data_27011 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27011 _Entry.Title ; Relaxation data for sigma1.1 from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-20 _Entry.Accession_date 2017-01-20 _Entry.Last_release_date 2017-01-20 _Entry.Original_release_date 2017-01-20 _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 . _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 Milan Zachrdla . . . . 27011 2 Petr Padrta . . . . 27011 3 Alzbeta Rabatinova . . . . 27011 4 Hana Sanderova . . . . 27011 5 Ivan Barvik . . . . 27011 6 Libor Krasny . . . . 27011 7 Lukas Zidek . . . . 27011 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 3 27011 heteronucl_T1_relaxation 3 27011 heteronucl_T2_relaxation 3 27011 order_parameters 1 27011 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 204 27011 'T2 relaxation values' 206 27011 'heteronuclear NOE values' 204 27011 'order parameters' 76 27011 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 2 . . 2017-06-30 2017-01-20 update BMRB 'update entry citation' 27011 1 . . 2017-06-30 2017-01-20 original author 'original release' 27011 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34089 'Assignment of Sigma1.1 domain of sigmaA' 27011 PDB 5MWW 'Structure of Sigma1.1 domain of sigmaA' 27011 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27011 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28539362 _Citation.Full_citation . _Citation.Title ; Solution Structure of Domain 1.1 of the sigma(A) Factor from Bacillus subtilis is Preformed for Binding to the RNA Polymerase Core ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 292 _Citation.Journal_issue 28 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 11610 _Citation.Page_last 11617 _Citation.Year 2017 _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 Milan Zachrdla . . . . 27011 1 2 Petr Padrta . . . . 27011 1 3 Alzbeta Rabatinova . . . . 27011 1 4 Hana Sanderova . . . . 27011 1 5 Ivan Barvik . . . . 27011 1 6 Libor Krasny . . . . 27011 1 7 Lukas Zidek . . . . 27011 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27011 _Assembly.ID 1 _Assembly.Name 'sigma1.1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 domain1.1 1 $sigma1-1 A . yes native no no . . . 27011 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 5MWW . . . . . . 27011 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sigma1-1 _Entity.Sf_category entity _Entity.Sf_framecode sigma1-1 _Entity.Entry_ID 27011 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sigma1.1 _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 ; ADKQTHETELTFDQVKEQLT ESGKKRGVLTYEEIAERMSS FEIESDQMDEYYEFLGEQGV ELISENEETEDLEHHHHHH ; _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 79 _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 . ALA . 27011 1 2 . ASP . 27011 1 3 . LYS . 27011 1 4 . GLN . 27011 1 5 . THR . 27011 1 6 . HIS . 27011 1 7 . GLU . 27011 1 8 . THR . 27011 1 9 . GLU . 27011 1 10 . LEU . 27011 1 11 . THR . 27011 1 12 . PHE . 27011 1 13 . ASP . 27011 1 14 . GLN . 27011 1 15 . VAL . 27011 1 16 . LYS . 27011 1 17 . GLU . 27011 1 18 . GLN . 27011 1 19 . LEU . 27011 1 20 . THR . 27011 1 21 . GLU . 27011 1 22 . SER . 27011 1 23 . GLY . 27011 1 24 . LYS . 27011 1 25 . LYS . 27011 1 26 . ARG . 27011 1 27 . GLY . 27011 1 28 . VAL . 27011 1 29 . LEU . 27011 1 30 . THR . 27011 1 31 . TYR . 27011 1 32 . GLU . 27011 1 33 . GLU . 27011 1 34 . ILE . 27011 1 35 . ALA . 27011 1 36 . GLU . 27011 1 37 . ARG . 27011 1 38 . MET . 27011 1 39 . SER . 27011 1 40 . SER . 27011 1 41 . PHE . 27011 1 42 . GLU . 27011 1 43 . ILE . 27011 1 44 . GLU . 27011 1 45 . SER . 27011 1 46 . ASP . 27011 1 47 . GLN . 27011 1 48 . MET . 27011 1 49 . ASP . 27011 1 50 . GLU . 27011 1 51 . TYR . 27011 1 52 . TYR . 27011 1 53 . GLU . 27011 1 54 . PHE . 27011 1 55 . LEU . 27011 1 56 . GLY . 27011 1 57 . GLU . 27011 1 58 . GLN . 27011 1 59 . GLY . 27011 1 60 . VAL . 27011 1 61 . GLU . 27011 1 62 . LEU . 27011 1 63 . ILE . 27011 1 64 . SER . 27011 1 65 . GLU . 27011 1 66 . ASN . 27011 1 67 . GLU . 27011 1 68 . GLU . 27011 1 69 . THR . 27011 1 70 . GLU . 27011 1 71 . ASP . 27011 1 72 . LEU . 27011 1 73 . GLU . 27011 1 74 . HIS . 27011 1 75 . HIS . 27011 1 76 . HIS . 27011 1 77 . HIS . 27011 1 78 . HIS . 27011 1 79 . HIS . 27011 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 . ALA 1 1 27011 1 . ASP 2 2 27011 1 . LYS 3 3 27011 1 . GLN 4 4 27011 1 . THR 5 5 27011 1 . HIS 6 6 27011 1 . GLU 7 7 27011 1 . THR 8 8 27011 1 . GLU 9 9 27011 1 . LEU 10 10 27011 1 . THR 11 11 27011 1 . PHE 12 12 27011 1 . ASP 13 13 27011 1 . GLN 14 14 27011 1 . VAL 15 15 27011 1 . LYS 16 16 27011 1 . GLU 17 17 27011 1 . GLN 18 18 27011 1 . LEU 19 19 27011 1 . THR 20 20 27011 1 . GLU 21 21 27011 1 . SER 22 22 27011 1 . GLY 23 23 27011 1 . LYS 24 24 27011 1 . LYS 25 25 27011 1 . ARG 26 26 27011 1 . GLY 27 27 27011 1 . VAL 28 28 27011 1 . LEU 29 29 27011 1 . THR 30 30 27011 1 . TYR 31 31 27011 1 . GLU 32 32 27011 1 . GLU 33 33 27011 1 . ILE 34 34 27011 1 . ALA 35 35 27011 1 . GLU 36 36 27011 1 . ARG 37 37 27011 1 . MET 38 38 27011 1 . SER 39 39 27011 1 . SER 40 40 27011 1 . PHE 41 41 27011 1 . GLU 42 42 27011 1 . ILE 43 43 27011 1 . GLU 44 44 27011 1 . SER 45 45 27011 1 . ASP 46 46 27011 1 . GLN 47 47 27011 1 . MET 48 48 27011 1 . ASP 49 49 27011 1 . GLU 50 50 27011 1 . TYR 51 51 27011 1 . TYR 52 52 27011 1 . GLU 53 53 27011 1 . PHE 54 54 27011 1 . LEU 55 55 27011 1 . GLY 56 56 27011 1 . GLU 57 57 27011 1 . GLN 58 58 27011 1 . GLY 59 59 27011 1 . VAL 60 60 27011 1 . GLU 61 61 27011 1 . LEU 62 62 27011 1 . ILE 63 63 27011 1 . SER 64 64 27011 1 . GLU 65 65 27011 1 . ASN 66 66 27011 1 . GLU 67 67 27011 1 . GLU 68 68 27011 1 . THR 69 69 27011 1 . GLU 70 70 27011 1 . ASP 71 71 27011 1 . LEU 72 72 27011 1 . GLU 73 73 27011 1 . HIS 74 74 27011 1 . HIS 75 75 27011 1 . HIS 76 76 27011 1 . HIS 77 77 27011 1 . HIS 78 78 27011 1 . HIS 79 79 27011 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 27011 _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 $sigma1-1 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . 27011 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 27011 _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 $sigma1-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28b . . . 27011 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27011 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labelled sample' _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 sigma1.1 '[U-100% 15N]' . . 1 $sigma1-1 . . 0.6 . . mM . . . . 27011 1 2 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 27011 1 3 'sodium azide' 'natural abundance' . . . . . . 6 . . mM . . . . 27011 1 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 27011 1 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 27011 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 27011 1 pH 6.6 . pH 27011 1 pressure 1 . atm 27011 1 temperature 298.2 . K 27011 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27011 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27011 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27011 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27011 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27011 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27011 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27011 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27011 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 27011 3 stop_ save_ save_Relax _Software.Sf_category software _Software.Sf_framecode Relax _Software.Entry_ID 27011 _Software.ID 4 _Software.Name Relax _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID d'Auvergne . . 27011 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27011 4 stop_ save_ save_Octave _Software.Sf_category software _Software.Sf_framecode Octave _Software.Entry_ID 27011 _Software.ID 5 _Software.Name Octave _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Eaton . . 