data_52365 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52365 _Entry.Title ; Chemical shifts, T1, T1rho, heteronuclear NOEs, RDCs of ubiquitin folding intermediate F' ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-03-26 _Entry.Accession_date 2024-03-26 _Entry.Last_release_date 2024-03-26 _Entry.Original_release_date 2024-03-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 'Sri Teja' Adhada . . . 0000-0002-0576-0637 52365 2 Siddhartha Sarma . P. . 0000-0001-7619-8904 52365 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 1 52365 assigned_chemical_shifts 1 52365 heteronucl_NOEs 2 52365 heteronucl_T1_relaxation 2 52365 heteronucl_T1rho_relaxation 2 52365 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 328 52365 '15N chemical shifts' 82 52365 '1H chemical shifts' 539 52365 'T1 relaxation values' 148 52365 'T1rho relaxation values' 148 52365 'heteronuclear NOE values' 145 52365 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 . . 2024-03-29 . original BMRB . 52365 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52365 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Slow conformational exchange between partially folded and near native states of Ubiquitin suggest a multi-state folding model ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Sri Teja' Adhada . . . . 52365 1 2 Siddhartha Sarma . P. . . 52365 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52365 _Assembly.ID 1 _Assembly.Name 'Ubiquitin from Rice' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ubiquitin from Rice' 1 $entity_1 . . yes native yes no . . . 52365 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52365 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_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 ; MMQIFVKTLTGKTITLEVES SDTIDNVKAKIQDKEGIPPD QQRLIFAGKQLEDGRTLADY NIQKESTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . _Entity.DB_query_revised_last_date . 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 yes UNP P0CH34 . . . . . . . . . . . . . . . . 52365 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52365 1 2 . MET . 52365 1 3 . GLN . 52365 1 4 . ILE . 52365 1 5 . PHE . 52365 1 6 . VAL . 52365 1 7 . LYS . 52365 1 8 . THR . 52365 1 9 . LEU . 52365 1 10 . THR . 52365 1 11 . GLY . 52365 1 12 . LYS . 52365 1 13 . THR . 52365 1 14 . ILE . 52365 1 15 . THR . 52365 1 16 . LEU . 52365 1 17 . GLU . 52365 1 18 . VAL . 52365 1 19 . GLU . 52365 1 20 . SER . 52365 1 21 . SER . 52365 1 22 . ASP . 52365 1 23 . THR . 52365 1 24 . ILE . 52365 1 25 . ASP . 52365 1 26 . ASN . 52365 1 27 . VAL . 52365 1 28 . LYS . 52365 1 29 . ALA . 52365 1 30 . LYS . 52365 1 31 . ILE . 52365 1 32 . GLN . 52365 1 33 . ASP . 52365 1 34 . LYS . 52365 1 35 . GLU . 52365 1 36 . GLY . 52365 1 37 . ILE . 52365 1 38 . PRO . 52365 1 39 . PRO . 52365 1 40 . ASP . 52365 1 41 . GLN . 52365 1 42 . GLN . 52365 1 43 . ARG . 52365 1 44 . LEU . 52365 1 45 . ILE . 52365 1 46 . PHE . 52365 1 47 . ALA . 52365 1 48 . GLY . 52365 1 49 . LYS . 52365 1 50 . GLN . 52365 1 51 . LEU . 52365 1 52 . GLU . 52365 1 53 . ASP . 52365 1 54 . GLY . 52365 1 55 . ARG . 52365 1 56 . THR . 52365 1 57 . LEU . 52365 1 58 . ALA . 52365 1 59 . ASP . 52365 1 60 . TYR . 52365 1 61 . ASN . 52365 1 62 . ILE . 52365 1 63 . GLN . 52365 1 64 . LYS . 52365 1 65 . GLU . 52365 1 66 . SER . 52365 1 67 . THR . 52365 1 68 . LEU . 52365 1 69 . HIS . 52365 1 70 . LEU . 52365 1 71 . VAL . 52365 1 72 . LEU . 52365 1 73 . ARG . 52365 1 74 . LEU . 52365 1 75 . ARG . 52365 1 76 . GLY . 52365 1 77 . GLY . 52365 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52365 1 . MET 2 2 52365 1 . GLN 3 3 52365 1 . ILE 4 4 52365 1 . PHE 5 5 52365 1 . VAL 6 6 52365 1 . LYS 7 7 52365 1 . THR 8 8 52365 1 . LEU 9 9 52365 1 . THR 10 10 52365 1 . GLY 11 11 52365 1 . LYS 12 12 52365 1 . THR 13 13 52365 1 . ILE 14 14 52365 1 . THR 15 15 52365 1 . LEU 16 16 52365 1 . GLU 17 17 52365 1 . VAL 18 18 52365 1 . GLU 19 19 52365 1 . SER 20 20 52365 1 . SER 21 21 52365 1 . ASP 22 22 52365 1 . THR 23 23 52365 1 . ILE 24 24 52365 1 . ASP 25 25 52365 1 . ASN 26 26 52365 1 . VAL 27 27 52365 1 . LYS 28 28 52365 1 . ALA 29 29 52365 1 . LYS 30 30 52365 1 . ILE 31 31 52365 1 . GLN 32 32 52365 1 . ASP 33 33 52365 1 . LYS 34 34 52365 1 . GLU 35 35 52365 1 . GLY 36 36 52365 1 . ILE 37 37 52365 1 . PRO 38 38 52365 1 . PRO 39 39 52365 1 . ASP 40 40 52365 1 . GLN 41 41 52365 1 . GLN 42 42 52365 1 . ARG 43 43 52365 1 . LEU 44 44 52365 1 . ILE 45 45 52365 1 . PHE 46 46 52365 1 . ALA 47 47 52365 1 . GLY 48 48 52365 1 . LYS 49 49 52365 1 . GLN 50 50 52365 1 . LEU 51 51 52365 1 . GLU 52 52 52365 1 . ASP 53 53 52365 1 . GLY 54 54 52365 1 . ARG 55 55 52365 1 . THR 56 56 52365 1 . LEU 57 57 52365 1 . ALA 58 58 52365 1 . ASP 59 59 52365 1 . TYR 60 60 52365 1 . ASN 61 61 52365 1 . ILE 62 62 52365 1 . GLN 63 63 52365 1 . LYS 64 64 52365 1 . GLU 65 65 52365 1 . SER 66 66 52365 1 . THR 67 67 52365 1 . LEU 68 68 52365 1 . HIS 69 69 52365 1 . LEU 70 70 52365 1 . VAL 71 71 52365 1 . LEU 72 72 52365 1 . ARG 73 73 52365 1 . LEU 74 74 52365 1 . ARG 75 75 52365 1 . GLY 76 76 52365 1 . GLY 77 77 52365 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52365 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 39947 organism . 'Oryza sativa Japonica Group' 'Japanese rice' . . Eukaryota Viridiplantae Oryza sativa . . . . . . . . . . . . . 52365 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52365 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET21a(+) . . . 52365 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52365 _Sample.ID 1 _Sample.Name osubq_A _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ubiquitin from Rice (Oryza sativa)' 'natural abundance' . . 1 $entity_1 . . 1 . . mM 0.1 . . . 52365 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52365 _Sample.ID 2 _Sample.Name osubq_A_15N _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ubiquitin from Rice (Oryza sativa)' [U-15N] . . 1 $entity_1 . . 1 . . mM 0.1 . . . 52365 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52365 _Sample.ID 3 _Sample.Name osubq_A_13C_15N _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ubiquitin from Rice (Oryza sativa)' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM 0.1 . . . 52365 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52365 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'partial denaturing conditions' _Sample_condition_list.Details '2M Urea at pH2' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 52365 1 pH 2 . pH 52365 1 pressure 1 . atm 52365 1 temperature 298 . K 52365 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52365 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52365 1 'peak picking' . 52365 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52365 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52365 2 processing . 52365 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52365 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.98.15 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 52365 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52365 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 3.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 52365 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 52365 _Software.ID 5 _Software.Type . _Software.Name VNMRj _Software.Version 4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52365 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 52365 _Software.ID 6 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52365 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 52365 _Software.ID 7 _Software.Type . _Software.Name PINT _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52365 7 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 52365 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52365 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Agilent _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DirectDrive _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52365 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52365 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 3 'T1/R1 relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 4 'T1rho/R1rho relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 5 '1H-15N heteronoe' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 6 '3D CBCA(CO)NH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52365 1 7 '3D HNCO' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52365 1 8 '3D HNCACB' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52365 1 9 '3D HN(CA)CO' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52365 1 10 '3D H(CCO)NH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 11 '3D C(CO)NH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52365 1 12 '3D 15N-separated NOESY' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 13 '3D 13C-separated NOESY' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 14 '2D 1H-15N IPAP HSQC' no no no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 15 '2D 1H-15N IPAP HSQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 16 '1D 1H DOSY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 17 '3D 1H-15N TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 18 'T1/R1 relaxation' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52365 1 19 'T1rho/R1rho relaxation' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52365 1 20 '1H-15N heteronoe' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52365 1 21 '3D HNCO LRA' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 'For detecting hydrogen bonds' 52365 1 22 '3D HNHA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52365 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52365 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 52365 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 52365 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 52365 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52365 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name F' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52365 1 2 '2D 1H-13C HSQC' . . . 52365 1 6 '3D CBCA(CO)NH' . . . 52365 1 7 '3D HNCO' . . . 52365 1 8 '3D HNCACB' . . . 52365 1 9 '3D HN(CA)CO' . . . 52365 1 10 '3D H(CCO)NH' . . . 52365 1 11 '3D C(CO)NH' . . . 52365 1 12 '3D 15N-separated NOESY' . . . 52365 1 13 '3D 13C-separated NOESY' . . . 52365 1 17 '3D 1H-15N TOCSY' . . . 52365 1 22 '3D HNHA' . . . 52365 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52365 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.083 0.004 . 1 . . . . . 1 MET HA . 52365 1 2 . 1 . 1 1 1 MET HB2 H 1 1.962 0.002 . 2 . . . . . 1 MET QB . 52365 1 3 . 1 . 1 1 1 MET HB3 H 1 1.962 0.002 . 2 . . . . . 1 MET QB . 52365 1 4 . 1 . 1 1 1 MET HG2 H 1 2.395 0.006 . 2 . . . . . 1 MET HG2 . 52365 1 5 . 1 . 1 1 1 MET HG3 H 1 2.421 0.000 . 2 . . . . . 1 MET HG3 . 52365 1 6 . 1 . 1 1 1 MET C C 13 171.275 0.008 . 1 . . . . . 1 MET C . 52365 1 7 . 1 . 1 1 1 MET CA C 13 54.733 0.024 . 1 . . . . . 1 MET CA . 52365 1 8 . 1 . 1 1 1 MET CB C 13 32.931 0.003 . 1 . . . . . 1 MET CB . 52365 1 9 . 1 . 1 1 1 MET CG C 13 31.243 0.000 . 1 . . . . . 1 MET CG . 52365 1 10 . 1 . 1 2 2 MET H H 1 9.098 0.007 . 1 . . . . . 2 MET HN . 52365 1 11 . 1 . 1 2 2 MET HA H 1 4.639 0.004 . 1 . . . . . 2 MET HA . 52365 1 12 . 1 . 1 2 2 MET HB2 H 1 1.675 0.000 . 2 . . . . . 2 MET HB2 . 52365 1 13 . 1 . 1 2 2 MET HB3 H 1 1.822 0.000 . 2 . . . . . 2 MET HB3 . 52365 1 14 . 1 . 1 2 2 MET HG2 H 1 1.894 0.011 . 2 . . . . . 2 MET HG2 . 52365 1 15 . 1 . 1 2 2 MET HG3 H 1 2.219 0.001 . 2 . . . . . 2 MET HG3 . 52365 1 16 . 1 . 1 2 2 MET C C 13 172.076 0.005 . 1 . . . . . 2 MET C . 52365 1 17 . 1 . 1 2 2 MET CA C 13 54.182 0.006 . 1 . . . . . 2 MET CA . 52365 1 18 . 1 . 1 2 2 MET CB C 13 35.486 0.012 . 1 . . . . . 2 MET CB . 52365 1 19 . 1 . 1 2 2 MET CG C 13 31.249 0.000 . 1 . . . . . 2 MET CG . 52365 1 20 . 1 . 1 2 2 MET N N 15 120.064 0.022 . 1 . . . . . 2 MET N . 52365 1 21 . 1 . 1 3 3 GLN H H 1 8.237 0.005 . 1 . . . . . 3 GLN HN . 52365 1 22 . 1 . 1 3 3 GLN HA H 1 4.955 0.001 . 1 . . . . . 3 GLN HA . 52365 1 23 . 1 . 1 3 3 GLN HB2 H 1 1.892 0.016 . 2 . . . . . 3 GLN HB2 . 52365 1 24 . 1 . 1 3 3 GLN HB3 H 1 1.947 0.000 . 2 . . . . . 3 GLN HB3 . 52365 1 25 . 1 . 1 3 3 GLN HG2 H 1 2.352 0.000 . 2 . . . . . 3 GLN QG . 52365 1 26 . 1 . 1 3 3 GLN HG3 H 1 2.352 0.000 . 2 . . . . . 3 GLN QG . 52365 1 27 . 1 . 1 3 3 GLN HE21 H 1 7.053 0.001 . 2 . . . . . 3 GLN HE21 . 52365 1 28 . 1 . 1 3 3 GLN HE22 H 1 6.879 0.000 . 2 . . . . . 3 GLN HE22 . 52365 1 29 . 1 . 1 3 3 GLN C C 13 175.422 0.008 . 1 . . . . . 3 GLN C . 52365 1 30 . 1 . 1 3 3 GLN CA C 13 54.449 0.020 . 1 . . . . . 3 GLN CA . 52365 1 31 . 1 . 1 3 3 GLN CB C 13 30.599 0.009 . 1 . . . . . 3 GLN CB . 52365 1 32 . 1 . 1 3 3 GLN CG C 13 34.526 0.000 . 1 . . . . . 3 GLN CG . 52365 1 33 . 1 . 1 3 3 GLN CD C 13 180.243 0.004 . 1 . . . . . 3 GLN CD . 52365 1 34 . 1 . 1 3 3 GLN N N 15 122.606 0.024 . 1 . . . . . 3 GLN N . 52365 1 35 . 1 . 1 3 3 GLN NE2 N 15 112.431 0.000 . 1 . . . . . 3 GLN NE2 . 52365 1 36 . 1 . 1 4 4 ILE H H 1 8.262 0.003 . 1 . . . . . 4 ILE HN . 52365 1 37 . 1 . 1 4 4 ILE HA H 1 4.177 0.007 . 1 . . . . . 4 ILE HA . 52365 1 38 . 1 . 1 4 4 ILE HB H 1 1.635 0.003 . 1 . . . . . 4 ILE HB . 52365 1 39 . 1 . 1 4 4 ILE HG12 H 1 0.919 0.008 . 2 . . . . . 4 ILE QG1 . 52365 1 40 . 1 . 1 4 4 ILE HG13 H 1 0.919 0.008 . 2 . . . . . 4 ILE QG1 . 52365 1 41 . 1 . 1 4 4 ILE HG21 H 1 0.649 0.005 . 1 . . . . . 4 ILE QG2 . 52365 1 42 . 1 . 1 4 4 ILE HG22 H 1 0.649 0.005 . 1 . . . . . 4 ILE QG2 . 52365 1 43 . 1 . 1 4 4 ILE HG23 H 1 0.649 0.005 . 1 . . . . . 4 ILE QG2 . 52365 1 44 . 1 . 1 4 4 ILE HD11 H 1 0.464 0.004 . 1 . . . . . 4 ILE QD1 . 52365 1 45 . 1 . 1 4 4 ILE HD12 H 1 0.464 0.004 . 1 . . . . . 4 ILE QD1 . 52365 1 46 . 1 . 1 4 4 ILE HD13 H 1 0.464 0.004 . 1 . . . . . 4 ILE QD1 . 52365 1 47 . 1 . 1 4 4 ILE C C 13 172.321 0.016 . 1 . . . . . 4 ILE C . 52365 1 48 . 1 . 1 4 4 ILE CA C 13 59.161 0.010 . 1 . . . . . 4 ILE CA . 52365 1 49 . 1 . 1 4 4 ILE CB C 13 41.931 0.023 . 1 . . . . . 4 ILE CB . 52365 1 50 . 1 . 1 4 4 ILE CG1 C 13 24.989 0.000 . 1 . . . . . 4 ILE CG1 . 52365 1 51 . 1 . 1 4 4 ILE CG2 C 13 17.536 0.000 . 1 . . . . . 4 ILE CG2 . 52365 1 52 . 1 . 1 4 4 ILE CD1 C 13 13.678 0.000 . 1 . . . . . 4 ILE CD1 . 52365 1 53 . 1 . 1 4 4 ILE N N 15 116.781 0.029 . 1 . . . . . 4 ILE N . 52365 1 54 . 1 . 1 5 5 PHE H H 1 8.548 0.004 . 1 . . . . . 5 PHE HN . 52365 1 55 . 1 . 1 5 5 PHE HA H 1 5.438 0.003 . 1 . . . . . 5 PHE HA . 52365 1 56 . 1 . 1 5 5 PHE HB2 H 1 2.904 0.004 . 2 . . . . . 5 PHE HB2 . 52365 1 57 . 1 . 1 5 5 PHE HB3 H 1 2.704 0.006 . 2 . . . . . 5 PHE HB3 . 52365 1 58 . 1 . 1 5 5 PHE C C 13 175.105 0.015 . 1 . . . . . 5 PHE C . 52365 1 59 . 1 . 1 5 5 PHE CA C 13 55.212 0.021 . 1 . . . . . 5 PHE CA . 52365 1 60 . 1 . 1 5 5 PHE CB C 13 41.368 0.016 . 1 . . . . . 5 PHE CB . 52365 1 61 . 1 . 1 5 5 PHE N N 15 118.172 0.038 . 1 . . . . . 5 PHE N . 52365 1 62 . 1 . 1 6 6 VAL H H 1 9.091 0.005 . 1 . . . . . 6 VAL HN . 52365 1 63 . 1 . 1 6 6 VAL HA H 1 4.588 0.005 . 1 . . . . . 6 VAL HA . 52365 1 64 . 1 . 1 6 6 VAL HB H 1 1.762 0.011 . 1 . . . . . 6 VAL HB . 52365 1 65 . 1 . 1 6 6 VAL HG11 H 1 0.547 0.018 . 2 . . . . . 6 VAL QG1 . 52365 1 66 . 1 . 1 6 6 VAL HG12 H 1 0.547 0.018 . 2 . . . . . 6 VAL QG1 . 52365 1 67 . 1 . 