data_18116 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18116 _Entry.Title ; backbone and sidechain order parameters for ubiquitin at 1, 400, 800, 1200, 1600 and 2500 bar ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-01 _Entry.Accession_date 2011-12-01 _Entry.Last_release_date 2011-12-01 _Entry.Original_release_date 2011-12-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yinan Fu . . . . 18116 2 Vignesh Kasinath . . . . 18116 3 Veronica Moorman . R. . . 18116 4 Nathaniel Nucci . V. . . 18116 5 Vincent Hilser . J. . . 18116 6 A Wand . J. . . 18116 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID order_parameters 12 18116 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'order parameters' 546 18116 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 . . 2019-08-29 . original BMRB . 18116 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18116 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22452540 _Citation.Full_citation . _Citation.Title ; Coupled motion in proteins revealed by pressure perturbation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 134 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-5126 _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 8543 _Citation.Page_last 8550 _Citation.Year 2012 _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 Yinan Fu Y. . . . 18116 1 2 Vignesh Kasinath V. . . . 18116 1 3 Veronica Moorman V. R. . . 18116 1 4 Nathaniel Nucci N. V. . . 18116 1 5 Vincent Hilser V. J. . . 18116 1 6 'A Joshua' Wand A. J. . . 18116 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18116 _Assembly.ID 1 _Assembly.Name 'ubiquitin monomer' _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 ubiquitin 1 $ubiquitin A . yes native no no . . . 18116 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ubiquitin _Entity.Sf_category entity _Entity.Sf_framecode ubiquitin _Entity.Entry_ID 18116 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ubiquitin _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 ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . 18116 1 2 . GLN . 18116 1 3 . ILE . 18116 1 4 . PHE . 18116 1 5 . VAL . 18116 1 6 . LYS . 18116 1 7 . THR . 18116 1 8 . LEU . 18116 1 9 . THR . 18116 1 10 . GLY . 18116 1 11 . LYS . 18116 1 12 . THR . 18116 1 13 . ILE . 18116 1 14 . THR . 18116 1 15 . LEU . 18116 1 16 . GLU . 18116 1 17 . VAL . 18116 1 18 . GLU . 18116 1 19 . PRO . 18116 1 20 . SER . 18116 1 21 . ASP . 18116 1 22 . THR . 18116 1 23 . ILE . 18116 1 24 . GLU . 18116 1 25 . ASN . 18116 1 26 . VAL . 18116 1 27 . LYS . 18116 1 28 . ALA . 18116 1 29 . LYS . 18116 1 30 . ILE . 18116 1 31 . GLN . 18116 1 32 . ASP . 18116 1 33 . LYS . 18116 1 34 . GLU . 18116 1 35 . GLY . 18116 1 36 . ILE . 18116 1 37 . PRO . 18116 1 38 . PRO . 18116 1 39 . ASP . 18116 1 40 . GLN . 18116 1 41 . GLN . 18116 1 42 . ARG . 18116 1 43 . LEU . 18116 1 44 . ILE . 18116 1 45 . PHE . 18116 1 46 . ALA . 18116 1 47 . GLY . 18116 1 48 . LYS . 18116 1 49 . GLN . 18116 1 50 . LEU . 18116 1 51 . GLU . 18116 1 52 . ASP . 18116 1 53 . GLY . 18116 1 54 . ARG . 18116 1 55 . THR . 18116 1 56 . LEU . 18116 1 57 . SER . 18116 1 58 . ASP . 18116 1 59 . TYR . 18116 1 60 . ASN . 18116 1 61 . ILE . 18116 1 62 . GLN . 18116 1 63 . LYS . 18116 1 64 . GLU . 18116 1 65 . SER . 18116 1 66 . THR . 18116 1 67 . LEU . 18116 1 68 . HIS . 18116 1 69 . LEU . 18116 1 70 . VAL . 18116 1 71 . LEU . 18116 1 72 . ARG . 18116 1 73 . LEU . 18116 1 74 . ARG . 18116 1 75 . GLY . 18116 1 76 . GLY . 18116 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 18116 1 . GLN 2 2 18116 1 . ILE 3 3 18116 1 . PHE 4 4 18116 1 . VAL 5 5 18116 1 . LYS 6 6 18116 1 . THR 7 7 18116 1 . LEU 8 8 18116 1 . THR 9 9 18116 1 . GLY 10 10 18116 1 . LYS 11 11 18116 1 . THR 12 12 18116 1 . ILE 13 13 18116 1 . THR 14 14 18116 1 . LEU 15 15 18116 1 . GLU 16 16 18116 1 . VAL 17 17 18116 1 . GLU 18 18 18116 1 . PRO 19 19 18116 1 . SER 20 20 18116 1 . ASP 21 21 18116 1 . THR 22 22 18116 1 . ILE 23 23 18116 1 . GLU 24 24 18116 1 . ASN 25 25 18116 1 . VAL 26 26 18116 1 . LYS 27 27 18116 1 . ALA 28 28 18116 1 . LYS 29 29 18116 1 . ILE 30 30 18116 1 . GLN 31 31 18116 1 . ASP 32 32 18116 1 . LYS 33 33 18116 1 . GLU 34 34 18116 1 . GLY 35 35 18116 1 . ILE 36 36 18116 1 . PRO 37 37 18116 1 . PRO 38 38 18116 1 . ASP 39 39 18116 1 . GLN 40 40 18116 1 . GLN 41 41 18116 1 . ARG 42 42 18116 1 . LEU 43 43 18116 1 . ILE 44 44 18116 1 . PHE 45 45 18116 1 . ALA 46 46 18116 1 . GLY 47 47 18116 1 . LYS 48 48 18116 1 . GLN 49 49 18116 1 . LEU 50 50 18116 1 . GLU 51 51 18116 1 . ASP 52 52 18116 1 . GLY 53 53 18116 1 . ARG 54 54 18116 1 . THR 55 55 18116 1 . LEU 56 56 18116 1 . SER 57 57 18116 1 . ASP 58 58 18116 1 . TYR 59 59 18116 1 . ASN 60 60 18116 1 . ILE 61 61 18116 1 . GLN 62 62 18116 1 . LYS 63 63 18116 1 . GLU 64 64 18116 1 . SER 65 65 18116 1 . THR 66 66 18116 1 . LEU 67 67 18116 1 . HIS 68 68 18116 1 . LEU 69 69 18116 1 . VAL 70 70 18116 1 . LEU 71 71 18116 1 . ARG 72 72 18116 1 . LEU 73 73 18116 1 . ARG 74 74 18116 1 . GLY 75 75 18116 1 . GLY 76 76 18116 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 18116 _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 $ubiquitin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18116 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 18116 _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 $ubiquitin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 18116 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18116 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample contained 1.2 mM 100%13C-55%2H labeled and 0.8 mM 100%15N labeled ubiquitin' _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 ubiquitin '[U-100% 13C; U-55% 2H]' . . 1 $ubiquitin . . 1.2 . . mM . . . . 18116 1 2 ubiquitin '[U-100% 15N]' . . 1 $ubiquitin . . 0.8 . . mM . . . . 18116 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18116 1 4 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 18116 1 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 18116 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18116 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18116 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 18116 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 18116 1 pH 5.0 . pH 18116 1 pressure 1 . bar 18116 1 temperature 273 . K 18116 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18116 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 100 . mM 18116 2 pH 5.0 . pH 18116 2 pressure 400 . bar 18116 2 temperature 273 . K 18116 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 18116 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _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' 100 . mM 18116 3 pH 5.0 . pH 18116 3 pressure 800 . bar 18116 3 temperature 273 . K 18116 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 18116 _Sample_condition_list.ID 4 _Sample_condition_list.Name . _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' 100 . mM 18116 4 pH 5.0 . pH 18116 4 pressure 1200 . bar 18116 4 temperature 273 . K 18116 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 18116 _Sample_condition_list.ID 5 _Sample_condition_list.Name . _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' 100 . mM 18116 5 pH 5.0 . pH 18116 5 pressure 1600 . bar 18116 5 temperature 273 . K 18116 5 stop_ save_ save_sample_conditions_6 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_6 _Sample_condition_list.Entry_ID 18116 _Sample_condition_list.ID 6 _Sample_condition_list.Name . _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' 100 . mM 18116 6 pH 5.0 . pH 18116 6 pressure 2500 . bar 18116 6 temperature 273 . K 18116 6 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 18116 _Software.ID 1 _Software.Type . _Software.Name FELIX _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 18116 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 18116 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 18116 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18116 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 18116 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . . . 18116 1 2 spectrometer_2 Bruker Avance . 750 . . . 18116 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 18116 _Experiment_list.ID 1 _Experiment_list.Details ; The order parameters of backbone and sidechains were determined using 15N T1,T2,NOE relaxation and 2H IzCzDz, IzCz and IzCzDy relaxation experiments at 1, 400, 800, 1200, 1600 and 2500 bar. ; 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 '15N relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18116 1 2 '2H relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18116 1 3 '15N relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18116 1 4 '2H relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18116 1 5 '15N relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . . . . . . . . . . . . . . . . . . . 18116 1 6 '2H relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . . . . . . . . . . . . . . . . . . . 18116 1 7 '15N relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . . . . . . . . . . . . . . . . . . . 18116 1 8 '2H relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . . . . . . . . . . . . . . . . . . . 18116 1 9 '15N relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . . . . . . . . . . . . . . . . . . . 