data_4996 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4996 _Entry.Title ; NMR-Based Structure of the Conserved Protein MTH865 from the Archea Methanobacterium thermoautotrophicum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-04-20 _Entry.Accession_date 2001-04-23 _Entry.Last_release_date 2001-10-08 _Entry.Original_release_date 2001-10-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Gregory Lee . M. . 4996 2 Aled Edwards . M. . 4996 3 Cheryl Arrowsmith . H. . 4996 4 Lawrence McIntosh . P. . 4996 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4996 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 540 4996 '13C chemical shifts' 324 4996 '15N chemical shifts' 81 4996 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-10-08 2001-04-20 original author . 4996 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4996 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: NMR-Based Structure of the Conserved Protein MTH865 from the Archaeon Methanobacterium thermoautotrophicum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 1 _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 63 _Citation.Page_last 66 _Citation.Year 2001 _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 Gregory Lee . M. . 4996 1 2 Aled Edwards . M. . 4996 1 3 Cheryl Arrowsmith . H. . 4996 1 4 Lawrence McIntosh . P. . 4996 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'helical bundle' 4996 1 'heternuclear NMR' 4996 1 'structural proteomics' 4996 1 'Methanobacterium thermoautotrophicum' 4996 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTH865 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTH865 _Assembly.Entry_ID 4996 _Assembly.ID 1 _Assembly.Name MTH865 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4996 1 stop_ 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 MTH865 1 $MTH865 . . . native . . . . . 4996 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1IIO . . . . . . 4996 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MTH865 system 4996 1 MTH865 abbreviation 4996 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'conserved archeal protein' 4996 1 'unknown function' 4996 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTH865 _Entity.Sf_category entity _Entity.Sf_framecode MTH865 _Entity.Entry_ID 4996 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Methanobacterium thermoautotrophicum open reading frame 865' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMKMGVKEDIRGQIIGAL AGADFPINSPEELMAALPNG PDTTCKSGDVELKASDAGQV LTADDFPFKSAEEVADTIVN KAGL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8675 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Includes GSH at N-terminal from proteolytic cleavage of His6-affinity tag. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1IIO . "Nmr-Based Structure Of The Conserved Protein Mth865 From The Archea Methanobacterium Thermoautotrophicum" . . . . . 100.00 84 100.00 100.00 2.32e-52 . . . . 4996 1 2 no DBJ BAM70032 . "conserved hypothetical protein [Methanothermobacter thermautotrophicus CaT2]" . . . . . 94.05 79 100.00 100.00 6.20e-48 . . . . 4996 1 3 no EMBL CAA48863 . "unnamed protein product [Methanothermobacter thermautotrophicus]" . . . . . 94.05 79 100.00 100.00 6.20e-48 . . . . 4996 1 4 no EMBL CAA48865 . "unnamed protein product [Methanothermobacter thermautotrophicus]" . . . . . 94.05 79 100.00 100.00 6.20e-48 . . . . 4996 1 5 no GB AAB85363 . "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 96.43 81 100.00 100.00 1.47e-49 . . . . 4996 1 6 no REF NP_276002 . "hypothetical protein MTH865 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 96.43 81 100.00 100.00 1.47e-49 . . . . 4996 1 7 no REF WP_010876498 . "hypothetical protein [Methanothermobacter thermautotrophicus]" . . . . . 96.43 81 100.00 100.00 1.47e-49 . . . . 4996 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Methanobacterium thermoautotrophicum open reading frame 865' common 4996 1 MTH865 abbreviation 4996 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 -3 GLY . 4996 1 2 -2 SER . 4996 1 3 -1 HIS . 4996 1 4 1 MET . 4996 1 5 2 LYS . 4996 1 6 3 MET . 4996 1 7 4 GLY . 4996 1 8 5 VAL . 4996 1 9 6 LYS . 4996 1 10 7 GLU . 4996 1 11 8 ASP . 4996 1 12 9 ILE . 4996 1 13 10 ARG . 4996 1 14 11 GLY . 4996 1 15 12 GLN . 4996 1 16 13 ILE . 4996 1 17 14 ILE . 4996 1 18 15 GLY . 4996 1 19 16 ALA . 4996 1 20 17 LEU . 4996 1 21 18 ALA . 4996 1 22 19 GLY . 4996 1 23 20 ALA . 4996 1 24 21 ASP . 4996 1 25 22 PHE . 4996 1 26 23 PRO . 4996 1 27 24 ILE . 4996 1 28 25 ASN . 4996 1 29 26 SER . 4996 1 30 27 PRO . 4996 1 31 28 GLU . 4996 1 32 29 GLU . 4996 1 33 30 LEU . 4996 1 34 31 MET . 4996 1 35 32 ALA . 4996 1 36 33 ALA . 4996 1 37 34 LEU . 4996 1 38 35 PRO . 4996 1 39 36 ASN . 4996 1 40 37 GLY . 4996 1 41 38 PRO . 4996 1 42 39 ASP . 4996 1 43 40 THR . 4996 1 44 41 THR . 4996 1 45 42 CYS . 4996 1 46 43 LYS . 4996 1 47 44 SER . 4996 1 48 45 GLY . 4996 1 49 46 ASP . 4996 1 50 47 VAL . 4996 1 51 48 GLU . 4996 1 52 49 LEU . 4996 1 53 50 LYS . 4996 1 54 51 ALA . 4996 1 55 52 SER . 4996 1 56 53 ASP . 4996 1 57 54 ALA . 4996 1 58 55 GLY . 4996 1 59 56 GLN . 4996 1 60 57 VAL . 4996 1 61 58 LEU . 4996 1 62 59 THR . 4996 1 63 60 ALA . 4996 1 64 61 ASP . 4996 1 65 62 ASP . 4996 1 66 63 PHE . 4996 1 67 64 PRO . 4996 1 68 65 PHE . 4996 1 69 66 LYS . 4996 1 70 67 SER . 4996 1 71 68 ALA . 4996 1 72 69 GLU . 4996 1 73 70 GLU . 4996 1 74 71 VAL . 4996 1 75 72 ALA . 4996 1 76 73 ASP . 4996 1 77 74 THR . 4996 1 78 75 ILE . 4996 1 79 76 VAL . 4996 1 80 77 ASN . 4996 1 81 78 LYS . 4996 1 82 79 ALA . 4996 1 83 80 GLY . 4996 1 84 81 LEU . 4996 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 . GLY 1 1 4996 1 . SER 2 2 4996 1 . HIS 3 3 4996 1 . MET 4 4 4996 1 . LYS 5 5 4996 1 . MET 6 6 4996 1 . GLY 7 7 4996 1 . VAL 8 8 4996 1 . LYS 9 9 4996 1 . GLU 10 10 4996 1 . ASP 11 11 4996 1 . ILE 12 12 4996 1 . ARG 13 13 4996 1 . GLY 14 14 4996 1 . GLN 15 15 4996 1 . ILE 16 16 4996 1 . ILE 17 17 4996 1 . GLY 18 18 4996 1 . ALA 19 19 4996 1 . LEU 20 20 4996 1 . ALA 21 21 4996 1 . GLY 22 22 4996 1 . ALA 23 23 4996 1 . ASP 24 24 4996 1 . PHE 25 25 4996 1 . PRO 26 26 4996 1 . ILE 27 27 4996 1 . ASN 28 28 4996 1 . SER 29 29 4996 1 . PRO 30 30 4996 1 . GLU 31 31 4996 1 . GLU 32 32 4996 1 . LEU 33 33 4996 1 . MET 34 34 4996 1 . ALA 35 35 4996 1 . ALA 36 36 4996 1 . LEU 37 37 4996 1 . PRO 38 38 4996 1 . ASN 39 39 4996 1 . GLY 40 40 4996 1 . PRO 41 41 4996 1 . ASP 42 42 4996 1 . THR 43 43 4996 1 . THR 44 44 4996 1 . CYS 45 45 4996 1 . LYS 46 46 4996 1 . SER 47 47 4996 1 . GLY 48 48 4996 1 . ASP 49 49 4996 1 . VAL 50 50 4996 1 . GLU 51 51 4996 1 . LEU 52 52 4996 1 . LYS 53 53 4996 1 . ALA 54 54 4996 1 . SER 55 55 4996 1 . ASP 56 56 4996 1 . ALA 57 57 4996 1 . GLY 58 58 4996 1 . GLN 59 59 4996 1 . VAL 60 60 4996 1 . LEU 61 61 4996 1 . THR 62 62 4996 1 . ALA 63 63 4996 1 . ASP 64 64 4996 1 . ASP 65 65 4996 1 . PHE 66 66 4996 1 . PRO 67 67 4996 1 . PHE 68 68 4996 1 . LYS 69 69 4996 1 . SER 70 70 4996 1 . ALA 71 71 4996 1 . GLU 72 72 4996 1 . GLU 73 73 4996 1 . VAL 74 74 4996 1 . ALA 75 75 4996 1 . ASP 76 76 4996 1 . THR 77 77 4996 1 . ILE 78 78 4996 1 . VAL 79 79 4996 1 . ASN 80 80 4996 1 . LYS 81 81 4996 1 . ALA 82 82 4996 1 . GLY 83 83 4996 1 . LEU 84 84 4996 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 4996 _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 $MTH865 . 145262 organism . 'Methanothermobacter thermautotrophicus' 'Methanothermobacter thermautotrophicus' . . Archaea Euryarchaeota Methanothermobacter thermautotrophicus . . . . . . . . . . . . . . . . . . . . . 4996 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 4996 _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 $MTH865 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET15b . . . . . . 4996 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labeled_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N-labeled_sample _Sample.Entry_ID 4996 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Methanobacterium thermoautotrophicum open reading frame 865' '[U-100% 15N]' . . 1 $MTH865 . . 0.5 . . mM . . . . 4996 1 stop_ save_ save_13C_15N-labeled_sample _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N-labeled_sample _Sample.Entry_ID 4996 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Methanobacterium thermoautotrophicum open reading frame 865' '[U-100% 13C; U-100% 15N]' . . 1 $MTH865 . . 0.5 . . mM . . . . 4996 2 stop_ save_ save_10%_13C-labeled_sample _Sample.Sf_category sample _Sample.Sf_framecode 10%_13C-labeled_sample _Sample.Entry_ID 4996 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Methanobacterium thermoautotrophicum open reading frame 865' '[U-10% 13C; U-100% 15N]' . . 1 $MTH865 . . 0.5 . . mM . . . . 4996 3 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4996 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.51 0.05 n/a 4996 1 temperature 303 2 K 4996 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 4996 _Software.ID 1 _Software.Name Felix _Software.Version 2000 _Software.Details ; Molecular Simulations, Inc., San Diego, CA ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'raw data processing' 4996 1 'peak picking' 4996 1 'peak assignments' 4996 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4996 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4996 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 4996 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4996 _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 NMR_spectrometer_1 Varian UNITY . 