1 6 6 VAL HG13 H 1 0.547 0.018 . 2 . . . . . 6 VAL QG1 . 52365 1 68 . 1 . 1 6 6 VAL HG21 H 1 0.571 0.004 . 2 . . . . . 6 VAL QG2 . 52365 1 69 . 1 . 1 6 6 VAL HG22 H 1 0.571 0.004 . 2 . . . . . 6 VAL QG2 . 52365 1 70 . 1 . 1 6 6 VAL HG23 H 1 0.571 0.004 . 2 . . . . . 6 VAL QG2 . 52365 1 71 . 1 . 1 6 6 VAL C C 13 174.653 0.014 . 1 . . . . . 6 VAL C . 52365 1 72 . 1 . 1 6 6 VAL CA C 13 60.623 0.017 . 1 . . . . . 6 VAL CA . 52365 1 73 . 1 . 1 6 6 VAL CB C 13 33.771 0.049 . 1 . . . . . 6 VAL CB . 52365 1 74 . 1 . 1 6 6 VAL CG1 C 13 20.339 0.000 . 2 . . . . . 6 VAL CG1 . 52365 1 75 . 1 . 1 6 6 VAL CG2 C 13 22.150 0.000 . 2 . . . . . 6 VAL CG2 . 52365 1 76 . 1 . 1 6 6 VAL N N 15 120.731 0.044 . 1 . . . . . 6 VAL N . 52365 1 77 . 1 . 1 7 7 LYS H H 1 8.683 0.004 . 1 . . . . . 7 LYS HN . 52365 1 78 . 1 . 1 7 7 LYS HA H 1 5.175 0.006 . 1 . . . . . 7 LYS HA . 52365 1 79 . 1 . 1 7 7 LYS HB2 H 1 1.477 0.005 . 2 . . . . . 7 LYS QB . 52365 1 80 . 1 . 1 7 7 LYS HB3 H 1 1.477 0.005 . 2 . . . . . 7 LYS QB . 52365 1 81 . 1 . 1 7 7 LYS HG2 H 1 1.170 0.002 . 2 . . . . . 7 LYS HG2 . 52365 1 82 . 1 . 1 7 7 LYS HG3 H 1 1.171 0.003 . 2 . . . . . 7 LYS HG3 . 52365 1 83 . 1 . 1 7 7 LYS HD2 H 1 1.411 0.000 . 2 . . . . . 7 LYS QD . 52365 1 84 . 1 . 1 7 7 LYS HD3 H 1 1.411 0.000 . 2 . . . . . 7 LYS QD . 52365 1 85 . 1 . 1 7 7 LYS HE2 H 1 2.762 0.000 . 2 . . . . . 7 LYS QE . 52365 1 86 . 1 . 1 7 7 LYS HE3 H 1 2.762 0.000 . 2 . . . . . 7 LYS QE . 52365 1 87 . 1 . 1 7 7 LYS C C 13 176.562 0.031 . 1 . . . . . 7 LYS C . 52365 1 88 . 1 . 1 7 7 LYS CA C 13 54.523 0.010 . 1 . . . . . 7 LYS CA . 52365 1 89 . 1 . 1 7 7 LYS CB C 13 35.484 0.018 . 1 . . . . . 7 LYS CB . 52365 1 90 . 1 . 1 7 7 LYS CG C 13 24.732 0.000 . 1 . . . . . 7 LYS CG . 52365 1 91 . 1 . 1 7 7 LYS CD C 13 29.172 0.000 . 1 . . . . . 7 LYS CD . 52365 1 92 . 1 . 1 7 7 LYS CE C 13 41.787 0.000 . 1 . . . . . 7 LYS CE . 52365 1 93 . 1 . 1 7 7 LYS N N 15 128.067 0.043 . 1 . . . . . 7 LYS N . 52365 1 94 . 1 . 1 8 8 THR H H 1 8.516 0.004 . 1 . . . . . 8 THR HN . 52365 1 95 . 1 . 1 8 8 THR HA H 1 4.867 0.007 . 1 . . . . . 8 THR HA . 52365 1 96 . 1 . 1 8 8 THR HB H 1 4.668 0.006 . 1 . . . . . 8 THR HB . 52365 1 97 . 1 . 1 8 8 THR HG21 H 1 1.070 0.007 . 1 . . . . . 8 THR QG2 . 52365 1 98 . 1 . 1 8 8 THR HG22 H 1 1.070 0.007 . 1 . . . . . 8 THR QG2 . 52365 1 99 . 1 . 1 8 8 THR HG23 H 1 1.070 0.007 . 1 . . . . . 8 THR QG2 . 52365 1 100 . 1 . 1 8 8 THR C C 13 176.428 0.000 . 1 . . . . . 8 THR C . 52365 1 101 . 1 . 1 8 8 THR CA C 13 60.341 0.005 . 1 . . . . . 8 THR CA . 52365 1 102 . 1 . 1 8 8 THR CB C 13 70.588 0.007 . 1 . . . . . 8 THR CB . 52365 1 103 . 1 . 1 8 8 THR CG2 C 13 21.274 0.000 . 1 . . . . . 8 THR CG2 . 52365 1 104 . 1 . 1 8 8 THR N N 15 115.865 0.040 . 1 . . . . . 8 THR N . 52365 1 105 . 1 . 1 9 9 LEU H H 1 8.966 0.008 . 1 . . . . . 9 LEU HN . 52365 1 106 . 1 . 1 9 9 LEU HA H 1 4.139 0.001 . 1 . . . . . 9 LEU HA . 52365 1 107 . 1 . 1 9 9 LEU HB2 H 1 1.643 0.007 . 2 . . . . . 9 LEU HB2 . 52365 1 108 . 1 . 1 9 9 LEU HB3 H 1 1.767 0.007 . 2 . . . . . 9 LEU HB3 . 52365 1 109 . 1 . 1 9 9 LEU HG H 1 1.690 0.005 . 1 . . . . . 9 LEU HG . 52365 1 110 . 1 . 1 9 9 LEU HD11 H 1 0.870 0.001 . 2 . . . . . 9 LEU QD1 . 52365 1 111 . 1 . 1 9 9 LEU HD12 H 1 0.870 0.001 . 2 . . . . . 9 LEU QD1 . 52365 1 112 . 1 . 1 9 9 LEU HD13 H 1 0.870 0.001 . 2 . . . . . 9 LEU QD1 . 52365 1 113 . 1 . 1 9 9 LEU HD21 H 1 0.849 0.000 . 2 . . . . . 9 LEU QD2 . 52365 1 114 . 1 . 1 9 9 LEU HD22 H 1 0.849 0.000 . 2 . . . . . 9 LEU QD2 . 52365 1 115 . 1 . 1 9 9 LEU HD23 H 1 0.849 0.000 . 2 . . . . . 9 LEU QD2 . 52365 1 116 . 1 . 1 9 9 LEU C C 13 178.425 0.008 . 1 . . . . . 9 LEU C . 52365 1 117 . 1 . 1 9 9 LEU CA C 13 57.605 0.030 . 1 . . . . . 9 LEU CA . 52365 1 118 . 1 . 1 9 9 LEU CB C 13 41.749 0.011 . 1 . . . . . 9 LEU CB . 52365 1 119 . 1 . 1 9 9 LEU CG C 13 27.038 0.000 . 1 . . . . . 9 LEU CG . 52365 1 120 . 1 . 1 9 9 LEU CD1 C 13 24.768 0.000 . 2 . . . . . 9 LEU CD1 . 52365 1 121 . 1 . 1 9 9 LEU CD2 C 13 23.786 0.000 . 2 . . . . . 9 LEU CD2 . 52365 1 122 . 1 . 1 9 9 LEU N N 15 122.016 0.026 . 1 . . . . . 9 LEU N . 52365 1 123 . 1 . 1 10 10 THR H H 1 7.511 0.007 . 1 . . . . . 10 THR HN . 52365 1 124 . 1 . 1 10 10 THR HA H 1 4.281 0.008 . 1 . . . . . 10 THR HA . 52365 1 125 . 1 . 1 10 10 THR HB H 1 4.444 0.006 . 1 . . . . . 10 THR HB . 52365 1 126 . 1 . 1 10 10 THR HG21 H 1 1.111 0.006 . 1 . . . . . 10 THR QG2 . 52365 1 127 . 1 . 1 10 10 THR HG22 H 1 1.111 0.006 . 1 . . . . . 10 THR QG2 . 52365 1 128 . 1 . 1 10 10 THR HG23 H 1 1.111 0.006 . 1 . . . . . 10 THR QG2 . 52365 1 129 . 1 . 1 10 10 THR C C 13 175.101 0.000 . 1 . . . . . 10 THR C . 52365 1 130 . 1 . 1 10 10 THR CA C 13 61.307 0.022 . 1 . . . . . 10 THR CA . 52365 1 131 . 1 . 1 10 10 THR CB C 13 69.092 0.035 . 1 . . . . . 10 THR CB . 52365 1 132 . 1 . 1 10 10 THR CG2 C 13 21.661 0.000 . 1 . . . . . 10 THR CG2 . 52365 1 133 . 1 . 1 10 10 THR N N 15 105.602 0.066 . 1 . . . . . 10 THR N . 52365 1 134 . 1 . 1 11 11 GLY H H 1 7.689 0.005 . 1 . . . . . 11 GLY HN . 52365 1 135 . 1 . 1 11 11 GLY HA2 H 1 3.515 0.005 . 2 . . . . . 11 GLY HA1 . 52365 1 136 . 1 . 1 11 11 GLY HA3 H 1 4.164 0.015 . 2 . . . . . 11 GLY HA2 . 52365 1 137 . 1 . 1 11 11 GLY C C 13 173.896 0.005 . 1 . . . . . 11 GLY C . 52365 1 138 . 1 . 1 11 11 GLY CA C 13 45.117 0.022 . 1 . . . . . 11 GLY CA . 52365 1 139 . 1 . 1 11 11 GLY N N 15 109.162 0.019 . 1 . . . . . 11 GLY N . 52365 1 140 . 1 . 1 12 12 LYS H H 1 7.276 0.006 . 1 . . . . . 12 LYS HN . 52365 1 141 . 1 . 1 12 12 LYS HA H 1 4.244 0.002 . 1 . . . . . 12 LYS HA . 52365 1 142 . 1 . 1 12 12 LYS HB2 H 1 1.578 0.007 . 2 . . . . . 12 LYS HB2 . 52365 1 143 . 1 . 1 12 12 LYS HB3 H 1 1.651 0.004 . 2 . . . . . 12 LYS HB3 . 52365 1 144 . 1 . 1 12 12 LYS HG2 H 1 1.163 0.013 . 2 . . . . . 12 LYS HG2 . 52365 1 145 . 1 . 1 12 12 LYS HG3 H 1 1.268 0.004 . 2 . . . . . 12 LYS HG3 . 52365 1 146 . 1 . 1 12 12 LYS HD2 H 1 1.517 0.000 . 2 . . . . . 12 LYS QD . 52365 1 147 . 1 . 1 12 12 LYS HD3 H 1 1.517 0.000 . 2 . . . . . 12 LYS QD . 52365 1 148 . 1 . 1 12 12 LYS HE2 H 1 2.823 0.000 . 2 . . . . . 12 LYS QE . 52365 1 149 . 1 . 1 12 12 LYS HE3 H 1 2.823 0.000 . 1 . . . . . 12 LYS QE . 52365 1 150 . 1 . 1 12 12 LYS C C 13 176.100 0.006 . 1 . . . . . 12 LYS C . 52365 1 151 . 1 . 1 12 12 LYS CA C 13 56.057 0.012 . 1 . . . . . 12 LYS CA . 52365 1 152 . 1 . 1 12 12 LYS CB C 13 32.586 0.028 . 1 . . . . . 12 LYS CB . 52365 1 153 . 1 . 1 12 12 LYS CG C 13 24.575 0.000 . 1 . . . . . 12 LYS CG . 52365 1 154 . 1 . 1 12 12 LYS CD C 13 28.802 0.000 . 1 . . . . . 12 LYS CD . 52365 1 155 . 1 . 1 12 12 LYS CE C 13 42.003 0.000 . 1 . . . . . 12 LYS CE . 52365 1 156 . 1 . 1 12 12 LYS N N 15 121.241 0.023 . 1 . . . . . 12 LYS N . 52365 1 157 . 1 . 1 13 13 THR H H 1 8.645 0.010 . 1 . . . . . 13 THR HN . 52365 1 158 . 1 . 1 13 13 THR HA H 1 4.889 0.004 . 1 . . . . . 13 THR HA . 52365 1 159 . 1 . 1 13 13 THR HB H 1 3.806 0.003 . 1 . . . . . 13 THR HB . 52365 1 160 . 1 . 1 13 13 THR HG21 H 1 0.963 0.010 . 1 . . . . . 13 THR QG2 . 52365 1 161 . 1 . 1 13 13 THR HG22 H 1 0.963 0.010 . 1 . . . . . 13 THR QG2 . 52365 1 162 . 1 . 1 13 13 THR HG23 H 1 0.963 0.010 . 1 . . . . . 13 THR QG2 . 52365 1 163 . 1 . 1 13 13 THR C C 13 174.005 0.007 . 1 . . . . . 13 THR C . 52365 1 164 . 1 . 1 13 13 THR CA C 13 62.421 0.012 . 1 . . . . . 13 THR CA . 52365 1 165 . 1 . 1 13 13 THR CB C 13 69.978 0.018 . 1 . . . . . 13 THR CB . 52365 1 166 . 1 . 1 13 13 THR CG2 C 13 21.894 0.000 . 1 . . . . . 13 THR CG2 . 52365 1 167 . 1 . 1 13 13 THR N N 15 120.887 0.020 . 1 . . . . . 13 THR N . 52365 1 168 . 1 . 1 14 14 ILE H H 1 9.067 0.003 . 1 . . . . . 14 ILE HN . 52365 1 169 . 1 . 1 14 14 ILE HA H 1 4.460 0.004 . 1 . . . . . 14 ILE HA . 52365 1 170 . 1 . 1 14 14 ILE HB H 1 1.723 0.007 . 1 . . . . . 14 ILE HB . 52365 1 171 . 1 . 1 14 14 ILE HG12 H 1 0.926 0.013 . 2 . . . . . 14 ILE HG12 . 52365 1 172 . 1 . 1 14 14 ILE HG13 H 1 1.291 0.008 . 2 . . . . . 14 ILE HG13 . 52365 1 173 . 1 . 1 14 14 ILE HG21 H 1 0.710 0.006 . 1 . . . . . 14 ILE QG2 . 52365 1 174 . 1 . 1 14 14 ILE HG22 H 1 0.710 0.006 . 1 . . . . . 14 ILE QG2 . 52365 1 175 . 1 . 1 14 14 ILE HG23 H 1 0.710 0.006 . 1 . . . . . 14 ILE QG2 . 52365 1 176 . 1 . 1 14 14 ILE HD11 H 1 0.581 0.007 . 1 . . . . . 14 ILE QD1 . 52365 1 177 . 1 . 1 14 14 ILE HD12 H 1 0.581 0.007 . 1 . . . . . 14 ILE QD1 . 52365 1 178 . 1 . 1 14 14 ILE HD13 H 1 0.581 0.007 . 1 . . . . . 14 ILE QD1 . 52365 1 179 . 1 . 1 14 14 ILE C C 13 174.757 0.012 . 1 . . . . . 14 ILE C . 52365 1 180 . 1 . 1 14 14 ILE CA C 13 59.716 0.023 . 1 . . . . . 14 ILE CA . 52365 1 181 . 1 . 1 14 14 ILE CB C 13 40.847 0.017 . 1 . . . . . 14 ILE CB . 52365 1 182 . 1 . 1 14 14 ILE CG1 C 13 26.571 0.000 . 1 . . . . . 14 ILE CG1 . 52365 1 183 . 1 . 1 14 14 ILE CG2 C 13 17.475 0.000 . 1 . . . . . 14 ILE CG2 . 52365 1 184 . 1 . 1 14 14 ILE CD1 C 13 14.176 0.000 . 1 . . . . . 14 ILE CD1 . 52365 1 185 . 1 . 1 14 14 ILE N N 15 125.466 0.025 . 1 . . . . . 14 ILE N . 52365 1 186 . 1 . 1 15 15 THR H H 1 8.553 0.009 . 1 . . . . . 15 THR HN . 52365 1 187 . 1 . 1 15 15 THR HA H 1 4.800 0.008 . 1 . . . . . 15 THR HA . 52365 1 188 . 1 . 1 15 15 THR HB H 1 3.868 0.006 . 1 . . . . . 15 THR HB . 52365 1 189 . 1 . 1 15 15 THR HG21 H 1 0.950 0.007 . 1 . . . . . 15 THR QG2 . 52365 1 190 . 1 . 1 15 15 THR HG22 H 1 0.950 0.007 . 1 . . . . . 15 THR QG2 . 52365 1 191 . 1 . 1 15 15 THR HG23 H 1 0.950 0.007 . 1 . . . . . 15 THR QG2 . 52365 1 192 . 1 . 1 15 15 THR C C 13 173.510 0.000 . 1 . . . . . 15 THR C . 52365 1 193 . 1 . 1 15 15 THR CA C 13 61.530 0.006 . 1 . . . . . 15 THR CA . 52365 1 194 . 1 . 1 15 15 THR CB C 13 69.640 0.020 . 1 . . . . . 15 THR CB . 52365 1 195 . 1 . 1 15 15 THR CG2 C 13 21.728 0.000 . 1 . . . . . 15 THR CG2 . 52365 1 196 . 1 . 1 15 15 THR N N 15 120.729 0.021 . 1 . . . . . 15 THR N . 52365 1 197 . 1 . 1 16 16 LEU H H 1 8.626 0.005 . 1 . . . . . 16 LEU HN . 52365 1 198 . 1 . 1 16 16 LEU HA H 1 4.699 0.010 . 1 . . . . . 16 LEU HA . 52365 1 199 . 1 . 1 16 16 LEU HB2 H 1 1.228 0.003 . 2 . . . . . 16 LEU QB . 52365 1 200 . 1 . 1 16 16 LEU HB3 H 1 1.228 0.003 . 2 . . . . . 16 LEU QB . 52365 1 201 . 1 . 1 16 16 LEU HG H 1 1.043 0.001 . 1 . . . . . 16 LEU HG . 52365 1 202 . 1 . 1 16 16 LEU HD11 H 1 0.550 0.003 . 2 . . . . . 16 LEU QD1 . 52365 1 203 . 1 . 1 16 16 LEU HD12 H 1 0.550 0.003 . 2 . . . . . 16 LEU QD1 . 52365 1 204 . 1 . 1 16 16 LEU HD13 H 1 0.550 0.003 . 2 . . . . . 16 LEU QD1 . 52365 1 205 . 1 . 1 16 16 LEU HD21 H 1 0.640 0.006 . 2 . . . . . 16 LEU QD2 . 52365 1 206 . 1 . 1 16 16 LEU HD22 H 1 0.640 0.006 . 2 . . . . . 16 LEU QD2 . 52365 1 207 . 1 . 1 16 16 LEU HD23 H 1 0.640 0.006 . 2 . . . . . 16 LEU QD2 . 52365 1 208 . 1 . 1 16 16 LEU C C 13 174.733 0.024 . 1 . . . . . 16 LEU C . 52365 1 209 . 1 . 1 16 16 LEU CA C 13 52.711 0.032 . 1 . . . . . 16 LEU CA . 52365 1 210 . 1 . 1 16 16 LEU CB C 13 46.557 0.002 . 1 . . . . . 16 LEU CB . 52365 1 211 . 1 . 1 16 16 LEU CG C 13 26.782 0.000 . 1 . . . . . 16 LEU CG . 52365 1 212 . 1 . 1 16 16 LEU CD1 C 13 24.028 0.000 . 2 . . . . . 16 LEU CD1 . 52365 1 213 . 1 . 1 16 16 LEU CD2 C 13 24.028 0.000 . 2 . . . . . 16 LEU CD2 . 52365 1 214 . 1 . 1 16 16 LEU N N 15 124.304 0.026 . 1 . . . . . 16 LEU N . 52365 1 215 . 1 . 1 17 17 GLU H H 1 8.164 0.007 . 1 . . . . . 17 GLU HN . 52365 1 216 . 1 . 1 17 17 GLU HA H 1 4.783 0.005 . 1 . . . . . 17 GLU HA . 52365 1 217 . 1 . 1 17 17 GLU HB2 H 1 1.744 0.010 . 2 . . . . . 17 GLU HB2 . 52365 1 218 . 1 . 1 17 17 GLU HB3 H 1 1.851 0.003 . 2 . . . . . 17 GLU HB3 . 52365 1 219 . 1 . 1 17 17 GLU HG2 H 1 2.200 0.013 . 2 . . . . . 17 GLU HG2 . 52365 1 220 . 1 . 1 17 17 GLU HG3 H 1 2.294 0.003 . 2 . . . . . 17 GLU HG3 . 52365 1 221 . 1 . 1 17 17 GLU C C 13 175.689 0.005 . 1 . . . . . 17 GLU C . 52365 1 222 . 1 . 1 17 17 GLU CA C 13 54.332 0.027 . 1 . . . . . 17 GLU CA . 52365 1 223 . 1 . 1 17 17 GLU CB C 13 28.235 0.016 . 1 . . . . . 17 GLU CB . 52365 1 224 . 1 . 1 17 17 GLU CG C 13 32.059 0.000 . 1 . . . . . 17 GLU CG . 52365 1 225 . 1 . 1 17 17 GLU N N 15 121.156 0.032 . 1 . . . . . 17 GLU N . 52365 1 226 . 1 . 1 18 18 VAL H H 1 8.877 0.006 . 1 . . . . . 18 VAL HN . 52365 1 227 . 1 . 1 18 18 VAL HA H 1 4.666 0.005 . 1 . . . . . 18 VAL HA . 52365 1 228 . 1 . 1 18 18 VAL HB H 1 2.101 0.001 . 1 . . . . . 18 VAL HB . 52365 1 229 . 1 . 1 18 18 VAL HG11 H 1 0.561 0.016 . 2 . . . . . 18 VAL QG1 . 52365 1 230 . 1 . 1 18 18 VAL HG12 H 1 0.561 0.016 . 2 . . . . . 18 VAL QG1 . 52365 1 231 . 1 . 1 18 18 VAL HG13 H 1 0.561 0.016 . 2 . . . . . 18 VAL QG1 . 52365 1 232 . 1 . 1 18 18 VAL HG21 H 1 0.333 0.006 . 2 . . . . . 18 VAL QG2 . 52365 1 233 . 1 . 1 18 18 VAL HG22 H 1 0.333 0.006 . 2 . . . . . 18 VAL QG2 . 52365 1 234 . 1 . 1 18 18 VAL HG23 H 1 0.333 0.006 . 2 . . . . . 18 VAL QG2 . 52365 1 235 . 1 . 1 18 18 VAL C C 13 173.929 0.006 . 1 . . . . . 18 VAL C . 52365 1 236 . 1 . 1 18 18 VAL CA C 13 58.330 0.041 . 1 . . . . . 18 VAL CA . 52365 1 237 . 1 . 1 18 18 VAL CB C 13 35.906 0.024 . 1 . . . . . 18 VAL CB . 52365 1 238 . 1 . 1 18 18 VAL CG1 C 13 21.932 0.000 . 2 . . . . . 18 VAL CG1 . 52365 1 239 . 1 . 1 18 18 VAL CG2 C 13 18.897 0.000 . 2 . . . . . 18 VAL CG2 . 52365 1 240 . 1 . 1 18 18 VAL N N 15 115.636 0.025 . 1 . . . . . 18 VAL N . 52365 1 241 . 1 . 1 19 19 GLU H H 1 7.028 0.003 . 1 . . . . . 19 GLU HN . 52365 1 242 . 1 . 1 19 19 GLU HA H 1 4.872 0.018 . 1 . . . . . 19 GLU HA . 52365 1 243 . 1 . 1 19 19 GLU HB2 H 1 1.616 0.009 . 2 . . . . . 19 GLU HB2 . 52365 1 244 . 1 . 1 19 19 GLU HB3 H 1 2.137 0.005 . 2 . . . . . 19 GLU HB3 . 52365 1 245 . 1 . 1 19 19 GLU HG2 H 1 2.374 0.015 . 2 . . . . . 19 GLU HG2 . 52365 1 246 . 1 . 1 19 19 GLU HG3 H 1 2.381 0.003 . 2 . . . . . 19 GLU HG3 . 52365 1 247 . 1 . 1 19 19 GLU C C 13 177.703 0.014 . 1 . . . . . 19 GLU C . 52365 1 248 . 1 . 1 19 19 GLU CA C 13 53.540 0.016 . 1 . . . . . 19 GLU CA . 52365 1 249 . 1 . 1 19 19 GLU CB C 13 30.608 0.012 . 1 . . . . . 19 GLU CB . 52365 1 250 . 1 . 1 19 19 GLU CG C 13 32.180 0.000 . 1 . . . . . 19 GLU CG . 52365 1 251 . 1 . 1 19 19 GLU N N 15 114.963 0.029 . 1 . . . . . 19 GLU N . 52365 1 252 . 1 . 1 20 20 SER H H 1 9.152 0.009 . 1 . . . . . 20 SER HN . 52365 1 253 . 1 . 1 20 20 SER HA H 1 3.827 0.012 . 1 . . . . . 20 SER HA . 52365 1 254 . 1 . 1 20 20 SER HB2 H 1 3.784 0.012 . 2 . . . . . 20 SER HB2 . 52365 1 255 . 1 . 1 20 20 SER HB3 H 1 3.804 0.024 . 2 . . . . . 20 SER HB3 . 52365 1 256 . 1 . 1 20 20 SER C C 13 172.753 0.020 . 1 . . . . . 20 SER C . 52365 1 257 . 1 . 1 20 20 SER CA C 13 62.392 0.026 . 1 . . . . . 20 SER CA . 52365 1 258 . 1 . 1 20 20 SER CB C 13 61.941 0.029 . 1 . . . . . 20 SER CB . 52365 1 259 . 1 . 1 20 20 SER N N 15 119.751 0.039 . 1 . . . . . 20 SER N . 52365 1 260 . 1 . 1 21 21 SER H H 1 7.224 0.004 . 1 . . . . . 21 SER HN . 52365 1 261 . 1 . 1 21 21 SER HA H 1 4.216 0.003 . 1 . . . . . 21 SER HA . 52365 1 262 . 1 . 1 21 21 SER HB2 H 1 4.007 0.006 . 2 . . . . . 21 SER HB2 . 52365 1 263 . 1 . 1 21 21 SER HB3 H 1 3.654 0.006 . 2 . . . . . 21 SER HB3 . 52365 1 264 . 1 . 1 21 21 SER C C 13 174.231 0.008 . 1 . . . . . 21 SER C . 52365 1 265 . 1 . 1 21 21 SER CA C 13 57.551 0.034 . 1 . . . . . 21 SER CA . 52365 1 266 . 1 . 1 21 21 SER CB C 13 63.120 0.024 . 1 . . . . . 21 SER CB . 52365 1 267 . 1 . 1 21 21 SER N N 15 109.833 0.020 . 1 . . . . . 21 SER N . 52365 1 268 . 1 . 1 22 22 ASP H H 1 7.685 0.004 . 1 . . . . . 22 ASP HN . 52365 1 269 . 1 . 