data_6209 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6209 _Entry.Title ; Solution Structure of a Calmodulin-Like Calcium-Binding Domain from Arabidopsis thaliana ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-05-19 _Entry.Accession_date 2004-05-20 _Entry.Last_release_date . _Entry.Original_release_date . _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 Jikui Song . . . 6209 2 Qin Zhao . . . 6209 3 Sandy Thao . . . 6209 4 Ronnie Frederick . O. . 6209 5 John Markley . L. . 6209 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6209 RDCs 1 6209 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 395 6209 '13C chemical shifts' 261 6209 '15N chemical shifts' 69 6209 'residual dipolar couplings' 55 6209 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 . . 2005-01-07 . update BMRB 'citation updated' 6209 2 . . 2004-06-30 . original author 'original release' 6209 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 6209 _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: Solution Structure of a Calmodulin-Like Calcium-Binding Domain from Arabidopsis thaliana ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 451 _Citation.Page_last 456 _Citation.Year 2004 _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 Jikui Song . . . 6209 1 2 Qin Zhao . . . 6209 1 3 Sandy Thao . . . 6209 1 4 Ronnie Frederick . O. . 6209 1 5 John Markley . L. . 6209 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6209 _Assembly.ID 1 _Assembly.Name 'N-domain of At3g03410.1' _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 6209 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 'Calmodulin like protein' 1 $Calmodulin_like_protein . . . native . . . . . 6209 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'N-domain of At3g03410.1' system 6209 1 'N-domain of At3g03410.1' abbreviation 6209 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin_like_protein _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin_like_protein _Entity.Entry_ID 6209 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal domain of At3g03410.1' _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 ; SSAKRVFEKFDKNKDGKLSL DEFREVALAFSPYFTQEDIV KFFEEIDVDGNGELNADEFT SCIEKML ; _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 67 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2010-09-18 _Entity.DB_query_revised_last_date 2010-09-18 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 . . SP Q9SRP5 . 'RecName: Full=Probable calcium-binding protein CML34; AltName: Full=Calmodulin-like protein 2; AltName: Full=Calmodulin-like protein 34' . . . . . 98.51 131 100.00 100.00 1.89e-29 . . . . 6209 1 . . REF NP_186991 . 'calmodulin-related protein, putative [Arabidopsis thaliana]' . . . . . 98.51 131 100.00 100.00 1.89e-29 . . . . 6209 1 . . GB ABK32174 . 'At3g03410 [Arabidopsis thaliana]' . . . . . 98.51 131 100.00 100.00 1.89e-29 . . . . 6209 1 . . GB AAF01604 . 'calmodulin-like protein [Arabidopsis thaliana]' . . . . . 98.51 131 100.00 100.00 1.89e-29 . . . . 6209 1 . . PDB 1TIZ . 'Solution Structure Of A Calmodulin-Like Calcium-Binding Domain From Arabidopsis Thaliana' . . . . . 100.00 67 100.00 100.00 8.28e-30 . . . . 6209 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'N-terminal domain of At3g03410.1' common 6209 1 'N-terminal domain of At3g03410.1' variant 6209 1 'N-terminal domain of At3g03410.1' abbreviation 6209 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 . SER . 6209 1 2 . SER . 6209 1 3 . ALA . 6209 1 4 . LYS . 6209 1 5 . ARG . 6209 1 6 . VAL . 6209 1 7 . PHE . 6209 1 8 . GLU . 6209 1 9 . LYS . 6209 1 10 . PHE . 6209 1 11 . ASP . 6209 1 12 . LYS . 6209 1 13 . ASN . 6209 1 14 . LYS . 6209 1 15 . ASP . 6209 1 16 . GLY . 6209 1 17 . LYS . 6209 1 18 . LEU . 6209 1 19 . SER . 6209 1 20 . LEU . 6209 1 21 . ASP . 6209 1 22 . GLU . 6209 1 23 . PHE . 6209 1 24 . ARG . 6209 1 25 . GLU . 6209 1 26 . VAL . 6209 1 27 . ALA . 6209 1 28 . LEU . 6209 1 29 . ALA . 6209 1 30 . PHE . 6209 1 31 . SER . 6209 1 32 . PRO . 6209 1 33 . TYR . 6209 1 34 . PHE . 6209 1 35 . THR . 6209 1 36 . GLN . 6209 1 37 . GLU . 6209 1 38 . ASP . 6209 1 39 . ILE . 6209 1 40 . VAL . 6209 1 41 . LYS . 6209 1 42 . PHE . 6209 1 43 . PHE . 6209 1 44 . GLU . 6209 1 45 . GLU . 6209 1 46 . ILE . 6209 1 47 . ASP . 6209 1 48 . VAL . 6209 1 49 . ASP . 6209 1 50 . GLY . 6209 1 51 . ASN . 6209 1 52 . GLY . 6209 1 53 . GLU . 6209 1 54 . LEU . 6209 1 55 . ASN . 6209 1 56 . ALA . 6209 1 57 . ASP . 6209 1 58 . GLU . 6209 1 59 . PHE . 6209 1 60 . THR . 6209 1 61 . SER . 6209 1 62 . CYS . 6209 1 63 . ILE . 6209 1 64 . GLU . 6209 1 65 . LYS . 6209 1 66 . MET . 6209 1 67 . LEU . 6209 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 . SER 1 1 6209 1 . SER 2 2 6209 1 . ALA 3 3 6209 1 . LYS 4 4 6209 1 . ARG 5 5 6209 1 . VAL 6 6 6209 1 . PHE 7 7 6209 1 . GLU 8 8 6209 1 . LYS 9 9 6209 1 . PHE 10 10 6209 1 . ASP 11 11 6209 1 . LYS 12 12 6209 1 . ASN 13 13 6209 1 . LYS 14 14 6209 1 . ASP 15 15 6209 1 . GLY 16 16 6209 1 . LYS 17 17 6209 1 . LEU 18 18 6209 1 . SER 19 19 6209 1 . LEU 20 20 6209 1 . ASP 21 21 6209 1 . GLU 22 22 6209 1 . PHE 23 23 6209 1 . ARG 24 24 6209 1 . GLU 25 25 6209 1 . VAL 26 26 6209 1 . ALA 27 27 6209 1 . LEU 28 28 6209 1 . ALA 29 29 6209 1 . PHE 30 30 6209 1 . SER 31 31 6209 1 . PRO 32 32 6209 1 . TYR 33 33 6209 1 . PHE 34 34 6209 1 . THR 35 35 6209 1 . GLN 36 36 6209 1 . GLU 37 37 6209 1 . ASP 38 38 6209 1 . ILE 39 39 6209 1 . VAL 40 40 6209 1 . LYS 41 41 6209 1 . PHE 42 42 6209 1 . PHE 43 43 6209 1 . GLU 44 44 6209 1 . GLU 45 45 6209 1 . ILE 46 46 6209 1 . ASP 47 47 6209 1 . VAL 48 48 6209 1 . ASP 49 49 6209 1 . GLY 50 50 6209 1 . ASN 51 51 6209 1 . GLY 52 52 6209 1 . GLU 53 53 6209 1 . LEU 54 54 6209 1 . ASN 55 55 6209 1 . ALA 56 56 6209 1 . ASP 57 57 6209 1 . GLU 58 58 6209 1 . PHE 59 59 6209 1 . THR 60 60 6209 1 . SER 61 61 6209 1 . CYS 62 62 6209 1 . ILE 63 63 6209 1 . GLU 64 64 6209 1 . LYS 65 65 6209 1 . MET 66 66 6209 1 . LEU 67 67 6209 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 6209 _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 $Calmodulin_like_protein . 3702 organism . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6209 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 6209 _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 $Calmodulin_like_protein . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pDEST17 . . . . . . 6209 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6209 _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 'N-terminal domain of At3g03410.1' [U-15N] . . 1 $Calmodulin_like_protein . . 1 . . mM . . . . 6209 1 2 DTT . . . . . . . 5 . . mM . . . . 6209 1 3 Bis-Tris . . . . . . . 20 . . mM . . . . 6209 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 6209 1 5 DSS . . . . . . . 1 . . mM . . . . 6209 1 stop_ save_ save_2 _Sample.Sf_category sample _Sample.Sf_framecode 2 _Sample.Entry_ID 6209 _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 'N-terminal domain of At3g03410.1' '[U-15N; U-13C]' . . 1 $Calmodulin_like_protein . . 1 . . mM . . . . 6209 2 2 DTT . . . . . . . 5 . . mM . . . . 6209 2 3 Bis-Tris . . . . . . . 20 . . mM . . . . 6209 2 4 CaCl2 . . . . . . . 5 . . mM . . . . 6209 2 5 DSS . . . . . . . 1 . . mM . . . . 6209 2 stop_ save_ save_3 _Sample.Sf_category sample _Sample.Sf_framecode 3 _Sample.Entry_ID 6209 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Dissolved in 5% Pentaethylene Glycol Monododecyl Ether (weakly aligned medium)' _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 'N-terminal domain of At3g03410.1' '[U-15N; U-13C]' . . 1 $Calmodulin_like_protein . . 1 . . mM . . . . 6209 3 2 DTT . . . . . . . 5 . . mM . . . . 6209 3 3 Bis-Tris . . . . . . . 20 . . mM . . . . 6209 3 4 CaCl2 . . . . . . . 5 . . mM . . . . 6209 3 5 DSS . . . . . . . 1 . . mM . . . . 6209 3 6 PEG . . . . . . . 5 . . % . . . . 