27011 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27011 5 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 27011 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27011 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27011 _NMR_spectrometer.ID 3 _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 27011 _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 . 950 . . . 27011 1 2 spectrometer_2 Bruker Avance . 850 . . . 27011 1 3 spectrometer_3 Bruker Avance . 600 . . . 27011 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 27011 _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 R1 15N,1H correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27011 1 2 '2D R2 15N,1H correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27011 1 3 '2D NOE 15N,1H correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27011 1 4 '2D 15N1H correlation - transverse cross-correlated cross-relaxation (symmetrical reconversion)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27011 1 5 '2D 15N1H correlation - longitudinal cross-correlated cross-relaxation (symmetrical reconversion)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27011 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 27011 _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 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 15N,1H correlation' . . . 27011 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 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 -0.972 0.010 . . . . . . . . . . 27011 1 2 . 1 1 4 4 GLN N N 15 . 1 1 4 4 GLN H H 1 -0.656 0.014 . . . . . . . . . . 27011 1 3 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 -0.334 0.026 . . . . . . . . . . 27011 1 4 . 1 1 6 6 HIS N N 15 . 1 1 6 6 HIS H H 1 -0.236 0.101 . . . . . . . . . . 27011 1 5 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.103 0.070 . . . . . . . . . . 27011 1 6 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.689 0.029 . . . . . . . . . . 27011 1 7 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.720 0.025 . . . . . . . . . . 27011 1 8 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.719 0.024 . . . . . . . . . . 27011 1 9 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.784 0.025 . . . . . . . . . . 27011 1 10 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.702 0.020 . . . . . . . . . . 27011 1 11 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.739 0.028 . . . . . . . . . . 27011 1 12 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.731 0.021 . . . . . . . . . . 27011 1 13 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.717 0.023 . . . . . . . . . . 27011 1 14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.696 0.022 . . . . . . . . . . 27011 1 15 . 1 1 20 20 THR N N 15 . 1 1 20 20 THR H H 1 0.702 0.042 . . . . . . . . . . 27011 1 16 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.706 0.027 . . . . . . . . . . 27011 1 17 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.844 0.033 . . . . . . . . . . 27011 1 18 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.840 0.028 . . . . . . . . . . 27011 1 19 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.681 0.033 . . . . . . . . . . 27011 1 20 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.668 0.042 . . . . . . . . . . 27011 1 21 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.694 0.027 . . . . . . . . . . 27011 1 22 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.736 0.035 . . . . . . . . . . 27011 1 23 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.721 0.027 . . . . . . . . . . 27011 1 24 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.778 0.047 . . . . . . . . . . 27011 1 25 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.778 0.046 . . . . . . . . . . 27011 1 26 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.754 0.034 . . . . . . . . . . 27011 1 27 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.738 0.030 . . . . . . . . . . 27011 1 28 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.775 0.027 . . . . . . . . . . 27011 1 29 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.732 0.018 . . . . . . . . . . 27011 1 30 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.714 0.024 . . . . . . . . . . 27011 1 31 . 1 1 38 38 MET N N 15 . 1 1 38 38 MET H H 1 0.633 0.036 . . . . . . . . . . 27011 1 32 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.691 0.021 . . . . . . . . . . 27011 1 33 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.701 0.018 . . . . . . . . . . 27011 1 34 . 1 1 41 41 PHE N N 15 . 1 1 41 41 PHE H H 1 0.709 0.023 . . . . . . . . . . 27011 1 35 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.655 0.023 . . . . . . . . . . 27011 1 36 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.515 0.025 . . . . . . . . . . 27011 1 37 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.493 0.027 . . . . . . . . . . 27011 1 38 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.640 0.034 . . . . . . . . . . 27011 1 39 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.648 0.022 . . . . . . . . . . 27011 1 40 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.697 0.027 . . . . . . . . . . 27011 1 41 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.738 0.025 . . . . . . . . . . 27011 1 42 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.665 0.018 . . . . . . . . . . 27011 1 43 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.718 0.021 . . . . . . . . . . 27011 1 44 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.732 0.024 . . . . . . . . . . 27011 1 45 . 1 1 52 52 TYR N N 15 . 1 1 52 52 TYR H H 1 0.699 0.033 . . . . . . . . . . 27011 1 46 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.809 0.019 . . . . . . . . . . 27011 1 47 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.814 0.032 . . . . . . . . . . 27011 1 48 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.861 0.025 . . . . . . . . . . 27011 1 49 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.756 0.024 . . . . . . . . . . 27011 1 50 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.746 0.044 . . . . . . . . . . 27011 1 51 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.745 0.036 . . . . . . . . . . 27011 1 52 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.736 0.026 . . . . . . . . . . 27011 1 53 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.736 0.045 . . . . . . . . . . 27011 1 54 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.700 0.029 . . . . . . . . . . 27011 1 55 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.729 0.052 . . . . . . . . . . 27011 1 56 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.684 0.037 . . . . . . . . . . 27011 1 57 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.678 0.065 . . . . . . . . . . 27011 1 58 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.510 0.022 . . . . . . . . . . 27011 1 59 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.319 0.028 . . . . . . . . . . 27011 1 60 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.257 0.030 . . . . . . . . . . 27011 1 61 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.183 0.045 . . . . . . . . . . 27011 1 62 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.209 0.035 . . . . . . . . . . 27011 1 63 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.203 0.035 . . . . . . . . . . 27011 1 64 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.191 0.037 . . . . . . . . . . 27011 1 65 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.251 0.028 . . . . . . . . . . 27011 1 66 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.312 0.037 . . . . . . . . . . 27011 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 27011 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 850 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 15N,1H correlation' . . . 27011 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 -0.295 0.017 . . . . . . . . . . 