1 22 22 ASP HA H 1 4.643 0.005 . 1 . . . . . 22 ASP HA . 52365 1 270 . 1 . 1 22 22 ASP HB2 H 1 2.877 0.009 . 2 . . . . . 22 ASP HB2 . 52365 1 271 . 1 . 1 22 22 ASP HB3 H 1 2.639 0.007 . 2 . . . . . 22 ASP HB3 . 52365 1 272 . 1 . 1 22 22 ASP C C 13 175.342 0.003 . 1 . . . . . 22 ASP C . 52365 1 273 . 1 . 1 22 22 ASP CA C 13 53.535 0.007 . 1 . . . . . 22 ASP CA . 52365 1 274 . 1 . 1 22 22 ASP CB C 13 37.860 0.020 . 1 . . . . . 22 ASP CB . 52365 1 275 . 1 . 1 22 22 ASP N N 15 120.764 0.022 . 1 . . . . . 22 ASP N . 52365 1 276 . 1 . 1 23 23 THR H H 1 8.276 0.012 . 1 . . . . . 23 THR HN . 52365 1 277 . 1 . 1 23 23 THR HA H 1 4.719 0.021 . 1 . . . . . 23 THR HA . 52365 1 278 . 1 . 1 23 23 THR HG21 H 1 1.141 0.005 . 1 . . . . . 23 THR QG2 . 52365 1 279 . 1 . 1 23 23 THR HG22 H 1 1.141 0.005 . 1 . . . . . 23 THR QG2 . 52365 1 280 . 1 . 1 23 23 THR HG23 H 1 1.141 0.005 . 1 . . . . . 23 THR QG2 . 52365 1 281 . 1 . 1 23 23 THR C C 13 176.416 0.001 . 1 . . . . . 23 THR C . 52365 1 282 . 1 . 1 23 23 THR CA C 13 59.889 0.019 . 1 . . . . . 23 THR CA . 52365 1 283 . 1 . 1 23 23 THR CB C 13 71.304 0.006 . 1 . . . . . 23 THR CB . 52365 1 284 . 1 . 1 23 23 THR CG2 C 13 21.696 0.000 . 1 . . . . . 23 THR CG2 . 52365 1 285 . 1 . 1 23 23 THR N N 15 110.102 0.030 . 1 . . . . . 23 THR N . 52365 1 286 . 1 . 1 24 24 ILE H H 1 8.475 0.003 . 1 . . . . . 24 ILE HN . 52365 1 287 . 1 . 1 24 24 ILE HA H 1 3.536 0.007 . 1 . . . . . 24 ILE HA . 52365 1 288 . 1 . 1 24 24 ILE HB H 1 2.464 0.010 . 1 . . . . . 24 ILE HB . 52365 1 289 . 1 . 1 24 24 ILE HG12 H 1 1.701 0.005 . 2 . . . . . 24 ILE HG12 . 52365 1 290 . 1 . 1 24 24 ILE HG13 H 1 1.092 0.007 . 2 . . . . . 24 ILE HG13 . 52365 1 291 . 1 . 1 24 24 ILE HG21 H 1 0.637 0.006 . 1 . . . . . 24 ILE QG2 . 52365 1 292 . 1 . 1 24 24 ILE HG22 H 1 0.637 0.006 . 1 . . . . . 24 ILE QG2 . 52365 1 293 . 1 . 1 24 24 ILE HG23 H 1 0.637 0.006 . 1 . . . . . 24 ILE QG2 . 52365 1 294 . 1 . 1 24 24 ILE HD11 H 1 0.415 0.004 . 1 . . . . . 24 ILE QD1 . 52365 1 295 . 1 . 1 24 24 ILE HD12 H 1 0.415 0.004 . 1 . . . . . 24 ILE QD1 . 52365 1 296 . 1 . 1 24 24 ILE HD13 H 1 0.415 0.004 . 1 . . . . . 24 ILE QD1 . 52365 1 297 . 1 . 1 24 24 ILE C C 13 178.896 0.011 . 1 . . . . . 24 ILE C . 52365 1 298 . 1 . 1 24 24 ILE CA C 13 62.012 0.016 . 1 . . . . . 24 ILE CA . 52365 1 299 . 1 . 1 24 24 ILE CB C 13 33.816 0.016 . 1 . . . . . 24 ILE CB . 52365 1 300 . 1 . 1 24 24 ILE CG1 C 13 27.619 0.000 . 1 . . . . . 24 ILE CG1 . 52365 1 301 . 1 . 1 24 24 ILE CG2 C 13 17.656 0.000 . 1 . . . . . 24 ILE CG2 . 52365 1 302 . 1 . 1 24 24 ILE N N 15 121.582 0.026 . 1 . . . . . 24 ILE N . 52365 1 303 . 1 . 1 25 25 ASP H H 1 8.666 0.012 . 1 . . . . . 25 ASP HN . 52365 1 304 . 1 . 1 25 25 ASP HA H 1 4.148 0.011 . 1 . . . . . 25 ASP HA . 52365 1 305 . 1 . 1 25 25 ASP HB2 H 1 2.669 0.012 . 2 . . . . . 25 ASP QB . 52365 1 306 . 1 . 1 25 25 ASP HB3 H 1 2.669 0.012 . 2 . . . . . 25 ASP QB . 52365 1 307 . 1 . 1 25 25 ASP C C 13 177.415 0.030 . 1 . . . . . 25 ASP C . 52365 1 308 . 1 . 1 25 25 ASP CA C 13 56.565 0.023 . 1 . . . . . 25 ASP CA . 52365 1 309 . 1 . 1 25 25 ASP CB C 13 37.668 0.019 . 1 . . . . . 25 ASP CB . 52365 1 310 . 1 . 1 25 25 ASP N N 15 119.206 0.039 . 1 . . . . . 25 ASP N . 52365 1 311 . 1 . 1 26 26 ASN H H 1 7.899 0.005 . 1 . . . . . 26 ASN HN . 52365 1 312 . 1 . 1 26 26 ASN HA H 1 4.353 0.006 . 1 . . . . . 26 ASN HA . 52365 1 313 . 1 . 1 26 26 ASN HB2 H 1 2.818 0.012 . 2 . . . . . 26 ASN HB2 . 52365 1 314 . 1 . 1 26 26 ASN HB3 H 1 2.984 0.008 . 2 . . . . . 26 ASN HB3 . 52365 1 315 . 1 . 1 26 26 ASN HD21 H 1 7.525 0.000 . 2 . . . . . 26 ASN HD21 . 52365 1 316 . 1 . 1 26 26 ASN HD22 H 1 6.875 0.001 . 2 . . . . . 26 ASN HD22 . 52365 1 317 . 1 . 1 26 26 ASN C C 13 177.697 0.011 . 1 . . . . . 26 ASN C . 52365 1 318 . 1 . 1 26 26 ASN CA C 13 56.409 0.008 . 1 . . . . . 26 ASN CA . 52365 1 319 . 1 . 1 26 26 ASN CB C 13 38.981 0.027 . 1 . . . . . 26 ASN CB . 52365 1 320 . 1 . 1 26 26 ASN CG C 13 175.756 0.016 . 1 . . . . . 26 ASN CG . 52365 1 321 . 1 . 1 26 26 ASN N N 15 119.645 0.077 . 1 . . . . . 26 ASN N . 52365 1 322 . 1 . 1 26 26 ASN ND2 N 15 110.080 0.001 . 1 . . . . . 26 ASN ND2 . 52365 1 323 . 1 . 1 27 27 VAL H H 1 7.822 0.004 . 1 . . . . . 27 VAL HN . 52365 1 324 . 1 . 1 27 27 VAL HA H 1 3.229 0.003 . 1 . . . . . 27 VAL HA . 52365 1 325 . 1 . 1 27 27 VAL HB H 1 2.152 0.004 . 1 . . . . . 27 VAL HB . 52365 1 326 . 1 . 1 27 27 VAL HG11 H 1 0.568 0.013 . 2 . . . . . 27 VAL QG1 . 52365 1 327 . 1 . 1 27 27 VAL HG12 H 1 0.568 0.013 . 2 . . . . . 27 VAL QG1 . 52365 1 328 . 1 . 1 27 27 VAL HG13 H 1 0.568 0.013 . 2 . . . . . 27 VAL QG1 . 52365 1 329 . 1 . 1 27 27 VAL HG21 H 1 0.815 0.008 . 2 . . . . . 27 VAL QG2 . 52365 1 330 . 1 . 1 27 27 VAL HG22 H 1 0.815 0.008 . 2 . . . . . 27 VAL QG2 . 52365 1 331 . 1 . 1 27 27 VAL HG23 H 1 0.815 0.008 . 2 . . . . . 27 VAL QG2 . 52365 1 332 . 1 . 1 27 27 VAL C C 13 177.507 0.029 . 1 . . . . . 27 VAL C . 52365 1 333 . 1 . 1 27 27 VAL CA C 13 67.512 0.039 . 1 . . . . . 27 VAL CA . 52365 1 334 . 1 . 1 27 27 VAL CB C 13 30.689 0.046 . 1 . . . . . 27 VAL CB . 52365 1 335 . 1 . 1 27 27 VAL CG1 C 13 21.291 0.000 . 2 . . . . . 27 VAL CG1 . 52365 1 336 . 1 . 1 27 27 VAL CG2 C 13 23.386 0.000 . 2 . . . . . 27 VAL CG2 . 52365 1 337 . 1 . 1 27 27 VAL N N 15 121.026 0.027 . 1 . . . . . 27 VAL N . 52365 1 338 . 1 . 1 28 28 LYS H H 1 8.539 0.006 . 1 . . . . . 28 LYS HN . 52365 1 339 . 1 . 1 28 28 LYS HA H 1 4.460 0.007 . 1 . . . . . 28 LYS HA . 52365 1 340 . 1 . 1 28 28 LYS HB2 H 1 1.936 0.006 . 2 . . . . . 28 LYS HB2 . 52365 1 341 . 1 . 1 28 28 LYS HB3 H 1 1.935 0.006 . 2 . . . . . 28 LYS HB3 . 52365 1 342 . 1 . 1 28 28 LYS HG2 H 1 1.250 0.004 . 2 . . . . . 28 LYS QG . 52365 1 343 . 1 . 1 28 28 LYS HG3 H 1 1.250 0.004 . 2 . . . . . 28 LYS QG . 52365 1 344 . 1 . 1 28 28 LYS HD2 H 1 1.567 0.014 . 2 . . . . . 28 LYS HD2 . 52365 1 345 . 1 . 1 28 28 LYS HD3 H 1 1.481 0.004 . 2 . . . . . 28 LYS HD3 . 52365 1 346 . 1 . 1 28 28 LYS C C 13 180.171 0.009 . 1 . . . . . 28 LYS C . 52365 1 347 . 1 . 1 28 28 LYS CA C 13 59.271 0.050 . 1 . . . . . 28 LYS CA . 52365 1 348 . 1 . 1 28 28 LYS CB C 13 33.633 0.019 . 1 . . . . . 28 LYS CB . 52365 1 349 . 1 . 1 28 28 LYS CG C 13 25.996 0.000 . 1 . . . . . 28 LYS CG . 52365 1 350 . 1 . 1 28 28 LYS CD C 13 30.516 0.000 . 1 . . . . . 28 LYS CD . 52365 1 351 . 1 . 1 28 28 LYS CE C 13 42.702 0.000 . 1 . . . . . 28 LYS CE . 52365 1 352 . 1 . 1 28 28 LYS N N 15 118.721 0.029 . 1 . . . . . 28 LYS N . 52365 1 353 . 1 . 1 29 29 ALA H H 1 7.849 0.004 . 1 . . . . . 29 ALA HN . 52365 1 354 . 1 . 1 29 29 ALA HA H 1 4.016 0.005 . 1 . . . . . 29 ALA HA . 52365 1 355 . 1 . 1 29 29 ALA HB1 H 1 1.466 0.003 . 1 . . . . . 29 ALA HB# . 52365 1 356 . 1 . 1 29 29 ALA HB2 H 1 1.466 0.003 . 1 . . . . . 29 ALA HB# . 52365 1 357 . 1 . 1 29 29 ALA HB3 H 1 1.466 0.003 . 1 . . . . . 29 ALA HB# . 52365 1 358 . 1 . 1 29 29 ALA C C 13 180.002 0.016 . 1 . . . . . 29 ALA C . 52365 1 359 . 1 . 1 29 29 ALA CA C 13 55.125 0.029 . 1 . . . . . 29 ALA CA . 52365 1 360 . 1 . 1 29 29 ALA CB C 13 17.540 0.031 . 1 . . . . . 29 ALA CB . 52365 1 361 . 1 . 1 29 29 ALA N N 15 123.361 0.034 . 1 . . . . . 29 ALA N . 52365 1 362 . 1 . 1 30 30 LYS H H 1 7.667 0.002 . 1 . . . . . 30 LYS HN . 52365 1 363 . 1 . 1 30 30 LYS HA H 1 4.028 0.005 . 1 . . . . . 30 LYS HA . 52365 1 364 . 1 . 1 30 30 LYS HB2 H 1 1.989 0.009 . 2 . . . . . 30 LYS HB2 . 52365 1 365 . 1 . 1 30 30 LYS HB3 H 1 1.765 0.009 . 2 . . . . . 30 LYS HB3 . 52365 1 366 . 1 . 1 30 30 LYS HG2 H 1 1.296 0.000 . 2 . . . . . 30 LYS HG2 . 52365 1 367 . 1 . 1 30 30 LYS HG3 H 1 1.354 0.000 . 2 . . . . . 30 LYS HG3 . 52365 1 368 . 1 . 1 30 30 LYS HD2 H 1 1.596 0.008 . 2 . . . . . 30 LYS HD2 . 52365 1 369 . 1 . 1 30 30 LYS HD3 H 1 1.499 0.011 . 2 . . . . . 30 LYS HD3 . 52365 1 370 . 1 . 1 30 30 LYS C C 13 179.862 0.042 . 1 . . . . . 30 LYS C . 52365 1 371 . 1 . 1 30 30 LYS CA C 13 59.385 0.032 . 1 . . . . . 30 LYS CA . 52365 1 372 . 1 . 1 30 30 LYS CB C 13 32.733 0.044 . 1 . . . . . 30 LYS CB . 52365 1 373 . 1 . 1 30 30 LYS CG C 13 25.539 0.000 . 1 . . . . . 30 LYS CG . 52365 1 374 . 1 . 1 30 30 LYS CD C 13 29.164 0.000 . 1 . . . . . 30 LYS CD . 52365 1 375 . 1 . 1 30 30 LYS N N 15 119.586 0.013 . 1 . . . . . 30 LYS N . 52365 1 376 . 1 . 1 31 31 ILE H H 1 8.195 0.008 . 1 . . . . . 31 ILE HN . 52365 1 377 . 1 . 1 31 31 ILE HA H 1 3.332 0.004 . 1 . . . . . 31 ILE HA . 52365 1 378 . 1 . 1 31 31 ILE HB H 1 2.177 0.012 . 1 . . . . . 31 ILE HB . 52365 1 379 . 1 . 1 31 31 ILE HG12 H 1 1.824 0.000 . 2 . . . . . 31 ILE QG1 . 52365 1 380 . 1 . 1 31 31 ILE HG13 H 1 1.824 0.000 . 2 . . . . . 31 ILE QG1 . 52365 1 381 . 1 . 1 31 31 ILE HG21 H 1 0.727 0.018 . 1 . . . . . 31 ILE QG2 . 52365 1 382 . 1 . 1 31 31 ILE HG22 H 1 0.727 0.018 . 1 . . . . . 31 ILE QG2 . 52365 1 383 . 1 . 1 31 31 ILE HG23 H 1 0.727 0.018 . 1 . . . . . 31 ILE QG2 . 52365 1 384 . 1 . 1 31 31 ILE HD11 H 1 0.551 0.012 . 1 . . . . . 31 ILE QD1 . 52365 1 385 . 1 . 1 31 31 ILE HD12 H 1 0.551 0.012 . 1 . . . . . 31 ILE QD1 . 52365 1 386 . 1 . 1 31 31 ILE HD13 H 1 0.551 0.012 . 1 . . . . . 31 ILE QD1 . 52365 1 387 . 1 . 1 31 31 ILE C C 13 178.199 0.007 . 1 . . . . . 31 ILE C . 52365 1 388 . 1 . 1 31 31 ILE CA C 13 66.033 0.053 . 1 . . . . . 31 ILE CA . 52365 1 389 . 1 . 1 31 31 ILE CB C 13 36.593 0.020 . 1 . . . . . 31 ILE CB . 52365 1 390 . 1 . 1 31 31 ILE CG1 C 13 30.470 0.000 . 1 . . . . . 31 ILE CG1 . 52365 1 391 . 1 . 1 31 31 ILE CG2 C 13 16.666 0.000 . 1 . . . . . 31 ILE CG2 . 52365 1 392 . 1 . 1 31 31 ILE N N 15 121.003 0.031 . 1 . . . . . 31 ILE N . 52365 1 393 . 1 . 1 32 32 GLN H H 1 8.531 0.005 . 1 . . . . . 32 GLN HN . 52365 1 394 . 1 . 1 32 32 GLN HA H 1 3.696 0.017 . 1 . . . . . 32 GLN HA . 52365 1 395 . 1 . 1 32 32 GLN HB2 H 1 1.801 0.009 . 2 . . . . . 32 GLN HB2 . 52365 1 396 . 1 . 1 32 32 GLN HB3 H 1 2.079 0.003 . 2 . . . . . 32 GLN HB3 . 52365 1 397 . 1 . 1 32 32 GLN HG2 H 1 2.309 0.003 . 2 . . . . . 32 GLN QG . 52365 1 398 . 1 . 1 32 32 GLN HG3 H 1 2.309 0.003 . 2 . . . . . 32 GLN QG . 52365 1 399 . 1 . 1 32 32 GLN HE21 H 1 7.524 0.000 . 2 . . . . . 32 GLN HE21 . 52365 1 400 . 1 . 1 32 32 GLN HE22 H 1 6.721 0.001 . 2 . . . . . 32 GLN HE22 . 52365 1 401 . 1 . 1 32 32 GLN C C 13 178.666 0.012 . 1 . . . . . 32 GLN C . 52365 1 402 . 1 . 1 32 32 GLN CA C 13 59.761 0.030 . 1 . . . . . 32 GLN CA . 52365 1 403 . 1 . 1 32 32 GLN CB C 13 27.394 0.044 . 1 . . . . . 32 GLN CB . 52365 1 404 . 1 . 1 32 32 GLN CG C 13 33.221 0.000 . 1 . . . . . 32 GLN CG . 52365 1 405 . 1 . 1 32 32 GLN CD C 13 178.999 0.015 . 1 . . . . . 32 GLN CD . 52365 1 406 . 1 . 1 32 32 GLN N N 15 123.505 0.021 . 1 . . . . . 32 GLN N . 52365 1 407 . 1 . 1 32 32 GLN NE2 N 15 110.507 0.000 . 1 . . . . . 32 GLN NE2 . 52365 1 408 . 1 . 1 33 33 ASP H H 1 8.011 0.004 . 1 . . . . . 33 ASP HN . 52365 1 409 . 1 . 1 33 33 ASP HA H 1 4.256 0.006 . 1 . . . . . 33 ASP HA . 52365 1 410 . 1 . 1 33 33 ASP HB2 H 1 2.901 0.006 . 2 . . . . . 33 ASP HB2 . 52365 1 411 . 1 . 1 33 33 ASP HB3 H 1 2.945 0.010 . 2 . . . . . 33 ASP HB3 . 52365 1 412 . 1 . 1 33 33 ASP C C 13 176.157 0.028 . 1 . . . . . 33 ASP C . 52365 1 413 . 1 . 1 33 33 ASP CA C 13 55.889 0.003 . 1 . . . . . 33 ASP CA . 52365 1 414 . 1 . 1 33 33 ASP CB C 13 37.520 0.034 . 1 . . . . . 33 ASP CB . 52365 1 415 . 1 . 1 33 33 ASP N N 15 118.434 0.014 . 1 . . . . . 33 ASP N . 52365 1 416 . 1 . 1 34 34 LYS H H 1 7.456 0.004 . 1 . . . . . 34 LYS HN . 52365 1 417 . 1 . 1 34 34 LYS HA H 1 4.222 0.003 . 1 . . . . . 34 LYS HA . 52365 1 418 . 1 . 1 34 34 LYS HB2 H 1 1.686 0.014 . 2 . . . . . 34 LYS HB2 . 52365 1 419 . 1 . 1 34 34 LYS HB3 H 1 1.772 0.010 . 2 . . . . . 34 LYS HB3 . 52365 1 420 . 1 . 1 34 34 LYS HG2 H 1 1.434 0.005 . 2 . . . . . 34 LYS QG . 52365 1 421 . 1 . 1 34 34 LYS HG3 H 1 1.434 0.005 . 2 . . . . . 34 LYS QG . 52365 1 422 . 1 . 1 34 34 LYS HD2 H 1 1.538 0.000 . 2 . . . . . 34 LYS QD . 52365 1 423 . 1 . 1 34 34 LYS HD3 H 1 1.538 0.000 . 2 . . . . . 34 LYS QD . 52365 1 424 . 1 . 1 34 34 LYS HE2 H 1 2.959 0.000 . 2 . . . . . 34 LYS QE . 52365 1 425 . 1 . 1 34 34 LYS HE3 H 1 2.959 0.000 . 2 . . . . . 34 LYS QE . 52365 1 426 . 1 . 1 34 34 LYS C C 13 177.459 0.012 . 1 . . . . . 34 LYS C . 52365 1 427 . 1 . 1 34 34 LYS CA C 13 57.845 0.022 . 1 . . . . . 34 LYS CA . 52365 1 428 . 1 . 1 34 34 LYS CB C 13 34.095 0.021 . 1 . . . . . 34 LYS CB . 52365 1 429 . 1 . 1 34 34 LYS CG C 13 25.128 0.000 . 1 . . . . . 34 LYS CG . 52365 1 430 . 1 . 1 34 34 LYS CD C 13 28.732 0.000 . 1 . . . . . 34 LYS CD . 52365 1 431 . 1 . 1 34 34 LYS N N 15 115.646 0.016 . 1 . . . . . 34 LYS N . 52365 1 432 . 1 . 1 35 35 GLU H H 1 8.629 0.005 . 1 . . . . . 35 GLU HN . 52365 1 433 . 1 . 1 35 35 GLU HA H 1 4.568 0.008 . 1 . . . . . 35 GLU HA . 52365 1 434 . 1 . 1 35 35 GLU HB2 H 1 1.595 0.007 . 2 . . . . . 35 GLU HB2 . 52365 1 435 . 1 . 1 35 35 GLU HB3 H 1 2.136 0.003 . 2 . . . . . 35 GLU HB3 . 52365 1 436 . 1 . 1 35 35 GLU HG2 H 1 2.169 0.010 . 2 . . . . . 35 GLU HG2 . 52365 1 437 . 1 . 1 35 35 GLU HG3 H 1 2.152 0.005 . 2 . . . . . 35 GLU HG3 . 52365 1 438 . 1 . 1 35 35 GLU C C 13 176.978 0.009 . 1 . . . . . 35 GLU C . 52365 1 439 . 1 . 1 35 35 GLU CA C 13 54.737 0.017 . 1 . . . . . 35 GLU CA . 52365 1 440 . 1 . 1 35 35 GLU CB C 13 31.231 0.016 . 1 . . . . . 35 GLU CB . 52365 1 441 . 1 . 1 35 35 GLU CG C 13 32.818 0.000 . 1 . . . . . 35 GLU CG . 52365 1 442 . 1 . 1 35 35 GLU N N 15 112.886 0.042 . 1 . . . . . 35 GLU N . 52365 1 443 . 1 . 1 36 36 GLY H H 1 8.430 0.004 . 1 . . . . . 36 GLY HN . 52365 1 444 . 1 . 1 36 36 GLY HA2 H 1 3.995 0.005 . 2 . . . . . 36 GLY HA1 . 52365 1 445 . 1 . 1 36 36 GLY HA3 H 1 3.777 0.006 . 2 . . . . . 36 GLY HA2 . 52365 1 446 . 1 . 1 36 36 GLY C C 13 173.533 0.002 . 1 . . . . . 36 GLY C . 52365 1 447 . 1 . 1 36 36 GLY CA C 13 46.016 0.026 . 1 . . . . . 36 GLY CA . 52365 1 448 . 1 . 1 36 36 GLY N N 15 108.784 0.023 . 1 . . . . . 36 GLY N . 52365 1 449 . 1 . 1 37 37 ILE H H 1 6.001 0.002 . 1 . . . . . 37 ILE HN . 52365 1 450 . 1 . 1 37 37 ILE HA H 1 4.291 0.004 . 1 . . . . . 37 ILE HA . 52365 1 451 . 1 . 1 37 37 ILE HB H 1 1.239 0.004 . 1 . . . . . 37 ILE HB . 52365 1 452 . 1 . 1 37 37 ILE HG12 H 1 0.936 0.001 . 2 . . . . . 37 ILE QG1 . 52365 1 453 . 1 . 1 37 37 ILE HG13 H 1 0.936 0.001 . 2 . . . . . 37 ILE QG1 . 52365 1 454 . 1 . 1 37 37 ILE HG21 H 1 0.796 0.001 . 1 . . . . . 37 ILE QG2 . 52365 1 455 . 1 . 1 37 37 ILE HG22 H 1 0.796 0.001 . 1 . . . . . 37 ILE QG2 . 52365 1 456 . 1 . 1 37 37 ILE HG23 H 1 0.796 0.001 . 1 . . . . . 37 ILE QG2 . 52365 1 457 . 1 . 1 37 37 ILE HD11 H 1 0.617 0.017 . 1 . . . . . 37 ILE QD1 . 52365 1 458 . 1 . 1 37 37 ILE HD12 H 1 0.617 0.017 . 1 . . . . . 37 ILE QD1 . 52365 1 459 . 1 . 1 37 37 ILE HD13 H 1 0.617 0.017 . 1 . . . . . 37 ILE QD1 . 52365 1 460 . 1 . 1 37 37 ILE CA C 13 57.575 0.000 . 1 . . . . . 37 ILE CA . 52365 1 461 . 1 . 1 37 37 ILE CB C 13 40.414 0.000 . 1 . . . . . 37 ILE CB . 52365 1 462 . 1 . 1 37 37 ILE N N 15 119.790 0.011 . 1 . . . . . 37 ILE N . 52365 1 463 . 1 . 1 39 39 PRO HA H 1 3.951 0.005 . 1 . . . . . 39 PRO HA . 52365 1 464 . 1 . 1 39 39 PRO HB2 H 1 2.050 0.007 . 2 . . . . . 39 PRO HB2 . 52365 1 465 . 1 . 1 39 39 PRO HB3 H 1 1.863 0.009 . 2 . . . . . 39 PRO HB3 . 52365 1 466 . 1 . 1 39 39 PRO HG2 H 1 1.401 0.000 . 2 . . . . . 39 PRO HG2 . 52365 1 467 . 1 . 1 39 39 PRO HD2 H 1 3.605 0.002 . 2 . . . . . 39 PRO HD2 . 52365 1 468 . 1 . 1 39 39 PRO C C 13 178.166 0.003 . 1 . . . . . 39 PRO C . 