6209 3 stop_ save_ ####################### # Sample conditions # ####################### save_Conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Conditions_1 _Sample_condition_list.Entry_ID 6209 _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 6.4 0.2 pH 6209 1 temperature 298 1 K 6209 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6209 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . . 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data collection' 6209 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 6209 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6209 _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 Bruker DMX . 600 . . . 6209 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 6209 _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 HNCACB . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6209 1 2 HN(CO)CACB . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6209 1 3 'N15 edited NOESY' . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6209 1 4 'N15 edited TOCSY' . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6209 1 5 IPAP-HSQC . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6209 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6209 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6209 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6209 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'N15 edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6209 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'N15 edited TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6209 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name IPAP-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 6209 _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 0.00 internal indirect 1.0 . . . 1 $citation . . 1 $citation 6209 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citation . . 1 $citation 6209 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $citation . . 1 $citation 6209 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_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 6209 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions_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 . _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 $sample_1 . 6209 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 2 2 SER C C 13 175.508 0.10 . 1 . . . . . . . . 6209 1 2 . 1 1 2 2 SER CA C 13 59.472 0.10 . 1 . . . . . . . . 6209 1 3 . 1 1 2 2 SER CB C 13 63.633 0.10 . 1 . . . . . . . . 6209 1 4 . 1 1 2 2 SER HA H 1 4.596 0.05 . 1 . . . . . . . . 6209 1 5 . 1 1 2 2 SER HB2 H 1 4.040 0.05 . 2 . . . . . . . . 6209 1 6 . 1 1 2 2 SER HB3 H 1 4.101 0.05 . 2 . . . . . . . . 6209 1 7 . 1 1 3 3 ALA C C 13 179.029 0.10 . 1 . . . . . . . . 6209 1 8 . 1 1 3 3 ALA CA C 13 55.439 0.10 . 1 . . . . . . . . 6209 1 9 . 1 1 3 3 ALA CB C 13 19.431 0.10 . 1 . . . . . . . . 6209 1 10 . 1 1 3 3 ALA HA H 1 4.215 0.05 . 1 . . . . . . . . 6209 1 11 . 1 1 3 3 ALA H H 1 8.997 0.05 . 1 . . . . . . . . 6209 1 12 . 1 1 3 3 ALA N N 15 126.234 0.10 . 1 . . . . . . . . 6209 1 13 . 1 1 3 3 ALA HB1 H 1 1.570 0.05 . 1 . . . . . . . . 6209 1 14 . 1 1 3 3 ALA HB2 H 1 1.570 0.05 . 1 . . . . . . . . 6209 1 15 . 1 1 3 3 ALA HB3 H 1 1.570 0.05 . 1 . . . . . . . . 6209 1 16 . 1 1 4 4 LYS C C 13 178.197 0.05 . 1 . . . . . . . . 6209 1 17 . 1 1 4 4 LYS CA C 13 59.215 0.10 . 1 . . . . . . . . 6209 1 18 . 1 1 4 4 LYS CB C 13 32.518 0.10 . 1 . . . . . . . . 6209 1 19 . 1 1 4 4 LYS CD C 13 29.307 0.10 . 1 . . . . . . . . 6209 1 20 . 1 1 4 4 LYS CE C 13 42.150 0.10 . 1 . . . . . . . . 6209 1 21 . 1 1 4 4 LYS CG C 13 25.313 0.10 . 1 . . . . . . . . 6209 1 22 . 1 1 4 4 LYS HA H 1 4.126 0.05 . 1 . . . . . . . . 6209 1 23 . 1 1 4 4 LYS HB2 H 1 1.948 0.05 . 2 . . . . . . . . 6209 1 24 . 1 1 4 4 LYS HD2 H 1 1.726 0.05 . 2 . . . . . . . . 6209 1 25 . 1 1 4 4 LYS HE2 H 1 3.027 0.05 . 2 . . . . . . . . 6209 1 26 . 1 1 4 4 LYS HG2 H 1 1.540 0.05 . 2 . . . . . . . . 6209 1 27 . 1 1 4 4 LYS H H 1 8.236 0.05 . 1 . . . . . . . . 6209 1 28 . 1 1 4 4 LYS N N 15 119.550 0.10 . 1 . . . . . . . . 6209 1 29 . 1 1 5 5 ARG C C 13 179.538 0.10 . 1 . . . . . . . . 6209 1 30 . 1 1 5 5 ARG CA C 13 58.836 0.10 . 1 . . . . . . . . 6209 1 31 . 1 1 5 5 ARG CB C 13 30.164 0.10 . 1 . . . . . . . . 6209 1 32 . 1 1 5 5 ARG CD C 13 43.433 0.10 . 1 . . . . . . . . 6209 1 33 . 1 1 5 5 ARG CG C 13 27.627 0.10 . 1 . . . . . . . . 6209 1 34 . 1 1 5 5 ARG HA H 1 4.308 0.05 . 1 . . . . . . . . 6209 1 35 . 1 1 5 5 ARG HB2 H 1 2.105 0.05 . 2 . . . . . . . . 6209 1 36 . 1 1 5 5 ARG HD2 H 1 3.344 0.05 . 2 . . . . . . . . 6209 1 37 . 1 1 5 5 ARG HG2 H 1 1.858 0.05 . 2 . . . . . . . . 6209 1 38 . 1 1 5 5 ARG HG3 H 1 1.806 0.05 . 2 . . . . . . . . 6209 1 39 . 1 1 5 5 ARG H H 1 7.900 0.05 . 2 . . . . . . . . 6209 1 40 . 1 1 5 5 ARG N N 15 119.852 0.10 . 1 . . . . . . . . 6209 1 41 . 1 1 6 6 VAL C C 13 176.961 0.10 . 1 . . . . . . . . 6209 1 42 . 1 1 6 6 VAL CA C 13 66.918 0.10 . 1 . . . . . . . . 6209 1 43 . 1 1 6 6 VAL CB C 13 32.371 0.10 . 1 . . . . . . . . 6209 1 44 . 1 1 6 6 VAL CG1 C 13 23.139 0.20 . 1 . . . . . . . . 6209 1 45 . 1 1 6 6 VAL HA H 1 3.871 0.05 . 1 . . . . . . . . 6209 1 46 . 1 1 6 6 VAL HB H 1 2.527 0.05 . 1 . . . . . . . . 6209 1 47 . 1 1 6 6 VAL H H 1 8.100 0.05 . 1 . . . . . . . . 6209 1 48 . 1 1 6 6 VAL N N 15 122.024 0.05 . 1 . . . . . . . . 6209 1 49 . 1 1 6 6 VAL HG11 H 1 1.308 0.10 . 2 . . . . . . . . 6209 1 50 . 1 1 6 6 VAL HG12 H 1 1.308 0.10 . 2 . . . . . . . . 6209 1 51 . 1 1 6 6 VAL HG13 H 1 1.308 0.10 . 2 . . . . . . . . 6209 1 52 . 1 1 7 7 PHE C C 13 176.425 0.10 . 1 . . . . . . . . 6209 1 53 . 1 1 7 7 PHE CA C 13 62.189 0.10 . 1 . . . . . . . . 6209 1 54 . 1 1 7 7 PHE CB C 13 39.222 0.10 . 1 . . . . . . . . 6209 1 55 . 1 1 7 7 PHE HA H 1 3.464 0.05 . 1 . . . . . . . . 6209 1 56 . 1 1 7 7 PHE HB2 H 1 3.081 0.05 . 2 . . . . . . . . 6209 1 57 . 1 1 7 7 PHE HB3 H 1 3.438 0.05 . 2 . . . . . . . . 6209 1 58 . 1 1 7 7 PHE H H 1 8.359 0.05 . 1 . . . . . . . . 6209 1 59 . 1 1 7 7 PHE N N 15 121.905 0.05 . 1 . . . . . . . . 6209 1 60 . 1 1 7 7 PHE HD1 H 1 6.834 0.05 . 4 . . . . . . . . 6209 1 61 . 1 1 7 7 PHE HE1 H 1 6.967 0.05 . 4 . . . . . . . . 6209 1 62 . 1 1 8 8 GLU C C 13 179.048 0.10 . 1 . . . . . . . . 6209 1 63 . 1 1 8 8 GLU CA C 13 59.150 0.10 . 1 . . . . . . . . 6209 1 64 . 1 1 8 8 GLU CB C 13 29.955 0.10 . 1 . . . . . . . . 6209 1 65 . 1 1 8 8 GLU CG C 13 37.012 0.10 . 1 . . . . . . . . 6209 1 66 . 1 1 8 8 GLU HA H 1 4.059 0.05 . 1 . . . . . . . . 6209 1 67 . 1 1 8 8 GLU HB2 H 1 2.229 0.05 . 2 . . . . . . . . 6209 1 68 . 1 1 8 8 GLU HB3 H 1 2.124 0.05 . 2 . . . . . . . . 6209 1 69 . 1 1 8 8 GLU HG2 H 1 2.729 0.05 . 2 . . . . . . . . 6209 1 70 . 1 1 8 8 GLU HG3 H 1 2.471 0.05 . 2 . . . . . . . . 6209 1 71 . 1 1 8 8 GLU H H 1 8.211 0.05 . 1 . . . . . . . . 6209 1 72 . 1 1 8 8 GLU N N 15 115.687 0.10 . 1 . . . . . . . . 6209 1 73 . 1 1 9 9 LYS C C 13 178.025 0.10 . 1 . . . . . . . . 6209 1 74 . 1 1 9 9 LYS CA C 13 58.741 0.10 . 1 . . . . . . . . 6209 1 75 . 1 1 9 9 LYS CB C 13 32.460 0.10 . 1 . . . . . . . . 6209 1 76 . 1 1 9 9 LYS CD C 13 29.474 0.10 . 1 . . . . . . . . 6209 1 77 . 1 1 9 9 LYS CE C 13 42.160 0.10 . 1 . . . . . . . . 6209 1 78 . 1 1 9 9 LYS CG C 13 24.576 0.20 . 1 . . . . . . . . 6209 1 79 . 1 1 9 9 LYS HA H 1 3.902 0.05 . 1 . . . . . . . . 6209 1 80 . 1 1 9 9 LYS HB2 H 1 1.816 0.05 . 2 . . . . . . . . 6209 1 81 . 1 1 9 9 LYS HD2 H 1 1.509 0.05 . 2 . . . . . . . . 6209 1 82 . 1 1 9 9 LYS HD3 H 1 1.442 0.05 . 2 . . . . . . . . 6209 1 83 . 1 1 9 9 LYS HE2 H 1 2.722 0.05 . 2 . . . . . . . . 6209 1 84 . 1 1 9 9 LYS HG2 H 1 1.063 0.05 . 2 . . . . . . . . 6209 1 85 . 1 1 9 9 LYS HG3 H 1 0.557 0.05 . 2 . . . . . . . . 6209 1 86 . 1 1 9 9 LYS H H 1 7.814 0.05 . 1 . . . . . . . . 6209 1 87 . 1 1 9 9 LYS N N 15 119.885 0.10 . 1 . . . . . . . . 6209 1 88 . 1 1 10 10 PHE C C 13 175.164 0.10 . 1 . . . . . . . . 6209 1 89 . 1 1 10 10 PHE CA C 13 59.402 0.10 . 1 . . . . . . . . 6209 1 90 . 1 1 10 10 PHE CB C 13 39.474 0.10 . 1 . . . . . . . . 6209 1 91 . 1 1 10 10 PHE HA H 1 4.385 0.05 . 1 . . . . . . . . 6209 1 92 . 1 1 10 10 PHE HB2 H 1 3.168 0.05 . 