27011 2 2 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 0.140 0.040 . . . . . . . . . . 27011 2 3 . 1 1 6 6 HIS N N 15 . 1 1 6 6 HIS H H 1 0.201 0.088 . . . . . . . . . . 27011 2 4 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.310 0.027 . . . . . . . . . . 27011 2 5 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.311 0.017 . . . . . . . . . . 27011 2 6 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.372 0.016 . . . . . . . . . . 27011 2 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.518 0.012 . . . . . . . . . . 27011 2 8 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.686 0.023 . . . . . . . . . . 27011 2 9 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.841 0.023 . . . . . . . . . . 27011 2 10 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.788 0.021 . . . . . . . . . . 27011 2 11 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.828 0.020 . . . . . . . . . . 27011 2 12 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.825 0.016 . . . . . . . . . . 27011 2 13 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.822 0.022 . . . . . . . . . . 27011 2 14 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.798 0.020 . . . . . . . . . . 27011 2 15 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.795 0.019 . . . . . . . . . . 27011 2 16 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.807 0.017 . . . . . . . . . . 27011 2 17 . 1 1 20 20 THR N N 15 . 1 1 20 20 THR H H 1 0.835 0.039 . . . . . . . . . . 27011 2 18 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.848 0.023 . . . . . . . . . . 27011 2 19 . 1 1 22 22 SER N N 15 . 1 1 22 22 SER H H 1 0.816 0.014 . . . . . . . . . . 27011 2 20 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.764 0.033 . . . . . . . . . . 27011 2 21 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.840 0.026 . . . . . . . . . . 27011 2 22 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.807 0.028 . . . . . . . . . . 27011 2 23 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.764 0.034 . . . . . . . . . . 27011 2 24 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.789 0.020 . . . . . . . . . . 27011 2 25 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.778 0.030 . . . . . . . . . . 27011 2 26 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.785 0.021 . . . . . . . . . . 27011 2 27 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.790 0.045 . . . . . . . . . . 27011 2 28 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.778 0.040 . . . . . . . . . . 27011 2 29 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.775 0.031 . . . . . . . . . . 27011 2 30 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.774 0.024 . . . . . . . . . . 27011 2 31 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.848 0.024 . . . . . . . . . . 27011 2 32 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.797 0.015 . . . . . . . . . . 27011 2 33 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.760 0.017 . . . . . . . . . . 27011 2 34 . 1 1 38 38 MET N N 15 . 1 1 38 38 MET H H 1 0.730 0.027 . . . . . . . . . . 27011 2 35 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.819 0.018 . . . . . . . . . . 27011 2 36 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.743 0.015 . . . . . . . . . . 27011 2 37 . 1 1 41 41 PHE N N 15 . 1 1 41 41 PHE H H 1 0.780 0.018 . . . . . . . . . . 27011 2 38 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.734 0.017 . . . . . . . . . . 27011 2 39 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.613 0.018 . . . . . . . . . . 27011 2 40 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.621 0.019 . . . . . . . . . . 27011 2 41 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.701 0.032 . . . . . . . . . . 27011 2 42 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.722 0.019 . . . . . . . . . . 27011 2 43 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.720 0.024 . . . . . . . . . . 27011 2 44 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.745 0.022 . . . . . . . . . . 27011 2 45 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.789 0.014 . . . . . . . . . . 27011 2 46 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.779 0.021 . . . . . . . . . . 27011 2 47 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.822 0.021 . . . . . . . . . . 27011 2 48 . 1 1 52 52 TYR N N 15 . 1 1 52 52 TYR H H 1 0.799 0.033 . . . . . . . . . . 27011 2 49 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.801 0.014 . . . . . . . . . . 27011 2 50 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.846 0.031 . . . . . . . . . . 27011 2 51 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.803 0.020 . . . . . . . . . . 27011 2 52 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.824 0.022 . . . . . . . . . . 27011 2 53 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.818 0.040 . . . . . . . . . . 27011 2 54 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.825 0.032 . . . . . . . . . . 27011 2 55 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.805 0.021 . . . . . . . . . . 27011 2 56 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.813 0.040 . . . . . . . . . . 27011 2 57 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.805 0.024 . . . . . . . . . . 27011 2 58 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.789 0.043 . . . . . . . . . . 27011 2 59 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.747 0.031 . . . . . . . . . . 27011 2 60 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.803 0.060 . . . . . . . . . . 27011 2 61 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.603 0.014 . . . . . . . . . . 27011 2 62 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.525 0.016 . . . . . . . . . . 27011 2 63 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.428 0.014 . . . . . . . . . . 27011 2 64 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.418 0.015 . . . . . . . . . . 27011 2 65 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.465 0.013 . . . . . . . . . . 27011 2 66 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.462 0.013 . . . . . . . . . . 27011 2 67 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.441 0.013 . . . . . . . . . . 27011 2 68 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.480 0.012 . . . . . . . . . . 27011 2 69 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.509 0.020 . . . . . . . . . . 27011 2 stop_ save_ save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 27011 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 950 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 15N,1H correlation' . . . 27011 3 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 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 -0.046 0.085 . . . . . . . . . . 27011 3 2 . 1 1 4 4 GLN N N 15 . 1 1 4 4 GLN H H 1 0.133 0.034 . . . . . . . . . . 27011 3 3 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 0.293 0.017 . . . . . . . . . . 27011 3 4 . 1 1 6 6 HIS N N 15 . 1 1 6 6 HIS H H 1 0.330 0.042 . . . . . . . . . . 27011 3 5 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.411 0.016 . . . . . . . . . . 27011 3 6 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.413 0.012 . . . . . . . . . . 27011 3 7 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.448 0.011 . . . . . . . . . . 27011 3 8 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.738 0.018 . . . . . . . . . . 27011 3 9 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.840 0.017 . . . . . . . . . . 27011 3 10 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.809 0.016 . . . . . . . . . . 27011 3 11 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.791 0.016 . . . . . . . . . . 27011 3 12 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.815 0.013 . . . . . . . . . . 27011 3 13 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.838 0.018 . . . . . . . . . . 27011 3 14 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.803 0.014 . . . . . . . . . . 