52365 1 469 . 1 . 1 39 39 PRO CA C 13 66.232 0.019 . 1 . . . . . 39 PRO CA . 52365 1 470 . 1 . 1 39 39 PRO CB C 13 32.463 0.049 . 1 . . . . . 39 PRO CB . 52365 1 471 . 1 . 1 39 39 PRO CG C 13 27.322 0.000 . 1 . . . . . 39 PRO CG . 52365 1 472 . 1 . 1 39 39 PRO CD C 13 50.947 0.000 . 1 . . . . . 39 PRO CD . 52365 1 473 . 1 . 1 40 40 ASP H H 1 8.730 0.012 . 1 . . . . . 40 ASP HN . 52365 1 474 . 1 . 1 40 40 ASP HA H 1 4.347 0.006 . 1 . . . . . 40 ASP HA . 52365 1 475 . 1 . 1 40 40 ASP HB2 H 1 2.968 0.012 . 2 . . . . . 40 ASP HB2 . 52365 1 476 . 1 . 1 40 40 ASP HB3 H 1 2.827 0.010 . 2 . . . . . 40 ASP HB3 . 52365 1 477 . 1 . 1 40 40 ASP C C 13 176.132 0.018 . 1 . . . . . 40 ASP C . 52365 1 478 . 1 . 1 40 40 ASP CA C 13 54.483 0.007 . 1 . . . . . 40 ASP CA . 52365 1 479 . 1 . 1 40 40 ASP CB C 13 36.500 0.023 . 1 . . . . . 40 ASP CB . 52365 1 480 . 1 . 1 40 40 ASP N N 15 113.187 0.028 . 1 . . . . . 40 ASP N . 52365 1 481 . 1 . 1 41 41 GLN H H 1 7.871 0.006 . 1 . . . . . 41 GLN HN . 52365 1 482 . 1 . 1 41 41 GLN HA H 1 4.336 0.005 . 1 . . . . . 41 GLN HA . 52365 1 483 . 1 . 1 41 41 GLN HB2 H 1 1.717 0.011 . 2 . . . . . 41 GLN HB2 . 52365 1 484 . 1 . 1 41 41 GLN HB3 H 1 1.724 0.006 . 2 . . . . . 41 GLN HB3 . 52365 1 485 . 1 . 1 41 41 GLN HG2 H 1 2.259 0.003 . 2 . . . . . 41 GLN QG . 52365 1 486 . 1 . 1 41 41 GLN HG3 H 1 2.259 0.003 . 2 . . . . . 41 GLN QG . 52365 1 487 . 1 . 1 41 41 GLN HE21 H 1 7.247 0.001 . 2 . . . . . 41 GLN HE21 . 52365 1 488 . 1 . 1 41 41 GLN HE22 H 1 6.684 0.000 . 2 . . . . . 41 GLN HE22 . 52365 1 489 . 1 . 1 41 41 GLN C C 13 174.799 0.009 . 1 . . . . . 41 GLN C . 52365 1 490 . 1 . 1 41 41 GLN CA C 13 55.421 0.007 . 1 . . . . . 41 GLN CA . 52365 1 491 . 1 . 1 41 41 GLN CB C 13 29.882 0.019 . 1 . . . . . 41 GLN CB . 52365 1 492 . 1 . 1 41 41 GLN CG C 13 34.144 0.000 . 1 . . . . . 41 GLN CG . 52365 1 493 . 1 . 1 41 41 GLN CD C 13 179.166 0.007 . 1 . . . . . 41 GLN CD . 52365 1 494 . 1 . 1 41 41 GLN N N 15 118.270 0.021 . 1 . . . . . 41 GLN N . 52365 1 495 . 1 . 1 41 41 GLN NE2 N 15 109.967 0.011 . 1 . . . . . 41 GLN NE2 . 52365 1 496 . 1 . 1 42 42 GLN H H 1 7.397 0.005 . 1 . . . . . 42 GLN HN . 52365 1 497 . 1 . 1 42 42 GLN HA H 1 4.091 0.004 . 1 . . . . . 42 GLN HA . 52365 1 498 . 1 . 1 42 42 GLN HB2 H 1 1.496 0.004 . 2 . . . . . 42 GLN HB2 . 52365 1 499 . 1 . 1 42 42 GLN HB3 H 1 1.737 0.006 . 2 . . . . . 42 GLN HB3 . 52365 1 500 . 1 . 1 42 42 GLN HG2 H 1 2.346 0.010 . 2 . . . . . 42 GLN HG2 . 52365 1 501 . 1 . 1 42 42 GLN HG3 H 1 1.782 0.008 . 2 . . . . . 42 GLN HG3 . 52365 1 502 . 1 . 1 42 42 GLN HE21 H 1 6.363 0.003 . 2 . . . . . 42 GLN HE21 . 52365 1 503 . 1 . 1 42 42 GLN HE22 H 1 6.143 0.004 . 2 . . . . . 42 GLN HE22 . 52365 1 504 . 1 . 1 42 42 GLN C C 13 176.053 0.002 . 1 . . . . . 42 GLN C . 52365 1 505 . 1 . 1 42 42 GLN CA C 13 56.064 0.028 . 1 . . . . . 42 GLN CA . 52365 1 506 . 1 . 1 42 42 GLN CB C 13 31.365 0.013 . 1 . . . . . 42 GLN CB . 52365 1 507 . 1 . 1 42 42 GLN CG C 13 32.963 0.000 . 1 . . . . . 42 GLN CG . 52365 1 508 . 1 . 1 42 42 GLN CD C 13 174.794 0.006 . 1 . . . . . 42 GLN CD . 52365 1 509 . 1 . 1 42 42 GLN N N 15 117.672 0.015 . 1 . . . . . 42 GLN N . 52365 1 510 . 1 . 1 42 42 GLN NE2 N 15 104.235 0.000 . 1 . . . . . 42 GLN NE2 . 52365 1 511 . 1 . 1 43 43 ARG H H 1 8.439 0.004 . 1 . . . . . 43 ARG HN . 52365 1 512 . 1 . 1 43 43 ARG HA H 1 4.365 0.005 . 1 . . . . . 43 ARG HA . 52365 1 513 . 1 . 1 43 43 ARG HB2 H 1 1.632 0.002 . 2 . . . . . 43 ARG HB2 . 52365 1 514 . 1 . 1 43 43 ARG HB3 H 1 1.499 0.006 . 2 . . . . . 43 ARG HB3 . 52365 1 515 . 1 . 1 43 43 ARG HG2 H 1 1.278 0.003 . 2 . . . . . 43 ARG HG2 . 52365 1 516 . 1 . 1 43 43 ARG HG3 H 1 1.365 0.014 . 2 . . . . . 43 ARG HG3 . 52365 1 517 . 1 . 1 43 43 ARG HD2 H 1 2.935 0.001 . 2 . . . . . 43 ARG QD . 52365 1 518 . 1 . 1 43 43 ARG HD3 H 1 2.935 0.001 . 2 . . . . . 43 ARG QD . 52365 1 519 . 1 . 1 43 43 ARG C C 13 173.797 0.010 . 1 . . . . . 43 ARG C . 52365 1 520 . 1 . 1 43 43 ARG CA C 13 54.979 0.034 . 1 . . . . . 43 ARG CA . 52365 1 521 . 1 . 1 43 43 ARG CB C 13 31.452 0.017 . 1 . . . . . 43 ARG CB . 52365 1 522 . 1 . 1 43 43 ARG CG C 13 26.791 0.000 . 1 . . . . . 43 ARG CG . 52365 1 523 . 1 . 1 43 43 ARG CD C 13 43.479 0.000 . 1 . . . . . 43 ARG CD . 52365 1 524 . 1 . 1 43 43 ARG N N 15 123.647 0.019 . 1 . . . . . 43 ARG N . 52365 1 525 . 1 . 1 44 44 LEU H H 1 8.789 0.009 . 1 . . . . . 44 LEU HN . 52365 1 526 . 1 . 1 44 44 LEU HA H 1 5.222 0.006 . 1 . . . . . 44 LEU HA . 52365 1 527 . 1 . 1 44 44 LEU HB2 H 1 1.432 0.009 . 2 . . . . . 44 LEU HB2 . 52365 1 528 . 1 . 1 44 44 LEU HB3 H 1 1.429 0.011 . 2 . . . . . 44 LEU HB3 . 52365 1 529 . 1 . 1 44 44 LEU HG H 1 1.324 0.003 . 1 . . . . . 44 LEU HG . 52365 1 530 . 1 . 1 44 44 LEU HD11 H 1 1.005 0.008 . 2 . . . . . 44 LEU QD1 . 52365 1 531 . 1 . 1 44 44 LEU HD12 H 1 1.005 0.008 . 2 . . . . . 44 LEU QD1 . 52365 1 532 . 1 . 1 44 44 LEU HD13 H 1 1.005 0.008 . 2 . . . . . 44 LEU QD1 . 52365 1 533 . 1 . 1 44 44 LEU HD21 H 1 0.639 0.010 . 2 . . . . . 44 LEU QD2 . 52365 1 534 . 1 . 1 44 44 LEU HD22 H 1 0.639 0.010 . 2 . . . . . 44 LEU QD2 . 52365 1 535 . 1 . 1 44 44 LEU HD23 H 1 0.639 0.010 . 2 . . . . . 44 LEU QD2 . 52365 1 536 . 1 . 1 44 44 LEU C C 13 174.896 0.019 . 1 . . . . . 44 LEU C . 52365 1 537 . 1 . 1 44 44 LEU CA C 13 52.836 0.032 . 1 . . . . . 44 LEU CA . 52365 1 538 . 1 . 1 44 44 LEU CB C 13 45.425 0.035 . 1 . . . . . 44 LEU CB . 52365 1 539 . 1 . 1 44 44 LEU CG C 13 26.116 0.000 . 1 . . . . . 44 LEU CG . 52365 1 540 . 1 . 1 44 44 LEU CD1 C 13 23.984 0.000 . 2 . . . . . 44 LEU CD1 . 52365 1 541 . 1 . 1 44 44 LEU CD2 C 13 23.984 0.000 . 2 . . . . . 44 LEU CD2 . 52365 1 542 . 1 . 1 44 44 LEU N N 15 124.482 0.023 . 1 . . . . . 44 LEU N . 52365 1 543 . 1 . 1 45 45 ILE H H 1 8.944 0.004 . 1 . . . . . 45 ILE HN . 52365 1 544 . 1 . 1 45 45 ILE HA H 1 4.840 0.004 . 1 . . . . . 45 ILE HA . 52365 1 545 . 1 . 1 45 45 ILE HB H 1 1.520 0.010 . 1 . . . . . 45 ILE HB . 52365 1 546 . 1 . 1 45 45 ILE HG12 H 1 1.195 0.005 . 2 . . . . . 45 ILE HG12 . 52365 1 547 . 1 . 1 45 45 ILE HG13 H 1 1.199 0.003 . 2 . . . . . 45 ILE HG13 . 52365 1 548 . 1 . 1 45 45 ILE HG21 H 1 0.922 0.017 . 1 . . . . . 45 ILE QG2 . 52365 1 549 . 1 . 1 45 45 ILE HG22 H 1 0.922 0.017 . 1 . . . . . 45 ILE QG2 . 52365 1 550 . 1 . 1 45 45 ILE HG23 H 1 0.922 0.017 . 1 . . . . . 45 ILE QG2 . 52365 1 551 . 1 . 1 45 45 ILE HD11 H 1 0.533 0.012 . 1 . . . . . 45 ILE QD1 . 52365 1 552 . 1 . 1 45 45 ILE HD12 H 1 0.533 0.012 . 1 . . . . . 45 ILE QD1 . 52365 1 553 . 1 . 1 45 45 ILE HD13 H 1 0.533 0.012 . 1 . . . . . 45 ILE QD1 . 52365 1 554 . 1 . 1 45 45 ILE C C 13 175.750 0.011 . 1 . . . . . 45 ILE C . 52365 1 555 . 1 . 1 45 45 ILE CA C 13 58.800 0.033 . 1 . . . . . 45 ILE CA . 52365 1 556 . 1 . 1 45 45 ILE CB C 13 41.214 0.037 . 1 . . . . . 45 ILE CB . 52365 1 557 . 1 . 1 45 45 ILE CG1 C 13 27.741 0.000 . 1 . . . . . 45 ILE CG1 . 52365 1 558 . 1 . 1 45 45 ILE CG2 C 13 17.317 0.000 . 1 . . . . . 45 ILE CG2 . 52365 1 559 . 1 . 1 45 45 ILE N N 15 122.308 0.030 . 1 . . . . . 45 ILE N . 52365 1 560 . 1 . 1 46 46 PHE H H 1 8.622 0.002 . 1 . . . . . 46 PHE HN . 52365 1 561 . 1 . 1 46 46 PHE HA H 1 4.854 0.006 . 1 . . . . . 46 PHE HA . 52365 1 562 . 1 . 1 46 46 PHE HB2 H 1 2.628 0.006 . 2 . . . . . 46 PHE HB2 . 52365 1 563 . 1 . 1 46 46 PHE HB3 H 1 2.902 0.003 . 2 . . . . . 46 PHE HB3 . 52365 1 564 . 1 . 1 46 46 PHE C C 13 174.100 0.008 . 1 . . . . . 46 PHE C . 52365 1 565 . 1 . 1 46 46 PHE CA C 13 57.129 0.019 . 1 . . . . . 46 PHE CA . 52365 1 566 . 1 . 1 46 46 PHE CB C 13 43.724 0.001 . 1 . . . . . 46 PHE CB . 52365 1 567 . 1 . 1 46 46 PHE N N 15 125.345 0.043 . 1 . . . . . 46 PHE N . 52365 1 568 . 1 . 1 47 47 ALA H H 1 8.596 0.006 . 1 . . . . . 47 ALA HN . 52365 1 569 . 1 . 1 47 47 ALA HA H 1 3.542 0.005 . 1 . . . . . 47 ALA HA . 52365 1 570 . 1 . 1 47 47 ALA HB1 H 1 0.776 0.007 . 1 . . . . . 47 ALA HB# . 52365 1 571 . 1 . 1 47 47 ALA HB2 H 1 0.776 0.007 . 1 . . . . . 47 ALA HB# . 52365 1 572 . 1 . 1 47 47 ALA HB3 H 1 0.776 0.007 . 1 . . . . . 47 ALA HB# . 52365 1 573 . 1 . 1 47 47 ALA C C 13 176.997 0.009 . 1 . . . . . 47 ALA C . 52365 1 574 . 1 . 1 47 47 ALA CA C 13 52.381 0.024 . 1 . . . . . 47 ALA CA . 52365 1 575 . 1 . 1 47 47 ALA CB C 13 16.331 0.033 . 1 . . . . . 47 ALA CB . 52365 1 576 . 1 . 1 47 47 ALA N N 15 132.445 0.016 . 1 . . . . . 47 ALA N . 52365 1 577 . 1 . 1 48 48 GLY H H 1 8.106 0.010 . 1 . . . . . 48 GLY HN . 52365 1 578 . 1 . 1 48 48 GLY HA2 H 1 3.926 0.002 . 2 . . . . . 48 GLY HA1 . 52365 1 579 . 1 . 1 48 48 GLY HA3 H 1 3.322 0.004 . 2 . . . . . 48 GLY HA2 . 52365 1 580 . 1 . 1 48 48 GLY C C 13 173.592 0.005 . 1 . . . . . 48 GLY C . 52365 1 581 . 1 . 1 48 48 GLY CA C 13 45.159 0.030 . 1 . . . . . 48 GLY CA . 52365 1 582 . 1 . 1 48 48 GLY N N 15 102.716 0.019 . 1 . . . . . 48 GLY N . 52365 1 583 . 1 . 1 49 49 LYS H H 1 7.826 0.003 . 1 . . . . . 49 LYS HN . 52365 1 584 . 1 . 1 49 49 LYS HA H 1 4.485 0.004 . 1 . . . . . 49 LYS HA . 52365 1 585 . 1 . 1 49 49 LYS HB2 H 1 1.702 0.004 . 2 . . . . . 49 LYS HB2 . 52365 1 586 . 1 . 1 49 49 LYS HB3 H 1 1.754 0.002 . 2 . . . . . 49 LYS HB3 . 52365 1 587 . 1 . 1 49 49 LYS HG2 H 1 1.365 0.003 . 2 . . . . . 49 LYS QG . 52365 1 588 . 1 . 1 49 49 LYS HG3 H 1 1.365 0.003 . 2 . . . . . 49 LYS QG . 52365 1 589 . 1 . 1 49 49 LYS HD2 H 1 1.678 0.000 . 2 . . . . . 49 LYS QD . 52365 1 590 . 1 . 1 49 49 LYS HD3 H 1 1.678 0.000 . 2 . . . . . 49 LYS QD . 52365 1 591 . 1 . 1 49 49 LYS HE2 H 1 3.004 0.000 . 2 . . . . . 49 LYS QE . 52365 1 592 . 1 . 1 49 49 LYS HE3 H 1 3.004 0.000 . 2 . . . . . 49 LYS QE . 52365 1 593 . 1 . 1 49 49 LYS C C 13 174.509 0.009 . 1 . . . . . 49 LYS C . 52365 1 594 . 1 . 1 49 49 LYS CA C 13 54.426 0.040 . 1 . . . . . 49 LYS CA . 52365 1 595 . 1 . 1 49 49 LYS CB C 13 34.314 0.013 . 1 . . . . . 49 LYS CB . 52365 1 596 . 1 . 1 49 49 LYS CG C 13 24.297 0.000 . 1 . . . . . 49 LYS CG . 52365 1 597 . 1 . 1 49 49 LYS CD C 13 28.930 0.000 . 1 . . . . . 49 LYS CD . 52365 1 598 . 1 . 1 49 49 LYS CE C 13 42.033 0.000 . 1 . . . . . 49 LYS CE . 52365 1 599 . 1 . 1 49 49 LYS N N 15 121.348 0.023 . 1 . . . . . 49 LYS N . 52365 1 600 . 1 . 1 50 50 GLN H H 1 8.501 0.007 . 1 . . . . . 50 GLN HN . 52365 1 601 . 1 . 1 50 50 GLN HA H 1 4.356 0.003 . 1 . . . . . 50 GLN HA . 52365 1 602 . 1 . 1 50 50 GLN HB2 H 1 1.831 0.005 . 2 . . . . . 50 GLN QB . 52365 1 603 . 1 . 1 50 50 GLN HB3 H 1 1.831 0.005 . 2 . . . . . 50 GLN QB . 52365 1 604 . 1 . 1 50 50 GLN HG2 H 1 2.102 0.007 . 2 . . . . . 50 GLN HG2 . 52365 1 605 . 1 . 1 50 50 GLN HG3 H 1 2.111 0.005 . 2 . . . . . 50 GLN HG3 . 52365 1 606 . 1 . 1 50 50 GLN HE21 H 1 7.353 0.001 . 2 . . . . . 50 GLN HE21 . 52365 1 607 . 1 . 1 50 50 GLN HE22 H 1 6.740 0.000 . 2 . . . . . 50 GLN HE22 . 52365 1 608 . 1 . 1 50 50 GLN C C 13 175.527 0.002 . 1 . . . . . 50 GLN C . 52365 1 609 . 1 . 1 50 50 GLN CA C 13 55.582 0.021 . 1 . . . . . 50 GLN CA . 52365 1 610 . 1 . 1 50 50 GLN CB C 13 28.615 0.026 . 1 . . . . . 50 GLN CB . 52365 1 611 . 1 . 1 50 50 GLN CG C 13 34.317 0.000 . 1 . . . . . 50 GLN CG . 52365 1 612 . 1 . 1 50 50 GLN CD C 13 179.418 0.031 . 1 . . . . . 50 GLN CD . 52365 1 613 . 1 . 1 50 50 GLN N N 15 122.082 0.023 . 1 . . . . . 50 GLN N . 52365 1 614 . 1 . 1 50 50 GLN NE2 N 15 111.965 0.001 . 1 . . . . . 50 GLN NE2 . 52365 1 615 . 1 . 1 51 51 LEU H H 1 8.425 0.005 . 1 . . . . . 51 LEU HN . 52365 1 616 . 1 . 1 51 51 LEU HA H 1 3.913 0.002 . 1 . . . . . 51 LEU HA . 52365 1 617 . 1 . 1 51 51 LEU HB2 H 1 0.840 0.006 . 2 . . . . . 51 LEU HB2 . 52365 1 618 . 1 . 1 51 51 LEU HB3 H 1 1.354 0.008 . 2 . . . . . 51 LEU HB3 . 52365 1 619 . 1 . 1 51 51 LEU HG H 1 0.379 0.002 . 1 . . . . . 51 LEU HG . 52365 1 620 . 1 . 1 51 51 LEU HD11 H 1 -0.336 0.018 . 2 . . . . . 51 LEU QD1 . 52365 1 621 . 1 . 1 51 51 LEU HD12 H 1 -0.336 0.018 . 2 . . . . . 51 LEU QD1 . 52365 1 622 . 1 . 1 51 51 LEU HD13 H 1 -0.336 0.018 . 2 . . . . . 51 LEU QD1 . 52365 1 623 . 1 . 1 51 51 LEU HD21 H 1 -0.324 0.000 . 2 . . . . . 51 LEU QD2 . 52365 1 624 . 1 . 1 51 51 LEU HD22 H 1 -0.324 0.000 . 2 . . . . . 51 LEU QD2 . 52365 1 625 . 1 . 1 51 51 LEU HD23 H 1 -0.324 0.000 . 2 . . . . . 51 LEU QD2 . 52365 1 626 . 1 . 1 51 51 LEU C C 13 176.315 0.003 . 1 . . . . . 51 LEU C . 52365 1 627 . 1 . 1 51 51 LEU CA C 13 54.009 0.003 . 1 . . . . . 51 LEU CA . 52365 1 628 . 1 . 1 51 51 LEU CB C 13 41.336 0.012 . 1 . . . . . 51 LEU CB . 52365 1 629 . 1 . 1 51 51 LEU CG C 13 25.644 0.000 . 1 . . . . . 51 LEU CG . 52365 1 630 . 1 . 1 51 51 LEU CD1 C 13 19.324 0.000 . 2 . . . . . 51 LEU CD1 . 52365 1 631 . 1 . 1 51 51 LEU CD2 C 13 19.324 0.000 . 2 . . . . . 51 LEU CD2 . 52365 1 632 . 1 . 1 51 51 LEU N N 15 125.440 0.021 . 1 . . . . . 51 LEU N . 52365 1 633 . 1 . 1 52 52 GLU H H 1 8.291 0.008 . 1 . . . . . 52 GLU HN . 52365 1 634 . 1 . 1 52 52 GLU HA H 1 4.337 0.003 . 1 . . . . . 52 GLU HA . 52365 1 635 . 1 . 1 52 52 GLU HB2 H 1 1.882 0.003 . 2 . . . . . 52 GLU HB2 . 52365 1 636 . 1 . 1 52 52 GLU HB3 H 1 2.167 0.005 . 2 . . . . . 52 GLU HB3 . 52365 1 637 . 1 . 1 52 52 GLU HG2 H 1 2.473 0.008 . 2 . . . . . 52 GLU HG2 . 52365 1 638 . 1 . 1 52 52 GLU HG3 H 1 2.521 0.009 . 2 . . . . . 52 GLU HG3 . 52365 1 639 . 1 . 1 52 52 GLU C C 13 176.104 0.003 . 1 . . . . . 52 GLU C . 52365 1 640 . 1 . 1 52 52 GLU CA C 13 55.399 0.010 . 1 . . . . . 52 GLU CA . 52365 1 641 . 1 . 1 52 52 GLU CB C 13 29.488 0.027 . 1 . . . . . 52 GLU CB . 52365 1 642 . 1 . 1 52 52 GLU CG C 13 32.732 0.000 . 1 . . . . . 52 GLU CG . 52365 1 643 . 1 . 1 52 52 GLU N N 15 122.210 0.033 . 1 . . . . . 52 GLU N . 52365 1 644 . 1 . 1 53 53 ASP H H 1 8.440 0.011 . 1 . . . . . 53 ASP HN . 52365 1 645 . 1 . 1 53 53 ASP HA H 1 4.116 0.002 . 1 . . . . . 53 ASP HA . 52365 1 646 . 1 . 1 53 53 ASP HB2 H 1 2.722 0.018 . 2 . . . . . 53 ASP HB2 . 52365 1 647 . 1 . 1 53 53 ASP HB3 H 1 2.813 0.004 . 2 . . . . . 53 ASP HB3 . 52365 1 648 . 1 . 1 53 53 ASP C C 13 175.762 0.006 . 1 . . . . . 53 ASP C . 52365 1 649 . 1 . 1 53 53 ASP CA C 13 55.727 0.009 . 1 . . . . . 53 ASP CA . 52365 1 650 . 1 . 1 53 53 ASP CB C 13 38.337 0.011 . 1 . . . . . 53 ASP CB . 52365 1 651 . 1 . 1 53 53 ASP N N 15 119.491 0.020 . 1 . . . . . 53 ASP N . 52365 1 652 . 1 . 1 54 54 GLY H H 1 8.544 0.007 . 1 . . . . . 54 GLY HN . 52365 1 653 . 1 . 1 54 54 GLY HA2 H 1 3.731 0.007 . 2 . . . . . 54 GLY HA1 . 52365 1 654 . 1 . 1 54 54 GLY HA3 H 1 4.114 0.011 . 2 . . . . . 54 GLY HA2 . 52365 1 655 . 1 . 1 54 54 GLY C C 13 174.686 0.004 . 1 . . . . . 54 GLY C . 52365 1 656 . 1 . 1 54 54 GLY CA C 13 45.115 0.025 . 1 . . . . . 54 GLY CA . 52365 1 657 . 1 . 1 54 54 GLY N N 15 104.353 0.023 . 1 . . . . . 54 GLY N . 52365 1 658 . 1 . 1 55 55 ARG H H 1 7.334 0.007 . 1 . . . . . 55 ARG HN . 52365 1 659 . 1 . 1 55 55 ARG HA H 1 4.426 0.007 . 1 . . . . . 55 ARG HA . 52365 1 660 . 1 . 1 55 55 ARG HB2 H 1 1.802 0.003 . 2 . . . . . 55 ARG HB2 . 52365 1 661 . 1 . 1 55 55 ARG HB3 H 1 2.060 0.005 . 2 . . . . . 55 ARG HB3 . 52365 1 662 . 1 . 1 55 55 ARG HG2 H 1 1.495 0.005 . 2 . . . . . 55 ARG HG2 . 52365 1 663 . 1 . 1 55 55 ARG HG3 H 1 1.719 0.012 . 2 . . . . . 55 ARG HG3 . 52365 1 664 . 1 . 1 55 55 ARG HD2 H 1 2.943 0.002 . 2 . . . . . 55 ARG HD2 . 52365 1 665 . 1 . 1 55 55 ARG HD3 H 1 3.011 0.006 . 2 . . . . . 55 ARG HD3 . 52365 1 666 . 1 . 1 55 55 ARG C C 13 174.767 0.018 . 1 . . . . . 55 ARG C . 52365 1 667 . 1 . 1 55 55 ARG CA C 13 54.309 0.026 . 1 . . . . . 55 ARG CA . 52365 1 668 . 1 . 1 55 55 ARG CB C 13 32.133 0.039 . 