data_51223 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51223 _Entry.Title ; 1H15N HSQC chemical shifts and Relaxation Parameters for Y99C MIF Homotrimers ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-07 _Entry.Accession_date 2021-12-07 _Entry.Last_release_date 2021-12-07 _Entry.Original_release_date 2021-12-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Erin Skeens . . . 0000-0002-0580-1291 51223 2 George Lisi . P. . 0000-0001-8878-5655 51223 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51223 heteronucl_NOEs 1 51223 heteronucl_T1_relaxation 1 51223 heteronucl_T2_relaxation 1 51223 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 94 51223 '1H chemical shifts' 94 51223 'T1 relaxation values' 83 51223 'T2 relaxation values' 81 51223 'heteronuclear NOE values' 82 51223 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 . . 2022-03-09 . original BMRB . 51223 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51224 'Y99C MIF Mixed Trimers' 51223 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51223 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35252348 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A Cysteine Variant at an Allosteric Site Alters MIF Dynamics and Biological Function in Homo- and Heterotrimeric Assemblies ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Biosci.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2296-889X _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 783669 _Citation.Page_last 783669 _Citation.Year 2022 _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 Erin Skeens . . . . 51223 1 2 Georgios Pantouris . . . . 51223 1 3 Dilip Shah . . . . 51223 1 4 Ramu Manjula . . . . 51223 1 5 Michael Ombrello . J. . . 51223 1 6 N. Maluf . K. . . 51223 1 7 Vineet Bhandari . . . . 51223 1 8 George Lisi . P. . . 51223 1 9 Elias Lolis . J. . . 51223 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51223 _Assembly.ID 1 _Assembly.Name 'Y99C MIF homotrimers' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Y99C MIF chain 1' 1 $entity_1 . . yes native no no . . . 51223 1 2 'Y99C MIF chain 2' 1 $entity_1 . . no native no no . . . 51223 1 3 'Y99C MIF chain 3' 1 $entity_1 . . no native no no . . . 51223 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51223 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PMFIVNTNVPRASVPDGFLS ELTQQLAQATGKPPQYIAVH VVPDQLMAFGGSSEPCALCS LHSIGKIGGAQNRSYSKLLC GLLAERLRISPDRVYINYCD MNAANVGWNNSTFA ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . PRO . 51223 1 2 . MET . 51223 1 3 . PHE . 51223 1 4 . ILE . 51223 1 5 . VAL . 51223 1 6 . ASN . 51223 1 7 . THR . 51223 1 8 . ASN . 51223 1 9 . VAL . 51223 1 10 . PRO . 51223 1 11 . ARG . 51223 1 12 . ALA . 51223 1 13 . SER . 51223 1 14 . VAL . 51223 1 15 . PRO . 51223 1 16 . ASP . 51223 1 17 . GLY . 51223 1 18 . PHE . 51223 1 19 . LEU . 51223 1 20 . SER . 51223 1 21 . GLU . 51223 1 22 . LEU . 51223 1 23 . THR . 51223 1 24 . GLN . 51223 1 25 . GLN . 51223 1 26 . LEU . 51223 1 27 . ALA . 51223 1 28 . GLN . 51223 1 29 . ALA . 51223 1 30 . THR . 51223 1 31 . GLY . 51223 1 32 . LYS . 51223 1 33 . PRO . 51223 1 34 . PRO . 51223 1 35 . GLN . 51223 1 36 . TYR . 51223 1 37 . ILE . 51223 1 38 . ALA . 51223 1 39 . VAL . 51223 1 40 . HIS . 51223 1 41 . VAL . 