500 . . . 4996 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 4996 1 3 NMR_spectrometer_3 Varian INOVA . 800 . . . 4996 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 4996 _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 '500MHz Unity housed at Univ. of British Columbia' . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 4996 1 2 '600MHz INOVA housed at Univ. of Toronto' . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 4996 1 3 '800MHz INOVA housed at Univ. of Alberta' . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 4996 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4996 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4996 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4996 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4996 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_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts _Assigned_chem_shift_list.Entry_ID 4996 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 'Residues Gly-3 to Met1 unobserved in the spectra.' _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 $15N-labeled_sample . 4996 1 . . 2 $13C_15N-labeled_sample . 4996 1 . . 3 $10%_13C-labeled_sample . 4996 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 5 5 LYS H H 1 8.411 0.020 . 1 . . . . . . . . 4996 1 2 . 1 1 5 5 LYS HA H 1 4.302 0.020 . 1 . . . . . . . . 4996 1 3 . 1 1 5 5 LYS HB2 H 1 1.846 0.020 . 2 . . . . . . . . 4996 1 4 . 1 1 5 5 LYS HB3 H 1 1.779 0.020 . 2 . . . . . . . . 4996 1 5 . 1 1 5 5 LYS HG2 H 1 1.446 0.020 . 2 . . . . . . . . 4996 1 6 . 1 1 5 5 LYS HG3 H 1 1.498 0.020 . 2 . . . . . . . . 4996 1 7 . 1 1 5 5 LYS HD2 H 1 1.712 0.020 . 1 . . . . . . . . 4996 1 8 . 1 1 5 5 LYS HD3 H 1 1.712 0.020 . 1 . . . . . . . . 4996 1 9 . 1 1 5 5 LYS HE2 H 1 3.074 0.020 . 1 . . . . . . . . 4996 1 10 . 1 1 5 5 LYS HE3 H 1 3.074 0.020 . 1 . . . . . . . . 4996 1 11 . 1 1 5 5 LYS C C 13 176.445 0.300 . 1 . . . . . . . . 4996 1 12 . 1 1 5 5 LYS CA C 13 56.225 0.300 . 1 . . . . . . . . 4996 1 13 . 1 1 5 5 LYS CB C 13 33.012 0.300 . 1 . . . . . . . . 4996 1 14 . 1 1 5 5 LYS CG C 13 24.058 0.300 . 1 . . . . . . . . 4996 1 15 . 1 1 5 5 LYS CD C 13 29.065 0.300 . 1 . . . . . . . . 4996 1 16 . 1 1 5 5 LYS CE C 13 42.304 0.300 . 1 . . . . . . . . 4996 1 17 . 1 1 5 5 LYS N N 15 122.806 0.200 . 1 . . . . . . . . 4996 1 18 . 1 1 6 6 MET H H 1 8.391 0.020 . 1 . . . . . . . . 4996 1 19 . 1 1 6 6 MET HA H 1 4.413 0.020 . 1 . . . . . . . . 4996 1 20 . 1 1 6 6 MET HB2 H 1 2.025 0.020 . 1 . . . . . . . . 4996 1 21 . 1 1 6 6 MET HB3 H 1 2.025 0.020 . 1 . . . . . . . . 4996 1 22 . 1 1 6 6 MET HG2 H 1 2.567 0.020 . 1 . . . . . . . . 4996 1 23 . 1 1 6 6 MET HG3 H 1 2.567 0.020 . 1 . . . . . . . . 4996 1 24 . 1 1 6 6 MET HE1 H 1 2.069 0.020 . 1 . . . . . . . . 4996 1 25 . 1 1 6 6 MET HE2 H 1 2.069 0.020 . 1 . . . . . . . . 4996 1 26 . 1 1 6 6 MET HE3 H 1 2.069 0.020 . 1 . . . . . . . . 4996 1 27 . 1 1 6 6 MET C C 13 176.610 0.300 . 1 . . . . . . . . 4996 1 28 . 1 1 6 6 MET CA C 13 56.031 0.300 . 1 . . . . . . . . 4996 1 29 . 1 1 6 6 MET CB C 13 33.645 0.300 . 1 . . . . . . . . 4996 1 30 . 1 1 6 6 MET CG C 13 31.965 0.300 . 1 . . . . . . . . 4996 1 31 . 1 1 6 6 MET CE C 13 17.131 0.300 . 1 . . . . . . . . 4996 1 32 . 1 1 6 6 MET N N 15 122.119 0.200 . 1 . . . . . . . . 4996 1 33 . 1 1 7 7 GLY H H 1 8.545 0.020 . 1 . . . . . . . . 4996 1 34 . 1 1 7 7 GLY HA2 H 1 4.012 0.020 . 2 . . . . . . . . 4996 1 35 . 1 1 7 7 GLY HA3 H 1 4.101 0.020 . 2 . . . . . . . . 4996 1 36 . 1 1 7 7 GLY C C 13 175.346 0.300 . 1 . . . . . . . . 4996 1 37 . 1 1 7 7 GLY CA C 13 45.254 0.300 . 1 . . . . . . . . 4996 1 38 . 1 1 7 7 GLY N N 15 110.963 0.200 . 1 . . . . . . . . 4996 1 39 . 1 1 8 8 VAL H H 1 7.964 0.020 . 1 . . . . . . . . 4996 1 40 . 1 1 8 8 VAL HA H 1 3.864 0.020 . 1 . . . . . . . . 4996 1 41 . 1 1 8 8 VAL HB H 1 2.069 0.020 . 1 . . . . . . . . 4996 1 42 . 1 1 8 8 VAL HG11 H 1 0.975 0.020 . 1 . . . . . . . . 4996 1 43 . 1 1 8 8 VAL HG12 H 1 0.975 0.020 . 1 . . . . . . . . 4996 1 44 . 1 1 8 8 VAL HG13 H 1 0.975 0.020 . 1 . . . . . . . . 4996 1 45 . 1 1 8 8 VAL HG21 H 1 1.064 0.020 . 1 . . . . . . . . 4996 1 46 . 1 1 8 8 VAL HG22 H 1 1.064 0.020 . 1 . . . . . . . . 4996 1 47 . 1 1 8 8 VAL HG23 H 1 1.064 0.020 . 1 . . . . . . . . 4996 1 48 . 1 1 8 8 VAL C C 13 177.882 0.300 . 1 . . . . . . . . 4996 1 49 . 1 1 8 8 VAL CA C 13 65.460 0.300 . 1 . . . . . . . . 4996 1 50 . 1 1 8 8 VAL CB C 13 32.300 0.300 . 1 . . . . . . . . 4996 1 51 . 1 1 8 8 VAL CG1 C 13 21.746 0.300 . 1 . . . . . . . . 4996 1 52 . 1 1 8 8 VAL CG2 C 13 22.118 0.300 . 1 . . . . . . . . 4996 1 53 . 1 1 8 8 VAL N N 15 120.588 0.200 . 1 . . . . . . . . 4996 1 54 . 1 1 9 9 LYS H H 1 8.358 0.020 . 1 . . . . . . . . 4996 1 55 . 1 1 9 9 LYS HA H 1 3.605 0.020 . 1 . . . . . . . . 4996 1 56 . 1 1 9 9 LYS HB2 H 1 1.824 0.020 . 2 . . . . . . . . 4996 1 57 . 1 1 9 9 LYS HB3 H 1 1.758 0.020 . 2 . . . . . . . . 4996 1 58 . 1 1 9 9 LYS HG2 H 1 1.198 0.020 . 2 . . . . . . . . 4996 1 59 . 1 1 9 9 LYS HG3 H 1 1.148 0.020 . 2 . . . . . . . . 4996 1 60 . 1 1 9 9 LYS HD2 H 1 1.644 0.020 . 1 . . . . . . . . 4996 1 61 . 1 1 9 9 LYS HD3 H 1 1.644 0.020 . 1 . . . . . . . . 4996 1 62 . 1 1 9 9 LYS HE2 H 1 2.737 0.020 . 2 . . . . . . . . 4996 1 63 . 1 1 9 9 LYS HE3 H 1 2.895 0.020 . 2 . . . . . . . . 4996 1 64 . 1 1 9 9 LYS C C 13 177.533 0.300 . 1 . . . . . . . . 4996 1 65 . 1 1 9 9 LYS CA C 13 60.818 0.300 . 1 . . . . . . . . 4996 1 66 . 1 1 9 9 LYS CB C 13 32.401 0.300 . 1 . . . . . . . . 4996 1 67 . 1 1 9 9 LYS CG C 13 25.152 0.300 . 1 . . . . . . . . 4996 1 68 . 1 1 9 9 LYS CD C 13 29.537 0.300 . 1 . . . . . . . . 4996 1 69 . 1 1 9 9 LYS CE C 13 42.297 0.300 . 1 . . . . . . . . 4996 1 70 . 1 1 9 9 LYS N N 15 119.275 0.200 . 1 . . . . . . . . 4996 1 71 . 1 1 10 10 GLU H H 1 8.192 0.020 . 1 . . . . . . . . 4996 1 72 . 1 1 10 10 GLU HA H 1 3.915 0.020 . 1 . . . . . . . . 4996 1 73 . 1 1 10 10 GLU HB2 H 1 2.001 0.020 . 1 . . . . . . . . 4996 1 74 . 1 1 10 10 GLU HB3 H 1 2.001 0.020 . 1 . . . . . . . . 4996 1 75 . 1 1 10 10 GLU HG2 H 1 2.287 0.020 . 2 . . . . . . . . 4996 1 76 . 1 1 10 10 GLU HG3 H 1 2.443 0.020 . 2 . . . . . . . . 4996 1 77 . 1 1 10 10 GLU C C 13 179.161 0.300 . 1 . . . . . . . . 4996 1 78 . 1 1 10 10 GLU CA C 13 59.310 0.300 . 1 . . . . . . . . 4996 1 79 . 1 1 10 10 GLU CB C 13 29.211 0.300 . 1 . . . . . . . . 4996 1 80 . 1 1 10 10 GLU CG C 13 36.816 0.300 . 1 . . . . . . . . 4996 1 81 . 1 1 10 10 GLU N N 15 116.650 0.200 . 1 . . . . . . . . 4996 1 82 . 1 1 11 11 ASP H H 1 8.213 0.020 . 1 . . . . . . . . 4996 1 83 . 1 1 11 11 ASP HA H 1 4.503 0.020 . 1 . . . . . . . . 4996 1 84 . 1 1 11 11 ASP HB2 H 1 2.905 0.020 . 2 . . . . . . . . 4996 1 85 . 1 1 11 11 ASP HB3 H 1 2.805 0.020 . 2 . . . . . . . . 4996 1 86 . 1 1 11 11 ASP C C 13 179.048 0.300 . 1 . . . . . . . . 4996 1 87 . 1 1 11 11 ASP CA C 13 56.317 0.300 . 1 . . . . . . . . 4996 1 88 . 1 1 11 11 ASP CB C 13 41.281 0.300 . 1 . . . . . . . . 4996 1 89 . 1 1 11 11 ASP N N 15 121.463 0.200 . 1 . . . . . . . . 4996 1 90 . 1 1 12 12 ILE H H 1 8.587 0.020 . 1 . . . . . . . . 4996 1 91 . 1 1 12 12 ILE HA H 1 3.386 0.020 . 1 . . . . . . . . 4996 1 92 . 1 1 12 12 ILE HB H 1 1.891 0.020 . 1 . . . . . . . . 4996 1 93 . 1 1 12 12 ILE HG12 H 1 1.094 0.020 . 2 . . . . . . . . 4996 1 94 . 1 1 12 12 ILE HG13 H 1 1.504 0.020 . 2 . . . . . . . . 4996 1 95 . 1 1 12 12 ILE HG21 H 1 0.658 0.020 . 1 . . . . . . . . 4996 1 96 . 1 1 12 12 ILE HG22 H 1 0.658 0.020 . 1 . . . . . . . . 4996 1 97 . 1 1 12 12 ILE HG23 H 1 0.658 0.020 . 1 . . . . . . . . 4996 1 98 . 1 1 12 12 ILE HD11 H 1 0.529 0.020 . 1 . . . . . . . . 4996 1 99 . 1 1 12 12 ILE HD12 H 1 0.529 0.020 . 1 . . . . . . . . 4996 1 100 . 1 1 12 12 ILE HD13 H 1 0.529 0.020 . 1 . . . . . . . . 4996 1 101 . 1 1 12 12 ILE C C 13 177.422 0.300 . 1 . . . . . . . . 4996 1 102 . 1 1 12 12 ILE CA C 13 64.840 0.300 . 1 . . . . . . . . 4996 1 103 . 1 1 12 12 ILE CB C 13 35.879 0.300 . 1 . . . . . . . . 4996 1 104 . 1 1 12 12 ILE CG1 C 13 29.517 0.300 . 1 . . . . . . . . 4996 1 105 . 1 1 12 12 ILE CG2 C 13 17.548 0.300 . 1 . . . . . . . . 4996 1 106 . 1 1 12 12 ILE CD1 C 13 11.702 0.300 . 1 . . . . . . . . 4996 1 107 . 1 1 12 12 ILE N N 15 119.306 0.200 . 1 . . . . . . . . 4996 1 108 . 1 1 13 13 ARG H H 1 8.557 0.020 . 1 . . . . . . . . 4996 1 109 . 1 1 13 13 ARG HA H 1 3.654 0.020 . 1 . . . . . . . . 4996 1 110 . 1 1 13 13 ARG HB2 H 1 1.891 0.020 . 1 . . . . . . . . 4996 1 111 . 1 1 13 13 ARG HB3 H 1 1.980 0.020 . 1 . . . . . . . . 4996 1 112 . 1 1 13 13 ARG HG2 H 1 1.399 0.020 . 1 . . . . . . . . 4996 1 113 . 1 1 13 13 ARG HG3 H 1 1.399 0.020 . 1 . . . . . . . . 4996 1 114 . 1 1 13 13 ARG HD2 H 1 3.211 0.020 . 2 . . . . . . . . 4996 1 115 . 1 1 13 13 ARG HD3 H 1 3.065 0.020 . 2 . . . . . . . . 4996 1 116 . 1 1 13 13 ARG HE H 1 6.516 0.020 . 1 . . . . . . . . 4996 1 117 . 1 1 13 13 ARG C C 13 178.118 0.300 . 1 . . . . . . . . 4996 1 118 . 1 1 13 13 ARG CA C 13 60.449 0.300 . 1 . . . . . . . . 4996 1 119 . 1 1 13 13 ARG CB C 13 30.691 0.300 . 1 . . . . . . . . 4996 1 120 . 