1 . . . . . 55 ARG CB . 52365 1 669 . 1 . 1 55 55 ARG CG C 13 27.480 0.000 . 1 . . . . . 55 ARG CG . 52365 1 670 . 1 . 1 55 55 ARG CD C 13 42.347 0.000 . 1 . . . . . 55 ARG CD . 52365 1 671 . 1 . 1 55 55 ARG N N 15 118.747 0.026 . 1 . . . . . 55 ARG N . 52365 1 672 . 1 . 1 56 56 THR H H 1 7.471 0.007 . 1 . . . . . 56 THR HN . 52365 1 673 . 1 . 1 56 56 THR HA H 1 5.021 0.005 . 1 . . . . . 56 THR HA . 52365 1 674 . 1 . 1 56 56 THR HB H 1 4.426 0.006 . 1 . . . . . 56 THR HB . 52365 1 675 . 1 . 1 56 56 THR HG21 H 1 0.991 0.003 . 1 . . . . . 56 THR QG2 . 52365 1 676 . 1 . 1 56 56 THR HG22 H 1 0.991 0.003 . 1 . . . . . 56 THR QG2 . 52365 1 677 . 1 . 1 56 56 THR HG23 H 1 0.991 0.003 . 1 . . . . . 56 THR QG2 . 52365 1 678 . 1 . 1 56 56 THR C C 13 175.847 0.022 . 1 . . . . . 56 THR C . 52365 1 679 . 1 . 1 56 56 THR CA C 13 59.417 0.010 . 1 . . . . . 56 THR CA . 52365 1 680 . 1 . 1 56 56 THR CB C 13 71.800 0.006 . 1 . . . . . 56 THR CB . 52365 1 681 . 1 . 1 56 56 THR CG2 C 13 21.855 0.000 . 1 . . . . . 56 THR CG2 . 52365 1 682 . 1 . 1 56 56 THR N N 15 106.894 0.035 . 1 . . . . . 56 THR N . 52365 1 683 . 1 . 1 57 57 LEU H H 1 7.948 0.003 . 1 . . . . . 57 LEU HN . 52365 1 684 . 1 . 1 57 57 LEU HA H 1 3.899 0.002 . 1 . . . . . 57 LEU HA . 52365 1 685 . 1 . 1 57 57 LEU HB2 H 1 1.940 0.007 . 2 . . . . . 57 LEU HB2 . 52365 1 686 . 1 . 1 57 57 LEU HB3 H 1 1.552 0.001 . 2 . . . . . 57 LEU HB3 . 52365 1 687 . 1 . 1 57 57 LEU HG H 1 1.062 0.023 . 1 . . . . . 57 LEU HG . 52365 1 688 . 1 . 1 57 57 LEU HD11 H 1 0.480 0.024 . 2 . . . . . 57 LEU QD1 . 52365 1 689 . 1 . 1 57 57 LEU HD12 H 1 0.480 0.024 . 2 . . . . . 57 LEU QD1 . 52365 1 690 . 1 . 1 57 57 LEU HD13 H 1 0.480 0.024 . 2 . . . . . 57 LEU QD1 . 52365 1 691 . 1 . 1 57 57 LEU HD21 H 1 0.599 0.006 . 2 . . . . . 57 LEU QD2 . 52365 1 692 . 1 . 1 57 57 LEU HD22 H 1 0.599 0.006 . 2 . . . . . 57 LEU QD2 . 52365 1 693 . 1 . 1 57 57 LEU HD23 H 1 0.599 0.006 . 2 . . . . . 57 LEU QD2 . 52365 1 694 . 1 . 1 57 57 LEU C C 13 180.159 0.010 . 1 . . . . . 57 LEU C . 52365 1 695 . 1 . 1 57 57 LEU CA C 13 58.443 0.039 . 1 . . . . . 57 LEU CA . 52365 1 696 . 1 . 1 57 57 LEU CB C 13 40.114 0.009 . 1 . . . . . 57 LEU CB . 52365 1 697 . 1 . 1 57 57 LEU CG C 13 26.577 0.000 . 1 . . . . . 57 LEU CG . 52365 1 698 . 1 . 1 57 57 LEU CD1 C 13 23.040 0.000 . 2 . . . . . 57 LEU CD1 . 52365 1 699 . 1 . 1 57 57 LEU CD2 C 13 23.040 0.000 . 2 . . . . . 57 LEU CD2 . 52365 1 700 . 1 . 1 57 57 LEU N N 15 117.885 0.037 . 1 . . . . . 57 LEU N . 52365 1 701 . 1 . 1 58 58 ALA H H 1 8.145 0.006 . 1 . . . . . 58 ALA HN . 52365 1 702 . 1 . 1 58 58 ALA HA H 1 4.059 0.005 . 1 . . . . . 58 ALA HA . 52365 1 703 . 1 . 1 58 58 ALA HB1 H 1 1.150 0.006 . 1 . . . . . 58 ALA HB# . 52365 1 704 . 1 . 1 58 58 ALA HB2 H 1 1.150 0.006 . 1 . . . . . 58 ALA HB# . 52365 1 705 . 1 . 1 58 58 ALA HB3 H 1 1.150 0.006 . 1 . . . . . 58 ALA HB# . 52365 1 706 . 1 . 1 58 58 ALA C C 13 181.154 0.010 . 1 . . . . . 58 ALA C . 52365 1 707 . 1 . 1 58 58 ALA CA C 13 54.547 0.016 . 1 . . . . . 58 ALA CA . 52365 1 708 . 1 . 1 58 58 ALA CB C 13 17.779 0.029 . 1 . . . . . 58 ALA CB . 52365 1 709 . 1 . 1 58 58 ALA N N 15 120.911 0.029 . 1 . . . . . 58 ALA N . 52365 1 710 . 1 . 1 59 59 ASP H H 1 7.848 0.006 . 1 . . . . . 59 ASP HN . 52365 1 711 . 1 . 1 59 59 ASP HA H 1 4.154 0.008 . 1 . . . . . 59 ASP HA . 52365 1 712 . 1 . 1 59 59 ASP HB2 H 1 3.024 0.007 . 2 . . . . . 59 ASP HB2 . 52365 1 713 . 1 . 1 59 59 ASP HB3 H 1 2.400 0.003 . 2 . . . . . 59 ASP HB3 . 52365 1 714 . 1 . 1 59 59 ASP C C 13 176.075 0.000 . 1 . . . . . 59 ASP C . 52365 1 715 . 1 . 1 59 59 ASP CA C 13 55.221 0.007 . 1 . . . . . 59 ASP CA . 52365 1 716 . 1 . 1 59 59 ASP CB C 13 36.865 0.042 . 1 . . . . . 59 ASP CB . 52365 1 717 . 1 . 1 59 59 ASP N N 15 118.759 0.030 . 1 . . . . . 59 ASP N . 52365 1 718 . 1 . 1 60 60 TYR H H 1 7.166 0.005 . 1 . . . . . 60 TYR HN . 52365 1 719 . 1 . 1 60 60 TYR HA H 1 4.533 0.005 . 1 . . . . . 60 TYR HA . 52365 1 720 . 1 . 1 60 60 TYR HB2 H 1 3.313 0.012 . 2 . . . . . 60 TYR HB2 . 52365 1 721 . 1 . 1 60 60 TYR HB3 H 1 2.368 0.007 . 2 . . . . . 60 TYR HB3 . 52365 1 722 . 1 . 1 60 60 TYR C C 13 174.121 0.009 . 1 . . . . . 60 TYR C . 52365 1 723 . 1 . 1 60 60 TYR CA C 13 58.245 0.013 . 1 . . . . . 60 TYR CA . 52365 1 724 . 1 . 1 60 60 TYR CB C 13 39.745 0.038 . 1 . . . . . 60 TYR CB . 52365 1 725 . 1 . 1 60 60 TYR N N 15 116.068 0.017 . 1 . . . . . 60 TYR N . 52365 1 726 . 1 . 1 61 61 ASN H H 1 8.049 0.004 . 1 . . . . . 61 ASN HN . 52365 1 727 . 1 . 1 61 61 ASN HA H 1 4.171 0.004 . 1 . . . . . 61 ASN HA . 52365 1 728 . 1 . 1 61 61 ASN HB2 H 1 2.617 0.002 . 2 . . . . . 61 ASN HB2 . 52365 1 729 . 1 . 1 61 61 ASN HB3 H 1 3.150 0.001 . 2 . . . . . 61 ASN HB3 . 52365 1 730 . 1 . 1 61 61 ASN HD21 H 1 7.410 0.002 . 2 . . . . . 61 ASN HD21 . 52365 1 731 . 1 . 1 61 61 ASN HD22 H 1 6.699 0.001 . 2 . . . . . 61 ASN HD22 . 52365 1 732 . 1 . 1 61 61 ASN C C 13 174.026 0.000 . 1 . . . . . 61 ASN C . 52365 1 733 . 1 . 1 61 61 ASN CA C 13 53.909 0.019 . 1 . . . . . 61 ASN CA . 52365 1 734 . 1 . 1 61 61 ASN CB C 13 37.144 0.019 . 1 . . . . . 61 ASN CB . 52365 1 735 . 1 . 1 61 61 ASN CG C 13 178.105 0.004 . 1 . . . . . 61 ASN CG . 52365 1 736 . 1 . 1 61 61 ASN N N 15 116.194 0.029 . 1 . . . . . 61 ASN N . 52365 1 737 . 1 . 1 61 61 ASN ND2 N 15 111.326 0.000 . 1 . . . . . 61 ASN ND2 . 52365 1 738 . 1 . 1 62 62 ILE H H 1 7.053 0.005 . 1 . . . . . 62 ILE HN . 52365 1 739 . 1 . 1 62 62 ILE HA H 1 3.244 0.003 . 1 . . . . . 62 ILE HA . 52365 1 740 . 1 . 1 62 62 ILE HB H 1 1.213 0.004 . 1 . . . . . 62 ILE HB . 52365 1 741 . 1 . 1 62 62 ILE HG12 H 1 0.980 0.004 . 2 . . . . . 62 ILE HG12 . 52365 1 742 . 1 . 1 62 62 ILE HG13 H 1 -0.362 0.000 . 2 . . . . . 62 ILE HG13 . 52365 1 743 . 1 . 1 62 62 ILE HG21 H 1 0.318 0.016 . 1 . . . . . 62 ILE QG2 . 52365 1 744 . 1 . 1 62 62 ILE HG22 H 1 0.318 0.016 . 1 . . . . . 62 ILE QG2 . 52365 1 745 . 1 . 1 62 62 ILE HG23 H 1 0.318 0.016 . 1 . . . . . 62 ILE QG2 . 52365 1 746 . 1 . 1 62 62 ILE HD11 H 1 0.244 0.000 . 1 . . . . . 62 ILE QD1 . 52365 1 747 . 1 . 1 62 62 ILE HD12 H 1 0.244 0.000 . 1 . . . . . 62 ILE QD1 . 52365 1 748 . 1 . 1 62 62 ILE HD13 H 1 0.244 0.000 . 1 . . . . . 62 ILE QD1 . 52365 1 749 . 1 . 1 62 62 ILE C C 13 174.444 0.003 . 1 . . . . . 62 ILE C . 52365 1 750 . 1 . 1 62 62 ILE CA C 13 62.189 0.024 . 1 . . . . . 62 ILE CA . 52365 1 751 . 1 . 1 62 62 ILE CB C 13 36.510 0.043 . 1 . . . . . 62 ILE CB . 52365 1 752 . 1 . 1 62 62 ILE CG1 C 13 27.949 0.000 . 1 . . . . . 62 ILE CG1 . 52365 1 753 . 1 . 1 62 62 ILE CG2 C 13 16.944 0.000 . 1 . . . . . 62 ILE CG2 . 52365 1 754 . 1 . 1 62 62 ILE CD1 C 13 13.717 0.000 . 1 . . . . . 62 ILE CD1 . 52365 1 755 . 1 . 1 62 62 ILE N N 15 118.534 0.022 . 1 . . . . . 62 ILE N . 52365 1 756 . 1 . 1 63 63 GLN H H 1 7.616 0.009 . 1 . . . . . 63 GLN HN . 52365 1 757 . 1 . 1 63 63 GLN HA H 1 4.383 0.003 . 1 . . . . . 63 GLN HA . 52365 1 758 . 1 . 1 63 63 GLN HB2 H 1 2.135 0.011 . 2 . . . . . 63 GLN HB2 . 52365 1 759 . 1 . 1 63 63 GLN HB3 H 1 1.733 0.003 . 2 . . . . . 63 GLN HB3 . 52365 1 760 . 1 . 1 63 63 GLN HG2 H 1 2.194 0.011 . 2 . . . . . 63 GLN QG . 52365 1 761 . 1 . 1 63 63 GLN HG3 H 1 2.194 0.011 . 2 . . . . . 63 GLN QG . 52365 1 762 . 1 . 1 63 63 GLN HE21 H 1 7.135 0.002 . 2 . . . . . 63 GLN HE21 . 52365 1 763 . 1 . 1 63 63 GLN HE22 H 1 6.707 0.001 . 2 . . . . . 63 GLN HE22 . 52365 1 764 . 1 . 1 63 63 GLN C C 13 175.818 0.000 . 1 . . . . . 63 GLN C . 52365 1 765 . 1 . 1 63 63 GLN CA C 13 53.557 0.021 . 1 . . . . . 63 GLN CA . 52365 1 766 . 1 . 1 63 63 GLN CB C 13 31.494 0.033 . 1 . . . . . 63 GLN CB . 52365 1 767 . 1 . 1 63 63 GLN CG C 13 33.190 0.000 . 1 . . . . . 63 GLN CG . 52365 1 768 . 1 . 1 63 63 GLN CD C 13 180.275 0.010 . 1 . . . . . 63 GLN CD . 52365 1 769 . 1 . 1 63 63 GLN N N 15 125.107 0.029 . 1 . . . . . 63 GLN N . 52365 1 770 . 1 . 1 63 63 GLN NE2 N 15 112.218 0.010 . 1 . . . . . 63 GLN NE2 . 52365 1 771 . 1 . 1 64 64 LYS H H 1 8.372 0.009 . 1 . . . . . 64 LYS HN . 52365 1 772 . 1 . 1 64 64 LYS HA H 1 3.876 0.007 . 1 . . . . . 64 LYS HA . 52365 1 773 . 1 . 1 64 64 LYS HB2 H 1 1.764 0.010 . 2 . . . . . 64 LYS HB2 . 52365 1 774 . 1 . 1 64 64 LYS HB3 H 1 1.909 0.015 . 2 . . . . . 64 LYS HB3 . 52365 1 775 . 1 . 1 64 64 LYS HG2 H 1 1.354 0.000 . 2 . . . . . 64 LYS HG2 . 52365 1 776 . 1 . 1 64 64 LYS HG3 H 1 1.433 0.009 . 2 . . . . . 64 LYS HG3 . 52365 1 777 . 1 . 1 64 64 LYS HD2 H 1 1.638 0.000 . 2 . . . . . 64 LYS QD . 52365 1 778 . 1 . 1 64 64 LYS HD3 H 1 1.638 0.000 . 2 . . . . . 64 LYS QD . 52365 1 779 . 1 . 1 64 64 LYS HE2 H 1 2.923 0.000 . 2 . . . . . 64 LYS QE . 52365 1 780 . 1 . 1 64 64 LYS HE3 H 1 2.923 0.000 . 2 . . . . . 64 LYS QE . 52365 1 781 . 1 . 1 64 64 LYS C C 13 175.877 0.001 . 1 . . . . . 64 LYS C . 52365 1 782 . 1 . 1 64 64 LYS CA C 13 57.743 0.012 . 1 . . . . . 64 LYS CA . 52365 1 783 . 1 . 1 64 64 LYS CB C 13 32.478 0.017 . 1 . . . . . 64 LYS CB . 52365 1 784 . 1 . 1 64 64 LYS CG C 13 24.005 0.000 . 1 . . . . . 64 LYS CG . 52365 1 785 . 1 . 1 64 64 LYS CD C 13 29.780 0.000 . 1 . . . . . 64 LYS CD . 52365 1 786 . 1 . 1 64 64 LYS CE C 13 42.016 0.000 . 1 . . . . . 64 LYS CE . 52365 1 787 . 1 . 1 64 64 LYS N N 15 119.992 0.023 . 1 . . . . . 64 LYS N . 52365 1 788 . 1 . 1 65 65 GLU H H 1 9.166 0.009 . 1 . . . . . 65 GLU HN . 52365 1 789 . 1 . 1 65 65 GLU HA H 1 3.527 0.009 . 1 . . . . . 65 GLU HA . 52365 1 790 . 1 . 1 65 65 GLU HB2 H 1 2.124 0.010 . 2 . . . . . 65 GLU HB2 . 52365 1 791 . 1 . 1 65 65 GLU HB3 H 1 2.476 0.007 . 2 . . . . . 65 GLU HB3 . 52365 1 792 . 1 . 1 65 65 GLU HG2 H 1 2.390 0.003 . 2 . . . . . 65 GLU QG . 52365 1 793 . 1 . 1 65 65 GLU HG3 H 1 2.390 0.003 . 2 . . . . . 65 GLU QG . 52365 1 794 . 1 . 1 65 65 GLU C C 13 174.872 0.005 . 1 . . . . . 65 GLU C . 52365 1 795 . 1 . 1 65 65 GLU CA C 13 56.876 0.014 . 1 . . . . . 65 GLU CA . 52365 1 796 . 1 . 1 65 65 GLU CB C 13 25.235 0.061 . 1 . . . . . 65 GLU CB . 52365 1 797 . 1 . 1 65 65 GLU CG C 13 33.428 0.000 . 1 . . . . . 65 GLU CG . 52365 1 798 . 1 . 1 65 65 GLU N N 15 113.237 0.031 . 1 . . . . . 65 GLU N . 52365 1 799 . 1 . 1 66 66 SER H H 1 7.617 0.004 . 1 . . . . . 66 SER HN . 52365 1 800 . 1 . 1 66 66 SER HA H 1 4.491 0.004 . 1 . . . . . 66 SER HA . 52365 1 801 . 1 . 1 66 66 SER HB2 H 1 3.727 0.005 . 2 . . . . . 66 SER HB2 . 52365 1 802 . 1 . 1 66 66 SER HB3 H 1 3.513 0.004 . 2 . . . . . 66 SER HB3 . 52365 1 803 . 1 . 1 66 66 SER C C 13 171.896 0.015 . 1 . . . . . 66 SER C . 52365 1 804 . 1 . 1 66 66 SER CA C 13 60.881 0.008 . 1 . . . . . 66 SER CA . 52365 1 805 . 1 . 1 66 66 SER CB C 13 64.763 0.015 . 1 . . . . . 66 SER CB . 52365 1 806 . 1 . 1 66 66 SER N N 15 115.175 0.020 . 1 . . . . . 66 SER N . 52365 1 807 . 1 . 1 67 67 THR H H 1 8.675 0.007 . 1 . . . . . 67 THR HN . 52365 1 808 . 1 . 1 67 67 THR HA H 1 5.039 0.005 . 1 . . . . . 67 THR HA . 52365 1 809 . 1 . 1 67 67 THR HB H 1 3.933 0.004 . 1 . . . . . 67 THR HB . 52365 1 810 . 1 . 1 67 67 THR HG21 H 1 0.744 0.006 . 1 . . . . . 67 THR QG2 . 52365 1 811 . 1 . 1 67 67 THR HG22 H 1 0.744 0.006 . 1 . . . . . 67 THR QG2 . 52365 1 812 . 1 . 1 67 67 THR HG23 H 1 0.744 0.006 . 1 . . . . . 67 THR QG2 . 52365 1 813 . 1 . 1 67 67 THR C C 13 173.657 0.001 . 1 . . . . . 67 THR C . 52365 1 814 . 1 . 1 67 67 THR CA C 13 62.223 0.011 . 1 . . . . . 67 THR CA . 52365 1 815 . 1 . 1 67 67 THR CB C 13 69.839 0.029 . 1 . . . . . 67 THR CB . 52365 1 816 . 1 . 1 67 67 THR CG2 C 13 21.387 0.000 . 1 . . . . . 67 THR CG2 . 52365 1 817 . 1 . 1 67 67 THR N N 15 117.502 0.024 . 1 . . . . . 67 THR N . 52365 1 818 . 1 . 1 68 68 LEU H H 1 9.267 0.005 . 1 . . . . . 68 LEU HN . 52365 1 819 . 1 . 1 68 68 LEU HA H 1 4.855 0.011 . 1 . . . . . 68 LEU HA . 52365 1 820 . 1 . 1 68 68 LEU HB2 H 1 1.532 0.005 . 2 . . . . . 68 LEU HB2 . 52365 1 821 . 1 . 1 68 68 LEU HB3 H 1 1.579 0.008 . 2 . . . . . 68 LEU HB3 . 52365 1 822 . 1 . 1 68 68 LEU HG H 1 1.411 0.001 . 1 . . . . . 68 LEU HG . 52365 1 823 . 1 . 1 68 68 LEU HD11 H 1 0.530 0.006 . 2 . . . . . 68 LEU QD1 . 52365 1 824 . 1 . 1 68 68 LEU HD12 H 1 0.530 0.006 . 2 . . . . . 68 LEU QD1 . 52365 1 825 . 1 . 1 68 68 LEU HD13 H 1 0.530 0.006 . 2 . . . . . 68 LEU QD1 . 52365 1 826 . 1 . 1 68 68 LEU C C 13 175.580 0.015 . 1 . . . . . 68 LEU C . 52365 1 827 . 1 . 1 68 68 LEU CA C 13 53.629 0.011 . 1 . . . . . 68 LEU CA . 52365 1 828 . 1 . 1 68 68 LEU CB C 13 43.635 0.023 . 1 . . . . . 68 LEU CB . 52365 1 829 . 1 . 1 68 68 LEU CG C 13 29.104 0.000 . 1 . . . . . 68 LEU CG . 52365 1 830 . 1 . 1 68 68 LEU CD1 C 13 24.649 0.000 . 2 . . . . . 68 LEU CD1 . 52365 1 831 . 1 . 1 68 68 LEU CD2 C 13 24.649 0.000 . 2 . . . . . 68 LEU CD2 . 52365 1 832 . 1 . 1 68 68 LEU N N 15 126.792 0.032 . 1 . . . . . 68 LEU N . 52365 1 833 . 1 . 1 69 69 HIS H H 1 9.110 0.004 . 1 . . . . . 69 HIS HN . 52365 1 834 . 1 . 1 69 69 HIS HA H 1 5.075 0.011 . 1 . . . . . 69 HIS HA . 52365 1 835 . 1 . 1 69 69 HIS HB2 H 1 2.906 0.005 . 2 . . . . . 69 HIS HB2 . 52365 1 836 . 1 . 1 69 69 HIS HB3 H 1 3.067 0.008 . 2 . . . . . 69 HIS HB3 . 52365 1 837 . 1 . 1 69 69 HIS C C 13 172.628 0.011 . 1 . . . . . 69 HIS C . 52365 1 838 . 1 . 1 69 69 HIS CA C 13 54.589 0.028 . 1 . . . . . 69 HIS CA . 52365 1 839 . 1 . 1 69 69 HIS CB C 13 29.714 0.014 . 1 . . . . . 69 HIS CB . 52365 1 840 . 1 . 1 69 69 HIS N N 15 118.716 0.032 . 1 . . . . . 69 HIS N . 52365 1 841 . 1 . 1 70 70 LEU H H 1 8.309 0.005 . 1 . . . . . 70 LEU HN . 52365 1 842 . 1 . 1 70 70 LEU HA H 1 5.024 0.005 . 1 . . . . . 70 LEU HA . 52365 1 843 . 1 . 1 70 70 LEU HB2 H 1 1.439 0.005 . 2 . . . . . 70 LEU HB2 . 52365 1 844 . 1 . 1 70 70 LEU HB3 H 1 1.171 0.000 . 2 . . . . . 70 LEU HB3 . 52365 1 845 . 1 . 1 70 70 LEU HG H 1 0.929 0.004 . 1 . . . . . 70 LEU HG . 52365 1 846 . 1 . 1 70 70 LEU HD11 H 1 0.571 0.002 . 2 . . . . . 70 LEU QD1 . 52365 1 847 . 1 . 1 70 70 LEU HD12 H 1 0.571 0.002 . 2 . . . . . 70 LEU QD1 . 52365 1 848 . 1 . 1 70 70 LEU HD13 H 1 0.571 0.002 . 2 . . . . . 70 LEU QD1 . 52365 1 849 . 1 . 1 70 70 LEU HD21 H 1 0.689 0.009 . 2 . . . . . 70 LEU QD2 . 52365 1 850 . 1 . 1 70 70 LEU HD22 H 1 0.689 0.009 . 2 . . . . . 70 LEU QD2 . 52365 1 851 . 1 . 1 70 70 LEU HD23 H 1 0.689 0.009 . 2 . . . . . 70 LEU QD2 . 52365 1 852 . 1 . 1 70 70 LEU C C 13 174.745 0.006 . 1 . . . . . 70 LEU C . 52365 1 853 . 1 . 1 70 70 LEU CA C 13 53.647 0.031 . 1 . . . . . 70 LEU CA . 52365 1 854 . 1 . 1 70 70 LEU CB C 13 43.880 0.031 . 1 . . . . . 70 LEU CB . 52365 1 855 . 1 . 1 70 70 LEU CG C 13 27.146 0.000 . 1 . . . . . 70 LEU CG . 52365 1 856 . 1 . 1 70 70 LEU CD1 C 13 23.572 0.000 . 2 . . . . . 70 LEU CD1 . 52365 1 857 . 1 . 1 70 70 LEU CD2 C 13 25.650 0.000 . 2 . . . . . 70 LEU CD2 . 52365 1 858 . 1 . 1 70 70 LEU N N 15 125.172 0.042 . 1 . . . . . 70 LEU N . 52365 1 859 . 1 . 1 71 71 VAL H H 1 9.125 0.008 . 1 . . . . . 71 VAL HN . 52365 1 860 . 1 . 1 71 71 VAL HA H 1 4.159 0.006 . 1 . . . . . 71 VAL HA . 52365 1 861 . 1 . 1 71 71 VAL HB H 1 1.824 0.003 . 1 . . . . . 71 VAL HB . 52365 1 862 . 1 . 1 71 71 VAL HG11 H 1 0.782 0.004 . 2 . . . . . 71 VAL QG1 . 52365 1 863 . 1 . 1 71 71 VAL HG12 H 1 0.782 0.004 . 2 . . . . . 71 VAL QG1 . 52365 1 864 . 1 . 1 71 71 VAL HG13 H 1 0.782 0.004 . 2 . . . . . 71 VAL QG1 . 52365 1 865 . 1 . 1 71 71 VAL HG21 H 1 0.714 0.017 . 2 . . . . . 71 VAL QG2 . 52365 1 866 . 1 . 1 71 71 VAL HG22 H 1 0.714 0.017 . 2 . . . . . 71 VAL QG2 . 52365 1 867 . 1 . 1 71 71 VAL HG23 H 1 0.714 0.017 . 2 . . . . . 71 VAL QG2 . 52365 1 868 . 