data_52370 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52370 _Entry.Title ; Chemical shifts, T1, T1rho, RDCs of ubiquitin early folding intermediate U' ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-03-27 _Entry.Accession_date 2024-03-27 _Entry.Last_release_date 2024-03-27 _Entry.Original_release_date 2024-03-27 _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 52370 2 Siddhartha Sarma . P. . 0000-0001-7619-8904 52370 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 1 52370 assigned_chemical_shifts 1 52370 heteronucl_T1_relaxation 2 52370 heteronucl_T1rho_relaxation 2 52370 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 52370 '15N chemical shifts' 73 52370 '1H chemical shifts' 153 52370 'T1 relaxation values' 138 52370 'T1rho relaxation values' 135 52370 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 . . 2024-04-02 . original BMRB . 52370 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52370 _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 . . . . 52370 1 2 Siddhartha Sarma . P. . . 52370 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52370 _Assembly.ID 1 _Assembly.Name 'ubiquitin early folding intermediate' _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 early folding intermediate' 1 $entity_1 . . yes 'partially denatured' yes no . . . 52370 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52370 _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 . . . . . . . . . . . . . . . . 52370 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 . 52370 1 2 . MET . 52370 1 3 . GLN . 52370 1 4 . ILE . 52370 1 5 . PHE . 52370 1 6 . VAL . 52370 1 7 . LYS . 52370 1 8 . THR . 52370 1 9 . LEU . 52370 1 10 . THR . 52370 1 11 . GLY . 52370 1 12 . LYS . 52370 1 13 . THR . 52370 1 14 . ILE . 52370 1 15 . THR . 52370 1 16 . LEU . 52370 1 17 . GLU . 52370 1 18 . VAL . 52370 1 19 . GLU . 52370 1 20 . SER . 52370 1 21 . SER . 52370 1 22 . ASP . 52370 1 23 . THR . 52370 1 24 . ILE . 52370 1 25 . ASP . 52370 1 26 . ASN . 52370 1 27 . VAL . 52370 1 28 . LYS . 52370 1 29 . ALA . 52370 1 30 . LYS . 52370 1 31 . ILE . 52370 1 32 . GLN . 52370 1 33 . ASP . 52370 1 34 . LYS . 52370 1 35 . GLU . 52370 1 36 . GLY . 52370 1 37 . ILE . 52370 1 38 . PRO . 52370 1 39 . PRO . 52370 1 40 . ASP . 52370 1 41 . GLN . 52370 1 42 . GLN . 52370 1 43 . ARG . 52370 1 44 . LEU . 52370 1 45 . ILE . 52370 1 46 . PHE . 52370 1 47 . ALA . 52370 1 48 . GLY . 52370 1 49 . LYS . 52370 1 50 . GLN . 52370 1 51 . LEU . 52370 1 52 . GLU . 52370 1 53 . ASP . 52370 1 54 . GLY . 52370 1 55 . ARG . 52370 1 56 . THR . 52370 1 57 . LEU . 52370 1 58 . ALA . 52370 1 59 . ASP . 52370 1 60 . TYR . 52370 1 61 . ASN . 52370 1 62 . ILE . 52370 1 63 . GLN . 52370 1 64 . LYS . 52370 1 65 . GLU . 52370 1 66 . SER . 52370 1 67 . THR . 52370 1 68 . LEU . 52370 1 69 . HIS . 52370 1 70 . LEU . 52370 1 71 . VAL . 52370 1 72 . LEU . 52370 1 73 . ARG . 52370 1 74 . LEU . 52370 1 75 . ARG . 52370 1 76 . GLY . 52370 1 77 . GLY . 52370 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 52370 1 . MET 2 2 52370 1 . GLN 3 3 52370 1 . ILE 4 4 52370 1 . PHE 5 5 52370 1 . VAL 6 6 52370 1 . LYS 7 7 52370 1 . THR 8 8 52370 1 . LEU 9 9 52370 1 . THR 10 10 52370 1 . GLY 11 11 52370 1 . LYS 12 12 52370 1 . THR 13 13 52370 1 . ILE 14 14 52370 1 . THR 15 15 52370 1 . LEU 16 16 52370 1 . GLU 17 17 52370 1 . VAL 18 18 52370 1 . GLU 19 19 52370 1 . SER 20 20 52370 1 . SER 21 21 52370 1 . ASP 22 22 52370 1 . THR 23 23 52370 1 . ILE 24 24 52370 1 . ASP 25 25 52370 1 . ASN 26 26 52370 1 . VAL 27 27 52370 1 . LYS 28 28 52370 1 . ALA 29 29 52370 1 . LYS 30 30 52370 1 . ILE 31 31 52370 1 . GLN 32 32 52370 1 . ASP 33 33 52370 1 . LYS 34 34 52370 1 . GLU 35 35 52370 1 . GLY 36 36 52370 1 . ILE 37 37 52370 1 . PRO 38 38 52370 1 . PRO 39 39 52370 1 . ASP 40 40 52370 1 . GLN 41 41 52370 1 . GLN 42 42 52370 1 . ARG 43 43 52370 1 . LEU 44 44 52370 1 . ILE 45 45 52370 1 . PHE 46 46 52370 1 . ALA 47 47 52370 1 . GLY 48 48 52370 1 . LYS 49 49 52370 1 . GLN 50 50 52370 1 . LEU 51 51 52370 1 . GLU 52 52 52370 1 . ASP 53 53 52370 1 . GLY 54 54 52370 1 . ARG 55 55 52370 1 . THR 56 56 52370 1 . LEU 57 57 52370 1 . ALA 58 58 52370 1 . ASP 59 59 52370 1 . TYR 60 60 52370 1 . ASN 61 61 52370 1 . ILE 62 62 52370 1 . GLN 63 63 52370 1 . LYS 64 64 52370 1 . GLU 65 65 52370 1 . SER 66 66 52370 1 . THR 67 67 52370 1 . LEU 68 68 52370 1 . HIS 69 69 52370 1 . LEU 70 70 52370 1 . VAL 71 71 52370 1 . LEU 72 72 52370 1 . ARG 73 73 52370 1 . LEU 74 74 52370 1 . ARG 75 75 52370 1 . GLY 76 76 52370 1 . GLY 77 77 52370 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 52370 _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 . . . . . . . . . . . . . 52370 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 52370 _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(+) . . . 52370 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52370 _Sample.ID 1 _Sample.Name osubq_B _Sample.Type solution _Sample.Sub_type . _Sample.Details '2M urea, pH2' _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 . . . 52370 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52370 _Sample.ID 2 _Sample.Name osubq_B_15N _Sample.Type solution _Sample.Sub_type . _Sample.Details '2M urea, pH2' _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 . . . 52370 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52370 _Sample.ID 3 _Sample.Name osubq_B_13C_15N _Sample.Type solution _Sample.Sub_type . _Sample.Details '2M urea, pH2' _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 . . . 52370 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 52370 _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 52370 1 pH 2 . pH 52370 1 pressure 1 . atm 52370 1 temperature 298 . K 52370 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 52370 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'partial denaturing conditions RDC' _Sample_condition_list.Details '2M Urea at pH2 in 6% polyacrylamide gel' 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 52370 2 pH 2 . pH 52370 2 pressure 1 . atm 52370 2 temperature 298 . K 52370 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52370 _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' . 52370 1 'peak picking' . 52370 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52370 _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' . 52370 2 processing . 52370 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52370 _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' . 52370 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52370 _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 . 52370 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 52370 _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 . 52370 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 52370 _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 . 52370 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 52370 _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' . 52370 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 52370 _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 52370 _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 52370 _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 . . . . . . . . . . . . . . . . . 52370 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52370 1 3 'T1/R1 relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52370 1 4 'T1rho/R1rho relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52370 1 5 '3D CBCA(CO)NH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52370 1 6 '3D HNCO' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52370 1 7 '3D HNCACB' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52370 1 8 '3D HN(CA)CO' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52370 1 9 '3D H(CCO)NH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52370 1 10 '3D C(CO)NH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52370 1 11 '2D 1H-15N IPAP HSQC' no no no . . . . . . . . . . 3 $sample_3 anisotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52370 1 12 '2D 1H-15N IPAP HSQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52370 1 13 '3D 1H-15N TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52370 1 14 'T1/R1 relaxation' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52370 1 15 'T1rho/R1rho relaxation' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52370 1 16 '3D HNCO LRA' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 'For detecting hydrogen bonds' 52370 1 17 '3D HNHA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52370 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 52370 _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 . . . . . 52370 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 52370 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 52370 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 52370 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name U' _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' . . . 52370 1 2 '2D 1H-13C HSQC' . . . 52370 1 5 '3D CBCA(CO)NH' . . . 52370 1 6 '3D HNCO' . . . 52370 1 7 '3D HNCACB' . . . 52370 1 8 '3D HN(CA)CO' . . . 52370 1 9 '3D H(CCO)NH' . . . 