2 . . . . . . . . 6209 1 93 . 1 1 10 10 PHE HB3 H 1 2.370 0.05 . 2 . . . . . . . . 6209 1 94 . 1 1 10 10 PHE H H 1 7.519 0.05 . 1 . . . . . . . . 6209 1 95 . 1 1 10 10 PHE N N 15 114.808 0.10 . 1 . . . . . . . . 6209 1 96 . 1 1 11 11 ASP C C 13 177.621 0.10 . 1 . . . . . . . . 6209 1 97 . 1 1 11 11 ASP CA C 13 52.638 0.10 . 1 . . . . . . . . 6209 1 98 . 1 1 11 11 ASP CB C 13 38.058 0.10 . 1 . . . . . . . . 6209 1 99 . 1 1 11 11 ASP HA H 1 4.572 0.05 . 1 . . . . . . . . 6209 1 100 . 1 1 11 11 ASP HB2 H 1 2.836 0.05 . 2 . . . . . . . . 6209 1 101 . 1 1 11 11 ASP HB3 H 1 2.027 0.05 . 2 . . . . . . . . 6209 1 102 . 1 1 11 11 ASP H H 1 7.489 0.05 . 1 . . . . . . . . 6209 1 103 . 1 1 11 11 ASP N N 15 122.545 0.05 . 1 . . . . . . . . 6209 1 104 . 1 1 12 12 LYS C C 13 177.745 0.10 . 1 . . . . . . . . 6209 1 105 . 1 1 12 12 LYS CA C 13 59.173 0.10 . 1 . . . . . . . . 6209 1 106 . 1 1 12 12 LYS CB C 13 33.086 0.10 . 1 . . . . . . . . 6209 1 107 . 1 1 12 12 LYS CD C 13 29.017 0.10 . 1 . . . . . . . . 6209 1 108 . 1 1 12 12 LYS CE C 13 42.105 0.10 . 1 . . . . . . . . 6209 1 109 . 1 1 12 12 LYS CG C 13 25.067 0.10 . 1 . . . . . . . . 6209 1 110 . 1 1 12 12 LYS HA H 1 4.007 0.05 . 1 . . . . . . . . 6209 1 111 . 1 1 12 12 LYS HB2 H 1 1.989 0.05 . 2 . . . . . . . . 6209 1 112 . 1 1 12 12 LYS HD2 H 1 1.808 0.05 . 2 . . . . . . . . 6209 1 113 . 1 1 12 12 LYS HE2 H 1 3.105 0.05 . 2 . . . . . . . . 6209 1 114 . 1 1 12 12 LYS HG2 H 1 1.556 0.05 . 2 . . . . . . . . 6209 1 115 . 1 1 12 12 LYS HG3 H 1 1.670 0.05 . 2 . . . . . . . . 6209 1 116 . 1 1 12 12 LYS H H 1 7.682 0.05 . 1 . . . . . . . . 6209 1 117 . 1 1 12 12 LYS N N 15 128.363 0.10 . 1 . . . . . . . . 6209 1 118 . 1 1 13 13 ASN C C 13 174.506 0.10 . 1 . . . . . . . . 6209 1 119 . 1 1 13 13 ASN CA C 13 51.740 0.10 . 1 . . . . . . . . 6209 1 120 . 1 1 13 13 ASN CB C 13 36.747 0.10 . 1 . . . . . . . . 6209 1 121 . 1 1 13 13 ASN HA H 1 4.833 0.05 . 1 . . . . . . . . 6209 1 122 . 1 1 13 13 ASN HB2 H 1 3.344 0.05 . 2 . . . . . . . . 6209 1 123 . 1 1 13 13 ASN HB3 H 1 2.854 0.05 . 2 . . . . . . . . 6209 1 124 . 1 1 13 13 ASN HD21 H 1 8.057 0.05 . 2 . . . . . . . . 6209 1 125 . 1 1 13 13 ASN HD22 H 1 6.712 0.05 . 2 . . . . . . . . 6209 1 126 . 1 1 13 13 ASN H H 1 7.946 0.05 . 1 . . . . . . . . 6209 1 127 . 1 1 13 13 ASN N N 15 113.684 0.10 . 1 . . . . . . . . 6209 1 128 . 1 1 13 13 ASN ND2 N 15 114.876 0.10 . 1 . . . . . . . . 6209 1 129 . 1 1 14 14 LYS C C 13 175.752 0.10 . 1 . . . . . . . . 6209 1 130 . 1 1 14 14 LYS CA C 13 57.023 0.20 . 1 . . . . . . . . 6209 1 131 . 1 1 14 14 LYS CB C 13 29.305 0.10 . 1 . . . . . . . . 6209 1 132 . 1 1 14 14 LYS CD C 13 28.917 0.10 . 1 . . . . . . . . 6209 1 133 . 1 1 14 14 LYS CE C 13 42.554 0.10 . 1 . . . . . . . . 6209 1 134 . 1 1 14 14 LYS CG C 13 24.837 0.20 . 1 . . . . . . . . 6209 1 135 . 1 1 14 14 LYS HA H 1 3.970 0.05 . 1 . . . . . . . . 6209 1 136 . 1 1 14 14 LYS HB2 H 1 1.999 0.05 . 2 . . . . . . . . 6209 1 137 . 1 1 14 14 LYS HD2 H 1 1.825 0.05 . 2 . . . . . . . . 6209 1 138 . 1 1 14 14 LYS HD3 H 1 1.729 0.05 . 2 . . . . . . . . 6209 1 139 . 1 1 14 14 LYS HE2 H 1 3.088 0.05 . 2 . . . . . . . . 6209 1 140 . 1 1 14 14 LYS HE3 H 1 3.060 0.05 . 2 . . . . . . . . 6209 1 141 . 1 1 14 14 LYS HG2 H 1 1.426 0.05 . 2 . . . . . . . . 6209 1 142 . 1 1 14 14 LYS H H 1 7.746 0.05 . 1 . . . . . . . . 6209 1 143 . 1 1 14 14 LYS N N 15 116.760 0.10 . 1 . . . . . . . . 6209 1 144 . 1 1 15 15 ASP C C 13 178.137 0.10 . 1 . . . . . . . . 6209 1 145 . 1 1 15 15 ASP CA C 13 52.873 0.10 . 1 . . . . . . . . 6209 1 146 . 1 1 15 15 ASP CB C 13 40.852 0.10 . 1 . . . . . . . . 6209 1 147 . 1 1 15 15 ASP HA H 1 4.779 0.05 . 1 . . . . . . . . 6209 1 148 . 1 1 15 15 ASP HB2 H 1 3.131 0.05 . 2 . . . . . . . . 6209 1 149 . 1 1 15 15 ASP HB3 H 1 2.482 0.05 . 2 . . . . . . . . 6209 1 150 . 1 1 15 15 ASP H H 1 8.311 0.05 . 1 . . . . . . . . 6209 1 151 . 1 1 15 15 ASP N N 15 118.730 0.10 . 1 . . . . . . . . 6209 1 152 . 1 1 16 16 GLY C C 13 173.227 0.10 . 1 . . . . . . . . 6209 1 153 . 1 1 16 16 GLY CA C 13 46.050 0.10 . 1 . . . . . . . . 6209 1 154 . 1 1 16 16 GLY HA2 H 1 3.753 0.05 . 2 . . . . . . . . 6209 1 155 . 1 1 16 16 GLY HA3 H 1 4.266 0.05 . 2 . . . . . . . . 6209 1 156 . 1 1 16 16 GLY H H 1 10.545 0.05 . 1 . . . . . . . . 6209 1 157 . 1 1 16 16 GLY N N 15 114.350 0.10 . 1 . . . . . . . . 6209 1 158 . 1 1 17 17 LYS C C 13 175.723 0.10 . 1 . . . . . . . . 6209 1 159 . 1 1 17 17 LYS CA C 13 53.939 0.10 . 1 . . . . . . . . 6209 1 160 . 1 1 17 17 LYS CB C 13 36.070 0.10 . 1 . . . . . . . . 6209 1 161 . 1 1 17 17 LYS CD C 13 29.255 0.10 . 1 . . . . . . . . 6209 1 162 . 1 1 17 17 LYS CE C 13 42.464 0.10 . 1 . . . . . . . . 6209 1 163 . 1 1 17 17 LYS CG C 13 24.005 0.10 . 1 . . . . . . . . 6209 1 164 . 1 1 17 17 LYS HA H 1 5.341 0.05 . 1 . . . . . . . . 6209 1 165 . 1 1 17 17 LYS HB2 H 1 1.618 0.05 . 2 . . . . . . . . 6209 1 166 . 1 1 17 17 LYS HD2 H 1 1.456 0.05 . 2 . . . . . . . . 6209 1 167 . 1 1 17 17 LYS HD3 H 1 1.646 0.05 . 2 . . . . . . . . 6209 1 168 . 1 1 17 17 LYS HE2 H 1 2.965 0.05 . 2 . . . . . . . . 6209 1 169 . 1 1 17 17 LYS HG2 H 1 1.314 0.05 . 2 . . . . . . . . 6209 1 170 . 1 1 17 17 LYS H H 1 7.979 0.05 . 1 . . . . . . . . 6209 1 171 . 1 1 17 17 LYS N N 15 119.026 0.10 . 1 . . . . . . . . 6209 1 172 . 1 1 18 18 LEU C C 13 177.150 0.10 . 1 . . . . . . . . 6209 1 173 . 1 1 18 18 LEU CA C 13 53.173 0.10 . 1 . . . . . . . . 6209 1 174 . 1 1 18 18 LEU CB C 13 43.433 0.10 . 1 . . . . . . . . 6209 1 175 . 1 1 18 18 LEU CD1 C 13 22.941 0.10 . 1 . . . . . . . . 6209 1 176 . 1 1 18 18 LEU CD2 C 13 26.893 0.10 . 1 . . . . . . . . 6209 1 177 . 1 1 18 18 LEU CG C 13 26.606 0.10 . 1 . . . . . . . . 6209 1 178 . 1 1 18 18 LEU HA H 1 5.745 0.05 . 1 . . . . . . . . 6209 1 179 . 1 1 18 18 LEU HB2 H 1 1.863 0.05 . 2 . . . . . . . . 6209 1 180 . 1 1 18 18 LEU HB3 H 1 1.516 0.05 . 2 . . . . . . . . 6209 1 181 . 1 1 18 18 LEU HG H 1 1.171 0.05 . 1 . . . . . . . . 6209 1 182 . 1 1 18 18 LEU H H 1 9.731 0.05 . 1 . . . . . . . . 6209 1 183 . 1 1 18 18 LEU N N 15 124.947 0.10 . 1 . . . . . . . . 6209 1 184 . 1 1 18 18 LEU HD11 H 1 0.353 0.05 . 2 . . . . . . . . 6209 1 185 . 1 1 18 18 LEU HD12 H 1 0.353 0.05 . 2 . . . . . . . . 6209 1 186 . 1 1 18 18 LEU HD13 H 1 0.353 0.05 . 2 . . . . . . . . 6209 1 187 . 1 1 18 18 LEU HD21 H 1 0.342 0.05 . 2 . . . . . . . . 6209 1 188 . 1 1 18 18 LEU HD22 H 1 0.342 0.05 . 2 . . . . . . . . 6209 1 189 . 1 1 18 18 LEU HD23 H 1 0.342 0.05 . 2 . . . . . . . . 6209 1 190 . 1 1 19 19 SER C C 13 175.336 0.10 . 1 . . . . . . . . 6209 1 191 . 1 1 19 19 SER CA C 13 56.191 0.10 . 1 . . . . . . . . 6209 1 192 . 1 1 19 19 SER CB C 13 65.840 0.10 . 1 . . . . . . . . 6209 1 193 . 1 1 19 19 SER HA H 1 4.936 0.05 . 1 . . . . . . . . 6209 1 194 . 1 1 19 19 SER HB2 H 1 4.509 0.05 . 2 . . . . . . . . 6209 1 195 . 1 1 19 19 SER HB3 H 1 4.086 0.05 . 2 . . . . . . . . 6209 1 196 . 1 1 19 19 SER H H 1 9.006 0.05 . 1 . . . . . . . . 6209 1 197 . 1 1 19 19 SER N N 15 121.155 0.10 . 1 . . . . . . . . 6209 1 198 . 1 1 20 20 LEU C C 13 178.403 0.10 . 1 . . . . . . . . 6209 1 199 . 1 1 20 20 LEU CA C 13 59.179 0.10 . 1 . . . . . . . . 6209 1 200 . 1 1 20 20 LEU CB C 13 40.624 0.10 . 1 . . . . . . . . 6209 1 201 . 1 1 20 20 LEU CD1 C 13 25.737 0.10 . 1 . . . . . . . . 6209 1 202 . 1 1 20 20 LEU CD2 C 13 23.213 0.10 . 1 . . . . . . . . 6209 1 203 . 1 1 20 20 LEU CG C 13 27.217 0.20 . 1 . . . . . . . . 6209 1 204 . 1 1 20 20 LEU HA H 1 3.631 0.05 . 1 . . . . . . . . 6209 1 205 . 1 1 20 20 LEU HB2 H 1 1.542 0.05 . 2 . . . . . . . . 6209 1 206 . 1 1 20 20 LEU HB3 H 1 0.712 0.05 . 2 . . . . . . . . 6209 1 207 . 1 1 20 20 LEU HG H 1 1.277 0.05 . 1 . . . . . . . . 6209 1 208 . 1 1 20 20 LEU H H 1 9.070 0.05 . 1 . . . . . . . . 6209 1 209 . 1 1 20 20 LEU N N 15 124.998 0.10 . 1 . . . . . . . . 6209 1 210 . 1 1 20 20 LEU HD11 H 1 0.745 0.05 . 2 . . . . . . . . 6209 1 211 . 1 1 20 20 LEU HD12 H 1 0.745 0.05 . 2 . . . . . . . . 6209 1 212 . 1 1 20 20 LEU HD13 H 1 0.745 0.05 . 2 . . . . . . . . 6209 1 213 . 