1 1 13 13 ARG CG C 13 28.301 0.300 . 1 . . . . . . . . 4996 1 121 . 1 1 13 13 ARG CD C 13 43.346 0.300 . 1 . . . . . . . . 4996 1 122 . 1 1 13 13 ARG N N 15 119.650 0.200 . 1 . . . . . . . . 4996 1 123 . 1 1 13 13 ARG NE N 15 113.835 0.200 . 1 . . . . . . . . 4996 1 124 . 1 1 14 14 GLY H H 1 7.994 0.020 . 1 . . . . . . . . 4996 1 125 . 1 1 14 14 GLY HA2 H 1 4.146 0.020 . 2 . . . . . . . . 4996 1 126 . 1 1 14 14 GLY HA3 H 1 3.788 0.020 . 2 . . . . . . . . 4996 1 127 . 1 1 14 14 GLY C C 13 177.366 0.300 . 1 . . . . . . . . 4996 1 128 . 1 1 14 14 GLY CA C 13 47.162 0.300 . 1 . . . . . . . . 4996 1 129 . 1 1 14 14 GLY N N 15 103.900 0.200 . 1 . . . . . . . . 4996 1 130 . 1 1 15 15 GLN H H 1 8.158 0.020 . 1 . . . . . . . . 4996 1 131 . 1 1 15 15 GLN HA H 1 4.180 0.020 . 1 . . . . . . . . 4996 1 132 . 1 1 15 15 GLN HB2 H 1 2.148 0.020 . 1 . . . . . . . . 4996 1 133 . 1 1 15 15 GLN HB3 H 1 2.337 0.020 . 1 . . . . . . . . 4996 1 134 . 1 1 15 15 GLN HG2 H 1 2.672 0.020 . 2 . . . . . . . . 4996 1 135 . 1 1 15 15 GLN HG3 H 1 2.394 0.020 . 2 . . . . . . . . 4996 1 136 . 1 1 15 15 GLN HE21 H 1 7.238 0.020 . 1 . . . . . . . . 4996 1 137 . 1 1 15 15 GLN HE22 H 1 7.070 0.020 . 1 . . . . . . . . 4996 1 138 . 1 1 15 15 GLN C C 13 179.427 0.300 . 1 . . . . . . . . 4996 1 139 . 1 1 15 15 GLN CA C 13 58.864 0.300 . 1 . . . . . . . . 4996 1 140 . 1 1 15 15 GLN CB C 13 29.795 0.300 . 1 . . . . . . . . 4996 1 141 . 1 1 15 15 GLN CG C 13 35.168 0.300 . 1 . . . . . . . . 4996 1 142 . 1 1 15 15 GLN N N 15 122.931 0.200 . 1 . . . . . . . . 4996 1 143 . 1 1 15 15 GLN NE2 N 15 112.494 0.200 . 1 . . . . . . . . 4996 1 144 . 1 1 16 16 ILE H H 1 8.292 0.020 . 1 . . . . . . . . 4996 1 145 . 1 1 16 16 ILE HA H 1 3.418 0.020 . 1 . . . . . . . . 4996 1 146 . 1 1 16 16 ILE HB H 1 1.882 0.020 . 1 . . . . . . . . 4996 1 147 . 1 1 16 16 ILE HG12 H 1 2.025 0.020 . 1 . . . . . . . . 4996 1 148 . 1 1 16 16 ILE HG13 H 1 2.025 0.020 . 1 . . . . . . . . 4996 1 149 . 1 1 16 16 ILE HG21 H 1 0.640 0.020 . 1 . . . . . . . . 4996 1 150 . 1 1 16 16 ILE HG22 H 1 0.640 0.020 . 1 . . . . . . . . 4996 1 151 . 1 1 16 16 ILE HG23 H 1 0.640 0.020 . 1 . . . . . . . . 4996 1 152 . 1 1 16 16 ILE HD11 H 1 0.685 0.020 . 1 . . . . . . . . 4996 1 153 . 1 1 16 16 ILE HD12 H 1 0.685 0.020 . 1 . . . . . . . . 4996 1 154 . 1 1 16 16 ILE HD13 H 1 0.685 0.020 . 1 . . . . . . . . 4996 1 155 . 1 1 16 16 ILE C C 13 176.821 0.300 . 1 . . . . . . . . 4996 1 156 . 1 1 16 16 ILE CA C 13 65.809 0.300 . 1 . . . . . . . . 4996 1 157 . 1 1 16 16 ILE CB C 13 37.740 0.300 . 1 . . . . . . . . 4996 1 158 . 1 1 16 16 ILE CG1 C 13 29.667 0.300 . 1 . . . . . . . . 4996 1 159 . 1 1 16 16 ILE CG2 C 13 17.608 0.300 . 1 . . . . . . . . 4996 1 160 . 1 1 16 16 ILE CD1 C 13 14.605 0.300 . 1 . . . . . . . . 4996 1 161 . 1 1 16 16 ILE N N 15 122.440 0.200 . 1 . . . . . . . . 4996 1 162 . 1 1 17 17 ILE H H 1 7.860 0.020 . 1 . . . . . . . . 4996 1 163 . 1 1 17 17 ILE HA H 1 3.364 0.020 . 1 . . . . . . . . 4996 1 164 . 1 1 17 17 ILE HB H 1 1.801 0.020 . 1 . . . . . . . . 4996 1 165 . 1 1 17 17 ILE HG12 H 1 1.742 0.020 . 2 . . . . . . . . 4996 1 166 . 1 1 17 17 ILE HG13 H 1 0.512 0.020 . 2 . . . . . . . . 4996 1 167 . 1 1 17 17 ILE HG21 H 1 0.822 0.020 . 1 . . . . . . . . 4996 1 168 . 1 1 17 17 ILE HG22 H 1 0.822 0.020 . 1 . . . . . . . . 4996 1 169 . 1 1 17 17 ILE HG23 H 1 0.822 0.020 . 1 . . . . . . . . 4996 1 170 . 1 1 17 17 ILE HD11 H 1 0.819 0.020 . 1 . . . . . . . . 4996 1 171 . 1 1 17 17 ILE HD12 H 1 0.819 0.020 . 1 . . . . . . . . 4996 1 172 . 1 1 17 17 ILE HD13 H 1 0.819 0.020 . 1 . . . . . . . . 4996 1 173 . 1 1 17 17 ILE C C 13 179.497 0.300 . 1 . . . . . . . . 4996 1 174 . 1 1 17 17 ILE CA C 13 66.327 0.300 . 1 . . . . . . . . 4996 1 175 . 1 1 17 17 ILE CB C 13 38.377 0.300 . 1 . . . . . . . . 4996 1 176 . 1 1 17 17 ILE CG1 C 13 30.239 0.300 . 1 . . . . . . . . 4996 1 177 . 1 1 17 17 ILE CG2 C 13 17.417 0.300 . 1 . . . . . . . . 4996 1 178 . 1 1 17 17 ILE CD1 C 13 14.616 0.300 . 1 . . . . . . . . 4996 1 179 . 1 1 17 17 ILE N N 15 118.088 0.200 . 1 . . . . . . . . 4996 1 180 . 1 1 18 18 GLY H H 1 8.234 0.020 . 1 . . . . . . . . 4996 1 181 . 1 1 18 18 GLY HA2 H 1 3.878 0.020 . 1 . . . . . . . . 4996 1 182 . 1 1 18 18 GLY HA3 H 1 3.878 0.020 . 1 . . . . . . . . 4996 1 183 . 1 1 18 18 GLY C C 13 176.565 0.300 . 1 . . . . . . . . 4996 1 184 . 1 1 18 18 GLY CA C 13 47.072 0.300 . 1 . . . . . . . . 4996 1 185 . 1 1 18 18 GLY N N 15 105.306 0.200 . 1 . . . . . . . . 4996 1 186 . 1 1 19 19 ALA H H 1 7.933 0.020 . 1 . . . . . . . . 4996 1 187 . 1 1 19 19 ALA HA H 1 4.257 0.020 . 1 . . . . . . . . 4996 1 188 . 1 1 19 19 ALA HB1 H 1 1.446 0.020 . 1 . . . . . . . . 4996 1 189 . 1 1 19 19 ALA HB2 H 1 1.446 0.020 . 1 . . . . . . . . 4996 1 190 . 1 1 19 19 ALA HB3 H 1 1.446 0.020 . 1 . . . . . . . . 4996 1 191 . 1 1 19 19 ALA C C 13 178.025 0.300 . 1 . . . . . . . . 4996 1 192 . 1 1 19 19 ALA CA C 13 53.755 0.300 . 1 . . . . . . . . 4996 1 193 . 1 1 19 19 ALA CB C 13 18.355 0.300 . 1 . . . . . . . . 4996 1 194 . 1 1 19 19 ALA N N 15 123.744 0.200 . 1 . . . . . . . . 4996 1 195 . 1 1 20 20 LEU H H 1 7.288 0.020 . 1 . . . . . . . . 4996 1 196 . 1 1 20 20 LEU HA H 1 4.493 0.020 . 1 . . . . . . . . 4996 1 197 . 1 1 20 20 LEU HB2 H 1 1.820 0.020 . 1 . . . . . . . . 4996 1 198 . 1 1 20 20 LEU HB3 H 1 1.945 0.020 . 1 . . . . . . . . 4996 1 199 . 1 1 20 20 LEU HG H 1 1.690 0.020 . 1 . . . . . . . . 4996 1 200 . 1 1 20 20 LEU HD11 H 1 0.819 0.020 . 1 . . . . . . . . 4996 1 201 . 1 1 20 20 LEU HD12 H 1 0.819 0.020 . 1 . . . . . . . . 4996 1 202 . 1 1 20 20 LEU HD13 H 1 0.819 0.020 . 1 . . . . . . . . 4996 1 203 . 1 1 20 20 LEU HD21 H 1 0.707 0.020 . 1 . . . . . . . . 4996 1 204 . 1 1 20 20 LEU HD22 H 1 0.707 0.020 . 1 . . . . . . . . 4996 1 205 . 1 1 20 20 LEU HD23 H 1 0.707 0.020 . 1 . . . . . . . . 4996 1 206 . 1 1 20 20 LEU C C 13 177.031 0.300 . 1 . . . . . . . . 4996 1 207 . 1 1 20 20 LEU CA C 13 53.635 0.300 . 1 . . . . . . . . 4996 1 208 . 1 1 20 20 LEU CB C 13 43.345 0.300 . 1 . . . . . . . . 4996 1 209 . 1 1 20 20 LEU CG C 13 27.535 0.300 . 1 . . . . . . . . 4996 1 210 . 1 1 20 20 LEU CD1 C 13 27.266 0.300 . 1 . . . . . . . . 4996 1 211 . 1 1 20 20 LEU CD2 C 13 23.594 0.300 . 1 . . . . . . . . 4996 1 212 . 1 1 20 20 LEU N N 15 115.369 0.200 . 1 . . . . . . . . 4996 1 213 . 1 1 21 21 ALA H H 1 7.404 0.020 . 1 . . . . . . . . 4996 1 214 . 1 1 21 21 ALA HA H 1 4.257 0.020 . 1 . . . . . . . . 4996 1 215 . 1 1 21 21 ALA HB1 H 1 1.529 0.020 . 1 . . . . . . . . 4996 1 216 . 1 1 21 21 ALA HB2 H 1 1.529 0.020 . 1 . . . . . . . . 4996 1 217 . 1 1 21 21 ALA HB3 H 1 1.529 0.020 . 1 . . . . . . . . 4996 1 218 . 1 1 21 21 ALA C C 13 179.003 0.300 . 1 . . . . . . . . 4996 1 219 . 1 1 21 21 ALA CA C 13 54.857 0.300 . 1 . . . . . . . . 4996 1 220 . 1 1 21 21 ALA CB C 13 18.823 0.300 . 1 . . . . . . . . 4996 1 221 . 1 1 21 21 ALA N N 15 123.775 0.200 . 1 . . . . . . . . 4996 1 222 . 1 1 22 22 GLY H H 1 8.711 0.020 . 1 . . . . . . . . 4996 1 223 . 1 1 22 22 GLY HA2 H 1 4.190 0.020 . 2 . . . . . . . . 4996 1 224 . 1 1 22 22 GLY HA3 H 1 3.855 0.020 . 2 . . . . . . . . 4996 1 225 . 1 1 22 22 GLY C C 13 174.258 0.300 . 1 . . . . . . . . 4996 1 226 . 1 1 22 22 GLY CA C 13 44.889 0.300 . 1 . . . . . . . . 4996 1 227 . 1 1 22 22 GLY N N 15 107.963 0.200 . 1 . . . . . . . . 4996 1 228 . 1 1 23 23 ALA H H 1 7.653 0.020 . 1 . . . . . . . . 4996 1 229 . 1 1 23 23 ALA HA H 1 4.235 0.020 . 1 . . . . . . . . 4996 1 230 . 1 1 23 23 ALA HB1 H 1 1.197 0.020 . 1 . . . . . . . . 4996 1 231 . 1 1 23 23 ALA HB2 H 1 1.197 0.020 . 1 . . . . . . . . 4996 1 232 . 1 1 23 23 ALA HB3 H 1 1.197 0.020 . 1 . . . . . . . . 4996 1 233 . 1 1 23 23 ALA C C 13 176.173 0.300 . 1 . . . . . . . . 4996 1 234 . 1 1 23 23 ALA CA C 13 51.880 0.300 . 1 . . . . . . . . 4996 1 235 . 1 1 23 23 ALA CB C 13 20.222 0.300 . 1 . . . . . . . . 4996 1 236 . 1 1 23 23 ALA N N 15 123.337 0.200 . 1 . . . . . . . . 4996 1 237 . 1 1 24 24 ASP H H 1 8.317 0.020 . 1 . . . . . . . . 4996 1 238 . 1 1 24 24 ASP HA H 1 4.738 0.020 . 1 . . . . . . . . 4996 1 239 . 1 1 24 24 ASP HB2 H 1 2.446 0.020 . 1 . . . . . . . . 4996 1 240 . 1 1 24 24 ASP HB3 H 1 2.585 0.020 . 1 . . . . . . . . 4996 1 241 . 1 1 24 24 ASP C C 13 173.867 0.300 . 1 . . . . . . . . 4996 1 242 . 1 1 24 24 ASP CA C 13 53.679 0.300 . 1 . . . . . . . . 4996 1 243 . 1 1 24 24 ASP CB C 13 41.519 0.300 . 1 . . . . . . . . 4996 1 244 . 1 1 24 24 ASP N N 15 120.463 0.200 . 1 . . . . . . . . 4996 1 245 . 1 1 25 25 PHE H H 1 8.192 0.020 . 1 . . . . . . . . 4996 1 246 . 1 1 25 25 PHE HA H 1 4.168 0.020 . 1 . . . . . . . . 4996 1 247 . 1 1 25 25 PHE HB2 H 1 2.739 0.020 . 1 . . . . . . . . 4996 1 248 . 1 1 25 25 PHE HB3 H 1 2.899 0.020 . 1 . . . . . . . . 4996 1 249 . 1 1 25 25 PHE HD1 H 1 7.240 0.020 . 1 . . . . . . . . 4996 1 250 . 1 1 25 25 PHE HD2 H 1 7.240 0.020 . 1 . . . . . . . . 4996 1 251 . 1 1 25 25 PHE HE1 H 1 7.105 0.020 . 1 . . . . . . . . 4996 1 252 . 1 1 25 25 PHE HE2 H 1 7.105 0.020 . 1 . . . . . . . . 4996 1 253 . 1 1 25 25 PHE HZ H 1 6.906 0.020 . 1 . . . . . . . . 4996 1 254 . 1 1 25 25 PHE CA C 13 56.830 0.300 . 1 . . . . . . . . 4996 1 255 . 1 1 25 25 PHE CB C 13 40.666 0.300 . 1 . . . . . . . . 4996 1 256 . 1 1 25 25 PHE CD1 C 13 131.894 0.300 . 1 . . . . . . . . 4996 1 257 . 1 1 25 25 PHE CD2 C 13 131.894 0.300 . 1 . . . . . . . . 