data_19993 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19993 _Entry.Title ; Lysyl t-RNA synthetase 1-72 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-29 _Entry.Accession_date 2014-05-29 _Entry.Last_release_date 2014-05-29 _Entry.Original_release_date 2014-05-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical shift assignments, 15N T1,T2 and NOE of LysRS 1-72' _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 Ameeq Mushtaq . U. . . 19993 2 Hye Cho . Y. . . 19993 3 Young Jeon . H. . . 19993 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19993 heteronucl_NOEs 1 19993 heteronucl_T1_relaxation 1 19993 heteronucl_T2_relaxation 1 19993 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 166 19993 '15N chemical shifts' 61 19993 '1H chemical shifts' 226 19993 'T1 relaxation values' 43 19993 'T2 relaxation values' 43 19993 'heteronuclear NOE values' 40 19993 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 . . 2017-07-05 . original BMRB . 19993 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19995 'LysRS Anticodon Binding Domain 72-207' 19993 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19993 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24983501 _Citation.Full_citation . _Citation.Title ; Characterization of the interaction between lysyl-tRNA synthetase and laminin receptor by NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 588 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1873-3468 _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 2851 _Citation.Page_last 2858 _Citation.Year 2014 _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 'Hye Young' Cho H. Y. . . 19993 1 2 Ameeq 'Ul Mushtaq' A. . . . 19993 1 3 'Jin Young' Lee J. Y. . . 19993 1 4 'Dae Gyu' Kim D. G. . . 19993 1 5 'Min Sook' Seok M. S. . . 19993 1 6 Minseok Jang M. . . . 19993 1 7 Byung-Woo Han B. W. . . 19993 1 8 Sunghoon Kim S. . . . 19993 1 9 'Young Ho' Jeon Y. H. . . 19993 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19993 _Assembly.ID 1 _Assembly.Name LysRS1-72 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'Lysyl t-RNA synthetase1-72' 1 $LysRS1-72 A . yes native no no . . . 19993 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LysRS1-72 _Entity.Sf_category entity _Entity.Sf_framecode LysRS1-72 _Entity.Entry_ID 19993 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LysRS1-72 _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 ; MAAVQAAEVKVDGSEPKLSK NELKRRLKAEKKVAEKEAKQ KELSEKQLSQATAAATNHTT DNGVGPEEESVD ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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_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 . 19993 1 2 . ALA . 19993 1 3 . ALA . 19993 1 4 . VAL . 19993 1 5 . GLN . 19993 1 6 . ALA . 19993 1 7 . ALA . 19993 1 8 . GLU . 19993 1 9 . VAL . 19993 1 10 . LYS . 19993 1 11 . VAL . 19993 1 12 . ASP . 19993 1 13 . GLY . 19993 1 14 . SER . 19993 1 15 . GLU . 19993 1 16 . PRO . 19993 1 17 . LYS . 19993 1 18 . LEU . 19993 1 19 . SER . 19993 1 20 . LYS . 19993 1 21 . ASN . 19993 1 22 . GLU . 19993 1 23 . LEU . 19993 1 24 . LYS . 19993 1 25 . ARG . 19993 1 26 . ARG . 19993 1 27 . LEU . 19993 1 28 . LYS . 19993 1 29 . ALA . 19993 1 30 . GLU . 19993 1 31 . LYS . 19993 1 32 . LYS . 19993 1 33 . VAL . 19993 1 34 . ALA . 19993 1 35 . GLU . 19993 1 36 . LYS . 19993 1 37 . GLU . 19993 1 38 . ALA . 19993 1 39 . LYS . 19993 1 40 . GLN . 19993 1 41 . LYS . 19993 1 42 . GLU . 19993 1 43 . LEU . 19993 1 44 . SER . 19993 1 45 . GLU . 19993 1 46 . LYS . 19993 1 47 . GLN . 19993 1 48 . LEU . 19993 1 49 . SER . 19993 1 50 . GLN . 19993 1 51 . ALA . 19993 1 52 . THR . 19993 1 53 . ALA . 19993 1 54 . ALA . 19993 1 55 . ALA . 19993 1 56 . THR . 19993 1 57 . ASN . 19993 1 58 . HIS . 19993 1 59 . THR . 19993 1 60 . THR . 19993 1 61 . ASP . 19993 1 62 . ASN . 19993 1 63 . GLY . 19993 1 64 . VAL . 19993 1 65 . GLY . 19993 1 66 . PRO . 19993 1 67 . GLU . 19993 1 68 . GLU . 19993 1 69 . GLU . 19993 1 70 . SER . 19993 1 71 . VAL . 19993 1 72 . ASP . 19993 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 19993 1 . ALA 2 2 19993 1 . ALA 3 3 19993 1 . VAL 4 4 19993 1 . GLN 5 5 19993 1 . ALA 6 6 19993 1 . ALA 7 7 19993 1 . GLU 8 8 19993 1 . VAL 9 9 19993 1 . LYS 10 10 19993 1 . VAL 11 11 19993 1 . ASP 12 12 19993 1 . GLY 13 13 19993 1 . SER 14 14 19993 1 . GLU 15 15 19993 1 . PRO 16 16 19993 1 . LYS 17 17 19993 1 . LEU 18 18 19993 1 . SER 19 19 19993 1 . LYS 20 20 19993 1 . ASN 21 21 19993 1 . GLU 22 22 19993 1 . LEU 23 23 19993 1 . LYS 24 24 19993 1 . ARG 25 25 19993 1 . ARG 26 26 19993 1 . LEU 27 27 19993 1 . LYS 28 28 19993 1 . ALA 29 29 19993 1 . GLU 30 30 19993 1 . LYS 31 31 19993 1 . LYS 32 32 19993 1 . VAL 33 33 19993 1 . ALA 34 34 19993 1 . GLU 35 35 19993 1 . LYS 36 36 19993 1 . GLU 37 37 19993 1 . ALA 38 38 19993 1 . LYS 39 39 19993 1 . GLN 40 40 19993 1 . LYS 41 41 19993 1 . GLU 42 42 19993 1 . LEU 43 43 19993 1 . SER 44 44 19993 1 . GLU 45 45 19993 1 . LYS 46 46 19993 1 . GLN 47 47 19993 1 . LEU 48 48 19993 1 . SER 49 49 19993 1 . GLN 50 50 19993 1 . ALA 51 51 19993 1 . THR 52 52 19993 1 . ALA 53 53 19993 1 . ALA 54 54 19993 1 . ALA 55 55 19993 1 . THR 56 56 19993 1 . ASN 57 57 19993 1 . HIS 58 58 19993 1 . THR 59 59 19993 1 . THR 60 60 19993 1 . ASP 61 61 19993 1 . ASN 62 62 19993 1 . GLY 63 63 19993 1 . VAL 64 64 19993 1 . GLY 65 65 19993 1 . PRO 66 66 19993 1 . GLU 67 67 19993 1 . GLU 68 68 19993 1 . GLU 69 69 19993 1 . SER 70 70 19993 1 . VAL 71 71 19993 1 . ASP 72 72 19993 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19993 _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 $LysRS1-72 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19993 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19993 _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 $LysRS1-72 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-4T-1 . . . 19993 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19993 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LysRS residues 1-72' '[U-13C; U-15N]' . . 1 $LysRS1-72 . . 0.2 . . mM . . . . 