1 . 1 71 71 VAL C C 13 173.866 0.014 . 1 . . . . . 71 VAL C . 52365 1 869 . 1 . 1 71 71 VAL CA C 13 61.000 0.018 . 1 . . . . . 71 VAL CA . 52365 1 870 . 1 . 1 71 71 VAL CB C 13 34.466 0.047 . 1 . . . . . 71 VAL CB . 52365 1 871 . 1 . 1 71 71 VAL CG1 C 13 20.902 0.000 . 2 . . . . . 71 VAL CG1 . 52365 1 872 . 1 . 1 71 71 VAL CG2 C 13 20.902 0.000 . 2 . . . . . 71 VAL CG2 . 52365 1 873 . 1 . 1 71 71 VAL N N 15 128.187 0.036 . 1 . . . . . 71 VAL N . 52365 1 874 . 1 . 1 72 72 LEU H H 1 8.223 0.009 . 1 . . . . . 72 LEU HN . 52365 1 875 . 1 . 1 72 72 LEU HA H 1 4.877 0.003 . 1 . . . . . 72 LEU HA . 52365 1 876 . 1 . 1 72 72 LEU HB2 H 1 1.353 0.005 . 2 . . . . . 72 LEU HB2 . 52365 1 877 . 1 . 1 72 72 LEU HB3 H 1 1.560 0.005 . 2 . . . . . 72 LEU HB3 . 52365 1 878 . 1 . 1 72 72 LEU HG H 1 1.517 0.000 . 1 . . . . . 72 LEU HG . 52365 1 879 . 1 . 1 72 72 LEU HD11 H 1 0.715 0.002 . 2 . . . . . 72 LEU QD1 . 52365 1 880 . 1 . 1 72 72 LEU HD12 H 1 0.715 0.002 . 2 . . . . . 72 LEU QD1 . 52365 1 881 . 1 . 1 72 72 LEU HD13 H 1 0.715 0.002 . 2 . . . . . 72 LEU QD1 . 52365 1 882 . 1 . 1 72 72 LEU HD21 H 1 0.808 0.006 . 2 . . . . . 72 LEU QD2 . 52365 1 883 . 1 . 1 72 72 LEU HD22 H 1 0.808 0.006 . 2 . . . . . 72 LEU QD2 . 52365 1 884 . 1 . 1 72 72 LEU HD23 H 1 0.808 0.006 . 2 . . . . . 72 LEU QD2 . 52365 1 885 . 1 . 1 72 72 LEU C C 13 177.411 0.013 . 1 . . . . . 72 LEU C . 52365 1 886 . 1 . 1 72 72 LEU CA C 13 53.623 0.032 . 1 . . . . . 72 LEU CA . 52365 1 887 . 1 . 1 72 72 LEU CB C 13 42.672 0.046 . 1 . . . . . 72 LEU CB . 52365 1 888 . 1 . 1 72 72 LEU CG C 13 27.475 0.000 . 1 . . . . . 72 LEU CG . 52365 1 889 . 1 . 1 72 72 LEU CD1 C 13 24.763 0.000 . 2 . . . . . 72 LEU CD1 . 52365 1 890 . 1 . 1 72 72 LEU CD2 C 13 23.944 0.000 . 2 . . . . . 72 LEU CD2 . 52365 1 891 . 1 . 1 72 72 LEU N N 15 124.557 0.040 . 1 . . . . . 72 LEU N . 52365 1 892 . 1 . 1 73 73 ARG H H 1 8.468 0.006 . 1 . . . . . 73 ARG HN . 52365 1 893 . 1 . 1 73 73 ARG HA H 1 4.206 0.003 . 1 . . . . . 73 ARG HA . 52365 1 894 . 1 . 1 73 73 ARG HB2 H 1 1.647 0.014 . 2 . . . . . 73 ARG HB2 . 52365 1 895 . 1 . 1 73 73 ARG HB3 H 1 1.446 0.000 . 2 . . . . . 73 ARG HB3 . 52365 1 896 . 1 . 1 73 73 ARG HG2 H 1 1.400 0.014 . 2 . . . . . 73 ARG HG2 . 52365 1 897 . 1 . 1 73 73 ARG HG3 H 1 1.403 0.012 . 2 . . . . . 73 ARG HG3 . 52365 1 898 . 1 . 1 73 73 ARG HD2 H 1 3.031 0.001 . 2 . . . . . 73 ARG QD . 52365 1 899 . 1 . 1 73 73 ARG HD3 H 1 3.031 0.001 . 2 . . . . . 73 ARG QD . 52365 1 900 . 1 . 1 73 73 ARG C C 13 175.162 0.004 . 1 . . . . . 73 ARG C . 52365 1 901 . 1 . 1 73 73 ARG CA C 13 55.319 0.026 . 1 . . . . . 73 ARG CA . 52365 1 902 . 1 . 1 73 73 ARG CB C 13 30.856 0.019 . 1 . . . . . 73 ARG CB . 52365 1 903 . 1 . 1 73 73 ARG CG C 13 27.010 0.000 . 1 . . . . . 73 ARG CG . 52365 1 904 . 1 . 1 73 73 ARG CD C 13 43.211 0.000 . 1 . . . . . 73 ARG CD . 52365 1 905 . 1 . 1 73 73 ARG N N 15 123.365 0.030 . 1 . . . . . 73 ARG N . 52365 1 906 . 1 . 1 74 74 LEU H H 1 8.238 0.010 . 1 . . . . . 74 LEU HN . 52365 1 907 . 1 . 1 74 74 LEU HA H 1 4.215 0.007 . 1 . . . . . 74 LEU HA . 52365 1 908 . 1 . 1 74 74 LEU HB2 H 1 1.469 0.009 . 2 . . . . . 74 LEU QB . 52365 1 909 . 1 . 1 74 74 LEU HB3 H 1 1.469 0.009 . 2 . . . . . 74 LEU QB . 52365 1 910 . 1 . 1 74 74 LEU HG H 1 1.434 0.000 . 1 . . . . . 74 LEU HG . 52365 1 911 . 1 . 1 74 74 LEU HD11 H 1 0.738 0.007 . 2 . . . . . 74 LEU QD1 . 52365 1 912 . 1 . 1 74 74 LEU HD12 H 1 0.738 0.007 . 2 . . . . . 74 LEU QD1 . 52365 1 913 . 1 . 1 74 74 LEU HD13 H 1 0.738 0.007 . 2 . . . . . 74 LEU QD1 . 52365 1 914 . 1 . 1 74 74 LEU HD21 H 1 0.776 0.003 . 2 . . . . . 74 LEU QD2 . 52365 1 915 . 1 . 1 74 74 LEU HD22 H 1 0.776 0.003 . 2 . . . . . 74 LEU QD2 . 52365 1 916 . 1 . 1 74 74 LEU HD23 H 1 0.776 0.003 . 2 . . . . . 74 LEU QD2 . 52365 1 917 . 1 . 1 74 74 LEU C C 13 177.194 0.005 . 1 . . . . . 74 LEU C . 52365 1 918 . 1 . 1 74 74 LEU CA C 13 54.917 0.039 . 1 . . . . . 74 LEU CA . 52365 1 919 . 1 . 1 74 74 LEU CB C 13 42.314 0.030 . 1 . . . . . 74 LEU CB . 52365 1 920 . 1 . 1 74 74 LEU CG C 13 26.830 0.000 . 1 . . . . . 74 LEU CG . 52365 1 921 . 1 . 1 74 74 LEU CD1 C 13 24.558 0.000 . 2 . . . . . 74 LEU CD1 . 52365 1 922 . 1 . 1 74 74 LEU CD2 C 13 23.134 0.000 . 2 . . . . . 74 LEU CD2 . 52365 1 923 . 1 . 1 74 74 LEU N N 15 124.384 0.020 . 1 . . . . . 74 LEU N . 52365 1 924 . 1 . 1 75 75 ARG H H 1 8.268 0.011 . 1 . . . . . 75 ARG HN . 52365 1 925 . 1 . 1 75 75 ARG HA H 1 4.178 0.005 . 1 . . . . . 75 ARG HA . 52365 1 926 . 1 . 1 75 75 ARG HB2 H 1 1.653 0.004 . 2 . . . . . 75 ARG HB2 . 52365 1 927 . 1 . 1 75 75 ARG HB3 H 1 1.730 0.000 . 2 . . . . . 75 ARG HB3 . 52365 1 928 . 1 . 1 75 75 ARG HG2 H 1 1.489 0.007 . 2 . . . . . 75 ARG QG . 52365 1 929 . 1 . 1 75 75 ARG HG3 H 1 1.489 0.007 . 2 . . . . . 75 ARG QG . 52365 1 930 . 1 . 1 75 75 ARG HD2 H 1 3.053 0.005 . 2 . . . . . 75 ARG QD . 52365 1 931 . 1 . 1 75 75 ARG HD3 H 1 3.053 0.005 . 2 . . . . . 75 ARG QD . 52365 1 932 . 1 . 1 75 75 ARG C C 13 176.441 0.009 . 1 . . . . . 75 ARG C . 52365 1 933 . 1 . 1 75 75 ARG CA C 13 56.153 0.010 . 1 . . . . . 75 ARG CA . 52365 1 934 . 1 . 1 75 75 ARG CB C 13 30.615 0.010 . 1 . . . . . 75 ARG CB . 52365 1 935 . 1 . 1 75 75 ARG CG C 13 26.875 0.000 . 1 . . . . . 75 ARG CG . 52365 1 936 . 1 . 1 75 75 ARG CD C 13 43.212 0.000 . 1 . . . . . 75 ARG CD . 52365 1 937 . 1 . 1 75 75 ARG N N 15 121.462 0.021 . 1 . . . . . 75 ARG N . 52365 1 938 . 1 . 1 76 76 GLY H H 1 8.310 0.009 . 1 . . . . . 76 GLY HN . 52365 1 939 . 1 . 1 76 76 GLY HA2 H 1 3.842 0.003 . 2 . . . . . 76 GLY QA . 52365 1 940 . 1 . 1 76 76 GLY HA3 H 1 3.842 0.003 . 2 . . . . . 76 GLY QA . 52365 1 941 . 1 . 1 76 76 GLY C C 13 174.081 0.001 . 1 . . . . . 76 GLY C . 52365 1 942 . 1 . 1 76 76 GLY CA C 13 44.893 0.037 . 1 . . . . . 76 GLY CA . 52365 1 943 . 1 . 1 76 76 GLY N N 15 110.230 0.008 . 1 . . . . . 76 GLY N . 52365 1 944 . 1 . 1 77 77 GLY H H 1 8.085 0.008 . 1 . . . . . 77 GLY HN . 52365 1 945 . 1 . 1 77 77 GLY HA2 H 1 3.862 0.004 . 2 . . . . . 77 GLY QA . 52365 1 946 . 1 . 1 77 77 GLY HA3 H 1 3.862 0.004 . 2 . . . . . 77 GLY QA . 52365 1 947 . 1 . 1 77 77 GLY C C 13 175.959 0.000 . 1 . . . . . 77 GLY C . 52365 1 948 . 1 . 1 77 77 GLY CA C 13 43.756 0.000 . 1 . . . . . 77 GLY CA . 52365 1 949 . 1 . 1 77 77 GLY N N 15 109.246 0.067 . 1 . . . . . 77 GLY N . 52365 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDCs_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_1 _RDC_list.Entry_ID 52365 _RDC_list.ID 1 _RDC_list.Name "F' 1" _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _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 14 '2D 1H-15N IPAP HSQC' . . . 52365 1 15 '2D 1H-15N IPAP HSQC' . . . 52365 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $software_2 . . 52365 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 DNH . 1 1 2 2 MET N N 15 . . 1 1 2 2 MET H H 1 . -4.336 . . . . . . . . . . . . . . 52365 1 2 DNH . 1 1 5 5 PHE N N 15 . . 1 1 5 5 PHE H H 1 . 4.163 . . . . . . . . . . . . . . 52365 1 3 DNH . 1 1 6 6 VAL N N 15 . . 1 1 6 6 VAL H H 1 . 9.504 . . . . . . . . . . . . . . 52365 1 4 DNH . 1 1 7 7 LYS N N 15 . . 1 1 7 7 LYS H H 1 . -1.827 . . . . . . . . . . . . . . 52365 1 5 DNH . 1 1 8 8 THR N N 15 . . 1 1 8 8 THR H H 1 . 2.895 . . . . . . . . . . . . . . 52365 1 6 DNH . 1 1 9 9 LEU N N 15 . . 1 1 9 9 LEU H H 1 . 12.04 . . . . . . . . . . . . . . 52365 1 7 DNH . 1 1 10 10 THR N N 15 . . 1 1 10 10 THR H H 1 . 14.309 . . . . . . . . . . . . . . 52365 1 8 DNH . 1 1 11 11 GLY N N 15 . . 1 1 11 11 GLY H H 1 . 6.236 . . . . . . . . . . . . . . 52365 1 9 DNH . 1 1 12 12 LYS N N 15 . . 1 1 12 12 LYS H H 1 . -3.451 . . . . . . . . . . . . . . 52365 1 10 DNH . 1 1 13 13 THR N N 15 . . 1 1 13 13 THR H H 1 . 4.749 . . . . . . . . . . . . . . 52365 1 11 DNH . 1 1 14 14 ILE N N 15 . . 1 1 14 14 ILE H H 1 . 1.552 . . . . . . . . . . . . . . 52365 1 12 DNH . 1 1 15 15 THR N N 15 . . 1 1 15 15 THR H H 1 . -0.963 . . . . . . . . . . . . . . 52365 1 13 DNH . 1 1 16 16 LEU N N 15 . . 1 1 16 16 LEU H H 1 . 8.233 . . . . . . . . . . . . . . 52365 1 14 DNH . 1 1 18 18 VAL N N 15 . . 1 1 18 18 VAL H H 1 . 7.359 . . . . . . . . . . . . . . 52365 1 15 DNH . 1 1 19 19 GLU N N 15 . . 1 1 19 19 GLU H H 1 . -12.841 . . . . . . . . . . . . . . 52365 1 16 DNH . 1 1 20 20 SER N N 15 . . 1 1 20 20 SER H H 1 . -16.393 . . . . . . . . . . . . . . 52365 1 17 DNH . 1 1 21 21 SER N N 15 . . 1 1 21 21 SER H H 1 . -2.89 . . . . . . . . . . . . . . 52365 1 18 DNH . 1 1 22 22 ASP N N 15 . . 1 1 22 22 ASP H H 1 . 8.411 . . . . . . . . . . . . . . 52365 1 19 DNH . 1 1 24 24 ILE N N 15 . . 1 1 24 24 ILE H H 1 . -1.527 . . . . . . . . . . . . . . 52365 1 20 DNH . 1 1 25 25 ASP N N 15 . . 1 1 25 25 ASP H H 1 . 1.512 . . . . . . . . . . . . . . 52365 1 21 DNH . 1 1 26 26 ASN N N 15 . . 1 1 26 26 ASN H H 1 . -8.898 . . . . . . . . . . . . . . 52365 1 22 DNH . 1 1 27 27 VAL N N 15 . . 1 1 27 27 VAL H H 1 . 9.102 . . . . . . . . . . . . . . 52365 1 23 DNH . 1 1 28 28 LYS N N 15 . . 1 1 28 28 LYS H H 1 . 0.224 . . . . . . . . . . . . . . 52365 1 24 DNH . 1 1 29 29 ALA N N 15 . . 1 1 29 29 ALA H H 1 . -11.853 . . . . . . . . . . . . . . 52365 1 25 DNH . 1 1 30 30 LYS N N 15 . . 1 1 30 30 LYS H H 1 . -2.014 . . . . . . . . . . . . . . 52365 1 26 DNH . 1 1 32 32 GLN N N 15 . . 1 1 32 32 GLN H H 1 . -0.566 . . . . . . . . . . . . . . 52365 1 27 DNH . 1 1 33 33 ASP N N 15 . . 1 1 33 33 ASP H H 1 . -12.601 . . . . . . . . . . . . . . 52365 1 28 DNH . 1 1 34 34 LYS N N 15 . . 1 1 34 34 LYS H H 1 . -4.995 . . . . . . . . . . . . . . 52365 1 29 DNH . 1 1 35 35 GLU N N 15 . . 1 1 35 35 GLU H H 1 . -3.103 . . . . . . . . . . . . . . 52365 1 30 DNH . 1 1 36 36 GLY N N 15 . . 1 1 36 36 GLY H H 1 . -16.106 . . . . . . . . . . . . . . 52365 1 31 DNH . 1 1 37 37 ILE N N 15 . . 1 1 37 37 ILE H H 1 . -12.716 . . . . . . . . . . . . . . 52365 1 32 DNH . 1 1 40 40 ASP N N 15 . . 1 1 40 40 ASP H H 1 . 15.459 . . . . . . . . . . . . . . 52365 1 33 DNH . 1 1 41 41 GLN N N 15 . . 1 1 41 41 GLN H H 1 . 2.306 . . . . . . . . . . . . . . 52365 1 34 DNH . 1 1 42 42 GLN N N 15 . . 1 1 42 42 GLN H H 1 . 12.916 . . . . . . . . . . . . . . 52365 1 35 DNH . 1 1 44 44 LEU N N 15 . . 1 1 44 44 LEU H H 1 . 8.492 . . . . . . . . . . . . . . 52365 1 36 DNH . 1 1 45 45 ILE N N 15 . . 1 1 45 45 ILE H H 1 . 1.63 . . . . . . . . . . . . . . 52365 1 37 DNH . 1 1 46 46 PHE N N 15 . . 1 1 46 46 PHE H H 1 . 2.95 . . . . . . . . . . . . . . 52365 1 38 DNH . 1 1 47 47 ALA N N 15 . . 1 1 47 47 ALA H H 1 . 1.821 . . . . . . . . . . . . . . 52365 1 39 DNH . 1 1 48 48 GLY N N 15 . . 1 1 48 48 GLY H H 1 . -0.755 . . . . . . . . . . . . . . 52365 1 40 DNH . 1 1 49 49 LYS N N 15 . . 1 1 49 49 LYS H H 1 . -2.947 . . . . . . . . . . . . . . 52365 1 41 DNH . 1 1 50 50 GLN N N 15 . . 1 1 50 50 GLN H H 1 . 2.171 . . . . . . . . . . . . . . 52365 1 42 DNH . 1 1 54 54 GLY N N 15 . . 1 1 54 54 GLY H H 1 . -2.492 . . . . . . . . . . . . . . 52365 1 43 DNH . 1 1 55 55 ARG N N 15 . . 1 1 55 55 ARG H H 1 . -11.65 . . . . . . . . . . . . . . 52365 1 44 DNH . 1 1 56 56 THR N N 15 . . 1 1 56 56 THR H H 1 . -6.733 . . . . . . . . . . . . . . 52365 1 45 DNH . 1 1 57 57 LEU N N 15 . . 1 1 57 57 LEU H H 1 . 12.698 . . . . . . . . . . . . . . 52365 1 46 DNH . 1 1 59 59 ASP N N 15 . . 1 1 59 59 ASP H H 1 . 6.673 . . . . . . . . . . . . . . 52365 1 47 DNH . 1 1 60 60 TYR N N 15 . . 1 1 60 60 TYR H H 1 . 4.854 . . . . . . . . . . . . . . 52365 1 48 DNH . 1 1 61 61 ASN N N 15 . . 1 1 61 61 ASN H H 1 . 11.268 . . . . . . . . . . . . . . 52365 1 49 DNH . 1 1 62 62 ILE N N 15 . . 1 1 62 62 ILE H H 1 . -22.335 . . . . . . . . . . . . . . 52365 1 50 DNH . 1 1 63 63 GLN N N 15 . . 1 1 63 63 GLN H H 1 . 9.239 . . . . . . . . . . . . . . 52365 1 51 DNH . 1 1 65 65 GLU N N 15 . . 1 1 65 65 GLU H H 1 . 16.599 . . . . . . . . . . . . . . 52365 1 52 DNH . 1 1 67 67 THR N N 15 . . 1 1 67 67 THR H H 1 . 9.468 . . . . . . . . . . . . . . 52365 1 53 DNH . 1 1 68 68 LEU N N 15 . . 1 1 68 68 LEU H H 1 . 5.549 . . . . . . . . . . . . . . 52365 1 54 DNH . 1 1 69 69 HIS N N 15 . . 1 1 69 69 HIS H H 1 . -0.342 . . . . . . . . . . . . . . 52365 1 55 DNH . 1 1 71 71 VAL N N 15 . . 1 1 71 71 VAL H H 1 . 6.069 . . . . . . . . . . . . . . 52365 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 52365 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name "F' hetNOE 600" _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 5 '1H-15N heteronoe' . . . 52365 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 7 $software_7 . . 52365 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 MET H H 1 . 1 1 2 2 MET N N 15 0.6388 0.0095 . . . . . . . . . . 52365 1 2 . 1 1 3 3 GLN H H 1 . 1 1 3 3 GLN N N 15 0.4511 0.0083 . . . . . . . . . . 52365 1 3 . 1 1 4 4 ILE H H 1 . 1 1 4 4 ILE N N 15 0.5345 0.0121 . . . . . . . . . . 52365 1 4 . 1 1 5 5 PHE H H 1 . 1 1 5 5 PHE N N 15 0.7298 0.0118 . . . . . . . . . . 52365 1 5 . 1 1 6 6 VAL H H 1 . 1 1 6 6 VAL N N 15 0.7548 0.0139 . . . . . . . . . . 52365 1 6 . 1 1 7 7 LYS H H 1 . 1 1 7 7 LYS N N 15 0.7841 0.0129 . . . . . . . . . . 52365 1 7 . 1 1 8 8 THR H H 1 . 1 1 8 8 THR N N 15 0.7256 0.0116 . . . . . . . . . . 52365 1 8 . 1 1 9 9 LEU H H 1 . 1 1 9 9 LEU N N 15 0.6442 0.0093 . . . . . . . . . . 52365 1 9 . 1 1 10 10 THR H H 1 . 1 1 10 10 THR N N 15 0.5642 0.0087 . . . . . . . . . . 52365 1 10 . 1 1 11 11 GLY H H 1 . 1 1 11 11 GLY N N 15 0.6079 0.0075 . . . . . . . . . . 52365 1 11 . 1 1 12 12 LYS H H 1 . 1 1 12 12 LYS N N 15 0.5896 0.0079 . . . . . . . . . . 52365 1 12 . 1 1 13 13 THR H H 1 . 1 1 13 13 THR N N 15 0.632 0.0093 . . . . . . . . . . 52365 1 13 . 1 1 14 14 ILE H H 1 . 1 1 14 14 ILE N N 15 0.7554 0.0174 . . . . . . . . . . 52365 1 14 . 1 1 15 15 THR H H 1 . 1 1 15 15 THR N N 15 0.7221 0.0123 . . . . . . . . . . 52365 1 15 . 1 1 16 16 LEU H H 1 . 1 1 16 16 LEU N N 15 0.778 0.0125 . . . . . . . . . . 52365 1 16 . 1 1 17 17 GLU H H 1 . 1 1 17 17 GLU N N 15 0.1445 0.0215 . . . . . . . . . . 52365 1 17 . 1 1 18 18 VAL H H 1 . 1 1 18 18 VAL N N 15 0.7497 0.0119 . . . . . . . . . . 52365 1 18 . 1 1 19 19 GLU H H 1 . 1 1 19 19 GLU N N 15 0.6859 0.0123 . . . . . . . . . . 52365 1 19 . 1 1 20 20 SER H H 1 . 1 1 20 20 SER N N 15 0.7669 0.0109 . . . . . . . . . . 52365 1 20 . 1 1 21 21 SER H H 1 . 1 1 21 21 SER N N 15 0.7697 0.0102 . . . . . . . . . . 52365 1 21 . 1 1 22 22 ASP H H 1 . 1 1 22 22 ASP N N 15 0.7686 0.009 . . . . . . . . . . 52365 1 22 . 1 1 23 23 THR H H 1 . 1 1 23 23 THR N N 15 0.4947 0.0093 . . . . . . . . . . 52365 1 23 . 1 1 24 24 ILE H H 1 . 1 1 24 24 ILE N N 15 0.7829 0.0153 . . . . . . . . . . 52365 1 24 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.7765 0.0103 . . . . . . . . . . 52365 1 25 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.8133 0.0104 . . . . . . . . . . 52365 1 26 . 1 1 27 27 VAL H H 1 . 1 1 27 27 VAL N N 15 0.6156 0.0113 . . . . . . . . . . 52365 1 27 . 1 1 28 28 LYS H H 1 . 1 1 28 28 LYS N N 15 0.7524 0.0125 . . . . . . . . . . 52365 1 28 . 1 1 29 29 ALA H H 1 . 1 1 29 29 ALA N N 15 0.7807 0.0108 . . . . . . . . . . 52365 1 29 . 1 1 30 30 LYS H H 1 . 1 1 30 30 LYS N N 15 0.809 0.0121 . . . . . . . . . . 52365 1 30 . 1 1 31 31 ILE H H 1 . 1 1 31 31 ILE N N 15 0.9945 0.0146 . . . . . . . . . . 52365 1 31 . 1 1 32 32 GLN H H 1 . 1 1 32 32 GLN N N 15 0.7063 0.0098 . . . . . . . . . . 52365 1 32 . 1 1 33 33 ASP H H 1 . 