4996 1 258 . 1 1 25 25 PHE CE1 C 13 130.758 0.300 . 1 . . . . . . . . 4996 1 259 . 1 1 25 25 PHE CE2 C 13 130.758 0.300 . 1 . . . . . . . . 4996 1 260 . 1 1 25 25 PHE CZ C 13 127.833 0.300 . 1 . . . . . . . . 4996 1 261 . 1 1 25 25 PHE N N 15 120.119 0.200 . 1 . . . . . . . . 4996 1 262 . 1 1 26 26 PRO HA H 1 5.128 0.020 . 1 . . . . . . . . 4996 1 263 . 1 1 26 26 PRO HB2 H 1 2.417 0.020 . 2 . . . . . . . . 4996 1 264 . 1 1 26 26 PRO HB3 H 1 2.063 0.020 . 2 . . . . . . . . 4996 1 265 . 1 1 26 26 PRO HG2 H 1 2.002 0.020 . 1 . . . . . . . . 4996 1 266 . 1 1 26 26 PRO HG3 H 1 2.002 0.020 . 1 . . . . . . . . 4996 1 267 . 1 1 26 26 PRO HD2 H 1 3.709 0.020 . 2 . . . . . . . . 4996 1 268 . 1 1 26 26 PRO HD3 H 1 3.637 0.020 . 2 . . . . . . . . 4996 1 269 . 1 1 26 26 PRO C C 13 174.973 0.300 . 1 . . . . . . . . 4996 1 270 . 1 1 26 26 PRO CA C 13 62.145 0.300 . 1 . . . . . . . . 4996 1 271 . 1 1 26 26 PRO CB C 13 35.826 0.300 . 1 . . . . . . . . 4996 1 272 . 1 1 26 26 PRO CG C 13 25.377 0.300 . 1 . . . . . . . . 4996 1 273 . 1 1 26 26 PRO CD C 13 50.835 0.300 . 1 . . . . . . . . 4996 1 274 . 1 1 27 27 ILE H H 1 8.649 0.020 . 1 . . . . . . . . 4996 1 275 . 1 1 27 27 ILE HA H 1 4.436 0.020 . 1 . . . . . . . . 4996 1 276 . 1 1 27 27 ILE HB H 1 1.868 0.020 . 1 . . . . . . . . 4996 1 277 . 1 1 27 27 ILE HG12 H 1 0.865 0.020 . 2 . . . . . . . . 4996 1 278 . 1 1 27 27 ILE HG13 H 1 1.260 0.020 . 2 . . . . . . . . 4996 1 279 . 1 1 27 27 ILE HG21 H 1 1.177 0.020 . 1 . . . . . . . . 4996 1 280 . 1 1 27 27 ILE HG22 H 1 1.177 0.020 . 1 . . . . . . . . 4996 1 281 . 1 1 27 27 ILE HG23 H 1 1.177 0.020 . 1 . . . . . . . . 4996 1 282 . 1 1 27 27 ILE HD11 H 1 0.429 0.020 . 1 . . . . . . . . 4996 1 283 . 1 1 27 27 ILE HD12 H 1 0.429 0.020 . 1 . . . . . . . . 4996 1 284 . 1 1 27 27 ILE HD13 H 1 0.429 0.020 . 1 . . . . . . . . 4996 1 285 . 1 1 27 27 ILE C C 13 177.070 0.300 . 1 . . . . . . . . 4996 1 286 . 1 1 27 27 ILE CA C 13 61.182 0.300 . 1 . . . . . . . . 4996 1 287 . 1 1 27 27 ILE CB C 13 40.030 0.300 . 1 . . . . . . . . 4996 1 288 . 1 1 27 27 ILE CG1 C 13 27.496 0.300 . 1 . . . . . . . . 4996 1 289 . 1 1 27 27 ILE CG2 C 13 18.236 0.300 . 1 . . . . . . . . 4996 1 290 . 1 1 27 27 ILE CD1 C 13 13.930 0.300 . 1 . . . . . . . . 4996 1 291 . 1 1 27 27 ILE N N 15 119.931 0.200 . 1 . . . . . . . . 4996 1 292 . 1 1 28 28 ASN H H 1 9.313 0.020 . 1 . . . . . . . . 4996 1 293 . 1 1 28 28 ASN HA H 1 4.888 0.020 . 1 . . . . . . . . 4996 1 294 . 1 1 28 28 ASN HB2 H 1 2.918 0.020 . 1 . . . . . . . . 4996 1 295 . 1 1 28 28 ASN HB3 H 1 2.784 0.020 . 1 . . . . . . . . 4996 1 296 . 1 1 28 28 ASN HD21 H 1 8.006 0.020 . 1 . . . . . . . . 4996 1 297 . 1 1 28 28 ASN HD22 H 1 6.532 0.020 . 1 . . . . . . . . 4996 1 298 . 1 1 28 28 ASN C C 13 174.223 0.300 . 1 . . . . . . . . 4996 1 299 . 1 1 28 28 ASN CA C 13 55.160 0.300 . 1 . . . . . . . . 4996 1 300 . 1 1 28 28 ASN CB C 13 40.966 0.300 . 1 . . . . . . . . 4996 1 301 . 1 1 28 28 ASN N N 15 124.962 0.200 . 1 . . . . . . . . 4996 1 302 . 1 1 28 28 ASN ND2 N 15 113.806 0.200 . 1 . . . . . . . . 4996 1 303 . 1 1 29 29 SER H H 1 7.404 0.020 . 1 . . . . . . . . 4996 1 304 . 1 1 29 29 SER HA H 1 3.932 0.020 . 1 . . . . . . . . 4996 1 305 . 1 1 29 29 SER HB2 H 1 4.041 0.020 . 1 . . . . . . . . 4996 1 306 . 1 1 29 29 SER HB3 H 1 3.654 0.020 . 1 . . . . . . . . 4996 1 307 . 1 1 29 29 SER CA C 13 55.719 0.300 . 1 . . . . . . . . 4996 1 308 . 1 1 29 29 SER CB C 13 64.000 0.300 . 1 . . . . . . . . 4996 1 309 . 1 1 29 29 SER N N 15 112.775 0.200 . 1 . . . . . . . . 4996 1 310 . 1 1 30 30 PRO HA H 1 4.123 0.020 . 1 . . . . . . . . 4996 1 311 . 1 1 30 30 PRO HB2 H 1 1.965 0.020 . 2 . . . . . . . . 4996 1 312 . 1 1 30 30 PRO HB3 H 1 2.380 0.020 . 2 . . . . . . . . 4996 1 313 . 1 1 30 30 PRO HG2 H 1 2.090 0.020 . 2 . . . . . . . . 4996 1 314 . 1 1 30 30 PRO HG3 H 1 1.824 0.020 . 2 . . . . . . . . 4996 1 315 . 1 1 30 30 PRO HD2 H 1 3.587 0.020 . 1 . . . . . . . . 4996 1 316 . 1 1 30 30 PRO HD3 H 1 3.587 0.020 . 1 . . . . . . . . 4996 1 317 . 1 1 30 30 PRO C C 13 177.821 0.300 . 1 . . . . . . . . 4996 1 318 . 1 1 30 30 PRO CA C 13 65.216 0.300 . 1 . . . . . . . . 4996 1 319 . 1 1 30 30 PRO CB C 13 31.696 0.300 . 1 . . . . . . . . 4996 1 320 . 1 1 30 30 PRO CG C 13 27.500 0.300 . 1 . . . . . . . . 4996 1 321 . 1 1 30 30 PRO CD C 13 50.352 0.300 . 1 . . . . . . . . 4996 1 322 . 1 1 31 31 GLU H H 1 8.659 0.020 . 1 . . . . . . . . 4996 1 323 . 1 1 31 31 GLU HA H 1 3.922 0.020 . 1 . . . . . . . . 4996 1 324 . 1 1 31 31 GLU HB2 H 1 2.017 0.020 . 1 . . . . . . . . 4996 1 325 . 1 1 31 31 GLU HB3 H 1 1.877 0.020 . 1 . . . . . . . . 4996 1 326 . 1 1 31 31 GLU HG2 H 1 2.408 0.020 . 2 . . . . . . . . 4996 1 327 . 1 1 31 31 GLU HG3 H 1 2.214 0.020 . 2 . . . . . . . . 4996 1 328 . 1 1 31 31 GLU C C 13 180.003 0.300 . 1 . . . . . . . . 4996 1 329 . 1 1 31 31 GLU CA C 13 60.643 0.300 . 1 . . . . . . . . 4996 1 330 . 1 1 31 31 GLU CB C 13 28.675 0.300 . 1 . . . . . . . . 4996 1 331 . 1 1 31 31 GLU CG C 13 37.132 0.300 . 1 . . . . . . . . 4996 1 332 . 1 1 31 31 GLU N N 15 117.556 0.200 . 1 . . . . . . . . 4996 1 333 . 1 1 32 32 GLU H H 1 7.653 0.020 . 1 . . . . . . . . 4996 1 334 . 1 1 32 32 GLU HA H 1 4.023 0.020 . 1 . . . . . . . . 4996 1 335 . 1 1 32 32 GLU HB2 H 1 2.100 0.020 . 1 . . . . . . . . 4996 1 336 . 1 1 32 32 GLU HB3 H 1 2.203 0.020 . 1 . . . . . . . . 4996 1 337 . 1 1 32 32 GLU HG2 H 1 2.339 0.020 . 1 . . . . . . . . 4996 1 338 . 1 1 32 32 GLU HG3 H 1 2.339 0.020 . 1 . . . . . . . . 4996 1 339 . 1 1 32 32 GLU C C 13 179.002 0.300 . 1 . . . . . . . . 4996 1 340 . 1 1 32 32 GLU CA C 13 58.754 0.300 . 1 . . . . . . . . 4996 1 341 . 1 1 32 32 GLU CB C 13 31.001 0.300 . 1 . . . . . . . . 4996 1 342 . 1 1 32 32 GLU CG C 13 37.308 0.300 . 1 . . . . . . . . 4996 1 343 . 1 1 32 32 GLU N N 15 119.869 0.200 . 1 . . . . . . . . 4996 1 344 . 1 1 33 33 LEU H H 1 7.891 0.020 . 1 . . . . . . . . 4996 1 345 . 1 1 33 33 LEU HA H 1 4.079 0.020 . 1 . . . . . . . . 4996 1 346 . 1 1 33 33 LEU HB2 H 1 2.449 0.020 . 2 . . . . . . . . 4996 1 347 . 1 1 33 33 LEU HB3 H 1 1.556 0.020 . 2 . . . . . . . . 4996 1 348 . 1 1 33 33 LEU HG H 1 1.569 0.020 . 1 . . . . . . . . 4996 1 349 . 1 1 33 33 LEU HD11 H 1 0.874 0.020 . 1 . . . . . . . . 4996 1 350 . 1 1 33 33 LEU HD12 H 1 0.874 0.020 . 1 . . . . . . . . 4996 1 351 . 1 1 33 33 LEU HD13 H 1 0.874 0.020 . 1 . . . . . . . . 4996 1 352 . 1 1 33 33 LEU HD21 H 1 0.863 0.020 . 1 . . . . . . . . 4996 1 353 . 1 1 33 33 LEU HD22 H 1 0.863 0.020 . 1 . . . . . . . . 4996 1 354 . 1 1 33 33 LEU HD23 H 1 0.863 0.020 . 1 . . . . . . . . 4996 1 355 . 1 1 33 33 LEU C C 13 177.063 0.300 . 1 . . . . . . . . 4996 1 356 . 1 1 33 33 LEU CA C 13 58.210 0.300 . 1 . . . . . . . . 4996 1 357 . 1 1 33 33 LEU CB C 13 41.659 0.300 . 1 . . . . . . . . 4996 1 358 . 1 1 33 33 LEU CG C 13 27.572 0.300 . 1 . . . . . . . . 4996 1 359 . 1 1 33 33 LEU CD1 C 13 24.090 0.300 . 1 . . . . . . . . 4996 1 360 . 1 1 33 33 LEU CD2 C 13 26.091 0.300 . 1 . . . . . . . . 4996 1 361 . 1 1 33 33 LEU N N 15 121.431 0.200 . 1 . . . . . . . . 4996 1 362 . 1 1 34 34 MET H H 1 8.151 0.020 . 1 . . . . . . . . 4996 1 363 . 1 1 34 34 MET HA H 1 4.146 0.020 . 1 . . . . . . . . 4996 1 364 . 1 1 34 34 MET HB2 H 1 2.235 0.020 . 1 . . . . . . . . 4996 1 365 . 1 1 34 34 MET HB3 H 1 1.675 0.020 . 1 . . . . . . . . 4996 1 366 . 1 1 34 34 MET HG2 H 1 2.920 0.020 . 2 . . . . . . . . 4996 1 367 . 1 1 34 34 MET HG3 H 1 2.784 0.020 . 2 . . . . . . . . 4996 1 368 . 1 1 34 34 MET HE1 H 1 2.028 0.020 . 1 . . . . . . . . 4996 1 369 . 1 1 34 34 MET HE2 H 1 2.028 0.020 . 1 . . . . . . . . 4996 1 370 . 1 1 34 34 MET HE3 H 1 2.028 0.020 . 1 . . . . . . . . 4996 1 371 . 1 1 34 34 MET C C 13 178.696 0.300 . 1 . . . . . . . . 4996 1 372 . 1 1 34 34 MET CA C 13 56.933 0.300 . 1 . . . . . . . . 4996 1 373 . 1 1 34 34 MET CB C 13 32.588 0.300 . 1 . . . . . . . . 4996 1 374 . 1 1 34 34 MET CG C 13 33.248 0.300 . 1 . . . . . . . . 4996 1 375 . 1 1 34 34 MET CE C 13 18.533 0.300 . 1 . . . . . . . . 4996 1 376 . 1 1 34 34 MET N N 15 113.744 0.200 . 1 . . . . . . . . 4996 1 377 . 1 1 35 35 ALA H H 1 7.528 0.020 . 1 . . . . . . . . 4996 1 378 . 1 1 35 35 ALA HA H 1 4.168 0.020 . 1 . . . . . . . . 4996 1 379 . 1 1 35 35 ALA HB1 H 1 1.437 0.020 . 1 . . . . . . . . 4996 1 380 . 1 1 35 35 ALA HB2 H 1 1.437 0.020 . 1 . . . . . . . . 4996 1 381 . 1 1 35 35 ALA HB3 H 1 1.437 0.020 . 1 . . . . . . . . 4996 1 382 . 1 1 35 35 ALA C C 13 178.106 0.300 . 1 . . . . . . . . 4996 1 383 . 1 1 35 35 ALA CA C 13 53.520 0.300 . 1 . . . . . . . . 4996 1 384 . 1 1 35 35 ALA CB C 13 18.823 0.300 . 1 . . . . . . . . 4996 1 385 . 1 1 35 35 ALA N N 15 117.650 0.200 . 1 . . . . . . . . 4996 1 386 . 1 1 36 36 ALA H H 1 7.362 0.020 . 1 . . . . . . . . 4996 1 387 . 1 1 36 36 ALA HA H 1 4.212 0.020 . 1 . . . . . . . . 4996 1 388 . 1 1 36 36 ALA HB1 H 1 1.405 0.020 . 1 . . . . . . . . 4996 1 389 . 1 1 36 36 ALA HB2 H 1 1.405 0.020 . 1 . . . . . . . . 4996 1 390 . 1 1 36 36 ALA HB3 H 1 1.405 0.020 . 1 . . . . . . . . 4996 1 391 . 1 1 36 36 ALA C C 13 177.410 0.300 . 1 . . . . . . . . 4996 1 392 . 1 1 36 36 ALA CA C 13 52.348 0.300 . 1 . . . . . . . . 4996 1 393 . 1 1 36 36 ALA CB C 13 19.937 0.300 . 1 . . . . . . . . 4996 1 394 . 1 1 36 36 ALA N N 15 118.931 0.200 . 1 . . . . . . . . 4996 1 395 . 1 1 37 37 LEU H H 1 7.072 0.020 . 