19993 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19993 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 19993 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19993 1 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 19993 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19993 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19993 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19993 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LysRS residues 1-72' [U-15N] . . 1 $LysRS1-72 . . 0.2 . . mM . . . . 19993 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19993 2 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 19993 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19993 2 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 19993 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19993 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19993 2 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 19993 _Sample_condition_list.ID 1 _Sample_condition_list.Details '0.2mM of 13C/15N labelled protein in 100mM NaCl, 20mM HEPES buffer.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 19993 1 pressure 1 . atm 19993 1 temperature 303 . K 19993 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 19993 _Software.ID 1 _Software.Name CCPN _Software.Version 2.1.5 _Software.Details ; Chemical shift assignment with CCPN2.1.5. Relaxation analysis with SPARKY3.113 ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19993 1 Goddard . . 19993 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Relaxation data analysis' 19993 1 'chemical shift assignment' 19993 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19993 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19993 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19993 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19993 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 9 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 11 '2D 1H-15N HSQC -T2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 12 '2D 1H-15N HSQC-T1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 13 '2D 1H-15N HSQC-NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19993 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19993 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 . . . . . 19993 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 19993 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 19993 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19993 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19993 1 2 '3D CBCA(CO)NH' . . . 19993 1 3 '3D HNCACB' . . . 19993 1 4 '3D HNCO' . . . 19993 1 5 '3D HCACO' . . . 19993 1 6 '3D HNCA' . . . 19993 1 7 '3D C(CO)NH' . . . 19993 1 8 '3D HBHA(CO)NH' . . . 19993 1 9 '3D HBHANH' . . . 19993 1 10 '3D HN(CO)CA' . . . 19993 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 $CCPN . . 19993 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.513 . . 1 . . . . 1 M HA . 19993 1 2 . 1 1 1 1 MET HB2 H 1 2.108 . . 1 . . . . 1 M HB2 . 19993 1 3 . 1 1 1 1 MET HB3 H 1 2.011 . . 1 . . . . 1 M HB3 . 19993 1 4 . 1 1 1 1 MET C C 13 175.960 . . 1 . . . . 1 M C . 19993 1 5 . 1 1 1 1 MET CA C 13 55.491 . . 1 . . . . 1 M CA . 19993 1 6 . 1 1 1 1 MET CB C 13 32.813 . . 1 . . . . 1 M CB . 19993 1 7 . 1 1 2 2 ALA H H 1 8.206 . . 1 . . . . 2 A HN . 19993 1 8 . 1 1 2 2 ALA HA H 1 4.281 . . 1 . . . . 2 A HA . 19993 1 9 . 1 1 2 2 ALA HB1 H 1 1.386 . . 1 . . . . 2 A QB . 19993 1 10 . 1 1 2 2 ALA HB2 H 1 1.386 . . 1 . . . . 2 A QB . 19993 1 11 . 1 1 2 2 ALA HB3 H 1 1.386 . . 1 . . . . 2 A QB . 19993 1 12 . 1 1 2 2 ALA C C 13 177.428 . . 1 . . . . 2 A C . 19993 1 13 . 1 1 2 2 ALA CA C 13 52.535 . . 1 . . . . 2 A CA . 19993 1 14 . 1 1 2 2 ALA CB C 13 19.059 . . 1 . . . . 2 A CB . 19993 1 15 . 1 1 2 2 ALA N N 15 126.180 . . 1 . . . . 2 A N . 19993 1 16 . 1 1 3 3 ALA H H 1 8.162 . . 1 . . . . 3 A HN . 19993 1 17 . 1 1 3 3 ALA HA H 1 4.312 . . 1 . . . . 3 A HA . 19993 1 18 . 1 1 3 3 ALA HB1 H 1 1.383 . . 1 . . . . 3 A QB . 19993 1 19 . 1 1 3 3 ALA HB2 H 1 1.383 . . 1 . . . . 3 A QB . 19993 1 20 . 1 1 3 3 ALA HB3 H 1 1.383 . . 1 . . . . 3 A QB . 19993 1 21 . 1 1 3 3 ALA C C 13 177.812 . . 1 . . . . 3 A C . 19993 1 22 . 1 1 3 3 ALA CA C 13 52.378 . . 1 . . . . 3 A CA . 19993 1 23 . 1 1 3 3 ALA CB C 13 19.032 . . 1 . . . . 3 A CB . 19993 1 24 . 1 1 3 3 ALA N N 15 124.211 . . 1 . . . . 3 A N . 19993 1 25 . 1 1 4 4 VAL H H 1 8.005 . . 1 . . . . 4 V HN . 19993 1 26 . 1 1 4 4 VAL HA H 1 4.069 . . 1 . . . . 4 V HA . 19993 1 27 . 1 1 4 4 VAL HB H 1 2.051 . . 1 . . . . 4 V HB . 19993 1 28 . 1 1 4 4 VAL C C 13 176.253 . . 1 . . . . 4 V C . 19993 1 29 . 1 1 4 4 VAL CA C 13 62.299 . . 1 . . . . 4 V CA . 19993 1 30 . 1 1 4 4 VAL CB C 13 32.778 . . 1 . . . . 4 V CB . 19993 1 31 . 1 1 4 4 VAL N N 15 120.475 . . 1 . . . . 4 V N . 19993 1 32 . 1 1 5 5 GLN H H 1 8.331 . . 1 . . . . 5 Q HN . 19993 1 33 . 1 1 5 5 GLN HA H 1 4.325 . . 1 . . . . 5 Q HA . 19993 1 34 . 1 1 5 5 GLN C C 13 175.621 . . 1 . . . . 5 Q C . 19993 1 35 . 1 1 5 5 GLN CA C 13 55.696 . . 1 . . . . 5 Q CA . 19993 1 36 . 1 1 5 5 GLN CB C 13 29.404 . . 1 . . . . 5 Q CB . 19993 1 37 . 1 1 5 5 GLN N N 15 125.106 . . 1 . . . . 5 Q N . 19993 1 38 . 1 1 6 6 ALA H H 1 8.238 . . 1 . . . . 6 A HN . 19993 1 39 . 1 1 6 6 ALA HA H 1 4.283 . . 1 . . . . 6 A HA . 19993 1 40 . 1 1 6 6 ALA HB1 H 1 1.394 . . 1 . . . . 6 A QB . 19993 1 41 . 1 1 6 6 ALA HB2 H 1 1.394 . . 1 . . . . 6 A QB . 19993 1 42 . 1 1 6 6 ALA HB3 H 1 1.394 . . 1 . . . . 6 A QB . 19993 1 43 . 1 1 6 6 ALA C C 13 177.350 . . 1 . . . . 6 A C . 19993 1 44 . 1 1 6 6 ALA CA C 13 52.501 . . 1 . . . . 6 A CA . 19993 1 45 . 1 1 6 6 ALA CB C 13 19.089 . . 1 . . . . 6 A CB . 19993 1 46 . 1 1 6 6 ALA N N 15 126.212 . . 1 . . . . 6 A N . 19993 1 47 . 1 1 7 7 ALA H H 1 8.223 . . 1 . . . . 7 A HN . 19993 1 48 . 1 1 7 7 ALA HA H 1 4.309 . . 1 . . . . 7 A HA . 19993 1 49 . 1 1 7 7 ALA HB1 H 1 1.387 . . 1 . . . . 7 A QB . 19993 1 50 . 1 1 7 7 ALA HB2 H 1 1.387 . . 1 . . . . 7 A QB . 19993 1 51 . 1 1 7 7 ALA HB3 H 1 1.387 . . 