1 1 20 20 LEU HD21 H 1 0.562 0.05 . 2 . . . . . . . . 6209 1 214 . 1 1 20 20 LEU HD22 H 1 0.562 0.05 . 2 . . . . . . . . 6209 1 215 . 1 1 20 20 LEU HD23 H 1 0.562 0.05 . 2 . . . . . . . . 6209 1 216 . 1 1 21 21 ASP C C 13 179.341 0.10 . 1 . . . . . . . . 6209 1 217 . 1 1 21 21 ASP CA C 13 57.531 0.10 . 1 . . . . . . . . 6209 1 218 . 1 1 21 21 ASP CB C 13 40.600 0.10 . 1 . . . . . . . . 6209 1 219 . 1 1 21 21 ASP HA H 1 4.384 0.05 . 1 . . . . . . . . 6209 1 220 . 1 1 21 21 ASP HB2 H 1 2.695 0.05 . 2 . . . . . . . . 6209 1 221 . 1 1 21 21 ASP HB3 H 1 2.623 0.05 . 2 . . . . . . . . 6209 1 222 . 1 1 21 21 ASP H H 1 8.283 0.05 . 1 . . . . . . . . 6209 1 223 . 1 1 21 21 ASP N N 15 117.675 0.10 . 1 . . . . . . . . 6209 1 224 . 1 1 22 22 GLU C C 13 179.693 0.10 . 1 . . . . . . . . 6209 1 225 . 1 1 22 22 GLU CA C 13 58.431 0.10 . 1 . . . . . . . . 6209 1 226 . 1 1 22 22 GLU CB C 13 30.637 0.10 . 1 . . . . . . . . 6209 1 227 . 1 1 22 22 GLU CG C 13 37.177 0.20 . 1 . . . . . . . . 6209 1 228 . 1 1 22 22 GLU HA H 1 4.447 0.05 . 1 . . . . . . . . 6209 1 229 . 1 1 22 22 GLU HB2 H 1 2.490 0.05 . 2 . . . . . . . . 6209 1 230 . 1 1 22 22 GLU HB3 H 1 2.389 0.05 . 2 . . . . . . . . 6209 1 231 . 1 1 22 22 GLU HG2 H 1 2.637 0.05 . 2 . . . . . . . . 6209 1 232 . 1 1 22 22 GLU HG3 H 1 2.452 0.05 . 2 . . . . . . . . 6209 1 233 . 1 1 22 22 GLU H H 1 7.695 0.05 . 1 . . . . . . . . 6209 1 234 . 1 1 22 22 GLU N N 15 120.933 0.10 . 1 . . . . . . . . 6209 1 235 . 1 1 23 23 PHE C C 13 176.259 0.10 . 1 . . . . . . . . 6209 1 236 . 1 1 23 23 PHE CA C 13 61.285 0.10 . 1 . . . . . . . . 6209 1 237 . 1 1 23 23 PHE CB C 13 40.173 0.10 . 1 . . . . . . . . 6209 1 238 . 1 1 23 23 PHE HA H 1 4.130 0.05 . 1 . . . . . . . . 6209 1 239 . 1 1 23 23 PHE HB2 H 1 3.324 0.05 . 2 . . . . . . . . 6209 1 240 . 1 1 23 23 PHE HB3 H 1 3.379 0.05 . 2 . . . . . . . . 6209 1 241 . 1 1 23 23 PHE H H 1 9.264 0.05 . 1 . . . . . . . . 6209 1 242 . 1 1 23 23 PHE N N 15 121.354 0.10 . 1 . . . . . . . . 6209 1 243 . 1 1 23 23 PHE HD1 H 1 7.120 0.10 . 4 . . . . . . . . 6209 1 244 . 1 1 23 23 PHE HE1 H 1 7.256 0.10 . 4 . . . . . . . . 6209 1 245 . 1 1 24 24 ARG C C 13 176.966 0.10 . 1 . . . . . . . . 6209 1 246 . 1 1 24 24 ARG CA C 13 60.160 0.10 . 1 . . . . . . . . 6209 1 247 . 1 1 24 24 ARG CB C 13 29.848 0.10 . 1 . . . . . . . . 6209 1 248 . 1 1 24 24 ARG CD C 13 43.445 0.10 . 1 . . . . . . . . 6209 1 249 . 1 1 24 24 ARG CG C 13 27.879 0.10 . 1 . . . . . . . . 6209 1 250 . 1 1 24 24 ARG HA H 1 3.794 0.05 . 1 . . . . . . . . 6209 1 251 . 1 1 24 24 ARG HB2 H 1 2.042 0.05 . 2 . . . . . . . . 6209 1 252 . 1 1 24 24 ARG HD2 H 1 3.378 0.05 . 2 . . . . . . . . 6209 1 253 . 1 1 24 24 ARG HE H 1 7.450 0.05 . 1 . . . . . . . . 6209 1 254 . 1 1 24 24 ARG HG2 H 1 1.614 0.05 . 2 . . . . . . . . 6209 1 255 . 1 1 24 24 ARG HG3 H 1 1.835 0.05 . 2 . . . . . . . . 6209 1 256 . 1 1 24 24 ARG H H 1 8.794 0.05 . 1 . . . . . . . . 6209 1 257 . 1 1 24 24 ARG N N 15 121.286 0.10 . 1 . . . . . . . . 6209 1 258 . 1 1 24 24 ARG NE N 15 85.774 0.10 . 1 . . . . . . . . 6209 1 259 . 1 1 25 25 GLU C C 13 178.796 0.10 . 1 . . . . . . . . 6209 1 260 . 1 1 25 25 GLU CA C 13 59.037 0.10 . 1 . . . . . . . . 6209 1 261 . 1 1 25 25 GLU CB C 13 29.421 0.10 . 1 . . . . . . . . 6209 1 262 . 1 1 25 25 GLU CG C 13 36.544 0.10 . 1 . . . . . . . . 6209 1 263 . 1 1 25 25 GLU HA H 1 4.034 0.05 . 1 . . . . . . . . 6209 1 264 . 1 1 25 25 GLU HB2 H 1 2.374 0.05 . 2 . . . . . . . . 6209 1 265 . 1 1 25 25 GLU HG2 H 1 2.650 0.05 . 2 . . . . . . . . 6209 1 266 . 1 1 25 25 GLU HG3 H 1 2.420 0.05 . 2 . . . . . . . . 6209 1 267 . 1 1 25 25 GLU H H 1 6.959 0.05 . 1 . . . . . . . . 6209 1 268 . 1 1 25 25 GLU N N 15 114.590 0.10 . 1 . . . . . . . . 6209 1 269 . 1 1 26 26 VAL C C 13 177.161 0.10 . 1 . . . . . . . . 6209 1 270 . 1 1 26 26 VAL CA C 13 64.947 0.10 . 1 . . . . . . . . 6209 1 271 . 1 1 26 26 VAL CB C 13 30.652 0.10 . 1 . . . . . . . . 6209 1 272 . 1 1 26 26 VAL CG1 C 13 21.327 0.20 . 1 . . . . . . . . 6209 1 273 . 1 1 26 26 VAL CG2 C 13 22.445 0.10 . 1 . . . . . . . . 6209 1 274 . 1 1 26 26 VAL HA H 1 2.546 0.05 . 1 . . . . . . . . 6209 1 275 . 1 1 26 26 VAL HB H 1 1.725 0.05 . 1 . . . . . . . . 6209 1 276 . 1 1 26 26 VAL H H 1 6.921 0.05 . 1 . . . . . . . . 6209 1 277 . 1 1 26 26 VAL N N 15 121.223 0.10 . 1 . . . . . . . . 6209 1 278 . 1 1 26 26 VAL HG11 H 1 0.685 0.05 . 2 . . . . . . . . 6209 1 279 . 1 1 26 26 VAL HG12 H 1 0.685 0.05 . 2 . . . . . . . . 6209 1 280 . 1 1 26 26 VAL HG13 H 1 0.685 0.05 . 2 . . . . . . . . 6209 1 281 . 1 1 26 26 VAL HG21 H 1 0.476 0.05 . 2 . . . . . . . . 6209 1 282 . 1 1 26 26 VAL HG22 H 1 0.476 0.05 . 2 . . . . . . . . 6209 1 283 . 1 1 26 26 VAL HG23 H 1 0.476 0.05 . 2 . . . . . . . . 6209 1 284 . 1 1 27 27 ALA C C 13 179.512 0.10 . 1 . . . . . . . . 6209 1 285 . 1 1 27 27 ALA CA C 13 55.443 0.10 . 1 . . . . . . . . 6209 1 286 . 1 1 27 27 ALA CB C 13 17.938 0.10 . 1 . . . . . . . . 6209 1 287 . 1 1 27 27 ALA HA H 1 3.764 0.05 . 1 . . . . . . . . 6209 1 288 . 1 1 27 27 ALA H H 1 7.739 0.05 . 1 . . . . . . . . 6209 1 289 . 1 1 27 27 ALA N N 15 121.408 0.10 . 1 . . . . . . . . 6209 1 290 . 1 1 27 27 ALA HB1 H 1 1.093 0.05 . 1 . . . . . . . . 6209 1 291 . 1 1 27 27 ALA HB2 H 1 1.093 0.05 . 1 . . . . . . . . 6209 1 292 . 1 1 27 27 ALA HB3 H 1 1.093 0.05 . 1 . . . . . . . . 6209 1 293 . 1 1 28 28 LEU C C 13 178.908 0.10 . 1 . . . . . . . . 6209 1 294 . 1 1 28 28 LEU CA C 13 56.400 0.10 . 1 . . . . . . . . 6209 1 295 . 1 1 28 28 LEU CB C 13 41.710 0.10 . 1 . . . . . . . . 6209 1 296 . 1 1 28 28 LEU CD1 C 13 23.155 0.10 . 1 . . . . . . . . 6209 1 297 . 1 1 28 28 LEU CD2 C 13 25.752 0.10 . 1 . . . . . . . . 6209 1 298 . 1 1 28 28 LEU CG C 13 27.239 0.10 . 1 . . . . . . . . 6209 1 299 . 1 1 28 28 LEU HA H 1 4.504 0.05 . 1 . . . . . . . . 6209 1 300 . 1 1 28 28 LEU HB2 H 1 1.750 0.05 . 2 . . . . . . . . 6209 1 301 . 1 1 28 28 LEU HB3 H 1 1.470 0.05 . 2 . . . . . . . . 6209 1 302 . 1 1 28 28 LEU HG H 1 1.899 0.05 . 1 . . . . . . . . 6209 1 303 . 1 1 28 28 LEU H H 1 7.969 0.05 . 1 . . . . . . . . 6209 1 304 . 1 1 28 28 LEU N N 15 116.595 0.05 . 1 . . . . . . . . 6209 1 305 . 1 1 28 28 LEU HD11 H 1 1.064 0.05 . 2 . . . . . . . . 6209 1 306 . 1 1 28 28 LEU HD12 H 1 1.064 0.05 . 2 . . . . . . . . 6209 1 307 . 1 1 28 28 LEU HD13 H 1 1.064 0.05 . 2 . . . . . . . . 6209 1 308 . 1 1 28 28 LEU HD21 H 1 0.893 0.05 . 2 . . . . . . . . 6209 1 309 . 1 1 28 28 LEU HD22 H 1 0.893 0.05 . 2 . . . . . . . . 6209 1 310 . 1 1 28 28 LEU HD23 H 1 0.893 0.05 . 2 . . . . . . . . 6209 1 311 . 1 1 29 29 ALA C C 13 179.310 0.10 . 1 . . . . . . . . 6209 1 312 . 1 1 29 29 ALA CA C 13 54.075 0.10 . 1 . . . . . . . . 6209 1 313 . 1 1 29 29 ALA CB C 13 18.240 0.10 . 1 . . . . . . . . 6209 1 314 . 1 1 29 29 ALA HA H 1 4.170 0.05 . 1 . . . . . . . . 6209 1 315 . 1 1 29 29 ALA H H 1 7.408 0.05 . 1 . . . . . . . . 6209 1 316 . 1 1 29 29 ALA N N 15 122.153 0.05 . 1 . . . . . . . . 6209 1 317 . 1 1 29 29 ALA HB1 H 1 1.475 0.05 . 1 . . . . . . . . 6209 1 318 . 1 1 29 29 ALA HB2 H 1 1.475 0.05 . 1 . . . . . . . . 6209 1 319 . 1 1 29 29 ALA HB3 H 1 1.475 0.05 . 1 . . . . . . . . 6209 1 320 . 1 1 30 30 PHE C C 13 178.397 0.10 . 1 . . . . . . . . 6209 1 321 . 1 1 30 30 PHE CA C 13 60.178 0.10 . 1 . . . . . . . . 6209 1 322 . 1 1 30 30 PHE CB C 13 39.847 0.10 . 1 . . . . . . . . 6209 1 323 . 1 1 30 30 PHE HA H 1 4.530 0.05 . 1 . . . . . . . . 6209 1 324 . 1 1 30 30 PHE HB2 H 1 3.369 0.05 . 2 . . . . . . . . 6209 1 325 . 1 1 30 30 PHE HB3 H 1 3.171 0.05 . 2 . . . . . . . . 6209 1 326 . 1 1 30 30 PHE H H 1 7.687 0.05 . 1 . . . . . . . . 6209 1 327 . 1 1 30 30 PHE N N 15 118.401 0.30 . 1 . . . . . . . . 6209 1 328 . 1 1 31 31 SER CA C 13 59.230 0.10 . 1 . . . . . . . . 6209 1 329 . 1 1 31 31 SER CB C 13 64.944 0.10 . 1 . . . . . . . . 6209 1 330 . 1 1 31 31 SER HA H 1 4.683 0.05 . 1 . . . . . . . . 6209 1 331 . 1 1 31 31 SER H H 1 8.303 0.05 . 1 . . . . . . . . 6209 1 332 . 1 1 31 31 SER N N 15 114.908 0.20 . 1 . . . . . . . . 6209 1 333 . 1 1 32 32 PRO C C 13 176.673 0.10 . 