27011 3 15 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.805 0.015 . . . . . . . . . . 27011 3 16 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.833 0.014 . . . . . . . . . . 27011 3 17 . 1 1 20 20 THR N N 15 . 1 1 20 20 THR H H 1 0.822 0.027 . . . . . . . . . . 27011 3 18 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.845 0.018 . . . . . . . . . . 27011 3 19 . 1 1 22 22 SER N N 15 . 1 1 22 22 SER H H 1 0.808 0.011 . . . . . . . . . . 27011 3 20 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.866 0.027 . . . . . . . . . . 27011 3 21 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.859 0.019 . . . . . . . . . . 27011 3 22 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.867 0.021 . . . . . . . . . . 27011 3 23 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.828 0.025 . . . . . . . . . . 27011 3 24 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.786 0.016 . . . . . . . . . . 27011 3 25 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.836 0.021 . . . . . . . . . . 27011 3 26 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.804 0.017 . . . . . . . . . . 27011 3 27 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.790 0.037 . . . . . . . . . . 27011 3 28 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.753 0.031 . . . . . . . . . . 27011 3 29 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.781 0.024 . . . . . . . . . . 27011 3 30 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.845 0.018 . . . . . . . . . . 27011 3 31 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.810 0.019 . . . . . . . . . . 27011 3 32 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.833 0.012 . . . . . . . . . . 27011 3 33 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.806 0.015 . . . . . . . . . . 27011 3 34 . 1 1 38 38 MET N N 15 . 1 1 38 38 MET H H 1 0.733 0.021 . . . . . . . . . . 27011 3 35 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.779 0.014 . . . . . . . . . . 27011 3 36 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.784 0.011 . . . . . . . . . . 27011 3 37 . 1 1 41 41 PHE N N 15 . 1 1 41 41 PHE H H 1 0.773 0.014 . . . . . . . . . . 27011 3 38 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.740 0.013 . . . . . . . . . . 27011 3 39 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.632 0.013 . . . . . . . . . . 27011 3 40 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.617 0.014 . . . . . . . . . . 27011 3 41 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.780 0.021 . . . . . . . . . . 27011 3 42 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.758 0.015 . . . . . . . . . . 27011 3 43 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.768 0.017 . . . . . . . . . . 27011 3 44 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.792 0.015 . . . . . . . . . . 27011 3 45 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.831 0.012 . . . . . . . . . . 27011 3 46 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.827 0.017 . . . . . . . . . . 27011 3 47 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.837 0.016 . . . . . . . . . . 27011 3 48 . 1 1 52 52 TYR N N 15 . 1 1 52 52 TYR H H 1 0.910 0.021 . . . . . . . . . . 27011 3 49 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.845 0.011 . . . . . . . . . . 27011 3 50 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.867 0.021 . . . . . . . . . . 27011 3 51 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.816 0.016 . . . . . . . . . . 27011 3 52 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.834 0.017 . . . . . . . . . . 27011 3 53 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.754 0.029 . . . . . . . . . . 27011 3 54 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.839 0.025 . . . . . . . . . . 27011 3 55 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.837 0.014 . . . . . . . . . . 27011 3 56 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.768 0.030 . . . . . . . . . . 27011 3 57 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.779 0.017 . . . . . . . . . . 27011 3 58 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.825 0.030 . . . . . . . . . . 27011 3 59 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.739 0.023 . . . . . . . . . . 27011 3 60 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.848 0.043 . . . . . . . . . . 27011 3 61 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.631 0.011 . . . . . . . . . . 27011 3 62 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.562 0.013 . . . . . . . . . . 27011 3 63 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.558 0.011 . . . . . . . . . . 27011 3 64 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.478 0.011 . . . . . . . . . . 27011 3 65 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.524 0.010 . . . . . . . . . . 27011 3 66 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.519 0.009 . . . . . . . . . . 27011 3 67 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.520 0.010 . . . . . . . . . . 27011 3 68 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.555 0.009 . . . . . . . . . . 27011 3 69 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.594 0.012 . . . . . . . . . . 27011 3 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 27011 _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 _Heteronucl_T1_list.T1_coherence_type Sz _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 1 '2D R1 15N,1H correlation' . . . 27011 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 3 3 LYS N N 15 0.830 0.074 . . . . . 27011 1 2 . 1 1 4 4 GLN N N 15 0.706 0.102 . . . . . 27011 1 3 . 1 1 5 5 THR N N 15 0.665 0.093 . . . . . 27011 1 4 . 1 1 6 6 HIS N N 15 0.755 0.059 . . . . . 27011 1 5 . 1 1 7 7 GLU N N 15 0.618 0.081 . . . . . 27011 1 6 . 1 1 8 8 THR N N 15 0.625 0.057 . . . . . 27011 1 7 . 1 1 9 9 GLU N N 15 0.622 0.036 . . . . . 27011 1 8 . 1 1 11 11 THR N N 15 0.627 0.022 . . . . . 27011 1 9 . 1 1 12 12 PHE N N 15 0.614 0.012 . . . . . 27011 1 10 . 1 1 13 13 ASP N N 15 0.637 0.015 . . . . . 27011 1 11 . 1 1 14 14 GLN N N 15 0.615 0.029 . . . . . 27011 1 12 . 1 1 15 15 VAL N N 15 0.617 0.016 . . . . . 27011 1 13 . 1 1 16 16 LYS N N 15 0.623 0.016 . . . . . 27011 1 14 . 1 1 17 17 GLU N N 15 0.638 0.016 . . . . . 27011 1 15 . 1 1 18 18 GLN N N 15 0.614 0.012 . . . . . 27011 1 16 . 1 1 19 19 LEU N N 15 0.618 0.007 . . . . . 27011 1 17 . 1 1 20 20 THR N N 15 0.649 0.044 . . . . . 27011 1 18 . 1 1 21 21 GLU N N 15 0.639 0.018 . . . . . 27011 1 19 . 1 1 23 23 GLY N N 15 0.613 0.032 . . . . . 27011 1 20 . 1 1 24 24 LYS N N 15 0.629 0.020 . . . . . 27011 1 21 . 1 1 25 25 LYS N N 15 0.629 0.009 . . . . . 27011 1 22 . 1 1 26 26 ARG N N 15 0.632 0.030 . . . . . 27011 1 23 . 1 1 27 27 GLY N N 15 0.670 0.036 . . . . . 27011 1 24 . 1 1 28 28 VAL N N 15 0.617 0.012 . . . . . 27011 1 25 . 1 1 29 29 LEU N N 15 0.651 0.017 . . . . . 27011 1 26 . 1 1 30 30 THR N N 15 0.675 0.019 . . . . . 27011 1 27 . 1 1 32 32 GLU N N 15 0.628 0.046 . . . . . 27011 1 28 . 1 1 33 33 GLU N N 15 0.619 0.022 . . . . . 27011 1 29 . 1 1 34 34 ILE N N 15 0.657 0.037 . . . . . 27011 1 30 . 1 1 35 35 ALA N N 15 0.646 0.010 . . . . . 27011 1 31 . 1 1 36 36 GLU N N 15 0.660 0.008 . . . . . 27011 1 32 . 1 1 37 37 ARG N N 15 0.673 0.022 . . . . . 27011 1 33 . 1 1 38 38 MET N N 15 0.719 0.048 . . . . . 27011 1 34 . 1 1 39 39 SER N N 15 0.605 0.019 . . . . . 27011 1 35 . 1 1 41 41 PHE N N 15 0.657 0.027 . . . . . 27011 1 36 . 1 1 42 42 GLU N N 15 0.672 0.021 . . . . . 27011 1 37 . 1 1 43 43 ILE N N 15 0.736 0.013 . . . . . 27011 1 38 . 1 1 44 44 GLU N N 15 0.690 0.013 . . . . . 27011 1 39 . 1 1 45 45 SER N N 15 0.561 0.040 . . . . . 27011 1 40 . 1 1 46 46 ASP N N 15 0.577 0.018 . . . . . 27011 1 41 . 1 1 47 47 GLN N N 15 0.608 0.030 . . . . . 27011 1 42 . 1 1 48 48 MET N N 15 0.577 0.012 . . . . . 27011 1 43 . 1 1 49 49 ASP N N 15 0.606 0.020 . . . . . 27011 1 44 . 1 1 50 50 GLU N N 15 0.612 0.014 . . . . . 27011 1 45 . 