1 . . . . 7 A QB . 19993 1 52 . 1 1 7 7 ALA C C 13 177.782 . . 1 . . . . 7 A C . 19993 1 53 . 1 1 7 7 ALA CA C 13 52.430 . . 1 . . . . 7 A CA . 19993 1 54 . 1 1 7 7 ALA CB C 13 19.171 . . 1 . . . . 7 A CB . 19993 1 55 . 1 1 7 7 ALA N N 15 124.473 . . 1 . . . . 7 A N . 19993 1 56 . 1 1 8 8 GLU H H 1 8.234 . . 1 . . . . 8 E HN . 19993 1 57 . 1 1 8 8 GLU HA H 1 4.267 . . 1 . . . . 8 E HA . 19993 1 58 . 1 1 8 8 GLU HB2 H 1 1.937 . . 1 . . . . 8 E HB2 . 19993 1 59 . 1 1 8 8 GLU HB3 H 1 1.981 . . 1 . . . . 8 E HB3 . 19993 1 60 . 1 1 8 8 GLU C C 13 176.294 . . 1 . . . . 8 E C . 19993 1 61 . 1 1 8 8 GLU CA C 13 56.461 . . 1 . . . . 8 E CA . 19993 1 62 . 1 1 8 8 GLU CB C 13 30.438 . . 1 . . . . 8 E CB . 19993 1 63 . 1 1 8 8 GLU N N 15 121.125 . . 1 . . . . 8 E N . 19993 1 64 . 1 1 9 9 VAL H H 1 8.100 . . 1 . . . . 9 V HN . 19993 1 65 . 1 1 9 9 VAL HA H 1 4.072 . . 1 . . . . 9 V HA . 19993 1 66 . 1 1 9 9 VAL HB H 1 2.024 . . 1 . . . . 9 V HB . 19993 1 67 . 1 1 9 9 VAL C C 13 175.785 . . 1 . . . . 9 V C . 19993 1 68 . 1 1 9 9 VAL CA C 13 62.258 . . 1 . . . . 9 V CA . 19993 1 69 . 1 1 9 9 VAL CB C 13 32.755 . . 1 . . . . 9 V CB . 19993 1 70 . 1 1 9 9 VAL N N 15 123.099 . . 1 . . . . 9 V N . 19993 1 71 . 1 1 10 10 LYS H H 1 8.359 . . 1 . . . . 10 K HN . 19993 1 72 . 1 1 10 10 LYS HA H 1 4.261 . . 1 . . . . 10 K HA . 19993 1 73 . 1 1 10 10 LYS HB2 H 1 1.746 . . 1 . . . . 10 K HB2 . 19993 1 74 . 1 1 10 10 LYS HB3 H 1 1.795 . . 1 . . . . 10 K HB3 . 19993 1 75 . 1 1 10 10 LYS C C 13 176.397 . . 1 . . . . 10 K C . 19993 1 76 . 1 1 10 10 LYS CA C 13 55.904 . . 1 . . . . 10 K CA . 19993 1 77 . 1 1 10 10 LYS N N 15 127.174 . . 1 . . . . 10 K N . 19993 1 78 . 1 1 11 11 VAL H H 1 8.244 . . 1 . . . . 11 V HN . 19993 1 79 . 1 1 11 11 VAL HA H 1 4.161 . . 1 . . . . 11 V HA . 19993 1 80 . 1 1 11 11 VAL HB H 1 2.065 . . 1 . . . . 11 V HB . 19993 1 81 . 1 1 11 11 VAL C C 13 175.895 . . 1 . . . . 11 V C . 19993 1 82 . 1 1 11 11 VAL CA C 13 62.044 . . 1 . . . . 11 V CA . 19993 1 83 . 1 1 11 11 VAL CB C 13 32.961 . . 1 . . . . 11 V CB . 19993 1 84 . 1 1 11 11 VAL CG2 C 13 17.982 . . 1 . . . . 11 V CG2 . 19993 1 85 . 1 1 11 11 VAL N N 15 123.080 . . 1 . . . . 11 V N . 19993 1 86 . 1 1 12 12 ASP H H 1 8.432 . . 1 . . . . 12 D HN . 19993 1 87 . 1 1 12 12 ASP HA H 1 4.621 . . 1 . . . . 12 D HA . 19993 1 88 . 1 1 12 12 ASP HB3 H 1 2.694 . . 1 . . . . 12 D HB3 . 19993 1 89 . 1 1 12 12 ASP C C 13 176.756 . . 1 . . . . 12 D C . 19993 1 90 . 1 1 12 12 ASP CA C 13 54.376 . . 1 . . . . 12 D CA . 19993 1 91 . 1 1 12 12 ASP CB C 13 41.252 . . 1 . . . . 12 D CB . 19993 1 92 . 1 1 12 12 ASP N N 15 125.222 . . 1 . . . . 12 D N . 19993 1 93 . 1 1 13 13 GLY H H 1 8.383 . . 1 . . . . 13 G HN . 19993 1 94 . 1 1 13 13 GLY HA2 H 1 4.006 . . 1 . . . . 13 G HA1 . 19993 1 95 . 1 1 13 13 GLY HA3 H 1 4.004 . . 1 . . . . 13 G HA2 . 19993 1 96 . 1 1 13 13 GLY C C 13 174.387 . . 1 . . . . 13 G C . 19993 1 97 . 1 1 13 13 GLY CA C 13 45.451 . . 1 . . . . 13 G CA . 19993 1 98 . 1 1 13 13 GLY N N 15 110.983 . . 1 . . . . 13 G N . 19993 1 99 . 1 1 14 14 SER H H 1 8.167 . . 1 . . . . 14 S HN . 19993 1 100 . 1 1 14 14 SER HA H 1 4.435 . . 1 . . . . 14 S HA . 19993 1 101 . 1 1 14 14 SER HB3 H 1 3.875 . . 1 . . . . 14 S HB3 . 19993 1 102 . 1 1 14 14 SER C C 13 174.247 . . 1 . . . . 14 S C . 19993 1 103 . 1 1 14 14 SER CA C 13 58.504 . . 1 . . . . 14 S CA . 19993 1 104 . 1 1 14 14 SER CB C 13 63.939 . . 1 . . . . 14 S CB . 19993 1 105 . 1 1 14 14 SER N N 15 116.514 . . 1 . . . . 14 S N . 19993 1 106 . 1 1 15 15 GLU H H 1 8.332 . . 1 . . . . 15 E HN . 19993 1 107 . 1 1 15 15 GLU HA H 1 4.589 . . 1 . . . . 15 E HA . 19993 1 108 . 1 1 15 15 GLU HB2 H 1 2.051 . . 1 . . . . 15 E HB2 . 19993 1 109 . 1 1 15 15 GLU HB3 H 1 1.933 . . 1 . . . . 15 E HB3 . 19993 1 110 . 1 1 15 15 GLU C C 13 174.520 . . 1 . . . . 15 E C . 19993 1 111 . 1 1 15 15 GLU CA C 13 54.685 . . 1 . . . . 15 E CA . 19993 1 112 . 1 1 15 15 GLU CB C 13 29.590 . . 1 . . . . 15 E CB . 19993 1 113 . 1 1 15 15 GLU N N 15 124.518 . . 1 . . . . 15 E N . 19993 1 114 . 1 1 16 16 PRO HA H 1 4.405 . . 1 . . . . 16 P HA . 19993 1 115 . 1 1 16 16 PRO HB2 H 1 2.291 . . 1 . . . . 16 P HB2 . 19993 1 116 . 1 1 16 16 PRO HB3 H 1 1.876 . . 1 . . . . 16 P HB3 . 19993 1 117 . 1 1 17 17 LYS H H 1 8.372 . . 1 . . . . 17 K HN . 19993 1 118 . 1 1 17 17 LYS HA H 1 4.310 . . 1 . . . . 17 K HA . 19993 1 119 . 1 1 17 17 LYS HB2 H 1 1.774 . . 1 . . . . 17 K HB2 . 19993 1 120 . 1 1 17 17 LYS HB3 H 1 1.827 . . 1 . . . . 17 K HB3 . 19993 1 121 . 1 1 17 17 LYS C C 13 176.583 . . 1 . . . . 17 K C . 19993 1 122 . 1 1 17 17 LYS CA C 13 56.194 . . 1 . . . . 17 K CA . 19993 1 123 . 1 1 17 17 LYS N N 15 122.409 . . 1 . . . . 17 K N . 19993 1 124 . 1 1 18 18 LEU H H 1 8.088 . . 1 . . . . 18 L HN . 19993 1 125 . 1 1 18 18 LEU HA H 1 4.327 . . 1 . . . . 18 L HA . 19993 1 126 . 1 1 18 18 LEU HB2 H 1 1.712 . . 1 . . . . 18 L HB2 . 19993 1 127 . 1 1 18 18 LEU HB3 H 1 1.591 . . 1 . . . . 18 L HB3 . 19993 1 128 . 1 1 18 18 LEU C C 13 178.052 . . 1 . . . . 18 L C . 19993 1 129 . 1 1 18 18 LEU CA C 13 55.955 . . 1 . . . . 18 L CA . 19993 1 130 . 1 1 18 18 LEU CB C 13 42.213 . . 1 . . . . 18 L CB . 19993 1 131 . 1 1 18 18 LEU N N 15 122.898 . . 1 . . . . 18 L N . 19993 1 132 . 1 1 19 19 SER H H 1 8.143 . . 1 . . . . 19 S HN . 19993 1 133 . 1 1 19 19 SER HA H 1 4.419 . . 1 . . . . 19 S HA . 19993 1 134 . 1 1 19 19 SER HB3 H 1 3.917 . . 1 . . . . 19 S HB3 . 19993 1 135 . 1 1 19 19 SER C C 13 174.940 . . 1 . . . . 19 S C . 19993 1 136 . 1 1 19 19 SER CA C 13 58.739 . . 1 . . . . 19 S CA . 19993 1 137 . 1 1 19 19 SER CB C 13 63.665 . . 1 . . . . 19 S CB . 19993 1 138 . 1 1 19 19 SER N N 15 116.606 . . 1 . . . . 19 S N . 19993 1 139 . 1 1 22 22 GLU H H 1 8.092 . . 1 . . . . 22 E HN . 19993 1 140 . 1 1 22 22 GLU HA H 1 4.204 . . 1 . . . . 22 E HA . 19993 1 141 . 1 1 22 22 GLU HB2 H 1 2.053 . . 1 . . . . 22 E HB2 . 19993 1 142 . 1 1 22 22 GLU HB3 H 1 2.051 . . 1 . . . . 22 E HB3 . 19993 1 143 . 1 1 22 22 GLU CA C 13 57.719 . . 1 . . . . 22 E CA . 19993 1 144 . 1 1 22 22 GLU CB C 13 29.837 . . 