52370 1 10 '3D C(CO)NH' . . . 52370 1 16 '3D 1H-15N TOCSY' . . . 52370 1 17 '3D HNHA' . . . 52370 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 . . 52370 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 4.047 0.000 . 1 . . . . . 1 MET HA . 52370 1 2 . 1 . 1 1 1 MET C C 13 171.854 0.005 . 1 . . . . . 1 MET C . 52370 1 3 . 1 . 1 1 1 MET CA C 13 54.899 0.022 . 1 . . . . . 1 MET CA . 52370 1 4 . 1 . 1 1 1 MET CB C 13 32.738 0.012 . 1 . . . . . 1 MET CB . 52370 1 5 . 1 . 1 1 1 MET CG C 13 30.612 0.000 . 1 . . . . . 1 MET CG . 52370 1 6 . 1 . 1 2 2 MET H H 1 8.715 0.007 . 1 . . . . . 2 MET HN . 52370 1 7 . 1 . 1 2 2 MET HA H 1 4.416 0.004 . 1 . . . . . 2 MET HA . 52370 1 8 . 1 . 1 2 2 MET HB2 H 1 2.409 0.000 . 2 . . . . . 2 MET QB . 52370 1 9 . 1 . 1 2 2 MET HB3 H 1 2.409 0.000 . 2 . . . . . 2 MET QB . 52370 1 10 . 1 . 1 2 2 MET HG2 H 1 1.892 0.000 . 2 . . . . . 2 MET QG . 52370 1 11 . 1 . 1 2 2 MET HG3 H 1 1.892 0.000 . 2 . . . . . 2 MET QG . 52370 1 12 . 1 . 1 2 2 MET C C 13 174.784 0.002 . 1 . . . . . 2 MET C . 52370 1 13 . 1 . 1 2 2 MET CA C 13 55.376 0.025 . 1 . . . . . 2 MET CA . 52370 1 14 . 1 . 1 2 2 MET CB C 13 33.380 0.010 . 1 . . . . . 2 MET CB . 52370 1 15 . 1 . 1 2 2 MET CG C 13 31.517 0.000 . 1 . . . . . 2 MET CG . 52370 1 16 . 1 . 1 2 2 MET N N 15 123.397 0.034 . 1 . . . . . 2 MET N . 52370 1 17 . 1 . 1 3 3 GLN H H 1 8.377 0.017 . 1 . . . . . 3 GLN HN . 52370 1 18 . 1 . 1 3 3 GLN HA H 1 4.324 0.009 . 1 . . . . . 3 GLN HA . 52370 1 19 . 1 . 1 3 3 GLN C C 13 174.889 0.012 . 1 . . . . . 3 GLN C . 52370 1 20 . 1 . 1 3 3 GLN CA C 13 55.401 0.004 . 1 . . . . . 3 GLN CA . 52370 1 21 . 1 . 1 3 3 GLN CB C 13 29.914 0.038 . 1 . . . . . 3 GLN CB . 52370 1 22 . 1 . 1 3 3 GLN CG C 13 33.793 0.000 . 1 . . . . . 3 GLN CG . 52370 1 23 . 1 . 1 3 3 GLN N N 15 122.950 0.102 . 1 . . . . . 3 GLN N . 52370 1 24 . 1 . 1 4 4 ILE H H 1 8.139 0.008 . 1 . . . . . 4 ILE HN . 52370 1 25 . 1 . 1 4 4 ILE HA H 1 4.078 0.000 . 1 . . . . . 4 ILE HA . 52370 1 26 . 1 . 1 4 4 ILE C C 13 174.958 0.012 . 1 . . . . . 4 ILE C . 52370 1 27 . 1 . 1 4 4 ILE CA C 13 60.350 0.014 . 1 . . . . . 4 ILE CA . 52370 1 28 . 1 . 1 4 4 ILE CB C 13 39.349 0.045 . 1 . . . . . 4 ILE CB . 52370 1 29 . 1 . 1 4 4 ILE CG1 C 13 26.782 0.000 . 1 . . . . . 4 ILE CG1 . 52370 1 30 . 1 . 1 4 4 ILE CG2 C 13 17.334 0.000 . 1 . . . . . 4 ILE CG2 . 52370 1 31 . 1 . 1 4 4 ILE N N 15 121.898 0.025 . 1 . . . . . 4 ILE N . 52370 1 32 . 1 . 1 5 5 PHE H H 1 8.283 0.001 . 1 . . . . . 5 PHE HN . 52370 1 33 . 1 . 1 5 5 PHE HA H 1 4.755 0.000 . 1 . . . . . 5 PHE HA . 52370 1 34 . 1 . 1 5 5 PHE C C 13 175.311 0.006 . 1 . . . . . 5 PHE C . 52370 1 35 . 1 . 1 5 5 PHE CA C 13 56.949 0.002 . 1 . . . . . 5 PHE CA . 52370 1 36 . 1 . 1 5 5 PHE CB C 13 39.873 0.014 . 1 . . . . . 5 PHE CB . 52370 1 37 . 1 . 1 5 5 PHE N N 15 124.169 0.038 . 1 . . . . . 5 PHE N . 52370 1 38 . 1 . 1 6 6 VAL H H 1 8.242 0.002 . 1 . . . . . 6 VAL HN . 52370 1 39 . 1 . 1 6 6 VAL HA H 1 4.042 0.000 . 1 . . . . . 6 VAL HA . 52370 1 40 . 1 . 1 6 6 VAL C C 13 174.996 0.000 . 1 . . . . . 6 VAL C . 52370 1 41 . 1 . 1 6 6 VAL CA C 13 61.500 0.009 . 1 . . . . . 6 VAL CA . 52370 1 42 . 1 . 1 6 6 VAL CB C 13 33.397 0.042 . 1 . . . . . 6 VAL CB . 52370 1 43 . 1 . 1 6 6 VAL CG1 C 13 20.363 0.000 . 2 . . . . . 6 VAL CG1 . 52370 1 44 . 1 . 1 6 6 VAL CG2 C 13 20.948 0.000 . 2 . . . . . 6 VAL CG2 . 52370 1 45 . 1 . 1 6 6 VAL N N 15 122.668 0.033 . 1 . . . . . 6 VAL N . 52370 1 46 . 1 . 1 7 7 LYS H H 1 8.288 0.002 . 1 . . . . . 7 LYS HN . 52370 1 47 . 1 . 1 7 7 LYS HA H 1 4.410 0.000 . 1 . . . . . 7 LYS HA . 52370 1 48 . 1 . 1 7 7 LYS C C 13 176.575 0.019 . 1 . . . . . 7 LYS C . 52370 1 49 . 1 . 1 7 7 LYS CA C 13 55.857 0.031 . 1 . . . . . 7 LYS CA . 52370 1 50 . 1 . 1 7 7 LYS CB C 13 33.218 0.002 . 1 . . . . . 7 LYS CB . 52370 1 51 . 1 . 1 7 7 LYS CG C 13 24.620 0.000 . 1 . . . . . 7 LYS CG . 52370 1 52 . 1 . 1 7 7 LYS CD C 13 29.094 0.000 . 1 . . . . . 7 LYS CD . 52370 1 53 . 1 . 1 7 7 LYS N N 15 125.244 0.033 . 1 . . . . . 7 LYS N . 52370 1 54 . 1 . 1 8 8 THR H H 1 8.225 0.003 . 1 . . . . . 8 THR HN . 52370 1 55 . 1 . 1 8 8 THR HA H 1 4.282 0.000 . 1 . . . . . 8 THR HA . 52370 1 56 . 1 . 1 8 8 THR C C 13 174.818 0.000 . 1 . . . . . 8 THR C . 52370 1 57 . 1 . 1 8 8 THR CA C 13 61.320 0.015 . 1 . . . . . 8 THR CA . 52370 1 58 . 1 . 1 8 8 THR CB C 13 70.152 0.020 . 1 . . . . . 8 THR CB . 52370 1 59 . 1 . 1 8 8 THR CG2 C 13 21.575 0.000 . 1 . . . . . 8 THR CG2 . 52370 1 60 . 1 . 1 8 8 THR N N 15 116.098 0.027 . 1 . . . . . 8 THR N . 52370 1 61 . 1 . 1 9 9 LEU H H 1 8.393 0.022 . 1 . . . . . 9 LEU HN . 52370 1 62 . 1 . 1 9 9 LEU HA H 1 4.241 0.000 . 1 . . . . . 9 LEU HA . 52370 1 63 . 1 . 1 9 9 LEU C C 13 177.540 0.029 . 1 . . . . . 9 LEU C . 52370 1 64 . 1 . 1 9 9 LEU CA C 13 55.645 0.012 . 1 . . . . . 9 LEU CA . 52370 1 65 . 1 . 1 9 9 LEU CB C 13 42.040 0.029 . 1 . . . . . 9 LEU CB . 52370 1 66 . 1 . 1 9 9 LEU CG C 13 26.826 0.000 . 1 . . . . . 9 LEU CG . 52370 1 67 . 1 . 1 9 9 LEU CD1 C 13 24.447 0.000 . 2 . . . . . 9 LEU CD1 . 52370 1 68 . 1 . 1 9 9 LEU CD2 C 13 23.262 0.000 . 2 . . . . . 9 LEU CD2 . 52370 1 69 . 1 . 1 9 9 LEU N N 15 123.997 0.141 . 1 . . . . . 9 LEU N . 52370 1 70 . 1 . 1 10 10 THR H H 1 7.860 0.001 . 1 . . . . . 10 THR HN . 52370 1 71 . 1 . 1 10 10 THR HA H 1 4.224 0.000 . 1 . . . . . 10 THR HA . 52370 1 72 . 1 . 1 10 10 THR C C 13 174.942 0.000 . 1 . . . . . 10 THR C . 52370 1 73 . 1 . 1 10 10 THR CA C 13 61.517 0.011 . 1 . . . . . 10 THR CA . 52370 1 74 . 1 . 1 10 10 THR CB C 13 69.583 0.022 . 1 . . . . . 10 THR CB . 52370 1 75 . 1 . 1 10 10 THR CG2 C 13 21.475 0.000 . 1 . . . . . 10 THR CG2 . 52370 1 76 . 1 . 1 10 10 THR N N 15 112.037 0.029 . 1 . . . . . 10 THR N . 52370 1 77 . 1 . 1 11 11 GLY H H 1 8.133 0.014 . 1 . . . . . 11 GLY HN . 52370 1 78 . 1 . 1 11 11 GLY HA2 H 1 3.736 0.000 . 2 . . . . . 11 GLY HA1 . 52370 1 79 . 1 . 1 11 11 GLY HA3 H 1 3.930 0.000 . 2 . . . . . 11 GLY HA2 . 52370 1 80 . 1 . 1 11 11 GLY C C 13 173.758 0.011 . 1 . . . . . 11 GLY C . 52370 1 81 . 1 . 1 11 11 GLY CA C 13 45.127 0.021 . 1 . . . . . 11 GLY CA . 52370 1 82 . 1 . 1 11 11 GLY N N 15 110.660 0.069 . 1 . . . . . 11 GLY N . 52370 1 83 . 1 . 1 12 12 LYS H H 1 7.847 0.002 . 1 . . . . . 12 LYS HN . 52370 1 84 . 1 . 1 12 12 LYS HA H 1 4.274 0.000 . 1 . . . . . 12 LYS HA . 52370 1 85 . 1 . 1 12 12 LYS C C 13 176.315 0.017 . 1 . . . . . 12 LYS C . 52370 1 86 . 1 . 1 12 12 LYS CA C 13 55.884 0.010 . 1 . . . . . 12 LYS CA . 52370 1 87 . 1 . 1 12 12 LYS CB C 13 33.120 0.006 . 1 . . . . . 12 LYS CB . 52370 1 88 . 1 . 1 12 12 LYS CG C 13 24.625 0.000 . 1 . . . . . 12 LYS CG . 52370 1 89 . 1 . 1 12 12 LYS CD C 13 28.808 0.000 . 1 . . . . . 12 LYS CD . 52370 1 90 . 1 . 1 12 12 LYS N N 15 120.815 0.054 . 1 . . . . . 12 LYS N . 52370 1 91 . 1 . 1 13 13 THR H H 1 8.216 0.002 . 1 . . . . . 13 THR HN . 52370 1 92 . 1 . 1 13 13 THR HA H 1 4.381 0.000 . 1 . . . . . 13 THR HA . 52370 1 93 . 1 . 1 13 13 THR C C 13 174.178 0.000 . 1 . . . . . 13 THR C . 52370 1 94 . 1 . 1 13 13 THR CA C 13 62.022 0.010 . 1 . . . . . 13 THR CA . 52370 1 95 . 1 . 1 13 13 THR CB C 13 69.703 0.046 . 1 . . . . . 13 THR CB . 52370 1 96 . 1 . 1 13 13 THR CG2 C 13 21.646 0.000 . 1 . . . . . 13 THR CG2 . 52370 1 97 . 1 . 1 13 13 THR N N 15 117.208 0.043 . 1 . . . . . 13 THR N . 52370 1 98 . 1 . 1 14 14 ILE H H 1 8.409 0.002 . 1 . . . . . 14 ILE HN . 52370 1 99 . 1 . 1 14 14 ILE HA H 1 4.220 0.000 . 1 . . . . . 14 ILE HA . 52370 1 100 . 1 . 1 14 14 ILE C C 13 175.525 0.000 . 1 . . . . . 14 ILE C . 52370 1 101 . 1 . 1 14 14 ILE CA C 13 60.590 0.018 . 1 . . . . . 14 ILE CA . 52370 1 102 . 1 . 1 14 14 ILE CB C 13 39.253 0.036 . 1 . . . . . 14 ILE CB . 52370 1 103 . 1 . 1 14 14 ILE CG1 C 13 26.867 0.000 . 1 . . . . . 14 ILE CG1 . 52370 1 104 . 1 . 1 14 14 ILE CG2 C 13 17.251 0.000 . 1 . . . . . 14 ILE CG2 . 52370 1 105 . 1 . 1 14 14 ILE N N 15 124.282 0.025 . 1 . . . . . 14 ILE N . 52370 1 106 . 1 . 1 15 15 THR H H 1 8.140 0.002 . 1 . . . . . 15 THR HN . 52370 1 107 . 1 . 1 15 15 THR HA H 1 4.357 0.000 . 1 . . . . . 15 THR HA . 52370 1 108 . 1 . 1 15 15 THR C C 13 173.882 0.000 . 1 . . . . . 15 THR C . 52370 1 109 . 1 . 1 15 15 THR CA C 13 61.518 0.010 . 1 . . . . . 15 THR CA . 52370 1 110 . 1 . 1 15 15 THR CB C 13 69.714 0.033 . 1 . . . . . 15 THR CB . 52370 1 111 . 1 . 1 15 15 THR CG2 C 13 21.533 0.000 . 1 . . . . . 15 THR CG2 . 52370 1 112 . 1 . 1 15 15 THR N N 15 118.863 0.028 . 1 . . . . . 15 THR N . 52370 1 113 . 1 . 1 16 16 LEU H H 1 8.313 0.002 . 1 . . . . . 16 LEU HN . 52370 1 114 . 1 . 1 16 16 LEU HA H 1 4.303 0.000 . 1 . . . . . 16 LEU HA . 52370 1 115 . 1 . 1 16 16 LEU C C 13 176.489 0.007 . 1 . . . . . 16 LEU C . 52370 1 116 . 1 . 1 16 16 LEU CA C 13 54.666 0.004 . 1 . . . . . 16 LEU CA . 52370 1 117 . 1 . 1 16 16 LEU CB C 13 42.909 0.006 . 1 . . . . . 16 LEU CB . 52370 1 118 . 1 . 1 16 16 LEU CG C 13 26.848 0.000 . 1 . . . . . 16 LEU CG . 52370 1 119 . 1 . 1 16 16 LEU CD1 C 13 23.564 0.000 . 2 . . . . . 16 LEU CD1 . 52370 1 120 . 1 . 1 16 16 LEU CD2 C 13 23.564 0.000 . 2 . . . . . 16 LEU CD2 . 52370 1 121 . 1 . 1 16 16 LEU N N 15 125.531 0.013 . 1 . . . . . 16 LEU N . 52370 1 122 . 1 . 1 17 17 GLU H H 1 8.238 0.001 . 1 . . . . . 