1 1 51 51 TYR N N 15 0.571 0.013 . . . . . 27011 1 46 . 1 1 52 52 TYR N N 15 0.585 0.054 . . . . . 27011 1 47 . 1 1 53 53 GLU N N 15 0.599 0.023 . . . . . 27011 1 48 . 1 1 55 55 LEU N N 15 0.583 0.019 . . . . . 27011 1 49 . 1 1 56 56 GLY N N 15 0.575 0.017 . . . . . 27011 1 50 . 1 1 57 57 GLU N N 15 0.611 0.030 . . . . . 27011 1 51 . 1 1 58 58 GLN N N 15 0.610 0.029 . . . . . 27011 1 52 . 1 1 59 59 GLY N N 15 0.599 0.051 . . . . . 27011 1 53 . 1 1 60 60 VAL N N 15 0.616 0.024 . . . . . 27011 1 54 . 1 1 61 61 GLU N N 15 0.604 0.032 . . . . . 27011 1 55 . 1 1 62 62 LEU N N 15 0.659 0.021 . . . . . 27011 1 56 . 1 1 63 63 ILE N N 15 0.690 0.045 . . . . . 27011 1 57 . 1 1 64 64 SER N N 15 0.694 0.019 . . . . . 27011 1 58 . 1 1 65 65 GLU N N 15 0.610 0.039 . . . . . 27011 1 59 . 1 1 66 66 ASN N N 15 0.610 0.025 . . . . . 27011 1 60 . 1 1 67 67 GLU N N 15 0.627 0.015 . . . . . 27011 1 61 . 1 1 68 68 GLU N N 15 0.613 0.021 . . . . . 27011 1 62 . 1 1 69 69 THR N N 15 0.614 0.011 . . . . . 27011 1 63 . 1 1 70 70 GLU N N 15 0.579 0.026 . . . . . 27011 1 64 . 1 1 71 71 ASP N N 15 0.579 0.035 . . . . . 27011 1 65 . 1 1 72 72 LEU N N 15 0.591 0.017 . . . . . 27011 1 66 . 1 1 73 73 GLU N N 15 0.561 0.021 . . . . . 27011 1 67 . 1 1 74 74 HIS N N 15 0.527 0.096 . . . . . 27011 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 27011 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 850 _Heteronucl_T1_list.T1_coherence_type Sz _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 1 '2D R1 15N,1H correlation' . . . 27011 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 3 3 LYS N N 15 0.832 0.081 . . . . . 27011 2 2 . 1 1 4 4 GLN N N 15 0.709 0.075 . . . . . 27011 2 3 . 1 1 5 5 THR N N 15 0.701 0.080 . . . . . 27011 2 4 . 1 1 6 6 HIS N N 15 0.715 0.042 . . . . . 27011 2 5 . 1 1 7 7 GLU N N 15 0.676 0.080 . . . . . 27011 2 6 . 1 1 8 8 THR N N 15 0.673 0.037 . . . . . 27011 2 7 . 1 1 9 9 GLU N N 15 0.695 0.041 . . . . . 27011 2 8 . 1 1 10 10 LEU N N 15 0.841 0.007 . . . . . 27011 2 9 . 1 1 11 11 THR N N 15 0.841 0.008 . . . . . 27011 2 10 . 1 1 12 12 PHE N N 15 0.849 0.006 . . . . . 27011 2 11 . 1 1 13 13 ASP N N 15 0.873 0.017 . . . . . 27011 2 12 . 1 1 14 14 GLN N N 15 0.824 0.013 . . . . . 27011 2 13 . 1 1 15 15 VAL N N 15 0.835 0.006 . . . . . 27011 2 14 . 1 1 16 16 LYS N N 15 0.853 0.013 . . . . . 27011 2 15 . 1 1 17 17 GLU N N 15 0.853 0.006 . . . . . 27011 2 16 . 1 1 18 18 GLN N N 15 0.804 0.007 . . . . . 27011 2 17 . 1 1 19 19 LEU N N 15 0.843 0.008 . . . . . 27011 2 18 . 1 1 20 20 THR N N 15 0.854 0.017 . . . . . 27011 2 19 . 1 1 21 21 GLU N N 15 0.833 0.012 . . . . . 27011 2 20 . 1 1 22 22 SER N N 15 0.831 0.011 . . . . . 27011 2 21 . 1 1 23 23 GLY N N 15 0.831 0.012 . . . . . 27011 2 22 . 1 1 24 24 LYS N N 15 0.854 0.016 . . . . . 27011 2 23 . 1 1 25 25 LYS N N 15 0.862 0.012 . . . . . 27011 2 24 . 1 1 26 26 ARG N N 15 0.870 0.020 . . . . . 27011 2 25 . 1 1 27 27 GLY N N 15 0.923 0.019 . . . . . 27011 2 26 . 1 1 28 28 VAL N N 15 0.800 0.007 . . . . . 27011 2 27 . 1 1 29 29 LEU N N 15 0.903 0.005 . . . . . 27011 2 28 . 1 1 30 30 THR N N 15 0.887 0.014 . . . . . 27011 2 29 . 1 1 32 32 GLU N N 15 0.838 0.029 . . . . . 27011 2 30 . 1 1 33 33 GLU N N 15 0.898 0.023 . . . . . 27011 2 31 . 1 1 34 34 ILE N N 15 0.929 0.012 . . . . . 27011 2 32 . 1 1 35 35 ALA N N 15 0.890 0.009 . . . . . 27011 2 33 . 1 1 36 36 GLU N N 15 0.878 0.004 . . . . . 27011 2 34 . 1 1 37 37 ARG N N 15 0.898 0.013 . . . . . 27011 2 35 . 1 1 38 38 MET N N 15 0.966 0.006 . . . . . 27011 2 36 . 1 1 39 39 SER N N 15 0.829 0.015 . . . . . 27011 2 37 . 1 1 40 40 SER N N 15 0.739 0.048 . . . . . 27011 2 38 . 1 1 41 41 PHE N N 15 0.867 0.014 . . . . . 27011 2 39 . 1 1 42 42 GLU N N 15 0.907 0.020 . . . . . 27011 2 40 . 1 1 43 43 ILE N N 15 0.963 0.003 . . . . . 27011 2 41 . 1 1 44 44 GLU N N 15 0.870 0.003 . . . . . 27011 2 42 . 1 1 45 45 SER N N 15 0.742 0.039 . . . . . 27011 2 43 . 1 1 46 46 ASP N N 15 0.708 0.012 . . . . . 27011 2 44 . 1 1 47 47 GLN N N 15 0.813 0.011 . . . . . 27011 2 45 . 1 1 48 48 MET N N 15 0.769 0.009 . . . . . 27011 2 46 . 1 1 49 49 ASP N N 15 0.814 0.006 . . . . . 27011 2 47 . 1 1 50 50 GLU N N 15 0.803 0.007 . . . . . 27011 2 48 . 1 1 51 51 TYR N N 15 0.772 0.011 . . . . . 27011 2 49 . 1 1 52 52 TYR N N 15 0.774 0.025 . . . . . 27011 2 50 . 1 1 53 53 GLU N N 15 0.797 0.005 . . . . . 27011 2 51 . 1 1 55 55 LEU N N 15 0.759 0.011 . . . . . 27011 2 52 . 1 1 56 56 GLY N N 15 0.813 0.009 . . . . . 27011 2 53 . 1 1 57 57 GLU N N 15 0.810 0.006 . . . . . 27011 2 54 . 1 1 58 58 GLN N N 15 0.884 0.024 . . . . . 27011 2 55 . 1 1 59 59 GLY N N 15 0.822 0.019 . . . . . 27011 2 56 . 1 1 60 60 VAL N N 15 0.843 0.020 . . . . . 27011 2 57 . 1 1 61 61 GLU N N 15 0.832 0.018 . . . . . 27011 2 58 . 1 1 62 62 LEU N N 15 0.876 0.007 . . . . . 27011 2 59 . 1 1 63 63 ILE N N 15 0.929 0.016 . . . . . 27011 2 60 . 1 1 64 64 SER N N 15 0.951 0.015 . . . . . 27011 2 61 . 1 1 65 65 GLU N N 15 0.830 0.023 . . . . . 27011 2 62 . 1 1 66 66 ASN N N 15 0.729 0.006 . . . . . 27011 2 63 . 1 1 67 67 GLU N N 15 0.723 0.009 . . . . . 27011 2 64 . 1 1 68 68 GLU N N 15 0.682 0.008 . . . . . 27011 2 65 . 1 1 69 69 THR N N 15 0.683 0.012 . . . . . 27011 2 66 . 1 1 70 70 GLU N N 15 0.637 0.027 . . . . . 27011 2 67 . 1 1 71 71 ASP N N 15 0.624 0.023 . . . . . 27011 2 68 . 1 1 72 72 LEU N N 15 0.644 0.009 . . . . . 27011 2 69 . 1 1 73 73 GLU N N 15 0.605 0.007 . . . . . 27011 2 70 . 1 1 74 74 HIS N N 15 0.582 0.077 . . . . . 27011 2 stop_ save_ save_heteronuclear_T1_list_3 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_3 _Heteronucl_T1_list.Entry_ID 27011 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 950 _Heteronucl_T1_list.T1_coherence_type Sz _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 1 '2D R1 15N,1H correlation' . . . 27011 3 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 3 3 LYS N N 15 0.752 0.073 . . . . . 27011 3 2 . 1 1 4 4 GLN N N 15 0.655 0.087 . . . . . 27011 3 3 . 1 1 5 5 THR N N 15 0.636 0.095 . . . . . 27011 3 4 . 1 1 6 6 HIS N N 15 0.666 0.103 . . . . . 27011 3 5 . 1 1 7 7 GLU N N 15 0.636 0.110 . . . . . 27011 3 6 . 1 1 8 8 THR N N 15 0.650 0.044 . . . . . 27011 3 7 . 1 1 9 9 GLU N N 15 0.681 0.029 . . . . . 27011 3 8 . 1 1 11 11 THR N N 15 0.917 0.009 . . . . . 27011 3 9 . 1 1 12 12 PHE N N 15 0.930 0.005 . . . . . 27011 3 10 . 1 1 13 13 ASP N N 15 0.936 0.011 . . . . . 27011 3 11 . 1 1 14 14 GLN N N 15 0.922 0.009 . . . . . 27011 3 12 . 1 1 15 15 VAL N N 15 0.899 0.015 . . . . . 27011 3 13 . 1 1 16 16 LYS N N 15 0.943 0.008 . . . . . 27011 3 14 . 1 1 17 17 GLU N N 15 0.945 0.008 . . . . . 27011 3 15 . 1 1 18 18 GLN N N 15 0.890 0.009 . . . . . 27011 3 16 . 1 1 19 19 LEU N N 15 0.909 0.003 . . . . . 27011 3 17 . 1 1 20 20 THR N N 15 0.934 0.020 . . . . . 27011 3 18 . 1 1 21 21 GLU N N 15 0.900 0.009 . . . . . 27011 3 19 . 1 1 23 23 GLY N N 15 0.926 0.010 . . . . . 27011 3 20 . 1 1 24 24 LYS N N 15 0.939 0.003 . . . . . 27011 3 21 . 1 1 25 25 LYS N N 15 0.948 0.004 . . . . . 27011 3 22 . 1 1 26 26 ARG N N 15 0.948 0.020 . . . . . 27011 3 23 . 1 1 27 27 GLY N N 15 1.011 0.011 . . . . . 27011 3 24 . 1 1 28 28 VAL N N 15 0.886 0.010 . . . . . 27011 3 25 . 1 1 29 29 LEU N N 15 0.994 0.004 . . . . . 27011 3 26 . 1 1 30 30 THR N N 15 0.998 0.020 . . . . . 27011 3 27 . 1 1 32 32 GLU N N 15 0.946 0.014 . . . . . 27011 3 28 . 1 1 33 33 GLU N N 15 0.948 0.013 . . . . . 27011 3 29 . 1 1 34 34 ILE N N 15 1.002 0.012 . . . . . 27011 3 30 . 1 1 35 35 ALA N N 15 0.983 0.014 . . . . . 27011 3 31 . 1 1 36 36 GLU N N 15 0.982 0.004 . . . . . 27011 3 32 . 1 1 37 37 ARG N N 15 1.007 0.008 . . . . . 27011 3 33 . 1 1 38 38 MET N N 15 1.043 0.007 . . . . . 27011 3 34 . 1 1 39 39 SER N N 15 0.887 0.009 . . . . . 27011 3 35 . 1 1 41 41 PHE N N 15 0.947 0.008 . . . . . 27011 3 36 . 1 1 42 42 GLU N N 15 0.957 0.019 . . . . . 27011 3 37 . 1 1 43 43 ILE N N 15 1.033 0.009 . . . . . 27011 3 38 . 1 1 44 44 GLU N N 15 0.934 0.009 . . . . . 