . . . . 43 GLU HG3 . 15940 1 480 . 1 1 43 43 GLU C C 13 176.587 0.400 . 1 . . . . 43 GLU C . 15940 1 481 . 1 1 43 43 GLU CA C 13 56.854 0.400 . 1 . . . . 43 GLU CA . 15940 1 482 . 1 1 43 43 GLU CB C 13 29.876 0.400 . 1 . . . . 43 GLU CB . 15940 1 483 . 1 1 43 43 GLU CG C 13 36.16 0.400 . 1 . . . . 43 GLU CG . 15940 1 484 . 1 1 43 43 GLU N N 15 121.00 0.400 . 1 . . . . 43 GLU N . 15940 1 485 . 1 1 44 44 ILE H H 1 7.974 0.020 . 1 . . . . 44 ILE H . 15940 1 486 . 1 1 44 44 ILE HA H 1 3.987 0.400 . 1 . . . . 44 ILE HA . 15940 1 487 . 1 1 44 44 ILE HB H 1 2.222 0.020 . 1 . . . . 44 ILE HB . 15940 1 488 . 1 1 44 44 ILE HD11 H 1 0.692 0.020 . 1 . . . . 44 ILE MD . 15940 1 489 . 1 1 44 44 ILE HD12 H 1 0.692 0.020 . 1 . . . . 44 ILE MD . 15940 1 490 . 1 1 44 44 ILE HD13 H 1 0.692 0.020 . 1 . . . . 44 ILE MD . 15940 1 491 . 1 1 44 44 ILE HG12 H 1 1.274 0.020 . 2 . . . . 44 ILE HG12 . 15940 1 492 . 1 1 44 44 ILE HG13 H 1 1.670 0.020 . 2 . . . . 44 ILE HG13 . 15940 1 493 . 1 1 44 44 ILE C C 13 177.542 0.400 . 1 . . . . 44 ILE C . 15940 1 494 . 1 1 44 44 ILE CA C 13 61.831 0.400 . 1 . . . . 44 ILE CA . 15940 1 495 . 1 1 44 44 ILE CB C 13 38.559 0.400 . 1 . . . . 44 ILE CB . 15940 1 496 . 1 1 44 44 ILE CD1 C 13 13.01 0.400 . 1 . . . . 44 ILE CD1 . 15940 1 497 . 1 1 44 44 ILE CG1 C 13 28.06 0.400 . 1 . . . . 44 ILE CG1 . 15940 1 498 . 1 1 44 44 ILE CG2 C 13 17.61 0.400 . 1 . . . . 44 ILE CG2 . 15940 1 499 . 1 1 44 44 ILE N N 15 121.30 0.400 . 1 . . . . 44 ILE N . 15940 1 500 . 1 1 45 45 ASP H H 1 8.187 0.020 . 1 . . . . 45 ASP H . 15940 1 501 . 1 1 45 45 ASP HA H 1 4.401 0.400 . 1 . . . . 45 ASP HA . 15940 1 502 . 1 1 45 45 ASP HB2 H 1 2.444 0.020 . 2 . . . . 45 ASP HB2 . 15940 1 503 . 1 1 45 45 ASP HB3 H 1 2.444 0.020 . 2 . . . . 45 ASP HB3 . 15940 1 504 . 1 1 45 45 ASP C C 13 176.675 0.400 . 1 . . . . 45 ASP C . 15940 1 505 . 1 1 45 45 ASP CA C 13 54.853 0.400 . 1 . . . . 45 ASP CA . 15940 1 506 . 1 1 45 45 ASP CB C 13 40.788 0.400 . 1 . . . . 45 ASP CB . 15940 1 507 . 1 1 45 45 ASP N N 15 123.60 0.400 . 1 . . . . 45 ASP N . 15940 1 508 . 1 1 46 46 SER H H 1 8.036 0.020 . 1 . . . . 