1 . . . . . . . . 6209 1 334 . 1 1 32 32 PRO CA C 13 63.523 0.10 . 1 . . . . . . . . 6209 1 335 . 1 1 32 32 PRO CB C 13 31.780 0.10 . 1 . . . . . . . . 6209 1 336 . 1 1 32 32 PRO CD C 13 50.609 0.10 . 1 . . . . . . . . 6209 1 337 . 1 1 32 32 PRO CG C 13 26.283 0.10 . 1 . . . . . . . . 6209 1 338 . 1 1 32 32 PRO HA H 1 4.565 0.05 . 1 . . . . . . . . 6209 1 339 . 1 1 32 32 PRO HB2 H 1 2.189 0.05 . 2 . . . . . . . . 6209 1 340 . 1 1 32 32 PRO HB3 H 1 1.521 0.05 . 2 . . . . . . . . 6209 1 341 . 1 1 32 32 PRO HD2 H 1 3.558 0.05 . 2 . . . . . . . . 6209 1 342 . 1 1 32 32 PRO HD3 H 1 3.503 0.05 . 2 . . . . . . . . 6209 1 343 . 1 1 32 32 PRO HG2 H 1 1.829 0.05 . 2 . . . . . . . . 6209 1 344 . 1 1 32 32 PRO HG3 H 1 1.205 0.05 . 2 . . . . . . . . 6209 1 345 . 1 1 33 33 TYR C C 13 176.386 0.10 . 1 . . . . . . . . 6209 1 346 . 1 1 33 33 TYR CA C 13 57.221 0.10 . 1 . . . . . . . . 6209 1 347 . 1 1 33 33 TYR CB C 13 38.236 0.10 . 1 . . . . . . . . 6209 1 348 . 1 1 33 33 TYR HA H 1 4.595 0.05 . 1 . . . . . . . . 6209 1 349 . 1 1 33 33 TYR HB2 H 1 3.292 0.05 . 2 . . . . . . . . 6209 1 350 . 1 1 33 33 TYR HB3 H 1 2.634 0.05 . 2 . . . . . . . . 6209 1 351 . 1 1 33 33 TYR H H 1 7.310 0.05 . 1 . . . . . . . . 6209 1 352 . 1 1 33 33 TYR N N 15 117.121 0.10 . 1 . . . . . . . . 6209 1 353 . 1 1 33 33 TYR HD1 H 1 7.040 0.05 . 4 . . . . . . . . 6209 1 354 . 1 1 33 33 TYR HE1 H 1 6.959 0.05 . 4 . . . . . . . . 6209 1 355 . 1 1 34 34 PHE C C 13 176.786 0.10 . 1 . . . . . . . . 6209 1 356 . 1 1 34 34 PHE CA C 13 57.270 0.10 . 1 . . . . . . . . 6209 1 357 . 1 1 34 34 PHE CB C 13 39.890 0.10 . 1 . . . . . . . . 6209 1 358 . 1 1 34 34 PHE HA H 1 5.071 0.05 . 1 . . . . . . . . 6209 1 359 . 1 1 34 34 PHE HB2 H 1 3.359 0.05 . 2 . . . . . . . . 6209 1 360 . 1 1 34 34 PHE HB3 H 1 3.006 0.05 . 2 . . . . . . . . 6209 1 361 . 1 1 34 34 PHE H H 1 7.246 0.05 . 1 . . . . . . . . 6209 1 362 . 1 1 34 34 PHE N N 15 121.144 0.10 . 1 . . . . . . . . 6209 1 363 . 1 1 34 34 PHE HD1 H 1 7.287 0.05 . 4 . . . . . . . . 6209 1 364 . 1 1 34 34 PHE HE1 H 1 7.445 0.05 . 4 . . . . . . . . 6209 1 365 . 1 1 35 35 THR C C 13 175.702 0.10 . 1 . . . . . . . . 6209 1 366 . 1 1 35 35 THR CA C 13 60.359 0.10 . 1 . . . . . . . . 6209 1 367 . 1 1 35 35 THR CB C 13 71.586 0.10 . 1 . . . . . . . . 6209 1 368 . 1 1 35 35 THR CG2 C 13 22.143 0.10 . 1 . . . . . . . . 6209 1 369 . 1 1 35 35 THR HA H 1 4.628 0.05 . 1 . . . . . . . . 6209 1 370 . 1 1 35 35 THR HB H 1 4.812 0.05 . 1 . . . . . . . . 6209 1 371 . 1 1 35 35 THR H H 1 9.221 0.05 . 1 . . . . . . . . 6209 1 372 . 1 1 35 35 THR N N 15 115.550 0.05 . 1 . . . . . . . . 6209 1 373 . 1 1 35 35 THR HG21 H 1 1.492 0.05 . 1 . . . . . . . . 6209 1 374 . 1 1 35 35 THR HG22 H 1 1.492 0.05 . 1 . . . . . . . . 6209 1 375 . 1 1 35 35 THR HG23 H 1 1.492 0.05 . 1 . . . . . . . . 6209 1 376 . 1 1 36 36 GLN C C 13 177.935 0.10 . 1 . . . . . . . . 6209 1 377 . 1 1 36 36 GLN CA C 13 59.095 0.10 . 1 . . . . . . . . 6209 1 378 . 1 1 36 36 GLN CB C 13 27.668 0.10 . 1 . . . . . . . . 6209 1 379 . 1 1 36 36 GLN CG C 13 32.750 0.10 . 1 . . . . . . . . 6209 1 380 . 1 1 36 36 GLN HA H 1 4.138 0.05 . 1 . . . . . . . . 6209 1 381 . 1 1 36 36 GLN HB2 H 1 2.077 0.05 . 2 . . . . . . . . 6209 1 382 . 1 1 36 36 GLN HB3 H 1 2.232 0.05 . 2 . . . . . . . . 6209 1 383 . 1 1 36 36 GLN HE21 H 1 7.448 0.05 . 2 . . . . . . . . 6209 1 384 . 1 1 36 36 GLN HE22 H 1 6.563 0.05 . 2 . . . . . . . . 6209 1 385 . 1 1 36 36 GLN HG2 H 1 2.524 0.05 . 2 . . . . . . . . 6209 1 386 . 1 1 36 36 GLN HG3 H 1 2.489 0.05 . 2 . . . . . . . . 6209 1 387 . 1 1 36 36 GLN H H 1 9.028 0.05 . 1 . . . . . . . . 6209 1 388 . 1 1 36 36 GLN N N 15 122.343 0.10 . 1 . . . . . . . . 6209 1 389 . 1 1 36 36 GLN NE2 N 15 111.235 0.10 . 1 . . . . . . . . 6209 1 390 . 1 1 37 37 GLU C C 13 179.087 0.10 . 1 . . . . . . . . 6209 1 391 . 1 1 37 37 GLU CA C 13 60.074 0.10 . 1 . . . . . . . . 6209 1 392 . 1 1 37 37 GLU CB C 13 29.241 0.10 . 1 . . . . . . . . 6209 1 393 . 1 1 37 37 GLU CG C 13 37.130 0.10 . 1 . . . . . . . . 6209 1 394 . 1 1 37 37 GLU HA H 1 4.026 0.05 . 1 . . . . . . . . 6209 1 395 . 1 1 37 37 GLU HB2 H 1 2.066 0.05 . 2 . . . . . . . . 6209 1 396 . 1 1 37 37 GLU HB3 H 1 1.983 0.05 . 2 . . . . . . . . 6209 1 397 . 1 1 37 37 GLU HG2 H 1 2.436 0.05 . 2 . . . . . . . . 6209 1 398 . 1 1 37 37 GLU HG3 H 1 2.332 0.05 . 2 . . . . . . . . 6209 1 399 . 1 1 37 37 GLU H H 1 8.591 0.05 . 1 . . . . . . . . 6209 1 400 . 1 1 37 37 GLU N N 15 118.877 0.10 . 1 . . . . . . . . 6209 1 401 . 1 1 38 38 ASP C C 13 177.928 0.10 . 1 . . . . . . . . 6209 1 402 . 1 1 38 38 ASP CA C 13 57.066 0.10 . 1 . . . . . . . . 6209 1 403 . 1 1 38 38 ASP CB C 13 40.852 0.10 . 1 . . . . . . . . 6209 1 404 . 1 1 38 38 ASP HA H 1 4.257 0.05 . 1 . . . . . . . . 6209 1 405 . 1 1 38 38 ASP HB2 H 1 3.000 0.05 . 2 . . . . . . . . 6209 1 406 . 1 1 38 38 ASP HB3 H 1 2.304 0.05 . 2 . . . . . . . . 6209 1 407 . 1 1 38 38 ASP H H 1 7.770 0.05 . 1 . . . . . . . . 6209 1 408 . 1 1 38 38 ASP N N 15 121.627 0.10 . 1 . . . . . . . . 6209 1 409 . 1 1 39 39 ILE C C 13 177.537 0.10 . 1 . . . . . . . . 6209 1 410 . 1 1 39 39 ILE CA C 13 66.460 0.20 . 1 . . . . . . . . 6209 1 411 . 1 1 39 39 ILE CB C 13 37.997 0.10 . 1 . . . . . . . . 6209 1 412 . 1 1 39 39 ILE CD1 C 13 13.786 0.10 . 1 . . . . . . . . 6209 1 413 . 1 1 39 39 ILE CG1 C 13 30.230 0.10 . 1 . . . . . . . . 6209 1 414 . 1 1 39 39 ILE CG2 C 13 17.613 0.10 . 1 . . . . . . . . 6209 1 415 . 1 1 39 39 ILE HA H 1 3.576 0.05 . 1 . . . . . . . . 6209 1 416 . 1 1 39 39 ILE HB H 1 2.097 0.05 . 1 . . . . . . . . 6209 1 417 . 1 1 39 39 ILE HG12 H 1 0.804 0.05 . 2 . . . . . . . . 6209 1 418 . 1 1 39 39 ILE HG13 H 1 1.982 0.05 . 2 . . . . . . . . 6209 1 419 . 1 1 39 39 ILE H H 1 8.067 0.05 . 1 . . . . . . . . 6209 1 420 . 1 1 39 39 ILE N N 15 122.000 0.10 . 1 . . . . . . . . 6209 1 421 . 1 1 39 39 ILE HD11 H 1 0.909 0.05 . 1 . . . . . . . . 6209 1 422 . 1 1 39 39 ILE HD12 H 1 0.909 0.05 . 1 . . . . . . . . 6209 1 423 . 1 1 39 39 ILE HD13 H 1 0.909 0.05 . 1 . . . . . . . . 6209 1 424 . 1 1 39 39 ILE HG21 H 1 1.029 0.05 . 1 . . . . . . . . 6209 1 425 . 1 1 39 39 ILE HG22 H 1 1.029 0.05 . 1 . . . . . . . . 6209 1 426 . 1 1 39 39 ILE HG23 H 1 1.029 0.05 . 1 . . . . . . . . 6209 1 427 . 1 1 40 40 VAL C C 13 177.545 0.10 . 1 . . . . . . . . 6209 1 428 . 1 1 40 40 VAL CA C 13 67.046 0.10 . 1 . . . . . . . . 6209 1 429 . 1 1 40 40 VAL CB C 13 31.875 0.20 . 1 . . . . . . . . 6209 1 430 . 1 1 40 40 VAL CG1 C 13 23.446 0.10 . 1 . . . . . . . . 6209 1 431 . 1 1 40 40 VAL CG2 C 13 21.450 0.10 . 1 . . . . . . . . 6209 1 432 . 1 1 40 40 VAL HA H 1 3.667 0.05 . 1 . . . . . . . . 6209 1 433 . 1 1 40 40 VAL HB H 1 2.140 0.05 . 1 . . . . . . . . 6209 1 434 . 1 1 40 40 VAL H H 1 8.212 0.05 . 1 . . . . . . . . 6209 1 435 . 1 1 40 40 VAL N N 15 121.201 0.10 . 1 . . . . . . . . 6209 1 436 . 1 1 40 40 VAL HG11 H 1 1.151 0.05 . 2 . . . . . . . . 6209 1 437 . 1 1 40 40 VAL HG12 H 1 1.151 0.05 . 2 . . . . . . . . 6209 1 438 . 1 1 40 40 VAL HG13 H 1 1.151 0.05 . 2 . . . . . . . . 6209 1 439 . 1 1 40 40 VAL HG21 H 1 1.024 0.05 . 2 . . . . . . . . 6209 1 440 . 1 1 40 40 VAL HG22 H 1 1.024 0.05 . 2 . . . . . . . . 6209 1 441 . 1 1 40 40 VAL HG23 H 1 1.024 0.05 . 2 . . . . . . . . 6209 1 442 . 1 1 41 41 LYS C C 13 179.606 0.10 . 1 . . . . . . . . 6209 1 443 . 1 1 41 41 LYS CA C 13 59.490 0.20 . 1 . . . . . . . . 6209 1 444 . 1 1 41 41 LYS CB C 13 32.181 0.10 . 1 . . . . . . . . 6209 1 445 . 1 1 41 41 LYS CD C 13 28.223 0.10 . 1 . . . . . . . . 6209 1 446 . 1 1 41 41 LYS CE C 13 42.168 0.10 . 1 . . . . . . . . 6209 1 447 . 1 1 41 41 LYS CG C 13 25.054 0.10 . 1 . . . . . . . . 6209 1 448 . 1 1 41 41 LYS HA H 1 4.147 0.05 . 1 . . . . . . . . 6209 1 449 . 1 1 41 41 LYS HB2 H 1 1.909 0.05 . 2 . . . . . . . . 6209 1 450 . 1 1 41 41 LYS HD2 H 1 1.721 0.05 . 2 . . . . . . . . 6209 1 451 . 1 1 41 41 LYS HE2 H 1 2.992 0.05 . 2 . . . . . . . . 6209 1 452 . 1 1 41 41 LYS HG2 H 1 1.456 0.05 . 2 . . . . . . . . 6209 1 453 . 1 1 41 41 LYS HG3 H 1 1.598 0.05 . 