51223 1 42 . VAL . 51223 1 43 . PRO . 51223 1 44 . ASP . 51223 1 45 . GLN . 51223 1 46 . LEU . 51223 1 47 . MET . 51223 1 48 . ALA . 51223 1 49 . PHE . 51223 1 50 . GLY . 51223 1 51 . GLY . 51223 1 52 . SER . 51223 1 53 . SER . 51223 1 54 . GLU . 51223 1 55 . PRO . 51223 1 56 . CYS . 51223 1 57 . ALA . 51223 1 58 . LEU . 51223 1 59 . CYS . 51223 1 60 . SER . 51223 1 61 . LEU . 51223 1 62 . HIS . 51223 1 63 . SER . 51223 1 64 . ILE . 51223 1 65 . GLY . 51223 1 66 . LYS . 51223 1 67 . ILE . 51223 1 68 . GLY . 51223 1 69 . GLY . 51223 1 70 . ALA . 51223 1 71 . GLN . 51223 1 72 . ASN . 51223 1 73 . ARG . 51223 1 74 . SER . 51223 1 75 . TYR . 51223 1 76 . SER . 51223 1 77 . LYS . 51223 1 78 . LEU . 51223 1 79 . LEU . 51223 1 80 . CYS . 51223 1 81 . GLY . 51223 1 82 . LEU . 51223 1 83 . LEU . 51223 1 84 . ALA . 51223 1 85 . GLU . 51223 1 86 . ARG . 51223 1 87 . LEU . 51223 1 88 . ARG . 51223 1 89 . ILE . 51223 1 90 . SER . 51223 1 91 . PRO . 51223 1 92 . ASP . 51223 1 93 . ARG . 51223 1 94 . VAL . 51223 1 95 . TYR . 51223 1 96 . ILE . 51223 1 97 . ASN . 51223 1 98 . TYR . 51223 1 99 . CYS . 51223 1 100 . ASP . 51223 1 101 . MET . 51223 1 102 . ASN . 51223 1 103 . ALA . 51223 1 104 . ALA . 51223 1 105 . ASN . 51223 1 106 . VAL . 51223 1 107 . GLY . 51223 1 108 . TRP . 51223 1 109 . ASN . 51223 1 110 . ASN . 51223 1 111 . SER . 51223 1 112 . THR . 51223 1 113 . PHE . 51223 1 114 . ALA . 51223 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 . PRO 1 1 51223 1 . MET 2 2 51223 1 . PHE 3 3 51223 1 . ILE 4 4 51223 1 . VAL 5 5 51223 1 . ASN 6 6 51223 1 . THR 7 7 51223 1 . ASN 8 8 51223 1 . VAL 9 9 51223 1 . PRO 10 10 51223 1 . ARG 11 11 51223 1 . ALA 12 12 51223 1 . SER 13 13 51223 1 . VAL 14 14 51223 1 . PRO 15 15 51223 1 . ASP 16 16 51223 1 . GLY 17 17 51223 1 . PHE 18 18 51223 1 . LEU 19 19 51223 1 . SER 20 20 51223 1 . GLU 21 21 51223 1 . LEU 22 22 51223 1 . THR 23 23 51223 1 . GLN 24 24 51223 1 . GLN 25 25 51223 1 . LEU 26 26 51223 1 . ALA 27 27 51223 1 . GLN 28 28 51223 1 . ALA 29 29 51223 1 . THR 30 30 51223 1 . GLY 31 31 51223 1 . LYS 32 32 51223 1 . PRO 33 33 51223 1 . PRO 34 34 51223 1 . GLN 35 35 51223 1 . TYR 36 36 51223 1 . ILE 37 37 51223 1 . ALA 38 38 51223 1 . VAL 39 39 51223 1 . HIS 40 40 51223 1 . VAL 41 41 51223 1 . VAL 42 42 51223 1 . PRO 43 43 51223 1 . ASP 44 44 51223 1 . GLN 45 45 51223 1 . LEU 46 46 51223 1 . MET 47 47 51223 1 . ALA 48 48 51223 1 . PHE 49 49 51223 1 . GLY 50 50 51223 1 . GLY 51 51 51223 1 . SER 52 52 51223 1 . SER 53 53 51223 1 . GLU 54 54 51223 1 . PRO 55 55 51223 1 . CYS 56 56 51223 1 . ALA 57 57 51223 1 . LEU 58 58 51223 1 . CYS 59 59 51223 1 . SER 60 60 51223 1 . LEU 61 61 51223 1 . HIS 62 62 51223 1 . SER 63 63 51223 1 . ILE 64 64 51223 1 . GLY 65 65 51223 1 . LYS 66 66 51223 1 . ILE 67 67 51223 1 . GLY 68 68 51223 1 . GLY 69 69 51223 1 . ALA 70 70 51223 1 . GLN 71 71 51223 1 . ASN 72 72 51223 1 . ARG 73 73 51223 1 . SER 74 74 51223 1 . TYR 75 75 51223 1 . SER 76 76 51223 1 . LYS 77 77 51223 1 . LEU 78 78 51223 1 . LEU 79 79 51223 1 . CYS 80 80 51223 1 . GLY 81 81 51223 1 . LEU 82 82 51223 1 . LEU 83 83 51223 1 . ALA 84 84 51223 1 . GLU 85 85 51223 1 . ARG 86 86 51223 1 . LEU 87 87 51223 1 . ARG 88 88 51223 1 . ILE 89 89 51223 1 . SER 90 90 51223 1 . PRO 91 91 51223 1 . ASP 92 92 51223 