46 SER H . 15940 1 509 . 1 1 46 46 SER HA H 1 4.067 0.400 . 1 . . . . 46 SER HA . 15940 1 510 . 1 1 46 46 SER HB2 H 1 3.723 0.020 . 2 . . . . 46 SER HB2 . 15940 1 511 . 1 1 46 46 SER HB3 H 1 3.723 0.020 . 2 . . . . 46 SER HB3 . 15940 1 512 . 1 1 46 46 SER C C 13 174.852 0.400 . 1 . . . . 46 SER C . 15940 1 513 . 1 1 46 46 SER CA C 13 59.494 0.400 . 1 . . . . 46 SER CA . 15940 1 514 . 1 1 46 46 SER CB C 13 63.332 0.400 . 1 . . . . 46 SER CB . 15940 1 515 . 1 1 46 46 SER N N 15 116.50 0.400 . 1 . . . . 46 SER N . 15940 1 516 . 1 1 47 47 TYR H H 1 7.937 0.020 . 1 . . . . 47 TYR H . 15940 1 517 . 1 1 47 47 TYR HA H 1 4.263 0.400 . 1 . . . . 47 TYR HA . 15940 1 518 . 1 1 47 47 TYR HB2 H 1 2.862 0.020 . 2 . . . . 47 TYR HB2 . 15940 1 519 . 1 1 47 47 TYR HB3 H 1 2.862 0.020 . 2 . . . . 47 TYR HB3 . 15940 1 520 . 1 1 47 47 TYR C C 13 175.992 0.400 . 1 . . . . 47 TYR C . 15940 1 521 . 1 1 47 47 TYR CA C 13 58.867 0.400 . 1 . . . . 47 TYR CA . 15940 1 522 . 1 1 47 47 TYR CB C 13 38.066 0.400 . 1 . . . . 47 TYR CB . 15940 1 523 . 1 1 47 47 TYR N N 15 121.70 0.400 . 1 . . . . 47 TYR N . 15940 1 524 . 1 1 48 48 LYS H H 1 7.713 0.020 . 1 . . . . 48 LYS H . 15940 1 525 . 1 1 48 48 LYS HA H 1 3.954 0.400 . 1 . . . . 48 LYS HA . 15940 1 526 . 1 1 48 48 LYS HB2 H 1 1.550 0.020 . 2 . . . . 48 LYS HB2 . 15940 1 527 . 1 1 48 48 LYS HB3 H 1 1.550 0.020 . 2 . . . . 48 LYS HB3 . 15940 1 528 . 1 1 48 48 LYS HD2 H 1 1.492 0.020 . 2 . . . . 48 LYS HD2 . 15940 1 529 . 1 1 48 48 LYS HD3 H 1 1.492 0.020 . 2 . . . . 48 LYS HD3 . 15940 1 530 . 1 1 48 48 LYS HE2 H 1 2.792 0.020 . 2 . . . . 48 LYS HE2 . 15940 1 531 . 1 1 48 48 LYS HE3 H 1 2.792 0.020 . 2 . . . . 48 LYS HE3 . 15940 1 532 . 1 1 48 48 LYS HG2 H 1 1.148 0.020 . 2 . . . . 48 LYS HG2 . 15940 1 533 . 1 1 48 48 LYS HG3 H 1 1.148 0.020 . 2 . . . . 48 LYS HG3 . 15940 1 534 . 1 1 48 48 LYS C C 13 176.494 0.400 . 1 . . . . 48 LYS C . 15940 1 535 . 1 1 48 48 LYS CA C 13 56.883 0.400 . 1 . . . . 48 LYS CA . 15940 1 536 . 1 1 48 48 LYS CB C 13 32.822 0.400 . 1 . . . . 48 LYS CB . 15940 1 537 . 1 1 48 48 LYS CD C 13 29.16 0.400 . 1 . . . . 