1 . . . . 22 E CB . 19993 1 145 . 1 1 22 22 GLU N N 15 122.449 . . 1 . . . . 22 E N . 19993 1 146 . 1 1 23 23 LEU H H 1 8.137 . . 1 . . . . 23 L HN . 19993 1 147 . 1 1 23 23 LEU HA H 1 4.172 . . 1 . . . . 23 L HA . 19993 1 148 . 1 1 23 23 LEU HB2 H 1 1.622 . . 1 . . . . 23 L HB2 . 19993 1 149 . 1 1 23 23 LEU HB3 H 1 1.629 . . 1 . . . . 23 L HB3 . 19993 1 150 . 1 1 23 23 LEU C C 13 178.254 . . 1 . . . . 23 L C . 19993 1 151 . 1 1 23 23 LEU CA C 13 56.747 . . 1 . . . . 23 L CA . 19993 1 152 . 1 1 23 23 LEU CB C 13 42.181 . . 1 . . . . 23 L CB . 19993 1 153 . 1 1 23 23 LEU N N 15 122.726 . . 1 . . . . 23 L N . 19993 1 154 . 1 1 24 24 LYS H H 1 7.949 . . 1 . . . . 24 K HN . 19993 1 155 . 1 1 24 24 LYS HA H 1 4.160 . . 1 . . . . 24 K HA . 19993 1 156 . 1 1 24 24 LYS HB2 H 1 1.861 . . 1 . . . . 24 K HB2 . 19993 1 157 . 1 1 24 24 LYS HB3 H 1 1.852 . . 1 . . . . 24 K HB3 . 19993 1 158 . 1 1 24 24 LYS C C 13 177.641 . . 1 . . . . 24 K C . 19993 1 159 . 1 1 24 24 LYS CA C 13 57.749 . . 1 . . . . 24 K CA . 19993 1 160 . 1 1 24 24 LYS CB C 13 32.529 . . 1 . . . . 24 K CB . 19993 1 161 . 1 1 24 24 LYS N N 15 120.565 . . 1 . . . . 24 K N . 19993 1 162 . 1 1 25 25 ARG H H 1 7.906 . . 1 . . . . 25 R HN . 19993 1 163 . 1 1 25 25 ARG HA H 1 4.178 . . 1 . . . . 25 R HA . 19993 1 164 . 1 1 25 25 ARG HB2 H 1 1.866 . . 1 . . . . 25 R HB2 . 19993 1 165 . 1 1 25 25 ARG C C 13 177.389 . . 1 . . . . 25 R C . 19993 1 166 . 1 1 25 25 ARG CA C 13 57.480 . . 1 . . . . 25 R CA . 19993 1 167 . 1 1 25 25 ARG CB C 13 30.549 . . 1 . . . . 25 R CB . 19993 1 168 . 1 1 25 25 ARG N N 15 121.329 . . 1 . . . . 25 R N . 19993 1 169 . 1 1 26 26 ARG H H 1 8.123 . . 1 . . . . 26 R HN . 19993 1 170 . 1 1 26 26 ARG HA H 1 4.266 . . 1 . . . . 26 R HA . 19993 1 171 . 1 1 26 26 ARG C C 13 177.063 . . 1 . . . . 26 R C . 19993 1 172 . 1 1 26 26 ARG CA C 13 56.473 . . 1 . . . . 26 R CA . 19993 1 173 . 1 1 26 26 ARG N N 15 121.973 . . 1 . . . . 26 R N . 19993 1 174 . 1 1 27 27 LEU H H 1 8.168 . . 1 . . . . 27 L HN . 19993 1 175 . 1 1 27 27 LEU HA H 1 4.272 . . 1 . . . . 27 L HA . 19993 1 176 . 1 1 27 27 LEU HB2 H 1 1.725 . . 1 . . . . 27 L HB2 . 19993 1 177 . 1 1 27 27 LEU HB3 H 1 1.587 . . 1 . . . . 27 L HB3 . 19993 1 178 . 1 1 27 27 LEU C C 13 177.958 . . 1 . . . . 27 L C . 19993 1 179 . 1 1 27 27 LEU CA C 13 55.731 . . 1 . . . . 27 L CA . 19993 1 180 . 1 1 27 27 LEU CB C 13 42.285 . . 1 . . . . 27 L CB . 19993 1 181 . 1 1 27 27 LEU N N 15 123.493 . . 1 . . . . 27 L N . 19993 1 182 . 1 1 28 28 LYS H H 1 8.013 . . 1 . . . . 28 K HN . 19993 1 183 . 1 1 28 28 LYS HA H 1 4.215 . . 1 . . . . 28 K HA . 19993 1 184 . 1 1 28 28 LYS HB3 H 1 1.833 . . 1 . . . . 28 K HB3 . 19993 1 185 . 1 1 28 28 LYS C C 13 176.839 . . 1 . . . . 28 K C . 19993 1 186 . 1 1 28 28 LYS CA C 13 57.105 . . 1 . . . . 28 K CA . 19993 1 187 . 1 1 28 28 LYS CB C 13 32.862 . . 1 . . . . 28 K CB . 19993 1 188 . 1 1 28 28 LYS N N 15 121.805 . . 1 . . . . 28 K N . 19993 1 189 . 1 1 29 29 ALA HA H 1 4.282 . . 1 . . . . 29 A HA . 19993 1 190 . 1 1 29 29 ALA HB1 H 1 1.423 . . 1 . . . . 29 A QB . 19993 1 191 . 1 1 29 29 ALA HB2 H 1 1.423 . . 1 . . . . 29 A QB . 19993 1 192 . 1 1 29 29 ALA HB3 H 1 1.423 . . 1 . . . . 29 A QB . 19993 1 193 . 1 1 29 29 ALA CA C 13 52.991 . . 1 . . . . 29 A CA . 19993 1 194 . 1 1 29 29 ALA CB C 13 19.019 . . 1 . . . . 29 A CB . 19993 1 195 . 1 1 29 29 ALA N N 15 125.020 . . 1 . . . . 29 A N . 19993 1 196 . 1 1 30 30 GLU H H 1 8.121 . . 1 . . . . 30 E HN . 19993 1 197 . 1 1 30 30 GLU HA H 1 4.210 . . 1 . . . . 30 E HA . 19993 1 198 . 1 1 30 30 GLU HB2 H 1 2.009 . . 1 . . . . 30 E HB2 . 19993 1 199 . 1 1 30 30 GLU HB3 H 1 2.029 . . 1 . . . . 30 E HB3 . 19993 1 200 . 1 1 30 30 GLU C C 13 178.508 . . 1 . . . . 30 E C . 19993 1 201 . 1 1 30 30 GLU CA C 13 56.847 . . 1 . . . . 30 E CA . 19993 1 202 . 1 1 30 30 GLU CB C 13 30.441 . . 1 . . . . 30 E CB . 19993 1 203 . 1 1 30 30 GLU N N 15 120.653 . . 1 . . . . 30 E N . 19993 1 204 . 1 1 31 31 LYS H H 1 8.310 . . 1 . . . . 31 K HN . 19993 1 205 . 1 1 31 31 LYS HA H 1 4.235 . . 1 . . . . 31 K HA . 19993 1 206 . 1 1 31 31 LYS C C 13 177.340 . . 1 . . . . 31 K C . 19993 1 207 . 1 1 31 31 LYS CA C 13 57.502 . . 1 . . . . 31 K CA . 19993 1 208 . 1 1 31 31 LYS N N 15 123.015 . . 1 . . . . 31 K N . 19993 1 209 . 1 1 32 32 LYS H H 1 8.095 . . 1 . . . . 32 K HN . 19993 1 210 . 1 1 32 32 LYS HA H 1 4.235 . . 1 . . . . 32 K HA . 19993 1 211 . 1 1 32 32 LYS HB3 H 1 1.828 . . 1 . . . . 32 K HB3 . 19993 1 212 . 1 1 32 32 LYS C C 13 177.088 . . 1 . . . . 32 K C . 19993 1 213 . 1 1 32 32 LYS CA C 13 57.145 . . 1 . . . . 32 K CA . 19993 1 214 . 1 1 32 32 LYS CB C 13 32.664 . . 1 . . . . 32 K CB . 19993 1 215 . 1 1 32 32 LYS N N 15 121.948 . . 1 . . . . 32 K N . 19993 1 216 . 1 1 33 33 VAL H H 1 8.019 . . 1 . . . . 33 V HN . 19993 1 217 . 1 1 33 33 VAL HA H 1 4.021 . . 1 . . . . 33 V HA . 19993 1 218 . 1 1 33 33 VAL HB H 1 2.083 . . 1 . . . . 33 V HB . 19993 1 219 . 1 1 33 33 VAL C C 13 176.220 . . 1 . . . . 33 V C . 19993 1 220 . 1 1 33 33 VAL CA C 13 62.972 . . 1 . . . . 33 V CA . 19993 1 221 . 1 1 33 33 VAL CB C 13 32.756 . . 1 . . . . 33 V CB . 19993 1 222 . 1 1 33 33 VAL N N 15 122.412 . . 1 . . . . 33 V N . 19993 1 223 . 1 1 34 34 ALA H H 1 8.039 . . 1 . . . . 34 A HN . 19993 1 224 . 1 1 34 34 ALA HA H 1 4.294 . . 1 . . . . 34 A HA . 19993 1 225 . 1 1 34 34 ALA HB1 H 1 1.422 . . 1 . . . . 34 A QB . 19993 1 226 . 1 1 34 34 ALA HB2 H 1 1.422 . . 1 . . . . 34 A QB . 19993 1 227 . 1 1 34 34 ALA HB3 H 1 1.422 . . 1 . . . . 34 A QB . 19993 1 228 . 1 1 34 34 ALA C C 13 178.182 . . 1 . . . . 34 A C . 19993 1 229 . 1 1 34 34 ALA CA C 13 52.996 . . 1 . . . . 34 A CA . 19993 1 230 . 1 1 34 34 ALA N N 15 127.602 . . 1 . . . . 34 A N . 19993 1 231 . 1 1 35 35 GLU H H 1 8.206 . . 1 . . . . 35 E HN . 19993 1 232 . 1 1 35 35 GLU HA H 1 4.234 . . 1 . . . . 35 E HA . 19993 1 233 . 1 1 35 35 GLU HB2 H 1 2.009 . . 1 . . . . 35 E HB2 . 19993 1 234 . 1 1 35 35 GLU C C 13 176.941 . . 1 . . . . 35 E C . 19993 1 235 . 1 1 35 35 GLU CA C 13 56.935 . . 1 . . . . 35 E CA . 19993 1 236 . 