1 . ARG 93 93 51223 1 . VAL 94 94 51223 1 . TYR 95 95 51223 1 . ILE 96 96 51223 1 . ASN 97 97 51223 1 . TYR 98 98 51223 1 . CYS 99 99 51223 1 . ASP 100 100 51223 1 . MET 101 101 51223 1 . ASN 102 102 51223 1 . ALA 103 103 51223 1 . ALA 104 104 51223 1 . ASN 105 105 51223 1 . VAL 106 106 51223 1 . GLY 107 107 51223 1 . TRP 108 108 51223 1 . ASN 109 109 51223 1 . ASN 110 110 51223 1 . SER 111 111 51223 1 . THR 112 112 51223 1 . PHE 113 113 51223 1 . ALA 114 114 51223 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51223 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51223 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51223 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET24a . . . 51223 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51223 _Sample.ID 1 _Sample.Name 'Y99C MIF Homotrimer' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Y99C MIF trimers' '[U-99% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 51223 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51223 1 3 EDTA 'natural abundance' . . . . . . 1.0 . . mM . . . . 51223 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51223 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 51223 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Y99C MIF' _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' 20.0 . mM 51223 1 pH 7.0 . pH 51223 1 pressure 1 . atm 51223 1 temperature 303 . K 51223 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51223 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51223 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51223 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51223 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51223 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51223 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51223 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance NEO 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51223 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51223 1 2 'T1/R1 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51223 1 3 'T2/R2 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51223 1 4 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51223 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51223 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1 . . . . . 51223 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51223 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51223 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Y99C MIF Homotrimer' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51223 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51223 1 2 $software_2 . . 51223 1 3 $software_3 . . 51223 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 MET H H 1 8.77 . . . . . . . . 2 M H . 51223 1 2 . 1 . 1 2 2 MET N N 15 119.166 . . . . . . . . 2 M N . 51223 1 3 . 1 . 1 3 3 PHE H H 1 8.885 . . . . . . . . 3 F H . 51223 1 4 . 1 . 1 3 3 PHE N N 15 127.441 . . . . . . . . 3 F N . 51223 1 5 . 1 . 1 4 4 ILE H H 1 8.284 . . . . . . . . 4 I H . 51223 1 6 . 1 . 1 4 4 ILE N N 15 129.134 . . . . . . . . 4 I N . 51223 1 7 . 1 . 1 5 5 VAL H H 1 8.298 . . . . . . . . 5 V H . 51223 1 8 . 1 . 1 5 5 VAL N N 15 123.412 . . . . . . . . 5 V N . 51223 1 9 . 1 . 