48 LYS CD . 15940 1 538 . 1 1 48 48 LYS CE C 13 42.01 0.400 . 1 . . . . 48 LYS CE . 15940 1 539 . 1 1 48 48 LYS CG C 13 24.83 0.400 . 1 . . . . 48 LYS CG . 15940 1 540 . 1 1 48 48 LYS N N 15 122.00 0.400 . 1 . . . . 48 LYS N . 15940 1 541 . 1 1 49 49 ILE H H 1 7.774 0.020 . 1 . . . . 49 ILE H . 15940 1 542 . 1 1 49 49 ILE HA H 1 3.817 0.400 . 1 . . . . 49 ILE HA . 15940 1 543 . 1 1 49 49 ILE HB H 1 1.727 0.020 . 1 . . . . 49 ILE HB . 15940 1 544 . 1 1 49 49 ILE HD11 H 1 0.682 0.020 . 1 . . . . 49 ILE MD . 15940 1 545 . 1 1 49 49 ILE HD12 H 1 0.682 0.020 . 1 . . . . 49 ILE MD . 15940 1 546 . 1 1 49 49 ILE HD13 H 1 0.682 0.020 . 1 . . . . 49 ILE MD . 15940 1 547 . 1 1 49 49 ILE HG12 H 1 1.308 0.020 . 2 . . . . 49 ILE HG12 . 15940 1 548 . 1 1 49 49 ILE HG13 H 1 1.638 0.020 . 2 . . . . 49 ILE HG13 . 15940 1 549 . 1 1 49 49 ILE C C 13 176.600 0.400 . 1 . . . . 49 ILE C . 15940 1 550 . 1 1 49 49 ILE CA C 13 61.915 0.400 . 1 . . . . 49 ILE CA . 15940 1 551 . 1 1 49 49 ILE CB C 13 38.325 0.400 . 1 . . . . 49 ILE CB . 15940 1 552 . 1 1 49 49 ILE CD1 C 13 12.85 0.400 . 1 . . . . 49 ILE CD1 . 15940 1 553 . 1 1 49 49 ILE CG1 C 13 27.20 0.400 . 1 . . . . 49 ILE CG1 . 15940 1 554 . 1 1 49 49 ILE CG2 C 13 17.50 0.400 . 1 . . . . 49 ILE CG2 . 15940 1 555 . 1 1 49 49 ILE N N 15 121.00 0.400 . 1 . . . . 49 ILE N . 15940 1 556 . 1 1 50 50 GLN H H 1 8.125 0.020 . 1 . . . . 50 GLN H . 15940 1 557 . 1 1 50 50 GLN HA H 1 4.060 0.400 . 1 . . . . 50 GLN HA . 15940 1 558 . 1 1 50 50 GLN HB2 H 1 1.835 0.020 . 2 . . . . 50 GLN HB2 . 15940 1 559 . 1 1 50 50 GLN HB3 H 1 1.835 0.020 . 2 . . . . 50 GLN HB3 . 15940 1 560 . 1 1 50 50 GLN HG2 H 1 2.159 0.020 . 2 . . . . 50 GLN HG2 . 15940 1 561 . 1 1 50 50 GLN HG3 H 1 2.159 0.020 . 2 . . . . 50 GLN HG3 . 15940 1 562 . 1 1 50 50 GLN C C 13 176.213 0.400 . 1 . . . . 50 GLN C . 15940 1 563 . 1 1 50 50 GLN CA C 13 56.263 0.400 . 1 . . . . 50 GLN CA . 15940 1 564 . 1 1 50 50 GLN CB C 13 28.993 0.400 . 1 . . . . 50 GLN CB . 15940 1 565 . 1 1 50 50 GLN CG C 13 33.59 0.400 . 1 . . . . 50 GLN CG . 15940 1 566 . 1 1 50 50 GLN N N 15 123.80 0.400 . 1 . . . . 