17 GLU HN . 52370 1 123 . 1 . 1 17 17 GLU HA H 1 4.392 0.000 . 1 . . . . . 17 GLU HA . 52370 1 124 . 1 . 1 17 17 GLU C C 13 175.651 0.002 . 1 . . . . . 17 GLU C . 52370 1 125 . 1 . 1 17 17 GLU CA C 13 55.183 0.038 . 1 . . . . . 17 GLU CA . 52370 1 126 . 1 . 1 17 17 GLU CB C 13 28.713 0.019 . 1 . . . . . 17 GLU CB . 52370 1 127 . 1 . 1 17 17 GLU CG C 13 32.473 0.000 . 1 . . . . . 17 GLU CG . 52370 1 128 . 1 . 1 17 17 GLU N N 15 121.479 0.050 . 1 . . . . . 17 GLU N . 52370 1 129 . 1 . 1 18 18 VAL H H 1 8.196 0.002 . 1 . . . . . 18 VAL HN . 52370 1 130 . 1 . 1 18 18 VAL HA H 1 4.050 0.000 . 1 . . . . . 18 VAL HA . 52370 1 131 . 1 . 1 18 18 VAL C C 13 175.809 0.000 . 1 . . . . . 18 VAL C . 52370 1 132 . 1 . 1 18 18 VAL CA C 13 61.897 0.043 . 1 . . . . . 18 VAL CA . 52370 1 133 . 1 . 1 18 18 VAL CB C 13 32.961 0.009 . 1 . . . . . 18 VAL CB . 52370 1 134 . 1 . 1 18 18 VAL CG1 C 13 20.988 0.000 . 2 . . . . . 18 VAL CG1 . 52370 1 135 . 1 . 1 18 18 VAL CG2 C 13 20.290 0.000 . 2 . . . . . 18 VAL CG2 . 52370 1 136 . 1 . 1 18 18 VAL N N 15 121.374 0.020 . 1 . . . . . 18 VAL N . 52370 1 137 . 1 . 1 19 19 GLU H H 1 8.339 0.003 . 1 . . . . . 19 GLU HN . 52370 1 138 . 1 . 1 19 19 GLU HA H 1 4.307 0.000 . 1 . . . . . 19 GLU HA . 52370 1 139 . 1 . 1 19 19 GLU C C 13 175.894 0.005 . 1 . . . . . 19 GLU C . 52370 1 140 . 1 . 1 19 19 GLU CA C 13 55.469 0.025 . 1 . . . . . 19 GLU CA . 52370 1 141 . 1 . 1 19 19 GLU CB C 13 28.656 0.000 . 1 . . . . . 19 GLU CB . 52370 1 142 . 1 . 1 19 19 GLU CG C 13 32.382 0.000 . 1 . . . . . 19 GLU CG . 52370 1 143 . 1 . 1 19 19 GLU N N 15 123.630 0.034 . 1 . . . . . 19 GLU N . 52370 1 144 . 1 . 1 20 20 SER H H 1 8.253 0.002 . 1 . . . . . 20 SER HN . 52370 1 145 . 1 . 1 20 20 SER C C 13 174.382 0.000 . 1 . . . . . 20 SER C . 52370 1 146 . 1 . 1 20 20 SER CA C 13 58.239 0.023 . 1 . . . . . 20 SER CA . 52370 1 147 . 1 . 1 20 20 SER CB C 13 63.788 0.051 . 1 . . . . . 20 SER CB . 52370 1 148 . 1 . 1 20 20 SER N N 15 116.941 0.011 . 1 . . . . . 20 SER N . 52370 1 149 . 1 . 1 21 21 SER H H 1 8.255 0.010 . 1 . . . . . 21 SER HN . 52370 1 150 . 1 . 1 21 21 SER HA H 1 4.337 0.000 . 1 . . . . . 21 SER HA . 52370 1 151 . 1 . 1 21 21 SER C C 13 174.234 0.000 . 1 . . . . . 21 SER C . 52370 1 152 . 1 . 1 21 21 SER CA C 13 58.379 0.018 . 1 . . . . . 21 SER CA . 52370 1 153 . 1 . 1 21 21 SER CB C 13 63.592 0.046 . 1 . . . . . 21 SER CB . 52370 1 154 . 1 . 1 21 21 SER N N 15 117.335 0.157 . 1 . . . . . 21 SER N . 52370 1 155 . 1 . 1 22 22 ASP H H 1 8.344 0.003 . 1 . . . . . 22 ASP HN . 52370 1 156 . 1 . 1 22 22 ASP HA H 1 4.661 0.000 . 1 . . . . . 22 ASP HA . 52370 1 157 . 1 . 1 22 22 ASP C C 13 175.107 0.005 . 1 . . . . . 22 ASP C . 52370 1 158 . 1 . 1 22 22 ASP CA C 13 52.909 0.014 . 1 . . . . . 22 ASP CA . 52370 1 159 . 1 . 1 22 22 ASP CB C 13 37.803 0.038 . 1 . . . . . 22 ASP CB . 52370 1 160 . 1 . 1 22 22 ASP N N 15 120.665 0.025 . 1 . . . . . 22 ASP N . 52370 1 161 . 1 . 1 23 23 THR H H 1 7.956 0.004 . 1 . . . . . 23 THR HN . 52370 1 162 . 1 . 1 23 23 THR HA H 1 4.190 0.000 . 1 . . . . . 23 THR HA . 52370 1 163 . 1 . 1 23 23 THR C C 13 174.423 0.000 . 1 . . . . . 23 THR C . 52370 1 164 . 1 . 1 23 23 THR CA C 13 62.016 0.006 . 1 . . . . . 23 THR CA . 52370 1 165 . 1 . 1 23 23 THR CB C 13 69.552 0.012 . 1 . . . . . 23 THR CB . 52370 1 166 . 1 . 1 23 23 THR CG2 C 13 21.443 0.000 . 1 . . . . . 23 THR CG2 . 52370 1 167 . 1 . 1 23 23 THR N N 15 114.501 0.067 . 1 . . . . . 23 THR N . 52370 1 168 . 1 . 1 24 24 ILE H H 1 7.923 0.004 . 1 . . . . . 24 ILE HN . 52370 1 169 . 1 . 1 24 24 ILE HA H 1 4.010 0.000 . 1 . . . . . 24 ILE HA . 52370 1 170 . 1 . 1 24 24 ILE C C 13 175.696 0.018 . 1 . . . . . 24 ILE C . 52370 1 171 . 1 . 1 24 24 ILE CA C 13 61.229 0.042 . 1 . . . . . 24 ILE CA . 52370 1 172 . 1 . 1 24 24 ILE CB C 13 38.488 0.023 . 1 . . . . . 24 ILE CB . 52370 1 173 . 1 . 1 24 24 ILE CG1 C 13 27.237 0.000 . 1 . . . . . 24 ILE CG1 . 52370 1 174 . 1 . 1 24 24 ILE CG2 C 13 17.169 0.000 . 1 . . . . . 24 ILE CG2 . 52370 1 175 . 1 . 1 24 24 ILE N N 15 122.465 0.064 . 1 . . . . . 24 ILE N . 52370 1 176 . 1 . 1 25 25 ASP H H 1 8.334 0.018 . 1 . . . . . 25 ASP HN . 52370 1 177 . 1 . 1 25 25 ASP HA H 1 4.584 0.000 . 1 . . . . . 25 ASP HA . 52370 1 178 . 1 . 1 25 25 ASP C C 13 174.527 0.004 . 1 . . . . . 25 ASP C . 52370 1 179 . 1 . 1 25 25 ASP CA C 13 52.729 0.036 . 1 . . . . . 25 ASP CA . 52370 1 180 . 1 . 1 25 25 ASP CB C 13 37.841 0.034 . 1 . . . . . 25 ASP CB . 52370 1 181 . 1 . 1 25 25 ASP N N 15 122.195 0.123 . 1 . . . . . 25 ASP N . 52370 1 182 . 1 . 1 26 26 ASN H H 1 8.230 0.002 . 1 . . . . . 26 ASN HN . 52370 1 183 . 1 . 1 26 26 ASN HA H 1 4.574 0.000 . 1 . . . . . 26 ASN HA . 52370 1 184 . 1 . 1 26 26 ASN C C 13 174.969 0.000 . 1 . . . . . 26 ASN C . 52370 1 185 . 1 . 1 26 26 ASN CA C 13 53.127 0.020 . 1 . . . . . 26 ASN CA . 52370 1 186 . 1 . 1 26 26 ASN CB C 13 38.522 0.024 . 1 . . . . . 26 ASN CB . 52370 1 187 . 1 . 1 26 26 ASN N N 15 119.956 0.021 . 1 . . . . . 26 ASN N . 52370 1 188 . 1 . 1 27 27 VAL H H 1 7.861 0.002 . 1 . . . . . 27 VAL HN . 52370 1 189 . 1 . 1 27 27 VAL HA H 1 3.916 0.000 . 1 . . . . . 27 VAL HA . 52370 1 190 . 1 . 1 27 27 VAL C C 13 176.085 0.005 . 1 . . . . . 27 VAL C . 52370 1 191 . 1 . 1 27 27 VAL CA C 13 62.631 0.072 . 1 . . . . . 27 VAL CA . 52370 1 192 . 1 . 1 27 27 VAL CB C 13 32.358 0.017 . 1 . . . . . 27 VAL CB . 52370 1 193 . 1 . 1 27 27 VAL CG1 C 13 20.590 0.000 . 2 . . . . . 27 VAL CG1 . 52370 1 194 . 1 . 1 27 27 VAL CG2 C 13 20.590 0.000 . 2 . . . . . 27 VAL CG2 . 52370 1 195 . 1 . 1 27 27 VAL N N 15 120.328 0.018 . 1 . . . . . 27 VAL N . 52370 1 196 . 1 . 1 28 28 LYS H H 1 8.160 0.002 . 1 . . . . . 28 LYS HN . 52370 1 197 . 1 . 1 28 28 LYS HA H 1 4.156 0.000 . 1 . . . . . 28 LYS HA . 52370 1 198 . 1 . 1 28 28 LYS C C 13 176.197 0.014 . 1 . . . . . 28 LYS C . 52370 1 199 . 1 . 1 28 28 LYS CA C 13 56.307 0.031 . 1 . . . . . 28 LYS CA . 52370 1 200 . 1 . 1 28 28 LYS CB C 13 32.672 0.023 . 1 . . . . . 28 LYS CB . 52370 1 201 . 1 . 1 28 28 LYS CG C 13 24.847 0.000 . 1 . . . . . 28 LYS CG . 52370 1 202 . 1 . 1 28 28 LYS CD C 13 28.925 0.000 . 1 . . . . . 28 LYS CD . 52370 1 203 . 1 . 1 28 28 LYS N N 15 124.515 0.033 . 1 . . . . . 28 LYS N . 52370 1 204 . 1 . 1 29 29 ALA H H 1 8.019 0.002 . 1 . . . . . 29 ALA HN . 52370 1 205 . 1 . 1 29 29 ALA HA H 1 4.123 0.000 . 1 . . . . . 29 ALA HA . 52370 1 206 . 1 . 1 29 29 ALA C C 13 177.461 0.010 . 1 . . . . . 29 ALA C . 52370 1 207 . 1 . 1 29 29 ALA CA C 13 52.353 0.004 . 1 . . . . . 29 ALA CA . 52370 1 208 . 1 . 1 29 29 ALA CB C 13 19.095 0.018 . 1 . . . . . 29 ALA CB . 52370 1 209 . 1 . 1 29 29 ALA N N 15 124.822 0.026 . 1 . . . . . 29 ALA N . 52370 1 210 . 1 . 1 30 30 LYS H H 1 8.109 0.003 . 1 . . . . . 30 LYS HN . 52370 1 211 . 1 . 1 30 30 LYS HA H 1 4.132 0.000 . 1 . . . . . 30 LYS HA . 52370 1 212 . 1 . 1 30 30 LYS C C 13 176.524 0.008 . 1 . . . . . 30 LYS C . 52370 1 213 . 1 . 1 30 30 LYS CA C 13 56.349 0.014 . 1 . . . . . 30 LYS CA . 52370 1 214 . 1 . 1 30 30 LYS CB C 13 32.763 0.020 . 1 . . . . . 30 LYS CB . 52370 1 215 . 1 . 1 30 30 LYS CG C 13 24.737 0.000 . 1 . . . . . 30 LYS CG . 52370 1 216 . 1 . 1 30 30 LYS CD C 13 28.987 0.000 . 1 . . . . . 30 LYS CD . 52370 1 217 . 1 . 1 30 30 LYS N N 15 120.798 0.023 . 1 . . . . . 30 LYS N . 52370 1 218 . 1 . 1 31 31 ILE H H 1 8.009 0.002 . 1 . . . . . 31 ILE HN . 52370 1 219 . 1 . 1 31 31 ILE HA H 1 3.983 0.000 . 1 . . . . . 31 ILE HA . 52370 1 220 . 1 . 1 31 31 ILE C C 13 176.076 0.001 . 1 . . . . . 31 ILE C . 52370 1 221 . 1 . 1 31 31 ILE CA C 13 61.046 0.018 . 1 . . . . . 31 ILE CA . 52370 1 222 . 1 . 1 31 31 ILE CB C 13 38.478 0.012 . 1 . . . . . 31 ILE CB . 52370 1 223 . 1 . 1 31 31 ILE CG1 C 13 27.198 0.000 . 1 . . . . . 31 ILE CG1 . 52370 1 224 . 1 . 1 31 31 ILE CG2 C 13 17.369 0.000 . 1 . . . . . 31 ILE CG2 . 52370 1 225 . 1 . 1 31 31 ILE N N 15 122.291 0.024 . 1 . . . . . 31 ILE N . 52370 1 226 . 1 . 1 32 32 GLN H H 1 8.342 0.002 . 1 . . . . . 32 GLN HN . 52370 1 227 . 1 . 1 32 32 GLN HA H 1 4.200 0.000 . 1 . . . . . 32 GLN HA . 52370 1 228 . 1 . 1 32 32 GLN C C 13 175.365 0.023 . 1 . . . . . 32 GLN C . 52370 1 229 . 1 . 1 32 32 GLN CA C 13 55.666 0.014 . 1 . . . . . 32 GLN CA . 52370 1 230 . 1 . 1 32 32 GLN CB C 13 29.326 0.058 . 1 . . . . . 32 GLN CB . 52370 1 231 . 1 . 1 32 32 GLN CG C 13 33.595 0.000 . 1 . . . . . 32 GLN CG . 52370 1 232 . 1 . 1 32 32 GLN N N 15 124.394 0.146 . 1 . . . . . 32 GLN N . 52370 1 233 . 1 . 1 33 33 ASP H H 1 8.364 0.003 . 1 . . . . . 33 ASP HN . 52370 1 234 . 1 . 1 33 33 ASP HA H 1 4.575 0.000 . 1 . . . . . 33 ASP HA . 52370 1 235 . 1 . 1 33 33 ASP C C 13 174.885 0.004 . 1 . . . . . 33 ASP C . 52370 1 236 . 1 . 1 33 33 ASP CA C 13 52.821 0.019 . 1 . . . . . 33 ASP CA . 52370 1 237 . 1 . 1 33 33 ASP CB C 13 37.894 0.031 . 1 . . . . . 33 ASP CB . 52370 1 238 . 1 . 1 33 33 ASP N N 15 120.519 0.206 . 1 . . . . . 33 ASP N . 52370 1 239 . 1 . 1 34 34 LYS H H 1 8.245 0.003 . 1 . . . . . 34 LYS HN . 52370 1 240 . 1 . 1 34 34 LYS HA H 1 4.155 0.000 . 1 . . . . . 34 LYS HA . 52370 1 241 . 1 . 1 34 34 LYS C C 13 176.243 0.020 . 1 . . . . . 34 LYS C . 52370 1 242 . 1 . 1 34 34 LYS CA C 13 56.557 0.028 . 1 . . . . . 34 LYS CA . 52370 1 243 . 