1 1 35 35 GLU CB C 13 30.425 . . 1 . . . . 35 E CB . 19993 1 237 . 1 1 35 35 GLU N N 15 120.861 . . 1 . . . . 35 E N . 19993 1 238 . 1 1 36 36 LYS H H 1 8.180 . . 1 . . . . 36 K HN . 19993 1 239 . 1 1 36 36 LYS HA H 1 4.248 . . 1 . . . . 36 K HA . 19993 1 240 . 1 1 36 36 LYS HB3 H 1 2.083 . . 1 . . . . 36 K HB3 . 19993 1 241 . 1 1 36 36 LYS C C 13 176.732 . . 1 . . . . 36 K C . 19993 1 242 . 1 1 36 36 LYS CA C 13 56.457 . . 1 . . . . 36 K CA . 19993 1 243 . 1 1 36 36 LYS CB C 13 29.010 . . 1 . . . . 36 K CB . 19993 1 244 . 1 1 36 36 LYS N N 15 121.516 . . 1 . . . . 36 K N . 19993 1 245 . 1 1 37 37 GLU H H 1 8.179 . . 1 . . . . 37 E HN . 19993 1 246 . 1 1 37 37 GLU HA H 1 4.252 . . 1 . . . . 37 E HA . 19993 1 247 . 1 1 37 37 GLU HB2 H 1 1.821 . . 1 . . . . 37 E HB2 . 19993 1 248 . 1 1 37 37 GLU C C 13 176.732 . . 1 . . . . 37 E C . 19993 1 249 . 1 1 37 37 GLU CA C 13 57.254 . . 1 . . . . 37 E CA . 19993 1 250 . 1 1 37 37 GLU CB C 13 29.787 . . 1 . . . . 37 E CB . 19993 1 251 . 1 1 37 37 GLU N N 15 122.992 . . 1 . . . . 37 E N . 19993 1 252 . 1 1 39 39 LYS H H 1 7.973 . . 1 . . . . 39 K HN . 19993 1 253 . 1 1 39 39 LYS CA C 13 62.400 . . 1 . . . . 39 K CA . 19993 1 254 . 1 1 39 39 LYS CB C 13 32.712 . . 1 . . . . 39 K CB . 19993 1 255 . 1 1 39 39 LYS N N 15 119.537 . . 1 . . . . 39 K N . 19993 1 256 . 1 1 40 40 GLN H H 1 8.239 . . 1 . . . . 40 Q HN . 19993 1 257 . 1 1 40 40 GLN HA H 1 4.216 . . 1 . . . . 40 Q HA . 19993 1 258 . 1 1 40 40 GLN HB3 H 1 2.024 . . 1 . . . . 40 Q HB3 . 19993 1 259 . 1 1 40 40 GLN C C 13 177.032 . . 1 . . . . 40 Q C . 19993 1 260 . 1 1 40 40 GLN CA C 13 56.692 . . 1 . . . . 40 Q CA . 19993 1 261 . 1 1 40 40 GLN CB C 13 30.290 . . 1 . . . . 40 Q CB . 19993 1 262 . 1 1 40 40 GLN N N 15 122.045 . . 1 . . . . 40 Q N . 19993 1 263 . 1 1 41 41 LYS H H 1 8.474 . . 1 . . . . 41 K HN . 19993 1 264 . 1 1 41 41 LYS HA H 1 4.299 . . 1 . . . . 41 K HA . 19993 1 265 . 1 1 41 41 LYS HB3 H 1 1.916 . . 1 . . . . 41 K HB3 . 19993 1 266 . 1 1 41 41 LYS C C 13 176.265 . . 1 . . . . 41 K C . 19993 1 267 . 1 1 41 41 LYS CA C 13 56.423 . . 1 . . . . 41 K CA . 19993 1 268 . 1 1 41 41 LYS N N 15 123.052 . . 1 . . . . 41 K N . 19993 1 269 . 1 1 42 42 GLU H H 1 8.132 . . 1 . . . . 42 E HN . 19993 1 270 . 1 1 42 42 GLU HA H 1 4.264 . . 1 . . . . 42 E HA . 19993 1 271 . 1 1 42 42 GLU HB2 H 1 2.090 . . 1 . . . . 42 E HB2 . 19993 1 272 . 1 1 42 42 GLU C C 13 176.727 . . 1 . . . . 42 E C . 19993 1 273 . 1 1 42 42 GLU CA C 13 56.502 . . 1 . . . . 42 E CA . 19993 1 274 . 1 1 42 42 GLU CB C 13 29.172 . . 1 . . . . 42 E CB . 19993 1 275 . 1 1 42 42 GLU N N 15 121.203 . . 1 . . . . 42 E N . 19993 1 276 . 1 1 44 44 SER H H 1 8.383 . . 1 . . . . 44 S HN . 19993 1 277 . 1 1 44 44 SER HA H 1 4.445 . . 1 . . . . 44 S HA . 19993 1 278 . 1 1 44 44 SER HB2 H 1 3.966 . . 1 . . . . 44 S HB2 . 19993 1 279 . 1 1 44 44 SER HB3 H 1 4.063 . . 1 . . . . 44 S HB3 . 19993 1 280 . 1 1 44 44 SER C C 13 174.491 . . 1 . . . . 44 S C . 19993 1 281 . 1 1 44 44 SER CA C 13 58.025 . . 1 . . . . 44 S CA . 19993 1 282 . 1 1 44 44 SER CB C 13 64.033 . . 1 . . . . 44 S CB . 19993 1 283 . 1 1 44 44 SER N N 15 118.279 . . 1 . . . . 44 S N . 19993 1 284 . 1 1 47 47 GLN H H 1 8.644 . . 1 . . . . 47 Q HN . 19993 1 285 . 1 1 47 47 GLN HA H 1 4.326 . . 1 . . . . 47 Q HA . 19993 1 286 . 1 1 47 47 GLN HB3 H 1 2.051 . . 1 . . . . 47 Q HB3 . 19993 1 287 . 1 1 47 47 GLN C C 13 176.316 . . 1 . . . . 47 Q C . 19993 1 288 . 1 1 47 47 GLN CA C 13 56.746 . . 1 . . . . 47 Q CA . 19993 1 289 . 1 1 47 47 GLN CB C 13 30.227 . . 1 . . . . 47 Q CB . 19993 1 290 . 1 1 47 47 GLN N N 15 122.592 . . 1 . . . . 47 Q N . 19993 1 291 . 1 1 48 48 LEU H H 1 8.122 . . 1 . . . . 48 L HN . 19993 1 292 . 1 1 48 48 LEU HA H 1 4.231 . . 1 . . . . 48 L HA . 19993 1 293 . 1 1 48 48 LEU HB2 H 1 1.712 . . 1 . . . . 48 L HB2 . 19993 1 294 . 1 1 48 48 LEU HB3 H 1 1.606 . . 1 . . . . 48 L HB3 . 19993 1 295 . 1 1 48 48 LEU C C 13 177.105 . . 1 . . . . 48 L C . 19993 1 296 . 1 1 48 48 LEU CA C 13 55.736 . . 1 . . . . 48 L CA . 19993 1 297 . 1 1 48 48 LEU N N 15 122.984 . . 1 . . . . 48 L N . 19993 1 298 . 1 1 49 49 SER H H 1 8.205 . . 1 . . . . 49 S HN . 19993 1 299 . 1 1 49 49 SER HA H 1 4.411 . . 1 . . . . 49 S HA . 19993 1 300 . 1 1 49 49 SER HB3 H 1 3.909 . . 1 . . . . 49 S HB3 . 19993 1 301 . 1 1 49 49 SER C C 13 175.688 . . 1 . . . . 49 S C . 19993 1 302 . 1 1 49 49 SER CA C 13 61.265 . . 1 . . . . 49 S CA . 19993 1 303 . 1 1 49 49 SER CB C 13 63.932 . . 1 . . . . 49 S CB . 19993 1 304 . 1 1 49 49 SER N N 15 116.893 . . 1 . . . . 49 S N . 19993 1 305 . 1 1 50 50 GLN HA H 1 4.332 . . 1 . . . . 50 Q HA . 19993 1 306 . 1 1 50 50 GLN HB2 H 1 2.018 . . 1 . . . . 50 Q HB2 . 19993 1 307 . 1 1 50 50 GLN HB3 H 1 2.150 . . 1 . . . . 50 Q HB3 . 19993 1 308 . 1 1 51 51 ALA H H 1 8.169 . . 1 . . . . 51 A HN . 19993 1 309 . 1 1 51 51 ALA HA H 1 4.350 . . 1 . . . . 51 A HA . 19993 1 310 . 1 1 51 51 ALA HB1 H 1 1.425 . . 1 . . . . 51 A QB . 19993 1 311 . 1 1 51 51 ALA HB2 H 1 1.425 . . 1 . . . . 51 A QB . 19993 1 312 . 1 1 51 51 ALA HB3 H 1 1.425 . . 1 . . . . 51 A QB . 19993 1 313 . 1 1 51 51 ALA C C 13 178.434 . . 1 . . . . 51 A C . 19993 1 314 . 1 1 51 51 ALA CA C 13 53.196 . . 1 . . . . 51 A CA . 19993 1 315 . 1 1 51 51 ALA CB C 13 18.962 . . 1 . . . . 51 A CB . 19993 1 316 . 1 1 51 51 ALA N N 15 125.394 . . 1 . . . . 51 A N . 19993 1 317 . 1 1 52 52 THR H H 1 7.973 . . 1 . . . . 52 T HN . 19993 1 318 . 1 1 52 52 THR HA H 1 4.297 . . 1 . . . . 52 T HA . 19993 1 319 . 1 1 52 52 THR HB H 1 4.231 . . 1 . . . . 52 T HB . 19993 1 320 . 1 1 52 52 THR C C 13 174.641 . . 1 . . . . 52 T C . 19993 1 321 . 1 1 52 52 THR CA C 13 62.155 . . 1 . . . . 52 T CA . 19993 1 322 . 1 1 52 52 THR CB C 13 69.756 . . 1 . . . . 52 T CB . 19993 1 323 . 1 1 52 52 THR N N 15 113.871 . . 1 . . . . 52 T N . 19993 1 324 . 1 1 53 53 ALA H H 1 8.137 . . 1 . . . . 53 A HN . 19993 1 325 . 1 1 53 53 ALA HA H 1 4.291 . . 1 . . . . 53 A HA . 19993 1 326 . 1 1 53 53 ALA HB1 H 1 1.402 . . 1 . . . . 53 A QB . 19993 1 327 . 1 1 53 53 ALA HB2 H 1 1.402 . . 1 . . . . 53 A QB . 19993 1 328 . 