50 GLN N . 15940 1 567 . 1 1 51 51 LYS H H 1 8.191 0.020 . 1 . . . . 51 LYS H . 15940 1 568 . 1 1 51 51 LYS HA H 1 4.000 0.400 . 1 . . . . 51 LYS HA . 15940 1 569 . 1 1 51 51 LYS HB2 H 1 1.581 0.020 . 2 . . . . 51 LYS HB2 . 15940 1 570 . 1 1 51 51 LYS HB3 H 1 1.581 0.020 . 2 . . . . 51 LYS HB3 . 15940 1 571 . 1 1 51 51 LYS HD2 H 1 1.476 0.020 . 2 . . . . 51 LYS HD2 . 15940 1 572 . 1 1 51 51 LYS HD3 H 1 1.476 0.020 . 2 . . . . 51 LYS HD3 . 15940 1 573 . 1 1 51 51 LYS HE2 H 1 2.739 0.020 . 2 . . . . 51 LYS HE2 . 15940 1 574 . 1 1 51 51 LYS HE3 H 1 2.739 0.020 . 2 . . . . 51 LYS HE3 . 15940 1 575 . 1 1 51 51 LYS HG2 H 1 1.196 0.020 . 2 . . . . 51 LYS HG2 . 15940 1 576 . 1 1 51 51 LYS HG3 H 1 1.196 0.020 . 2 . . . . 51 LYS HG3 . 15940 1 577 . 1 1 51 51 LYS C C 13 176.829 0.400 . 1 . . . . 51 LYS C . 15940 1 578 . 1 1 51 51 LYS CA C 13 56.786 0.400 . 1 . . . . 51 LYS CA . 15940 1 579 . 1 1 51 51 LYS CB C 13 32.637 0.400 . 1 . . . . 51 LYS CB . 15940 1 580 . 1 1 51 51 LYS CD C 13 28.87 0.400 . 1 . . . . 51 LYS CD . 15940 1 581 . 1 1 51 51 LYS CE C 13 41.93 0.400 . 1 . . . . 51 LYS CE . 15940 1 582 . 1 1 51 51 LYS CG C 13 24.49 0.400 . 1 . . . . 51 LYS CG . 15940 1 583 . 1 1 51 51 LYS N N 15 122.90 0.400 . 1 . . . . 51 LYS N . 15940 1 584 . 1 1 52 52 ASP H H 1 8.223 0.020 . 1 . . . . 52 ASP H . 15940 1 585 . 1 1 52 52 ASP HA H 1 4.322 0.400 . 1 . . . . 52 ASP HA . 15940 1 586 . 1 1 52 52 ASP HB2 H 1 2.464 0.020 . 2 . . . . 52 ASP HB2 . 15940 1 587 . 1 1 52 52 ASP HB3 H 1 2.464 0.020 . 2 . . . . 52 ASP HB3 . 15940 1 588 . 1 1 52 52 ASP C C 13 176.715 0.400 . 1 . . . . 52 ASP C . 15940 1 589 . 1 1 52 52 ASP CA C 13 55.047 0.400 . 1 . . . . 52 ASP CA . 15940 1 590 . 1 1 52 52 ASP CB C 13 40.667 0.400 . 1 . . . . 52 ASP CB . 15940 1 591 . 1 1 52 52 ASP N N 15 120.90 0.400 . 1 . . . . 52 ASP N . 15940 1 592 . 1 1 53 53 LYS HA H 1 4.082 0.400 . 1 . . . . 53 LYS HA . 15940 1 593 . 1 1 53 53 LYS HB2 H 1 1.573 0.020 . 2 . . . . 53 LYS HB2 . 15940 1 594 . 1 1 53 53 LYS HB3 H 1 1.573 0.020 . 2 . . . . 53 LYS HB3 . 15940 1 595 . 1 1 53 53 LYS HD2 H 1 1.352 0.020 . 2 . . . . 53 LYS HD2 . 