18116 1 10 '2H relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . . . . . . . . . . . . . . . . . . . 18116 1 11 '15N relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 6 $sample_conditions_6 . . . . . . . . . . . . . . . . . . . . . 18116 1 12 '2H relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 6 $sample_conditions_6 . . . . . . . . . . . . . . . . . . . . . 18116 1 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 18116 _Order_parameter_list.ID 1 _Order_parameter_list.Name . _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 . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 '15N relaxation' . . . 18116 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 2 2 GLN N N 15 0.849 0.007 4.26E-11 1.10E-11 . . . . . . . . . . . . . . . . . . 2 Gln N 18116 1 2 . 1 1 3 3 ILE N N 15 0.901 0.006 6.76E-11 2.19E-11 . . . . . . . . . . . . . . . . . . 3 Ile N 18116 1 3 . 1 1 4 4 PHE N N 15 0.925 0.006 4.98E-10 4.16E-11 . . . . . . . . . . . . . . . . . . 4 Phe N 18116 1 4 . 1 1 5 5 VAL N N 15 0.838 0.005 7.60E-12 1.49E-11 . . . . . . . . . . . . . . . . . . 5 Val N 18116 1 5 . 1 1 6 6 LYS N N 15 0.786 0.011 2.60E-12 2.37E-11 . . . . . . . . . . . . . . . . . . 6 Lys N 18116 1 6 . 1 1 7 7 THR N N 15 0.865 0.004 1.01E-11 1.59E-12 . . . . . . . . . . . . . . . . . . 7 Thr N 18116 1 7 . 1 1 8 8 LEU N N 15 0.808 0.004 3.01E-11 3.95E-12 . . . . . . . . . . . . . . . . . . 8 Leu N 18116 1 8 . 1 1 9 9 THR N N 15 0.759 0.008 5.76E-11 3.51E-12 . . . . . . . . . . . . . . . . . . 9 Thr N 18116 1 9 . 1 1 10 10 GLY N N 15 0.750 0.006 4.26E-11 1.89E-12 . . . . . . . . . . . . . . . . . . 10 Gly N 18116 1 10 . 1 1 11 11 LYS N N 15 0.696 0.008 7.51E-11 3.35E-12 . . . . . . . . . . . . . . . . . . 11 Lys N 18116 1 11 . 1 1 12 12 THR N N 15 0.767 0.005 3.76E-11 1.20E-12 . . . . . . . . . . . . . . . . . . 12 Thr N 18116 1 12 . 1 1 13 13 ILE N N 15 0.849 0.006 3.26E-11 4.02E-12 . . . . . . . . . . . . . . . . . . 13 Ile N 18116 1 13 . 1 1 14 14 THR N N 15 0.838 0.005 2.26E-11 1.48E-12 . . . . . . . . . . . . . . . . . . 14 Thr N 18116 1 14 . 1 1 15 15 LEU N N 15 0.854 0.002 5.10E-12 3.04E-12 . . . . . . . . . . . . . . . . . . 15 Leu N 18116 1 15 . 1 1 17 17 VAL N N 15 0.895 0.004 4.26E-11 4.70E-12 . . . . . . . . . . . . . . . . . . 17 Val N 18116 1 16 . 1 1 18 18 GLU N N 15 0.860 0.001 3.76E-11 3.24E-12 . . . . . . . . . . . . . . . . . . 18 Glu N 18116 1 17 . 1 1 20 20 SER N N 15 0.860 0.002 4.01E-11 2.82E-12 . . . . . . . . . . . . . . . . . . 20 Ser N 18116 1 18 . 1 1 22 22 THR N N 15 0.865 0.004 4.01E-11 5.40E-12 . . . . . . . . . . . . . . . . . . 22 Thr N 18116 1 19 . 1 1 23 23 ILE N N 15 0.969 0.009 2.00E-10 1.48E-11 . . . . . . . . . . . . . . . . . . 23 Ile N 18116 1 20 . 1 1 26 26 VAL N N 15 0.901 0.004 2.26E-11 1.52E-11 . . . . . . . . . . . . . . . . . . 26 Val N 18116 1 21 . 1 1 27 27 LYS N N 15 0.909 0.005 8.51E-11 1.69E-11 . . . . . . . . . . . . . . . . . . 27 Lys N 18116 1 22 . 1 1 29 29 LYS N N 15 0.939 0.003 3.26E-11 3.57E-12 . . . . . . . . . . . . . . . . . . 29 Lys N 18116 1 23 . 1 1 30 30 ILE N N 15 0.901 0.004 2.76E-11 8.14E-12 . . . . . . . . . . . . . . . . . . 30 Ile N 18116 1 24 . 1 1 32 32 ASP N N 15 0.912 0.002 3.76E-11 2.85E-12 . . . . . . . . . . . . . . . . . . 32 Asp N 18116 1 25 . 1 1 33 33 LYS N N 15 0.928 0.005 1.00E-13 6.81E-12 . . . . . . . . . . . . . . . . . . 33 Lys N 18116 1 26 . 1 1 34 34 GLU N N 15 0.838 0.005 2.26E-11 1.23E-12 . . . . . . . . . . . . . . . . . . 34 Glu N 18116 1 27 . 1 1 35 35 GLY N N 15 0.887 0.004 2.26E-11 3.06E-12 . . . . . . . . . . . . . . . . . . 35 Gly N 18116 1 28 . 1 1 36 36 ILE N N 15 0.797 0.006 1.76E-11 2.02E-12 . . . . . . . . . . . . . . . . . . 36 Ile N 18116 1 29 . 1 1 39 39 ASP N N 15 0.871 0.002 1.51E-11 1.07E-12 . . . . . . . . . . . . . . . . . . 39 Asp N 18116 1 30 . 1 1 40 40 GLN N N 15 0.882 0.004 2.26E-11 2.01E-12 . . . . . . . . . . . . . . . . . . 40 Gln N 18116 1 31 . 1 1 41 41 GLN N N 15 0.882 0.002 3.26E-11 1.75E-12 . . . . . . . . . . . . . . . . . . 41 Gln N 18116 1 32 . 1 1 44 44 ILE N N 15 0.851 0.002 1.01E-11 1.34E-12 . . . . . . . . . . . . . . . . . . 44 Ile N 18116 1 33 . 1 1 46 46 ALA N N 15 0.857 0.003 1.76E-11 1.68E-12 . . . . . . . . . . . . . . . . . . 46 Ala N 18116 1 34 . 1 1 47 47 GLY N N 15 0.838 0.004 1.00E-13 3.26E-12 . . . . . . . . . . . . . . . . . . 47 Gly N 18116 1 35 . 1 1 49 49 GLN N N 15 0.764 0.006 6.01E-11 3.71E-12 . . . . . . . . . . . . . . . . . . 49 Gln N 18116 1 36 . 1 1 50 50 LEU N N 15 0.868 0.004 1.51E-11 3.72E-12 . . . . . . . . . . . . . . . . . . 50 Leu N 18116 1 37 . 1 1 52 52 ASP N N 15 0.810 0.007 1.01E-11 2.63E-12 . . . . . . . . . . . . . . . . . . 52 Asp N 18116 1 38 . 1 1 54 54 ARG N N 15 0.857 0.005 2.26E-11 1.28E-12 . . . . . . . . . . . . . . . . . . 54 Arg N 18116 1 39 . 1 1 55 55 THR N N 15 0.884 0.005 2.76E-11 2.47E-12 . . . . . . . . . . . . . . . . . . 55 Thr N 18116 1 40 . 1 1 56 56 LEU N N 15 0.928 0.005 1.00E-13 2.46E-12 . . . . . . . . . . . . . . . . . . 56 Leu N 18116 1 41 . 1 1 57 57 SER N N 15 0.898 0.002 1.00E-13 2.07E-12 . . . . . . . . . . . . . . . . . . 57 Ser N 18116 1 42 . 1 1 58 58 ASP N N 15 0.925 0.004 1.00E-13 1.96E-12 . . . . . . . . . . . . . . . . . . 58 Asp N 18116 1 43 . 1 1 59 59 TYR N N 15 0.849 0.004 3.26E-11 2.31E-12 . . . . . . . . . . . . . . . . . . 59 Tyr N 18116 1 44 . 1 1 60 60 ASN N N 15 0.884 0.003 5.10E-12 5.28E-12 . . . . . . . . . . . . . . . . . . 60 Asn N 18116 1 45 . 1 1 62 62 GLN N N 15 0.731 0.010 5.26E-11 2.44E-12 . . . . . . . . . . . . . . . . . . 62 Gln N 18116 1 46 . 1 1 63 63 LYS N N 15 0.827 0.006 4.01E-11 3.14E-12 . . . . . . . . . . . . . . . . . . 63 Lys N 18116 1 47 . 1 1 64 64 GLU N N 15 0.892 0.011 2.26E-11 3.35E-12 . . . . . . . . . . . . . . . . . . 64 Glu N 18116 1 48 . 1 1 65 65 SER N N 15 0.871 0.003 2.01E-11 2.59E-12 . . . . . . . . . . . . . . . . . . 65 Ser N 18116 1 49 . 1 1 66 66 THR N N 15 0.857 0.003 1.00E-13 2.98E-12 . . . . . . . . . . . . . . . . . . 66 Thr N 18116 1 50 . 1 1 67 67 LEU N N 15 0.868 0.002 2.01E-11 1.43E-12 . . . . . . . . . . . . . . . . . . 67 Leu N 18116 1 51 . 1 1 68 68 HIS N N 15 0.873 0.002 1.51E-11 1.68E-12 . . . . . . . . . . . . . . . . . . 68 His N 18116 1 52 . 1 1 70 70 VAL N N 15 0.906 0.004 3.26E-11 5.16E-12 . . . . . . . . . . . . . . . . . . 70 Val N 18116 1 stop_ save_ save_order_parameter_list_2 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_2 _Order_parameter_list.Entry_ID 18116 _Order_parameter_list.ID 2 _Order_parameter_list.Name . _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 . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 2 '2H relaxation' . . . 18116 2 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 3 3 ILE CG2 C 13 0.818 0.006 3.51E-11 2.26E-12 . . . . . . . . . . . . . . . . . . 3 ILE CG2 18116 2 2 . 1 1 3 3 ILE CD1 C 13 0.651 0.014 1.01E-11 8.11E-13 . . . . . . . . . . . . . . . . . . 3 ILE CD1 18116 2 3 . 1 1 5 5 VAL CG1 C 13 0.754 0.024 3.26E-11 4.67E-13 . . . . . . . . . . . . . . . . . . 5 VAL CG1 18116 2 4 . 1 1 5 5 VAL CG2 C 13 0.736 0.010 2.01E-11 2.11E-12 . . . . . . . . . . . . . . . . . . 5 VAL CG2 18116 2 5 . 1 1 7 7 THR CG2 C 13 0.734 0.005 3.76E-11 4.11E-13 . . . . . . . . . . . . . . . . . . 7 THR CG2 18116 2 6 . 1 1 8 8 LEU CD1 C 13 0.209 0.002 4.01E-11 1.27E-12 . . . . . . . . . . . . . . . . . . 8 LEU CD1 18116 2 7 . 1 1 9 9 THR CG2 C 13 0.586 0.035 3.01E-11 1.99E-13 . . . . . . . . . . . . . . . . . . 9 THR CG2 18116 2 8 . 1 1 13 13 ILE CG2 C 13 0.514 0.020 3.51E-11 8.18E-13 . . . . . . . . . . . . . . . . . . 13 ILE CG2 18116 2 9 . 1 1 13 13 ILE CD1 C 13 0.475 0.012 2.01E-11 1.19E-12 . . . . . . . . . . . . . . . . . . 13 ILE CD1 18116 2 10 . 1 1 14 14 THR CG2 C 13 0.614 0.013 4.51E-11 7.58E-13 . . . . . . . . . . . . . . . . . . 14 THR CG2 18116 2 11 . 1 1 15 15 LEU CD1 C 13 0.457 0.002 3.51E-11 1.23E-12 . . . . . . . . . . . . . . . . . . 15 LEU CD1 18116 2 12 . 1 1 15 15 LEU CD2 C 13 0.449 0.018 2.76E-11 1.58E-12 . . . . . . . . . . . . . . . . . . 15 LEU CD2 18116 2 13 . 1 1 17 17 VAL CG1 C 13 0.764 0.003 3.76E-11 4.36E-13 . . . . . . . . . . . . . . . . . . 17 VAL CG1 18116 2 14 . 1 1 17 17 VAL CG2 C 13 0.750 0.003 6.26E-11 3.34E-12 . . . . . . . . . . . . . . . . . . 17 VAL CG2 18116 2 15 . 1 1 22 22 THR CG2 C 13 0.802 0.022 3.01E-11 4.34E-13 . . . . . . . . . . . . . . . . . . 22 THR CG2 18116 2 16 . 1 1 23 23 ILE CG2 C 13 0.748 0.033 2.51E-11 3.06E-12 . . . . . . . . . . . . . . . . . . 23 ILE CG2 18116 2 17 . 1 1 23 23 ILE CD1 C 13 0.455 0.016 2.51E-11 1.24E-12 . . . . . . . . . . . . . . . . . . 23 ILE CD1 18116 2 18 . 1 1 26 26 VAL CG1 C 13 0.756 0.007 3.51E-11 4.39E-13 . . . . . . . . . . . . . . . . . . 26 VAL CG1 18116 2 19 . 1 1 30 30 ILE CG2 C 13 0.830 0.010 2.51E-11 3.13E-12 . . . . . . . . . . . . . . . . . . 30 ILE CG2 18116 2 20 . 1 1 30 30 ILE CD1 C 13 0.685 0.004 1.26E-11 7.76E-13 . . . . . . . . . . . . . . . . . . 30 ILE CD1 18116 2 21 . 1 1 36 36 ILE CG2 C 13 0.740 0.002 6.26E-11 1.96E-12 . . . . . . . . . . . . . . . . . . 36 ILE CG2 18116 2 22 . 1 1 36 36 ILE CD1 C 13 0.477 0.003 2.01E-11 1.01E-13 . . . . . . . . . . . . . . . . . . 36 ILE CD1 18116 2 23 . 1 1 43 43 LEU CD1 C 13 0.568 0.009 4.76E-11 1.02E-12 . . . . . . . . . . . . . . . . . . 43 LEU CD1 18116 2 24 . 1 1 43 43 LEU CD2 C 13 0.449 0.027 3.01E-11 6.73E-13 . . . . . . . . . . . . . . . . . . 43 LEU CD2 18116 2 25 . 1 1 44 44 ILE CG2 C 13 0.629 0.005 3.51E-11 1.40E-12 . . . . . . . . . . . . . . . . . . 