1 1 33 33 ASP N N 15 0.7523 0.0101 . . . . . . . . . . 52365 1 33 . 1 1 34 34 LYS H H 1 . 1 1 34 34 LYS N N 15 0.7636 0.0122 . . . . . . . . . . 52365 1 34 . 1 1 35 35 GLU H H 1 . 1 1 35 35 GLU N N 15 0.7174 0.0113 . . . . . . . . . . 52365 1 35 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.7805 0.0124 . . . . . . . . . . 52365 1 36 . 1 1 37 37 ILE H H 1 . 1 1 37 37 ILE N N 15 0.7646 0.0113 . . . . . . . . . . 52365 1 37 . 1 1 40 40 ASP H H 1 . 1 1 40 40 ASP N N 15 0.7723 0.0086 . . . . . . . . . . 52365 1 38 . 1 1 41 41 GLN H H 1 . 1 1 41 41 GLN N N 15 0.7535 0.0148 . . . . . . . . . . 52365 1 39 . 1 1 42 42 GLN H H 1 . 1 1 42 42 GLN N N 15 0.7652 0.0117 . . . . . . . . . . 52365 1 40 . 1 1 43 43 ARG H H 1 . 1 1 43 43 ARG N N 15 0.7701 0.0162 . . . . . . . . . . 52365 1 41 . 1 1 44 44 LEU H H 1 . 1 1 44 44 LEU N N 15 0.7891 0.0145 . . . . . . . . . . 52365 1 42 . 1 1 45 45 ILE H H 1 . 1 1 45 45 ILE N N 15 0.7818 0.0152 . . . . . . . . . . 52365 1 43 . 1 1 46 46 PHE H H 1 . 1 1 46 46 PHE N N 15 0.7472 0.0121 . . . . . . . . . . 52365 1 44 . 1 1 47 47 ALA H H 1 . 1 1 47 47 ALA N N 15 0.7466 0.0039 . . . . . . . . . . 52365 1 45 . 1 1 48 48 GLY H H 1 . 1 1 48 48 GLY N N 15 0.9859 0.0169 . . . . . . . . . . 52365 1 46 . 1 1 49 49 LYS H H 1 . 1 1 49 49 LYS N N 15 0.7452 0.01 . . . . . . . . . . 52365 1 47 . 1 1 50 50 GLN H H 1 . 1 1 50 50 GLN N N 15 0.6424 0.0089 . . . . . . . . . . 52365 1 48 . 1 1 51 51 LEU H H 1 . 1 1 51 51 LEU N N 15 0.7522 0.0165 . . . . . . . . . . 52365 1 49 . 1 1 52 52 GLU H H 1 . 1 1 52 52 GLU N N 15 0.4419 0.0105 . . . . . . . . . . 52365 1 50 . 1 1 53 53 ASP H H 1 . 1 1 53 53 ASP N N 15 0.7447 0.0099 . . . . . . . . . . 52365 1 51 . 1 1 54 54 GLY H H 1 . 1 1 54 54 GLY N N 15 0.734 0.0133 . . . . . . . . . . 52365 1 52 . 1 1 55 55 ARG H H 1 . 1 1 55 55 ARG N N 15 0.766 0.0113 . . . . . . . . . . 52365 1 53 . 1 1 56 56 THR H H 1 . 1 1 56 56 THR N N 15 0.7769 0.0137 . . . . . . . . . . 52365 1 54 . 1 1 57 57 LEU H H 1 . 1 1 57 57 LEU N N 15 0.7929 0.0136 . . . . . . . . . . 52365 1 55 . 1 1 58 58 ALA H H 1 . 1 1 58 58 ALA N N 15 0.83 0.0156 . . . . . . . . . . 52365 1 56 . 1 1 59 59 ASP H H 1 . 1 1 59 59 ASP N N 15 0.7415 0.016 . . . . . . . . . . 52365 1 57 . 1 1 60 60 TYR H H 1 . 1 1 60 60 TYR N N 15 0.7963 0.0115 . . . . . . . . . . 52365 1 58 . 1 1 61 61 ASN H H 1 . 1 1 61 61 ASN N N 15 0.7248 0.0195 . . . . . . . . . . 52365 1 59 . 1 1 62 62 ILE H H 1 . 1 1 62 62 ILE N N 15 0.7487 0.0173 . . . . . . . . . . 52365 1 60 . 1 1 63 63 GLN H H 1 . 1 1 63 63 GLN N N 15 0.6023 0.0183 . . . . . . . . . . 52365 1 61 . 1 1 64 64 LYS H H 1 . 1 1 64 64 LYS N N 15 0.7491 0.018 . . . . . . . . . . 52365 1 62 . 1 1 65 65 GLU H H 1 . 1 1 65 65 GLU N N 15 0.7597 0.0164 . . . . . . . . . . 52365 1 63 . 1 1 66 66 SER H H 1 . 1 1 66 66 SER N N 15 0.8122 0.0169 . . . . . . . . . . 52365 1 64 . 1 1 67 67 THR H H 1 . 1 1 67 67 THR N N 15 0.7811 0.0119 . . . . . . . . . . 52365 1 65 . 1 1 68 68 LEU H H 1 . 1 1 68 68 LEU N N 15 0.7659 0.0138 . . . . . . . . . . 52365 1 66 . 1 1 69 69 HIS H H 1 . 1 1 69 69 HIS N N 15 0.7528 0.0139 . . . . . . . . . . 52365 1 67 . 1 1 70 70 LEU H H 1 . 1 1 70 70 LEU N N 15 0.6319 0.0119 . . . . . . . . . . 52365 1 68 . 1 1 71 71 VAL H H 1 . 1 1 71 71 VAL N N 15 0.8021 0.0177 . . . . . . . . . . 52365 1 69 . 1 1 72 72 LEU H H 1 . 1 1 72 72 LEU N N 15 0.6047 0.0077 . . . . . . . . . . 52365 1 70 . 1 1 73 73 ARG H H 1 . 1 1 73 73 ARG N N 15 0.6712 0.0103 . . . . . . . . . . 52365 1 71 . 1 1 74 74 LEU H H 1 . 1 1 74 74 LEU N N 15 0.2974 0.0032 . . . . . . . . . . 52365 1 72 . 1 1 75 75 ARG H H 1 . 1 1 75 75 ARG N N 15 0.1628 0.0067 . . . . . . . . . . 52365 1 73 . 1 1 76 76 GLY H H 1 . 1 1 76 76 GLY N N 15 -0.335 0.0048 . . . . . . . . . . 52365 1 74 . 1 1 77 77 GLY H H 1 . 1 1 77 77 GLY N N 15 -1.0146 0.005 . . . . . . . . . . 52365 1 stop_ save_ save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 52365 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name "F' hetNOE 700" _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 20 '1H-15N heteronoe' . . . 52365 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 7 $software_7 . . 52365 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 MET H H 1 . 1 1 2 2 MET N N 15 0.6495 0.0169 . . . . . . . . . . 52365 2 2 . 1 1 3 3 GLN H H 1 . 1 1 3 3 GLN N N 15 0.4867 0.0128 . . . . . . . . . . 52365 2 3 . 1 1 4 4 ILE H H 1 . 1 1 4 4 ILE N N 15 0.6735 0.0139 . . . . . . . . . . 52365 2 4 . 1 1 5 5 PHE H H 1 . 1 1 5 5 PHE N N 15 0.7504 0.0192 . . . . . . . . . . 52365 2 5 . 1 1 6 6 VAL H H 1 . 1 1 6 6 VAL N N 15 0.7776 0.0206 . . . . . . . . . . 52365 2 6 . 1 1 7 7 LYS H H 1 . 1 1 7 7 LYS N N 15 0.7796 0.0195 . . . . . . . . . . 52365 2 7 . 1 1 8 8 THR H H 1 . 1 1 8 8 THR N N 15 0.731 0.0179 . . . . . . . . . . 52365 2 8 . 1 1 9 9 LEU H H 1 . 1 1 9 9 LEU N N 15 0.6471 0.0158 . . . . . . . . . . 52365 2 9 . 1 1 10 10 THR H H 1 . 1 1 10 10 THR N N 15 0.5948 0.0141 . . . . . . . . . . 52365 2 10 . 1 1 11 11 GLY H H 1 . 1 1 11 11 GLY N N 15 0.6374 0.0123 . . . . . . . . . . 52365 2 11 . 1 1 12 12 LYS H H 1 . 1 1 12 12 LYS N N 15 0.5947 0.0113 . . . . . . . . . . 52365 2 12 . 1 1 13 13 THR H H 1 . 1 1 13 13 THR N N 15 0.689 0.0152 . . . . . . . . . . 52365 2 13 . 1 1 14 14 ILE H H 1 . 1 1 14 14 ILE N N 15 0.711 0.0189 . . . . . . . . . . 52365 2 14 . 1 1 15 15 THR H H 1 . 1 1 15 15 THR N N 15 0.7838 0.0193 . . . . . . . . . . 52365 2 15 . 1 1 16 16 LEU H H 1 . 1 1 16 16 LEU N N 15 0.7964 0.0216 . . . . . . . . . . 52365 2 16 . 1 1 18 18 VAL H H 1 . 1 1 18 18 VAL N N 15 0.7378 0.0172 . . . . . . . . . . 52365 2 17 . 1 1 19 19 GLU H H 1 . 1 1 19 19 GLU N N 15 0.7807 0.019 . . . . . . . . . . 52365 2 18 . 1 1 20 20 SER H H 1 . 1 1 20 20 SER N N 15 0.746 0.014 . . . . . . . . . . 52365 2 19 . 1 1 21 21 SER H H 1 . 1 1 21 21 SER N N 15 0.7593 0.0131 . . . . . . . . . . 52365 2 20 . 1 1 22 22 ASP H H 1 . 1 1 22 22 ASP N N 15 0.7757 0.0149 . . . . . . . . . . 52365 2 21 . 1 1 23 23 THR H H 1 . 1 1 23 23 THR N N 15 0.5026 0.0126 . . . . . . . . . . 52365 2 22 . 1 1 24 24 ILE H H 1 . 1 1 24 24 ILE N N 15 0.7886 0.0188 . . . . . . . . . . 52365 2 23 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.7634 0.0159 . . . . . . . . . . 52365 2 24 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.8216 0.015 . . . . . . . . . . 52365 2 25 . 1 1 27 27 VAL H H 1 . 1 1 27 27 VAL N N 15 0.6601 0.0182 . . . . . . . . . . 52365 2 26 . 1 1 28 28 LYS H H 1 . 1 1 28 28 LYS N N 15 0.7809 0.0179 . . . . . . . . . . 52365 2 27 . 1 1 29 29 ALA H H 1 . 1 1 29 29 ALA N N 15 0.7865 0.0142 . . . . . . . . . . 52365 2 28 . 1 1 30 30 LYS H H 1 . 1 1 30 30 LYS N N 15 0.769 0.0178 . . . . . . . . . . 52365 2 29 . 1 1 32 32 GLN H H 1 . 1 1 32 32 GLN N N 15 0.7237 0.0159 . . . . . . . . . . 52365 2 30 . 1 1 33 33 ASP H H 1 . 1 1 33 33 ASP N N 15 0.792 0.0137 . . . . . . . . . . 52365 2 31 . 1 1 34 34 LYS H H 1 . 1 1 34 34 LYS N N 15 0.7802 0.0146 . . . . . . . . . . 52365 2 32 . 1 1 35 35 GLU H H 1 . 1 1 35 35 GLU N N 15 0.734 0.0169 . . . . . . . . . . 52365 2 33 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.7725 0.0172 . . . . . . . . . . 52365 2 34 . 1 1 37 37 ILE H H 1 . 1 1 37 37 ILE N N 15 0.7723 0.0154 . . . . . . . . . . 52365 2 35 . 1 1 40 40 ASP H H 1 . 1 1 40 40 ASP N N 15 0.7941 0.0137 . . . . . . . . . . 52365 2 36 . 1 1 41 41 GLN H H 1 . 1 1 41 41 GLN N N 15 0.7849 0.0177 . . . . . . . . . . 52365 2 37 . 1 1 42 42 GLN H H 1 . 1 1 42 42 GLN N N 15 0.7557 0.0159 . . . . . . . . . . 52365 2 38 . 1 1 43 43 ARG H H 1 . 1 1 43 43 ARG N N 15 0.7404 0.0202 . . . . . . . . . . 52365 2 39 . 1 1 44 44 LEU H H 1 . 1 1 44 44 LEU N N 15 0.7211 0.0185 . . . . . . . . . . 52365 2 40 . 1 1 45 45 ILE H H 1 . 1 1 45 45 ILE N N 15 0.7991 0.0221 . . . . . . . . . . 52365 2 41 . 1 1 46 46 PHE H H 1 . 1 1 46 46 PHE N N 15 0.73 0.021 . . . . . . . . . . 52365 2 42 . 1 1 47 47 ALA H H 1 . 1 1 47 47 ALA N N 15 0.725 0.0175 . . . . . . . . . . 52365 2 43 . 1 1 48 48 GLY H H 1 . 1 1 48 48 GLY N N 15 0.7476 0.0151 . . . . . . . . . . 52365 2 44 . 1 1 49 49 LYS H H 1 . 1 1 49 49 LYS N N 15 0.7942 0.0185 . . . . . . . . . . 52365 2 45 . 1 1 50 50 GLN H H 1 . 1 1 50 50 GLN N N 15 0.6965 0.0155 . . . . . . . . . . 52365 2 46 . 1 1 51 51 LEU H H 1 . 1 1 51 51 LEU N N 15 0.7535 0.0199 . . . . . . . . . . 52365 2 47 . 1 1 52 52 GLU H H 1 . 1 1 52 52 GLU N N 15 0.8383 0.0235 . . . . . . . . . . 52365 2 48 . 1 1 53 53 ASP H H 1 . 1 1 53 53 ASP N N 15 0.7388 0.0147 . . . . . . . . . . 52365 2 49 . 1 1 54 54 GLY H H 1 . 1 1 54 54 GLY N N 15 0.7522 0.0233 . . . . . . . . . . 52365 2 50 . 1 1 55 55 ARG H H 1 . 1 1 55 55 ARG N N 15 0.7833 0.014 . . . . . . . . . . 52365 2 51 . 1 1 56 56 THR H H 1 . 1 1 56 56 THR N N 15 0.759 0.0189 . . . . . . . . . . 52365 2 52 . 1 1 57 57 LEU H H 1 . 1 1 57 57 LEU N N 15 0.7959 0.0187 . . . . . . . . . . 52365 2 53 . 1 1 59 59 ASP H H 1 . 1 1 59 59 ASP N N 15 0.7296 0.0128 . . . . . . . . . . 52365 2 54 . 1 1 60 60 TYR H H 1 . 1 1 60 60 TYR N N 15 0.7819 0.0151 . . . . . . . . . . 52365 2 55 . 1 1 61 61 ASN H H 1 . 1 1 61 61 ASN N N 15 0.7934 0.0159 . . . . . . . . . . 52365 2 56 . 1 1 62 62 ILE H H 1 . 1 1 62 62 ILE N N 15 0.8022 0.0143 . . . . . . . . . . 52365 2 57 . 1 1 63 63 GLN H H 1 . 1 1 63 63 GLN N N 15 0.6515 0.0177 . . . . . . . . . . 52365 2 58 . 1 1 64 64 LYS H H 1 . 1 1 64 64 LYS N N 15 0.7752 0.0164 . . . . . . . . . . 52365 2 59 . 1 1 65 65 GLU H H 1 . 1 1 65 65 GLU N N 15 0.8013 0.0203 . . . . . . . . . . 52365 2 60 . 1 1 66 66 SER H H 1 . 1 1 66 66 SER N N 15 0.8041 0.0164 . . . . . . . . . . 52365 2 61 . 1 1 67 67 THR H H 1 . 1 1 67 67 THR N N 15 0.7551 0.0185 . . . . . . . . . . 52365 2 62 . 1 1 68 68 LEU H H 1 . 1 1 68 68 LEU N N 15 0.7534 0.0211 . . . . . . . . . . 52365 2 63 . 1 1 69 69 HIS H H 1 . 1 1 69 69 HIS N N 15 0.7856 0.0212 . . . . . . . . . . 52365 2 64 . 1 1 70 70 LEU H H 1 . 1 1 70 70 LEU N N 15 0.7619 0.02 . . . . . . . . . . 52365 2 65 . 1 1 71 71 VAL H H 1 . 1 1 71 71 VAL N N 15 0.7669 0.0215 . . . . . . . . . . 52365 2 66 . 1 1 72 72 LEU H H 1 . 1 1 72 72 LEU N N 15 0.6915 0.0128 . . . . . . . . . . 52365 2 67 . 1 1 73 73 ARG H H 1 . 1 1 73 73 ARG N N 15 0.6812 0.0173 . . . . . . . . . . 52365 2 68 . 1 1 74 74 LEU H H 1 . 1 1 74 74 LEU N N 15 0.3837 0.0124 . . . . . . . . . . 52365 2 69 . 1 1 75 75 ARG H H 1 . 1 1 75 75 ARG N N 15 0.1765 0.0136 . . . . . . . . . . 52365 2 70 . 1 1 76 76 GLY H H 1 . 1 1 76 76 GLY N N 15 -0.2561 -0.0096 . . . . . . . . . . 52365 2 71 . 1 1 77 77 GLY H H 1 . 1 1 77 77 GLY N N 15 -0.9119 -0.0101 . . . . . . . . . . 52365 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 52365 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name "F' T1 600" _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 3 'T1/R1 relaxation' . . . 52365 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 7 $software_7 . . 52365 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 MET N N 15 0.5345 0.0062 . . . . . 52365 1 2 . 1 1 3 3 GLN N N 15 0.564 0.0037 . . . . . 52365 1 3 . 1 1 4 4 ILE N N 15 0.5176 0.0048 . . . . . 52365 1 4 . 1 1 5 5 PHE N N 15 0.478 0.0053 . . . . . 52365 1 5 . 1 1 6 6 VAL N N 15 0.5057 0.0054 . . . . . 52365 1 6 . 1 1 7 7 LYS N N 15 0.4885 0.003 . . . . . 52365 1 7 . 1 1 8 8 THR N N 15 0.4903 0.0054 . . . . . 52365 1 8 . 1 1 9 9 LEU N N 15 0.5 0.0058 . . . . . 52365 1 9 . 1 1 10 10 THR N N 15 0.529 0.0066 . . . . . 52365 1 10 . 1 1 11 11 GLY N N 15 0.5194 0.0052 . . . . . 52365 1 11 . 1 1 12 12 LYS N N 15 0.541 0.0064 . . . . . 52365 1 12 . 1 1 13 13 THR N N 15 0.5248 0.0066 . . . . . 52365 1 13 . 1 1 14 14 ILE N N 15 0.4957 0.0046 . . . . . 52365 1 14 . 1 1 15 15 THR N N 15 0.5162 0.0072 . . . . . 52365 1 15 . 1 1 16 16 LEU N N 15 0.485 0.0029 . . . . . 52365 1 16 . 1 1 17 17 GLU N N 15 0.5308 0.0027 . . . . . 52365 1 17 . 1 1 18 18 VAL N N 15 0.5011 0.005 . . . . . 52365 1 18 . 1 1 19 19 GLU N N 15 0.5506 0.0083 . . . . . 52365 1 19 . 1 1 20 20 SER N N 15 0.5493 0.0057 . . . . . 52365 1 20 . 1 1 21 21 SER N N 15 0.4806 0.0076 . . . . . 52365 1 21 . 1 1 22 22 ASP N N 15 0.475 0.0044 . . . . . 52365 1 22 . 1 1 23 23 THR N N 15 0.6163 0.0087 . . . . . 52365 1 23 . 1 1 24 24 ILE N N 15 0.4634 0.0083 . . . . . 52365 1 24 . 1 1 25 25 ASP N N 15 0.4754 0.0068 . . . . . 52365 1 25 . 1 1 26 26 ASN N N 15 0.4828 0.0071 . . . . . 52365 1 26 . 1 1 27 27 VAL N N 15 0.5005 0.0027 . . . . . 52365 1 27 . 1 1 28 28 LYS N N 15 0.4774 0.0046 . . . . . 52365 1 28 . 1 1 29 29 ALA N N 15 0.4822 0.0031 . . . . . 52365 1 29 . 1 1 30 30 LYS N N 15 0.4971 0.0029 . . . . . 52365 1 30 . 1 1 31 31 ILE N N 15 0.5328 0.007 . . . . . 52365 1 31 . 1 1 32 32 GLN N N 15 0.4898 0.0051 . . . . . 52365 1 32 . 1 1 33 33 ASP N N 15 0.5 0.0031 . . . . . 52365 1 33 . 1 1 34 34 LYS N N 15 0.5112 0.0012 . . . . . 52365 1 34 . 1 1 35 35 GLU N N 15 0.5159 0.0028 . . . . . 52365 1 35 . 1 1 36 36 GLY N N 15 0.5266 0.0032 . . . . . 52365 1 36 . 1 1 37 37 ILE N N 15 0.6041 0.0024 . . . . . 52365 1 37 . 1 1 40 40 ASP N N 15 0.4933 0.0029 . . . . . 52365 1 38 . 1 1 41 41 GLN N N 15 0.493 0.0027 . . . . . 52365 1 39 . 1 1 42 42 GLN N N 15 0.5002 0.0037 . . . . . 52365 1 40 . 1 1 43 43 ARG N N 15 0.5 0.0033 . . . . . 52365 1 41 . 1 1 44 44 LEU N N 15 0.4939 0.0069 . . . . . 52365 1 42 . 1 1 45 45 ILE N N 15 0.5002 0.0024 . . . . . 52365 1 43 . 1 1 46 46 PHE N N 15 0.5 0.0031 . . . . . 52365 1 44 . 1 1 47 47 ALA N N 15 0.5146 0.0024 . . . . . 52365 1 45 . 1 1 48 48 GLY N N 15 0.5108 0.0024 . . . . . 52365 1 46 . 1 1 49 49 LYS N N 15 0.5273 0.0019 . . . . . 52365 1 47 . 1 1 50 50 GLN N N 15 0.5365 0.0025 . . . . . 52365 1 48 . 1 1 51 51 LEU N N 15 0.499 0.0042 . . . . . 52365 1 49 . 1 1 52 52 GLU N N 15 0.5744 0.0061 . . . . . 52365 1 50 . 1 1 53 53 ASP N N 15 0.5471 0.0069 . . . . . 52365 1 51 . 1 1 54 54 GLY N N 15 0.5026 0.0063 . . . . . 52365 1 52 . 1 1 55 55 ARG N N 15 0.5211 0.0051 . . . . . 52365 1 53 . 1 1 56 56 THR N N 15 0.4862 0.0067 . . . . . 52365 1 54 . 1 1 57 57 LEU N N 15 0.4674 0.0067 . . . . . 52365 1 55 . 1 1 58 58 ALA N N 15 0.4783 0.0023 . . . . . 52365 1 56 . 1 1 59 59 ASP N N 15 0.4691 0.008 . . . . . 52365 1 57 . 1 1 60 60 TYR N N 15 0.4966 0.0044 . . . . . 52365 1 58 . 1 1 61 61 ASN N N 15 0.4867 0.0046 . . . . . 52365 1 59 . 1 1 62 62 ILE N N 15 0.4873 0.0037 . . . . . 52365 1 60 . 1 1 63 63 GLN N N 15 0.5451 0.0046 . . . . . 52365 1 61 . 1 1 64 64 LYS N N 15 0.5414 0.0039 . . . . . 52365 1 62 . 1 1 65 65 GLU N N 15 0.4857 0.0026 . . . . . 52365 1 63 . 1 1 66 66 SER N N 15 0.4863 0.0086 . . . . . 52365 1 64 . 1 1 67 67 THR N N 15 0.4989 0.0094 . . . . . 52365 1 65 . 1 1 68 68 LEU N N 15 0.5021 0.0049 . . . . . 52365 1 66 . 1 1 69 69 HIS N N 15 0.5108 0.005 . . . . . 52365 1 67 . 1 1 70 70 LEU N N 15 0.5131 0.0034 . . . . . 52365 1 68 . 1 1 71 71 VAL N N 15 0.4988 0.0021 . . . . . 52365 1 69 . 1 1 72 72 LEU N N 15 0.5237 0.0027 . . . . . 52365 1 70 . 1 1 73 73 ARG N N 15 0.5177 0.0024 . . . . . 52365 1 71 . 1 1 74 74 LEU N N 15 0.5243 0.008 . . . . . 52365 1 72 . 1 1 75 75 ARG N N 15 0.592 0.0035 . . . . . 52365 1 73 . 1 1 76 76 GLY N N 15 0.7589 0.0021 . . . . . 52365 1 74 . 1 1 77 77 GLY N N 15 1.1499 0.0058 . . . . . 52365 1 stop_ save_ save_heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Entry_ID 52365 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name "F' T1 700" _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 700 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 18 'T1/R1 relaxation' . . . 