15940 1 596 . 1 1 53 53 LYS HD3 H 1 1.352 0.020 . 2 . . . . 53 LYS HD3 . 15940 1 597 . 1 1 53 53 LYS HE2 H 1 2.770 0.020 . 2 . . . . 53 LYS HE2 . 15940 1 598 . 1 1 53 53 LYS HE3 H 1 2.770 0.020 . 2 . . . . 53 LYS HE3 . 15940 1 599 . 1 1 53 53 LYS HG2 H 1 1.199 0.020 . 2 . . . . 53 LYS HG2 . 15940 1 600 . 1 1 53 53 LYS HG3 H 1 1.199 0.020 . 2 . . . . 53 LYS HG3 . 15940 1 601 . 1 1 53 53 LYS CD C 13 29.02 0.020 . 1 . . . . 53 LYS CD . 15940 1 602 . 1 1 53 53 LYS CE C 13 42.08 0.020 . 1 . . . . 53 LYS CE . 15940 1 603 . 1 1 53 53 LYS CG C 13 24.70 0.020 . 1 . . . . 53 LYS CG . 15940 1 604 . 1 1 54 54 GLU H H 1 8.174 0.020 . 1 . . . . 54 GLU H . 15940 1 605 . 1 1 54 54 GLU HA H 1 3.987 0.400 . 1 . . . . 54 GLU HA . 15940 1 606 . 1 1 54 54 GLU HB2 H 1 2.042 0.020 . 2 . . . . 54 GLU HB2 . 15940 1 607 . 1 1 54 54 GLU HB3 H 1 2.042 0.020 . 2 . . . . 54 GLU HB3 . 15940 1 608 . 1 1 54 54 GLU HG2 H 1 2.011 0.020 . 2 . . . . 54 GLU HG2 . 15940 1 609 . 1 1 54 54 GLU HG3 H 1 2.011 0.020 . 2 . . . . 54 GLU HG3 . 15940 1 610 . 1 1 54 54 GLU C C 13 176.024 0.400 . 1 . . . . 54 GLU C . 15940 1 611 . 1 1 54 54 GLU CA C 13 56.863 0.400 . 1 . . . . 54 GLU CA . 15940 1 612 . 1 1 54 54 GLU CB C 13 30.061 0.400 . 1 . . . . 54 GLU CB . 15940 1 613 . 1 1 54 54 GLU CG C 13 36.29 0.400 . 1 . . . . 54 GLU CG . 15940 1 614 . 1 1 54 54 GLU N N 15 121.40 0.400 . 1 . . . . 54 GLU N . 15940 1 615 . 1 1 55 55 LEU H H 1 7.985 0.020 . 1 . . . . 55 LEU H . 15940 1 616 . 1 1 55 55 LEU HA H 1 4.102 0.400 . 1 . . . . 55 LEU HA . 15940 1 617 . 1 1 55 55 LEU HB2 H 1 1.426 0.020 . 2 . . . . 55 LEU HB2 . 15940 1 618 . 1 1 55 55 LEU HB3 H 1 1.426 0.020 . 2 . . . . 55 LEU HB3 . 15940 1 619 . 1 1 55 55 LEU HD11 H 1 0.698 0.020 . 2 . . . . 55 LEU MD1 . 15940 1 620 . 1 1 55 55 LEU HD12 H 1 0.698 0.020 . 2 . . . . 55 LEU MD1 . 15940 1 621 . 1 1 55 55 LEU HD13 H 1 0.698 0.020 . 2 . . . . 55 LEU MD1 . 15940 1 622 . 1 1 55 55 LEU HD21 H 1 0.698 0.020 . 2 . . . . 55 LEU MD2 . 15940 1 623 . 1 1 55 55 LEU HD22 H 1 0.698 0.020 . 2 . . . . 55 LEU MD2 . 15940 1 624 . 1 1 55 55 LEU HD23 H 1 0.698 0.020 . 2 . . . . 55 LEU MD2 . 