44 ILE CG2 18116 2 26 . 1 1 44 44 ILE CD1 C 13 0.195 0.048 2.26E-11 4.24E-13 . . . . . . . . . . . . . . . . . . 44 ILE CD1 18116 2 27 . 1 1 46 46 ALA CB C 13 0.780 0.005 1.76E-11 7.58E-13 . . . . . . . . . . . . . . . . . . 46 ALA CB 18116 2 28 . 1 1 50 50 LEU CD1 C 13 0.693 0.013 2.76E-11 2.01E-12 . . . . . . . . . . . . . . . . . . 50 LEU CD1 18116 2 29 . 1 1 50 50 LEU CD2 C 13 0.671 0.007 1.76E-11 1.17E-12 . . . . . . . . . . . . . . . . . . 50 LEU CD2 18116 2 30 . 1 1 56 56 LEU CD1 C 13 0.534 0.007 5.26E-11 2.18E-12 . . . . . . . . . . . . . . . . . . 56 LEU CD1 18116 2 31 . 1 1 56 56 LEU CD2 C 13 0.524 0.007 2.51E-11 4.12E-13 . . . . . . . . . . . . . . . . . . 56 LEU CD2 18116 2 32 . 1 1 61 61 ILE CG2 C 13 0.719 0.016 2.26E-11 9.32E-13 . . . . . . . . . . . . . . . . . . 61 ILE CG2 18116 2 33 . 1 1 61 61 ILE CD1 C 13 0.505 0.025 2.01E-11 4.66E-13 . . . . . . . . . . . . . . . . . . 61 ILE CD1 18116 2 34 . 1 1 67 67 LEU CD1 C 13 0.243 0.037 4.76E-11 1.70E-12 . . . . . . . . . . . . . . . . . . 67 LEU CD1 18116 2 35 . 1 1 67 67 LEU CD2 C 13 0.233 0.022 4.01E-11 4.52E-13 . . . . . . . . . . . . . . . . . . 67 LEU CD2 18116 2 36 . 1 1 69 69 LEU CD2 C 13 0.526 0.012 3.26E-11 1.59E-12 . . . . . . . . . . . . . . . . . . 69 LEU CD2 18116 2 37 . 1 1 70 70 VAL CG2 C 13 0.336 0.034 6.26E-11 2.25E-12 . . . . . . . . . . . . . . . . . . 70 VAL CG2 18116 2 38 . 1 1 71 71 LEU CD1 C 13 0.233 0.002 4.26E-11 2.05E-13 . . . . . . . . . . . . . . . . . . 71 LEU CD1 18116 2 39 . 1 1 73 73 LEU CD1 C 13 0.108 0.029 3.76E-11 5.40E-13 . . . . . . . . . . . . . . . . . . 73 LEU CD1 18116 2 40 . 1 1 73 73 LEU CD2 C 13 0.144 0.011 3.26E-11 5.62E-13 . . . . . . . . . . . . . . . . . . 73 LEU CD2 18116 2 stop_ save_ save_order_parameter_list_3 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_3 _Order_parameter_list.Entry_ID 18116 _Order_parameter_list.ID 3 _Order_parameter_list.Name . _Order_parameter_list.Sample_condition_list_ID 2 _Order_parameter_list.Sample_condition_list_label $sample_conditions_2 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 3 '15N relaxation' . . . 18116 3 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 2 2 GLN N N 15 0.860 0.008 8.51E-11 1.20E-11 . . . . . . . . . . . . . . . . . . 2 Gln N 18116 3 2 . 1 1 3 3 ILE N N 15 0.903 0.008 2.76E-11 1.36E-11 . . . . . . . . . . . . . . . . . . 3 Ile N 18116 3 3 . 1 1 5 5 VAL N N 15 0.819 0.005 2.60E-12 6.69E-12 . . . . . . . . . . . . . . . . . . 5 Val N 18116 3 4 . 1 1 6 6 LYS N N 15 0.832 0.006 7.60E-12 7.36E-12 . . . . . . . . . . . . . . . . . . 6 Lys N 18116 3 5 . 1 1 7 7 THR N N 15 0.862 0.005 2.26E-11 1.64E-12 . . . . . . . . . . . . . . . . . . 7 Thr N 18116 3 6 . 1 1 8 8 LEU N N 15 0.808 0.006 2.76E-11 7.19E-12 . . . . . . . . . . . . . . . . . . 8 Leu N 18116 3 7 . 1 1 9 9 THR N N 15 0.750 0.008 6.26E-11 2.78E-12 . . . . . . . . . . . . . . . . . . 9 Thr N 18116 3 8 . 1 1 10 10 GLY N N 15 0.693 0.012 4.26E-11 4.26E-12 . . . . . . . . . . . . . . . . . . 10 Gly N 18116 3 9 . 1 1 11 11 LYS N N 15 0.728 0.006 5.51E-11 2.10E-12 . . . . . . . . . . . . . . . . . . 11 Lys N 18116 3 10 . 1 1 12 12 THR N N 15 0.769 0.007 5.76E-11 2.31E-12 . . . . . . . . . . . . . . . . . . 12 Thr N 18116 3 11 . 1 1 13 13 ILE N N 15 0.860 0.008 3.76E-11 3.26E-12 . . . . . . . . . . . . . . . . . . 13 Ile N 18116 3 12 . 1 1 14 14 THR N N 15 0.846 0.006 1.76E-11 3.58E-12 . . . . . . . . . . . . . . . . . . 14 Thr N 18116 3 13 . 1 1 15 15 LEU N N 15 0.873 0.003 1.00E-13 3.52E-12 . . . . . . . . . . . . . . . . . . 15 Leu N 18116 3 14 . 1 1 17 17 VAL N N 15 0.892 0.003 8.01E-11 8.23E-12 . . . . . . . . . . . . . . . . . . 17 Val N 18116 3 15 . 1 1 20 20 SER N N 15 0.849 0.006 4.01E-11 4.29E-12 . . . . . . . . . . . . . . . . . . 20 Ser N 18116 3 16 . 1 1 21 21 ASP N N 15 0.931 0.005 1.00E-13 1.39E-11 . . . . . . . . . . . . . . . . . . 21 Asp N 18116 3 17 . 1 1 22 22 THR N N 15 0.860 0.004 1.01E-11 6.08E-12 . . . . . . . . . . . . . . . . . . 22 Thr N 18116 3 18 . 1 1 23 23 ILE N N 15 0.974 0.006 2.75E-10 2.35E-11 . . . . . . . . . . . . . . . . . . 23 Ile N 18116 3 19 . 1 1 26 26 VAL N N 15 0.898 0.006 1.01E-11 2.26E-11 . . . . . . . . . . . . . . . . . . 26 Val N 18116 3 20 . 1 1 27 27 LYS N N 15 0.950 0.004 1.00E-13 2.08E-11 . . . . . . . . . . . . . . . . . . 27 Lys N 18116 3 21 . 1 1 28 28 ALA N N 15 0.950 0.004 2.76E-11 5.33E-12 . . . . . . . . . . . . . . . . . . 28 Ala N 18116 3 22 . 1 1 29 29 LYS N N 15 0.895 0.005 5.10E-12 1.83E-11 . . . . . . . . . . . . . . . . . . 29 Lys N 18116 3 23 . 1 1 30 30 ILE N N 15 0.917 0.003 3.51E-11 6.69E-12 . . . . . . . . . . . . . . . . . . 30 Ile N 18116 3 24 . 1 1 32 32 ASP N N 15 0.928 0.004 4.26E-11 9.67E-12 . . . . . . . . . . . . . . . . . . 32 Asp N 18116 3 25 . 1 1 33 33 LYS N N 15 0.851 0.005 1.00E-13 5.59E-12 . . . . . . . . . . . . . . . . . . 33 Lys N 18116 3 26 . 1 1 34 34 GLU N N 15 0.851 0.005 2.60E-12 2.41E-12 . . . . . . . . . . . . . . . . . . 34 Glu N 18116 3 27 . 1 1 35 35 GLY N N 15 0.909 0.005 2.26E-11 1.08E-11 . . . . . . . . . . . . . . . . . . 35 Gly N 18116 3 28 . 1 1 36 36 ILE N N 15 0.802 0.007 1.00E-13 1.68E-12 . . . . . . . . . . . . . . . . . . 36 Ile N 18116 3 29 . 1 1 39 39 ASP N N 15 0.895 0.002 7.60E-12 2.54E-12 . . . . . . . . . . . . . . . . . . 39 Asp N 18116 3 30 . 1 1 40 40 GLN N N 15 0.892 0.006 2.76E-11 1.97E-12 . . . . . . . . . . . . . . . . . . 40 Gln N 18116 3 31 . 1 1 41 41 GLN N N 15 0.876 0.002 3.01E-11 4.90E-12 . . . . . . . . . . . . . . . . . . 41 Gln N 18116 3 32 . 1 1 44 44 ILE N N 15 0.871 0.002 5.10E-12 8.80E-12 . . . . . . . . . . . . . . . . . . 44 Ile N 18116 3 33 . 1 1 46 46 ALA N N 15 0.895 0.005 3.01E-11 6.62E-12 . . . . . . . . . . . . . . . . . . 46 Ala N 18116 3 34 . 1 1 47 47 GLY N N 15 0.854 0.003 1.76E-11 1.14E-11 . . . . . . . . . . . . . . . . . . 47 Gly N 18116 3 35 . 1 1 49 49 GLN N N 15 0.783 0.006 7.76E-11 4.72E-12 . . . . . . . . . . . . . . . . . . 49 Gln N 18116 3 36 . 1 1 50 50 LEU N N 15 0.862 0.003 2.26E-11 1.46E-11 . . . . . . . . . . . . . . . . . . 50 Leu N 18116 3 37 . 1 1 52 52 ASP N N 15 0.802 0.006 2.51E-11 1.73E-12 . . . . . . . . . . . . . . . . . . 52 Asp N 18116 3 38 . 1 1 54 54 ARG N N 15 0.876 0.004 1.00E-13 2.12E-12 . . . . . . . . . . . . . . . . . . 54 Arg N 18116 3 39 . 1 1 55 55 THR N N 15 0.901 0.007 3.01E-11 1.75E-12 . . . . . . . . . . . . . . . . . . 55 Thr N 18116 3 40 . 1 1 56 56 LEU N N 15 0.936 0.005 3.51E-11 2.99E-12 . . . . . . . . . . . . . . . . . . 56 Leu N 18116 3 41 . 1 1 57 57 SER N N 15 0.895 0.002 1.00E-13 2.32E-12 . . . . . . . . . . . . . . . . . . 57 Ser N 18116 3 42 . 1 1 58 58 ASP N N 15 0.903 0.003 1.00E-13 3.54E-12 . . . . . . . . . . . . . . . . . . 58 Asp N 18116 3 43 . 1 1 59 59 TYR N N 15 0.865 0.003 1.01E-11 2.05E-12 . . . . . . . . . . . . . . . . . . 59 Tyr N 18116 3 44 . 1 1 60 60 ASN N N 15 0.903 0.004 2.51E-11 3.95E-12 . . . . . . . . . . . . . . . . . . 60 Asn N 18116 3 45 . 1 1 62 62 GLN N N 15 0.750 0.013 6.76E-11 5.79E-12 . . . . . . . . . . . . . . . . . . 62 Gln N 18116 3 46 . 1 1 63 63 LYS N N 15 0.862 0.004 2.01E-11 1.75E-12 . . . . . . . . . . . . . . . . . . 63 Lys N 18116 3 47 . 1 1 64 64 GLU N N 15 0.906 0.009 2.51E-11 3.89E-12 . . . . . . . . . . . . . . . . . . 64 Glu N 18116 3 48 . 1 1 65 65 SER N N 15 0.890 0.004 1.00E-13 6.19E-12 . . . . . . . . . . . . . . . . . . 65 Ser N 18116 3 49 . 1 1 66 66 THR N N 15 0.841 0.004 1.00E-13 3.19E-12 . . . . . . . . . . . . . . . . . . 66 Thr N 18116 3 50 . 1 1 67 67 LEU N N 15 0.868 0.002 2.26E-11 3.46E-12 . . . . . . . . . . . . . . . . . . 67 Leu N 18116 3 51 . 1 1 68 68 HIS N N 15 0.879 0.004 7.60E-12 3.97E-12 . . . . . . . . . . . . . . . . . . 68 His N 18116 3 52 . 1 1 70 70 VAL N N 15 0.923 0.005 1.15E-10 7.51E-12 . . . . . . . . . . . . . . . . . . 70 Val N 18116 3 53 . 1 1 71 71 LEU N N 15 0.862 0.005 7.51E-11 6.47E-12 . . . . . . . . . . . . . . . . . . 71 Leu N 18116 3 stop_ save_ save_order_parameter_list_4 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_4 _Order_parameter_list.Entry_ID 18116 _Order_parameter_list.ID 4 _Order_parameter_list.Name . _Order_parameter_list.Sample_condition_list_ID 2 _Order_parameter_list.Sample_condition_list_label $sample_conditions_2 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 4 '2H relaxation' . . . 18116 4 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 3 3 ILE CG2 C 13 0.835 0.052 3.51E-11 2.13E-13 . . . . . . . . . . . . . . . . . . 3 ILE CG2 18116 4 2 . 1 1 3 3 ILE CD1 C 13 0.663 0.040 1.01E-11 2.05E-12 . . . . . . . . . . . . . . . . . . 3 ILE CD1 18116 4 3 . 1 1 5 5 VAL CG1 C 13 0.768 0.008 3.26E-11 1.82E-12 . . . . . . . . . . . . . . . . . . 5 VAL CG1 18116 4 4 . 1 1 5 5 VAL CG2 C 13 0.750 0.008 2.01E-11 1.17E-12 . . . . . . . . . . . . . . . . . . 5 VAL CG2 18116 4 5 . 1 1 7 7 THR CG2 C 13 0.707 0.006 4.01E-11 7.10E-13 . . . . . . . . . . . . . . . . . . 7 THR CG2 18116 4 6 . 1 1 8 8 LEU CD1 C 13 0.235 0.041 4.01E-11 1.61E-12 . . . . . . . . . . . . . . . . . . 8 LEU CD1 18116 4 7 . 1 1 9 9 THR CG2 C 13 0.576 0.011 3.01E-11 7.71E-13 . . . . . . . . . . . . . . . . . . 9 THR CG2 18116 4 8 . 1 1 13 13 ILE CG2 C 13 0.568 0.012 3.26E-11 4.02E-13 . . . . . . . . . . . . . . . . . . 13 ILE CG2 18116 4 9 . 1 1 13 13 ILE CD1 C 13 0.493 0.007 2.01E-11 8.14E-13 . . . . . . . . . . . . . . . . . . 13 ILE CD1 18116 4 10 . 