52365 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 7 $software_7 . . 52365 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 MET N N 15 0.568 0.0072 . . . . . 52365 2 2 . 1 1 3 3 GLN N N 15 0.6107 0.0049 . . . . . 52365 2 3 . 1 1 4 4 ILE N N 15 0.5327 0.0066 . . . . . 52365 2 4 . 1 1 5 5 PHE N N 15 0.5239 0.0081 . . . . . 52365 2 5 . 1 1 6 6 VAL N N 15 0.5638 0.0057 . . . . . 52365 2 6 . 1 1 7 7 LYS N N 15 0.5341 0.0106 . . . . . 52365 2 7 . 1 1 8 8 THR N N 15 0.5415 0.007 . . . . . 52365 2 8 . 1 1 9 9 LEU N N 15 0.543 0.0086 . . . . . 52365 2 9 . 1 1 10 10 THR N N 15 0.6043 0.0119 . . . . . 52365 2 10 . 1 1 11 11 GLY N N 15 0.5624 0.0048 . . . . . 52365 2 11 . 1 1 12 12 LYS N N 15 0.5868 0.0078 . . . . . 52365 2 12 . 1 1 13 13 THR N N 15 0.5891 0.0062 . . . . . 52365 2 13 . 1 1 14 14 ILE N N 15 0.5505 0.0117 . . . . . 52365 2 14 . 1 1 15 15 THR N N 15 0.5584 0.0086 . . . . . 52365 2 15 . 1 1 16 16 LEU N N 15 0.5227 0.0086 . . . . . 52365 2 16 . 1 1 17 17 GLU N N 15 0.5958 0.0095 . . . . . 52365 2 17 . 1 1 18 18 VAL N N 15 0.5481 0.0093 . . . . . 52365 2 18 . 1 1 19 19 GLU N N 15 0.5936 0.0098 . . . . . 52365 2 19 . 1 1 20 20 SER N N 15 0.5948 0.0091 . . . . . 52365 2 20 . 1 1 21 21 SER N N 15 0.5149 0.0075 . . . . . 52365 2 21 . 1 1 22 22 ASP N N 15 0.5131 0.01 . . . . . 52365 2 22 . 1 1 23 23 THR N N 15 0.6423 0.0055 . . . . . 52365 2 23 . 1 1 24 24 ILE N N 15 0.5047 0.0057 . . . . . 52365 2 24 . 1 1 25 25 ASP N N 15 0.5118 0.0092 . . . . . 52365 2 25 . 1 1 26 26 ASN N N 15 0.5372 0.0069 . . . . . 52365 2 26 . 1 1 27 27 VAL N N 15 0.5464 0.0054 . . . . . 52365 2 27 . 1 1 28 28 LYS N N 15 0.517 0.0094 . . . . . 52365 2 28 . 1 1 29 29 ALA N N 15 0.5033 0.007 . . . . . 52365 2 29 . 1 1 30 30 LYS N N 15 0.5363 0.0077 . . . . . 52365 2 30 . 1 1 31 31 ILE N N 15 0.5364 0.0057 . . . . . 52365 2 31 . 1 1 32 32 GLN N N 15 0.5309 0.0074 . . . . . 52365 2 32 . 1 1 33 33 ASP N N 15 0.5442 0.007 . . . . . 52365 2 33 . 1 1 34 34 LYS N N 15 0.5595 0.0046 . . . . . 52365 2 34 . 1 1 35 35 GLU N N 15 0.5667 0.0086 . . . . . 52365 2 35 . 1 1 36 36 GLY N N 15 0.5856 0.0069 . . . . . 52365 2 36 . 1 1 37 37 ILE N N 15 0.638 0.0067 . . . . . 52365 2 37 . 1 1 40 40 ASP N N 15 0.5321 0.0055 . . . . . 52365 2 38 . 1 1 41 41 GLN N N 15 0.5255 0.0066 . . . . . 52365 2 39 . 1 1 42 42 GLN N N 15 0.5494 0.0074 . . . . . 52365 2 40 . 1 1 43 43 ARG N N 15 0.5445 0.0108 . . . . . 52365 2 41 . 1 1 44 44 LEU N N 15 0.5529 0.0088 . . . . . 52365 2 42 . 1 1 45 45 ILE N N 15 0.5435 0.0088 . . . . . 52365 2 43 . 1 1 46 46 PHE N N 15 0.5269 0.0033 . . . . . 52365 2 44 . 1 1 47 47 ALA N N 15 0.5437 0.0093 . . . . . 52365 2 45 . 1 1 48 48 GLY N N 15 0.5675 0.0054 . . . . . 52365 2 46 . 1 1 49 49 LYS N N 15 0.5775 0.0055 . . . . . 52365 2 47 . 1 1 50 50 GLN N N 15 0.5855 0.0072 . . . . . 52365 2 48 . 1 1 51 51 LEU N N 15 0.5499 0.0046 . . . . . 52365 2 49 . 1 1 52 52 GLU N N 15 0.6045 0.0087 . . . . . 52365 2 50 . 1 1 53 53 ASP N N 15 0.5964 0.005 . . . . . 52365 2 51 . 1 1 54 54 GLY N N 15 0.5621 0.011 . . . . . 52365 2 52 . 1 1 55 55 ARG N N 15 0.562 0.0045 . . . . . 52365 2 53 . 1 1 56 56 THR N N 15 0.5742 0.0148 . . . . . 52365 2 54 . 1 1 57 57 LEU N N 15 0.5202 0.009 . . . . . 52365 2 55 . 1 1 58 58 ALA N N 15 0.5087 0.0055 . . . . . 52365 2 56 . 1 1 59 59 ASP N N 15 0.5342 0.007 . . . . . 52365 2 57 . 1 1 60 60 TYR N N 15 0.556 0.007 . . . . . 52365 2 58 . 1 1 61 61 ASN N N 15 0.5374 0.0069 . . . . . 52365 2 59 . 1 1 62 62 ILE N N 15 0.5442 0.0096 . . . . . 52365 2 60 . 1 1 63 63 GLN N N 15 0.6084 0.0046 . . . . . 52365 2 61 . 1 1 64 64 LYS N N 15 0.5818 0.0048 . . . . . 52365 2 62 . 1 1 65 65 GLU N N 15 0.5415 0.0119 . . . . . 52365 2 63 . 1 1 66 66 SER N N 15 0.54 0.0071 . . . . . 52365 2 64 . 1 1 67 67 THR N N 15 0.5706 0.0136 . . . . . 52365 2 65 . 1 1 68 68 LEU N N 15 0.5459 0.0063 . . . . . 52365 2 66 . 1 1 69 69 HIS N N 15 0.546 0.0056 . . . . . 52365 2 67 . 1 1 70 70 LEU N N 15 0.5507 0.0096 . . . . . 52365 2 68 . 1 1 71 71 VAL N N 15 0.5628 0.0139 . . . . . 52365 2 69 . 1 1 72 72 LEU N N 15 0.5574 0.008 . . . . . 52365 2 70 . 1 1 73 73 ARG N N 15 0.5644 0.0048 . . . . . 52365 2 71 . 1 1 74 74 LEU N N 15 0.583 0.0066 . . . . . 52365 2 72 . 1 1 75 75 ARG N N 15 0.642 0.0049 . . . . . 52365 2 73 . 1 1 76 76 GLY N N 15 0.8398 0.0059 . . . . . 52365 2 74 . 1 1 77 77 GLY N N 15 1.3003 0.009 . . . . . 52365 2 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Entry_ID 52365 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name "F' T1rho 600" _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 600 _Heteronucl_T1rho_list.Temp_calibration_method none _Heteronucl_T1rho_list.Temp_control_method none _Heteronucl_T1rho_list.T1rho_coherence_type I(+,-) _Heteronucl_T1rho_list.T1rho_val_units s _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 4 'T1rho/R1rho relaxation' . . . 52365 1 stop_ loop_ _Heteronucl_T1rho_software.Software_ID _Heteronucl_T1rho_software.Software_label _Heteronucl_T1rho_software.Method_ID _Heteronucl_T1rho_software.Method_label _Heteronucl_T1rho_software.Entry_ID _Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID 7 $software_7 . . 52365 1 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 2 2 MET N N 15 0.1413 0.002 . . . . . . . 52365 1 2 . 1 1 3 3 GLN N N 15 0.1891 0.0025 . . . . . . . 52365 1 3 . 1 1 4 4 ILE N N 15 0.168 0.0021 . . . . . . . 52365 1 4 . 1 1 5 5 PHE N N 15 0.1301 0.0017 . . . . . . . 52365 1 5 . 1 1 6 6 VAL N N 15 0.1397 0.0016 . . . . . . . 52365 1 6 . 1 1 7 7 LYS N N 15 0.1605 0.0033 . . . . . . . 52365 1 7 . 1 1 8 8 THR N N 15 0.1341 0.0013 . . . . . . . 52365 1 8 . 1 1 9 9 LEU N N 15 0.1463 0.0013 . . . . . . . 52365 1 9 . 1 1 10 10 THR N N 15 0.1849 0.0034 . . . . . . . 52365 1 10 . 1 1 11 11 GLY N N 15 0.1886 0.0025 . . . . . . . 52365 1 11 . 1 1 12 12 LYS N N 15 0.1601 0.0015 . . . . . . . 52365 1 12 . 1 1 13 13 THR N N 15 0.1528 0.0018 . . . . . . . 52365 1 13 . 1 1 14 14 ILE N N 15 0.1501 0.0021 . . . . . . . 52365 1 14 . 1 1 15 15 THR N N 15 0.1403 0.0016 . . . . . . . 52365 1 15 . 1 1 16 16 LEU N N 15 0.1452 0.0015 . . . . . . . 52365 1 16 . 1 1 17 17 GLU N N 15 0.1352 0.0014 . . . . . . . 52365 1 17 . 1 1 18 18 VAL N N 15 0.138 0.0014 . . . . . . . 52365 1 18 . 1 1 19 19 GLU N N 15 0.1388 0.0024 . . . . . . . 52365 1 19 . 1 1 20 20 SER N N 15 0.1295 0.0013 . . . . . . . 52365 1 20 . 1 1 21 21 SER N N 15 0.1473 0.0016 . . . . . . . 52365 1 21 . 1 1 22 22 ASP N N 15 0.1253 0.0009 . . . . . . . 52365 1 22 . 1 1 23 23 THR N N 15 0.234 0.0024 . . . . . . . 52365 1 23 . 1 1 24 24 ILE N N 15 0.1281 0.0014 . . . . . . . 52365 1 24 . 1 1 25 25 ASP N N 15 0.1201 0.0015 . . . . . . . 52365 1 25 . 1 1 26 26 ASN N N 15 0.1258 0.0013 . . . . . . . 52365 1 26 . 1 1 27 27 VAL N N 15 0.1531 0.0015 . . . . . . . 52365 1 27 . 1 1 28 28 LYS N N 15 0.1235 0.0007 . . . . . . . 52365 1 28 . 1 1 29 29 ALA N N 15 0.1309 0.0008 . . . . . . . 52365 1 29 . 1 1 30 30 LYS N N 15 0.1311 0.0018 . . . . . . . 52365 1 30 . 1 1 31 31 ILE N N 15 0.2002 0.0031 . . . . . . . 52365 1 31 . 1 1 32 32 GLN N N 15 0.137 0.0008 . . . . . . . 52365 1 32 . 1 1 33 33 ASP N N 15 0.1288 0.0019 . . . . . . . 52365 1 33 . 1 1 34 34 LYS N N 15 0.1404 0.0013 . . . . . . . 52365 1 34 . 1 1 35 35 GLU N N 15 0.1493 0.0015 . . . . . . . 52365 1 35 . 1 1 36 36 GLY N N 15 0.1555 0.0016 . . . . . . . 52365 1 36 . 1 1 37 37 ILE N N 15 0.1446 0.0014 . . . . . . . 52365 1 37 . 1 1 40 40 ASP N N 15 0.1441 0.0005 . . . . . . . 52365 1 38 . 1 1 41 41 GLN N N 15 0.132 0.0022 . . . . . . . 52365 1 39 . 1 1 42 42 GLN N N 15 0.1373 0.0013 . . . . . . . 52365 1 40 . 1 1 43 43 ARG N N 15 0.1448 0.0016 . . . . . . . 52365 1 41 . 1 1 44 44 LEU N N 15 0.144 0.0013 . . . . . . . 52365 1 42 . 1 1 45 45 ILE N N 15 0.1409 0.0014 . . . . . . . 52365 1 43 . 1 1 46 46 PHE N N 15 0.1443 0.0011 . . . . . . . 52365 1 44 . 1 1 47 47 ALA N N 15 0.207 0.005 . . . . . . . 52365 1 45 . 1 1 48 48 GLY N N 15 0.2572 0.006 . . . . . . . 52365 1 46 . 1 1 49 49 LYS N N 15 0.134 0.0012 . . . . . . . 52365 1 47 . 1 1 50 50 GLN N N 15 0.1551 0.0015 . . . . . . . 52365 1 48 . 1 1 51 51 LEU N N 15 0.15 0.0017 . . . . . . . 52365 1 49 . 1 1 52 52 GLU N N 15 0.1876 0.0031 . . . . . . . 52365 1 50 . 1 1 53 53 ASP N N 15 0.1316 0.0017 . . . . . . . 52365 1 51 . 1 1 54 54 GLY N N 15 0.1473 0.0022 . . . . . . . 52365 1 52 . 1 1 55 55 ARG N N 15 0.125 0.0014 . . . . . . . 52365 1 53 . 1 1 56 56 THR N N 15 0.1627 0.0024 . . . . . . . 52365 1 54 . 1 1 57 57 LEU N N 15 0.1315 0.0017 . . . . . . . 52365 1 55 . 1 1 58 58 ALA N N 15 0.1415 0.0011 . . . . . . . 52365 1 56 . 1 1 59 59 ASP N N 15 0.1272 0.0022 . . . . . . . 52365 1 57 . 1 1 60 60 TYR N N 15 0.1389 0.0011 . . . . . . . 52365 1 58 . 1 1 61 61 ASN N N 15 0.1341 0.0021 . . . . . . . 52365 1 59 . 1 1 62 62 ILE N N 15 0.1336 0.0019 . . . . . . . 52365 1 60 . 1 1 63 63 GLN N N 15 0.1609 0.0011 . . . . . . . 52365 1 61 . 1 1 64 64 LYS N N 15 0.1336 0.0014 . . . . . . . 52365 1 62 . 1 1 65 65 GLU N N 15 0.142 0.0006 . . . . . . . 52365 1 63 . 1 1 66 66 SER N N 15 0.1332 0.0012 . . . . . . . 52365 1 64 . 1 1 67 67 THR N N 15 0.1332 0.0017 . . . . . . . 52365 1 65 . 1 1 68 68 LEU N N 15 0.1562 0.0024 . . . . . . . 52365 1 66 . 1 1 69 69 HIS N N 15 0.1359 0.0013 . . . . . . . 52365 1 67 . 1 1 70 70 LEU N N 15 0.1653 0.0014 . . . . . . . 52365 1 68 . 1 1 71 71 VAL N N 15 0.1451 0.003 . . . . . . . 52365 1 69 . 1 1 72 72 LEU N N 15 0.188 0.0025 . . . . . . . 52365 1 70 . 1 1 73 73 ARG N N 15 0.1629 0.0015 . . . . . . . 52365 1 71 . 1 1 74 74 LEU N N 15 0.238 0.0036 . . . . . . . 52365 1 72 . 1 1 75 75 ARG N N 15 0.3048 0.0053 . . . . . . . 52365 1 73 . 1 1 76 76 GLY N N 15 0.5385 0.0201 . . . . . . . 52365 1 74 . 1 1 77 77 GLY N N 15 0.9412 0.0314 . . . . . . . 52365 1 stop_ save_ save_heteronucl_T1rho_relaxation_2 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronucl_T1rho_relaxation_2 _Heteronucl_T1rho_list.Entry_ID 52365 _Heteronucl_T1rho_list.ID 2 _Heteronucl_T1rho_list.Name "F' T1rho 700" _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 700 _Heteronucl_T1rho_list.Temp_calibration_method none _Heteronucl_T1rho_list.Temp_control_method none _Heteronucl_T1rho_list.T1rho_coherence_type I(+,-) _Heteronucl_T1rho_list.T1rho_val_units s _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 19 'T1rho/R1rho relaxation' . . . 52365 2 stop_ loop_ _Heteronucl_T1rho_software.Software_ID _Heteronucl_T1rho_software.Software_label _Heteronucl_T1rho_software.Method_ID _Heteronucl_T1rho_software.Method_label _Heteronucl_T1rho_software.Entry_ID _Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID 7 $software_7 . . 52365 2 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 2 2 MET N N 15 0.1595 0.0019 . . . . . . . 52365 2 2 . 1 1 3 3 GLN N N 15 0.2473 0.0122 . . . . . . . 52365 2 3 . 1 1 4 4 ILE N N 15 0.1882 0.0025 . . . . . . . 52365 2 4 . 1 1 5 5 PHE N N 15 0.1469 0.002 . . . . . . . 52365 2 5 . 1 1 6 6 VAL N N 15 0.1584 0.0037 . . . . . . . 52365 2 6 . 1 1 7 7 LYS N N 15 0.1667 0.0021 . . . . . . . 52365 2 7 . 1 1 8 8 THR N N 15 0.15 0.0018 . . . . . . . 52365 2 8 . 1 1 9 9 LEU N N 15 0.1629 0.0041 . . . . . . . 52365 2 9 . 1 1 10 10 THR N N 15 0.1814 0.0036 . . . . . . . 52365 2 10 . 1 1 11 11 GLY N N 15 0.1926 0.0028 . . . . . . . 52365 2 11 . 1 1 12 12 LYS N N 15 0.1837 0.0016 . . . . . . . 52365 2 12 . 1 1 13 13 THR N N 15 0.1761 0.0014 . . . . . . . 52365 2 13 . 1 1 14 14 ILE N N 15 0.1616 0.0028 . . . . . . . 52365 2 14 . 1 1 15 15 THR N N 15 0.157 0.0027 . . . . . . . 52365 2 15 . 1 1 16 16 LEU N N 15 0.1576 0.0029 . . . . . . . 52365 2 16 . 1 1 17 17 GLU N N 15 0.1408 0.0059 . . . . . . . 52365 2 17 . 1 1 18 18 VAL N N 15 0.1537 0.001 . . . . . . . 52365 2 18 . 1 1 19 19 GLU N N 15 0.1495 0.0023 . . . . . . . 52365 2 19 . 1 1 20 20 SER N N 15 0.1473 0.0018 . . . . . . . 52365 2 20 . 1 1 21 21 SER N N 15 0.1514 0.0011 . . . . . . . 52365 2 21 . 1 1 22 22 ASP N N 15 0.1401 0.0023 . . . . . . . 52365 2 22 . 1 1 23 23 THR N N 15 0.22 0.0051 . . . . . . . 52365 2 23 . 1 1 24 24 ILE N N 15 0.1411 0.0029 . . . . . . . 52365 2 24 . 1 1 25 25 ASP N N 15 0.13 0.0011 . . . . . . . 52365 2 25 . 1 1 26 26 ASN N N 15 0.1446 0.0027 . . . . . . . 52365 2 26 . 1 1 27 27 VAL N N 15 0.1791 0.0022 . . . . . . . 52365 2 27 . 1 1 28 28 LYS N N 15 0.14 0.0022 . . . . . . . 52365 2 28 . 1 1 29 29 ALA N N 15 0.1419 0.0032 . . . . . . . 52365 2 29 . 1 1 30 30 LYS N N 15 0.1479 0.0018 . . . . . . . 52365 2 30 . 1 1 31 31 ILE N N 15 0.1716 0.0038 . . . . . . . 52365 2 31 . 1 1 32 32 GLN N N 15 0.1486 0.0022 . . . . . . . 52365 2 32 . 1 1 33 33 ASP N N 15 0.1449 0.0019 . . . . . . . 52365 2 33 . 1 1 34 34 LYS N N 15 0.1557 0.002 . . . . . . . 52365 2 34 . 1 1 35 35 GLU N N 15 0.159 0.002 . . . . . . . 52365 2 35 . 1 1 36 36 GLY N N 15 0.1518 0.0014 . . . . . . . 52365 2 36 . 1 1 37 37 ILE N N 15 0.1608 0.0019 . . . . . . . 52365 2 37 . 1 1 40 40 ASP N N 15 0.1579 0.0016 . . . . . . . 52365 2 38 . 1 1 41 41 GLN N N 15 0.1478 0.002 . . . . . . . 52365 2 39 . 1 1 42 42 GLN N N 15 0.1535 0.002 . . . . . . . 52365 2 40 . 1 1 43 43 ARG N N 15 0.163 0.0034 . . . . . . . 52365 2 41 . 1 1 44 44 LEU N N 15 0.1611 0.0032 . . . . . . . 52365 2 42 . 1 1 45 45 ILE N N 15 0.1541 0.0026 . . . . . . . 52365 2 43 . 1 1 46 46 PHE N N 15 0.155 0.0023 . . . . . . . 52365 2 44 . 1 1 47 47 ALA N N 15 0.1855 0.0047 . . . . . . . 52365 2 45 . 1 1 48 48 GLY N N 15 0.1964 0.005 . . . . . . . 52365 2 46 . 1 1 49 49 LYS N N 15 0.1467 0.0009 . . . . . . . 52365 2 47 . 1 1 50 50 GLN N N 15 0.1708 0.0038 . . . . . . . 52365 2 48 . 1 1 51 51 LEU N N 15 0.161 0.0026 . . . . . . . 52365 2 49 . 1 1 52 52 GLU N N 15 0.1493 0.0035 . . . . . . . 52365 2 50 . 1 1 53 53 ASP N N 15 0.155 0.0017 . . . . . . . 52365 2 51 . 1 1 54 54 GLY N N 15 0.1175 0.0019 . . . . . . . 52365 2 52 . 1 1 55 55 ARG N N 15 0.1434 0.0016 . . . . . . . 52365 2 53 . 1 1 56 56 THR N N 15 0.1569 0.0029 . . . . . . . 52365 2 54 . 1 1 57 57 LEU N N 15 0.1471 0.0017 . . . . . . . 52365 2 55 . 1 1 58 58 ALA N N 15 0.1859 0.0417 . . . . . . . 52365 2 56 . 1 1 59 59 ASP N N 15 0.1467 0.002 . . . . . . . 52365 2 57 . 1 1 60 60 TYR N N 15 0.1545 0.0017 . . . . . . . 52365 2 58 . 1 1 61 61 ASN N N 15 0.1515 0.0022 . . . . . . . 52365 2 59 . 1 1 62 62 ILE N N 15 0.1479 0.0008 . . . . . . . 52365 2 60 . 1 1 63 63 GLN N N 15 0.1779 0.0023 . . . . . . . 52365 2 61 . 1 1 64 64 LYS N N 15 0.1521 0.0027 . . . . . . . 52365 2 62 . 1 1 65 65 GLU N N 15 0.1564 0.0016 . . . . . . . 52365 2 63 . 1 1 66 66 SER N N 15 0.1494 0.0015 . . . . . . . 52365 2 64 . 1 1 67 67 THR N N 15 0.1575 0.0038 . . . . . . . 52365 2 65 . 1 1 68 68 LEU N N 15 0.1626 0.0029 . . . . . . . 52365 2 66 . 1 1 69 69 HIS N N 15 0.1461 0.003 . . . . . . . 52365 2 67 . 1 1 70 70 LEU N N 15 0.1489 0.0028 . . . . . . . 52365 2 68 . 1 1 71 71 VAL N N 15 0.1462 0.0034 . . . . . . . 52365 2 69 . 1 1 72 72 LEU N N 15 0.186 0.0026 . . . . . . . 52365 2 70 . 1 1 73 73 ARG N N 15 0.1797 0.0031 . . . . . . . 52365 2 71 . 1 1 74 74 LEU N N 15 0.2845 0.0124 . . . . . . . 52365 2 72 . 1 1 75 75 ARG N N 15 0.3404 0.0084 . . . . . . . 52365 2 73 . 1 1 76 76 GLY N N 15 0.6535 0.0198 . . . . . . . 52365 2 74 . 1 1 77 77 GLY N N 15 1.2083 0.0584 . . . . . . . 52365 2 stop_ save_