1 . 1 34 34 LYS CB C 13 32.672 0.011 . 1 . . . . . 34 LYS CB . 52370 1 244 . 1 . 1 34 34 LYS CG C 13 24.634 0.000 . 1 . . . . . 34 LYS CG . 52370 1 245 . 1 . 1 34 34 LYS N N 15 122.100 0.039 . 1 . . . . . 34 LYS N . 52370 1 246 . 1 . 1 35 35 GLU H H 1 8.162 0.001 . 1 . . . . . 35 GLU HN . 52370 1 247 . 1 . 1 35 35 GLU HA H 1 4.222 0.000 . 1 . . . . . 35 GLU HA . 52370 1 248 . 1 . 1 35 35 GLU C C 13 176.170 0.008 . 1 . . . . . 35 GLU C . 52370 1 249 . 1 . 1 35 35 GLU CA C 13 55.698 0.007 . 1 . . . . . 35 GLU CA . 52370 1 250 . 1 . 1 35 35 GLU CB C 13 28.686 0.018 . 1 . . . . . 35 GLU CB . 52370 1 251 . 1 . 1 35 35 GLU CG C 13 32.526 0.000 . 1 . . . . . 35 GLU CG . 52370 1 252 . 1 . 1 35 35 GLU N N 15 120.555 0.027 . 1 . . . . . 35 GLU N . 52370 1 253 . 1 . 1 36 36 GLY H H 1 8.194 0.002 . 1 . . . . . 36 GLY HN . 52370 1 254 . 1 . 1 36 36 GLY HA2 H 1 3.774 0.000 . 2 . . . . . 36 GLY HA1 . 52370 1 255 . 1 . 1 36 36 GLY HA3 H 1 3.816 0.000 . 2 . . . . . 36 GLY HA2 . 52370 1 256 . 1 . 1 36 36 GLY C C 13 173.317 0.013 . 1 . . . . . 36 GLY C . 52370 1 257 . 1 . 1 36 36 GLY CA C 13 44.911 0.051 . 1 . . . . . 36 GLY CA . 52370 1 258 . 1 . 1 36 36 GLY N N 15 109.724 0.028 . 1 . . . . . 36 GLY N . 52370 1 259 . 1 . 1 37 37 ILE H H 1 7.872 0.003 . 1 . . . . . 37 ILE HN . 52370 1 260 . 1 . 1 37 37 ILE HA H 1 4.320 0.000 . 1 . . . . . 37 ILE HA . 52370 1 261 . 1 . 1 37 37 ILE C C 13 174.100 0.000 . 1 . . . . . 37 ILE C . 52370 1 262 . 1 . 1 37 37 ILE CA C 13 58.320 0.000 . 1 . . . . . 37 ILE CA . 52370 1 263 . 1 . 1 37 37 ILE CB C 13 38.744 0.000 . 1 . . . . . 37 ILE CB . 52370 1 264 . 1 . 1 37 37 ILE N N 15 121.564 0.042 . 1 . . . . . 37 ILE N . 52370 1 265 . 1 . 1 39 39 PRO C C 13 176.957 0.010 . 1 . . . . . 39 PRO C . 52370 1 266 . 1 . 1 39 39 PRO CA C 13 63.440 0.002 . 1 . . . . . 39 PRO CA . 52370 1 267 . 1 . 1 39 39 PRO CB C 13 31.937 0.020 . 1 . . . . . 39 PRO CB . 52370 1 268 . 1 . 1 39 39 PRO CG C 13 27.165 0.000 . 1 . . . . . 39 PRO CG . 52370 1 269 . 1 . 1 40 40 ASP H H 1 8.379 0.002 . 1 . . . . . 40 ASP HN . 52370 1 270 . 1 . 1 40 40 ASP HA H 1 4.483 0.000 . 1 . . . . . 40 ASP HA . 52370 1 271 . 1 . 1 40 40 ASP C C 13 175.301 0.001 . 1 . . . . . 40 ASP C . 52370 1 272 . 1 . 1 40 40 ASP CA C 13 53.110 0.000 . 1 . . . . . 40 ASP CA . 52370 1 273 . 1 . 1 40 40 ASP CB C 13 37.419 0.032 . 1 . . . . . 40 ASP CB . 52370 1 274 . 1 . 1 40 40 ASP N N 15 117.047 0.022 . 1 . . . . . 40 ASP N . 52370 1 275 . 1 . 1 41 41 GLN H H 1 8.159 0.001 . 1 . . . . . 41 GLN HN . 52370 1 276 . 1 . 1 41 41 GLN HA H 1 4.183 0.000 . 1 . . . . . 41 GLN HA . 52370 1 277 . 1 . 1 41 41 GLN C C 13 175.869 0.003 . 1 . . . . . 41 GLN C . 52370 1 278 . 1 . 1 41 41 GLN CA C 13 56.076 0.007 . 1 . . . . . 41 GLN CA . 52370 1 279 . 1 . 1 41 41 GLN CB C 13 29.262 0.007 . 1 . . . . . 41 GLN CB . 52370 1 280 . 1 . 1 41 41 GLN CG C 13 33.653 0.000 . 1 . . . . . 41 GLN CG . 52370 1 281 . 1 . 1 41 41 GLN N N 15 120.412 0.013 . 1 . . . . . 41 GLN N . 52370 1 282 . 1 . 1 42 42 GLN H H 1 8.088 0.002 . 1 . . . . . 42 GLN HN . 52370 1 283 . 1 . 1 42 42 GLN HA H 1 4.106 0.000 . 1 . . . . . 42 GLN HA . 52370 1 284 . 1 . 1 42 42 GLN C C 13 175.746 0.002 . 1 . . . . . 42 GLN C . 52370 1 285 . 1 . 1 42 42 GLN CA C 13 56.340 0.020 . 1 . . . . . 42 GLN CA . 52370 1 286 . 1 . 1 42 42 GLN CB C 13 29.120 0.007 . 1 . . . . . 42 GLN CB . 52370 1 287 . 1 . 1 42 42 GLN CG C 13 33.680 0.000 . 1 . . . . . 42 GLN CG . 52370 1 288 . 1 . 1 42 42 GLN N N 15 120.874 0.012 . 1 . . . . . 42 GLN N . 52370 1 289 . 1 . 1 43 43 ARG H H 1 8.130 0.002 . 1 . . . . . 43 ARG HN . 52370 1 290 . 1 . 1 43 43 ARG HA H 1 4.170 0.000 . 1 . . . . . 43 ARG HA . 52370 1 291 . 1 . 1 43 43 ARG C C 13 175.854 0.001 . 1 . . . . . 43 ARG C . 52370 1 292 . 1 . 1 43 43 ARG CA C 13 56.157 0.025 . 1 . . . . . 43 ARG CA . 52370 1 293 . 1 . 1 43 43 ARG CB C 13 30.539 0.005 . 1 . . . . . 43 ARG CB . 52370 1 294 . 1 . 1 43 43 ARG CG C 13 27.013 0.000 . 1 . . . . . 43 ARG CG . 52370 1 295 . 1 . 1 43 43 ARG CD C 13 43.214 0.000 . 1 . . . . . 43 ARG CD . 52370 1 296 . 1 . 1 43 43 ARG N N 15 121.409 0.053 . 1 . . . . . 43 ARG N . 52370 1 297 . 1 . 1 44 44 LEU H H 1 8.030 0.003 . 1 . . . . . 44 LEU HN . 52370 1 298 . 1 . 1 44 44 LEU HA H 1 4.176 0.000 . 1 . . . . . 44 LEU HA . 52370 1 299 . 1 . 1 44 44 LEU C C 13 176.724 0.015 . 1 . . . . . 44 LEU C . 52370 1 300 . 1 . 1 44 44 LEU CA C 13 55.015 0.020 . 1 . . . . . 44 LEU CA . 52370 1 301 . 1 . 1 44 44 LEU CB C 13 42.129 0.040 . 1 . . . . . 44 LEU CB . 52370 1 302 . 1 . 1 44 44 LEU CG C 13 26.763 0.000 . 1 . . . . . 44 LEU CG . 52370 1 303 . 1 . 1 44 44 LEU CD1 C 13 24.621 0.000 . 2 . . . . . 44 LEU CD1 . 52370 1 304 . 1 . 1 44 44 LEU CD2 C 13 23.320 0.000 . 2 . . . . . 44 LEU CD2 . 52370 1 305 . 1 . 1 44 44 LEU N N 15 123.145 0.087 . 1 . . . . . 44 LEU N . 52370 1 306 . 1 . 1 45 45 ILE H H 1 7.868 0.015 . 1 . . . . . 45 ILE HN . 52370 1 307 . 1 . 1 45 45 ILE HA H 1 3.956 0.000 . 1 . . . . . 45 ILE HA . 52370 1 308 . 1 . 1 45 45 ILE C C 13 175.732 0.008 . 1 . . . . . 45 ILE C . 52370 1 309 . 1 . 1 45 45 ILE CA C 13 60.924 0.017 . 1 . . . . . 45 ILE CA . 52370 1 310 . 1 . 1 45 45 ILE CB C 13 38.534 0.027 . 1 . . . . . 45 ILE CB . 52370 1 311 . 1 . 1 45 45 ILE CG1 C 13 26.975 0.000 . 1 . . . . . 45 ILE CG1 . 52370 1 312 . 1 . 1 45 45 ILE CG2 C 13 17.025 0.000 . 1 . . . . . 45 ILE CG2 . 52370 1 313 . 1 . 1 45 45 ILE N N 15 121.530 0.103 . 1 . . . . . 45 ILE N . 52370 1 314 . 1 . 1 46 46 PHE H H 1 8.187 0.002 . 1 . . . . . 46 PHE HN . 52370 1 315 . 1 . 1 46 46 PHE HA H 1 4.499 0.000 . 1 . . . . . 46 PHE HA . 52370 1 316 . 1 . 1 46 46 PHE C C 13 175.169 0.005 . 1 . . . . . 46 PHE C . 52370 1 317 . 1 . 1 46 46 PHE CA C 13 57.335 0.015 . 1 . . . . . 46 PHE CA . 52370 1 318 . 1 . 1 46 46 PHE CB C 13 39.488 0.004 . 1 . . . . . 46 PHE CB . 52370 1 319 . 1 . 1 46 46 PHE N N 15 124.251 0.024 . 1 . . . . . 46 PHE N . 52370 1 320 . 1 . 1 47 47 ALA H H 1 8.138 0.002 . 1 . . . . . 47 ALA HN . 52370 1 321 . 1 . 1 47 47 ALA HA H 1 4.169 0.000 . 1 . . . . . 47 ALA HA . 52370 1 322 . 1 . 1 47 47 ALA C C 13 177.584 0.008 . 1 . . . . . 47 ALA C . 52370 1 323 . 1 . 1 47 47 ALA CA C 13 52.290 0.046 . 1 . . . . . 47 ALA CA . 52370 1 324 . 1 . 1 47 47 ALA CB C 13 19.099 0.052 . 1 . . . . . 47 ALA CB . 52370 1 325 . 1 . 1 47 47 ALA N N 15 126.053 0.020 . 1 . . . . . 47 ALA N . 52370 1 326 . 1 . 1 48 48 GLY H H 1 7.763 0.001 . 1 . . . . . 48 GLY HN . 52370 1 327 . 1 . 1 48 48 GLY HA2 H 1 3.769 0.000 . 2 . . . . . 48 GLY QA . 52370 1 328 . 1 . 1 48 48 GLY HA3 H 1 3.769 0.000 . 2 . . . . . 48 GLY QA . 52370 1 329 . 1 . 1 48 48 GLY C C 13 173.898 0.007 . 1 . . . . . 48 GLY C . 52370 1 330 . 1 . 1 48 48 GLY CA C 13 45.134 0.008 . 1 . . . . . 48 GLY CA . 52370 1 331 . 1 . 1 48 48 GLY N N 15 107.433 0.018 . 1 . . . . . 48 GLY N . 52370 1 332 . 1 . 1 49 49 LYS H H 1 8.033 0.003 . 1 . . . . . 49 LYS HN . 52370 1 333 . 1 . 1 49 49 LYS HA H 1 4.173 0.000 . 1 . . . . . 49 LYS HA . 52370 1 334 . 1 . 1 49 49 LYS C C 13 176.408 0.013 . 1 . . . . . 49 LYS C . 52370 1 335 . 1 . 1 49 49 LYS CA C 13 56.335 0.003 . 1 . . . . . 49 LYS CA . 52370 1 336 . 1 . 1 49 49 LYS CB C 13 32.924 0.023 . 1 . . . . . 49 LYS CB . 52370 1 337 . 1 . 1 49 49 LYS CG C 13 24.663 0.000 . 1 . . . . . 49 LYS CG . 52370 1 338 . 1 . 1 49 49 LYS CD C 13 28.886 0.000 . 1 . . . . . 49 LYS CD . 52370 1 339 . 1 . 1 49 49 LYS N N 15 120.671 0.029 . 1 . . . . . 49 LYS N . 52370 1 340 . 1 . 1 50 50 GLN H H 1 8.286 0.003 . 1 . . . . . 50 GLN HN . 52370 1 341 . 1 . 1 50 50 GLN HA H 1 4.176 0.000 . 1 . . . . . 50 GLN HA . 52370 1 342 . 1 . 1 50 50 GLN C C 13 175.791 0.015 . 1 . . . . . 50 GLN C . 52370 1 343 . 1 . 1 50 50 GLN CA C 13 55.848 0.049 . 1 . . . . . 50 GLN CA . 52370 1 344 . 1 . 1 50 50 GLN CB C 13 29.156 0.000 . 1 . . . . . 50 GLN CB . 52370 1 345 . 1 . 1 50 50 GLN CG C 13 33.749 0.000 . 1 . . . . . 50 GLN CG . 52370 1 346 . 1 . 1 50 50 GLN N N 15 121.124 0.030 . 1 . . . . . 50 GLN N . 52370 1 347 . 1 . 1 51 51 LEU H H 1 8.146 0.007 . 1 . . . . . 51 LEU HN . 52370 1 348 . 1 . 1 51 51 LEU HA H 1 4.194 0.000 . 1 . . . . . 51 LEU HA . 52370 1 349 . 1 . 1 51 51 LEU C C 13 177.236 0.001 . 1 . . . . . 51 LEU C . 52370 1 350 . 1 . 1 51 51 LEU CA C 13 55.072 0.057 . 1 . . . . . 51 LEU CA . 52370 1 351 . 1 . 1 51 51 LEU CB C 13 42.147 0.073 . 1 . . . . . 51 LEU CB . 52370 1 352 . 1 . 1 51 51 LEU CG C 13 26.890 0.000 . 1 . . . . . 51 LEU CG . 52370 1 353 . 1 . 1 51 51 LEU CD1 C 13 23.542 0.000 . 2 . . . . . 51 LEU CD1 . 52370 1 354 . 1 . 1 51 51 LEU CD2 C 13 24.539 0.000 . 2 . . . . . 51 LEU CD2 . 52370 1 355 . 1 . 1 51 51 LEU N N 15 123.216 0.247 . 1 . . . . . 51 LEU N . 52370 1 356 . 1 . 1 52 52 GLU H H 1 8.244 0.003 . 1 . . . . . 52 GLU HN . 52370 1 357 . 1 . 1 52 52 GLU HA H 1 4.229 0.000 . 1 . . . . . 52 GLU HA . 52370 1 358 . 1 . 1 52 52 GLU C C 13 175.720 0.030 . 1 . . . . . 52 GLU C . 52370 1 359 . 1 . 1 52 52 GLU CA C 13 55.509 0.064 . 1 . . . . . 52 GLU CA . 52370 1 360 . 1 . 1 52 52 GLU CB C 13 28.392 0.046 . 1 . . . . . 52 GLU CB . 52370 1 361 . 1 . 1 52 52 GLU CG C 13 32.450 0.000 . 1 . . . . . 52 GLU CG . 52370 1 362 . 1 . 1 52 52 GLU N N 15 120.505 0.052 . 1 . . . . . 52 GLU N . 52370 1 363 . 1 . 1 53 53 ASP H H 1 8.366 0.002 . 