2 . . . . . . . . 6209 1 454 . 1 1 41 41 LYS H H 1 7.651 0.05 . 1 . . . . . . . . 6209 1 455 . 1 1 41 41 LYS N N 15 120.489 0.10 . 1 . . . . . . . . 6209 1 456 . 1 1 42 42 PHE C C 13 177.406 0.10 . 1 . . . . . . . . 6209 1 457 . 1 1 42 42 PHE CA C 13 58.770 0.10 . 1 . . . . . . . . 6209 1 458 . 1 1 42 42 PHE CB C 13 39.048 0.10 . 1 . . . . . . . . 6209 1 459 . 1 1 42 42 PHE HA H 1 4.684 0.05 . 1 . . . . . . . . 6209 1 460 . 1 1 42 42 PHE HB2 H 1 3.419 0.05 . 2 . . . . . . . . 6209 1 461 . 1 1 42 42 PHE H H 1 8.219 0.05 . 1 . . . . . . . . 6209 1 462 . 1 1 42 42 PHE N N 15 120.716 0.20 . 1 . . . . . . . . 6209 1 463 . 1 1 43 43 PHE C C 13 176.836 0.10 . 1 . . . . . . . . 6209 1 464 . 1 1 43 43 PHE CA C 13 62.221 0.10 . 1 . . . . . . . . 6209 1 465 . 1 1 43 43 PHE CB C 13 39.707 0.10 . 1 . . . . . . . . 6209 1 466 . 1 1 43 43 PHE HA H 1 3.144 0.05 . 1 . . . . . . . . 6209 1 467 . 1 1 43 43 PHE HB2 H 1 3.364 0.05 . 2 . . . . . . . . 6209 1 468 . 1 1 43 43 PHE HB3 H 1 2.974 0.05 . 2 . . . . . . . . 6209 1 469 . 1 1 43 43 PHE H H 1 8.756 0.05 . 1 . . . . . . . . 6209 1 470 . 1 1 43 43 PHE N N 15 121.387 0.10 . 1 . . . . . . . . 6209 1 471 . 1 1 43 43 PHE HD1 H 1 6.841 0.05 . 4 . . . . . . . . 6209 1 472 . 1 1 43 43 PHE HE1 H 1 6.972 0.05 . 4 . . . . . . . . 6209 1 473 . 1 1 44 44 GLU C C 13 178.965 0.10 . 1 . . . . . . . . 6209 1 474 . 1 1 44 44 GLU CA C 13 59.134 0.10 . 1 . . . . . . . . 6209 1 475 . 1 1 44 44 GLU CB C 13 29.666 0.10 . 1 . . . . . . . . 6209 1 476 . 1 1 44 44 GLU CG C 13 37.045 0.10 . 1 . . . . . . . . 6209 1 477 . 1 1 44 44 GLU HA H 1 4.040 0.05 . 1 . . . . . . . . 6209 1 478 . 1 1 44 44 GLU HB2 H 1 2.286 0.05 . 2 . . . . . . . . 6209 1 479 . 1 1 44 44 GLU HB3 H 1 2.131 0.05 . 2 . . . . . . . . 6209 1 480 . 1 1 44 44 GLU HG2 H 1 2.854 0.05 . 2 . . . . . . . . 6209 1 481 . 1 1 44 44 GLU HG3 H 1 2.460 0.05 . 2 . . . . . . . . 6209 1 482 . 1 1 44 44 GLU H H 1 8.533 0.05 . 1 . . . . . . . . 6209 1 483 . 1 1 44 44 GLU N N 15 116.746 0.10 . 1 . . . . . . . . 6209 1 484 . 1 1 45 45 GLU C C 13 178.466 0.10 . 1 . . . . . . . . 6209 1 485 . 1 1 45 45 GLU CA C 13 58.696 0.10 . 1 . . . . . . . . 6209 1 486 . 1 1 45 45 GLU CB C 13 29.699 0.10 . 1 . . . . . . . . 6209 1 487 . 1 1 45 45 GLU CG C 13 36.313 0.10 . 1 . . . . . . . . 6209 1 488 . 1 1 45 45 GLU HA H 1 4.028 0.05 . 1 . . . . . . . . 6209 1 489 . 1 1 45 45 GLU HB2 H 1 2.327 0.05 . 2 . . . . . . . . 6209 1 490 . 1 1 45 45 GLU HB3 H 1 2.154 0.05 . 2 . . . . . . . . 6209 1 491 . 1 1 45 45 GLU HG2 H 1 2.475 0.05 . 2 . . . . . . . . 6209 1 492 . 1 1 45 45 GLU HG3 H 1 2.286 0.05 . 2 . . . . . . . . 6209 1 493 . 1 1 45 45 GLU H H 1 7.746 0.05 . 1 . . . . . . . . 6209 1 494 . 1 1 45 45 GLU N N 15 119.517 0.10 . 1 . . . . . . . . 6209 1 495 . 1 1 46 46 ILE C C 13 176.862 0.10 . 1 . . . . . . . . 6209 1 496 . 1 1 46 46 ILE CA C 13 62.585 0.10 . 1 . . . . . . . . 6209 1 497 . 1 1 46 46 ILE CB C 13 37.916 0.10 . 1 . . . . . . . . 6209 1 498 . 1 1 46 46 ILE CD1 C 13 15.019 0.10 . 1 . . . . . . . . 6209 1 499 . 1 1 46 46 ILE CG1 C 13 27.713 0.20 . 1 . . . . . . . . 6209 1 500 . 1 1 46 46 ILE CG2 C 13 19.773 0.10 . 1 . . . . . . . . 6209 1 501 . 1 1 46 46 ILE HA H 1 3.903 0.05 . 1 . . . . . . . . 6209 1 502 . 1 1 46 46 ILE HB H 1 1.538 0.05 . 1 . . . . . . . . 6209 1 503 . 1 1 46 46 ILE HG12 H 1 1.029 0.05 . 2 . . . . . . . . 6209 1 504 . 1 1 46 46 ILE HG13 H 1 1.539 0.05 . 2 . . . . . . . . 6209 1 505 . 1 1 46 46 ILE H H 1 7.607 0.05 . 1 . . . . . . . . 6209 1 506 . 1 1 46 46 ILE N N 15 118.394 0.20 . 1 . . . . . . . . 6209 1 507 . 1 1 46 46 ILE HD11 H 1 0.476 0.05 . 1 . . . . . . . . 6209 1 508 . 1 1 46 46 ILE HD12 H 1 0.476 0.05 . 1 . . . . . . . . 6209 1 509 . 1 1 46 46 ILE HD13 H 1 0.476 0.05 . 1 . . . . . . . . 6209 1 510 . 1 1 46 46 ILE HG21 H 1 0.836 0.05 . 1 . . . . . . . . 6209 1 511 . 1 1 46 46 ILE HG22 H 1 0.836 0.05 . 1 . . . . . . . . 6209 1 512 . 1 1 46 46 ILE HG23 H 1 0.836 0.05 . 1 . . . . . . . . 6209 1 513 . 1 1 47 47 ASP C C 13 177.553 0.10 . 1 . . . . . . . . 6209 1 514 . 1 1 47 47 ASP CA C 13 52.685 0.10 . 1 . . . . . . . . 6209 1 515 . 1 1 47 47 ASP CB C 13 38.618 0.10 . 1 . . . . . . . . 6209 1 516 . 1 1 47 47 ASP HA H 1 4.391 0.05 . 1 . . . . . . . . 6209 1 517 . 1 1 47 47 ASP HB2 H 1 2.649 0.05 . 2 . . . . . . . . 6209 1 518 . 1 1 47 47 ASP HB3 H 1 1.741 0.05 . 2 . . . . . . . . 6209 1 519 . 1 1 47 47 ASP H H 1 7.659 0.05 . 1 . . . . . . . . 6209 1 520 . 1 1 47 47 ASP N N 15 121.794 0.10 . 1 . . . . . . . . 6209 1 521 . 1 1 48 48 VAL C C 13 178.015 0.10 . 1 . . . . . . . . 6209 1 522 . 1 1 48 48 VAL CA C 13 65.800 0.10 . 1 . . . . . . . . 6209 1 523 . 1 1 48 48 VAL CB C 13 32.182 0.10 . 1 . . . . . . . . 6209 1 524 . 1 1 48 48 VAL CG1 C 13 21.525 0.10 . 1 . . . . . . . . 6209 1 525 . 1 1 48 48 VAL CG2 C 13 21.772 0.10 . 1 . . . . . . . . 6209 1 526 . 1 1 48 48 VAL HA H 1 3.806 0.05 . 1 . . . . . . . . 6209 1 527 . 1 1 48 48 VAL HB H 1 2.172 0.05 . 1 . . . . . . . . 6209 1 528 . 1 1 48 48 VAL H H 1 8.039 0.05 . 1 . . . . . . . . 6209 1 529 . 1 1 48 48 VAL N N 15 126.600 0.20 . 1 . . . . . . . . 6209 1 530 . 1 1 48 48 VAL HG11 H 1 1.145 0.05 . 2 . . . . . . . . 6209 1 531 . 1 1 48 48 VAL HG12 H 1 1.145 0.05 . 2 . . . . . . . . 6209 1 532 . 1 1 48 48 VAL HG13 H 1 1.145 0.05 . 2 . . . . . . . . 6209 1 533 . 1 1 48 48 VAL HG21 H 1 1.044 0.05 . 2 . . . . . . . . 6209 1 534 . 1 1 48 48 VAL HG22 H 1 1.044 0.05 . 2 . . . . . . . . 6209 1 535 . 1 1 48 48 VAL HG23 H 1 1.044 0.05 . 2 . . . . . . . . 6209 1 536 . 1 1 49 49 ASP C C 13 177.926 0.05 . 1 . . . . . . . . 6209 1 537 . 1 1 49 49 ASP CA C 13 53.245 0.05 . 1 . . . . . . . . 6209 1 538 . 1 1 49 49 ASP CB C 13 39.622 0.05 . 1 . . . . . . . . 6209 1 539 . 1 1 49 49 ASP HA H 1 4.656 0.05 . 1 . . . . . . . . 6209 1 540 . 1 1 49 49 ASP HB2 H 1 3.123 0.05 . 2 . . . . . . . . 6209 1 541 . 1 1 49 49 ASP HB3 H 1 2.685 0.05 . 2 . . . . . . . . 6209 1 542 . 1 1 49 49 ASP H H 1 8.005 0.05 . 1 . . . . . . . . 6209 1 543 . 1 1 49 49 ASP N N 15 117.223 0.10 . 1 . . . . . . . . 6209 1 544 . 1 1 50 50 GLY C C 13 175.086 0.10 . 1 . . . . . . . . 6209 1 545 . 1 1 50 50 GLY CA C 13 47.259 0.10 . 1 . . . . . . . . 6209 1 546 . 1 1 50 50 GLY HA2 H 1 3.899 0.05 . 2 . . . . . . . . 6209 1 547 . 1 1 50 50 GLY H H 1 7.858 0.05 . 1 . . . . . . . . 6209 1 548 . 1 1 50 50 GLY N N 15 110.188 0.10 . 1 . . . . . . . . 6209 1 549 . 1 1 51 51 ASN C C 13 176.980 0.10 . 1 . . . . . . . . 6209 1 550 . 1 1 51 51 ASN CA C 13 52.503 0.10 . 1 . . . . . . . . 6209 1 551 . 1 1 51 51 ASN CB C 13 38.124 0.10 . 1 . . . . . . . . 6209 1 552 . 1 1 51 51 ASN HA H 1 4.716 0.05 . 1 . . . . . . . . 6209 1 553 . 1 1 51 51 ASN HB2 H 1 3.368 0.05 . 2 . . . . . . . . 6209 1 554 . 1 1 51 51 ASN HB3 H 1 2.628 0.05 . 2 . . . . . . . . 6209 1 555 . 1 1 51 51 ASN HD21 H 1 6.894 0.05 . 2 . . . . . . . . 6209 1 556 . 1 1 51 51 ASN HD22 H 1 7.904 0.05 . 2 . . . . . . . . 6209 1 557 . 1 1 51 51 ASN H H 1 8.128 0.05 . 1 . . . . . . . . 6209 1 558 . 1 1 51 51 ASN N N 15 119.915 0.10 . 1 . . . . . . . . 6209 1 559 . 1 1 51 51 ASN ND2 N 15 116.020 0.10 . 1 . . . . . . . . 6209 1 560 . 1 1 52 52 GLY C C 13 172.855 0.10 . 1 . . . . . . . . 6209 1 561 . 1 1 52 52 GLY CA C 13 46.056 0.10 . 1 . . . . . . . . 6209 1 562 . 1 1 52 52 GLY HA2 H 1 3.741 0.05 . 2 . . . . . . . . 6209 1 563 . 1 1 52 52 GLY HA3 H 1 4.282 0.05 . 2 . . . . . . . . 6209 1 564 . 1 1 52 52 GLY H H 1 10.961 0.05 . 1 . . . . . . . . 6209 1 565 . 1 1 52 52 GLY N N 15 115.144 0.10 . 1 . . . . . . . . 6209 1 566 . 1 1 53 53 GLU C C 13 174.357 0.10 . 1 . . . . . . . . 6209 1 567 . 1 1 53 53 GLU CA C 13 53.836 0.10 . 1 . . . . . . . . 6209 1 568 . 1 1 53 53 GLU CB C 13 33.310 0.10 . 1 . . . . . . . . 6209 1 569 . 1 1 53 53 GLU CG C 13 34.998 0.10 . 1 . . . . . . . . 6209 1 570 . 1 1 53 53 GLU HA H 1 5.064 0.05 . 1 . . . . . . . . 6209 1 571 . 1 1 53 53 GLU HB2 H 1 1.975 0.05 . 2 . . . . . . . . 6209 1 572 . 1 1 53 53 GLU HB3 H 1 1.773 0.05 . 2 . . . . . . . . 6209 1 573 . 1 1 53 53 GLU HG2 H 1 2.179 0.05 . 2 . . . . . . . . 6209 1 574 . 