15940 1 625 . 1 1 55 55 LEU HG H 1 1.326 0.020 . 1 . . . . 55 LEU HG . 15940 1 626 . 1 1 55 55 LEU C C 13 177.335 0.400 . 1 . . . . 55 LEU C . 15940 1 627 . 1 1 55 55 LEU CA C 13 55.132 0.400 . 1 . . . . 55 LEU CA . 15940 1 628 . 1 1 55 55 LEU CB C 13 42.161 0.400 . 1 . . . . 55 LEU CB . 15940 1 629 . 1 1 55 55 LEU CD1 C 13 24.89 0.400 . 2 . . . . 55 LEU CD1 . 15940 1 630 . 1 1 55 55 LEU CD2 C 13 23.46 0.400 . 2 . . . . 55 LEU CD2 . 15940 1 631 . 1 1 55 55 LEU CG C 13 26.85 0.400 . 1 . . . . 55 LEU CG . 15940 1 632 . 1 1 55 55 LEU N N 15 122.70 0.400 . 1 . . . . 55 LEU N . 15940 1 633 . 1 1 56 56 LYS H H 1 8.103 0.020 . 1 . . . . 56 LYS H . 15940 1 634 . 1 1 56 56 LYS HA H 1 4.327 0.400 . 1 . . . . 56 LYS HA . 15940 1 635 . 1 1 56 56 LYS HB2 H 1 1.613 0.020 . 2 . . . . 56 LYS HB2 . 15940 1 636 . 1 1 56 56 LYS HB3 H 1 1.613 0.020 . 2 . . . . 56 LYS HB3 . 15940 1 637 . 1 1 56 56 LYS HD2 H 1 1.454 0.020 . 2 . . . . 56 LYS HD2 . 15940 1 638 . 1 1 56 56 LYS HD3 H 1 1.454 0.020 . 2 . . . . 56 LYS HD3 . 15940 1 639 . 1 1 56 56 LYS HE2 H 1 3.009 0.020 . 2 . . . . 56 LYS HE2 . 15940 1 640 . 1 1 56 56 LYS HE3 H 1 3.009 0.020 . 2 . . . . 56 LYS HE3 . 15940 1 641 . 1 1 56 56 LYS HG2 H 1 1.222 0.020 . 2 . . . . 56 LYS HG2 . 15940 1 642 . 1 1 56 56 LYS HG3 H 1 1.222 0.020 . 2 . . . . 56 LYS HG3 . 15940 1 643 . 1 1 56 56 LYS C C 13 177.977 0.400 . 1 . . . . 56 LYS C . 15940 1 644 . 1 1 56 56 LYS CA C 13 56.095 0.400 . 1 . . . . 56 LYS CA . 15940 1 645 . 1 1 56 56 LYS CB C 13 32.816 0.400 . 1 . . . . 56 LYS CB . 15940 1 646 . 1 1 56 56 LYS CD C 13 29.64 0.400 . 1 . . . . 56 LYS CD . 15940 1 647 . 1 1 56 56 LYS N N 15 122.10 0.400 . 1 . . . . 56 LYS N . 15940 1 648 . 1 1 57 57 GLU H H 1 8.107 0.020 . 1 . . . . 57 GLU H . 15940 1 649 . 1 1 57 57 GLU HA H 1 3.965 0.400 . 1 . . . . 57 GLU HA . 15940 1 650 . 1 1 57 57 GLU HB2 H 1 1.828 0.020 . 2 . . . . 57 GLU HB2 . 15940 1 651 . 1 1 57 57 GLU HB3 H 1 1.828 0.020 . 2 . . . . 57 GLU HB3 . 15940 1 652 . 1 1 57 57 GLU HG2 H 1 2.022 0.020 . 2 . . . . 57 GLU HG2 . 15940 1 653 . 1 1 57 57 GLU HG3 H 1 2.022 0.020 . 2 . . . . 57 GLU HG3 . 