1 1 14 14 THR CG2 C 13 0.633 0.011 4.51E-11 2.00E-12 . . . . . . . . . . . . . . . . . . 14 THR CG2 18116 4 11 . 1 1 15 15 LEU CD1 C 13 0.443 0.010 3.51E-11 2.43E-13 . . . . . . . . . . . . . . . . . . 15 LEU CD1 18116 4 12 . 1 1 15 15 LEU CD2 C 13 0.463 0.015 2.76E-11 1.40E-12 . . . . . . . . . . . . . . . . . . 15 LEU CD2 18116 4 13 . 1 1 17 17 VAL CG1 C 13 0.800 0.028 3.51E-11 4.35E-13 . . . . . . . . . . . . . . . . . . 17 VAL CG1 18116 4 14 . 1 1 17 17 VAL CG2 C 13 0.750 0.023 6.51E-11 3.03E-12 . . . . . . . . . . . . . . . . . . 17 VAL CG2 18116 4 15 . 1 1 22 22 THR CG2 C 13 0.867 0.007 2.76E-11 5.98E-13 . . . . . . . . . . . . . . . . . . 22 THR CG2 18116 4 16 . 1 1 23 23 ILE CG2 C 13 0.760 0.008 2.51E-11 3.34E-13 . . . . . . . . . . . . . . . . . . 23 ILE CG2 18116 4 17 . 1 1 23 23 ILE CD1 C 13 0.485 0.022 2.51E-11 3.15E-12 . . . . . . . . . . . . . . . . . . 23 ILE CD1 18116 4 18 . 1 1 26 26 VAL CG1 C 13 0.762 0.022 3.51E-11 8.45E-13 . . . . . . . . . . . . . . . . . . 26 VAL CG1 18116 4 19 . 1 1 30 30 ILE CG2 C 13 0.841 0.007 2.51E-11 8.61E-13 . . . . . . . . . . . . . . . . . . 30 ILE CG2 18116 4 20 . 1 1 30 30 ILE CD1 C 13 0.699 0.006 1.26E-11 1.02E-12 . . . . . . . . . . . . . . . . . . 30 ILE CD1 18116 4 21 . 1 1 36 36 ILE CG2 C 13 0.728 0.011 6.26E-11 3.15E-12 . . . . . . . . . . . . . . . . . . 36 ILE CG2 18116 4 22 . 1 1 36 36 ILE CD1 C 13 0.493 0.018 2.01E-11 6.09E-13 . . . . . . . . . . . . . . . . . . 36 ILE CD1 18116 4 23 . 1 1 43 43 LEU CD1 C 13 0.554 0.006 5.01E-11 2.44E-12 . . . . . . . . . . . . . . . . . . 43 LEU CD1 18116 4 24 . 1 1 43 43 LEU CD2 C 13 0.441 0.022 3.26E-11 2.50E-12 . . . . . . . . . . . . . . . . . . 43 LEU CD2 18116 4 25 . 1 1 44 44 ILE CG2 C 13 0.649 0.018 3.51E-11 4.32E-13 . . . . . . . . . . . . . . . . . . 44 ILE CG2 18116 4 26 . 1 1 44 44 ILE CD1 C 13 0.201 0.030 2.26E-11 2.27E-12 . . . . . . . . . . . . . . . . . . 44 ILE CD1 18116 4 27 . 1 1 46 46 ALA CB C 13 0.790 0.048 1.76E-11 5.96E-13 . . . . . . . . . . . . . . . . . . 46 ALA CB 18116 4 28 . 1 1 50 50 LEU CD1 C 13 0.689 0.005 2.76E-11 6.71E-13 . . . . . . . . . . . . . . . . . . 50 LEU CD1 18116 4 29 . 1 1 50 50 LEU CD2 C 13 0.695 0.008 1.76E-11 5.23E-13 . . . . . . . . . . . . . . . . . . 50 LEU CD2 18116 4 30 . 1 1 56 56 LEU CD1 C 13 0.546 0.012 5.51E-11 3.02E-12 . . . . . . . . . . . . . . . . . . 56 LEU CD1 18116 4 31 . 1 1 56 56 LEU CD2 C 13 0.550 0.021 2.26E-11 8.89E-13 . . . . . . . . . . . . . . . . . . 56 LEU CD2 18116 4 32 . 1 1 61 61 ILE CG2 C 13 0.762 0.019 2.01E-11 3.65E-13 . . . . . . . . . . . . . . . . . . 61 ILE CG2 18116 4 33 . 1 1 61 61 ILE CD1 C 13 0.536 0.004 2.01E-11 2.72E-12 . . . . . . . . . . . . . . . . . . 61 ILE CD1 18116 4 34 . 1 1 67 67 LEU CD1 C 13 0.259 0.024 5.01E-11 2.50E-12 . . . . . . . . . . . . . . . . . . 67 LEU CD1 18116 4 35 . 1 1 67 67 LEU CD2 C 13 0.257 0.040 4.01E-11 1.62E-12 . . . . . . . . . . . . . . . . . . 67 LEU CD2 18116 4 36 . 1 1 69 69 LEU CD2 C 13 0.546 0.023 3.26E-11 1.38E-12 . . . . . . . . . . . . . . . . . . 69 LEU CD2 18116 4 37 . 1 1 70 70 VAL CG2 C 13 0.368 0.011 6.51E-11 2.05E-12 . . . . . . . . . . . . . . . . . . 70 VAL CG2 18116 4 38 . 1 1 71 71 LEU CD1 C 13 0.241 0.023 4.26E-11 7.31E-13 . . . . . . . . . . . . . . . . . . 71 LEU CD1 18116 4 39 . 1 1 73 73 LEU CD1 C 13 0.116 0.022 3.76E-11 2.15E-12 . . . . . . . . . . . . . . . . . . 73 LEU CD1 18116 4 40 . 1 1 73 73 LEU CD2 C 13 0.156 0.011 3.26E-11 7.97E-13 . . . . . . . . . . . . . . . . . . 73 LEU CD2 18116 4 stop_ save_ save_order_parameter_list_5 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_5 _Order_parameter_list.Entry_ID 18116 _Order_parameter_list.ID 5 _Order_parameter_list.Name . _Order_parameter_list.Sample_condition_list_ID 3 _Order_parameter_list.Sample_condition_list_label $sample_conditions_3 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 5 '15N relaxation' . . . 18116 5 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 2 2 GLN N N 15 0.862 0.002 9.01E-11 4.80E-12 . . . . . . . . . . . . . . . . . . 2 Gln N 18116 5 2 . 1 1 3 3 ILE N N 15 0.895 0.006 2.01E-11 3.76E-12 . . . . . . . . . . . . . . . . . . 3 Ile N 18116 5 3 . 1 1 5 5 VAL N N 15 0.849 0.003 7.60E-12 3.07E-12 . . . . . . . . . . . . . . . . . . 5 Val N 18116 5 4 . 1 1 6 6 LYS N N 15 0.756 0.011 1.76E-11 6.76E-12 . . . . . . . . . . . . . . . . . . 6 Lys N 18116 5 5 . 1 1 7 7 THR N N 15 0.865 0.003 1.76E-11 2.89E-12 . . . . . . . . . . . . . . . . . . 7 Thr N 18116 5 6 . 1 1 8 8 LEU N N 15 0.849 0.004 3.76E-11 1.34E-12 . . . . . . . . . . . . . . . . . . 8 Leu N 18116 5 7 . 1 1 9 9 THR N N 15 0.783 0.005 7.01E-11 2.58E-12 . . . . . . . . . . . . . . . . . . 9 Thr N 18116 5 8 . 1 1 10 10 GLY N N 15 0.778 0.002 4.76E-11 1.42E-12 . . . . . . . . . . . . . . . . . . 10 Gly N 18116 5 9 . 1 1 11 11 LYS N N 15 0.742 0.007 8.01E-11 4.57E-12 . . . . . . . . . . . . . . . . . . 11 Lys N 18116 5 10 . 1 1 12 12 THR N N 15 0.775 0.005 4.51E-11 2.52E-12 . . . . . . . . . . . . . . . . . . 12 Thr N 18116 5 11 . 1 1 14 14 THR N N 15 0.871 0.004 1.00E-13 2.83E-12 . . . . . . . . . . . . . . . . . . 14 Thr N 18116 5 12 . 1 1 15 15 LEU N N 15 0.868 0.003 1.00E-13 6.39E-12 . . . . . . . . . . . . . . . . . . 15 Leu N 18116 5 13 . 1 1 17 17 VAL N N 15 0.903 0.004 7.76E-11 1.23E-11 . . . . . . . . . . . . . . . . . . 17 Val N 18116 5 14 . 1 1 20 20 SER N N 15 0.860 0.004 3.26E-11 1.30E-11 . . . . . . . . . . . . . . . . . . 20 Ser N 18116 5 15 . 1 1 21 21 ASP N N 15 0.964 0.006 4.98E-10 4.03E-11 . . . . . . . . . . . . . . . . . . 21 Asp N 18116 5 16 . 1 1 22 22 THR N N 15 0.892 0.005 3.26E-11 1.32E-11 . . . . . . . . . . . . . . . . . . 22 Thr N 18116 5 17 . 1 1 23 23 ILE N N 15 0.964 0.007 2.80E-10 2.13E-11 . . . . . . . . . . . . . . . . . . 23 Ile N 18116 5 18 . 1 1 26 26 VAL N N 15 0.892 0.003 1.51E-11 1.41E-11 . . . . . . . . . . . . . . . . . . 26 Val N 18116 5 19 . 1 1 27 27 LYS N N 15 0.865 0.005 3.51E-11 1.53E-11 . . . . . . . . . . . . . . . . . . 27 Lys N 18116 5 20 . 1 1 28 28 ALA N N 15 0.939 0.005 6.01E-11 2.02E-11 . . . . . . . . . . . . . . . . . . 28 Ala N 18116 5 21 . 1 1 29 29 LYS N N 15 0.862 0.007 5.51E-11 1.54E-11 . . . . . . . . . . . . . . . . . . 29 Lys N 18116 5 22 . 1 1 30 30 ILE N N 15 0.909 0.003 4.26E-11 4.01E-12 . . . . . . . . . . . . . . . . . . 30 Ile N 18116 5 23 . 1 1 32 32 ASP N N 15 0.912 0.003 7.60E-12 4.31E-12 . . . . . . . . . . . . . . . . . . 32 Asp N 18116 5 24 . 1 1 33 33 LYS N N 15 0.832 0.008 1.51E-11 5.03E-12 . . . . . . . . . . . . . . . . . . 33 Lys N 18116 5 25 . 1 1 34 34 GLU N N 15 0.849 0.004 5.10E-12 1.03E-12 . . . . . . . . . . . . . . . . . . 34 Glu N 18116 5 26 . 1 1 35 35 GLY N N 15 0.923 0.006 1.00E-13 2.16E-12 . . . . . . . . . . . . . . . . . . 35 Gly N 18116 5 27 . 1 1 36 36 ILE N N 15 0.797 0.008 1.26E-11 1.96E-12 . . . . . . . . . . . . . . . . . . 36 Ile N 18116 5 28 . 1 1 39 39 ASP N N 15 0.898 0.004 7.60E-12 3.77E-12 . . . . . . . . . . . . . . . . . . 39 Asp N 18116 5 29 . 1 1 40 40 GLN N N 15 0.898 0.003 5.51E-11 3.34E-12 . . . . . . . . . . . . . . . . . . 40 Gln N 18116 5 30 . 1 1 41 41 GLN N N 15 0.882 0.002 3.51E-11 2.36E-12 . . . . . . . . . . . . . . . . . . 41 Gln N 18116 5 31 . 1 1 44 44 ILE N N 15 0.862 0.002 1.00E-13 2.48E-12 . . . . . . . . . . . . . . . . . . 44 Ile N 18116 5 32 . 1 1 46 46 ALA N N 15 0.862 0.004 1.76E-11 1.86E-12 . . . . . . . . . . . . . . . . . . 46 Ala N 18116 5 33 . 1 1 47 47 GLY N N 15 0.841 0.002 5.10E-12 2.49E-12 . . . . . . . . . . . . . . . . . . 47 Gly N 18116 5 34 . 1 1 49 49 GLN N N 15 0.761 0.008 5.76E-11 3.00E-12 . . . . . . . . . . . . . . . . . . 49 Gln N 18116 5 35 . 1 1 50 50 LEU N N 15 0.865 0.004 4.76E-11 2.54E-12 . . . . . . . . . . . . . . . . . . 50 Leu N 18116 5 36 . 1 1 52 52 ASP N N 15 0.808 0.007 2.76E-11 2.36E-12 . . . . . . . . . . . . . . . . . . 52 Asp N 18116 5 37 . 1 1 54 54 ARG N N 15 0.887 0.004 1.00E-13 3.61E-12 . . . . . . . . . . . . . . . . . . 54 Arg N 18116 5 38 . 1 1 55 55 THR N N 15 0.912 0.003 3.51E-11 2.83E-12 . . . . . . . . . . . . . . . . . . 55 Thr N 18116 5 39 . 1 1 56 56 LEU N N 15 0.936 0.002 3.26E-11 2.92E-12 . . . . . . . . . . . . . . . . . . 56 Leu N 18116 5 40 . 1 1 57 57 SER N N 15 0.912 0.003 1.00E-13 1.82E-12 . . . . . . . . . . . . . . . . . . 57 Ser N 18116 5 41 . 1 1 58 58 ASP N N 15 0.923 0.003 1.00E-13 2.10E-12 . . . . . . . . . . . . . . . . . . 58 Asp N 18116 5 42 . 1 1 59 59 TYR N N 15 0.854 0.006 1.76E-11 2.07E-12 . . . . . . . . . . . . . . . . . . 59 Tyr N 18116 5 43 . 1 1 60 60 ASN N N 15 0.892 0.003 3.01E-11 1.88E-12 . . . . . . . . . . . . . . . . . . 60 Asn N 18116 5 44 . 1 1 62 62 GLN N N 15 0.734 0.014 5.01E-11 2.66E-12 . . . . . . . . . . . . . . . . . . 62 Gln N 18116 5 45 . 1 1 63 63 LYS N N 15 0.851 0.004 1.00E-13 5.17E-12 . . . . . . . . . . . . . . . . . . 63 Lys N 18116 5 46 . 1 1 64 64 GLU N N 15 0.895 0.003 3.76E-11 2.56E-12 . . . . . . . . . . . . . . . . . . 64 Glu N 18116 5 47 . 1 1 65 65 SER N N 15 0.895 0.002 5.10E-12 4.24E-12 . . . . . . . . . . . . . . . . . . 65 Ser N 18116 5 48 . 1 1 66 66 THR N N 15 0.868 0.004 1.00E-13 6.90E-12 . . . . . . . . . . . . . . . . . . 66 Thr N 18116 5 49 . 1 1 68 68 HIS N N 15 0.873 0.005 3.51E-11 6.00E-12 . . . . . . . . . . . . . . . . . . 68 His N 18116 5 50 . 1 1 70 70 VAL N N 15 0.953 0.010 1.85E-10 1.36E-11 . . . . . . . . . . . . . . . . . . 70 Val N 18116 5 51 . 1 1 71 71 LEU N N 15 0.832 0.011 4.26E-11 8.85E-12 . . . . . . . . . . . . . . . . . . 