1 1 53 53 GLU HG3 H 1 2.022 0.05 . 2 . . . . . . . . 6209 1 575 . 1 1 53 53 GLU H H 1 7.686 0.05 . 1 . . . . . . . . 6209 1 576 . 1 1 53 53 GLU N N 15 116.758 0.10 . 1 . . . . . . . . 6209 1 577 . 1 1 54 54 LEU C C 13 177.451 0.10 . 1 . . . . . . . . 6209 1 578 . 1 1 54 54 LEU CA C 13 52.732 0.10 . 1 . . . . . . . . 6209 1 579 . 1 1 54 54 LEU CB C 13 42.116 0.10 . 1 . . . . . . . . 6209 1 580 . 1 1 54 54 LEU CD1 C 13 21.436 0.10 . 1 . . . . . . . . 6209 1 581 . 1 1 54 54 LEU CD2 C 13 26.517 0.10 . 1 . . . . . . . . 6209 1 582 . 1 1 54 54 LEU CG C 13 26.270 0.10 . 1 . . . . . . . . 6209 1 583 . 1 1 54 54 LEU HA H 1 5.622 0.05 . 1 . . . . . . . . 6209 1 584 . 1 1 54 54 LEU HB2 H 1 2.158 0.05 . 2 . . . . . . . . 6209 1 585 . 1 1 54 54 LEU HB3 H 1 1.425 0.05 . 2 . . . . . . . . 6209 1 586 . 1 1 54 54 LEU HG H 1 1.547 0.05 . 1 . . . . . . . . 6209 1 587 . 1 1 54 54 LEU H H 1 9.642 0.05 . 1 . . . . . . . . 6209 1 588 . 1 1 54 54 LEU N N 15 125.227 0.10 . 1 . . . . . . . . 6209 1 589 . 1 1 54 54 LEU HD11 H 1 -0.036 0.05 . 2 . . . . . . . . 6209 1 590 . 1 1 54 54 LEU HD12 H 1 -0.036 0.05 . 2 . . . . . . . . 6209 1 591 . 1 1 54 54 LEU HD13 H 1 -0.036 0.05 . 2 . . . . . . . . 6209 1 592 . 1 1 54 54 LEU HD21 H 1 0.574 0.05 . 2 . . . . . . . . 6209 1 593 . 1 1 54 54 LEU HD22 H 1 0.574 0.05 . 2 . . . . . . . . 6209 1 594 . 1 1 54 54 LEU HD23 H 1 0.574 0.05 . 2 . . . . . . . . 6209 1 595 . 1 1 55 55 ASN C C 13 175.125 0.10 . 1 . . . . . . . . 6209 1 596 . 1 1 55 55 ASN CA C 13 51.000 0.10 . 1 . . . . . . . . 6209 1 597 . 1 1 55 55 ASN CB C 13 38.928 0.10 . 1 . . . . . . . . 6209 1 598 . 1 1 55 55 ASN HA H 1 5.226 0.05 . 1 . . . . . . . . 6209 1 599 . 1 1 55 55 ASN HB2 H 1 3.515 0.05 . 2 . . . . . . . . 6209 1 600 . 1 1 55 55 ASN HB3 H 1 2.962 0.05 . 2 . . . . . . . . 6209 1 601 . 1 1 55 55 ASN HD21 H 1 7.122 0.05 . 2 . . . . . . . . 6209 1 602 . 1 1 55 55 ASN HD22 H 1 7.440 0.05 . 2 . . . . . . . . 6209 1 603 . 1 1 55 55 ASN H H 1 8.632 0.05 . 1 . . . . . . . . 6209 1 604 . 1 1 55 55 ASN N N 15 123.279 0.10 . 1 . . . . . . . . 6209 1 605 . 1 1 55 55 ASN ND2 N 15 112.614 0.10 . 1 . . . . . . . . 6209 1 606 . 1 1 56 56 ALA C C 13 180.149 0.10 . 1 . . . . . . . . 6209 1 607 . 1 1 56 56 ALA CA C 13 56.021 0.10 . 1 . . . . . . . . 6209 1 608 . 1 1 56 56 ALA CB C 13 17.672 0.10 . 1 . . . . . . . . 6209 1 609 . 1 1 56 56 ALA HA H 1 3.240 0.05 . 1 . . . . . . . . 6209 1 610 . 1 1 56 56 ALA H H 1 8.657 0.05 . 1 . . . . . . . . 6209 1 611 . 1 1 56 56 ALA N N 15 122.129 0.10 . 1 . . . . . . . . 6209 1 612 . 1 1 56 56 ALA HB1 H 1 0.936 0.05 . 1 . . . . . . . . 6209 1 613 . 1 1 56 56 ALA HB2 H 1 0.936 0.05 . 1 . . . . . . . . 6209 1 614 . 1 1 56 56 ALA HB3 H 1 0.936 0.05 . 1 . . . . . . . . 6209 1 615 . 1 1 57 57 ASP C C 13 179.089 0.10 . 1 . . . . . . . . 6209 1 616 . 1 1 57 57 ASP CA C 13 57.622 0.10 . 1 . . . . . . . . 6209 1 617 . 1 1 57 57 ASP CB C 13 40.387 0.10 . 1 . . . . . . . . 6209 1 618 . 1 1 57 57 ASP HA H 1 4.383 0.05 . 1 . . . . . . . . 6209 1 619 . 1 1 57 57 ASP HB2 H 1 2.740 0.05 . 2 . . . . . . . . 6209 1 620 . 1 1 57 57 ASP H H 1 8.113 0.05 . 1 . . . . . . . . 6209 1 621 . 1 1 57 57 ASP N N 15 121.289 0.10 . 1 . . . . . . . . 6209 1 622 . 1 1 58 58 GLU C C 13 179.679 0.10 . 1 . . . . . . . . 6209 1 623 . 1 1 58 58 GLU CA C 13 58.930 0.10 . 1 . . . . . . . . 6209 1 624 . 1 1 58 58 GLU CB C 13 29.886 0.10 . 1 . . . . . . . . 6209 1 625 . 1 1 58 58 GLU CG C 13 37.069 0.10 . 1 . . . . . . . . 6209 1 626 . 1 1 58 58 GLU HA H 1 4.115 0.05 . 1 . . . . . . . . 6209 1 627 . 1 1 58 58 GLU HB2 H 1 2.351 0.05 . 2 . . . . . . . . 6209 1 628 . 1 1 58 58 GLU HB3 H 1 2.425 0.05 . 2 . . . . . . . . 6209 1 629 . 1 1 58 58 GLU HG2 H 1 2.865 0.05 . 2 . . . . . . . . 6209 1 630 . 1 1 58 58 GLU HG3 H 1 2.361 0.05 . 2 . . . . . . . . 6209 1 631 . 1 1 58 58 GLU H H 1 8.711 0.05 . 1 . . . . . . . . 6209 1 632 . 1 1 58 58 GLU N N 15 122.726 0.10 . 1 . . . . . . . . 6209 1 633 . 1 1 59 59 PHE C C 13 176.869 0.10 . 1 . . . . . . . . 6209 1 634 . 1 1 59 59 PHE CA C 13 61.948 0.10 . 1 . . . . . . . . 6209 1 635 . 1 1 59 59 PHE CB C 13 40.987 0.10 . 1 . . . . . . . . 6209 1 636 . 1 1 59 59 PHE HA H 1 4.196 0.05 . 1 . . . . . . . . 6209 1 637 . 1 1 59 59 PHE HB2 H 1 3.249 0.05 . 2 . . . . . . . . 6209 1 638 . 1 1 59 59 PHE HB3 H 1 3.258 0.05 . 2 . . . . . . . . 6209 1 639 . 1 1 59 59 PHE H H 1 8.496 0.05 . 1 . . . . . . . . 6209 1 640 . 1 1 59 59 PHE N N 15 118.797 0.10 . 1 . . . . . . . . 6209 1 641 . 1 1 59 59 PHE HE1 H 1 7.178 0.05 . 4 . . . . . . . . 6209 1 642 . 1 1 60 60 THR C C 13 176.173 0.10 . 1 . . . . . . . . 6209 1 643 . 1 1 60 60 THR CA C 13 66.898 0.10 . 1 . . . . . . . . 6209 1 644 . 1 1 60 60 THR CB C 13 68.630 0.10 . 1 . . . . . . . . 6209 1 645 . 1 1 60 60 THR CG2 C 13 21.740 0.10 . 1 . . . . . . . . 6209 1 646 . 1 1 60 60 THR HA H 1 3.749 0.05 . 1 . . . . . . . . 6209 1 647 . 1 1 60 60 THR HB H 1 4.388 0.05 . 1 . . . . . . . . 6209 1 648 . 1 1 60 60 THR H H 1 8.826 0.05 . 1 . . . . . . . . 6209 1 649 . 1 1 60 60 THR N N 15 115.281 0.10 . 1 . . . . . . . . 6209 1 650 . 1 1 60 60 THR HG21 H 1 1.351 0.05 . 1 . . . . . . . . 6209 1 651 . 1 1 60 60 THR HG22 H 1 1.351 0.05 . 1 . . . . . . . . 6209 1 652 . 1 1 60 60 THR HG23 H 1 1.351 0.05 . 1 . . . . . . . . 6209 1 653 . 1 1 61 61 SER C C 13 175.790 0.10 . 1 . . . . . . . . 6209 1 654 . 1 1 61 61 SER CA C 13 61.384 0.10 . 1 . . . . . . . . 6209 1 655 . 1 1 61 61 SER CB C 13 63.083 0.10 . 1 . . . . . . . . 6209 1 656 . 1 1 61 61 SER HA H 1 4.301 0.05 . 1 . . . . . . . . 6209 1 657 . 1 1 61 61 SER HB2 H 1 4.019 0.05 . 2 . . . . . . . . 6209 1 658 . 1 1 61 61 SER H H 1 7.839 0.05 . 1 . . . . . . . . 6209 1 659 . 1 1 61 61 SER N N 15 116.463 0.10 . 1 . . . . . . . . 6209 1 660 . 1 1 62 62 CYS C C 13 176.042 0.10 . 1 . . . . . . . . 6209 1 661 . 1 1 62 62 CYS CA C 13 61.035 0.10 . 1 . . . . . . . . 6209 1 662 . 1 1 62 62 CYS CB C 13 27.810 0.10 . 1 . . . . . . . . 6209 1 663 . 1 1 62 62 CYS HA H 1 4.379 0.05 . 1 . . . . . . . . 6209 1 664 . 1 1 62 62 CYS HB2 H 1 2.880 0.05 . 2 . . . . . . . . 6209 1 665 . 1 1 62 62 CYS HB3 H 1 2.839 0.05 . 2 . . . . . . . . 6209 1 666 . 1 1 62 62 CYS H H 1 7.294 0.05 . 1 . . . . . . . . 6209 1 667 . 1 1 62 62 CYS N N 15 119.214 0.10 . 1 . . . . . . . . 6209 1 668 . 1 1 63 63 ILE C C 13 177.807 0.10 . 1 . . . . . . . . 6209 1 669 . 1 1 63 63 ILE CA C 13 62.391 0.10 . 1 . . . . . . . . 6209 1 670 . 1 1 63 63 ILE CB C 13 37.244 0.10 . 1 . . . . . . . . 6209 1 671 . 1 1 63 63 ILE CD1 C 13 12.297 0.10 . 1 . . . . . . . . 6209 1 672 . 1 1 63 63 ILE CG1 C 13 28.220 0.10 . 1 . . . . . . . . 6209 1 673 . 1 1 63 63 ILE CG2 C 13 18.376 0.10 . 1 . . . . . . . . 6209 1 674 . 1 1 63 63 ILE HA H 1 3.837 0.05 . 1 . . . . . . . . 6209 1 675 . 1 1 63 63 ILE HB H 1 1.643 0.05 . 1 . . . . . . . . 6209 1 676 . 1 1 63 63 ILE HG12 H 1 1.068 0.05 . 2 . . . . . . . . 6209 1 677 . 1 1 63 63 ILE H H 1 7.671 0.05 . 1 . . . . . . . . 6209 1 678 . 1 1 63 63 ILE N N 15 119.675 0.10 . 1 . . . . . . . . 6209 1 679 . 1 1 63 63 ILE HD11 H 1 0.657 0.05 . 1 . . . . . . . . 6209 1 680 . 1 1 63 63 ILE HD12 H 1 0.657 0.05 . 1 . . . . . . . . 6209 1 681 . 1 1 63 63 ILE HD13 H 1 0.657 0.05 . 1 . . . . . . . . 6209 1 682 . 1 1 63 63 ILE HG21 H 1 0.832 0.05 . 1 . . . . . . . . 6209 1 683 . 1 1 63 63 ILE HG22 H 1 0.832 0.05 . 1 . . . . . . . . 6209 1 684 . 1 1 63 63 ILE HG23 H 1 0.832 0.05 . 1 . . . . . . . . 6209 1 685 . 1 1 64 64 GLU C C 13 178.134 0.10 . 1 . . . . . . . . 6209 1 686 . 1 1 64 64 GLU CA C 13 59.133 0.10 . 1 . . . . . . . . 6209 1 687 . 1 1 64 64 GLU CB C 13 29.380 0.20 . 1 . . . . . . . . 6209 1 688 . 1 1 64 64 GLU CG C 13 36.765 0.10 . 1 . . . . . . . . 6209 1 689 . 1 1 64 64 GLU HA H 1 4.096 0.05 . 1 . . . . . . . . 6209 1 690 . 1 1 64 64 GLU HB2 H 1 2.147 0.05 . 2 . . . . . . . . 6209 1 691 . 1 1 64 64 GLU HG2 H 1 2.390 0.05 . 2 . . . . . . . . 6209 1 692 . 1 1 64 64 GLU H H 1 8.206 0.05 . 1 . . . . . . . . 6209 1 693 . 1 1 64 64 GLU N N 15 120.206 0.10 . 1 . . . . . . . . 6209 1 694 . 1 1 65 65 LYS C C 13 177.219 0.10 . 