1 . . . . . 53 ASP HN . 52370 1 364 . 1 . 1 53 53 ASP HA H 1 4.555 0.000 . 1 . . . . . 53 ASP HA . 52370 1 365 . 1 . 1 53 53 ASP C C 13 175.367 0.050 . 1 . . . . . 53 ASP C . 52370 1 366 . 1 . 1 53 53 ASP CA C 13 52.910 0.033 . 1 . . . . . 53 ASP CA . 52370 1 367 . 1 . 1 53 53 ASP CB C 13 37.822 0.019 . 1 . . . . . 53 ASP CB . 52370 1 368 . 1 . 1 53 53 ASP N N 15 119.518 0.124 . 1 . . . . . 53 ASP N . 52370 1 369 . 1 . 1 54 54 GLY H H 1 8.241 0.002 . 1 . . . . . 54 GLY HN . 52370 1 370 . 1 . 1 54 54 GLY HA2 H 1 3.813 0.000 . 2 . . . . . 54 GLY QA . 52370 1 371 . 1 . 1 54 54 GLY HA3 H 1 3.813 0.000 . 2 . . . . . 54 GLY QA . 52370 1 372 . 1 . 1 54 54 GLY C C 13 173.935 0.002 . 1 . . . . . 54 GLY C . 52370 1 373 . 1 . 1 54 54 GLY CA C 13 45.453 0.016 . 1 . . . . . 54 GLY CA . 52370 1 374 . 1 . 1 54 54 GLY N N 15 108.678 0.018 . 1 . . . . . 54 GLY N . 52370 1 375 . 1 . 1 55 55 ARG H H 1 7.928 0.001 . 1 . . . . . 55 ARG HN . 52370 1 376 . 1 . 1 55 55 ARG HA H 1 4.271 0.000 . 1 . . . . . 55 ARG HA . 52370 1 377 . 1 . 1 55 55 ARG C C 13 176.232 0.004 . 1 . . . . . 55 ARG C . 52370 1 378 . 1 . 1 55 55 ARG CA C 13 56.010 0.058 . 1 . . . . . 55 ARG CA . 52370 1 379 . 1 . 1 55 55 ARG CB C 13 30.802 0.023 . 1 . . . . . 55 ARG CB . 52370 1 380 . 1 . 1 55 55 ARG CG C 13 27.085 0.000 . 1 . . . . . 55 ARG CG . 52370 1 381 . 1 . 1 55 55 ARG CD C 13 43.231 0.000 . 1 . . . . . 55 ARG CD . 52370 1 382 . 1 . 1 55 55 ARG N N 15 120.174 0.026 . 1 . . . . . 55 ARG N . 52370 1 383 . 1 . 1 56 56 THR H H 1 8.028 0.003 . 1 . . . . . 56 THR HN . 52370 1 384 . 1 . 1 56 56 THR HA H 1 4.216 0.000 . 1 . . . . . 56 THR HA . 52370 1 385 . 1 . 1 56 56 THR C C 13 174.437 0.000 . 1 . . . . . 56 THR C . 52370 1 386 . 1 . 1 56 56 THR CA C 13 61.721 0.004 . 1 . . . . . 56 THR CA . 52370 1 387 . 1 . 1 56 56 THR CB C 13 69.734 0.010 . 1 . . . . . 56 THR CB . 52370 1 388 . 1 . 1 56 56 THR CG2 C 13 21.438 0.000 . 1 . . . . . 56 THR CG2 . 52370 1 389 . 1 . 1 56 56 THR N N 15 115.192 0.062 . 1 . . . . . 56 THR N . 52370 1 390 . 1 . 1 57 57 LEU H H 1 8.148 0.003 . 1 . . . . . 57 LEU HN . 52370 1 391 . 1 . 1 57 57 LEU HA H 1 4.171 0.000 . 1 . . . . . 57 LEU HA . 52370 1 392 . 1 . 1 57 57 LEU C C 13 176.976 0.000 . 1 . . . . . 57 LEU C . 52370 1 393 . 1 . 1 57 57 LEU CA C 13 55.232 0.032 . 1 . . . . . 57 LEU CA . 52370 1 394 . 1 . 1 57 57 LEU CB C 13 42.083 0.042 . 1 . . . . . 57 LEU CB . 52370 1 395 . 1 . 1 57 57 LEU CG C 13 26.816 0.000 . 1 . . . . . 57 LEU CG . 52370 1 396 . 1 . 1 57 57 LEU CD1 C 13 23.330 0.000 . 2 . . . . . 57 LEU CD1 . 52370 1 397 . 1 . 1 57 57 LEU CD2 C 13 24.681 0.000 . 2 . . . . . 57 LEU CD2 . 52370 1 398 . 1 . 1 57 57 LEU N N 15 124.507 0.150 . 1 . . . . . 57 LEU N . 52370 1 399 . 1 . 1 58 58 ALA H H 1 8.084 0.002 . 1 . . . . . 58 ALA HN . 52370 1 400 . 1 . 1 58 58 ALA HA H 1 4.086 0.000 . 1 . . . . . 58 ALA HA . 52370 1 401 . 1 . 1 58 58 ALA C C 13 177.257 0.005 . 1 . . . . . 58 ALA C . 52370 1 402 . 1 . 1 58 58 ALA CA C 13 52.575 0.021 . 1 . . . . . 58 ALA CA . 52370 1 403 . 1 . 1 58 58 ALA CB C 13 18.847 0.011 . 1 . . . . . 58 ALA CB . 52370 1 404 . 1 . 1 58 58 ALA N N 15 123.870 0.036 . 1 . . . . . 58 ALA N . 52370 1 405 . 1 . 1 59 59 ASP H H 1 8.072 0.002 . 1 . . . . . 59 ASP HN . 52370 1 406 . 1 . 1 59 59 ASP HA H 1 4.507 0.000 . 1 . . . . . 59 ASP HA . 52370 1 407 . 1 . 1 59 59 ASP C C 13 174.753 0.000 . 1 . . . . . 59 ASP C . 52370 1 408 . 1 . 1 59 59 ASP CA C 13 52.621 0.006 . 1 . . . . . 59 ASP CA . 52370 1 409 . 1 . 1 59 59 ASP CB C 13 37.649 0.020 . 1 . . . . . 59 ASP CB . 52370 1 410 . 1 . 1 59 59 ASP N N 15 117.172 0.024 . 1 . . . . . 59 ASP N . 52370 1 411 . 1 . 1 60 60 TYR H H 1 7.876 0.010 . 1 . . . . . 60 TYR HN . 52370 1 412 . 1 . 1 60 60 TYR HA H 1 4.378 0.000 . 1 . . . . . 60 TYR HA . 52370 1 413 . 1 . 1 60 60 TYR C C 13 175.229 0.013 . 1 . . . . . 60 TYR C . 52370 1 414 . 1 . 1 60 60 TYR CA C 13 58.082 0.047 . 1 . . . . . 60 TYR CA . 52370 1 415 . 1 . 1 60 60 TYR CB C 13 38.536 0.003 . 1 . . . . . 60 TYR CB . 52370 1 416 . 1 . 1 60 60 TYR N N 15 120.542 0.145 . 1 . . . . . 60 TYR N . 52370 1 417 . 1 . 1 61 61 ASN H H 1 8.145 0.001 . 1 . . . . . 61 ASN HN . 52370 1 418 . 1 . 1 61 61 ASN HA H 1 4.519 0.000 . 1 . . . . . 61 ASN HA . 52370 1 419 . 1 . 1 61 61 ASN C C 13 174.936 0.013 . 1 . . . . . 61 ASN C . 52370 1 420 . 1 . 1 61 61 ASN CA C 13 53.120 0.020 . 1 . . . . . 61 ASN CA . 52370 1 421 . 1 . 1 61 61 ASN CB C 13 38.564 0.010 . 1 . . . . . 61 ASN CB . 52370 1 422 . 1 . 1 61 61 ASN N N 15 119.972 0.025 . 1 . . . . . 61 ASN N . 52370 1 423 . 1 . 1 62 62 ILE H H 1 7.817 0.002 . 1 . . . . . 62 ILE HN . 52370 1 424 . 1 . 1 62 62 ILE HA H 1 3.944 0.000 . 1 . . . . . 62 ILE HA . 52370 1 425 . 1 . 1 62 62 ILE C C 13 176.267 0.002 . 1 . . . . . 62 ILE C . 52370 1 426 . 1 . 1 62 62 ILE CA C 13 61.542 0.029 . 1 . . . . . 62 ILE CA . 52370 1 427 . 1 . 1 62 62 ILE CB C 13 38.365 0.012 . 1 . . . . . 62 ILE CB . 52370 1 428 . 1 . 1 62 62 ILE CG1 C 13 27.312 0.000 . 1 . . . . . 62 ILE CG1 . 52370 1 429 . 1 . 1 62 62 ILE CG2 C 13 17.184 0.000 . 1 . . . . . 62 ILE CG2 . 52370 1 430 . 1 . 1 62 62 ILE N N 15 120.804 0.019 . 1 . . . . . 62 ILE N . 52370 1 431 . 1 . 1 63 63 GLN H H 1 8.217 0.009 . 1 . . . . . 63 GLN HN . 52370 1 432 . 1 . 1 63 63 GLN HA H 1 4.146 0.000 . 1 . . . . . 63 GLN HA . 52370 1 433 . 1 . 1 63 63 GLN C C 13 176.083 0.011 . 1 . . . . . 63 GLN C . 52370 1 434 . 1 . 1 63 63 GLN CA C 13 56.073 0.002 . 1 . . . . . 63 GLN CA . 52370 1 435 . 1 . 1 63 63 GLN CB C 13 29.087 0.064 . 1 . . . . . 63 GLN CB . 52370 1 436 . 1 . 1 63 63 GLN CG C 13 33.650 0.000 . 1 . . . . . 63 GLN CG . 52370 1 437 . 1 . 1 63 63 GLN N N 15 123.499 0.153 . 1 . . . . . 63 GLN N . 52370 1 438 . 1 . 1 64 64 LYS H H 1 8.147 0.002 . 1 . . . . . 64 LYS HN . 52370 1 439 . 1 . 1 64 64 LYS HA H 1 4.143 0.000 . 1 . . . . . 64 LYS HA . 52370 1 440 . 1 . 1 64 64 LYS C C 13 176.605 0.006 . 1 . . . . . 64 LYS C . 52370 1 441 . 1 . 1 64 64 LYS CA C 13 56.469 0.024 . 1 . . . . . 64 LYS CA . 52370 1 442 . 1 . 1 64 64 LYS CB C 13 32.680 0.034 . 1 . . . . . 64 LYS CB . 52370 1 443 . 1 . 1 64 64 LYS CG C 13 24.600 0.000 . 1 . . . . . 64 LYS CG . 52370 1 444 . 1 . 1 64 64 LYS CD C 13 29.059 0.000 . 1 . . . . . 64 LYS CD . 52370 1 445 . 1 . 1 64 64 LYS CE C 13 42.036 0.000 . 1 . . . . . 64 LYS CE . 52370 1 446 . 1 . 1 64 64 LYS N N 15 122.240 0.045 . 1 . . . . . 64 LYS N . 52370 1 447 . 1 . 1 65 65 GLU H H 1 8.194 0.002 . 1 . . . . . 65 GLU HN . 52370 1 448 . 1 . 1 65 65 GLU HA H 1 4.233 0.000 . 1 . . . . . 65 GLU HA . 52370 1 449 . 1 . 1 65 65 GLU C C 13 176.078 0.029 . 1 . . . . . 65 GLU C . 52370 1 450 . 1 . 1 65 65 GLU CA C 13 55.876 0.030 . 1 . . . . . 65 GLU CA . 52370 1 451 . 1 . 1 65 65 GLU CB C 13 28.621 0.040 . 1 . . . . . 65 GLU CB . 52370 1 452 . 1 . 1 65 65 GLU CG C 13 32.464 0.000 . 1 . . . . . 65 GLU CG . 52370 1 453 . 1 . 1 65 65 GLU N N 15 120.811 0.020 . 1 . . . . . 65 GLU N . 52370 1 454 . 1 . 1 66 66 SER H H 1 8.235 0.002 . 1 . . . . . 66 SER HN . 52370 1 455 . 1 . 1 66 66 SER HA H 1 4.341 0.000 . 1 . . . . . 66 SER HA . 52370 1 456 . 1 . 1 66 66 SER C C 13 174.870 0.010 . 1 . . . . . 66 SER C . 52370 1 457 . 1 . 1 66 66 SER CA C 13 58.528 0.051 . 1 . . . . . 66 SER CA . 52370 1 458 . 1 . 1 66 66 SER CB C 13 63.593 0.023 . 1 . . . . . 66 SER CB . 52370 1 459 . 1 . 1 66 66 SER N N 15 116.628 0.044 . 1 . . . . . 66 SER N . 52370 1 460 . 1 . 1 67 67 THR H H 1 8.022 0.002 . 1 . . . . . 67 THR HN . 52370 1 461 . 1 . 1 67 67 THR HA H 1 4.163 0.000 . 1 . . . . . 67 THR HA . 52370 1 462 . 1 . 1 67 67 THR C C 13 174.304 0.000 . 1 . . . . . 67 THR C . 52370 1 463 . 1 . 1 67 67 THR CA C 13 63.146 2.041 . 1 . . . . . 67 THR CA . 52370 1 464 . 1 . 1 67 67 THR CB C 13 69.384 0.035 . 1 . . . . . 67 THR CB . 52370 1 465 . 1 . 1 67 67 THR CG2 C 13 21.407 0.000 . 1 . . . . . 67 THR CG2 . 52370 1 466 . 1 . 1 67 67 THR N N 15 115.666 0.031 . 1 . . . . . 67 THR N . 52370 1 467 . 1 . 1 68 68 LEU H H 1 7.957 0.209 . 1 . . . . . 68 LEU HN . 52370 1 468 . 1 . 1 68 68 LEU HA H 1 4.125 0.000 . 1 . . . . . 68 LEU HA . 52370 1 469 . 1 . 1 68 68 LEU C C 13 176.799 0.002 . 1 . . . . . 68 LEU C . 52370 1 470 . 1 . 1 68 68 LEU CA C 13 55.394 0.022 . 1 . . . . . 68 LEU CA . 52370 1 471 . 1 . 1 68 68 LEU CB C 13 42.271 0.023 . 1 . . . . . 68 LEU CB . 52370 1 472 . 1 . 1 68 68 LEU CG C 13 26.796 0.000 . 1 . . . . . 68 LEU CG . 52370 1 473 . 1 . 1 68 68 LEU CD1 C 13 23.509 0.000 . 2 . . . . . 68 LEU CD1 . 52370 1 474 . 1 . 1 68 68 LEU CD2 C 13 24.418 0.000 . 2 . . . . . 68 LEU CD2 . 52370 1 475 . 1 . 1 68 68 LEU N N 15 123.379 1.162 . 1 . . . . . 68 LEU N . 52370 1 476 . 1 . 1 69 69 HIS H H 1 8.362 0.003 . 1 . . . . . 69 HIS HN . 52370 1 477 . 1 . 1 69 69 HIS HA H 1 4.560 0.000 . 1 . . . . . 69 HIS HA . 52370 1 478 . 1 . 1 69 69 HIS C C 13 173.760 0.009 . 1 . . . . . 69 HIS C . 52370 1 479 . 1 . 1 69 69 HIS CA C 13 54.809 0.000 . 1 . . . . . 69 HIS CA . 52370 1 480 . 1 . 1 69 69 HIS CB C 13 28.427 0.006 . 1 . . . . . 69 HIS CB . 52370 1 481 . 1 . 1 69 69 HIS N N 15 119.204 0.082 . 1 . . . . . 69 HIS N . 52370 1 482 . 1 . 1 70 70 LEU H H 1 8.064 0.002 . 1 . . . . . 70 LEU HN . 52370 1 483 . 1 . 1 70 70 LEU HA H 1 4.211 0.000 . 1 . . . . . 70 LEU HA . 