1 6 6 ASN H H 1 8.293 . . . . . . . . 6 N H . 51223 1 10 . 1 . 1 6 6 ASN N N 15 127.22 . . . . . . . . 6 N N . 51223 1 11 . 1 . 1 7 7 THR H H 1 9.086 . . . . . . . . 7 T H . 51223 1 12 . 1 . 1 7 7 THR N N 15 118.09 . . . . . . . . 7 T N . 51223 1 13 . 1 . 1 11 11 ARG H H 1 9.042 . . . . . . . . 11 R H . 51223 1 14 . 1 . 1 11 11 ARG N N 15 124.905 . . . . . . . . 11 R N . 51223 1 15 . 1 . 1 12 12 ALA H H 1 8.642 . . . . . . . . 12 A H . 51223 1 16 . 1 . 1 12 12 ALA N N 15 119.385 . . . . . . . . 12 A N . 51223 1 17 . 1 . 1 13 13 SER H H 1 7.852 . . . . . . . . 13 S H . 51223 1 18 . 1 . 1 13 13 SER N N 15 113.452 . . . . . . . . 13 S N . 51223 1 19 . 1 . 1 14 14 VAL H H 1 7.495 . . . . . . . . 14 V H . 51223 1 20 . 1 . 1 14 14 VAL N N 15 124.513 . . . . . . . . 14 V N . 51223 1 21 . 1 . 1 16 16 ASP H H 1 8.742 . . . . . . . . 16 D H . 51223 1 22 . 1 . 1 16 16 ASP N N 15 124.525 . . . . . . . . 16 D N . 51223 1 23 . 1 . 1 18 18 PHE H H 1 7.807 . . . . . . . . 18 F H . 51223 1 24 . 1 . 1 18 18 PHE N N 15 122.503 . . . . . . . . 18 F N . 51223 1 25 . 1 . 1 19 19 LEU H H 1 8.289 . . . . . . . . 19 L H . 51223 1 26 . 1 . 1 19 19 LEU N N 15 116.806 . . . . . . . . 19 L N . 51223 1 27 . 1 . 1 20 20 SER H H 1 7.915 . . . . . . . . 20 S H . 51223 1 28 . 1 . 1 20 20 SER N N 15 118.85 . . . . . . . . 20 S N . 51223 1 29 . 1 . 1 21 21 GLU H H 1 8.128 . . . . . . . . 21 E H . 51223 1 30 . 1 . 1 21 21 GLU N N 15 125.174 . . . . . . . . 21 E N . 51223 1 31 . 1 . 1 22 22 LEU H H 1 8.234 . . . . . . . . 22 L H . 51223 1 32 . 1 . 1 22 22 LEU N N 15 118.505 . . . . . . . . 22 L N . 51223 1 33 . 1 . 1 23 23 THR H H 1 7.386 . . . . . . . . 23 T H . 51223 1 34 . 1 . 1 23 23 THR N N 15 115.193 . . . . . . . . 23 T N . 51223 1 35 . 1 . 1 24 24 GLN H H 1 7.767 . . . . . . . . 24 Q H . 51223 1 36 . 1 . 1 24 24 GLN N N 15 120.118 . . . . . . . . 24 Q N . 51223 1 37 . 1 . 1 25 25 GLN H H 1 8.5 . . . . . . . . 25 Q H . 51223 1 38 . 1 . 1 25 25 GLN N N 15 118.6 . . . . . . . . 25 Q N . 51223 1 39 . 1 . 1 26 26 LEU H H 1 8.355 . . . . . . . . 26 L H . 51223 1 40 . 1 . 1 26 26 LEU N N 15 119.864 . . . . . . . . 26 L N . 51223 1 41 . 1 . 1 27 27 ALA H H 1 8.188 . . . . . . . . 27 A H . 51223 1 42 . 1 . 1 27 27 ALA N N 15 127.999 . . . . . . . . 27 A N . 51223 1 43 . 1 . 1 28 28 GLN H H 1 7.478 . . . . . . . . 28 Q H . 51223 1 44 . 1 . 1 28 28 GLN N N 15 117.186 . . . . . . . . 28 Q N . 51223 1 45 . 1 . 1 29 29 ALA H H 1 7.937 . . . . . . . . 29 A H . 51223 1 46 . 1 . 1 29 29 ALA N N 15 119.987 . . . . . . . . 29 A N . 51223 1 47 . 1 . 1 30 30 THR H H 1 7.956 . . . . . . . . 30 T H . 51223 1 48 . 1 . 1 30 30 THR N N 15 104.978 . . . . . . . . 30 T N . 51223 1 49 . 1 . 1 31 31 GLY H H 1 7.609 . . . . . . . . 31 G H . 51223 1 50 . 1 . 1 31 31 GLY N N 15 110.891 . . . . . . . . 31 G N . 51223 1 51 . 1 . 1 32 32 LYS H H 1 7.604 . . . . . . . . 32 K H . 51223 1 52 . 1 . 1 32 32 LYS N N 15 122.243 . . . . . . . . 32 K N . 51223 1 53 . 1 . 1 35 35 GLN H H 1 8.391 . . . . . . . . 35 Q H . 51223 1 54 . 1 . 1 35 35 GLN N N 15 114.816 . . . . . . . . 35 Q N . 51223 1 55 . 1 . 1 36 36 TYR H H 1 7.373 . . . . . . . . 36 Y H . 51223 1 56 . 1 . 1 36 36 TYR N N 15 114.587 . . . . . . . . 36 Y N . 51223 1 57 . 1 . 1 37 37 ILE H H 1 7.627 . . . . . . . . 37 I H . 51223 1 58 . 1 . 