15940 1 654 . 1 1 57 57 GLU C C 13 176.892 0.400 . 1 . . . . 57 GLU C . 15940 1 655 . 1 1 57 57 GLU CA C 13 56.954 0.400 . 1 . . . . 57 GLU CA . 15940 1 656 . 1 1 57 57 GLU CB C 13 29.791 0.400 . 1 . . . . 57 GLU CB . 15940 1 657 . 1 1 57 57 GLU CG C 13 36.09 0.400 . 1 . . . . 57 GLU CG . 15940 1 658 . 1 1 57 57 GLU N N 15 121.60 0.400 . 1 . . . . 57 GLU N . 15940 1 659 . 1 1 58 58 PHE H H 1 7.926 0.020 . 1 . . . . 58 PHE H . 15940 1 660 . 1 1 58 58 PHE HA H 1 4.446 0.400 . 1 . . . . 58 PHE HA . 15940 1 661 . 1 1 58 58 PHE HB2 H 1 2.994 0.020 . 2 . . . . 58 PHE HB2 . 15940 1 662 . 1 1 58 58 PHE HB3 H 1 2.830 0.020 . 2 . . . . 58 PHE HB3 . 15940 1 663 . 1 1 58 58 PHE C C 13 175.364 0.400 . 1 . . . . 58 PHE C . 15940 1 664 . 1 1 58 58 PHE CA C 13 57.335 0.400 . 1 . . . . 58 PHE CA . 15940 1 665 . 1 1 58 58 PHE CB C 13 39.569 0.400 . 1 . . . . 58 PHE CB . 15940 1 666 . 1 1 58 58 PHE N N 15 119.30 0.400 . 1 . . . . 58 PHE N . 15940 1 667 . 1 1 59 59 GLU H H 1 8.808 0.020 . 1 . . . . 59 GLU H . 15940 1 668 . 1 1 59 59 GLU HA H 1 4.113 0.400 . 1 . . . . 59 GLU HA . 15940 1 669 . 1 1 59 59 GLU HB2 H 1 1.755 0.020 . 2 . . . . 59 GLU HB2 . 15940 1 670 . 1 1 59 59 GLU HB3 H 1 1.755 0.020 . 2 . . . . 59 GLU HB3 . 15940 1 671 . 1 1 59 59 GLU HG2 H 1 2.014 0.020 . 2 . . . . 59 GLU HG2 . 15940 1 672 . 1 1 59 59 GLU HG3 H 1 2.014 0.020 . 2 . . . . 59 GLU HG3 . 15940 1 673 . 1 1 59 59 GLU C C 13 175.157 0.400 . 1 . . . . 59 GLU C . 15940 1 674 . 1 1 59 59 GLU CA C 13 56.604 0.400 . 1 . . . . 59 GLU CA . 15940 1 675 . 1 1 59 59 GLU CB C 13 30.404 0.400 . 1 . . . . 59 GLU CB . 15940 1 676 . 1 1 59 59 GLU CG C 13 36.33 0.400 . 1 . . . . 59 GLU CG . 15940 1 677 . 1 1 59 59 GLU N N 15 122.60 0.400 . 1 . . . . 59 GLU N . 15940 1 678 . 1 1 60 60 CYS H H 1 7.785 0.030 . 1 . . . . 60 CYS H . 15940 1 679 . 1 1 60 60 CYS C C 13 178.564 0.400 . 1 . . . . 60 CYS C . 15940 1 680 . 1 1 60 60 CYS CA C 13 59.289 0.400 . 1 . . . . 60 CYS CA . 15940 1 681 . 1 1 60 60 CYS CB C 13 28.944 0.400 . 1 . . . . 60 CYS CB . 15940 1 682 . 1 1 60 60 CYS N N 15 124.00 0.400 . 1 . . . . 60 CYS N . 15940 1 stop_ save_