1 1 53 53 ALA HB3 H 1 1.402 . . 1 . . . . 53 A QB . 19993 1 329 . 1 1 53 53 ALA CA C 13 52.713 . . 1 . . . . 53 A CA . 19993 1 330 . 1 1 53 53 ALA CB C 13 19.105 . . 1 . . . . 53 A CB . 19993 1 331 . 1 1 53 53 ALA N N 15 127.075 . . 1 . . . . 53 A N . 19993 1 332 . 1 1 54 54 ALA H H 1 8.100 . . 1 . . . . 54 A HN . 19993 1 333 . 1 1 54 54 ALA HA H 1 4.265 . . 1 . . . . 54 A HA . 19993 1 334 . 1 1 54 54 ALA HB1 H 1 1.404 . . 1 . . . . 54 A QB . 19993 1 335 . 1 1 54 54 ALA HB2 H 1 1.404 . . 1 . . . . 54 A QB . 19993 1 336 . 1 1 54 54 ALA HB3 H 1 1.404 . . 1 . . . . 54 A QB . 19993 1 337 . 1 1 54 54 ALA C C 13 177.668 . . 1 . . . . 54 A C . 19993 1 338 . 1 1 54 54 ALA N N 15 123.751 . . 1 . . . . 54 A N . 19993 1 339 . 1 1 55 55 ALA H H 1 8.157 . . 1 . . . . 55 A HN . 19993 1 340 . 1 1 55 55 ALA HA H 1 4.289 . . 1 . . . . 55 A HA . 19993 1 341 . 1 1 55 55 ALA HB1 H 1 1.397 . . 1 . . . . 55 A QB . 19993 1 342 . 1 1 55 55 ALA HB2 H 1 1.397 . . 1 . . . . 55 A QB . 19993 1 343 . 1 1 55 55 ALA HB3 H 1 1.397 . . 1 . . . . 55 A QB . 19993 1 344 . 1 1 55 55 ALA C C 13 177.390 . . 1 . . . . 55 A C . 19993 1 345 . 1 1 55 55 ALA CA C 13 52.580 . . 1 . . . . 55 A CA . 19993 1 346 . 1 1 55 55 ALA CB C 13 19.065 . . 1 . . . . 55 A CB . 19993 1 347 . 1 1 55 55 ALA N N 15 124.008 . . 1 . . . . 55 A N . 19993 1 348 . 1 1 56 56 THR H H 1 7.971 . . 1 . . . . 56 T HN . 19993 1 349 . 1 1 56 56 THR HA H 1 4.362 . . 1 . . . . 56 T HA . 19993 1 350 . 1 1 56 56 THR HB H 1 4.187 . . 1 . . . . 56 T HB . 19993 1 351 . 1 1 56 56 THR C C 13 178.043 . . 1 . . . . 56 T C . 19993 1 352 . 1 1 56 56 THR CA C 13 61.759 . . 1 . . . . 56 T CA . 19993 1 353 . 1 1 56 56 THR CB C 13 69.832 . . 1 . . . . 56 T CB . 19993 1 354 . 1 1 56 56 THR N N 15 113.412 . . 1 . . . . 56 T N . 19993 1 355 . 1 1 57 57 ASN H H 1 7.984 . . 1 . . . . 57 N HN . 19993 1 356 . 1 1 57 57 ASN HA H 1 4.492 . . 1 . . . . 57 N HA . 19993 1 357 . 1 1 57 57 ASN HB2 H 1 2.695 . . 1 . . . . 57 N HB2 . 19993 1 358 . 1 1 57 57 ASN HB3 H 1 2.760 . . 1 . . . . 57 N HB3 . 19993 1 359 . 1 1 57 57 ASN C C 13 179.361 . . 1 . . . . 57 N C . 19993 1 360 . 1 1 57 57 ASN CA C 13 54.815 . . 1 . . . . 57 N CA . 19993 1 361 . 1 1 57 57 ASN CB C 13 40.652 . . 1 . . . . 57 N CB . 19993 1 362 . 1 1 57 57 ASN N N 15 126.630 . . 1 . . . . 57 N N . 19993 1 363 . 1 1 58 58 HIS HA H 1 4.517 . . 1 . . . . 58 H HA . 19993 1 364 . 1 1 58 58 HIS HB2 H 1 3.862 . . 1 . . . . 58 H HB2 . 19993 1 365 . 1 1 58 58 HIS CA C 13 57.985 . . 1 . . . . 58 H CA . 19993 1 366 . 1 1 59 59 THR H H 1 8.268 . . 1 . . . . 59 T HN . 19993 1 367 . 1 1 59 59 THR HA H 1 4.417 . . 1 . . . . 59 T HA . 19993 1 368 . 1 1 59 59 THR HB H 1 4.095 . . 1 . . . . 59 T HB . 19993 1 369 . 1 1 59 59 THR N N 15 113.126 . . 1 . . . . 59 T N . 19993 1 370 . 1 1 60 60 THR H H 1 8.124 . . 1 . . . . 60 T HN . 19993 1 371 . 1 1 60 60 THR HA H 1 4.399 . . 1 . . . . 60 T HA . 19993 1 372 . 1 1 60 60 THR HB H 1 4.257 . . 1 . . . . 60 T HB . 19993 1 373 . 1 1 60 60 THR C C 13 174.290 . . 1 . . . . 60 T C . 19993 1 374 . 1 1 60 60 THR CA C 13 61.877 . . 1 . . . . 60 T CA . 19993 1 375 . 1 1 60 60 THR CB C 13 69.823 . . 1 . . . . 60 T CB . 19993 1 376 . 1 1 60 60 THR N N 15 116.395 . . 1 . . . . 60 T N . 19993 1 377 . 1 1 61 61 ASP H H 1 8.275 . . 1 . . . . 61 D HN . 19993 1 378 . 1 1 61 61 ASP HA H 1 4.632 . . 1 . . . . 61 D HA . 19993 1 379 . 1 1 61 61 ASP HB2 H 1 2.645 . . 1 . . . . 61 D HB2 . 19993 1 380 . 1 1 61 61 ASP HB3 H 1 2.721 . . 1 . . . . 61 D HB3 . 19993 1 381 . 1 1 61 61 ASP C C 13 176.009 . . 1 . . . . 61 D C . 19993 1 382 . 1 1 61 61 ASP CA C 13 54.415 . . 1 . . . . 61 D CA . 19993 1 383 . 1 1 61 61 ASP CB C 13 41.189 . . 1 . . . . 61 D CB . 19993 1 384 . 1 1 61 61 ASP N N 15 123.475 . . 1 . . . . 61 D N . 19993 1 385 . 1 1 62 62 ASN H H 1 8.349 . . 1 . . . . 62 N HN . 19993 1 386 . 1 1 62 62 ASN HA H 1 4.715 . . 1 . . . . 62 N HA . 19993 1 387 . 1 1 62 62 ASN HB2 H 1 2.803 . . 1 . . . . 62 N HB2 . 19993 1 388 . 1 1 62 62 ASN HB3 H 1 2.834 . . 1 . . . . 62 N HB3 . 19993 1 389 . 1 1 62 62 ASN C C 13 175.811 . . 1 . . . . 62 N C . 19993 1 390 . 1 1 62 62 ASN CA C 13 53.361 . . 1 . . . . 62 N CA . 19993 1 391 . 1 1 62 62 ASN CB C 13 38.722 . . 1 . . . . 62 N CB . 19993 1 392 . 1 1 62 62 ASN N N 15 120.127 . . 1 . . . . 62 N N . 19993 1 393 . 1 1 63 63 GLY H H 1 8.348 . . 1 . . . . 63 G HN . 19993 1 394 . 1 1 63 63 GLY HA2 H 1 4.012 . . 1 . . . . 63 G HA1 . 19993 1 395 . 1 1 63 63 GLY HA3 H 1 3.934 . . 1 . . . . 63 G HA2 . 19993 1 396 . 1 1 63 63 GLY CA C 13 45.361 . . 1 . . . . 63 G CA . 19993 1 397 . 1 1 63 63 GLY N N 15 109.924 . . 1 . . . . 63 G N . 19993 1 398 . 1 1 64 64 VAL H H 1 8.029 . . 1 . . . . 64 V HN . 19993 1 399 . 1 1 64 64 VAL HA H 1 4.218 . . 1 . . . . 64 V HA . 19993 1 400 . 1 1 64 64 VAL HB H 1 2.120 . . 1 . . . . 64 V HB . 19993 1 401 . 1 1 64 64 VAL C C 13 176.472 . . 1 . . . . 64 V C . 19993 1 402 . 1 1 64 64 VAL CA C 13 62.025 . . 1 . . . . 64 V CA . 19993 1 403 . 1 1 64 64 VAL CB C 13 32.939 . . 1 . . . . 64 V CB . 19993 1 404 . 1 1 64 64 VAL N N 15 119.408 . . 1 . . . . 64 V N . 19993 1 405 . 1 1 65 65 GLY H H 1 8.346 . . 1 . . . . 65 G HN . 19993 1 406 . 1 1 65 65 GLY HA2 H 1 4.010 . . 1 . . . . 65 G HA2 . 19993 1 407 . 1 1 65 65 GLY CA C 13 44.505 . . 1 . . . . 65 G CA . 19993 1 408 . 1 1 65 65 GLY N N 15 113.668 . . 1 . . . . 65 G N . 19993 1 409 . 1 1 66 66 PRO HA H 1 4.442 . . 1 . . . . 66 P HA . 19993 1 410 . 1 1 66 66 PRO HB3 H 1 2.281 . . 1 . . . . 66 P HB3 . 19993 1 411 . 1 1 67 67 GLU H H 1 8.530 . . 1 . . . . 67 E HN . 19993 1 412 . 1 1 67 67 GLU HA H 1 4.263 . . 1 . . . . 67 E HA . 19993 1 413 . 1 1 67 67 GLU HB2 H 1 2.055 . . 1 . . . . 67 E HB2 . 19993 1 414 . 1 1 67 67 GLU C C 13 176.620 . . 1 . . . . 67 E C . 19993 1 415 . 1 1 67 67 GLU CA C 13 56.748 . . 1 . . . . 67 E CA . 19993 1 416 . 1 1 67 67 GLU CB C 13 29.932 . . 1 . . . . 67 E CB . 19993 1 417 . 1 1 67 67 GLU N N 15 121.678 . . 1 . . . . 67 E N . 19993 1 418 . 1 1 68 68 GLU H H 1 8.253 . . 1 . . . . 68 E HN . 19993 1 419 . 1 1 68 68 GLU HA H 1 4.218 . . 1 . . . . 68 E HA . 