1 . . . . . . . . 4996 1 396 . 1 1 37 37 LEU HA H 1 4.584 0.020 . 1 . . . . . . . . 4996 1 397 . 1 1 37 37 LEU HB2 H 1 1.724 0.020 . 1 . . . . . . . . 4996 1 398 . 1 1 37 37 LEU HB3 H 1 1.599 0.020 . 1 . . . . . . . . 4996 1 399 . 1 1 37 37 LEU HG H 1 2.069 0.020 . 1 . . . . . . . . 4996 1 400 . 1 1 37 37 LEU HD11 H 1 0.738 0.020 . 1 . . . . . . . . 4996 1 401 . 1 1 37 37 LEU HD12 H 1 0.738 0.020 . 1 . . . . . . . . 4996 1 402 . 1 1 37 37 LEU HD13 H 1 0.738 0.020 . 1 . . . . . . . . 4996 1 403 . 1 1 37 37 LEU HD21 H 1 0.693 0.020 . 1 . . . . . . . . 4996 1 404 . 1 1 37 37 LEU HD22 H 1 0.693 0.020 . 1 . . . . . . . . 4996 1 405 . 1 1 37 37 LEU HD23 H 1 0.693 0.020 . 1 . . . . . . . . 4996 1 406 . 1 1 37 37 LEU CA C 13 52.466 0.300 . 1 . . . . . . . . 4996 1 407 . 1 1 37 37 LEU CB C 13 41.897 0.300 . 1 . . . . . . . . 4996 1 408 . 1 1 37 37 LEU CG C 13 25.982 0.300 . 1 . . . . . . . . 4996 1 409 . 1 1 37 37 LEU CD1 C 13 27.964 0.300 . 1 . . . . . . . . 4996 1 410 . 1 1 37 37 LEU CD2 C 13 23.595 0.300 . 1 . . . . . . . . 4996 1 411 . 1 1 37 37 LEU N N 15 117.890 0.200 . 1 . . . . . . . . 4996 1 412 . 1 1 38 38 PRO HA H 1 4.358 0.020 . 1 . . . . . . . . 4996 1 413 . 1 1 38 38 PRO HB2 H 1 2.476 0.020 . 2 . . . . . . . . 4996 1 414 . 1 1 38 38 PRO HB3 H 1 1.947 0.020 . 2 . . . . . . . . 4996 1 415 . 1 1 38 38 PRO HG2 H 1 2.270 0.020 . 2 . . . . . . . . 4996 1 416 . 1 1 38 38 PRO HG3 H 1 2.203 0.020 . 2 . . . . . . . . 4996 1 417 . 1 1 38 38 PRO HD2 H 1 3.605 0.020 . 2 . . . . . . . . 4996 1 418 . 1 1 38 38 PRO HD3 H 1 4.324 0.020 . 2 . . . . . . . . 4996 1 419 . 1 1 38 38 PRO C C 13 177.328 0.300 . 1 . . . . . . . . 4996 1 420 . 1 1 38 38 PRO CA C 13 65.437 0.300 . 1 . . . . . . . . 4996 1 421 . 1 1 38 38 PRO CB C 13 32.195 0.300 . 1 . . . . . . . . 4996 1 422 . 1 1 38 38 PRO CG C 13 27.721 0.300 . 1 . . . . . . . . 4996 1 423 . 1 1 38 38 PRO CD C 13 50.633 0.300 . 1 . . . . . . . . 4996 1 424 . 1 1 39 39 ASN H H 1 7.528 0.020 . 1 . . . . . . . . 4996 1 425 . 1 1 39 39 ASN HA H 1 5.240 0.020 . 1 . . . . . . . . 4996 1 426 . 1 1 39 39 ASN HB2 H 1 2.248 0.020 . 1 . . . . . . . . 4996 1 427 . 1 1 39 39 ASN HB3 H 1 2.971 0.020 . 1 . . . . . . . . 4996 1 428 . 1 1 39 39 ASN HD21 H 1 7.494 0.020 . 1 . . . . . . . . 4996 1 429 . 1 1 39 39 ASN HD22 H 1 6.914 0.020 . 1 . . . . . . . . 4996 1 430 . 1 1 39 39 ASN C C 13 175.898 0.300 . 1 . . . . . . . . 4996 1 431 . 1 1 39 39 ASN CA C 13 51.199 0.300 . 1 . . . . . . . . 4996 1 432 . 1 1 39 39 ASN CB C 13 39.756 0.300 . 1 . . . . . . . . 4996 1 433 . 1 1 39 39 ASN N N 15 112.978 0.200 . 1 . . . . . . . . 4996 1 434 . 1 1 39 39 ASN ND2 N 15 111.681 0.200 . 1 . . . . . . . . 4996 1 435 . 1 1 40 40 GLY H H 1 7.653 0.020 . 1 . . . . . . . . 4996 1 436 . 1 1 40 40 GLY HA2 H 1 4.391 0.020 . 1 . . . . . . . . 4996 1 437 . 1 1 40 40 GLY HA3 H 1 4.190 0.020 . 1 . . . . . . . . 4996 1 438 . 1 1 40 40 GLY CA C 13 45.367 0.300 . 1 . . . . . . . . 4996 1 439 . 1 1 40 40 GLY N N 15 108.869 0.200 . 1 . . . . . . . . 4996 1 440 . 1 1 41 41 PRO HA H 1 4.352 0.020 . 1 . . . . . . . . 4996 1 441 . 1 1 41 41 PRO HB2 H 1 2.471 0.020 . 2 . . . . . . . . 4996 1 442 . 1 1 41 41 PRO HB3 H 1 1.951 0.020 . 2 . . . . . . . . 4996 1 443 . 1 1 41 41 PRO HG2 H 1 2.069 0.020 . 2 . . . . . . . . 4996 1 444 . 1 1 41 41 PRO HG3 H 1 1.962 0.020 . 2 . . . . . . . . 4996 1 445 . 1 1 41 41 PRO HD2 H 1 4.034 0.020 . 2 . . . . . . . . 4996 1 446 . 1 1 41 41 PRO HD3 H 1 3.632 0.020 . 2 . . . . . . . . 4996 1 447 . 1 1 41 41 PRO C C 13 175.173 0.300 . 1 . . . . . . . . 4996 1 448 . 1 1 41 41 PRO CA C 13 64.437 0.300 . 1 . . . . . . . . 4996 1 449 . 1 1 41 41 PRO CB C 13 32.208 0.300 . 1 . . . . . . . . 4996 1 450 . 1 1 41 41 PRO CG C 13 27.111 0.300 . 1 . . . . . . . . 4996 1 451 . 1 1 41 41 PRO CD C 13 51.226 0.300 . 1 . . . . . . . . 4996 1 452 . 1 1 42 42 ASP H H 1 7.321 0.020 . 1 . . . . . . . . 4996 1 453 . 1 1 42 42 ASP HA H 1 4.669 0.020 . 1 . . . . . . . . 4996 1 454 . 1 1 42 42 ASP HB2 H 1 2.627 0.020 . 1 . . . . . . . . 4996 1 455 . 1 1 42 42 ASP HB3 H 1 2.895 0.020 . 1 . . . . . . . . 4996 1 456 . 1 1 42 42 ASP C C 13 176.231 0.300 . 1 . . . . . . . . 4996 1 457 . 1 1 42 42 ASP CA C 13 54.561 0.300 . 1 . . . . . . . . 4996 1 458 . 1 1 42 42 ASP CB C 13 41.326 0.300 . 1 . . . . . . . . 4996 1 459 . 1 1 42 42 ASP N N 15 114.088 0.200 . 1 . . . . . . . . 4996 1 460 . 1 1 43 43 THR H H 1 7.715 0.020 . 1 . . . . . . . . 4996 1 461 . 1 1 43 43 THR HA H 1 4.092 0.020 . 1 . . . . . . . . 4996 1 462 . 1 1 43 43 THR HB H 1 4.012 0.020 . 1 . . . . . . . . 4996 1 463 . 1 1 43 43 THR HG21 H 1 1.260 0.020 . 1 . . . . . . . . 4996 1 464 . 1 1 43 43 THR HG22 H 1 1.260 0.020 . 1 . . . . . . . . 4996 1 465 . 1 1 43 43 THR HG23 H 1 1.260 0.020 . 1 . . . . . . . . 4996 1 466 . 1 1 43 43 THR CA C 13 65.044 0.300 . 1 . . . . . . . . 4996 1 467 . 1 1 43 43 THR CB C 13 69.115 0.300 . 1 . . . . . . . . 4996 1 468 . 1 1 43 43 THR CG2 C 13 20.641 0.300 . 1 . . . . . . . . 4996 1 469 . 1 1 43 43 THR N N 15 119.369 0.200 . 1 . . . . . . . . 4996 1 470 . 1 1 44 44 THR H H 1 9.085 0.020 . 1 . . . . . . . . 4996 1 471 . 1 1 44 44 THR HA H 1 5.079 0.020 . 1 . . . . . . . . 4996 1 472 . 1 1 44 44 THR HB H 1 3.958 0.020 . 1 . . . . . . . . 4996 1 473 . 1 1 44 44 THR HG21 H 1 1.064 0.020 . 1 . . . . . . . . 4996 1 474 . 1 1 44 44 THR HG22 H 1 1.064 0.020 . 1 . . . . . . . . 4996 1 475 . 1 1 44 44 THR HG23 H 1 1.064 0.020 . 1 . . . . . . . . 4996 1 476 . 1 1 44 44 THR CA C 13 61.301 0.300 . 1 . . . . . . . . 4996 1 477 . 1 1 44 44 THR CB C 13 71.296 0.300 . 1 . . . . . . . . 4996 1 478 . 1 1 44 44 THR CG2 C 13 21.435 0.300 . 1 . . . . . . . . 4996 1 479 . 1 1 44 44 THR N N 15 123.650 0.200 . 1 . . . . . . . . 4996 1 480 . 1 1 45 45 CYS H H 1 8.732 0.020 . 1 . . . . . . . . 4996 1 481 . 1 1 45 45 CYS HA H 1 4.694 0.020 . 1 . . . . . . . . 4996 1 482 . 1 1 45 45 CYS HB2 H 1 2.583 0.020 . 1 . . . . . . . . 4996 1 483 . 1 1 45 45 CYS HB3 H 1 2.717 0.020 . 1 . . . . . . . . 4996 1 484 . 1 1 45 45 CYS C C 13 181.200 0.300 . 1 . . . . . . . . 4996 1 485 . 1 1 45 45 CYS CA C 13 57.558 0.300 . 1 . . . . . . . . 4996 1 486 . 1 1 45 45 CYS CB C 13 30.433 0.300 . 1 . . . . . . . . 4996 1 487 . 1 1 45 45 CYS N N 15 124.556 0.200 . 1 . . . . . . . . 4996 1 488 . 1 1 46 46 LYS H H 1 8.617 0.020 . 1 . . . . . . . . 4996 1 489 . 1 1 46 46 LYS HA H 1 5.266 0.020 . 1 . . . . . . . . 4996 1 490 . 1 1 46 46 LYS HB2 H 1 1.757 0.020 . 2 . . . . . . . . 4996 1 491 . 1 1 46 46 LYS HB3 H 1 1.608 0.020 . 2 . . . . . . . . 4996 1 492 . 1 1 46 46 LYS HG2 H 1 1.232 0.020 . 1 . . . . . . . . 4996 1 493 . 1 1 46 46 LYS HG3 H 1 1.232 0.020 . 1 . . . . . . . . 4996 1 494 . 1 1 46 46 LYS HD2 H 1 1.623 0.020 . 2 . . . . . . . . 4996 1 495 . 1 1 46 46 LYS HD3 H 1 1.658 0.020 . 2 . . . . . . . . 4996 1 496 . 1 1 46 46 LYS HE2 H 1 2.962 0.020 . 2 . . . . . . . . 4996 1 497 . 1 1 46 46 LYS HE3 H 1 2.902 0.020 . 2 . . . . . . . . 4996 1 498 . 1 1 46 46 LYS C C 13 175.554 0.300 . 1 . . . . . . . . 4996 1 499 . 1 1 46 46 LYS CA C 13 55.153 0.300 . 1 . . . . . . . . 4996 1 500 . 1 1 46 46 LYS CB C 13 36.598 0.300 . 1 . . . . . . . . 4996 1 501 . 1 1 46 46 LYS CG C 13 25.017 0.300 . 1 . . . . . . . . 4996 1 502 . 1 1 46 46 LYS CD C 13 29.604 0.300 . 1 . . . . . . . . 4996 1 503 . 1 1 46 46 LYS CE C 13 42.298 0.300 . 1 . . . . . . . . 4996 1 504 . 1 1 46 46 LYS N N 15 123.244 0.200 . 1 . . . . . . . . 4996 1 505 . 1 1 47 47 SER H H 1 8.836 0.020 . 1 . . . . . . . . 4996 1 506 . 1 1 47 47 SER HA H 1 4.436 0.020 . 1 . . . . . . . . 4996 1 507 . 1 1 47 47 SER HB2 H 1 3.647 0.020 . 1 . . . . . . . . 4996 1 508 . 1 1 47 47 SER HB3 H 1 3.431 0.020 . 1 . . . . . . . . 4996 1 509 . 1 1 47 47 SER C C 13 174.599 0.300 . 1 . . . . . . . . 4996 1 510 . 1 1 47 47 SER CA C 13 57.595 0.300 . 1 . . . . . . . . 4996 1 511 . 1 1 47 47 SER CB C 13 63.405 0.300 . 1 . . . . . . . . 4996 1 512 . 1 1 47 47 SER N N 15 120.994 0.200 . 1 . . . . . . . . 4996 1 513 . 1 1 48 48 GLY H H 1 9.043 0.020 . 1 . . . . . . . . 4996 1 514 . 1 1 48 48 GLY HA2 H 1 3.945 0.020 . 2 . . . . . . . . 4996 1 515 . 1 1 48 48 GLY HA3 H 1 3.654 0.020 . 2 . . . . . . . . 4996 1 516 . 1 1 48 48 GLY C C 13 174.784 0.300 . 1 . . . . . . . . 4996 1 517 . 1 1 48 48 GLY CA C 13 47.333 0.300 . 1 . . . . . . . . 4996 1 518 . 1 1 48 48 GLY N N 15 117.806 0.200 . 1 . . . . . . . . 4996 1 519 . 1 1 49 49 ASP H H 1 8.753 0.020 . 1 . . . . . . . . 4996 1 520 . 1 1 49 49 ASP HA H 1 4.686 0.020 . 1 . . . . . . . . 4996 1 521 . 1 1 49 49 ASP HB2 H 1 2.650 0.020 . 1 . . . . . . . . 4996 1 522 . 1 1 49 49 ASP HB3 H 1 2.806 0.020 . 1 . . . . . . . . 4996 1 523 . 1 1 49 49 ASP C C 13 175.710 0.300 . 1 . . . . . . . . 4996 1 524 . 1 1 49 49 ASP CA C 13 54.277 0.300 . 1 . . . . . . . . 4996 1 525 . 1 1 49 49 ASP CB C 13 41.064 0.300 . 1 . . . . . . . . 4996 1 526 . 1 1 49 49 ASP N N 15 125.994 0.200 . 1 . . . . . . . . 4996 1 527 . 1 1 50 50 VAL H H 1 8.268 0.020 . 1 . . . . . . . . 4996 1 528 . 1 1 50 50 VAL HA H 1 4.041 0.020 . 1 . . . . . . . . 4996 1 529 . 1 1 50 50 VAL HB H 1 2.248 0.020 . 1 . . . . . . . . 4996 1 530 . 1 1 50 50 VAL HG11 H 1 0.774 0.020 . 1 . . . . . . . . 4996 1 531 . 1 1 50 50 VAL HG12 H 1 0.774 0.020 . 1 . . . . . . . . 4996 1 532 . 1 1 50 50 VAL HG13 H 1 0.774 0.020 . 1 . . . . . . . . 4996 1 533 . 