71 Leu N 18116 5 stop_ save_ save_order_parameter_list_6 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_6 _Order_parameter_list.Entry_ID 18116 _Order_parameter_list.ID 6 _Order_parameter_list.Name . _Order_parameter_list.Sample_condition_list_ID 3 _Order_parameter_list.Sample_condition_list_label $sample_conditions_3 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 6 '2H relaxation' . . . 18116 6 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 3 3 ILE CG2 C 13 0.832 0.054 3.51E-11 1.92E-13 . . . . . . . . . . . . . . . . . . 3 ILE CG2 18116 6 2 . 1 1 3 3 ILE CD1 C 13 0.665 0.045 1.01E-11 2.20E-12 . . . . . . . . . . . . . . . . . . 3 ILE CD1 18116 6 3 . 1 1 5 5 VAL CG1 C 13 0.756 0.007 3.26E-11 1.81E-12 . . . . . . . . . . . . . . . . . . 5 VAL CG1 18116 6 4 . 1 1 5 5 VAL CG2 C 13 0.736 0.007 2.01E-11 1.26E-12 . . . . . . . . . . . . . . . . . . 5 VAL CG2 18116 6 5 . 1 1 7 7 THR CG2 C 13 0.756 0.002 3.76E-11 4.80E-13 . . . . . . . . . . . . . . . . . . 7 THR CG2 18116 6 6 . 1 1 8 8 LEU CD1 C 13 0.243 0.039 4.26E-11 1.78E-12 . . . . . . . . . . . . . . . . . . 8 LEU CD1 18116 6 7 . 1 1 9 9 THR CG2 C 13 0.594 0.012 3.01E-11 6.88E-13 . . . . . . . . . . . . . . . . . . 9 THR CG2 18116 6 8 . 1 1 13 13 ILE CG2 C 13 0.570 0.012 3.26E-11 3.70E-13 . . . . . . . . . . . . . . . . . . 13 ILE CG2 18116 6 9 . 1 1 13 13 ILE CD1 C 13 0.508 0.007 2.01E-11 8.13E-13 . . . . . . . . . . . . . . . . . . 13 ILE CD1 18116 6 10 . 1 1 14 14 THR CG2 C 13 0.629 0.010 4.51E-11 2.00E-12 . . . . . . . . . . . . . . . . . . 14 THR CG2 18116 6 11 . 1 1 15 15 LEU CD1 C 13 0.463 0.008 3.51E-11 2.28E-13 . . . . . . . . . . . . . . . . . . 15 LEU CD1 18116 6 12 . 1 1 15 15 LEU CD2 C 13 0.465 0.016 2.76E-11 1.40E-12 . . . . . . . . . . . . . . . . . . 15 LEU CD2 18116 6 13 . 1 1 17 17 VAL CG1 C 13 0.818 0.028 3.51E-11 4.18E-13 . . . . . . . . . . . . . . . . . . 17 VAL CG1 18116 6 14 . 1 1 17 17 VAL CG2 C 13 0.770 0.025 6.51E-11 2.99E-12 . . . . . . . . . . . . . . . . . . 17 VAL CG2 18116 6 15 . 1 1 22 22 THR CG2 C 13 0.853 0.006 2.76E-11 5.37E-13 . . . . . . . . . . . . . . . . . . 22 THR CG2 18116 6 16 . 1 1 23 23 ILE CG2 C 13 0.762 0.007 2.51E-11 2.57E-13 . . . . . . . . . . . . . . . . . . 23 ILE CG2 18116 6 17 . 1 1 23 23 ILE CD1 C 13 0.489 0.022 2.51E-11 3.26E-12 . . . . . . . . . . . . . . . . . . 23 ILE CD1 18116 6 18 . 1 1 26 26 VAL CG1 C 13 0.754 0.021 3.51E-11 8.56E-13 . . . . . . . . . . . . . . . . . . 26 VAL CG1 18116 6 19 . 1 1 30 30 ILE CG2 C 13 0.816 0.007 2.51E-11 8.19E-13 . . . . . . . . . . . . . . . . . . 30 ILE CG2 18116 6 20 . 1 1 30 30 ILE CD1 C 13 0.695 0.006 1.26E-11 1.01E-12 . . . . . . . . . . . . . . . . . . 30 ILE CD1 18116 6 21 . 1 1 36 36 ILE CG2 C 13 0.742 0.009 6.26E-11 3.21E-12 . . . . . . . . . . . . . . . . . . 36 ILE CG2 18116 6 22 . 1 1 36 36 ILE CD1 C 13 0.499 0.016 2.01E-11 5.73E-13 . . . . . . . . . . . . . . . . . . 36 ILE CD1 18116 6 23 . 1 1 43 43 LEU CD1 C 13 0.524 0.005 5.26E-11 2.60E-12 . . . . . . . . . . . . . . . . . . 43 LEU CD1 18116 6 24 . 1 1 43 43 LEU CD2 C 13 0.455 0.022 3.26E-11 2.58E-12 . . . . . . . . . . . . . . . . . . 43 LEU CD2 18116 6 25 . 1 1 44 44 ILE CG2 C 13 0.621 0.016 3.76E-11 5.49E-13 . . . . . . . . . . . . . . . . . . 44 ILE CG2 18116 6 26 . 1 1 44 44 ILE CD1 C 13 0.205 0.027 2.26E-11 2.43E-12 . . . . . . . . . . . . . . . . . . 44 ILE CD1 18116 6 27 . 1 1 46 46 ALA CB C 13 0.786 0.047 1.76E-11 6.18E-13 . . . . . . . . . . . . . . . . . . 46 ALA CB 18116 6 28 . 1 1 50 50 LEU CD1 C 13 0.707 0.007 2.76E-11 7.99E-13 . . . . . . . . . . . . . . . . . . 50 LEU CD1 18116 6 29 . 1 1 50 50 LEU CD2 C 13 0.701 0.007 1.51E-11 6.97E-13 . . . . . . . . . . . . . . . . . . 50 LEU CD2 18116 6 30 . 1 1 56 56 LEU CD1 C 13 0.580 0.010 5.51E-11 3.16E-12 . . . . . . . . . . . . . . . . . . 56 LEU CD1 18116 6 31 . 1 1 56 56 LEU CD2 C 13 0.546 0.021 2.26E-11 1.18E-12 . . . . . . . . . . . . . . . . . . 56 LEU CD2 18116 6 32 . 1 1 61 61 ILE CG2 C 13 0.752 0.021 2.01E-11 4.27E-13 . . . . . . . . . . . . . . . . . . 61 ILE CG2 18116 6 33 . 1 1 61 61 ILE CD1 C 13 0.576 0.004 2.01E-11 2.87E-12 . . . . . . . . . . . . . . . . . . 61 ILE CD1 18116 6 34 . 1 1 67 67 LEU CD1 C 13 0.261 0.041 5.26E-11 2.61E-12 . . . . . . . . . . . . . . . . . . 67 LEU CD1 18116 6 35 . 1 1 67 67 LEU CD2 C 13 0.267 0.044 4.26E-11 1.01E-12 . . . . . . . . . . . . . . . . . . 67 LEU CD2 18116 6 36 . 1 1 69 69 LEU CD2 C 13 0.540 0.011 3.76E-11 1.21E-12 . . . . . . . . . . . . . . . . . . 69 LEU CD2 18116 6 37 . 1 1 70 70 VAL CG2 C 13 0.395 0.012 6.51E-11 2.18E-12 . . . . . . . . . . . . . . . . . . 70 VAL CG2 18116 6 38 . 1 1 71 71 LEU CD1 C 13 0.241 0.014 4.26E-11 1.54E-12 . . . . . . . . . . . . . . . . . . 71 LEU CD1 18116 6 39 . 1 1 73 73 LEU CD1 C 13 0.106 0.023 3.76E-11 2.31E-12 . . . . . . . . . . . . . . . . . . 73 LEU CD1 18116 6 40 . 1 1 73 73 LEU CD2 C 13 0.158 0.007 3.26E-11 8.43E-13 . . . . . . . . . . . . . . . . . . 73 LEU CD2 18116 6 stop_ save_ save_order_parameter_list_7 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_7 _Order_parameter_list.Entry_ID 18116 _Order_parameter_list.ID 7 _Order_parameter_list.Name . _Order_parameter_list.Sample_condition_list_ID 4 _Order_parameter_list.Sample_condition_list_label $sample_conditions_4 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 7 '15N relaxation' . . . 18116 7 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 2 2 GLN N N 15 0.868 0.003 9.26E-11 1.45E-11 . . . . . . . . . . . . . . . . . . 2 Gln N 18116 7 2 . 1 1 3 3 ILE N N 15 0.909 0.004 1.26E-11 4.39E-12 . . . . . . . . . . . . . . . . . . 3 Ile N 18116 7 3 . 1 1 4 4 PHE N N 15 0.906 0.005 3.51E-11 7.14E-12 . . . . . . . . . . . . . . . . . . 4 Phe N 18116 7 4 . 1 1 5 5 VAL N N 15 0.841 0.005 3.51E-11 3.13E-12 . . . . . . . . . . . . . . . . . . 5 Val N 18116 7 5 . 1 1 6 6 LYS N N 15 0.876 0.004 2.01E-11 6.33E-12 . . . . . . . . . . . . . . . . . . 6 Lys N 18116 7 6 . 1 1 7 7 THR N N 15 0.887 0.005 1.00E-13 3.55E-12 . . . . . . . . . . . . . . . . . . 7 Thr N 18116 7 7 . 1 1 8 8 LEU N N 15 0.835 0.004 3.51E-11 1.99E-12 . . . . . . . . . . . . . . . . . . 8 Leu N 18116 7 8 . 1 1 9 9 THR N N 15 0.786 0.004 5.51E-11 1.27E-11 . . . . . . . . . . . . . . . . . . 9 Thr N 18116 7 9 . 1 1 10 10 GLY N N 15 0.769 0.001 4.51E-11 1.16E-12 . . . . . . . . . . . . . . . . . . 10 Gly N 18116 7 10 . 1 1 11 11 LYS N N 15 0.734 0.008 4.98E-10 3.55E-11 . . . . . . . . . . . . . . . . . . 11 Lys N 18116 7 11 . 1 1 12 12 THR N N 15 0.786 0.007 3.26E-11 2.58E-12 . . . . . . . . . . . . . . . . . . 12 Thr N 18116 7 12 . 1 1 14 14 THR N N 15 0.873 0.002 1.01E-11 3.38E-12 . . . . . . . . . . . . . . . . . . 14 Thr N 18116 7 13 . 1 1 15 15 LEU N N 15 0.906 0.002 6.76E-11 3.62E-12 . . . . . . . . . . . . . . . . . . 15 Leu N 18116 7 14 . 1 1 18 18 GLU N N 15 0.871 0.004 2.76E-11 2.37E-12 . . . . . . . . . . . . . . . . . . 18 Glu N 18116 7 15 . 1 1 20 20 SER N N 15 0.876 0.005 4.01E-11 9.32E-12 . . . . . . . . . . . . . . . . . . 20 Ser N 18116 7 16 . 1 1 21 21 ASP N N 15 0.939 0.005 1.00E-13 1.60E-11 . . . . . . . . . . . . . . . . . . 21 Asp N 18116 7 17 . 1 1 22 22 THR N N 15 0.851 0.009 1.00E-13 1.68E-11 . . . . . . . . . . . . . . . . . . 22 Thr N 18116 7 18 . 1 1 23 23 ILE N N 15 0.958 0.003 2.90E-10 2.00E-11 . . . . . . . . . . . . . . . . . . 23 Ile N 18116 7 19 . 1 1 28 28 ALA N N 15 0.944 0.003 7.60E-12 1.76E-11 . . . . . . . . . . . . . . . . . . 28 Ala N 18116 7 20 . 1 1 29 29 LYS N N 15 0.923 0.003 2.01E-11 1.20E-11 . . . . . . . . . . . . . . . . . . 29 Lys N 18116 7 21 . 1 1 30 30 ILE N N 15 0.914 0.005 2.01E-11 1.19E-11 . . . . . . . . . . . . . . . . . . 30 Ile N 18116 7 22 . 1 1 32 32 ASP N N 15 0.912 0.003 2.51E-11 6.55E-12 . . . . . . . . . . . . . . . . . . 32 Asp N 18116 7 23 . 1 1 33 33 LYS N N 15 0.849 0.006 7.60E-12 8.75E-12 . . . . . . . . . . . . . . . . . . 33 Lys N 18116 7 24 . 1 1 34 34 GLU N N 15 0.862 0.004 2.76E-11 1.54E-12 . . . . . . . . . . . . . . . . . . 34 Glu N 18116 7 25 . 1 1 35 35 GLY N N 15 0.901 0.003 1.00E-13 2.85E-12 . . . . . . . . . . . . . . . . . . 35 Gly N 18116 7 26 . 1 1 36 36 ILE N N 15 0.786 0.010 1.51E-11 1.53E-12 . . . . . . . . . . . . . . . . . . 36 Ile N 18116 7 27 . 1 1 40 40 GLN N N 15 0.887 0.001 3.51E-11 1.62E-12 . . . . . . . . . . . . . . . . . . 40 Gln N 18116 7 28 . 1 1 41 41 GLN N N 15 0.884 0.002 2.76E-11 1.79E-12 . . . . . . . . . . . . . . . . . . 41 Gln N 18116 7 29 . 1 1 44 44 ILE N N 15 0.873 0.001 2.01E-11 1.52E-12 . . . . . . . . . . . . . . . . . . 44 Ile N 18116 7 30 . 1 1 46 46 ALA N N 15 0.871 0.005 2.26E-11 2.50E-12 . . . . . . . . . . . . . . . . . . 46 Ala N 18116 7 31 . 1 1 47 47 GLY N N 15 0.857 0.002 2.26E-11 1.63E-12 . . . . . . . . . . . . . . . . . . 47 Gly N 18116 7 32 . 1 1 49 49 GLN N N 15 0.783 0.004 6.76E-11 2.57E-12 . . . . . . . . . . . . . . . . . . 49 Gln N 18116 7 33 . 1 1 50 50 LEU N N 15 0.865 0.003 3.51E-11 1.94E-12 . . . . . . . . . . . . . . . . . . 50 Leu N 18116 7 34 . 1 1 52 52 ASP N N 15 0.819 0.006 4.01E-11 3.30E-12 . . . . . . . . . . . . . . . . . . 52 Asp N 18116 7 35 . 1 1 54 54 ARG N N 15 0.882 0.002 2.51E-11 1.91E-12 . . . . . . . . . . . . . . . . . . 54 Arg N 18116 7 36 . 1 1 55 55 THR N N 15 0.903 0.002 2.01E-11 1.89E-12 . . . . . . . . . . . . . . . . . . 55 Thr N 18116 7 37 . 1 1 56 56 LEU N N 15 0.906 0.003 1.00E-13 3.50E-12 . . . . . . . . . . . . . . . . . . 