19993 1 420 . 1 1 68 68 GLU HB2 H 1 2.042 . . 1 . . . . 68 E HB2 . 19993 1 421 . 1 1 68 68 GLU HB3 H 1 2.073 . . 1 . . . . 68 E HB3 . 19993 1 422 . 1 1 68 68 GLU C C 13 175.906 . . 1 . . . . 68 E C . 19993 1 423 . 1 1 68 68 GLU CA C 13 56.504 . . 1 . . . . 68 E CA . 19993 1 424 . 1 1 68 68 GLU N N 15 122.360 . . 1 . . . . 68 E N . 19993 1 425 . 1 1 69 69 GLU H H 1 8.171 . . 1 . . . . 69 E HN . 19993 1 426 . 1 1 69 69 GLU HA H 1 4.285 . . 1 . . . . 69 E HA . 19993 1 427 . 1 1 69 69 GLU HB2 H 1 1.851 . . 1 . . . . 69 E HB2 . 19993 1 428 . 1 1 69 69 GLU C C 13 176.732 . . 1 . . . . 69 E C . 19993 1 429 . 1 1 69 69 GLU CA C 13 56.524 . . 1 . . . . 69 E CA . 19993 1 430 . 1 1 69 69 GLU CB C 13 32.840 . . 1 . . . . 69 E CB . 19993 1 431 . 1 1 69 69 GLU N N 15 123.214 . . 1 . . . . 69 E N . 19993 1 432 . 1 1 70 70 SER H H 1 8.339 . . 1 . . . . 70 S HN . 19993 1 433 . 1 1 70 70 SER HA H 1 4.521 . . 1 . . . . 70 S HA . 19993 1 434 . 1 1 70 70 SER HB3 H 1 3.863 . . 1 . . . . 70 S HB3 . 19993 1 435 . 1 1 70 70 SER C C 13 174.485 . . 1 . . . . 70 S C . 19993 1 436 . 1 1 70 70 SER CA C 13 58.081 . . 1 . . . . 70 S CA . 19993 1 437 . 1 1 70 70 SER CB C 13 63.912 . . 1 . . . . 70 S CB . 19993 1 438 . 1 1 70 70 SER N N 15 118.567 . . 1 . . . . 70 S N . 19993 1 439 . 1 1 71 71 VAL H H 1 8.192 . . 1 . . . . 71 V HN . 19993 1 440 . 1 1 71 71 VAL HA H 1 4.239 . . 1 . . . . 71 V HA . 19993 1 441 . 1 1 71 71 VAL HB H 1 2.162 . . 1 . . . . 71 V HB . 19993 1 442 . 1 1 71 71 VAL C C 13 175.073 . . 1 . . . . 71 V C . 19993 1 443 . 1 1 71 71 VAL CA C 13 61.946 . . 1 . . . . 71 V CA . 19993 1 444 . 1 1 71 71 VAL CB C 13 32.965 . . 1 . . . . 71 V CB . 19993 1 445 . 1 1 71 71 VAL N N 15 122.380 . . 1 . . . . 71 V N . 19993 1 446 . 1 1 72 72 ASP H H 1 7.876 . . 1 . . . . 72 D HN . 19993 1 447 . 1 1 72 72 ASP HA H 1 4.392 . . 1 . . . . 72 D HA . 19993 1 448 . 1 1 72 72 ASP HB2 H 1 2.540 . . 1 . . . . 72 D HB2 . 19993 1 449 . 1 1 72 72 ASP HB3 H 1 2.666 . . 1 . . . . 72 D HB3 . 19993 1 450 . 1 1 72 72 ASP C C 13 180.853 . . 1 . . . . 72 D C . 19993 1 451 . 1 1 72 72 ASP CA C 13 55.886 . . 1 . . . . 72 D CA . 19993 1 452 . 1 1 72 72 ASP CB C 13 42.320 . . 1 . . . . 72 D CB . 19993 1 453 . 1 1 72 72 ASP N N 15 129.427 . . 1 . . . . 72 D N . 19993 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 19993 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.22282 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'amide 15N NOE' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 13 '2D 1H-15N HSQC-NOE' . . . 19993 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $CCPN . . 19993 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 -2.247 0.199 . . . . . . . . . . 19993 1 2 . 1 1 6 6 ALA N N 15 . 1 1 6 6 ALA H H 1 -1.993 0.181 . . . . . . . . . . 19993 1 3 . 1 1 9 9 VAL N N 15 . 1 1 9 9 VAL H H 1 -0.454 0.021 . . . . . . . . . . 19993 1 4 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 -0.759 0.046 . . . . . . . . . . 19993 1 5 . 1 1 11 11 VAL N N 15 . 1 1 11 11 VAL H H 1 -0.824 0.046 . . . . . . . . . . 19993 1 6 . 1 1 12 12 ASP N N 15 . 1 1 12 12 ASP H H 1 -0.616 0.061 . . . . . . . . . . 19993 1 7 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 -0.467 0.095 . . . . . . . . . . 19993 1 8 . 1 1 14 14 SER N N 15 . 1 1 14 14 SER H H 1 -0.384 0.068 . . . . . . . . . . 19993 1 9 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 -0.430 0.048 . . . . . . . . . . 19993 1 10 . 1 1 17 17 LYS N N 15 . 1 1 17 17 LYS H H 1 -0.270 0.054 . . . . . . . . . . 19993 1 11 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 -0.346 0.059 . . . . . . . . . . 19993 1 12 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.168 0.035 . . . . . . . . . . 19993 1 13 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.185 0.046 . . . . . . . . . . 19993 1 14 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.159 0.047 . . . . . . . . . . 19993 1 15 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.155 0.062 . . . . . . . . . . 19993 1 16 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 -0.203 0.043 . . . . . . . . . . 19993 1 17 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 -0.949 0.045 . . . . . . . . . . 19993 1 18 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 -0.085 0.031 . . . . . . . . . . 19993 1 19 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 -0.103 0.045 . . . . . . . . . . 19993 1 20 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 -0.728 0.030 . . . . . . . . . . 19993 1 21 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 -0.082 0.046 . . . . . . . . . . 19993 1 22 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 -0.420 0.195 . . . . . . . . . . 19993 1 23 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 -0.133 0.041 . . . . . . . . . . 19993 1 24 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 -0.428 0.177 . . . . . . . . . . 19993 1 25 . 1 1 49 49 SER N N 15 . 1 1 49 49 SER H H 1 -0.114 0.042 . . . . . . . . . . 19993 1 26 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 -0.218 0.035 . . . . . . . . . . 19993 1 27 . 1 1 52 52 THR N N 15 . 1 1 52 52 THR H H 1 -0.653 0.064 . . . . . . . . . . 19993 1 28 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 -0.657 0.091 . . . . . . . . . . 19993 1 29 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 -0.796 0.043 . . . . . . . . . . 19993 1 30 . 1 1 56 56 THR N N 15 . 1 1 56 56 THR H H 1 -0.994 0.091 . . . . . . . . . . 19993 1 31 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 -0.527 0.158 . . . . . . . . . . 19993 1 32 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 -0.884 0.114 . . . . . . . . . . 19993 1 33 . 1 1 61 61 ASP N N 15 . 1 1 61 61 ASP H H 1 -0.777 0.076 . . . . . . . . . . 19993 1 34 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 -1.139 0.163 . . . . . . . . . . 19993 1 35 . 1 1 63 63 GLY N N 15 . 1 1 63 63 GLY H H 1 -0.864 0.079 . . . . . . . . . . 19993 1 36 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 -0.741 0.041 . . . . . . . . . . 19993 1 37 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 -0.790 0.036 . . . . . . . . . . 