1 1 50 50 VAL HG21 H 1 1.031 0.020 . 1 . . . . . . . . 4996 1 534 . 1 1 50 50 VAL HG22 H 1 1.031 0.020 . 1 . . . . . . . . 4996 1 535 . 1 1 50 50 VAL HG23 H 1 1.031 0.020 . 1 . . . . . . . . 4996 1 536 . 1 1 50 50 VAL C C 13 174.074 0.300 . 1 . . . . . . . . 4996 1 537 . 1 1 50 50 VAL CA C 13 62.956 0.300 . 1 . . . . . . . . 4996 1 538 . 1 1 50 50 VAL CB C 13 32.638 0.300 . 1 . . . . . . . . 4996 1 539 . 1 1 50 50 VAL CG1 C 13 20.938 0.300 . 1 . . . . . . . . 4996 1 540 . 1 1 50 50 VAL CG2 C 13 21.847 0.300 . 1 . . . . . . . . 4996 1 541 . 1 1 50 50 VAL N N 15 122.620 0.200 . 1 . . . . . . . . 4996 1 542 . 1 1 51 51 GLU H H 1 8.400 0.020 . 1 . . . . . . . . 4996 1 543 . 1 1 51 51 GLU HA H 1 4.927 0.020 . 1 . . . . . . . . 4996 1 544 . 1 1 51 51 GLU HB2 H 1 1.860 0.020 . 2 . . . . . . . . 4996 1 545 . 1 1 51 51 GLU HB3 H 1 1.779 0.020 . 2 . . . . . . . . 4996 1 546 . 1 1 51 51 GLU HG2 H 1 2.069 0.020 . 2 . . . . . . . . 4996 1 547 . 1 1 51 51 GLU HG3 H 1 1.905 0.020 . 2 . . . . . . . . 4996 1 548 . 1 1 51 51 GLU C C 13 174.372 0.300 . 1 . . . . . . . . 4996 1 549 . 1 1 51 51 GLU CA C 13 54.655 0.300 . 1 . . . . . . . . 4996 1 550 . 1 1 51 51 GLU CB C 13 33.276 0.300 . 1 . . . . . . . . 4996 1 551 . 1 1 51 51 GLU CG C 13 37.028 0.300 . 1 . . . . . . . . 4996 1 552 . 1 1 51 51 GLU N N 15 126.619 0.200 . 1 . . . . . . . . 4996 1 553 . 1 1 52 52 LEU H H 1 8.836 0.020 . 1 . . . . . . . . 4996 1 554 . 1 1 52 52 LEU HA H 1 4.715 0.020 . 1 . . . . . . . . 4996 1 555 . 1 1 52 52 LEU HB2 H 1 1.556 0.020 . 2 . . . . . . . . 4996 1 556 . 1 1 52 52 LEU HB3 H 1 1.198 0.020 . 2 . . . . . . . . 4996 1 557 . 1 1 52 52 LEU HG H 1 1.377 0.020 . 1 . . . . . . . . 4996 1 558 . 1 1 52 52 LEU HD11 H 1 0.797 0.020 . 1 . . . . . . . . 4996 1 559 . 1 1 52 52 LEU HD12 H 1 0.797 0.020 . 1 . . . . . . . . 4996 1 560 . 1 1 52 52 LEU HD13 H 1 0.797 0.020 . 1 . . . . . . . . 4996 1 561 . 1 1 52 52 LEU HD21 H 1 0.636 0.020 . 1 . . . . . . . . 4996 1 562 . 1 1 52 52 LEU HD22 H 1 0.636 0.020 . 1 . . . . . . . . 4996 1 563 . 1 1 52 52 LEU HD23 H 1 0.636 0.020 . 1 . . . . . . . . 4996 1 564 . 1 1 52 52 LEU CA C 13 54.039 0.300 . 1 . . . . . . . . 4996 1 565 . 1 1 52 52 LEU CB C 13 45.277 0.300 . 1 . . . . . . . . 4996 1 566 . 1 1 52 52 LEU CG C 13 27.595 0.300 . 1 . . . . . . . . 4996 1 567 . 1 1 52 52 LEU CD1 C 13 24.453 0.300 . 1 . . . . . . . . 4996 1 568 . 1 1 52 52 LEU CD2 C 13 25.552 0.300 . 1 . . . . . . . . 4996 1 569 . 1 1 52 52 LEU N N 15 125.806 0.200 . 1 . . . . . . . . 4996 1 570 . 1 1 53 53 LYS H H 1 8.397 0.020 . 1 . . . . . . . . 4996 1 571 . 1 1 53 53 LYS HA H 1 4.707 0.020 . 1 . . . . . . . . 4996 1 572 . 1 1 53 53 LYS HB2 H 1 1.910 0.020 . 1 . . . . . . . . 4996 1 573 . 1 1 53 53 LYS HB3 H 1 1.910 0.020 . 1 . . . . . . . . 4996 1 574 . 1 1 53 53 LYS HG2 H 1 1.384 0.020 . 1 . . . . . . . . 4996 1 575 . 1 1 53 53 LYS HG3 H 1 1.384 0.020 . 1 . . . . . . . . 4996 1 576 . 1 1 53 53 LYS HD2 H 1 1.803 0.020 . 1 . . . . . . . . 4996 1 577 . 1 1 53 53 LYS HD3 H 1 1.803 0.020 . 1 . . . . . . . . 4996 1 578 . 1 1 53 53 LYS HE2 H 1 3.195 0.020 . 2 . . . . . . . . 4996 1 579 . 1 1 53 53 LYS HE3 H 1 3.038 0.020 . 2 . . . . . . . . 4996 1 580 . 1 1 53 53 LYS C C 13 178.289 0.300 . 1 . . . . . . . . 4996 1 581 . 1 1 53 53 LYS CA C 13 55.045 0.300 . 1 . . . . . . . . 4996 1 582 . 1 1 53 53 LYS CB C 13 34.151 0.300 . 1 . . . . . . . . 4996 1 583 . 1 1 53 53 LYS CG C 13 24.833 0.300 . 1 . . . . . . . . 4996 1 584 . 1 1 53 53 LYS CD C 13 26.541 0.300 . 1 . . . . . . . . 4996 1 585 . 1 1 53 53 LYS N N 15 127.518 0.200 . 1 . . . . . . . . 4996 1 586 . 1 1 54 54 ALA H H 1 9.095 0.020 . 1 . . . . . . . . 4996 1 587 . 1 1 54 54 ALA HA H 1 3.864 0.020 . 1 . . . . . . . . 4996 1 588 . 1 1 54 54 ALA HB1 H 1 1.426 0.020 . 1 . . . . . . . . 4996 1 589 . 1 1 54 54 ALA HB2 H 1 1.426 0.020 . 1 . . . . . . . . 4996 1 590 . 1 1 54 54 ALA HB3 H 1 1.426 0.020 . 1 . . . . . . . . 4996 1 591 . 1 1 54 54 ALA C C 13 178.752 0.300 . 1 . . . . . . . . 4996 1 592 . 1 1 54 54 ALA CA C 13 55.858 0.300 . 1 . . . . . . . . 4996 1 593 . 1 1 54 54 ALA CB C 13 19.419 0.300 . 1 . . . . . . . . 4996 1 594 . 1 1 54 54 ALA N N 15 127.775 0.200 . 1 . . . . . . . . 4996 1 595 . 1 1 55 55 SER H H 1 8.421 0.020 . 1 . . . . . . . . 4996 1 596 . 1 1 55 55 SER HA H 1 4.123 0.020 . 1 . . . . . . . . 4996 1 597 . 1 1 55 55 SER HB2 H 1 3.989 0.020 . 1 . . . . . . . . 4996 1 598 . 1 1 55 55 SER HB3 H 1 3.900 0.020 . 1 . . . . . . . . 4996 1 599 . 1 1 55 55 SER CA C 13 60.551 0.300 . 1 . . . . . . . . 4996 1 600 . 1 1 55 55 SER CB C 13 61.384 0.300 . 1 . . . . . . . . 4996 1 601 . 1 1 55 55 SER N N 15 111.181 0.200 . 1 . . . . . . . . 4996 1 602 . 1 1 56 56 ASP H H 1 7.134 0.020 . 1 . . . . . . . . 4996 1 603 . 1 1 56 56 ASP HA H 1 4.614 0.020 . 1 . . . . . . . . 4996 1 604 . 1 1 56 56 ASP HB2 H 1 2.969 0.020 . 1 . . . . . . . . 4996 1 605 . 1 1 56 56 ASP HB3 H 1 2.775 0.020 . 1 . . . . . . . . 4996 1 606 . 1 1 56 56 ASP C C 13 174.540 0.300 . 1 . . . . . . . . 4996 1 607 . 1 1 56 56 ASP CA C 13 56.817 0.300 . 1 . . . . . . . . 4996 1 608 . 1 1 56 56 ASP CB C 13 40.618 0.300 . 1 . . . . . . . . 4996 1 609 . 1 1 56 56 ASP N N 15 122.431 0.200 . 1 . . . . . . . . 4996 1 610 . 1 1 57 57 ALA H H 1 8.069 0.020 . 1 . . . . . . . . 4996 1 611 . 1 1 57 57 ALA HA H 1 4.056 0.020 . 1 . . . . . . . . 4996 1 612 . 1 1 57 57 ALA HB1 H 1 1.361 0.020 . 1 . . . . . . . . 4996 1 613 . 1 1 57 57 ALA HB2 H 1 1.361 0.020 . 1 . . . . . . . . 4996 1 614 . 1 1 57 57 ALA HB3 H 1 1.361 0.020 . 1 . . . . . . . . 4996 1 615 . 1 1 57 57 ALA C C 13 179.061 0.300 . 1 . . . . . . . . 4996 1 616 . 1 1 57 57 ALA CA C 13 54.457 0.300 . 1 . . . . . . . . 4996 1 617 . 1 1 57 57 ALA CB C 13 18.296 0.300 . 1 . . . . . . . . 4996 1 618 . 1 1 57 57 ALA N N 15 123.025 0.200 . 1 . . . . . . . . 4996 1 619 . 1 1 58 58 GLY H H 1 8.545 0.020 . 1 . . . . . . . . 4996 1 620 . 1 1 58 58 GLY HA2 H 1 3.878 0.020 . 2 . . . . . . . . 4996 1 621 . 1 1 58 58 GLY HA3 H 1 3.744 0.020 . 2 . . . . . . . . 4996 1 622 . 1 1 58 58 GLY C C 13 175.193 0.300 . 1 . . . . . . . . 4996 1 623 . 1 1 58 58 GLY CA C 13 46.442 0.300 . 1 . . . . . . . . 4996 1 624 . 1 1 58 58 GLY N N 15 101.318 0.200 . 1 . . . . . . . . 4996 1 625 . 1 1 59 59 GLN H H 1 7.332 0.020 . 1 . . . . . . . . 4996 1 626 . 1 1 59 59 GLN HA H 1 4.332 0.020 . 1 . . . . . . . . 4996 1 627 . 1 1 59 59 GLN HB2 H 1 2.236 0.020 . 2 . . . . . . . . 4996 1 628 . 1 1 59 59 GLN HB3 H 1 2.321 0.020 . 2 . . . . . . . . 4996 1 629 . 1 1 59 59 GLN HG2 H 1 2.560 0.020 . 2 . . . . . . . . 4996 1 630 . 1 1 59 59 GLN HG3 H 1 2.653 0.020 . 2 . . . . . . . . 4996 1 631 . 1 1 59 59 GLN HE21 H 1 7.455 0.020 . 1 . . . . . . . . 4996 1 632 . 1 1 59 59 GLN HE22 H 1 6.861 0.020 . 1 . . . . . . . . 4996 1 633 . 1 1 59 59 GLN C C 13 177.246 0.300 . 1 . . . . . . . . 4996 1 634 . 1 1 59 59 GLN CA C 13 57.248 0.300 . 1 . . . . . . . . 4996 1 635 . 1 1 59 59 GLN CB C 13 29.349 0.300 . 1 . . . . . . . . 4996 1 636 . 1 1 59 59 GLN CG C 13 34.285 0.300 . 1 . . . . . . . . 4996 1 637 . 1 1 59 59 GLN N N 15 115.775 0.200 . 1 . . . . . . . . 4996 1 638 . 1 1 59 59 GLN NE2 N 15 111.963 0.200 . 1 . . . . . . . . 4996 1 639 . 1 1 60 60 VAL H H 1 7.321 0.020 . 1 . . . . . . . . 4996 1 640 . 1 1 60 60 VAL HA H 1 4.498 0.020 . 1 . . . . . . . . 4996 1 641 . 1 1 60 60 VAL HB H 1 2.359 0.020 . 1 . . . . . . . . 4996 1 642 . 1 1 60 60 VAL HG11 H 1 0.975 0.020 . 1 . . . . . . . . 4996 1 643 . 1 1 60 60 VAL HG12 H 1 0.975 0.020 . 1 . . . . . . . . 4996 1 644 . 1 1 60 60 VAL HG13 H 1 0.975 0.020 . 1 . . . . . . . . 4996 1 645 . 1 1 60 60 VAL HG21 H 1 0.998 0.020 . 1 . . . . . . . . 4996 1 646 . 1 1 60 60 VAL HG22 H 1 0.998 0.020 . 1 . . . . . . . . 4996 1 647 . 1 1 60 60 VAL HG23 H 1 0.998 0.020 . 1 . . . . . . . . 4996 1 648 . 1 1 60 60 VAL C C 13 175.696 0.300 . 1 . . . . . . . . 4996 1 649 . 1 1 60 60 VAL CA C 13 61.206 0.300 . 1 . . . . . . . . 4996 1 650 . 1 1 60 60 VAL CB C 13 31.954 0.300 . 1 . . . . . . . . 4996 1 651 . 1 1 60 60 VAL CG1 C 13 21.539 0.300 . 1 . . . . . . . . 4996 1 652 . 1 1 60 60 VAL CG2 C 13 19.540 0.300 . 1 . . . . . . . . 4996 1 653 . 1 1 60 60 VAL N N 15 109.963 0.200 . 1 . . . . . . . . 4996 1 654 . 1 1 61 61 LEU H H 1 7.175 0.020 . 1 . . . . . . . . 4996 1 655 . 1 1 61 61 LEU HA H 1 4.715 0.020 . 1 . . . . . . . . 4996 1 656 . 1 1 61 61 LEU HB2 H 1 2.091 0.020 . 1 . . . . . . . . 4996 1 657 . 1 1 61 61 LEU HB3 H 1 1.600 0.020 . 1 . . . . . . . . 4996 1 658 . 1 1 61 61 LEU HG H 1 2.037 0.020 . 1 . . . . . . . . 4996 1 659 . 1 1 61 61 LEU HD11 H 1 0.886 0.020 . 1 . . . . . . . . 4996 1 660 . 1 1 61 61 LEU HD12 H 1 0.886 0.020 . 1 . . . . . . . . 4996 1 661 . 1 1 61 61 LEU HD13 H 1 0.886 0.020 . 1 . . . . . . . . 4996 1 662 . 1 1 61 61 LEU HD21 H 1 0.817 0.020 . 1 . . . . . . . . 4996 1 663 . 1 1 61 61 LEU HD22 H 1 0.817 0.020 . 1 . . . . . . . . 4996 1 664 . 1 1 61 61 LEU HD23 H 1 0.817 0.020 . 1 . . . . . . . . 4996 1 665 . 1 1 61 61 LEU C C 13 176.835 0.300 . 1 . . . . . . . . 4996 1 666 . 1 1 61 61 LEU CA C 13 54.099 0.300 . 1 . . . . . . . . 4996 1 667 . 1 1 61 61 LEU CB C 13 42.971 0.300 . 1 . . . . . . . . 4996 1 668 . 1 1 61 61 LEU CG C 13 26.253 0.300 . 1 . . . . . . . . 4996 1 669 . 1 1 61 61 LEU CD1 C 13 26.192 0.300 . 1 . . . . . . . . 4996 1 670 . 1 1 61 61 LEU CD2 C 13 23.378 0.300 . 1 . . . . . . . . 