56 Leu N 18116 7 38 . 1 1 58 58 ASP N N 15 0.917 0.002 1.01E-11 9.31E-13 . . . . . . . . . . . . . . . . . . 58 Asp N 18116 7 39 . 1 1 59 59 TYR N N 15 0.868 0.004 1.00E-13 4.82E-12 . . . . . . . . . . . . . . . . . . 59 Tyr N 18116 7 40 . 1 1 60 60 ASN N N 15 0.912 0.009 7.60E-12 3.16E-12 . . . . . . . . . . . . . . . . . . 60 Asn N 18116 7 41 . 1 1 61 61 ILE N N 15 0.898 0.003 3.01E-11 2.39E-12 . . . . . . . . . . . . . . . . . . 61 Ile N 18116 7 42 . 1 1 62 62 GLN N N 15 0.731 0.014 4.26E-11 6.69E-12 . . . . . . . . . . . . . . . . . . 62 Gln N 18116 7 43 . 1 1 63 63 LYS N N 15 0.849 0.006 7.60E-12 1.31E-11 . . . . . . . . . . . . . . . . . . 63 Lys N 18116 7 44 . 1 1 64 64 GLU N N 15 0.912 0.004 1.00E-13 6.82E-12 . . . . . . . . . . . . . . . . . . 64 Glu N 18116 7 45 . 1 1 65 65 SER N N 15 0.903 0.003 1.00E-13 5.12E-12 . . . . . . . . . . . . . . . . . . 65 Ser N 18116 7 46 . 1 1 66 66 THR N N 15 0.868 0.006 1.00E-13 1.36E-11 . . . . . . . . . . . . . . . . . . 66 Thr N 18116 7 47 . 1 1 68 68 HIS N N 15 0.841 0.004 3.26E-11 1.49E-11 . . . . . . . . . . . . . . . . . . 68 His N 18116 7 48 . 1 1 70 70 VAL N N 15 0.977 0.014 2.60E-10 1.62E-11 . . . . . . . . . . . . . . . . . . 70 Val N 18116 7 49 . 1 1 71 71 LEU N N 15 0.835 0.011 6.51E-11 1.83E-11 . . . . . . . . . . . . . . . . . . 71 Leu N 18116 7 stop_ save_ save_order_parameter_list_8 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_8 _Order_parameter_list.Entry_ID 18116 _Order_parameter_list.ID 8 _Order_parameter_list.Name . _Order_parameter_list.Sample_condition_list_ID 4 _Order_parameter_list.Sample_condition_list_label $sample_conditions_4 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 8 '2H relaxation' . . . 18116 8 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 3 3 ILE CG2 C 13 0.787 0.049 3.76E-11 4.34E-13 . . . . . . . . . . . . . . . . . . 3 ILE CG2 18116 8 2 . 1 1 3 3 ILE CD1 C 13 0.718 0.039 7.60E-12 1.90E-12 . . . . . . . . . . . . . . . . . . 3 ILE CD1 18116 8 3 . 1 1 5 5 VAL CG1 C 13 0.767 0.007 3.01E-11 1.66E-12 . . . . . . . . . . . . . . . . . . 5 VAL CG1 18116 8 4 . 1 1 5 5 VAL CG2 C 13 0.742 0.004 2.01E-11 1.36E-12 . . . . . . . . . . . . . . . . . . 5 VAL CG2 18116 8 5 . 1 1 7 7 THR CG2 C 13 0.762 0.002 3.76E-11 4.80E-13 . . . . . . . . . . . . . . . . . . 7 THR CG2 18116 8 6 . 1 1 8 8 LEU CD1 C 13 0.282 0.037 4.26E-11 1.81E-12 . . . . . . . . . . . . . . . . . . 8 LEU CD1 18116 8 7 . 1 1 9 9 THR CG2 C 13 0.599 0.014 3.01E-11 6.22E-13 . . . . . . . . . . . . . . . . . . 9 THR CG2 18116 8 8 . 1 1 13 13 ILE CG2 C 13 0.569 0.011 3.26E-11 4.95E-13 . . . . . . . . . . . . . . . . . . 13 ILE CG2 18116 8 9 . 1 1 13 13 ILE CD1 C 13 0.514 0.006 2.01E-11 8.14E-13 . . . . . . . . . . . . . . . . . . 13 ILE CD1 18116 8 10 . 1 1 14 14 THR CG2 C 13 0.599 0.013 4.76E-11 2.05E-12 . . . . . . . . . . . . . . . . . . 14 THR CG2 18116 8 11 . 1 1 15 15 LEU CD1 C 13 0.395 0.026 4.76E-11 1.49E-12 . . . . . . . . . . . . . . . . . . 15 LEU CD1 18116 8 12 . 1 1 15 15 LEU CD2 C 13 0.425 0.024 3.01E-11 1.40E-12 . . . . . . . . . . . . . . . . . . 15 LEU CD2 18116 8 13 . 1 1 17 17 VAL CG1 C 13 0.787 0.023 3.51E-11 1.74E-12 . . . . . . . . . . . . . . . . . . 17 VAL CG1 18116 8 14 . 1 1 17 17 VAL CG2 C 13 0.762 0.026 6.51E-11 2.98E-12 . . . . . . . . . . . . . . . . . . 17 VAL CG2 18116 8 15 . 1 1 22 22 THR CG2 C 13 0.846 0.005 2.76E-11 4.21E-13 . . . . . . . . . . . . . . . . . . 22 THR CG2 18116 8 16 . 1 1 23 23 ILE CG2 C 13 0.737 0.007 2.51E-11 3.66E-13 . . . . . . . . . . . . . . . . . . 23 ILE CG2 18116 8 17 . 1 1 23 23 ILE CD1 C 13 0.500 0.023 2.51E-11 3.16E-12 . . . . . . . . . . . . . . . . . . 23 ILE CD1 18116 8 18 . 1 1 26 26 VAL CG1 C 13 0.767 0.021 3.51E-11 8.52E-13 . . . . . . . . . . . . . . . . . . 26 VAL CG1 18116 8 19 . 1 1 30 30 ILE CG2 C 13 0.851 0.004 2.26E-11 7.97E-13 . . . . . . . . . . . . . . . . . . 30 ILE CG2 18116 8 20 . 1 1 30 30 ILE CD1 C 13 0.708 0.004 1.26E-11 1.91E-12 . . . . . . . . . . . . . . . . . . 30 ILE CD1 18116 8 21 . 1 1 36 36 ILE CG2 C 13 0.737 0.008 6.26E-11 3.23E-12 . . . . . . . . . . . . . . . . . . 36 ILE CG2 18116 8 22 . 1 1 36 36 ILE CD1 C 13 0.524 0.017 1.76E-11 4.76E-13 . . . . . . . . . . . . . . . . . . 36 ILE CD1 18116 8 23 . 1 1 43 43 LEU CD1 C 13 0.604 0.006 4.51E-11 2.42E-12 . . . . . . . . . . . . . . . . . . 43 LEU CD1 18116 8 24 . 1 1 43 43 LEU CD2 C 13 0.445 0.026 3.51E-11 2.30E-12 . . . . . . . . . . . . . . . . . . 43 LEU CD2 18116 8 25 . 1 1 44 44 ILE CG2 C 13 0.653 0.018 3.51E-11 3.55E-13 . . . . . . . . . . . . . . . . . . 44 ILE CG2 18116 8 26 . 1 1 44 44 ILE CD1 C 13 0.222 0.031 2.26E-11 1.92E-12 . . . . . . . . . . . . . . . . . . 44 ILE CD1 18116 8 27 . 1 1 46 46 ALA CB C 13 0.782 0.042 1.76E-11 7.08E-13 . . . . . . . . . . . . . . . . . . 46 ALA CB 18116 8 28 . 1 1 50 50 LEU CD1 C 13 0.698 0.004 2.76E-11 6.64E-13 . . . . . . . . . . . . . . . . . . 50 LEU CD1 18116 8 29 . 1 1 50 50 LEU CD2 C 13 0.698 0.008 1.51E-11 5.98E-13 . . . . . . . . . . . . . . . . . . 50 LEU CD2 18116 8 30 . 1 1 56 56 LEU CD1 C 13 0.609 0.011 5.51E-11 3.46E-12 . . . . . . . . . . . . . . . . . . 56 LEU CD1 18116 8 31 . 1 1 56 56 LEU CD2 C 13 0.589 0.022 2.01E-11 1.34E-12 . . . . . . . . . . . . . . . . . . 56 LEU CD2 18116 8 32 . 1 1 61 61 ILE CG2 C 13 0.752 0.013 2.01E-11 4.65E-13 . . . . . . . . . . . . . . . . . . 61 ILE CG2 18116 8 33 . 1 1 61 61 ILE CD1 C 13 0.604 0.004 2.01E-11 2.77E-12 . . . . . . . . . . . . . . . . . . 61 ILE CD1 18116 8 34 . 1 1 67 67 LEU CD1 C 13 0.291 0.035 5.26E-11 2.50E-12 . . . . . . . . . . . . . . . . . . 67 LEU CD1 18116 8 35 . 1 1 67 67 LEU CD2 C 13 0.291 0.044 4.26E-11 1.04E-12 . . . . . . . . . . . . . . . . . . 67 LEU CD2 18116 8 36 . 1 1 69 69 LEU CD2 C 13 0.564 0.022 4.01E-11 4.34E-13 . . . . . . . . . . . . . . . . . . 69 LEU CD2 18116 8 37 . 1 1 70 70 VAL CG2 C 13 0.400 0.013 7.01E-11 2.38E-12 . . . . . . . . . . . . . . . . . . 70 VAL CG2 18116 8 38 . 1 1 71 71 LEU CD1 C 13 0.262 0.015 4.26E-11 1.54E-12 . . . . . . . . . . . . . . . . . . 71 LEU CD1 18116 8 39 . 1 1 73 73 LEU CD1 C 13 0.123 0.031 3.76E-11 4.46E-13 . . . . . . . . . . . . . . . . . . 73 LEU CD1 18116 8 40 . 1 1 73 73 LEU CD2 C 13 0.138 0.031 3.51E-11 5.97E-13 . . . . . . . . . . . . . . . . . . 73 LEU CD2 18116 8 stop_ save_ save_order_parameter_list_9 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_9 _Order_parameter_list.Entry_ID 18116 _Order_parameter_list.ID 9 _Order_parameter_list.Name . _Order_parameter_list.Sample_condition_list_ID 5 _Order_parameter_list.Sample_condition_list_label $sample_conditions_5 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 9 '15N relaxation' . . . 18116 9 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 2 2 GLN N N 15 0.865 0.004 8.76E-11 6.13E-12 . . . . . . . . . . . . . . . . . . 2 Gln N 18116 9 2 . 1 1 3 3 ILE N N 15 0.898 0.003 1.00E-13 5.69E-12 . . . . . . . . . . . . . . . . . . 3 Ile N 18116 9 3 . 1 1 4 4 PHE N N 15 0.920 0.004 1.76E-11 1.05E-11 . . . . . . . . . . . . . . . . . . 4 Phe N 18116 9 4 . 1 1 5 5 VAL N N 15 0.854 0.004 2.51E-11 4.59E-12 . . . . . . . . . . . . . . . . . . 5 Val N 18116 9 5 . 1 1 6 6 LYS N N 15 0.871 0.005 2.51E-11 1.29E-11 . . . . . . . . . . . . . . . . . . 6 Lys N 18116 9 6 . 1 1 7 7 THR N N 15 0.871 0.006 2.26E-11 5.28E-12 . . . . . . . . . . . . . . . . . . 7 Thr N 18116 9 7 . 1 1 8 8 LEU N N 15 0.824 0.005 4.01E-11 1.45E-12 . . . . . . . . . . . . . . . . . . 8 Leu N 18116 9 8 . 1 1 9 9 THR N N 15 0.753 0.006 6.26E-11 9.31E-12 . . . . . . . . . . . . . . . . . . 9 Thr N 18116 9 9 . 1 1 10 10 GLY N N 15 0.745 0.005 3.76E-11 1.58E-12 . . . . . . . . . . . . . . . . . . 10 Gly N 18116 9 10 . 1 1 11 11 LYS N N 15 0.704 0.008 4.98E-10 3.71E-11 . . . . . . . . . . . . . . . . . . 11 Lys N 18116 9 11 . 1 1 12 12 THR N N 15 0.786 0.006 2.26E-11 2.17E-12 . . . . . . . . . . . . . . . . . . 12 Thr N 18116 9 12 . 1 1 13 13 ILE N N 15 0.860 0.004 4.76E-11 2.55E-12 . . . . . . . . . . . . . . . . . . 13 Ile N 18116 9 13 . 1 1 14 14 THR N N 15 0.884 0.004 2.01E-11 3.38E-12 . . . . . . . . . . . . . . . . . . 14 Thr N 18116 9 14 . 1 1 15 15 LEU N N 15 0.898 0.003 5.76E-11 3.55E-12 . . . . . . . . . . . . . . . . . . 15 Leu N 18116 9 15 . 1 1 18 18 GLU N N 15 0.890 0.004 1.26E-11 6.74E-12 . . . . . . . . . . . . . . . . . . 18 Glu N 18116 9 16 . 1 1 20 20 SER N N 15 0.865 0.008 1.26E-11 1.86E-11 . . . . . . . . . . . . . . . . . . 20 Ser N 18116 9 17 . 1 1 21 21 ASP N N 15 0.988 0.009 6.76E-11 1.18E-11 . . . . . . . . . . . . . . . . . . 21 Asp N 18116 9 18 . 1 1 22 22 THR N N 15 0.862 0.007 1.26E-11 1.80E-11 . . . . . . . . . . . . . . . . . . 22 Thr N 18116 9 19 . 1 1 23 23 ILE N N 15 0.969 0.007 2.75E-10 2.17E-11 . . . . . . . . . . . . . . . . . . 23 Ile N 18116 9 20 . 1 1 27 27 LYS N N 15 0.983 0.005 1.00E-13 3.24E-11 . . . . . . . . . . . . . . . . . . 27 Lys N 18116 9 21 . 1 1 28 28 ALA N N 15 0.966 0.004 4.98E-10 4.08E-11 . . . . . . . . . . . . . . . . . . 28 Ala N 18116 9 22 . 1 1 29 29 LYS N N 15 0.953 0.003 4.26E-11 2.33E-11 . . . . . . . . . . . . . . . . . . 29 Lys N 18116 9 23 . 1 1 30 30 ILE N N 15 0.909 0.004 4.26E-11 1.94E-11 . . . . . . . . . . . . . . . . . . 30 Ile N 18116 9 24 . 1 1 32 32 ASP N N 15 0.931 0.004 4.26E-11 1.93E-11 . . . . . . . . . . . . . . . . . . 32 Asp N 18116 9 25 . 1 1 33 33 LYS N N 15 0.816 0.009 7.26E-11 1.42E-11 . . . . . . . . . . . . . . . . . . 