52370 1 484 . 1 . 1 70 70 LEU C C 13 176.753 0.018 . 1 . . . . . 70 LEU C . 52370 1 485 . 1 . 1 70 70 LEU CA C 13 55.035 0.010 . 1 . . . . . 70 LEU CA . 52370 1 486 . 1 . 1 70 70 LEU CB C 13 42.346 0.017 . 1 . . . . . 70 LEU CB . 52370 1 487 . 1 . 1 70 70 LEU CG C 13 26.654 0.000 . 1 . . . . . 70 LEU CG . 52370 1 488 . 1 . 1 70 70 LEU CD1 C 13 25.650 0.000 . 2 . . . . . 70 LEU CD1 . 52370 1 489 . 1 . 1 70 70 LEU CD2 C 13 24.526 0.000 . 2 . . . . . 70 LEU CD2 . 52370 1 490 . 1 . 1 70 70 LEU N N 15 123.688 0.017 . 1 . . . . . 70 LEU N . 52370 1 491 . 1 . 1 71 71 VAL H H 1 8.120 0.002 . 1 . . . . . 71 VAL HN . 52370 1 492 . 1 . 1 71 71 VAL HA H 1 3.925 0.000 . 1 . . . . . 71 VAL HA . 52370 1 493 . 1 . 1 71 71 VAL C C 13 175.668 0.005 . 1 . . . . . 71 VAL C . 52370 1 494 . 1 . 1 71 71 VAL CA C 13 62.228 0.018 . 1 . . . . . 71 VAL CA . 52370 1 495 . 1 . 1 71 71 VAL CB C 13 32.437 0.006 . 1 . . . . . 71 VAL CB . 52370 1 496 . 1 . 1 71 71 VAL CG1 C 13 20.747 0.000 . 2 . . . . . 71 VAL CG1 . 52370 1 497 . 1 . 1 71 71 VAL CG2 C 13 20.747 0.000 . 2 . . . . . 71 VAL CG2 . 52370 1 498 . 1 . 1 71 71 VAL N N 15 122.430 0.034 . 1 . . . . . 71 VAL N . 52370 1 499 . 1 . 1 72 72 LEU H H 1 8.183 0.002 . 1 . . . . . 72 LEU HN . 52370 1 500 . 1 . 1 72 72 LEU HA H 1 4.216 0.000 . 1 . . . . . 72 LEU HA . 52370 1 501 . 1 . 1 72 72 LEU C C 13 176.778 0.010 . 1 . . . . . 72 LEU C . 52370 1 502 . 1 . 1 72 72 LEU CA C 13 54.931 0.008 . 1 . . . . . 72 LEU CA . 52370 1 503 . 1 . 1 72 72 LEU CB C 13 42.265 0.029 . 1 . . . . . 72 LEU CB . 52370 1 504 . 1 . 1 72 72 LEU CG C 13 26.750 0.000 . 1 . . . . . 72 LEU CG . 52370 1 505 . 1 . 1 72 72 LEU CD1 C 13 24.580 0.000 . 2 . . . . . 72 LEU CD1 . 52370 1 506 . 1 . 1 72 72 LEU CD2 C 13 23.486 0.000 . 2 . . . . . 72 LEU CD2 . 52370 1 507 . 1 . 1 72 72 LEU N N 15 126.695 0.031 . 1 . . . . . 72 LEU N . 52370 1 508 . 1 . 1 73 73 ARG H H 1 8.217 0.002 . 1 . . . . . 73 ARG HN . 52370 1 509 . 1 . 1 73 73 ARG HA H 1 4.208 0.000 . 1 . . . . . 73 ARG HA . 52370 1 510 . 1 . 1 73 73 ARG C C 13 175.792 0.009 . 1 . . . . . 73 ARG C . 52370 1 511 . 1 . 1 73 73 ARG CA C 13 55.675 0.008 . 1 . . . . . 73 ARG CA . 52370 1 512 . 1 . 1 73 73 ARG CB C 13 30.536 0.021 . 1 . . . . . 73 ARG CB . 52370 1 513 . 1 . 1 73 73 ARG CG C 13 26.911 0.000 . 1 . . . . . 73 ARG CG . 52370 1 514 . 1 . 1 73 73 ARG CD C 13 43.219 0.000 . 1 . . . . . 73 ARG CD . 52370 1 515 . 1 . 1 73 73 ARG N N 15 122.541 0.034 . 1 . . . . . 73 ARG N . 52370 1 516 . 1 . 1 74 74 LEU H H 1 8.148 0.002 . 1 . . . . . 74 LEU HN . 52370 1 517 . 1 . 1 74 74 LEU HA H 1 4.209 0.000 . 1 . . . . . 74 LEU HA . 52370 1 518 . 1 . 1 74 74 LEU C C 13 177.205 0.003 . 1 . . . . . 74 LEU C . 52370 1 519 . 1 . 1 74 74 LEU CA C 13 54.956 0.038 . 1 . . . . . 74 LEU CA . 52370 1 520 . 1 . 1 74 74 LEU CB C 13 42.249 0.025 . 1 . . . . . 74 LEU CB . 52370 1 521 . 1 . 1 74 74 LEU CG C 13 26.759 0.000 . 1 . . . . . 74 LEU CG . 52370 1 522 . 1 . 1 74 74 LEU CD1 C 13 24.517 0.000 . 2 . . . . . 74 LEU CD1 . 52370 1 523 . 1 . 1 74 74 LEU CD2 C 13 23.274 0.000 . 2 . . . . . 74 LEU CD2 . 52370 1 524 . 1 . 1 74 74 LEU N N 15 123.762 0.051 . 1 . . . . . 74 LEU N . 52370 1 525 . 1 . 1 75 75 ARG H H 1 8.294 0.002 . 1 . . . . . 75 ARG HN . 52370 1 526 . 1 . 1 75 75 ARG HA H 1 4.192 0.000 . 1 . . . . . 75 ARG HA . 52370 1 527 . 1 . 1 75 75 ARG C C 13 176.488 0.005 . 1 . . . . . 75 ARG C . 52370 1 528 . 1 . 1 75 75 ARG CA C 13 56.144 0.027 . 1 . . . . . 75 ARG CA . 52370 1 529 . 1 . 1 75 75 ARG CB C 13 30.532 0.033 . 1 . . . . . 75 ARG CB . 52370 1 530 . 1 . 1 75 75 ARG CG C 13 26.916 0.000 . 1 . . . . . 75 ARG CG . 52370 1 531 . 1 . 1 75 75 ARG CD C 13 43.203 0.000 . 1 . . . . . 75 ARG CD . 52370 1 532 . 1 . 1 75 75 ARG N N 15 121.906 0.050 . 1 . . . . . 75 ARG N . 52370 1 533 . 1 . 1 76 76 GLY H H 1 8.280 0.002 . 1 . . . . . 76 GLY HN . 52370 1 534 . 1 . 1 76 76 GLY C C 13 174.124 0.000 . 1 . . . . . 76 GLY C . 52370 1 535 . 1 . 1 76 76 GLY CA C 13 44.880 0.000 . 1 . . . . . 76 GLY CA . 52370 1 536 . 1 . 1 76 76 GLY N N 15 110.077 0.020 . 1 . . . . . 76 GLY N . 52370 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDCs_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_1 _RDC_list.Entry_ID 52370 _RDC_list.ID 1 _RDC_list.Name "U' 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 11 '2D 1H-15N IPAP HSQC' . . . 52370 1 12 '2D 1H-15N IPAP HSQC' . . . 52370 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 . . 52370 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 . 4.004 . . . . . . . . . . . . . . 52370 1 2 DNH . 1 1 3 3 GLN N N 15 . . 1 1 3 3 GLN H H 1 . 5.438 . . . . . . . . . . . . . . 52370 1 3 DNH . 1 1 4 4 ILE N N 15 . . 1 1 4 4 ILE H H 1 . 5.682 . . . . . . . . . . . . . . 52370 1 4 DNH . 1 1 5 5 PHE N N 15 . . 1 1 5 5 PHE H H 1 . 3.815 . . . . . . . . . . . . . . 52370 1 5 DNH . 1 1 6 6 VAL N N 15 . . 1 1 6 6 VAL H H 1 . 5.864 . . . . . . . . . . . . . . 52370 1 6 DNH . 1 1 7 7 LYS N N 15 . . 1 1 7 7 LYS H H 1 . 7.336 . . . . . . . . . . . . . . 52370 1 7 DNH . 1 1 8 8 THR N N 15 . . 1 1 8 8 THR H H 1 . 7.279 . . . . . . . . . . . . . . 52370 1 8 DNH . 1 1 9 9 LEU N N 15 . . 1 1 9 9 LEU H H 1 . 0.816 . . . . . . . . . . . . . . 52370 1 9 DNH . 1 1 10 10 THR N N 15 . . 1 1 10 10 THR H H 1 . 2.22 . . . . . . . . . . . . . . 52370 1 10 DNH . 1 1 11 11 GLY N N 15 . . 1 1 11 11 GLY H H 1 . 1.886 . . . . . . . . . . . . . . 52370 1 11 DNH . 1 1 12 12 LYS N N 15 . . 1 1 12 12 LYS H H 1 . 1.396 . . . . . . . . . . . . . . 52370 1 12 DNH . 1 1 13 13 THR N N 15 . . 1 1 13 13 THR H H 1 . 8.167 . . . . . . . . . . . . . . 52370 1 13 DNH . 1 1 14 14 ILE N N 15 . . 1 1 14 14 ILE H H 1 . 3.931 . . . . . . . . . . . . . . 52370 1 14 DNH . 1 1 15 15 THR N N 15 . . 1 1 15 15 THR H H 1 . 6.278 . . . . . . . . . . . . . . 52370 1 15 DNH . 1 1 16 16 LEU N N 15 . . 1 1 16 16 LEU H H 1 . 1.477 . . . . . . . . . . . . . . 52370 1 16 DNH . 1 1 17 17 GLU N N 15 . . 1 1 17 17 GLU H H 1 . 6.432 . . . . . . . . . . . . . . 52370 1 17 DNH . 1 1 18 18 VAL N N 15 . . 1 1 18 18 VAL H H 1 . 4.239 . . . . . . . . . . . . . . 52370 1 18 DNH . 1 1 19 19 GLU N N 15 . . 1 1 19 19 GLU H H 1 . 6.728 . . . . . . . . . . . . . . 52370 1 19 DNH . 1 1 20 20 SER N N 15 . . 1 1 20 20 SER H H 1 . 0.253 . . . . . . . . . . . . . . 52370 1 20 DNH . 1 1 21 21 SER N N 15 . . 1 1 21 21 SER H H 1 . 3.45 . . . . . . . . . . . . . . 52370 1 21 DNH . 1 1 22 22 ASP N N 15 . . 1 1 22 22 ASP H H 1 . 2.882 . . . . . . . . . . . . . . 52370 1 22 DNH . 1 1 23 23 THR N N 15 . . 1 1 23 23 THR H H 1 . 1.691 . . . . . . . . . . . . . . 52370 1 23 DNH . 1 1 24 24 ILE N N 15 . . 1 1 24 24 ILE H H 1 . 2.984 . . . . . . . . . . . . . . 52370 1 24 DNH . 1 1 25 25 ASP N N 15 . . 1 1 25 25 ASP H H 1 . 3.955 . . . . . . . . . . . . . . 52370 1 25 DNH . 1 1 26 26 ASN N N 15 . . 1 1 26 26 ASN H H 1 . 4.305 . . . . . . . . . . . . . . 52370 1 26 DNH . 1 1 27 27 VAL N N 15 . . 1 1 27 27 VAL H H 1 . 3.279 . . . . . . . . . . . . . . 52370 1 27 DNH . 1 1 29 29 ALA N N 15 . . 1 1 29 29 ALA H H 1 . 5.034 . . . . . . . . . . . . . . 52370 1 28 DNH . 1 1 31 31 ILE N N 15 . . 1 1 31 31 ILE H H 1 . 8.303 . . . . . . . . . . . . . . 52370 1 29 DNH . 1 1 32 32 GLN N N 15 . . 1 1 32 32 GLN H H 1 . 10.725 . . . . . . . . . . . . . . 52370 1 30 DNH . 1 1 33 33 ASP N N 15 . . 1 1 33 33 ASP H H 1 . 6.607 . . . . . . . . . . . . . . 52370 1 31 DNH . 1 1 36 36 GLY N N 15 . . 1 1 36 36 GLY H H 1 . 5.373 . . . . . . . . . . . . . . 52370 1 32 DNH . 1 1 37 37 ILE N N 15 . . 1 1 37 37 ILE H H 1 . 5.548 . . . . . . . . . . . . . . 52370 1 33 DNH . 1 1 40 40 ASP N N 15 . . 1 1 40 40 ASP H H 1 . 5.009 . . . . . . . . . . . . . . 52370 1 34 DNH . 1 1 41 41 GLN N N 15 . . 1 1 41 41 GLN H H 1 . -0.211 . . . . . . . . . . . . . . 52370 1 35 DNH . 1 1 45 45 ILE N N 15 . . 1 1 45 45 ILE H H 1 . 4.637 . . . . . . . . . . . . . . 52370 1 36 DNH . 1 1 46 46 PHE N N 15 . . 1 1 46 46 PHE H H 1 . 6.217 . . . . . . . . . . . . . . 52370 1 37 DNH . 1 1 47 47 ALA N N 15 . . 1 1 47 47 ALA H H 1 . 3.278 . . . . . . . . . . . . . . 52370 1 38 DNH . 1 1 48 48 GLY N N 15 . . 1 1 48 48 GLY H H 1 . 3.488 . . . . . . . . . . . . . . 52370 1 39 DNH . 1 1 49 49 LYS N N 15 . . 1 1 49 49 LYS H H 1 . 4.73 . . . . . . . . . . . . . . 52370 1 40 DNH . 1 1 51 51 LEU N N 15 . . 1 1 51 51 LEU H H 1 . 7.128 . . . . . . . . . . . . . . 52370 1 41 DNH . 1 1 52 52 GLU N N 15 . . 1 1 52 52 GLU H H 1 . 3.499 . . . . . . . . . . . . . . 52370 1 42 DNH . 1 1 53 53 ASP N N 15 . . 1 1 53 53 ASP H H 1 . 3.888 . . . . . . . . . . . . . . 52370 1 43 DNH . 1 1 54 54 GLY N N 15 . . 1 1 54 54 GLY H H 1 . 2.195 . . . . . . . . . . . . . . 52370 1 44 DNH . 1 1 55 55 ARG N N 15 . . 1 1 55 55 ARG H H 1 . 2.634 . . . . . . . . . . . . . . 52370 1 45 DNH . 1 1 56 56 THR N N 15 . . 1 1 56 56 THR H H 1 . 4.983 . . . . . . . . . . . . . . 52370 1 46 DNH . 1 1 59 59 ASP N N 15 . . 1 1 59 59 ASP H H 1 . 2.932 . . . . . . . . . . . . . . 52370 1 47 DNH . 1 1 60 60 TYR N N 15 . . 1 1 60 60 TYR H H 1 . 2.935 . . . . . . . . . . . . . . 52370 1 48 DNH . 1 1 61 61 ASN N N 15 . . 1 1 61 61 ASN H H 1 . -2.404 . . . . . . . . . . . . . . 52370 1 49 DNH . 1 1 62 62 ILE N N 15 . . 1 1 62 62 ILE H H 1 . -3.069 . . . . . . . . . . . . . . 