4996 1 671 . 1 1 61 61 LEU N N 15 120.494 0.200 . 1 . . . . . . . . 4996 1 672 . 1 1 62 62 THR H H 1 9.459 0.020 . 1 . . . . . . . . 4996 1 673 . 1 1 62 62 THR HA H 1 4.838 0.020 . 1 . . . . . . . . 4996 1 674 . 1 1 62 62 THR HB H 1 4.547 0.020 . 1 . . . . . . . . 4996 1 675 . 1 1 62 62 THR HG21 H 1 1.197 0.020 . 1 . . . . . . . . 4996 1 676 . 1 1 62 62 THR HG22 H 1 1.197 0.020 . 1 . . . . . . . . 4996 1 677 . 1 1 62 62 THR HG23 H 1 1.197 0.020 . 1 . . . . . . . . 4996 1 678 . 1 1 62 62 THR C C 13 175.990 0.300 . 1 . . . . . . . . 4996 1 679 . 1 1 62 62 THR CA C 13 59.507 0.300 . 1 . . . . . . . . 4996 1 680 . 1 1 62 62 THR CB C 13 71.837 0.300 . 1 . . . . . . . . 4996 1 681 . 1 1 62 62 THR CG2 C 13 22.121 0.300 . 1 . . . . . . . . 4996 1 682 . 1 1 62 62 THR N N 15 114.431 0.200 . 1 . . . . . . . . 4996 1 683 . 1 1 63 63 ALA H H 1 8.753 0.020 . 1 . . . . . . . . 4996 1 684 . 1 1 63 63 ALA HA H 1 4.212 0.020 . 1 . . . . . . . . 4996 1 685 . 1 1 63 63 ALA HB1 H 1 1.509 0.020 . 1 . . . . . . . . 4996 1 686 . 1 1 63 63 ALA HB2 H 1 1.509 0.020 . 1 . . . . . . . . 4996 1 687 . 1 1 63 63 ALA HB3 H 1 1.509 0.020 . 1 . . . . . . . . 4996 1 688 . 1 1 63 63 ALA C C 13 179.676 0.300 . 1 . . . . . . . . 4996 1 689 . 1 1 63 63 ALA CA C 13 55.478 0.300 . 1 . . . . . . . . 4996 1 690 . 1 1 63 63 ALA CB C 13 18.763 0.300 . 1 . . . . . . . . 4996 1 691 . 1 1 63 63 ALA N N 15 122.088 0.200 . 1 . . . . . . . . 4996 1 692 . 1 1 64 64 ASP H H 1 7.985 0.020 . 1 . . . . . . . . 4996 1 693 . 1 1 64 64 ASP HA H 1 4.525 0.020 . 1 . . . . . . . . 4996 1 694 . 1 1 64 64 ASP HB2 H 1 2.484 0.020 . 1 . . . . . . . . 4996 1 695 . 1 1 64 64 ASP HB3 H 1 2.717 0.020 . 1 . . . . . . . . 4996 1 696 . 1 1 64 64 ASP C C 13 176.365 0.300 . 1 . . . . . . . . 4996 1 697 . 1 1 64 64 ASP CA C 13 55.079 0.300 . 1 . . . . . . . . 4996 1 698 . 1 1 64 64 ASP CB C 13 40.632 0.300 . 1 . . . . . . . . 4996 1 699 . 1 1 64 64 ASP N N 15 112.650 0.200 . 1 . . . . . . . . 4996 1 700 . 1 1 65 65 ASP H H 1 7.943 0.020 . 1 . . . . . . . . 4996 1 701 . 1 1 65 65 ASP HA H 1 4.235 0.020 . 1 . . . . . . . . 4996 1 702 . 1 1 65 65 ASP HB2 H 1 2.560 0.020 . 1 . . . . . . . . 4996 1 703 . 1 1 65 65 ASP HB3 H 1 2.318 0.020 . 1 . . . . . . . . 4996 1 704 . 1 1 65 65 ASP C C 13 173.512 0.300 . 1 . . . . . . . . 4996 1 705 . 1 1 65 65 ASP CA C 13 55.984 0.300 . 1 . . . . . . . . 4996 1 706 . 1 1 65 65 ASP CB C 13 42.033 0.300 . 1 . . . . . . . . 4996 1 707 . 1 1 65 65 ASP N N 15 118.275 0.200 . 1 . . . . . . . . 4996 1 708 . 1 1 66 66 PHE H H 1 6.947 0.020 . 1 . . . . . . . . 4996 1 709 . 1 1 66 66 PHE HA H 1 3.587 0.020 . 1 . . . . . . . . 4996 1 710 . 1 1 66 66 PHE HB2 H 1 2.784 0.020 . 1 . . . . . . . . 4996 1 711 . 1 1 66 66 PHE HB3 H 1 2.784 0.020 . 1 . . . . . . . . 4996 1 712 . 1 1 66 66 PHE HD1 H 1 7.370 0.020 . 1 . . . . . . . . 4996 1 713 . 1 1 66 66 PHE HD2 H 1 7.370 0.020 . 1 . . . . . . . . 4996 1 714 . 1 1 66 66 PHE HE1 H 1 7.121 0.020 . 1 . . . . . . . . 4996 1 715 . 1 1 66 66 PHE HE2 H 1 7.121 0.020 . 1 . . . . . . . . 4996 1 716 . 1 1 66 66 PHE HZ H 1 7.010 0.020 . 1 . . . . . . . . 4996 1 717 . 1 1 66 66 PHE CA C 13 55.470 0.300 . 1 . . . . . . . . 4996 1 718 . 1 1 66 66 PHE CB C 13 40.060 0.300 . 1 . . . . . . . . 4996 1 719 . 1 1 66 66 PHE CD1 C 13 133.063 0.300 . 1 . . . . . . . . 4996 1 720 . 1 1 66 66 PHE CD2 C 13 133.063 0.300 . 1 . . . . . . . . 4996 1 721 . 1 1 66 66 PHE CE1 C 13 130.758 0.300 . 1 . . . . . . . . 4996 1 722 . 1 1 66 66 PHE CE2 C 13 130.758 0.300 . 1 . . . . . . . . 4996 1 723 . 1 1 66 66 PHE CZ C 13 127.803 0.300 . 1 . . . . . . . . 4996 1 724 . 1 1 66 66 PHE N N 15 114.088 0.200 . 1 . . . . . . . . 4996 1 725 . 1 1 67 67 PRO HA H 1 4.994 0.020 . 1 . . . . . . . . 4996 1 726 . 1 1 67 67 PRO HB2 H 1 1.820 0.020 . 2 . . . . . . . . 4996 1 727 . 1 1 67 67 PRO HB3 H 1 2.774 0.020 . 2 . . . . . . . . 4996 1 728 . 1 1 67 67 PRO HG2 H 1 2.025 0.020 . 2 . . . . . . . . 4996 1 729 . 1 1 67 67 PRO HG3 H 1 1.847 0.020 . 2 . . . . . . . . 4996 1 730 . 1 1 67 67 PRO HD2 H 1 3.584 0.020 . 1 . . . . . . . . 4996 1 731 . 1 1 67 67 PRO HD3 H 1 3.584 0.020 . 1 . . . . . . . . 4996 1 732 . 1 1 67 67 PRO C C 13 175.947 0.300 . 1 . . . . . . . . 4996 1 733 . 1 1 67 67 PRO CA C 13 61.685 0.300 . 1 . . . . . . . . 4996 1 734 . 1 1 67 67 PRO CB C 13 36.092 0.300 . 1 . . . . . . . . 4996 1 735 . 1 1 67 67 PRO CG C 13 24.777 0.300 . 1 . . . . . . . . 4996 1 736 . 1 1 67 67 PRO CD C 13 50.388 0.300 . 1 . . . . . . . . 4996 1 737 . 1 1 68 68 PHE H H 1 8.808 0.020 . 1 . . . . . . . . 4996 1 738 . 1 1 68 68 PHE HA H 1 5.173 0.020 . 1 . . . . . . . . 4996 1 739 . 1 1 68 68 PHE HB2 H 1 2.851 0.020 . 1 . . . . . . . . 4996 1 740 . 1 1 68 68 PHE HB3 H 1 3.169 0.020 . 1 . . . . . . . . 4996 1 741 . 1 1 68 68 PHE HD1 H 1 6.984 0.020 . 1 . . . . . . . . 4996 1 742 . 1 1 68 68 PHE HD2 H 1 6.984 0.020 . 1 . . . . . . . . 4996 1 743 . 1 1 68 68 PHE HE1 H 1 6.669 0.020 . 1 . . . . . . . . 4996 1 744 . 1 1 68 68 PHE HE2 H 1 6.669 0.020 . 1 . . . . . . . . 4996 1 745 . 1 1 68 68 PHE HZ H 1 6.719 0.020 . 1 . . . . . . . . 4996 1 746 . 1 1 68 68 PHE C C 13 177.237 0.300 . 1 . . . . . . . . 4996 1 747 . 1 1 68 68 PHE CA C 13 56.851 0.300 . 1 . . . . . . . . 4996 1 748 . 1 1 68 68 PHE CB C 13 43.467 0.300 . 1 . . . . . . . . 4996 1 749 . 1 1 68 68 PHE CD1 C 13 131.359 0.300 . 1 . . . . . . . . 4996 1 750 . 1 1 68 68 PHE CD2 C 13 131.359 0.300 . 1 . . . . . . . . 4996 1 751 . 1 1 68 68 PHE CE1 C 13 131.059 0.300 . 1 . . . . . . . . 4996 1 752 . 1 1 68 68 PHE CE2 C 13 131.059 0.300 . 1 . . . . . . . . 4996 1 753 . 1 1 68 68 PHE CZ C 13 128.304 0.300 . 1 . . . . . . . . 4996 1 754 . 1 1 68 68 PHE N N 15 116.619 0.200 . 1 . . . . . . . . 4996 1 755 . 1 1 69 69 LYS H H 1 9.687 0.020 . 1 . . . . . . . . 4996 1 756 . 1 1 69 69 LYS HA H 1 4.413 0.020 . 1 . . . . . . . . 4996 1 757 . 1 1 69 69 LYS HB2 H 1 1.958 0.020 . 1 . . . . . . . . 4996 1 758 . 1 1 69 69 LYS HB3 H 1 1.958 0.020 . 1 . . . . . . . . 4996 1 759 . 1 1 69 69 LYS HG2 H 1 1.489 0.020 . 2 . . . . . . . . 4996 1 760 . 1 1 69 69 LYS HG3 H 1 1.557 0.020 . 2 . . . . . . . . 4996 1 761 . 1 1 69 69 LYS HD2 H 1 1.779 0.020 . 1 . . . . . . . . 4996 1 762 . 1 1 69 69 LYS HD3 H 1 1.779 0.020 . 1 . . . . . . . . 4996 1 763 . 1 1 69 69 LYS HE2 H 1 3.007 0.020 . 2 . . . . . . . . 4996 1 764 . 1 1 69 69 LYS HE3 H 1 3.053 0.020 . 2 . . . . . . . . 4996 1 765 . 1 1 69 69 LYS C C 13 175.425 0.300 . 1 . . . . . . . . 4996 1 766 . 1 1 69 69 LYS CA C 13 57.334 0.300 . 1 . . . . . . . . 4996 1 767 . 1 1 69 69 LYS CB C 13 33.026 0.300 . 1 . . . . . . . . 4996 1 768 . 1 1 69 69 LYS CG C 13 25.169 0.300 . 1 . . . . . . . . 4996 1 769 . 1 1 69 69 LYS CD C 13 28.872 0.300 . 1 . . . . . . . . 4996 1 770 . 1 1 69 69 LYS CE C 13 41.477 0.300 . 1 . . . . . . . . 4996 1 771 . 1 1 69 69 LYS N N 15 121.119 0.200 . 1 . . . . . . . . 4996 1 772 . 1 1 70 70 SER H H 1 7.300 0.020 . 1 . . . . . . . . 4996 1 773 . 1 1 70 70 SER HA H 1 3.303 0.020 . 1 . . . . . . . . 4996 1 774 . 1 1 70 70 SER HB2 H 1 3.900 0.020 . 1 . . . . . . . . 4996 1 775 . 1 1 70 70 SER HB3 H 1 3.699 0.020 . 1 . . . . . . . . 4996 1 776 . 1 1 70 70 SER C C 13 173.377 0.300 . 1 . . . . . . . . 4996 1 777 . 1 1 70 70 SER CA C 13 56.033 0.300 . 1 . . . . . . . . 4996 1 778 . 1 1 70 70 SER CB C 13 66.164 0.300 . 1 . . . . . . . . 4996 1 779 . 1 1 70 70 SER N N 15 110.775 0.200 . 1 . . . . . . . . 4996 1 780 . 1 1 71 71 ALA H H 1 8.566 0.020 . 1 . . . . . . . . 4996 1 781 . 1 1 71 71 ALA HA H 1 3.766 0.020 . 1 . . . . . . . . 4996 1 782 . 1 1 71 71 ALA HB1 H 1 1.415 0.020 . 1 . . . . . . . . 4996 1 783 . 1 1 71 71 ALA HB2 H 1 1.415 0.020 . 1 . . . . . . . . 4996 1 784 . 1 1 71 71 ALA HB3 H 1 1.415 0.020 . 1 . . . . . . . . 4996 1 785 . 1 1 71 71 ALA C C 13 178.546 0.300 . 1 . . . . . . . . 4996 1 786 . 1 1 71 71 ALA CA C 13 54.766 0.300 . 1 . . . . . . . . 4996 1 787 . 1 1 71 71 ALA CB C 13 19.995 0.300 . 1 . . . . . . . . 4996 1 788 . 1 1 71 71 ALA N N 15 124.119 0.200 . 1 . . . . . . . . 4996 1 789 . 1 1 72 72 GLU H H 1 8.836 0.020 . 1 . . . . . . . . 4996 1 790 . 1 1 72 72 GLU HA H 1 3.598 0.020 . 1 . . . . . . . . 4996 1 791 . 1 1 72 72 GLU HB2 H 1 1.958 0.020 . 1 . . . . . . . . 4996 1 792 . 1 1 72 72 GLU HB3 H 1 1.833 0.020 . 1 . . . . . . . . 4996 1 793 . 1 1 72 72 GLU HG2 H 1 2.403 0.020 . 2 . . . . . . . . 4996 1 794 . 1 1 72 72 GLU HG3 H 1 2.152 0.020 . 2 . . . . . . . . 4996 1 795 . 1 1 72 72 GLU C C 13 177.345 0.300 . 1 . . . . . . . . 4996 1 796 . 1 1 72 72 GLU CA C 13 60.673 0.300 . 1 . . . . . . . . 4996 1 797 . 1 1 72 72 GLU CB C 13 28.744 0.300 . 1 . . . . . . . . 4996 1 798 . 1 1 72 72 GLU CG C 13 37.361 0.300 . 1 . . . . . . . . 4996 1 799 . 1 1 72 72 GLU N N 15 117.338 0.200 . 1 . . . . . . . . 4996 1 800 . 1 1 73 73 GLU H H 1 7.362 0.020 . 1 . . . . . . . . 4996 1 801 . 1 1 73 73 GLU HA H 1 4.168 0.020 . 1 . . . . . . . . 4996 1 802 . 1 1 73 73 GLU HB2 H 1 2.203 0.020 . 2 . . . . . . . . 4996 1 803 . 1 1 73 73 GLU HB3 H 1 2.449 0.020 . 2 . . . . . . . . 4996 1 804 . 1 1 73 73 GLU HG2 H 1 2.493 0.020 . 2 . . . . . . . . 4996 1 805 . 1 1 73 73 GLU HG3 H 1 2.382 0.020 . 2 . . . . . . . . 4996 1 806 . 1 1 73 73 GLU C C 13 179.845 0.300 . 1 . . . . . . . . 4996 1 807 . 1 1 73 73 GLU CA C 13 59.220 0.300 . 1 . . . . . . . . 4996 1 808 . 1 1 73 73 GLU CB C 13 31.027 0.300 . 