27011 3 39 . 1 1 45 45 SER N N 15 0.802 0.067 . . . . . 27011 3 40 . 1 1 46 46 ASP N N 15 0.765 0.014 . . . . . 27011 3 41 . 1 1 47 47 GLN N N 15 0.898 0.012 . . . . . 27011 3 42 . 1 1 48 48 MET N N 15 0.833 0.008 . . . . . 27011 3 43 . 1 1 49 49 ASP N N 15 0.904 0.008 . . . . . 27011 3 44 . 1 1 50 50 GLU N N 15 0.906 0.005 . . . . . 27011 3 45 . 1 1 51 51 TYR N N 15 0.847 0.013 . . . . . 27011 3 46 . 1 1 52 52 TYR N N 15 0.866 0.010 . . . . . 27011 3 47 . 1 1 53 53 GLU N N 15 0.872 0.005 . . . . . 27011 3 48 . 1 1 55 55 LEU N N 15 0.833 0.015 . . . . . 27011 3 49 . 1 1 56 56 GLY N N 15 0.887 0.004 . . . . . 27011 3 50 . 1 1 57 57 GLU N N 15 0.872 0.006 . . . . . 27011 3 51 . 1 1 58 58 GLN N N 15 0.929 0.013 . . . . . 27011 3 52 . 1 1 59 59 GLY N N 15 0.909 0.022 . . . . . 27011 3 53 . 1 1 60 60 VAL N N 15 0.922 0.008 . . . . . 27011 3 54 . 1 1 61 61 GLU N N 15 0.912 0.019 . . . . . 27011 3 55 . 1 1 62 62 LEU N N 15 0.969 0.006 . . . . . 27011 3 56 . 1 1 63 63 ILE N N 15 1.017 0.030 . . . . . 27011 3 57 . 1 1 64 64 SER N N 15 1.005 0.009 . . . . . 27011 3 58 . 1 1 65 65 GLU N N 15 0.883 0.025 . . . . . 27011 3 59 . 1 1 66 66 ASN N N 15 0.766 0.007 . . . . . 27011 3 60 . 1 1 67 67 GLU N N 15 0.749 0.011 . . . . . 27011 3 61 . 1 1 68 68 GLU N N 15 0.695 0.010 . . . . . 27011 3 62 . 1 1 69 69 THR N N 15 0.690 0.011 . . . . . 27011 3 63 . 1 1 70 70 GLU N N 15 0.638 0.016 . . . . . 27011 3 64 . 1 1 71 71 ASP N N 15 0.620 0.019 . . . . . 27011 3 65 . 1 1 72 72 LEU N N 15 0.647 0.010 . . . . . 27011 3 66 . 1 1 73 73 GLU N N 15 0.613 0.008 . . . . . 27011 3 67 . 1 1 74 74 HIS N N 15 0.574 0.107 . . . . . 27011 3 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 27011 _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 methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _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 2 '2D R2 15N,1H correlation' . . . 27011 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 3 3 LYS N N 15 0.598 0.146 . . . . . . . 27011 1 2 . 1 1 4 4 GLN N N 15 0.500 0.033 . . . . . . . 27011 1 3 . 1 1 5 5 THR N N 15 0.400 0.087 . . . . . . . 27011 1 4 . 1 1 6 6 HIS N N 15 0.325 0.494 . . . . . . . 27011 1 5 . 1 1 7 7 GLU N N 15 0.281 0.170 . . . . . . . 27011 1 6 . 1 1 8 8 THR N N 15 0.309 0.075 . . . . . . . 27011 1 7 . 1 1 9 9 GLU N N 15 0.263 0.092 . . . . . . . 27011 1 8 . 1 1 11 11 THR N N 15 0.133 0.212 . . . . . . . 27011 1 9 . 1 1 12 12 PHE N N 15 0.115 0.134 . . . . . . . 27011 1 10 . 1 1 13 13 ASP N N 15 0.075 0.233 . . . . . . . 27011 1 11 . 1 1 14 14 GLN N N 15 0.118 0.217 . . . . . . . 27011 1 12 . 1 1 15 15 VAL N N 15 0.119 0.132 . . . . . . . 27011 1 13 . 1 1 16 16 LYS N N 15 0.077 0.180 . . . . . . . 27011 1 14 . 1 1 17 17 GLU N N 15 0.101 0.076 . . . . . . . 27011 1 15 . 1 1 18 18 GLN N N 15 0.114 0.108 . . . . . . . 27011 1 16 . 1 1 19 19 LEU N N 15 0.112 0.117 . . . . . . . 27011 1 17 . 1 1 20 20 THR N N 15 0.087 0.404 . . . . . . . 27011 1 18 . 1 1 21 21 GLU N N 15 0.089 0.250 . . . . . . . 27011 1 19 . 1 1 23 23 GLY N N 15 0.108 0.269 . . . . . . . 27011 1 20 . 1 1 24 24 LYS N N 15 0.103 0.257 . . . . . . . 27011 1 21 . 1 1 25 25 LYS N N 15 0.090 0.271 . . . . . . . 27011 1 22 . 1 1 26 26 ARG N N 15 0.064 0.342 . . . . . . . 27011 1 23 . 1 1 27 27 GLY N N 15 0.105 0.314 . . . . . . . 27011 1 24 . 1 1 28 28 VAL N N 15 0.104 0.213 . . . . . . . 27011 1 25 . 1 1 29 29 LEU N N 15 0.099 0.101 . . . . . . . 27011 1 26 . 1 1 30 30 THR N N 15 0.092 0.340 . . . . . . . 27011 1 27 . 1 1 32 32 GLU N N 15 0.098 0.249 . . . . . . . 27011 1 28 . 1 1 33 33 GLU N N 15 0.093 0.339 . . . . . . . 27011 1 29 . 1 1 34 34 ILE N N 15 0.098 0.264 . . . . . . . 27011 1 30 . 1 1 35 35 ALA N N 15 0.070 0.247 . . . . . . . 27011 1 31 . 1 1 36 36 GLU N N 15 0.106 0.076 . . . . . . . 27011 1 32 . 1 1 37 37 ARG N N 15 0.094 0.212 . . . . . . . 27011 1 33 . 1 1 38 38 MET N N 15 0.071 0.210 . . . . . . . 27011 1 34 . 1 1 39 39 SER N N 15 0.122 0.184 . . . . . . . 27011 1 35 . 1 1 41 41 PHE N N 15 0.107 0.234 . . . . . . . 27011 1 36 . 1 1 42 42 GLU N N 15 0.122 0.243 . . . . . . . 27011 1 37 . 1 1 43 43 ILE N N 15 0.140 0.064 . . . . . . . 27011 1 38 . 1 1 44 44 GLU N N 15 0.133 0.176 . . . . . . . 27011 1 39 . 1 1 45 45 SER N N 15 0.123 0.271 . . . . . . . 27011 1 40 . 1 1 46 46 ASP N N 15 0.115 0.208 . . . . . . . 27011 1 41 . 1 1 47 47 GLN N N 15 0.134 0.160 . . . . . . . 27011 1 42 . 1 1 48 48 MET N N 15 0.132 0.114 . . . . . . . 27011 1 43 . 1 1 49 49 ASP N N 15 0.117 0.209 . . . . . . . 27011 1 44 . 1 1 50 50 GLU N N 15 0.112 0.166 . . . . . . . 27011 1 45 . 1 1 51 51 TYR N N 15 0.110 0.165 . . . . . . . 27011 1 46 . 1 1 52 52 TYR N N 15 0.104 0.211 . . . . . . . 27011 1 47 . 1 1 53 53 GLU N N 15 0.111 0.197 . . . . . . . 27011 1 48 . 1 1 55 55 LEU N N 15 0.102 0.227 . . . . . . . 27011 1 49 . 1 1 56 56 GLY N N 15 0.108 0.238 . . . . . . . 27011 1 50 . 1 1 57 57 GLU N N 15 0.097 0.184 . . . . . . . 27011 1 51 . 1 1 58 58 GLN N N 15 0.081 0.466 . . . . . . . 27011 1 52 . 1 1 59 59 GLY N N 15 0.106 0.356 . . . . . . . 27011 1 53 . 1 1 60 60 VAL N N 15 0.098 0.202 . . . . . . . 27011 1 54 . 1 1 61 61 GLU N N 15 0.094 0.216 . . . . . . . 27011 1 55 . 1 1 62 62 LEU N N 15 0.132 0.110 . . . . . . . 27011 1 56 . 1 1 63 63 ILE N N 15 0.067 0.336 . . . . . . . 27011 1 57 . 1 1 64 64 SER N N 15 0.080 0.110 . . . . . . . 27011 1 58 . 1 1 65 65 GLU N N 15 0.092 0.195 . . . . . . . 27011 1 59 . 1 1 66 66 ASN N N 15 0.160 0.153 . . . . . . . 27011 1 60 . 1 1 67 67 GLU N N 15 0.207 0.160 . . . . . . . 27011 1 61 . 1 1 68 68 GLU N N 15 0.235 0.058 . . . . . . . 27011 1 62 . 1 1 69 69 THR N N 15 0.257 0.055 . . . . . . . 27011 1 63 . 1 1 70 70 GLU N N 15 0.266 0.060 . . . . . . . 27011 1 64 . 1 1 71 71 ASP N N 15 0.267 0.148 . . . . . . . 27011 1 65 . 1 1 72 72 LEU N N 15 0.268 0.091 . . . . . . . 27011 1 66 . 1 1 73 73 GLU N N 15 0.267 0.126 . . . . . . . 27011 1 67 . 1 1 74 74 HIS N N 15 0.203 0.171 . . . . . . . 27011 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 27011 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 850 _Heteronucl_T2_list.T2_coherence_type S(+,-) _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 2 '2D R2 15N,1H correlation' . . . 27011 2 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 3 3 LYS N N 15 0.375 0.770 . . . . . . . 27011 2 2 . 1 1 4 4 GLN N N 15 0.309 0.898 . . . . . . . 27011 2 3 . 1 1 5 5 THR N N 15 0.276 0.923 . . . . . . . 27011 2 4 . 1 1 6 6 HIS N N 15 0.230 0.439 . . . . . . . 27011 2 5 . 1 1 7 7 GLU N N 15 0.234 0.445 . . . . . . . 27011 2 6 . 1 1 8 8 THR N N 15 0.226 0.789 . . . . . . . 27011 2 7 . 1 1 9 9 GLU N N 15 0.234 0.147 . . . . . . . 27011 2 8 . 1 1 10 10 LEU N N 15 0.157 0.172 . . . . . . . 27011 2 9 . 1 1 11 11 THR N N 15 0.101 0.346 . . . . . . . 27011 2 10 . 1 1 12 12 PHE N N 15 0.092 0.525 . . . . . . . 27011 2 11 . 1 1 13 13 ASP N N 15 0.046 0.589 . . . . . . . 27011 2 12 . 1 1 14 14 GLN N N 15 0.089 0.392 . . . . . . . 27011 2 13 . 1 1 15 15 VAL N N 15 0.090 0.897 . . . . . . . 27011 2 14 . 1 1 16 16 LYS N N 15 0.049 0.705 . . . . . . . 27011 2 15 . 1 1 17 17 GLU N N 15 0.072 0.483 . . . . . . . 27011 2 16 . 1 1 18 18 GLN N N 15 0.086 0.384 . . . . . . . 27011 2 17 . 1 1 19 19 LEU N N 15 0.093 0.267 . . . . . . . 27011 2 18 . 1 1 20 20 THR N N 15 0.057 0.605 . . . . . . . 27011 2 19 . 1 1 21 21 GLU N N 15 0.063 0.411 . . . . . . . 27011 2 20 . 1 1 22 22 SER N N 15 0.090 1.281 . . . . . . . 27011 2 21 . 1 1 23 23 GLY N N 15 0.089 0.259 . . . . . . . 27011 2 22 . 1 1 24 24 LYS N N 15 0.078 0.694 . . . . . . . 27011 2 23 . 1 1 25 25 LYS N N 15 0.061 0.466 . . . . . . . 27011 2 24 . 1 1 26 26 ARG N N 15 0.037 1.351 . . . . . . . 27011 2 25 . 1 1 27 27 GLY N N 15 0.083 0.369 . . . . . . . 27011 2 26 . 1 1 28 28 VAL N N 15 0.070 0.373 . . . . . . . 27011 2 27 . 1 1 29 29 LEU N N 15 0.073 0.356 . . . . . . . 27011 2 28 . 1 1 30 30 THR N N 15 0.065 0.503 . . . . . . . 27011 2 29 . 1 1 32 32 GLU N N 15 0.076 0.466 . . . . . . . 