33 Lys N 18116 9 26 . 1 1 34 34 GLU N N 15 0.860 0.004 1.01E-11 1.10E-12 . . . . . . . . . . . . . . . . . . 34 Glu N 18116 9 27 . 1 1 35 35 GLY N N 15 0.912 0.005 1.00E-13 2.27E-12 . . . . . . . . . . . . . . . . . . 35 Gly N 18116 9 28 . 1 1 36 36 ILE N N 15 0.830 0.007 2.01E-11 2.37E-12 . . . . . . . . . . . . . . . . . . 36 Ile N 18116 9 29 . 1 1 40 40 GLN N N 15 0.906 0.004 1.51E-11 1.51E-12 . . . . . . . . . . . . . . . . . . 40 Gln N 18116 9 30 . 1 1 41 41 GLN N N 15 0.884 0.004 2.76E-11 1.38E-12 . . . . . . . . . . . . . . . . . . 41 Gln N 18116 9 31 . 1 1 44 44 ILE N N 15 0.857 0.003 2.01E-11 2.32E-12 . . . . . . . . . . . . . . . . . . 44 Ile N 18116 9 32 . 1 1 46 46 ALA N N 15 0.821 0.004 2.26E-11 2.26E-12 . . . . . . . . . . . . . . . . . . 46 Ala N 18116 9 33 . 1 1 47 47 GLY N N 15 0.838 0.002 7.60E-12 2.17E-12 . . . . . . . . . . . . . . . . . . 47 Gly N 18116 9 34 . 1 1 49 49 GLN N N 15 0.786 0.005 5.76E-11 3.34E-12 . . . . . . . . . . . . . . . . . . 49 Gln N 18116 9 35 . 1 1 50 50 LEU N N 15 0.854 0.004 1.00E-13 7.55E-12 . . . . . . . . . . . . . . . . . . 50 Leu N 18116 9 36 . 1 1 52 52 ASP N N 15 0.824 0.006 3.51E-11 2.21E-12 . . . . . . . . . . . . . . . . . . 52 Asp N 18116 9 37 . 1 1 54 54 ARG N N 15 0.909 0.004 3.51E-11 1.94E-12 . . . . . . . . . . . . . . . . . . 54 Arg N 18116 9 38 . 1 1 55 55 THR N N 15 0.898 0.003 3.01E-11 2.34E-12 . . . . . . . . . . . . . . . . . . 55 Thr N 18116 9 39 . 1 1 56 56 LEU N N 15 0.920 0.004 1.00E-13 5.42E-12 . . . . . . . . . . . . . . . . . . 56 Leu N 18116 9 40 . 1 1 58 58 ASP N N 15 0.925 0.003 1.00E-13 1.77E-12 . . . . . . . . . . . . . . . . . . 58 Asp N 18116 9 41 . 1 1 59 59 TYR N N 15 0.851 0.004 7.60E-12 3.86E-12 . . . . . . . . . . . . . . . . . . 59 Tyr N 18116 9 42 . 1 1 60 60 ASN N N 15 0.898 0.007 1.51E-11 4.57E-12 . . . . . . . . . . . . . . . . . . 60 Asn N 18116 9 43 . 1 1 61 61 ILE N N 15 0.906 0.004 4.76E-11 4.81E-12 . . . . . . . . . . . . . . . . . . 61 Ile N 18116 9 44 . 1 1 62 62 GLN N N 15 0.742 0.011 2.76E-11 2.62E-12 . . . . . . . . . . . . . . . . . . 62 Gln N 18116 9 45 . 1 1 63 63 LYS N N 15 0.906 0.005 1.51E-11 8.55E-12 . . . . . . . . . . . . . . . . . . 63 Lys N 18116 9 46 . 1 1 64 64 GLU N N 15 0.882 0.006 1.01E-11 1.81E-12 . . . . . . . . . . . . . . . . . . 64 Glu N 18116 9 47 . 1 1 65 65 SER N N 15 0.879 0.002 1.76E-11 1.78E-12 . . . . . . . . . . . . . . . . . . 65 Ser N 18116 9 48 . 1 1 66 66 THR N N 15 0.851 0.004 1.76E-11 6.18E-12 . . . . . . . . . . . . . . . . . . 66 Thr N 18116 9 49 . 1 1 67 67 LEU N N 15 0.862 0.005 2.01E-11 1.10E-11 . . . . . . . . . . . . . . . . . . 67 Leu N 18116 9 50 . 1 1 68 68 HIS N N 15 0.901 0.004 5.26E-11 1.20E-11 . . . . . . . . . . . . . . . . . . 68 His N 18116 9 51 . 1 1 70 70 VAL N N 15 0.972 0.011 2.85E-10 1.97E-11 . . . . . . . . . . . . . . . . . . 70 Val N 18116 9 52 . 1 1 71 71 LEU N N 15 0.871 0.010 4.98E-10 3.94E-11 . . . . . . . . . . . . . . . . . . 71 Leu N 18116 9 stop_ save_ save_order_parameter_list_10 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_10 _Order_parameter_list.Entry_ID 18116 _Order_parameter_list.ID 10 _Order_parameter_list.Name . _Order_parameter_list.Sample_condition_list_ID 5 _Order_parameter_list.Sample_condition_list_label $sample_conditions_5 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 10 '2H relaxation' . . . 18116 10 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 3 3 ILE CG2 C 13 0.778 0.047 3.76E-11 4.50E-13 . . . . . . . . . . . . . . . . . . 3 ILE CG2 18116 10 2 . 1 1 3 3 ILE CD1 C 13 0.705 0.040 7.60E-12 2.09E-12 . . . . . . . . . . . . . . . . . . 3 ILE CD1 18116 10 3 . 1 1 5 5 VAL CG1 C 13 0.742 0.002 3.01E-11 1.98E-12 . . . . . . . . . . . . . . . . . . 5 VAL CG1 18116 10 4 . 1 1 5 5 VAL CG2 C 13 0.725 0.004 2.01E-11 1.37E-12 . . . . . . . . . . . . . . . . . . 5 VAL CG2 18116 10 5 . 1 1 7 7 THR CG2 C 13 0.786 0.005 3.76E-11 4.96E-13 . . . . . . . . . . . . . . . . . . 7 THR CG2 18116 10 6 . 1 1 8 8 LEU CD1 C 13 0.285 0.037 4.51E-11 2.01E-12 . . . . . . . . . . . . . . . . . . 8 LEU CD1 18116 10 7 . 1 1 9 9 THR CG2 C 13 0.590 0.015 3.01E-11 5.89E-13 . . . . . . . . . . . . . . . . . . 9 THR CG2 18116 10 8 . 1 1 13 13 ILE CG2 C 13 0.572 0.010 3.26E-11 4.78E-13 . . . . . . . . . . . . . . . . . . 13 ILE CG2 18116 10 9 . 1 1 13 13 ILE CD1 C 13 0.512 0.005 2.01E-11 8.59E-13 . . . . . . . . . . . . . . . . . . 13 ILE CD1 18116 10 10 . 1 1 14 14 THR CG2 C 13 0.580 0.010 4.76E-11 2.04E-12 . . . . . . . . . . . . . . . . . . 14 THR CG2 18116 10 11 . 1 1 15 15 LEU CD1 C 13 0.415 0.023 3.76E-11 1.47E-12 . . . . . . . . . . . . . . . . . . 15 LEU CD1 18116 10 12 . 1 1 15 15 LEU CD2 C 13 0.421 0.024 3.01E-11 1.20E-12 . . . . . . . . . . . . . . . . . . 15 LEU CD2 18116 10 13 . 1 1 17 17 VAL CG1 C 13 0.754 0.027 3.76E-11 4.89E-13 . . . . . . . . . . . . . . . . . . 17 VAL CG1 18116 10 14 . 1 1 17 17 VAL CG2 C 13 0.740 0.026 6.76E-11 3.04E-12 . . . . . . . . . . . . . . . . . . 17 VAL CG2 18116 10 15 . 1 1 22 22 THR CG2 C 13 0.847 0.006 2.76E-11 5.53E-13 . . . . . . . . . . . . . . . . . . 22 THR CG2 18116 10 16 . 1 1 23 23 ILE CG2 C 13 0.726 0.006 2.51E-11 4.03E-13 . . . . . . . . . . . . . . . . . . 23 ILE CG2 18116 10 17 . 1 1 23 23 ILE CD1 C 13 0.505 0.020 2.51E-11 3.40E-12 . . . . . . . . . . . . . . . . . . 23 ILE CD1 18116 10 18 . 1 1 26 26 VAL CG1 C 13 0.748 0.020 3.51E-11 8.29E-13 . . . . . . . . . . . . . . . . . . 26 VAL CG1 18116 10 19 . 1 1 30 30 ILE CG2 C 13 0.837 0.007 2.26E-11 1.01E-12 . . . . . . . . . . . . . . . . . . 30 ILE CG2 18116 10 20 . 1 1 30 30 ILE CD1 C 13 0.719 0.003 1.26E-11 1.52E-12 . . . . . . . . . . . . . . . . . . 30 ILE CD1 18116 10 21 . 1 1 36 36 ILE CG2 C 13 0.719 0.009 6.26E-11 3.25E-12 . . . . . . . . . . . . . . . . . . 36 ILE CG2 18116 10 22 . 1 1 36 36 ILE CD1 C 13 0.491 0.020 2.01E-11 6.67E-13 . . . . . . . . . . . . . . . . . . 36 ILE CD1 18116 10 23 . 1 1 43 43 LEU CD1 C 13 0.540 0.005 5.26E-11 2.67E-12 . . . . . . . . . . . . . . . . . . 43 LEU CD1 18116 10 24 . 1 1 43 43 LEU CD2 C 13 0.461 0.023 3.51E-11 2.19E-12 . . . . . . . . . . . . . . . . . . 43 LEU CD2 18116 10 25 . 1 1 44 44 ILE CG2 C 13 0.641 0.016 3.76E-11 4.67E-13 . . . . . . . . . . . . . . . . . . 44 ILE CG2 18116 10 26 . 1 1 44 44 ILE CD1 C 13 0.231 0.030 2.26E-11 2.04E-12 . . . . . . . . . . . . . . . . . . 44 ILE CD1 18116 10 27 . 1 1 46 46 ALA CB C 13 0.760 0.043 1.76E-11 9.51E-13 . . . . . . . . . . . . . . . . . . 46 ALA CB 18116 10 28 . 1 1 50 50 LEU CD1 C 13 0.721 0.007 2.76E-11 9.13E-13 . . . . . . . . . . . . . . . . . . 50 LEU CD1 18116 10 29 . 1 1 50 50 LEU CD2 C 13 0.667 0.008 1.76E-11 6.44E-13 . . . . . . . . . . . . . . . . . . 50 LEU CD2 18116 10 30 . 1 1 56 56 LEU CD1 C 13 0.524 0.017 5.76E-11 3.64E-12 . . . . . . . . . . . . . . . . . . 56 LEU CD1 18116 10 31 . 1 1 56 56 LEU CD2 C 13 0.552 0.023 2.26E-11 8.81E-13 . . . . . . . . . . . . . . . . . . 56 LEU CD2 18116 10 32 . 1 1 61 61 ILE CG2 C 13 0.736 0.016 2.26E-11 4.78E-13 . . . . . . . . . . . . . . . . . . 61 ILE CG2 18116 10 33 . 1 1 61 61 ILE CD1 C 13 0.612 0.009 2.01E-11 3.13E-12 . . . . . . . . . . . . . . . . . . 61 ILE CD1 18116 10 34 . 1 1 67 67 LEU CD1 C 13 0.286 0.037 5.51E-11 2.66E-12 . . . . . . . . . . . . . . . . . . 67 LEU CD1 18116 10 35 . 1 1 67 67 LEU CD2 C 13 0.302 0.041 4.51E-11 1.13E-12 . . . . . . . . . . . . . . . . . . 67 LEU CD2 18116 10 36 . 1 1 69 69 LEU CD2 C 13 0.495 0.016 5.01E-11 5.72E-13 . . . . . . . . . . . . . . . . . . 69 LEU CD2 18116 10 37 . 1 1 70 70 VAL CG2 C 13 0.411 0.008 7.51E-11 2.10E-12 . . . . . . . . . . . . . . . . . . 70 VAL CG2 18116 10 38 . 1 1 71 71 LEU CD1 C 13 0.265 0.015 4.26E-11 1.97E-12 . . . . . . . . . . . . . . . . . . 71 LEU CD1 18116 10 39 . 1 1 73 73 LEU CD1 C 13 0.124 0.031 3.76E-11 3.85E-13 . . . . . . . . . . . . . . . . . . 73 LEU CD1 18116 10 40 . 1 1 73 73 LEU CD2 C 13 0.140 0.026 3.51E-11 5.26E-13 . . . . . . . . . . . . . . . . . . 73 LEU CD2 18116 10 stop_ save_ save_order_parameter_list_11 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_11 _Order_parameter_list.Entry_ID 18116 _Order_parameter_list.ID 11 _Order_parameter_list.Name . _Order_parameter_list.Sample_condition_list_ID 6 _Order_parameter_list.Sample_condition_list_label $sample_conditions_6 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 11 '15N relaxation' . . . 18116 11 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 2 2 GLN N N 15 0.857 0.006 4.76E-11 6.59E-12 . . . . . . . . . . . . . . . . . . 2 Gln N 18116 11 2 . 1 1 3 3 ILE N N 15 0.928 0.006 1.00E-13 5.46E-12 . . . . . . . . . . . . . . . . . . 3 Ile N 18116 11 3 . 1 1 4 4 PHE N N 15 0.931 0.006 1.00E-13 6.65E-12 . . . . . . . . . . . . . . . . . . 4 Phe N 18116 11 4 . 1 1 5 5 VAL N N 15 0.843 0.007 5.10E-12 3.07E-12 . . . . . . . . . . . . . . . . . . 5 Val N 18116 11 5 . 1 1 6 6 LYS N N 15 0.928 0.010 1.00E-13 6.55E-12 . . . . . . . . . . . . . . . . . . 6 Lys N 18116 11 6 . 1 1 8 8 LEU N N 15 0.832 0.005 2.51E-11 2.62E-12 . . . . . . . . . . . . . . . . . . 8 Leu N 18116 11 7 . 1 1 9 9 THR N N 15 0.753 0.007 5.26E-11 2.38E-12 . . . . . . . . . . . . . . . . . . 9 Thr N 18116 11 8 . 1 1 10 10 GLY N N 15 0.761 0.006 3.76E-11 1.70E-12 . . . . . . . . . . . . . . . . . . 10 Gly N 18116 11 9 . 1 1 11 11 LYS N N 15 0.712 0.016 6.51E-11 1.41E-11 . . . . . . . . . . . . . . . . . . 11 Lys N 18116 11 10 . 