1 . . . . . . . . 6209 1 695 . 1 1 65 65 LYS CA C 13 57.467 0.10 . 1 . . . . . . . . 6209 1 696 . 1 1 65 65 LYS CB C 13 32.864 0.20 . 1 . . . . . . . . 6209 1 697 . 1 1 65 65 LYS CD C 13 29.359 0.10 . 1 . . . . . . . . 6209 1 698 . 1 1 65 65 LYS CE C 13 42.231 0.10 . 1 . . . . . . . . 6209 1 699 . 1 1 65 65 LYS CG C 13 25.314 0.10 . 1 . . . . . . . . 6209 1 700 . 1 1 65 65 LYS HA H 1 4.360 0.05 . 1 . . . . . . . . 6209 1 701 . 1 1 65 65 LYS HB2 H 1 1.992 0.05 . 2 . . . . . . . . 6209 1 702 . 1 1 65 65 LYS HD2 H 1 1.739 0.05 . 2 . . . . . . . . 6209 1 703 . 1 1 65 65 LYS HE2 H 1 3.067 0.05 . 2 . . . . . . . . 6209 1 704 . 1 1 65 65 LYS HG2 H 1 1.570 0.05 . 2 . . . . . . . . 6209 1 705 . 1 1 65 65 LYS H H 1 7.577 0.05 . 1 . . . . . . . . 6209 1 706 . 1 1 65 65 LYS N N 15 117.359 0.10 . 1 . . . . . . . . 6209 1 707 . 1 1 66 66 MET C C 13 175.099 0.10 . 1 . . . . . . . . 6209 1 708 . 1 1 66 66 MET CA C 13 56.222 0.10 . 1 . . . . . . . . 6209 1 709 . 1 1 66 66 MET CB C 13 34.043 0.10 . 1 . . . . . . . . 6209 1 710 . 1 1 66 66 MET CG C 13 32.352 0.20 . 1 . . . . . . . . 6209 1 711 . 1 1 66 66 MET HA H 1 4.444 0.05 . 1 . . . . . . . . 6209 1 712 . 1 1 66 66 MET HB2 H 1 2.098 0.05 . 2 . . . . . . . . 6209 1 713 . 1 1 66 66 MET HB3 H 1 2.022 0.05 . 2 . . . . . . . . 6209 1 714 . 1 1 66 66 MET HG2 H 1 2.505 0.05 . 2 . . . . . . . . 6209 1 715 . 1 1 66 66 MET HG3 H 1 2.413 0.05 . 2 . . . . . . . . 6209 1 716 . 1 1 66 66 MET H H 1 7.869 0.05 . 1 . . . . . . . . 6209 1 717 . 1 1 66 66 MET N N 15 119.284 0.10 . 1 . . . . . . . . 6209 1 718 . 1 1 67 67 LEU CA C 13 56.427 0.10 . 1 . . . . . . . . 6209 1 719 . 1 1 67 67 LEU CB C 13 43.465 0.10 . 1 . . . . . . . . 6209 1 720 . 1 1 67 67 LEU HA H 1 4.293 0.05 . 1 . . . . . . . . 6209 1 721 . 1 1 67 67 LEU HB2 H 1 1.722 0.05 . 2 . . . . . . . . 6209 1 722 . 1 1 67 67 LEU HB3 H 1 1.674 0.05 . 2 . . . . . . . . 6209 1 723 . 1 1 67 67 LEU HG H 1 0.880 0.05 . 1 . . . . . . . . 6209 1 724 . 1 1 67 67 LEU H H 1 7.276 0.05 . 1 . . . . . . . . 6209 1 725 . 1 1 67 67 LEU N N 15 126.258 0.20 . 1 . . . . . . . . 6209 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 61 6209 1 1 60 6209 1 2 244 6209 1 2 243 6209 1 3 354 6209 1 3 353 6209 1 4 364 6209 1 4 363 6209 1 5 472 6209 1 5 471 6209 1 . 641 6209 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_residual_dipolar_couplings _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings _RDC_list.Entry_ID 6209 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $Conditions_1 _RDC_list.Spectrometer_frequency_1H . _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID . . 1 $sample_1 . 6209 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHN . 1 1 3 3 ALA H . . . . 1 1 3 3 ALA N . . . 4.47 . . . . . . . . . . . . . . 6209 1 2 1DHN . 1 1 4 4 LYS H . . . . 1 1 4 4 LYS N . . . 14.86 . . . . . . . . . . . . . . 6209 1 3 1DHN . 1 1 5 5 ARG H . . . . 1 1 5 5 ARG N . . . 10.19 . . . . . . . . . . . . . . 6209 1 4 1DHN . 1 1 6 6 VAL H . . . . 1 1 6 6 VAL N . . . 9.47 . . . . . . . . . . . . . . 6209 1 5 1DHN . 1 1 7 7 PHE H . . . . 1 1 7 7 PHE N . . . 11.36 . . . . . . . . . . . . . . 6209 1 6 1DHN . 1 1 8 8 GLU H . . . . 1 1 8 8 GLU N . . . 12.76 . . . . . . . . . . . . . . 6209 1 7 1DHN . 1 1 9 9 LYS H . . . . 1 1 9 9 LYS N . . . 12.14 . . . . . . . . . . . . . . 6209 1 8 1DHN . 1 1 10 10 PHE H . . . . 1 1 10 10 PHE N . . . 7.29 . . . . . . . . . . . . . . 6209 1 9 1DHN . 1 1 11 11 ASP H . . . . 1 1 11 11 ASP N . . . 17.93 . . . . . . . . . . . . . . 6209 1 10 1DHN . 1 1 12 12 LYS H . . . . 1 1 12 12 LYS N . . . 9.37 . . . . . . . . . . . . . . 6209 1 11 1DHN . 1 1 13 13 ASN H . . . . 1 1 13 13 ASN N . . . 15.48 . . . . . . . . . . . . . . 6209 1 12 1DHN . 1 1 14 14 LYS H . . . . 1 1 14 14 LYS N . . . -26 . . . . . . . . . . . . . . 6209 1 13 1DHN . 1 1 15 15 ASP H . . . . 1 1 15 15 ASP N . . . -18.3 . . . . . . . . . . . . . . 6209 1 14 1DHN . 1 1 16 16 GLY H . . . . 1 1 16 16 GLY N . . . -23.66 . . . . . . . . . . . . . . 6209 1 15 1DHN . 1 1 17 17 LYS H . . . . 1 1 17 17 LYS N . . . 4.26 . . . . . . . . . . . . . . 6209 1 16 1DHN . 1 1 18 18 LEU H . . . . 1 1 18 18 LEU N . . . 3.46 . . . . . . . . . . . . . . 6209 1 17 1DHN . 1 1 20 20 LEU H . . . . 1 1 20 20 LEU N . . . -6.82 . . . . . . . . . . . . . . 6209 1 18 1DHN . 1 1 21 21 ASP H . . . . 1 1 21 21 ASP N . . . -18.59 . . . . . . . . . . . . . . 6209 1 19 1DHN . 1 1 22 22 GLU H . . . . 1 1 22 22 GLU N . . . -21.11 . . . . . . . . . . . . . . 6209 1 20 1DHN . 1 1 23 23 PHE H . . . . 1 1 23 23 PHE N . . . -8.15 . . . . . . . . . . . . . . 6209 1 21 1DHN . 1 1 24 24 ARG H . . . . 1 1 24 24 ARG N . . . -4.63 . . . . . . . . . . . . . . 6209 1 22 1DHN . 1 1 25 25 GLU H . . . . 1 1 25 25 GLU N . . . -29.38 . . . . . . . . . . . . . . 6209 1 23 1DHN . 1 1 26 26 VAL H . . . . 1 1 26 26 VAL N . . . -12.97 . . . . . . . . . . . . . . 6209 1 24 1DHN . 1 1 28 28 LEU H . . . . 1 1 28 28 LEU N . . . -12.66 . . . . . . . . . . . . . . 6209 1 25 1DHN . 1 1 29 29 ALA H . . . . 1 1 29 29 ALA N . . . -33.44 . . . . . . . . . . . . . . 6209 1 26 1DHN . 1 1 31 31 SER H . . . . 1 1 31 31 SER N . . . -10.95 . . . . . . . . . . . . . . 6209 1 27 1DHN . 1 1 33 33 TYR H . . . . 1 1 33 33 TYR N . . . 17.51 . . . . . . . . . . . . . . 6209 1 28 1DHN . 1 1 35 35 THR H . . . . 1 1 35 35 THR N . . . 10.27 . . . . . . . . . . . . . . 6209 1 29 1DHN . 1 1 36 36 GLN H . . . . 1 1 36 36 GLN N . . . -10.6 . . . . . . . . . . . . . . 6209 1 30 1DHN . 1 1 37 37 GLU H . . . . 1 1 37 37 GLU N . . . -25.98 . . . . . . . . . . . . . . 6209 1 31 1DHN . 1 1 39 39 ILE H . . . . 1 1 39 39 ILE N . . . -8.64 . . . . . . . . . . . . . . 6209 1 32 1DHN . 1 1 40 40 VAL H . . . . 1 1 40 40 VAL N . . . -14.82 . . . . . . . . . . . . . . 6209 1 33 1DHN . 1 1 41 41 LYS H . . . . 1 1 41 41 LYS N . . . -27.9 . . . . . . . . . . . . . . 6209 1 34 1DHN . 1 1 42 42 PHE H . . . . 1 1 42 42 PHE N . . . -23.8 . . . . . . . . . . . . . . 6209 1 35 1DHN . 1 1 43 43 PHE H . . . . 1 1 43 43 PHE N . . . -14 . . . . . . . . . . . . . . 6209 1 36 1DHN . 1 1 44 44 GLU H . . . . 1 1 44 44 GLU N . . . -21.12 . . . . . . . . . . . . . . 6209 1 37 1DHN . 1 1 46 46 ILE H . . . . 1 1 46 46 ILE N . . . -10.43 . . . . . . . . . . . . . . 6209 1 38 1DHN . 1 1 47 47 ASP H . . . . 1 1 47 47 ASP N . . . -9.36 . . . . . . . . . . . . . . 6209 1 39 1DHN . 1 1 48 48 VAL H . . . . 1 1 48 48 VAL N . . . 20.44 . . . . . . . . . . . . . . 6209 1 40 1DHN . 1 1 50 50 GLY H . . . . 1 1 50 50 GLY N . . . -7.02 . . . . . . . . . . . . . . 6209 1 41 1DHN . 1 1 51 51 ASN H . . . . 1 1 51 51 ASN N . . . 17.7 . . . . . . . . . . . . . . 6209 1 42 1DHN . 1 1 52 52 GLY H . . . . 1 1 52 52 GLY N . . . 5.32 . . . . . . . . . . . . . . 6209 1 43 1DHN . 1 1 53 53 GLU H . . . . 1 1 53 53 GLU N . . . -10.95 . . . . . . . . . . . . . . 6209 1 44 1DHN . 1 1 54 54 LEU H . . . . 1 1 54 54 LEU N . . . -5.93 . . . . . . . . . . . . . . 6209 1 45 1DHN . 1 1 55 55 ASN H . . . . 1 1 55 55 ASN N . . . 11.96 . . . . . . . . . . . . . . 6209 1 46 1DHN . 1 1 56 56 ALA H . . . . 1 1 56 56 ALA N . . . -13.89 . . . . . . . . . . . . . . 6209 1 47 1DHN . 1 1 57 57 ASP H . . . . 1 1 57 57 ASP N . . . -14.82 . . . . . . . . . . . . . . 6209 1 48 1DHN . 1 1 58 58 GLU H . . . . 1 1 58 58 GLU N . . . -4.66 . . . . . . . . . . . . . . 6209 1 49 1DHN . 1 1 59 59 PHE H . . . . 1 1 59 59 PHE N . . . -13.98 . . . . . . . . . . . . . . 6209 1 50 1DHN . 1 1 60 60 THR H . . . . 1 1 60 60 THR N . . . -25.14 . . . . . . . . . . . . . . 6209 1 51 1DHN . 1 1 62 62 CYS H . . . . 1 1 62 62 CYS N . . . -1.05 . . . . . . . . . . . . . . 6209 1 52 1DHN . 1 1 64 64 GLU H . . . . 1 1 64 64 GLU N . . . -22.7 . . . . . . . . . . . . . . 6209 1 53 1DHN . 1 1 65 65 LYS H . . . . 1 1 65 65 LYS N . . . 0.8 . . . . . . . . . . . . . . 6209 1 54 1DHN . 1 1 66 66 MET H . . . . 1 1 66 66 MET N . . . -11.47 . . . . . . . . . . . . . . 6209 1 55 1DHN . 1 1 67 67 LEU H . . . . 1 1 67 67 LEU N . . . -21.21 . . . . . . . . . . . . . . 6209 1 stop_ save_