27011 2 30 . 1 1 33 33 GLU N N 15 0.078 0.267 . . . . . . . 27011 2 31 . 1 1 34 34 ILE N N 15 0.075 0.577 . . . . . . . 27011 2 32 . 1 1 35 35 ALA N N 15 0.047 0.493 . . . . . . . 27011 2 33 . 1 1 36 36 GLU N N 15 0.080 0.348 . . . . . . . 27011 2 34 . 1 1 37 37 ARG N N 15 0.063 0.566 . . . . . . . 27011 2 35 . 1 1 38 38 MET N N 15 0.045 0.829 . . . . . . . 27011 2 36 . 1 1 39 39 SER N N 15 0.092 0.373 . . . . . . . 27011 2 37 . 1 1 40 40 SER N N 15 0.089 1.203 . . . . . . . 27011 2 38 . 1 1 41 41 PHE N N 15 0.076 0.471 . . . . . . . 27011 2 39 . 1 1 42 42 GLU N N 15 0.089 0.469 . . . . . . . 27011 2 40 . 1 1 43 43 ILE N N 15 0.105 0.298 . . . . . . . 27011 2 41 . 1 1 44 44 GLU N N 15 0.093 1.707 . . . . . . . 27011 2 42 . 1 1 45 45 SER N N 15 0.091 0.310 . . . . . . . 27011 2 43 . 1 1 46 46 ASP N N 15 0.078 0.404 . . . . . . . 27011 2 44 . 1 1 47 47 GLN N N 15 0.101 0.313 . . . . . . . 27011 2 45 . 1 1 48 48 MET N N 15 0.099 0.351 . . . . . . . 27011 2 46 . 1 1 49 49 ASP N N 15 0.082 0.423 . . . . . . . 27011 2 47 . 1 1 50 50 GLU N N 15 0.083 0.418 . . . . . . . 27011 2 48 . 1 1 51 51 TYR N N 15 0.086 0.328 . . . . . . . 27011 2 49 . 1 1 52 52 TYR N N 15 0.075 0.605 . . . . . . . 27011 2 50 . 1 1 53 53 GLU N N 15 0.083 0.136 . . . . . . . 27011 2 51 . 1 1 55 55 LEU N N 15 0.072 0.393 . . . . . . . 27011 2 52 . 1 1 56 56 GLY N N 15 0.068 0.552 . . . . . . . 27011 2 53 . 1 1 57 57 GLU N N 15 0.075 0.356 . . . . . . . 27011 2 54 . 1 1 58 58 GLN N N 15 0.048 1.739 . . . . . . . 27011 2 55 . 1 1 59 59 GLY N N 15 0.064 0.481 . . . . . . . 27011 2 56 . 1 1 60 60 VAL N N 15 0.065 1.041 . . . . . . . 27011 2 57 . 1 1 61 61 GLU N N 15 0.061 0.423 . . . . . . . 27011 2 58 . 1 1 62 62 LEU N N 15 0.112 0.054 . . . . . . . 27011 2 59 . 1 1 63 63 ILE N N 15 0.042 0.645 . . . . . . . 27011 2 60 . 1 1 64 64 SER N N 15 0.051 0.372 . . . . . . . 27011 2 61 . 1 1 65 65 GLU N N 15 0.064 0.459 . . . . . . . 27011 2 62 . 1 1 66 66 ASN N N 15 0.118 0.395 . . . . . . . 27011 2 63 . 1 1 67 67 GLU N N 15 0.150 0.433 . . . . . . . 27011 2 64 . 1 1 68 68 GLU N N 15 0.175 0.974 . . . . . . . 27011 2 65 . 1 1 69 69 THR N N 15 0.195 0.613 . . . . . . . 27011 2 66 . 1 1 70 70 GLU N N 15 0.228 0.110 . . . . . . . 27011 2 67 . 1 1 71 71 ASP N N 15 0.179 0.761 . . . . . . . 27011 2 68 . 1 1 72 72 LEU N N 15 0.209 0.337 . . . . . . . 27011 2 69 . 1 1 73 73 GLU N N 15 0.183 0.297 . . . . . . . 27011 2 70 . 1 1 74 74 HIS N N 15 0.136 0.336 . . . . . . . 27011 2 stop_ save_ save_heteronuclear_T2_list_3 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_3 _Heteronucl_T2_list.Entry_ID 27011 _Heteronucl_T2_list.ID 3 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 950 _Heteronucl_T2_list.T2_coherence_type S(+,-) _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 2 '2D R2 15N,1H correlation' . . . 27011 3 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 3 3 LYS N N 15 0.512 0.048 . . . . . . . 27011 3 2 . 1 1 4 4 GLN N N 15 0.404 0.036 . . . . . . . 27011 3 3 . 1 1 5 5 THR N N 15 0.349 0.083 . . . . . . . 27011 3 4 . 1 1 6 6 HIS N N 15 0.268 0.129 . . . . . . . 27011 3 5 . 1 1 7 7 GLU N N 15 0.242 0.073 . . . . . . . 27011 3 6 . 1 1 8 8 THR N N 15 0.251 0.112 . . . . . . . 27011 3 7 . 1 1 9 9 GLU N N 15 0.201 0.125 . . . . . . . 27011 3 8 . 1 1 11 11 THR N N 15 0.096 0.154 . . . . . . . 27011 3 9 . 1 1 12 12 PHE N N 15 0.084 0.164 . . . . . . . 27011 3 10 . 1 1 13 13 ASP N N 15 0.045 0.296 . . . . . . . 27011 3 11 . 1 1 14 14 GLN N N 15 0.087 0.052 . . . . . . . 27011 3 12 . 1 1 15 15 VAL N N 15 0.086 0.056 . . . . . . . 27011 3 13 . 1 1 16 16 LYS N N 15 0.046 0.371 . . . . . . . 27011 3 14 . 1 1 17 17 GLU N N 15 0.069 0.163 . . . . . . . 27011 3 15 . 1 1 18 18 GLN N N 15 0.083 0.148 . . . . . . . 27011 3 16 . 1 1 19 19 LEU N N 15 0.084 0.119 . . . . . . . 27011 3 17 . 1 1 20 20 THR N N 15 0.055 0.258 . . . . . . . 27011 3 18 . 1 1 21 21 GLU N N 15 0.060 0.199 . . . . . . . 27011 3 19 . 1 1 22 22 SER N N 15 0.085 0.100 . . . . . . . 27011 3 20 . 1 1 23 23 GLY N N 15 0.078 0.070 . . . . . . . 27011 3 21 . 1 1 24 24 LYS N N 15 0.075 0.160 . . . . . . . 27011 3 22 . 1 1 25 25 LYS N N 15 0.058 0.158 . . . . . . . 27011 3 23 . 1 1 26 26 ARG N N 15 0.038 0.522 . . . . . . . 27011 3 24 . 1 1 27 27 GLY N N 15 0.076 0.203 . . . . . . . 27011 3 25 . 1 1 28 28 VAL N N 15 0.071 0.087 . . . . . . . 27011 3 26 . 1 1 29 29 LEU N N 15 0.066 0.060 . . . . . . . 27011 3 27 . 1 1 30 30 THR N N 15 0.058 0.484 . . . . . . . 27011 3 28 . 1 1 32 32 GLU N N 15 0.072 0.123 . . . . . . . 27011 3 29 . 1 1 33 33 GLU N N 15 0.063 0.275 . . . . . . . 27011 3 30 . 1 1 34 34 ILE N N 15 0.073 0.147 . . . . . . . 27011 3 31 . 1 1 35 35 ALA N N 15 0.044 0.251 . . . . . . . 27011 3 32 . 1 1 36 36 GLU N N 15 0.077 0.067 . . . . . . . 27011 3 33 . 1 1 37 37 ARG N N 15 0.061 0.209 . . . . . . . 27011 3 34 . 1 1 38 38 MET N N 15 0.044 0.380 . . . . . . . 27011 3 35 . 1 1 39 39 SER N N 15 0.090 0.142 . . . . . . . 27011 3 36 . 1 1 40 40 SER N N 15 0.085 0.058 . . . . . . . 27011 3 37 . 1 1 41 41 PHE N N 15 0.075 0.124 . . . . . . . 27011 3 38 . 1 1 42 42 GLU N N 15 0.088 0.078 . . . . . . . 27011 3 39 . 1 1 43 43 ILE N N 15 0.097 0.036 . . . . . . . 27011 3 40 . 1 1 44 44 GLU N N 15 0.093 0.094 . . . . . . . 27011 3 41 . 1 1 45 45 SER N N 15 0.084 0.108 . . . . . . . 27011 3 42 . 1 1 46 46 ASP N N 15 0.076 0.150 . . . . . . . 27011 3 43 . 1 1 47 47 GLN N N 15 0.098 0.090 . . . . . . . 27011 3 44 . 1 1 48 48 MET N N 15 0.097 0.130 . . . . . . . 27011 3 45 . 1 1 49 49 ASP N N 15 0.080 0.140 . . . . . . . 27011 3 46 . 1 1 50 50 GLU N N 15 0.078 0.118 . . . . . . . 27011 3 47 . 1 1 51 51 TYR N N 15 0.078 0.052 . . . . . . . 27011 3 48 . 1 1 52 52 TYR N N 15 0.071 0.137 . . . . . . . 27011 3 49 . 1 1 53 53 GLU N N 15 0.079 0.169 . . . . . . . 27011 3 50 . 1 1 55 55 LEU N N 15 0.068 0.177 . . . . . . . 27011 3 51 . 1 1 56 56 GLY N N 15 0.074 0.385 . . . . . . . 27011 3 52 . 1 1 57 57 GLU N N 15 0.064 0.188 . . . . . . . 27011 3 53 . 1 1 58 58 GLN N N 15 0.049 0.228 . . . . . . . 27011 3 54 . 1 1 59 59 GLY N N 15 0.065 0.322 . . . . . . . 27011 3 55 . 1 1 60 60 VAL N N 15 0.063 0.077 . . . . . . . 27011 3 56 . 1 1 61 61 GLU N N 15 0.057 0.131 . . . . . . . 27011 3 57 . 1 1 62 62 LEU N N 15 0.101 0.113 . . . . . . . 27011 3 58 . 1 1 63 63 ILE N N 15 0.041 0.473 . . . . . . . 27011 3 59 . 1 1 64 64 SER N N 15 0.049 0.168 . . . . . . . 27011 3 60 . 1 1 65 65 GLU N N 15 0.054 0.542 . . . . . . . 27011 3 61 . 1 1 66 66 ASN N N 15 0.114 0.058 . . . . . . . 27011 3 62 . 1 1 67 67 GLU N N 15 0.154 0.087 . . . . . . . 27011 3 63 . 1 1 68 68 GLU N N 15 0.181 0.049 . . . . . . . 27011 3 64 . 1 1 69 69 THR N N 15 0.201 0.018 . . . . . . . 27011 3 65 . 1 1 70 70 GLU N N 15 0.211 0.086 . . . . . . . 27011 3 66 . 1 1 71 71 ASP N N 15 0.206 0.070 . . . . . . . 27011 3 67 . 1 1 72 72 LEU N N 15 0.208 0.069 . . . . . . . 27011 3 68 . 1 1 73 73 GLU N N 15 0.194 0.067 . . . . . . . 27011 3 69 . 1 1 74 74 HIS N N 15 0.147 0.034 . . . . . . . 27011 3 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 27011 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units ns _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units ns _Order_parameter_list.Rex_field_strength 850 _Order_parameter_list.Rex_val_units s-1 _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '2D R1 15N,1H correlation' . . . 27011 1 2 '2D R2 15N,1H correlation' . . . 27011 1 3 '2D NOE 15N,1H correlation' . . . 27011 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 1 1 ALA N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 2 . 1 1 2 2 ASP N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 3 . 1 1 3 3 LYS N N 15 0.037 0.033 0.000 0.000 . . 0.789 0.396 0.000 0.000 . . . . 0.064 0.062 . . . . . . . . . 27011 1 4 . 1 1 4 4 GLN N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 5 . 1 1 5 5 THR N N 15 0.122 0.045 0.000 0.000 . . 0.754 0.080 0.000 0.000 . . . . 0.156 0.075 . . . . . . . . . 27011 1 6 . 