1 . . . . . . . . 4996 1 809 . 1 1 73 73 GLU CG C 13 36.206 0.300 . 1 . . . . . . . . 4996 1 810 . 1 1 73 73 GLU N N 15 117.838 0.200 . 1 . . . . . . . . 4996 1 811 . 1 1 74 74 VAL H H 1 7.238 0.020 . 1 . . . . . . . . 4996 1 812 . 1 1 74 74 VAL HA H 1 2.484 0.020 . 1 . . . . . . . . 4996 1 813 . 1 1 74 74 VAL HB H 1 1.851 0.020 . 1 . . . . . . . . 4996 1 814 . 1 1 74 74 VAL HG11 H 1 0.388 0.020 . 1 . . . . . . . . 4996 1 815 . 1 1 74 74 VAL HG12 H 1 0.388 0.020 . 1 . . . . . . . . 4996 1 816 . 1 1 74 74 VAL HG13 H 1 0.388 0.020 . 1 . . . . . . . . 4996 1 817 . 1 1 74 74 VAL HG21 H 1 0.575 0.020 . 1 . . . . . . . . 4996 1 818 . 1 1 74 74 VAL HG22 H 1 0.575 0.020 . 1 . . . . . . . . 4996 1 819 . 1 1 74 74 VAL HG23 H 1 0.575 0.020 . 1 . . . . . . . . 4996 1 820 . 1 1 74 74 VAL C C 13 176.401 0.300 . 1 . . . . . . . . 4996 1 821 . 1 1 74 74 VAL CA C 13 65.192 0.300 . 1 . . . . . . . . 4996 1 822 . 1 1 74 74 VAL CB C 13 31.070 0.300 . 1 . . . . . . . . 4996 1 823 . 1 1 74 74 VAL CG1 C 13 22.076 0.300 . 1 . . . . . . . . 4996 1 824 . 1 1 74 74 VAL CG2 C 13 21.627 0.300 . 1 . . . . . . . . 4996 1 825 . 1 1 74 74 VAL N N 15 118.619 0.200 . 1 . . . . . . . . 4996 1 826 . 1 1 75 75 ALA H H 1 7.998 0.020 . 1 . . . . . . . . 4996 1 827 . 1 1 75 75 ALA HA H 1 3.709 0.020 . 1 . . . . . . . . 4996 1 828 . 1 1 75 75 ALA HB1 H 1 1.446 0.020 . 1 . . . . . . . . 4996 1 829 . 1 1 75 75 ALA HB2 H 1 1.446 0.020 . 1 . . . . . . . . 4996 1 830 . 1 1 75 75 ALA HB3 H 1 1.446 0.020 . 1 . . . . . . . . 4996 1 831 . 1 1 75 75 ALA C C 13 178.553 0.300 . 1 . . . . . . . . 4996 1 832 . 1 1 75 75 ALA CA C 13 55.678 0.300 . 1 . . . . . . . . 4996 1 833 . 1 1 75 75 ALA CB C 13 20.783 0.300 . 1 . . . . . . . . 4996 1 834 . 1 1 75 75 ALA N N 15 120.056 0.200 . 1 . . . . . . . . 4996 1 835 . 1 1 76 76 ASP H H 1 8.659 0.020 . 1 . . . . . . . . 4996 1 836 . 1 1 76 76 ASP HA H 1 4.324 0.020 . 1 . . . . . . . . 4996 1 837 . 1 1 76 76 ASP HB2 H 1 2.717 0.020 . 1 . . . . . . . . 4996 1 838 . 1 1 76 76 ASP HB3 H 1 2.538 0.020 . 1 . . . . . . . . 4996 1 839 . 1 1 76 76 ASP C C 13 178.391 0.300 . 1 . . . . . . . . 4996 1 840 . 1 1 76 76 ASP CA C 13 57.474 0.300 . 1 . . . . . . . . 4996 1 841 . 1 1 76 76 ASP CB C 13 40.949 0.300 . 1 . . . . . . . . 4996 1 842 . 1 1 76 76 ASP N N 15 115.900 0.200 . 1 . . . . . . . . 4996 1 843 . 1 1 77 77 THR H H 1 7.765 0.020 . 1 . . . . . . . . 4996 1 844 . 1 1 77 77 THR HA H 1 4.041 0.020 . 1 . . . . . . . . 4996 1 845 . 1 1 77 77 THR HB H 1 4.257 0.020 . 1 . . . . . . . . 4996 1 846 . 1 1 77 77 THR HG21 H 1 1.243 0.020 . 1 . . . . . . . . 4996 1 847 . 1 1 77 77 THR HG22 H 1 1.243 0.020 . 1 . . . . . . . . 4996 1 848 . 1 1 77 77 THR HG23 H 1 1.243 0.020 . 1 . . . . . . . . 4996 1 849 . 1 1 77 77 THR C C 13 176.045 0.300 . 1 . . . . . . . . 4996 1 850 . 1 1 77 77 THR CA C 13 67.228 0.300 . 1 . . . . . . . . 4996 1 851 . 1 1 77 77 THR CB C 13 68.108 0.300 . 1 . . . . . . . . 4996 1 852 . 1 1 77 77 THR CG2 C 13 21.875 0.300 . 1 . . . . . . . . 4996 1 853 . 1 1 77 77 THR N N 15 115.556 0.200 . 1 . . . . . . . . 4996 1 854 . 1 1 78 78 ILE H H 1 8.296 0.020 . 1 . . . . . . . . 4996 1 855 . 1 1 78 78 ILE HA H 1 3.439 0.020 . 1 . . . . . . . . 4996 1 856 . 1 1 78 78 ILE HB H 1 1.737 0.020 . 1 . . . . . . . . 4996 1 857 . 1 1 78 78 ILE HG12 H 1 1.862 0.020 . 2 . . . . . . . . 4996 1 858 . 1 1 78 78 ILE HG13 H 1 0.803 0.020 . 2 . . . . . . . . 4996 1 859 . 1 1 78 78 ILE HG21 H 1 0.636 0.020 . 1 . . . . . . . . 4996 1 860 . 1 1 78 78 ILE HG22 H 1 0.636 0.020 . 1 . . . . . . . . 4996 1 861 . 1 1 78 78 ILE HG23 H 1 0.636 0.020 . 1 . . . . . . . . 4996 1 862 . 1 1 78 78 ILE HD11 H 1 0.596 0.020 . 1 . . . . . . . . 4996 1 863 . 1 1 78 78 ILE HD12 H 1 0.596 0.020 . 1 . . . . . . . . 4996 1 864 . 1 1 78 78 ILE HD13 H 1 0.596 0.020 . 1 . . . . . . . . 4996 1 865 . 1 1 78 78 ILE C C 13 177.639 0.300 . 1 . . . . . . . . 4996 1 866 . 1 1 78 78 ILE CA C 13 66.686 0.300 . 1 . . . . . . . . 4996 1 867 . 1 1 78 78 ILE CB C 13 37.586 0.300 . 1 . . . . . . . . 4996 1 868 . 1 1 78 78 ILE CG1 C 13 30.027 0.300 . 1 . . . . . . . . 4996 1 869 . 1 1 78 78 ILE CG2 C 13 17.579 0.300 . 1 . . . . . . . . 4996 1 870 . 1 1 78 78 ILE CD1 C 13 13.543 0.300 . 1 . . . . . . . . 4996 1 871 . 1 1 78 78 ILE N N 15 119.306 0.200 . 1 . . . . . . . . 4996 1 872 . 1 1 79 79 VAL H H 1 8.400 0.020 . 1 . . . . . . . . 4996 1 873 . 1 1 79 79 VAL HA H 1 3.766 0.020 . 1 . . . . . . . . 4996 1 874 . 1 1 79 79 VAL HB H 1 2.173 0.020 . 1 . . . . . . . . 4996 1 875 . 1 1 79 79 VAL HG11 H 1 0.953 0.020 . 1 . . . . . . . . 4996 1 876 . 1 1 79 79 VAL HG12 H 1 0.953 0.020 . 1 . . . . . . . . 4996 1 877 . 1 1 79 79 VAL HG13 H 1 0.953 0.020 . 1 . . . . . . . . 4996 1 878 . 1 1 79 79 VAL HG21 H 1 1.064 0.020 . 1 . . . . . . . . 4996 1 879 . 1 1 79 79 VAL HG22 H 1 1.064 0.020 . 1 . . . . . . . . 4996 1 880 . 1 1 79 79 VAL HG23 H 1 1.064 0.020 . 1 . . . . . . . . 4996 1 881 . 1 1 79 79 VAL C C 13 177.712 0.300 . 1 . . . . . . . . 4996 1 882 . 1 1 79 79 VAL CA C 13 66.322 0.300 . 1 . . . . . . . . 4996 1 883 . 1 1 79 79 VAL CB C 13 31.194 0.300 . 1 . . . . . . . . 4996 1 884 . 1 1 79 79 VAL CG1 C 13 21.804 0.300 . 1 . . . . . . . . 4996 1 885 . 1 1 79 79 VAL CG2 C 13 20.000 0.300 . 1 . . . . . . . . 4996 1 886 . 1 1 79 79 VAL N N 15 111.400 0.200 . 1 . . . . . . . . 4996 1 887 . 1 1 80 80 ASN H H 1 7.757 0.020 . 1 . . . . . . . . 4996 1 888 . 1 1 80 80 ASN HA H 1 4.619 0.020 . 1 . . . . . . . . 4996 1 889 . 1 1 80 80 ASN HB2 H 1 3.029 0.020 . 1 . . . . . . . . 4996 1 890 . 1 1 80 80 ASN HB3 H 1 2.828 0.020 . 1 . . . . . . . . 4996 1 891 . 1 1 80 80 ASN HD21 H 1 7.606 0.020 . 1 . . . . . . . . 4996 1 892 . 1 1 80 80 ASN HD22 H 1 6.905 0.020 . 1 . . . . . . . . 4996 1 893 . 1 1 80 80 ASN C C 13 178.731 0.300 . 1 . . . . . . . . 4996 1 894 . 1 1 80 80 ASN CA C 13 55.741 0.300 . 1 . . . . . . . . 4996 1 895 . 1 1 80 80 ASN CB C 13 38.596 0.300 . 1 . . . . . . . . 4996 1 896 . 1 1 80 80 ASN N N 15 117.931 0.200 . 1 . . . . . . . . 4996 1 897 . 1 1 80 80 ASN ND2 N 15 112.900 0.200 . 1 . . . . . . . . 4996 1 898 . 1 1 81 81 LYS H H 1 8.483 0.020 . 1 . . . . . . . . 4996 1 899 . 1 1 81 81 LYS HA H 1 4.207 0.020 . 1 . . . . . . . . 4996 1 900 . 1 1 81 81 LYS HB2 H 1 1.868 0.020 . 2 . . . . . . . . 4996 1 901 . 1 1 81 81 LYS HB3 H 1 1.801 0.020 . 2 . . . . . . . . 4996 1 902 . 1 1 81 81 LYS HG2 H 1 1.422 0.020 . 1 . . . . . . . . 4996 1 903 . 1 1 81 81 LYS HG3 H 1 1.422 0.020 . 1 . . . . . . . . 4996 1 904 . 1 1 81 81 LYS HD2 H 1 1.645 0.020 . 2 . . . . . . . . 4996 1 905 . 1 1 81 81 LYS HD3 H 1 1.687 0.020 . 2 . . . . . . . . 4996 1 906 . 1 1 81 81 LYS HE2 H 1 2.739 0.020 . 2 . . . . . . . . 4996 1 907 . 1 1 81 81 LYS HE3 H 1 2.895 0.020 . 2 . . . . . . . . 4996 1 908 . 1 1 81 81 LYS C C 13 177.873 0.300 . 1 . . . . . . . . 4996 1 909 . 1 1 81 81 LYS CA C 13 59.319 0.300 . 1 . . . . . . . . 4996 1 910 . 1 1 81 81 LYS CB C 13 32.011 0.300 . 1 . . . . . . . . 4996 1 911 . 1 1 81 81 LYS CG C 13 26.999 0.300 . 1 . . . . . . . . 4996 1 912 . 1 1 81 81 LYS CD C 13 29.840 0.300 . 1 . . . . . . . . 4996 1 913 . 1 1 81 81 LYS CE C 13 42.281 0.300 . 1 . . . . . . . . 4996 1 914 . 1 1 81 81 LYS N N 15 119.869 0.200 . 1 . . . . . . . . 4996 1 915 . 1 1 82 82 ALA H H 1 8.369 0.020 . 1 . . . . . . . . 4996 1 916 . 1 1 82 82 ALA HA H 1 4.330 0.020 . 1 . . . . . . . . 4996 1 917 . 1 1 82 82 ALA HB1 H 1 1.393 0.020 . 1 . . . . . . . . 4996 1 918 . 1 1 82 82 ALA HB2 H 1 1.393 0.020 . 1 . . . . . . . . 4996 1 919 . 1 1 82 82 ALA HB3 H 1 1.393 0.020 . 1 . . . . . . . . 4996 1 920 . 1 1 82 82 ALA C C 13 177.567 0.300 . 1 . . . . . . . . 4996 1 921 . 1 1 82 82 ALA CA C 13 52.500 0.300 . 1 . . . . . . . . 4996 1 922 . 1 1 82 82 ALA CB C 13 18.822 0.300 . 1 . . . . . . . . 4996 1 923 . 1 1 82 82 ALA N N 15 119.056 0.200 . 1 . . . . . . . . 4996 1 924 . 1 1 83 83 GLY H H 1 7.684 0.020 . 1 . . . . . . . . 4996 1 925 . 1 1 83 83 GLY HA2 H 1 3.922 0.020 . 1 . . . . . . . . 4996 1 926 . 1 1 83 83 GLY HA3 H 1 3.922 0.020 . 1 . . . . . . . . 4996 1 927 . 1 1 83 83 GLY C C 13 174.536 0.300 . 1 . . . . . . . . 4996 1 928 . 1 1 83 83 GLY CA C 13 46.808 0.300 . 1 . . . . . . . . 4996 1 929 . 1 1 83 83 GLY N N 15 105.869 0.200 . 1 . . . . . . . . 4996 1 930 . 1 1 84 84 LEU H H 1 7.217 0.020 . 1 . . . . . . . . 4996 1 931 . 1 1 84 84 LEU HA H 1 4.056 0.020 . 1 . . . . . . . . 4996 1 932 . 1 1 84 84 LEU HB2 H 1 1.623 0.020 . 1 . . . . . . . . 4996 1 933 . 1 1 84 84 LEU HB3 H 1 1.444 0.020 . 1 . . . . . . . . 4996 1 934 . 1 1 84 84 LEU HG H 1 1.544 0.020 . 1 . . . . . . . . 4996 1 935 . 1 1 84 84 LEU HD11 H 1 0.819 0.020 . 1 . . . . . . . . 4996 1 936 . 1 1 84 84 LEU HD12 H 1 0.819 0.020 . 1 . . . . . . . . 4996 1 937 . 1 1 84 84 LEU HD13 H 1 0.819 0.020 . 1 . . . . . . . . 4996 1 938 . 1 1 84 84 LEU HD21 H 1 0.797 0.020 . 1 . . . . . . . . 4996 1 939 . 1 1 84 84 LEU HD22 H 1 0.797 0.020 . 1 . . . . . . . . 4996 1 940 . 1 1 84 84 LEU HD23 H 1 0.797 0.020 . 1 . . . . . . . . 4996 1 941 . 1 1 84 84 LEU CA C 13 56.320 0.300 . 1 . . . . . . . . 4996 1 942 . 1 1 84 84 LEU CB C 13 42.948 0.300 . 1 . . . . . . . . 4996 1 943 . 1 1 84 84 LEU CD1 C 13 26.797 0.300 . 1 . . . . . . . . 4996 1 944 . 1 1 84 84 LEU CD2 C 13 22.996 0.300 . 1 . . . . . . . . 4996 1 945 . 1 1 84 84 LEU N N 15 123.587 0.200 . 1 . . . . . . . . 4996 1 stop_ save_