52370 1 50 DNH . 1 1 63 63 GLN N N 15 . . 1 1 63 63 GLN H H 1 . 3.813 . . . . . . . . . . . . . . 52370 1 51 DNH . 1 1 64 64 LYS N N 15 . . 1 1 64 64 LYS H H 1 . 0.024 . . . . . . . . . . . . . . 52370 1 52 DNH . 1 1 66 66 SER N N 15 . . 1 1 66 66 SER H H 1 . 4.714 . . . . . . . . . . . . . . 52370 1 53 DNH . 1 1 67 67 THR N N 15 . . 1 1 67 67 THR H H 1 . 2.764 . . . . . . . . . . . . . . 52370 1 54 DNH . 1 1 68 68 LEU N N 15 . . 1 1 68 68 LEU H H 1 . 2.139 . . . . . . . . . . . . . . 52370 1 55 DNH . 1 1 69 69 HIS N N 15 . . 1 1 69 69 HIS H H 1 . -2.903 . . . . . . . . . . . . . . 52370 1 56 DNH . 1 1 72 72 LEU N N 15 . . 1 1 72 72 LEU H H 1 . 5.582 . . . . . . . . . . . . . . 52370 1 57 DNH . 1 1 74 74 LEU N N 15 . . 1 1 74 74 LEU H H 1 . 5.069 . . . . . . . . . . . . . . 52370 1 58 DNH . 1 1 75 75 ARG N N 15 . . 1 1 75 75 ARG H H 1 . 2.683 . . . . . . . . . . . . . . 52370 1 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 52370 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name "U' 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' . . . 52370 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 . . 52370 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 0.8157 0.0111 . . . . . 52370 1 2 . 1 1 3 3 GLN N N 15 0.6794 0.0086 . . . . . 52370 1 3 . 1 1 4 4 ILE N N 15 0.5844 0.015 . . . . . 52370 1 4 . 1 1 5 5 PHE N N 15 0.5569 0.0139 . . . . . 52370 1 5 . 1 1 6 6 VAL N N 15 0.6252 0.0107 . . . . . 52370 1 6 . 1 1 7 7 LYS N N 15 0.5698 0.0033 . . . . . 52370 1 7 . 1 1 8 8 THR N N 15 0.5566 0.0055 . . . . . 52370 1 8 . 1 1 9 9 LEU N N 15 0.5629 0.0089 . . . . . 52370 1 9 . 1 1 10 10 THR N N 15 0.5983 0.0115 . . . . . 52370 1 10 . 1 1 11 11 GLY N N 15 0.5815 0.0074 . . . . . 52370 1 11 . 1 1 12 12 LYS N N 15 0.5932 0.0121 . . . . . 52370 1 12 . 1 1 13 13 THR N N 15 0.6186 0.0055 . . . . . 52370 1 13 . 1 1 14 14 ILE N N 15 0.5228 0.0141 . . . . . 52370 1 14 . 1 1 15 15 THR N N 15 0.5558 0.0073 . . . . . 52370 1 15 . 1 1 16 16 LEU N N 15 0.5831 0.0076 . . . . . 52370 1 16 . 1 1 17 17 GLU N N 15 0.5868 0.0028 . . . . . 52370 1 17 . 1 1 18 18 VAL N N 15 0.5868 0.0028 . . . . . 52370 1 18 . 1 1 19 19 GLU N N 15 0.5635 0.0069 . . . . . 52370 1 19 . 1 1 20 20 SER N N 15 0.6209 0.0111 . . . . . 52370 1 20 . 1 1 21 21 SER N N 15 0.6225 0.0057 . . . . . 52370 1 21 . 1 1 22 22 ASP N N 15 0.6115 0.0043 . . . . . 52370 1 22 . 1 1 23 23 THR N N 15 0.6096 0.0056 . . . . . 52370 1 23 . 1 1 24 24 ILE N N 15 0.5885 0.0047 . . . . . 52370 1 24 . 1 1 25 25 ASP N N 15 0.5856 0.007 . . . . . 52370 1 25 . 1 1 26 26 ASN N N 15 0.6073 0.0058 . . . . . 52370 1 26 . 1 1 27 27 VAL N N 15 0.6025 0.0047 . . . . . 52370 1 27 . 1 1 28 28 LYS N N 15 0.576 0.0215 . . . . . 52370 1 28 . 1 1 29 29 ALA N N 15 0.6006 0.0063 . . . . . 52370 1 29 . 1 1 31 31 ILE N N 15 0.6089 0.0054 . . . . . 52370 1 30 . 1 1 32 32 GLN N N 15 0.5734 0.0076 . . . . . 52370 1 31 . 1 1 33 33 ASP N N 15 0.6253 0.0071 . . . . . 52370 1 32 . 1 1 34 34 LYS N N 15 0.5919 0.0086 . . . . . 52370 1 33 . 1 1 36 36 GLY N N 15 0.6411 0.0052 . . . . . 52370 1 34 . 1 1 37 37 ILE N N 15 0.5972 0.0043 . . . . . 52370 1 35 . 1 1 40 40 ASP N N 15 0.5862 0.0069 . . . . . 52370 1 36 . 1 1 43 43 ARG N N 15 0.6015 0.0046 . . . . . 52370 1 37 . 1 1 44 44 LEU N N 15 0.5711 0.008 . . . . . 52370 1 38 . 1 1 45 45 ILE N N 15 0.5747 0.0198 . . . . . 52370 1 39 . 1 1 46 46 PHE N N 15 0.532 0.0099 . . . . . 52370 1 40 . 1 1 47 47 ALA N N 15 0.6078 0.0085 . . . . . 52370 1 41 . 1 1 48 48 GLY N N 15 0.6623 0.0046 . . . . . 52370 1 42 . 1 1 49 49 LYS N N 15 0.6105 0.0047 . . . . . 52370 1 43 . 1 1 50 50 GLN N N 15 0.5785 0.0149 . . . . . 52370 1 44 . 1 1 51 51 LEU N N 15 0.5847 0.0055 . . . . . 52370 1 45 . 1 1 53 53 ASP N N 15 0.597 0.0063 . . . . . 52370 1 46 . 1 1 54 54 GLY N N 15 0.5987 0.0055 . . . . . 52370 1 47 . 1 1 55 55 ARG N N 15 0.5795 0.0043 . . . . . 52370 1 48 . 1 1 56 56 THR N N 15 0.5747 0.0078 . . . . . 52370 1 49 . 1 1 57 57 LEU N N 15 0.5869 0.0043 . . . . . 52370 1 50 . 1 1 58 58 ALA N N 15 0.6152 0.0076 . . . . . 52370 1 51 . 1 1 59 59 ASP N N 15 0.5845 0.0047 . . . . . 52370 1 52 . 1 1 60 60 TYR N N 15 0.5719 0.0456 . . . . . 52370 1 53 . 1 1 61 61 ASN N N 15 0.5675 0.0045 . . . . . 52370 1 54 . 1 1 62 62 ILE N N 15 0.5664 0.004 . . . . . 52370 1 55 . 1 1 63 63 GLN N N 15 0.5668 0.0078 . . . . . 52370 1 56 . 1 1 64 64 LYS N N 15 0.597 0.0084 . . . . . 52370 1 57 . 1 1 66 66 SER N N 15 0.4953 0.0136 . . . . . 52370 1 58 . 1 1 67 67 THR N N 15 0.537 0.0033 . . . . . 52370 1 59 . 1 1 68 68 LEU N N 15 0.5654 0.0043 . . . . . 52370 1 60 . 1 1 69 69 HIS N N 15 0.5979 0.0038 . . . . . 52370 1 61 . 1 1 70 70 LEU N N 15 0.5916 0.0076 . . . . . 52370 1 62 . 1 1 71 71 VAL N N 15 0.6192 0.0073 . . . . . 52370 1 63 . 1 1 72 72 LEU N N 15 0.6208 0.003 . . . . . 52370 1 64 . 1 1 73 73 ARG N N 15 0.4926 0.0135 . . . . . 52370 1 65 . 1 1 74 74 LEU N N 15 0.6713 0.0032 . . . . . 52370 1 66 . 1 1 75 75 ARG N N 15 0.7124 0.0057 . . . . . 52370 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 52370 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name "U' 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 15 'T1/R1 relaxation' . . . 52370 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 . . 52370 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 0.7902 0.0324 . . . . . 52370 2 2 . 1 1 3 3 GLN N N 15 0.7189 0.0303 . . . . . 52370 2 3 . 1 1 4 4 ILE N N 15 0.6197 0.0232 . . . . . 52370 2 4 . 1 1 5 5 PHE N N 15 0.5829 0.0255 . . . . . 52370 2 5 . 1 1 6 6 VAL N N 15 0.6192 0.0291 . . . . . 52370 2 6 . 1 1 7 7 LYS N N 15 0.6285 0.0372 . . . . . 52370 2 7 . 1 1 8 8 THR N N 15 0.5783 0.0131 . . . . . 52370 2 8 . 1 1 9 9 LEU N N 15 0.5774 0.017 . . . . . 52370 2 9 . 1 1 10 10 THR N N 15 0.5995 0.0159 . . . . . 52370 2 10 . 1 1 11 11 GLY N N 15 0.5864 0.0212 . . . . . 52370 2 11 . 1 1 12 12 LYS N N 15 0.5597 0.0175 . . . . . 52370 2 12 . 1 1 13 13 THR N N 15 0.6326 0.0217 . . . . . 52370 2 13 . 1 1 14 14 ILE N N 15 0.5937 0.0343 . . . . . 52370 2 14 . 1 1 15 15 THR N N 15 0.5927 0.0169 . . . . . 52370 2 15 . 1 1 16 16 LEU N N 15 0.6016 0.0274 . . . . . 52370 2 16 . 1 1 17 17 GLU N N 15 0.631 0.0063 . . . . . 52370 2 17 . 1 1 18 18 VAL N N 15 0.613 0.0444 . . . . . 52370 2 18 . 1 1 19 19 GLU N N 15 0.5628 0.0217 . . . . . 52370 2 19 . 1 1 20 20 SER N N 15 0.636 0.0099 . . . . . 52370 2 20 . 1 1 21 21 SER N N 15 0.6622 0.0193 . . . . . 52370 2 21 . 1 1 22 22 ASP N N 15 0.6192 0.0098 . . . . . 52370 2 22 . 1 1 23 23 THR N N 15 0.6609 0.0205 . . . . . 52370 2 23 . 1 1 24 24 ILE N N 15 0.5628 0.0177 . . . . . 52370 2 24 . 1 1 25 25 ASP N N 15 0.6143 0.0114 . . . . . 52370 2 25 . 1 1 26 26 ASN N N 15 0.6221 0.0244 . . . . . 52370 2 26 . 1 1 27 27 VAL N N 15 0.6314 0.0235 . . . . . 52370 2 27 . 1 1 28 28 LYS N N 15 0.6015 0.0358 . . . . . 52370 2 28 . 1 1 29 29 ALA N N 15 0.6561 0.0274 . . . . . 52370 2 29 . 1 1 30 30 LYS N N 15 0.5918 0.0107 . . . . . 52370 2 30 . 1 1 31 31 ILE N N 15 0.6232 0.0173 . . . . . 52370 2 31 . 1 1 32 32 GLN N N 15 0.5772 0.0135 . . . . . 52370 2 32 . 1 1 33 33 ASP N N 15 0.6207 0.0104 . . . . . 52370 2 33 . 1 1 34 34 LYS N N 15 0.6246 0.0094 . . . . . 52370 2 34 . 1 1 35 35 GLU N N 15 0.532 0.01 . . . . . 52370 2 35 . 1 1 36 36 GLY N N 15 0.6569 0.0177 . . . . . 52370 2 36 . 1 1 37 37 ILE N N 15 0.6108 0.0139 . . . . . 52370 2 37 . 1 1 40 40 ASP N N 15 0.6051 0.0222 . . . . . 52370 2 38 . 1 1 41 41 GLN N N 15 0.6074 0.0123 . . . . . 52370 2 39 . 1 1 42 42 GLN N N 15 0.5776 0.0608 . . . . . 52370 2 40 . 1 1 43 43 ARG N N 15 0.5635 0.0167 . . . . . 52370 2 41 . 1 1 44 44 LEU N N 15 0.5827 0.0284 . . . . . 52370 2 42 . 1 1 45 45 ILE N N 15 0.5687 0.0207 . . . . . 52370 2 43 . 1 1 46 46 PHE N N 15 0.5492 0.0192 . . . . . 52370 2 44 . 1 1 47 47 ALA N N 15 0.5949 0.0244 . . . . . 52370 2 45 . 1 1 48 48 GLY N N 15 0.6864 0.0181 . . . . . 52370 2 46 . 1 1 49 49 LYS N N 15 0.6393 0.0207 . . . . . 52370 2 47 . 1 1 50 50 GLN N N 15 0.635 0.0094 . . . . . 52370 2 48 . 1 1 51 51 LEU N N 15 0.566 0.0209 . . . . . 52370 2 49 . 1 1 52 52 GLU N N 15 0.6084 0.0258 . . . . . 52370 2 50 . 1 1 53 53 ASP N N 15 0.5776 0.0206 . . . . . 52370 2 51 . 1 1 54 54 GLY N N 15 0.5901 0.0395 . . . . . 52370 2 52 . 1 1 55 55 ARG N N 15 0.601 0.0187 . . . . . 52370 2 53 . 1 1 56 56 THR N N 15 0.6328 0.0215 . . . . . 52370 2 54 . 1 1 57 57 LEU N N 15 0.5467 0.0543 . . . . . 52370 2 55 . 1 1 58 58 ALA N N 15 0.6111 0.0086 . . . . . 52370 2 56 . 1 1 59 59 ASP N N 15 0.5663 0.0137 . . . . . 52370 2 57 . 1 1 60 60 TYR N N 15 0.5842 0.0346 . . . . . 52370 2 58 . 1 1 61 61 ASN N N 15 0.5756 0.0199 . . . . . 52370 2 59 . 1 1 62 62 ILE N N 15 0.656 0.0286 . . . . . 52370 2 60 . 1 1 63 63 GLN N N 15 0.6133 0.026 . . . . . 52370 2 61 . 1 1 64 64 LYS N N 15 0.5974 0.0179 . . . . . 52370 2 62 . 1 1 65 65 GLU N N 15 0.5548 0.0087 . . . . . 52370 2 63 . 1 1 66 66 SER N N 15 0.6098 0.0191 . . . . . 52370 2 64 . 1 1 67 67 THR N N 15 0.6271 0.0281 . . . . . 52370 2 65 . 1 1 68 68 LEU N N 15 0.5705 0.0097 . . . . . 52370 2 66 . 1 1 69 69 HIS N N 15 0.6015 0.0144 . . . . . 52370 2 67 . 1 1 70 70 LEU N N 15 0.6627 0.0122 . . . . . 52370 2 68 . 