1 1 6 6 HIS N N 15 0.199 0.066 0.000 0.000 . . 0.709 0.217 0.000 0.000 . . . . 0.248 0.089 . . . . . . . . . 27011 1 7 . 1 1 7 7 GLU N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 8 . 1 1 8 8 THR N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 9 . 1 1 9 9 GLU N N 15 0.296 0.042 0.000 0.000 . . 0.766 0.065 0.000 0.000 . . . . 0.351 0.054 . . . . . . . . . 27011 1 10 . 1 1 10 10 LEU N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 11 . 1 1 11 11 THR N N 15 0.784 0.021 0.033 0.013 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 12 . 1 1 12 12 PHE N N 15 0.867 0.012 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 13 . 1 1 13 13 ASP N N 15 0.739 0.182 0.000 0.000 . . 1.231 1.474 4.407 1.065 . . . . 0.869 0.170 . . . . . . . . . 27011 1 14 . 1 1 14 14 GLN N N 15 0.681 0.032 0.000 0.000 . . 2.355 1.622 0.000 0.000 . . . . 0.819 0.035 . . . . . . . . . 27011 1 15 . 1 1 15 15 VAL N N 15 0.857 0.013 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 16 . 1 1 16 16 LYS N N 15 0.859 0.023 0.000 0.000 . . 0.000 0.000 4.018 0.548 . . . . 0.000 0.000 . . . . . . . . . 27011 1 17 . 1 1 17 17 GLU N N 15 0.722 0.100 0.000 0.000 . . 1.429 1.336 1.133 0.669 . . . . 0.855 0.075 . . . . . . . . . 27011 1 18 . 1 1 18 18 GLN N N 15 0.762 0.043 0.000 0.000 . . 1.223 1.131 0.000 0.000 . . . . 0.865 0.032 . . . . . . . . . 27011 1 19 . 1 1 19 19 LEU N N 15 0.720 0.115 0.000 0.000 . . 1.268 1.618 0.627 0.479 . . . . 0.875 0.109 . . . . . . . . . 27011 1 20 . 1 1 20 20 THR N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 1.186 0.460 . . . . 0.000 0.000 . . . . . . . . . 27011 1 21 . 1 1 21 21 GLU N N 15 0.911 0.026 1.201 1.234 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 22 . 1 1 22 22 SER N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 23 . 1 1 23 23 GLY N N 15 0.900 0.018 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 24 . 1 1 24 24 LYS N N 15 0.797 0.055 0.000 0.000 . . 2.049 1.769 0.000 0.000 . . . . 0.897 0.036 . . . . . . . . . 27011 1 25 . 1 1 25 25 LYS N N 15 0.734 0.207 0.000 0.000 . . 2.360 1.947 1.623 1.073 . . . . 0.843 0.190 . . . . . . . . . 27011 1 26 . 1 1 26 26 ARG N N 15 0.882 0.044 0.000 0.000 . . 0.000 0.000 5.724 0.920 . . . . 0.000 0.000 . . . . . . . . . 27011 1 27 . 1 1 27 27 GLY N N 15 0.863 0.032 0.031 0.038 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 28 . 1 1 28 28 VAL N N 15 0.656 0.178 0.000 0.000 . . 1.686 1.787 1.806 0.690 . . . . 0.822 0.184 . . . . . . . . . 27011 1 29 . 1 1 29 29 LEU N N 15 0.817 0.018 0.021 0.013 . . 0.000 0.000 1.438 0.153 . . . . 0.000 0.000 . . . . . . . . . 27011 1 30 . 1 1 30 30 THR N N 15 0.808 0.032 0.000 0.000 . . 0.000 0.000 2.355 0.721 . . . . 0.000 0.000 . . . . . . . . . 27011 1 31 . 1 1 31 31 TYR N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 32 . 1 1 32 32 GLU N N 15 0.928 0.031 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 33 . 1 1 33 33 GLU N N 15 0.879 0.037 0.771 0.654 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 34 . 1 1 34 34 ILE N N 15 0.893 0.026 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 35 . 1 1 35 35 ALA N N 15 0.859 0.021 0.000 0.000 . . 0.000 0.000 4.213 0.442 . . . . 0.000 0.000 . . . . . . . . . 27011 1 36 . 1 1 36 36 GLU N N 15 0.729 0.022 0.000 0.000 . . 1.753 0.899 0.000 0.000 . . . . 0.854 0.016 . . . . . . . . . 27011 1 37 . 1 1 37 37 ARG N N 15 0.916 0.025 0.655 0.458 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 38 . 1 1 38 38 MET N N 15 0.812 0.025 0.034 0.016 . . 0.000 0.000 4.590 0.635 . . . . 0.000 0.000 . . . . . . . . . 27011 1 39 . 1 1 39 39 SER N N 15 0.832 0.022 0.026 0.015 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 40 . 1 1 40 40 SER N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 41 . 1 1 41 41 PHE N N 15 0.813 0.043 0.000 0.000 . . 0.856 0.769 0.000 0.000 . . . . 0.894 0.028 . . . . . . . . . 27011 1 42 . 1 1 42 42 GLU N N 15 0.719 0.036 0.021 0.008 . . 0.000 0.000 0.872 0.240 . . . . 0.000 0.000 . . . . . . . . . 27011 1 43 . 1 1 43 43 ILE N N 15 0.624 0.012 0.028 0.005 . . 0.000 0.000 1.081 0.095 . . . . 0.000 0.000 . . . . . . . . . 27011 1 44 . 1 1 44 44 GLU N N 15 0.532 0.069 0.000 0.000 . . 0.659 0.221 1.593 0.328 . . . . 0.737 0.064 . . . . . . . . . 27011 1 45 . 1 1 45 45 SER N N 15 0.900 0.032 0.071 0.334 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 46 . 1 1 46 46 ASP N N 15 0.826 0.032 0.884 0.201 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 47 . 1 1 47 47 GLN N N 15 0.666 0.037 0.000 0.000 . . 1.175 0.999 0.000 0.000 . . . . 0.807 0.035 . . . . . . . . . 27011 1 48 . 1 1 48 48 MET N N 15 0.755 0.043 0.000 0.000 . . 0.934 0.999 0.000 0.000 . . . . 0.884 0.036 . . . . . . . . . 27011 1 49 . 1 1 49 49 ASP N N 15 0.720 0.142 0.000 0.000 . . 1.088 1.155 1.061 0.656 . . . . 0.881 0.126 . . . . . . . . . 27011 1 50 . 1 1 50 50 GLU N N 15 0.798 0.043 0.000 0.000 . . 1.214 1.259 0.000 0.000 . . . . 0.887 0.029 . . . . . . . . . 27011 1 51 . 1 1 51 51 TYR N N 15 0.928 0.015 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 52 . 1 1 52 52 TYR N N 15 0.924 0.034 0.000 0.000 . . 0.000 0.000 0.573 0.318 . . . . 0.000 0.000 . . . . . . . . . 27011 1 53 . 1 1 53 53 GLU N N 15 0.862 0.043 0.000 0.000 . . 1.232 1.310 0.000 0.000 . . . . 0.934 0.025 . . . . . . . . . 27011 1 54 . 1 1 54 54 PHE N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 55 . 1 1 55 55 LEU N N 15 0.920 0.027 0.000 0.000 . . 0.000 0.000 0.882 0.346 . . . . 0.000 0.000 . . . . . . . . . 27011 1 56 . 1 1 56 56 GLY N N 15 0.883 0.014 0.000 0.000 . . 0.000 0.000 0.876 0.584 . . . . 0.000 0.000 . . . . . . . . . 27011 1 57 . 1 1 57 57 GLU N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 58 . 1 1 58 58 GLN N N 15 0.853 0.038 0.000 0.000 . . 0.000 0.000 3.447 0.468 . . . . 0.000 0.000 . . . . . . . . . 27011 1 59 . 1 1 59 59 GLY N N 15 0.803 0.046 0.000 0.000 . . 0.000 0.000 2.357 0.573 . . . . 0.000 0.000 . . . . . . . . . 27011 1 60 . 1 1 60 60 VAL N N 15 0.806 0.025 0.000 0.000 . . 0.000 0.000 2.274 0.198 . . . . 0.000 0.000 . . . . . . . . . 27011 1 61 . 1 1 61 61 GLU N N 15 0.776 0.035 0.000 0.000 . . 0.000 0.000 3.225 0.308 . . . . 0.000 0.000 . . . . . . . . . 27011 1 62 . 1 1 62 62 LEU N N 15 0.660 0.027 0.000 0.000 . . 1.230 1.337 0.000 0.000 . . . . 0.851 0.026 . . . . . . . . . 27011 1 63 . 1 1 63 63 ILE N N 15 0.847 0.049 0.000 0.000 . . 0.000 0.000 5.186 0.813 . . . . 0.000 0.000 . . . . . . . . . 27011 1 64 . 1 1 64 64 SER N N 15 0.821 0.029 0.037 0.019 . . 0.000 0.000 3.281 0.348 . . . . 0.000 0.000 . . . . . . . . . 27011 1 65 . 1 1 65 65 GLU N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 66 . 1 1 66 66 ASN N N 15 0.678 0.026 0.000 0.000 . . 0.582 0.102 0.000 0.000 . . . . 0.769 0.025 . . . . . . . . . 27011 1 67 . 1 1 67 67 GLU N N 15 0.432 0.037 0.000 0.000 . . 0.843 0.103 0.000 0.000 . . . . 0.529 0.037 . . . . . . . . . 27011 1 68 . 1 1 68 68 GLU N N 15 0.297 0.017 0.000 0.000 . . 0.928 0.074 0.000 0.000 . . . . 0.362 0.020 . . . . . . . . . 27011 1 69 . 1 1 69 69 THR N N 15 0.208 0.019 0.000 0.000 . . 1.970 0.564 0.000 0.000 . . . . 0.330 0.023 . . . . . . . . . 27011 1 70 . 1 1 70 70 GLU N N 15 0.209 0.049 0.000 0.000 . . 1.674 0.922 0.000 0.000 . . . . 0.303 0.062 . . . . . . . . . 27011 1 71 . 1 1 71 71 ASP N N 15 0.273 0.034 0.000 0.000 . . 0.928 0.070 0.000 0.000 . . . . 0.317 0.039 . . . . . . . . . 27011 1 72 . 1 1 72 72 LEU N N 15 0.212 0.022 0.000 0.000 . . 0.952 0.065 0.000 0.000 . . . . 0.254 0.024 . . . . . . . . . 27011 1 73 . 1 1 73 73 GLU N N 15 0.283 0.028 0.000 0.000 . . 0.992 0.075 0.000 0.000 . . . . 0.324 0.029 . . . . . . . . . 27011 1 74 . 1 1 74 74 HIS N N 15 0.380 0.032 0.000 0.000 . . 0.994 0.143 0.000 0.000 . . . . 0.404 0.073 . . . . . . . . . 27011 1 75 . 1 1 75 75 HIS N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 76 . 1 1 76 76 HIS N N 15 0.000 0.000 0.000 0.000 . . 0.000 0.000 0.000 0.000 . . . . 0.000 0.000 . . . . . . . . . 27011 1 stop_ save_