19993 1 38 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 -0.775 0.034 . . . . . . . . . . 19993 1 39 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 -1.602 0.091 . . . . . . . . . . 19993 1 40 . 1 1 72 72 ASP N N 15 . 1 1 72 72 ASP H H 1 -1.705 0.030 . . . . . . . . . . 19993 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 19993 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600.22282 _Heteronucl_T1_list.T1_coherence_type NzHz _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 12 '2D 1H-15N HSQC-T1' . . . 19993 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 1 $CCPN . . 19993 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 ALA N N 15 0.495 0.093 . . . . . 19993 1 2 . 1 1 5 5 GLN N N 15 0.520 0.046 . . . . . 19993 1 3 . 1 1 6 6 ALA N N 15 0.541 0.031 . . . . . 19993 1 4 . 1 1 9 9 VAL N N 15 0.531 0.023 . . . . . 19993 1 5 . 1 1 10 10 LYS N N 15 0.478 0.034 . . . . . 19993 1 6 . 1 1 11 11 VAL N N 15 0.500 0.035 . . . . . 19993 1 7 . 1 1 12 12 ASP N N 15 0.452 0.043 . . . . . 19993 1 8 . 1 1 13 13 GLY N N 15 0.433 0.033 . . . . . 19993 1 9 . 1 1 14 14 SER N N 15 0.433 0.030 . . . . . 19993 1 10 . 1 1 15 15 GLU N N 15 0.489 0.037 . . . . . 19993 1 11 . 1 1 17 17 LYS N N 15 0.425 0.026 . . . . . 19993 1 12 . 1 1 19 19 SER N N 15 0.405 0.029 . . . . . 19993 1 13 . 1 1 24 24 LYS N N 15 0.393 0.031 . . . . . 19993 1 14 . 1 1 25 25 ARG N N 15 0.395 0.042 . . . . . 19993 1 15 . 1 1 28 28 LYS N N 15 0.359 0.031 . . . . . 19993 1 16 . 1 1 29 29 ALA N N 15 0.363 0.046 . . . . . 19993 1 17 . 1 1 30 30 GLU N N 15 0.448 0.044 . . . . . 19993 1 18 . 1 1 31 31 LYS N N 15 0.521 0.021 . . . . . 19993 1 19 . 1 1 33 33 VAL N N 15 0.430 0.019 . . . . . 19993 1 20 . 1 1 34 34 ALA N N 15 0.433 0.025 . . . . . 19993 1 21 . 1 1 35 35 GLU N N 15 0.476 0.035 . . . . . 19993 1 22 . 1 1 36 36 LYS N N 15 0.422 0.030 . . . . . 19993 1 23 . 1 1 41 41 LYS N N 15 0.445 0.011 . . . . . 19993 1 24 . 1 1 42 42 GLU N N 15 0.360 0.042 . . . . . 19993 1 25 . 1 1 45 45 GLU N N 15 0.700 0.021 . . . . . 19993 1 26 . 1 1 46 46 LYS N N 15 0.443 0.041 . . . . . 19993 1 27 . 1 1 47 47 GLN N N 15 0.482 0.093 . . . . . 19993 1 28 . 1 1 49 49 SER N N 15 0.435 0.038 . . . . . 19993 1 29 . 1 1 51 51 ALA N N 15 0.423 0.031 . . . . . 19993 1 30 . 1 1 52 52 THR N N 15 0.491 0.034 . . . . . 19993 1 31 . 1 1 53 53 ALA N N 15 0.434 0.045 . . . . . 19993 1 32 . 1 1 54 54 ALA N N 15 0.482 0.046 . . . . . 19993 1 33 . 1 1 56 56 THR N N 15 0.465 0.042 . . . . . 19993 1 34 . 1 1 59 59 THR N N 15 0.602 0.066 . . . . . 19993 1 35 . 1 1 60 60 THR N N 15 0.409 0.031 . . . . . 19993 1 36 . 1 1 61 61 ASP N N 15 0.444 0.042 . . . . . 19993 1 37 . 1 1 62 62 ASN N N 15 0.446 0.062 . . . . . 19993 1 38 . 1 1 63 63 GLY N N 15 0.479 0.039 . . . . . 19993 1 39 . 1 1 65 65 GLY N N 15 0.577 0.020 . . . . . 19993 1 40 . 1 1 67 67 GLU N N 15 0.571 0.027 . . . . . 19993 1 41 . 1 1 68 68 GLU N N 15 0.536 0.020 . . . . . 19993 1 42 . 1 1 70 70 SER N N 15 0.550 0.054 . . . . . 19993 1 43 . 1 1 72 72 ASP N N 15 0.979 0.004 . . . . . 19993 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 19993 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method no _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600.22282 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 11 '2D 1H-15N HSQC -T2' . . . 19993 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $CCPN . . 19993 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N N 15 0.451 0.058 . . . . . . . 19993 1 2 . 1 1 5 5 GLN N N 15 0.449 0.018 . . . . . . . 19993 1 3 . 1 1 6 6 ALA N N 15 0.402 0.005 . . . . . . . 19993 1 4 . 1 1 9 9 VAL N N 15 0.384 0.011 . . . . . . . 19993 1 5 . 1 1 10 10 LYS N N 15 0.393 0.017 . . . . . . . 19993 1 6 . 1 1 11 11 VAL N N 15 0.363 0.012 . . . . . . . 19993 1 7 . 1 1 12 12 ASP N N 15 0.348 0.009 . . . . . . . 19993 1 8 . 1 1 13 13 GLY N N 15 0.242 0.009 . . . . . . . 19993 1 9 . 1 1 14 14 SER N N 15 0.348 0.023 . . . . . . . 19993 1 10 . 1 1 15 15 GLU N N 15 0.342 0.010 . . . . . . . 19993 1 11 . 1 1 17 17 LYS N N 15 0.281 0.015 . . . . . . . 19993 1 12 . 1 1 19 19 SER N N 15 0.316 0.016 . . . . . . . 19993 1 13 . 1 1 24 24 LYS N N 15 0.204 0.005 . . . . . . . 19993 1 14 . 1 1 25 25 ARG N N 15 0.199 0.009 . . . . . . . 19993 1 15 . 1 1 28 28 LYS N N 15 0.206 0.004 . . . . . . . 19993 1 16 . 1 1 29 29 ALA N N 15 0.217 0.006 . . . . . . . 19993 1 17 . 1 1 30 30 GLU N N 15 0.225 0.006 . . . . . . . 19993 1 18 . 1 1 31 31 LYS N N 15 0.417 0.014 . . . . . . . 19993 1 19 . 1 1 33 33 VAL N N 15 0.220 0.009 . . . . . . . 19993 1 20 . 1 1 34 34 ALA N N 15 0.195 0.004 . . . . . . . 19993 1 21 . 1 1 35 35 GLU N N 15 0.314 0.005 . . . . . . . 19993 1 22 . 1 1 36 36 LYS N N 15 0.210 0.005 . . . . . . . 19993 1 23 . 1 1 41 41 LYS N N 15 0.456 0.021 . . . . . . . 19993 1 24 . 1 1 42 42 GLU N N 15 0.235 0.006 . . . . . . . 19993 1 25 . 1 1 45 45 GLU N N 15 0.398 0.045 . . . . . . . 19993 1 26 . 1 1 46 46 LYS N N 15 0.307 0.012 . . . . . . . 19993 1 27 . 1 1 47 47 GLN N N 15 0.447 0.068 . . . . . . . 19993 1 28 . 1 1 49 49 SER N N 15 0.260 0.009 . . . . . . . 19993 1 29 . 1 1 51 51 ALA N N 15 0.224 0.006 . . . . . . . 19993 1 30 . 1 1 52 52 THR N N 15 0.312 0.006 . . . . . . . 19993 1 31 . 1 1 53 53 ALA N N 15 0.356 0.014 . . . . . . . 19993 1 32 . 1 1 54 54 ALA N N 15 0.346 0.009 . . . . . . . 19993 1 33 . 1 1 56 56 THR N N 15 0.354 0.012 . . . . . . . 19993 1 34 . 1 1 59 59 THR N N 15 0.375 0.036 . . . . . . . 19993 1 35 . 1 1 60 60 THR N N 15 0.347 0.018 . . . . . . . 19993 1 36 . 1 1 61 61 ASP N N 15 0.315 0.011 . . . . . . . 19993 1 37 . 1 1 62 62 ASN N N 15 0.305 0.005 . . . . . . . 19993 1 38 . 1 1 63 63 GLY N N 15 0.248 0.004 . . . . . . . 19993 1 39 . 1 1 65 65 GLY N N 15 0.431 0.015 . . . . . . . 19993 1 40 . 1 1 67 67 GLU N N 15 0.394 0.008 . . . . . . . 19993 1 41 . 1 1 68 68 GLU N N 15 0.381 0.019 . . . . . . . 19993 1 42 . 1 1 70 70 SER N N 15 0.416 0.015 . . . . . . . 19993 1 43 . 1 1 72 72 ASP N N 15 0.644 0.034 . . . . . . . 19993 1 stop_ save_