1 1 71 71 VAL N N 15 0.6411 0.0268 . . . . . 52370 2 69 . 1 1 72 72 LEU N N 15 0.6365 0.0213 . . . . . 52370 2 70 . 1 1 73 73 ARG N N 15 0.6118 0.048 . . . . . 52370 2 71 . 1 1 74 74 LEU N N 15 0.6449 0.0136 . . . . . 52370 2 72 . 1 1 75 75 ARG N N 15 0.6812 0.0152 . . . . . 52370 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 52370 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name "U' 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' . . . 52370 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 . . 52370 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 0.4954 0.0219 . . . . . . . 52370 1 2 . 1 1 3 3 GLN N N 15 0.4126 0.0251 . . . . . . . 52370 1 3 . 1 1 4 4 ILE N N 15 0.2799 0.0242 . . . . . . . 52370 1 4 . 1 1 5 5 PHE N N 15 0.2714 0.005 . . . . . . . 52370 1 5 . 1 1 6 6 VAL N N 15 0.2297 0.0066 . . . . . . . 52370 1 6 . 1 1 7 7 LYS N N 15 0.2553 0.0038 . . . . . . . 52370 1 7 . 1 1 8 8 THR N N 15 0.2601 0.0095 . . . . . . . 52370 1 8 . 1 1 9 9 LEU N N 15 0.2282 0.0075 . . . . . . . 52370 1 9 . 1 1 10 10 THR N N 15 0.095 0.0014 . . . . . . . 52370 1 10 . 1 1 11 11 GLY N N 15 0.3406 0.0099 . . . . . . . 52370 1 11 . 1 1 13 13 THR N N 15 0.2621 0.0069 . . . . . . . 52370 1 12 . 1 1 14 14 ILE N N 15 0.2513 0.0028 . . . . . . . 52370 1 13 . 1 1 15 15 THR N N 15 0.2496 0.0072 . . . . . . . 52370 1 14 . 1 1 16 16 LEU N N 15 0.3011 0.0118 . . . . . . . 52370 1 15 . 1 1 17 17 GLU N N 15 0.3189 0.0078 . . . . . . . 52370 1 16 . 1 1 18 18 VAL N N 15 0.3031 0.0141 . . . . . . . 52370 1 17 . 1 1 19 19 GLU N N 15 0.2475 0.0039 . . . . . . . 52370 1 18 . 1 1 20 20 SER N N 15 0.2858 0.0107 . . . . . . . 52370 1 19 . 1 1 21 21 SER N N 15 0.3095 0.0095 . . . . . . . 52370 1 20 . 1 1 22 22 ASP N N 15 0.3453 0.0176 . . . . . . . 52370 1 21 . 1 1 23 23 THR N N 15 0.353 0.0106 . . . . . . . 52370 1 22 . 1 1 24 24 ILE N N 15 0.3562 0.0119 . . . . . . . 52370 1 23 . 1 1 25 25 ASP N N 15 0.2789 0.0046 . . . . . . . 52370 1 24 . 1 1 26 26 ASN N N 15 0.3334 0.0106 . . . . . . . 52370 1 25 . 1 1 28 28 LYS N N 15 0.4485 0.1185 . . . . . . . 52370 1 26 . 1 1 29 29 ALA N N 15 0.3346 0.0105 . . . . . . . 52370 1 27 . 1 1 31 31 ILE N N 15 0.3553 0.0123 . . . . . . . 52370 1 28 . 1 1 32 32 GLN N N 15 0.2909 0.0099 . . . . . . . 52370 1 29 . 1 1 33 33 ASP N N 15 0.3184 0.0129 . . . . . . . 52370 1 30 . 1 1 34 34 LYS N N 15 0.2141 0.003 . . . . . . . 52370 1 31 . 1 1 35 35 GLU N N 15 0.1802 0.0046 . . . . . . . 52370 1 32 . 1 1 36 36 GLY N N 15 0.395 0.0166 . . . . . . . 52370 1 33 . 1 1 37 37 ILE N N 15 0.2982 0.0085 . . . . . . . 52370 1 34 . 1 1 40 40 ASP N N 15 0.2851 0.0103 . . . . . . . 52370 1 35 . 1 1 41 41 GLN N N 15 -1.0759 0.4136 . . . . . . . 52370 1 36 . 1 1 43 43 ARG N N 15 0.2762 0.0058 . . . . . . . 52370 1 37 . 1 1 44 44 LEU N N 15 0.3158 0.0103 . . . . . . . 52370 1 38 . 1 1 45 45 ILE N N 15 0.3248 0.0244 . . . . . . . 52370 1 39 . 1 1 46 46 PHE N N 15 0.1431 0.0036 . . . . . . . 52370 1 40 . 1 1 47 47 ALA N N 15 0.3445 0.0139 . . . . . . . 52370 1 41 . 1 1 48 48 GLY N N 15 0.4319 0.0219 . . . . . . . 52370 1 42 . 1 1 49 49 LYS N N 15 0.3425 0.0075 . . . . . . . 52370 1 43 . 1 1 50 50 GLN N N 15 0.2902 0.0051 . . . . . . . 52370 1 44 . 1 1 51 51 LEU N N 15 0.3263 0.0119 . . . . . . . 52370 1 45 . 1 1 53 53 ASP N N 15 0.2765 0.0152 . . . . . . . 52370 1 46 . 1 1 54 54 GLY N N 15 0.3736 0.0187 . . . . . . . 52370 1 47 . 1 1 55 55 ARG N N 15 0.3356 0.0122 . . . . . . . 52370 1 48 . 1 1 56 56 THR N N 15 0.3022 0.0073 . . . . . . . 52370 1 49 . 1 1 57 57 LEU N N 15 0.3114 0.0033 . . . . . . . 52370 1 50 . 1 1 58 58 ALA N N 15 0.3098 0.0118 . . . . . . . 52370 1 51 . 1 1 59 59 ASP N N 15 0.3011 0.0097 . . . . . . . 52370 1 52 . 1 1 61 61 ASN N N 15 0.3156 0.0087 . . . . . . . 52370 1 53 . 1 1 63 63 GLN N N 15 0.2812 0.0121 . . . . . . . 52370 1 54 . 1 1 64 64 LYS N N 15 0.3441 0.0167 . . . . . . . 52370 1 55 . 1 1 66 66 SER N N 15 0.209 0.003 . . . . . . . 52370 1 56 . 1 1 67 67 THR N N 15 0.2064 0.0044 . . . . . . . 52370 1 57 . 1 1 68 68 LEU N N 15 0.3356 0.0097 . . . . . . . 52370 1 58 . 1 1 69 69 HIS N N 15 0.3294 0.0151 . . . . . . . 52370 1 59 . 1 1 70 70 LEU N N 15 0.4053 0.0136 . . . . . . . 52370 1 60 . 1 1 71 71 VAL N N 15 0.3546 0.0148 . . . . . . . 52370 1 61 . 1 1 72 72 LEU N N 15 0.4419 0.0205 . . . . . . . 52370 1 62 . 1 1 73 73 ARG N N 15 0.1424 0.0028 . . . . . . . 52370 1 63 . 1 1 74 74 LEU N N 15 0.4742 0.0116 . . . . . . . 52370 1 64 . 1 1 75 75 ARG N N 15 0.4377 0.0139 . . . . . . . 52370 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 52370 _Heteronucl_T1rho_list.ID 2 _Heteronucl_T1rho_list.Name "U' 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 15 'T1rho/R1rho relaxation' . . . 52370 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 . . 52370 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 0.5388 0.0481 . . . . . . . 52370 2 2 . 1 1 3 3 GLN N N 15 0.4659 0.0248 . . . . . . . 52370 2 3 . 1 1 4 4 ILE N N 15 0.3529 0.0311 . . . . . . . 52370 2 4 . 1 1 5 5 PHE N N 15 0.2915 0.0121 . . . . . . . 52370 2 5 . 1 1 6 6 VAL N N 15 0.4673 0.1377 . . . . . . . 52370 2 6 . 1 1 7 7 LYS N N 15 0.3294 0.017 . . . . . . . 52370 2 7 . 1 1 8 8 THR N N 15 0.3022 0.0127 . . . . . . . 52370 2 8 . 1 1 9 9 LEU N N 15 0.2711 0.0183 . . . . . . . 52370 2 9 . 1 1 10 10 THR N N 15 0.1014 0.0024 . . . . . . . 52370 2 10 . 1 1 11 11 GLY N N 15 0.3646 0.0128 . . . . . . . 52370 2 11 . 1 1 12 12 LYS N N 15 0.3503 0.0176 . . . . . . . 52370 2 12 . 1 1 13 13 THR N N 15 0.2884 0.0123 . . . . . . . 52370 2 13 . 1 1 14 14 ILE N N 15 0.253 0.0193 . . . . . . . 52370 2 14 . 1 1 15 15 THR N N 15 0.275 0.0201 . . . . . . . 52370 2 15 . 1 1 16 16 LEU N N 15 0.2839 0.0168 . . . . . . . 52370 2 16 . 1 1 17 17 GLU N N 15 0.2136 0.0053 . . . . . . . 52370 2 17 . 1 1 18 18 VAL N N 15 0.1778 0.003 . . . . . . . 52370 2 18 . 1 1 19 19 GLU N N 15 0.3539 0.0174 . . . . . . . 52370 2 19 . 1 1 20 20 SER N N 15 0.188 0.0025 . . . . . . . 52370 2 20 . 1 1 21 21 SER N N 15 0.3305 0.0236 . . . . . . . 52370 2 21 . 1 1 22 22 ASP N N 15 0.396 0.0135 . . . . . . . 52370 2 22 . 1 1 23 23 THR N N 15 0.3423 0.018 . . . . . . . 52370 2 23 . 1 1 24 24 ILE N N 15 0.374 0.0209 . . . . . . . 52370 2 24 . 1 1 25 25 ASP N N 15 0.4152 0.0285 . . . . . . . 52370 2 25 . 1 1 26 26 ASN N N 15 0.3821 0.0181 . . . . . . . 52370 2 26 . 1 1 27 27 VAL N N 15 0.4041 0.1095 . . . . . . . 52370 2 27 . 1 1 28 28 LYS N N 15 0.347 0.0125 . . . . . . . 52370 2 28 . 1 1 29 29 ALA N N 15 0.3134 0.0174 . . . . . . . 52370 2 29 . 1 1 30 30 LYS N N 15 0.287 0.0108 . . . . . . . 52370 2 30 . 1 1 31 31 ILE N N 15 0.3684 0.02 . . . . . . . 52370 2 31 . 1 1 32 32 GLN N N 15 0.3486 0.0209 . . . . . . . 52370 2 32 . 1 1 33 33 ASP N N 15 0.3948 0.0128 . . . . . . . 52370 2 33 . 1 1 34 34 LYS N N 15 0.2409 0.0263 . . . . . . . 52370 2 34 . 1 1 35 35 GLU N N 15 0.2693 0.0061 . . . . . . . 52370 2 35 . 1 1 36 36 GLY N N 15 0.4353 0.0307 . . . . . . . 52370 2 36 . 1 1 37 37 ILE N N 15 0.2901 0.007 . . . . . . . 52370 2 37 . 1 1 40 40 ASP N N 15 0.3848 0.0268 . . . . . . . 52370 2 38 . 1 1 41 41 GLN N N 15 0.2563 0.0112 . . . . . . . 52370 2 39 . 1 1 42 42 GLN N N 15 1.0672 0.6691 . . . . . . . 52370 2 40 . 1 1 43 43 ARG N N 15 0.2497 0.0116 . . . . . . . 52370 2 41 . 1 1 44 44 LEU N N 15 0.3107 0.0165 . . . . . . . 52370 2 42 . 1 1 45 45 ILE N N 15 3.7475 20.0586 . . . . . . . 52370 2 43 . 1 1 46 46 PHE N N 15 0.2888 0.0139 . . . . . . . 52370 2 44 . 1 1 47 47 ALA N N 15 0.3491 0.0284 . . . . . . . 52370 2 45 . 1 1 48 48 GLY N N 15 0.4418 0.028 . . . . . . . 52370 2 46 . 1 1 49 49 LYS N N 15 0.3994 0.0261 . . . . . . . 52370 2 47 . 1 1 50 50 GLN N N 15 0.3412 0.008 . . . . . . . 52370 2 48 . 1 1 51 51 LEU N N 15 0.4035 0.018 . . . . . . . 52370 2 49 . 1 1 52 52 GLU N N 15 0.2877 0.0257 . . . . . . . 52370 2 50 . 1 1 53 53 ASP N N 15 0.2426 0.0182 . . . . . . . 52370 2 51 . 1 1 54 54 GLY N N 15 0.4466 0.0342 . . . . . . . 52370 2 52 . 1 1 55 55 ARG N N 15 0.3422 0.0142 . . . . . . . 52370 2 53 . 1 1 56 56 THR N N 15 0.3801 0.0393 . . . . . . . 52370 2 54 . 1 1 57 57 LEU N N 15 0.2903 0.0136 . . . . . . . 52370 2 55 . 1 1 58 58 ALA N N 15 0.3567 0.0187 . . . . . . . 52370 2 56 . 1 1 59 59 ASP N N 15 0.3388 0.0223 . . . . . . . 52370 2 57 . 1 1 60 60 TYR N N 15 0.4111 0.0815 . . . . . . . 52370 2 58 . 1 1 61 61 ASN N N 15 0.3365 0.0222 . . . . . . . 52370 2 59 . 1 1 62 62 ILE N N 15 0.2526 0.0483 . . . . . . . 52370 2 60 . 1 1 63 63 GLN N N 15 0.3053 0.0122 . . . . . . . 52370 2 61 . 1 1 64 64 LYS N N 15 0.354 0.0202 . . . . . . . 52370 2 62 . 1 1 66 66 SER N N 15 0.2676 0.0166 . . . . . . . 52370 2 63 . 1 1 67 67 THR N N 15 0.3781 0.0281 . . . . . . . 52370 2 64 . 1 1 68 68 LEU N N 15 0.3304 0.0143 . . . . . . . 52370 2 65 . 1 1 69 69 HIS N N 15 0.318 0.0077 . . . . . . . 52370 2 66 . 1 1 70 70 LEU N N 15 0.4304 0.0274 . . . . . . . 52370 2 67 . 1 1 71 71 VAL N N 15 0.3819 0.0153 . . . . . . . 52370 2 68 . 1 1 72 72 LEU N N 15 0.4952 0.0322 . . . . . . . 52370 2 69 . 1 1 73 73 ARG N N 15 0.1916 0.0144 . . . . . . . 52370 2 70 . 1 1 74 74 LEU N N 15 0.5159 0.0335 . . . . . . . 52370 2 71 . 1 1 75 75 ARG N N 15 0.3107 0.0111 . . . . . . . 52370 2 stop_ save_