1 1 13 13 ILE N N 15 0.887 0.004 1.76E-11 4.49E-12 . . . . . . . . . . . . . . . . . . 13 Ile N 18116 11 11 . 1 1 18 18 GLU N N 15 0.868 0.004 2.51E-11 1.95E-12 . . . . . . . . . . . . . . . . . . 18 Glu N 18116 11 12 . 1 1 20 20 SER N N 15 0.851 0.005 1.76E-11 4.86E-12 . . . . . . . . . . . . . . . . . . 20 Ser N 18116 11 13 . 1 1 21 21 ASP N N 15 0.933 0.006 5.10E-12 1.06E-11 . . . . . . . . . . . . . . . . . . 21 Asp N 18116 11 14 . 1 1 22 22 THR N N 15 0.860 0.007 7.60E-12 1.13E-11 . . . . . . . . . . . . . . . . . . 22 Thr N 18116 11 15 . 1 1 23 23 ILE N N 15 0.969 0.008 2.50E-10 2.13E-11 . . . . . . . . . . . . . . . . . . 23 Ile N 18116 11 16 . 1 1 27 27 LYS N N 15 0.942 0.004 2.08E-10 1.91E-11 . . . . . . . . . . . . . . . . . . 27 Lys N 18116 11 17 . 1 1 28 28 ALA N N 15 0.964 0.004 1.00E-13 2.24E-11 . . . . . . . . . . . . . . . . . . 28 Ala N 18116 11 18 . 1 1 29 29 LYS N N 15 0.917 0.004 1.00E-13 1.73E-11 . . . . . . . . . . . . . . . . . . 29 Lys N 18116 11 19 . 1 1 30 30 ILE N N 15 0.920 0.004 3.01E-11 1.18E-11 . . . . . . . . . . . . . . . . . . 30 Ile N 18116 11 20 . 1 1 32 32 ASP N N 15 0.931 0.003 2.26E-11 5.21E-12 . . . . . . . . . . . . . . . . . . 32 Asp N 18116 11 21 . 1 1 33 33 LYS N N 15 0.950 0.004 2.30E-10 1.97E-11 . . . . . . . . . . . . . . . . . . 33 Lys N 18116 11 22 . 1 1 34 34 GLU N N 15 0.884 0.006 3.01E-11 7.53E-12 . . . . . . . . . . . . . . . . . . 34 Glu N 18116 11 23 . 1 1 35 35 GLY N N 15 0.914 0.003 1.76E-11 2.72E-12 . . . . . . . . . . . . . . . . . . 35 Gly N 18116 11 24 . 1 1 36 36 ILE N N 15 0.794 0.010 2.01E-11 1.30E-12 . . . . . . . . . . . . . . . . . . 36 Ile N 18116 11 25 . 1 1 39 39 ASP N N 15 0.914 0.007 2.51E-11 3.44E-12 . . . . . . . . . . . . . . . . . . 39 Asp N 18116 11 26 . 1 1 40 40 GLN N N 15 0.898 0.003 3.76E-11 1.89E-12 . . . . . . . . . . . . . . . . . . 40 Gln N 18116 11 27 . 1 1 41 41 GLN N N 15 0.882 0.002 3.76E-11 1.81E-12 . . . . . . . . . . . . . . . . . . 41 Gln N 18116 11 28 . 1 1 44 44 ILE N N 15 0.865 0.003 1.51E-11 3.72E-12 . . . . . . . . . . . . . . . . . . 44 Ile N 18116 11 29 . 1 1 46 46 ALA N N 15 0.832 0.004 2.51E-11 4.36E-12 . . . . . . . . . . . . . . . . . . 46 Ala N 18116 11 30 . 1 1 47 47 GLY N N 15 0.841 0.003 3.26E-11 2.82E-12 . . . . . . . . . . . . . . . . . . 47 Gly N 18116 11 31 . 1 1 49 49 GLN N N 15 0.791 0.003 8.01E-11 3.39E-12 . . . . . . . . . . . . . . . . . . 49 Gln N 18116 11 32 . 1 1 50 50 LEU N N 15 0.832 0.004 5.10E-12 7.07E-12 . . . . . . . . . . . . . . . . . . 50 Leu N 18116 11 33 . 1 1 52 52 ASP N N 15 0.824 0.005 4.01E-11 2.02E-12 . . . . . . . . . . . . . . . . . . 52 Asp N 18116 11 34 . 1 1 54 54 ARG N N 15 0.879 0.004 1.01E-11 2.21E-12 . . . . . . . . . . . . . . . . . . 54 Arg N 18116 11 35 . 1 1 55 55 THR N N 15 0.898 0.002 1.51E-11 1.29E-12 . . . . . . . . . . . . . . . . . . 55 Thr N 18116 11 36 . 1 1 56 56 LEU N N 15 0.920 0.002 1.00E-13 2.86E-12 . . . . . . . . . . . . . . . . . . 56 Leu N 18116 11 37 . 1 1 57 57 SER N N 15 0.895 0.003 1.51E-11 1.31E-12 . . . . . . . . . . . . . . . . . . 57 Ser N 18116 11 38 . 1 1 58 58 ASP N N 15 0.895 0.002 1.00E-13 2.18E-12 . . . . . . . . . . . . . . . . . . 58 Asp N 18116 11 39 . 1 1 59 59 TYR N N 15 0.871 0.003 1.51E-11 1.75E-12 . . . . . . . . . . . . . . . . . . 59 Tyr N 18116 11 40 . 1 1 60 60 ASN N N 15 0.906 0.009 2.01E-11 2.47E-12 . . . . . . . . . . . . . . . . . . 60 Asn N 18116 11 41 . 1 1 61 61 ILE N N 15 0.890 0.005 1.26E-11 3.30E-12 . . . . . . . . . . . . . . . . . . 61 Ile N 18116 11 42 . 1 1 62 62 GLN N N 15 0.723 0.013 3.51E-11 1.80E-12 . . . . . . . . . . . . . . . . . . 62 Gln N 18116 11 43 . 1 1 63 63 LYS N N 15 0.873 0.007 5.10E-12 1.08E-11 . . . . . . . . . . . . . . . . . . 63 Lys N 18116 11 44 . 1 1 64 64 GLU N N 15 0.917 0.005 1.76E-11 3.27E-12 . . . . . . . . . . . . . . . . . . 64 Glu N 18116 11 45 . 1 1 65 65 SER N N 15 0.879 0.003 2.60E-12 3.32E-12 . . . . . . . . . . . . . . . . . . 65 Ser N 18116 11 46 . 1 1 67 67 LEU N N 15 0.882 0.004 3.26E-11 8.29E-12 . . . . . . . . . . . . . . . . . . 67 Leu N 18116 11 47 . 1 1 68 68 HIS N N 15 0.890 0.003 1.00E-13 5.33E-12 . . . . . . . . . . . . . . . . . . 68 His N 18116 11 48 . 1 1 70 70 VAL N N 15 0.961 0.010 2.68E-10 2.17E-11 . . . . . . . . . . . . . . . . . . 70 Val N 18116 11 49 . 1 1 71 71 LEU N N 15 0.843 0.009 7.01E-11 1.20E-11 . . . . . . . . . . . . . . . . . . 71 Leu N 18116 11 stop_ save_ save_order_parameter_list_12 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_12 _Order_parameter_list.Entry_ID 18116 _Order_parameter_list.ID 12 _Order_parameter_list.Name . _Order_parameter_list.Sample_condition_list_ID 6 _Order_parameter_list.Sample_condition_list_label $sample_conditions_6 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _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 12 '2H relaxation' . . . 18116 12 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 3 3 ILE CG2 C 13 0.810 0.053 3.76E-11 2.02E-13 . . . . . . . . . . . . . . . . . . 3 ILE CG2 18116 12 2 . 1 1 3 3 ILE CD1 C 13 0.717 0.047 7.60E-12 2.39E-12 . . . . . . . . . . . . . . . . . . 3 ILE CD1 18116 12 3 . 1 1 5 5 VAL CG1 C 13 0.778 0.004 3.01E-11 1.79E-12 . . . . . . . . . . . . . . . . . . 5 VAL CG1 18116 12 4 . 1 1 5 5 VAL CG2 C 13 0.726 0.007 2.01E-11 1.40E-12 . . . . . . . . . . . . . . . . . . 5 VAL CG2 18116 12 5 . 1 1 7 7 THR CG2 C 13 0.806 0.001 3.76E-11 5.92E-13 . . . . . . . . . . . . . . . . . . 7 THR CG2 18116 12 6 . 1 1 8 8 LEU CD1 C 13 0.358 0.030 4.51E-11 1.99E-12 . . . . . . . . . . . . . . . . . . 8 LEU CD1 18116 12 7 . 1 1 9 9 THR CG2 C 13 0.600 0.022 3.01E-11 6.45E-13 . . . . . . . . . . . . . . . . . . 9 THR CG2 18116 12 8 . 1 1 13 13 ILE CG2 C 13 0.617 0.034 3.26E-11 2.86E-12 . . . . . . . . . . . . . . . . . . 13 ILE CG2 18116 12 9 . 1 1 13 13 ILE CD1 C 13 0.520 0.018 1.76E-11 2.27E-12 . . . . . . . . . . . . . . . . . . 13 ILE CD1 18116 12 10 . 1 1 14 14 THR CG2 C 13 0.610 0.006 4.51E-11 2.18E-12 . . . . . . . . . . . . . . . . . . 14 THR CG2 18116 12 11 . 1 1 15 15 LEU CD1 C 13 0.388 0.019 3.76E-11 6.27E-13 . . . . . . . . . . . . . . . . . . 15 LEU CD1 18116 12 12 . 1 1 15 15 LEU CD2 C 13 0.427 0.017 3.01E-11 1.21E-12 . . . . . . . . . . . . . . . . . . 15 LEU CD2 18116 12 13 . 1 1 17 17 VAL CG1 C 13 0.782 0.032 3.51E-11 5.94E-13 . . . . . . . . . . . . . . . . . . 17 VAL CG1 18116 12 14 . 1 1 17 17 VAL CG2 C 13 0.732 0.026 7.01E-11 3.22E-12 . . . . . . . . . . . . . . . . . . 17 VAL CG2 18116 12 15 . 1 1 22 22 THR CG2 C 13 0.828 0.005 3.01E-11 6.06E-13 . . . . . . . . . . . . . . . . . . 22 THR CG2 18116 12 16 . 1 1 23 23 ILE CG2 C 13 0.740 0.005 2.51E-11 3.30E-13 . . . . . . . . . . . . . . . . . . 23 ILE CG2 18116 12 17 . 1 1 23 23 ILE CD1 C 13 0.526 0.019 2.51E-11 3.56E-12 . . . . . . . . . . . . . . . . . . 23 ILE CD1 18116 12 18 . 1 1 26 26 VAL CG1 C 13 0.721 0.015 3.51E-11 8.58E-13 . . . . . . . . . . . . . . . . . . 26 VAL CG1 18116 12 19 . 1 1 30 30 ILE CG2 C 13 0.814 0.008 2.26E-11 9.59E-13 . . . . . . . . . . . . . . . . . . 30 ILE CG2 18116 12 20 . 1 1 30 30 ILE CD1 C 13 0.695 0.005 1.51E-11 8.08E-13 . . . . . . . . . . . . . . . . . . 30 ILE CD1 18116 12 21 . 1 1 36 36 ILE CG2 C 13 0.748 0.006 6.01E-11 3.12E-12 . . . . . . . . . . . . . . . . . . 36 ILE CG2 18116 12 22 . 1 1 36 36 ILE CD1 C 13 0.536 0.013 1.76E-11 3.15E-13 . . . . . . . . . . . . . . . . . . 36 ILE CD1 18116 12 23 . 1 1 43 43 LEU CD1 C 13 0.508 0.006 5.51E-11 2.99E-12 . . . . . . . . . . . . . . . . . . 43 LEU CD1 18116 12 24 . 1 1 43 43 LEU CD2 C 13 0.459 0.022 4.01E-11 1.67E-12 . . . . . . . . . . . . . . . . . . 43 LEU CD2 18116 12 25 . 1 1 44 44 ILE CG2 C 13 0.631 0.016 4.01E-11 3.83E-13 . . . . . . . . . . . . . . . . . . 44 ILE CG2 18116 12 26 . 1 1 44 44 ILE CD1 C 13 0.263 0.021 2.26E-11 2.52E-12 . . . . . . . . . . . . . . . . . . 44 ILE CD1 18116 12 27 . 1 1 46 46 ALA CB C 13 0.766 0.042 2.01E-11 1.65E-12 . . . . . . . . . . . . . . . . . . 46 ALA CB 18116 12 28 . 1 1 50 50 LEU CD1 C 13 0.608 0.007 3.01E-11 9.40E-13 . . . . . . . . . . . . . . . . . . 50 LEU CD1 18116 12 29 . 1 1 50 50 LEU CD2 C 13 0.673 0.033 1.76E-11 3.68E-12 . . . . . . . . . . . . . . . . . . 50 LEU CD2 18116 12 30 . 1 1 56 56 LEU CD1 C 13 0.590 0.006 5.76E-11 2.48E-12 . . . . . . . . . . . . . . . . . . 56 LEU CD1 18116 12 31 . 1 1 56 56 LEU CD2 C 13 0.554 0.009 2.01E-11 2.80E-13 . . . . . . . . . . . . . . . . . . 56 LEU CD2 18116 12 32 . 1 1 61 61 ILE CG2 C 13 0.774 0.018 2.01E-11 5.10E-13 . . . . . . . . . . . . . . . . . . 61 ILE CG2 18116 12 33 . 1 1 61 61 ILE CD1 C 13 0.667 0.010 2.01E-11 3.11E-12 . . . . . . . . . . . . . . . . . . 61 ILE CD1 18116 12 34 . 1 1 67 67 LEU CD1 C 13 0.336 0.033 5.76E-11 2.96E-12 . . . . . . . . . . . . . . . . . . 67 LEU CD1 18116 12 35 . 1 1 67 67 LEU CD2 C 13 0.324 0.041 4.76E-11 1.41E-12 . . . . . . . . . . . . . . . . . . 67 LEU CD2 18116 12 36 . 1 1 69 69 LEU CD2 C 13 0.560 0.019 5.76E-11 8.73E-13 . . . . . . . . . . . . . . . . . . 69 LEU CD2 18116 12 37 . 1 1 70 70 VAL CG2 C 13 0.455 0.008 8.26E-11 2.16E-12 . . . . . . . . . . . . . . . . . . 70 VAL CG2 18116 12 38 . 1 1 71 71 LEU CD1 C 13 0.285 0.019 4.51E-11 2.04E-12 . . . . . . . . . . . . . . . . . . 71 LEU CD1 18116 12 39 . 1 1 73 73 LEU CD1 C 13 0.128 0.012 3.76E-11 4.91E-13 . . . . . . . . . . . . . . . . . . 73 LEU CD1 18116 12 40 . 1 1 73 73 LEU CD2 C 13 0.150 0.035 3.51E-11 6.07E-13 . . . . . . . . . . . . . . . . . . 73 LEU CD2 18116 12 stop_ save_