1 37 37 ILE N N 15 122.423 . . . . . . . . 37 I N . 51223 1 59 . 1 . 1 38 38 ALA H H 1 9.064 . . . . . . . . 38 A H . 51223 1 60 . 1 . 1 38 38 ALA N N 15 135.555 . . . . . . . . 38 A N . 51223 1 61 . 1 . 1 39 39 VAL H H 1 8.686 . . . . . . . . 39 V H . 51223 1 62 . 1 . 1 39 39 VAL N N 15 117.74 . . . . . . . . 39 V N . 51223 1 63 . 1 . 1 40 40 HIS H H 1 8.601 . . . . . . . . 40 H H . 51223 1 64 . 1 . 1 40 40 HIS N N 15 127.511 . . . . . . . . 40 H N . 51223 1 65 . 1 . 1 41 41 VAL H H 1 8.666 . . . . . . . . 41 V H . 51223 1 66 . 1 . 1 41 41 VAL N N 15 127.07 . . . . . . . . 41 V N . 51223 1 67 . 1 . 1 42 42 VAL H H 1 9.208 . . . . . . . . 42 V H . 51223 1 68 . 1 . 1 42 42 VAL N N 15 130.162 . . . . . . . . 42 V N . 51223 1 69 . 1 . 1 44 44 ASP H H 1 8.641 . . . . . . . . 44 D H . 51223 1 70 . 1 . 1 44 44 ASP N N 15 113.244 . . . . . . . . 44 D N . 51223 1 71 . 1 . 1 45 45 GLN H H 1 8.608 . . . . . . . . 45 Q H . 51223 1 72 . 1 . 1 45 45 GLN N N 15 116.099 . . . . . . . . 45 Q N . 51223 1 73 . 1 . 1 47 47 MET H H 1 7.625 . . . . . . . . 47 M H . 51223 1 74 . 1 . 1 47 47 MET N N 15 123.242 . . . . . . . . 47 M N . 51223 1 75 . 1 . 1 48 48 ALA H H 1 8.905 . . . . . . . . 48 A H . 51223 1 76 . 1 . 1 48 48 ALA N N 15 122.779 . . . . . . . . 48 A N . 51223 1 77 . 1 . 1 49 49 PHE H H 1 8.313 . . . . . . . . 49 F H . 51223 1 78 . 1 . 1 49 49 PHE N N 15 122.53 . . . . . . . . 49 F N . 51223 1 79 . 1 . 1 50 50 GLY H H 1 8.998 . . . . . . . . 50 G H . 51223 1 80 . 1 . 1 50 50 GLY N N 15 120.91 . . . . . . . . 50 G N . 51223 1 81 . 1 . 1 51 51 GLY H H 1 9.565 . . . . . . . . 51 G H . 51223 1 82 . 1 . 1 51 51 GLY N N 15 107.383 . . . . . . . . 51 G N . 51223 1 83 . 1 . 1 52 52 SER H H 1 7.472 . . . . . . . . 52 S H . 51223 1 84 . 1 . 1 52 52 SER N N 15 115.013 . . . . . . . . 52 S N . 51223 1 85 . 1 . 1 54 54 GLU H H 1 7.591 . . . . . . . . 54 E H . 51223 1 86 . 1 . 1 54 54 GLU N N 15 120.787 . . . . . . . . 54 E N . 51223 1 87 . 1 . 1 56 56 CYS H H 1 9.476 . . . . . . . . 56 C H . 51223 1 88 . 1 . 1 56 56 CYS N N 15 123.118 . . . . . . . . 56 C N . 51223 1 89 . 1 . 1 57 57 ALA H H 1 8.812 . . . . . . . . 57 A H . 51223 1 90 . 1 . 1 57 57 ALA N N 15 120.707 . . . . . . . . 57 A N . 51223 1 91 . 1 . 1 58 58 LEU H H 1 8.589 . . . . . . . . 58 L H . 51223 1 92 . 1 . 1 58 58 LEU N N 15 120.139 . . . . . . . . 58 L N . 51223 1 93 . 1 . 1 59 59 CYS H H 1 9.062 . . . . . . . . 59 C H . 51223 1 94 . 1 . 1 59 59 CYS N N 15 122.569 . . . . . . . . 59 C N . 51223 1 95 . 1 . 1 62 62 HIS H H 1 9.069 . . . . . . . . 62 H H . 51223 1 96 . 1 . 1 62 62 HIS N N 15 125.63 . . . . . . . . 62 H N . 51223 1 97 . 1 . 1 63 63 SER H H 1 8.49 . . . . . . . . 63 S H . 51223 1 98 . 1 . 1 63 63 SER N N 15 115.988 . . . . . . . . 63 S N . 51223 1 99 . 1 . 1 64 64 ILE H H 1 7.859 . . . . . . . . 64 I H . 51223 1 100 . 1 . 1 64 64 ILE N N 15 128.825 . . . . . . . . 64 I N . 51223 1 101 . 1 . 1 65 65 GLY H H 1 7.917 . . . . . . . . 65 G H . 51223 1 102 . 1 . 1 65 65 GLY N N 15 119.343 . . . . . . . . 65 G N . 51223 1 103 . 1 . 1 66 66 LYS H H 1 8.274 . . . . . . . . 66 K H . 51223 1 104 . 1 . 1 66 66 LYS N N 15 111.088 . . . . . . . . 66 K N . 51223 1 105 . 1 . 1 67 67 ILE H H 1 7.36 . . . . . . . . 67 I H . 51223 1 106 . 1 . 1 67 67 ILE N N 15 118.601 . . . . . . . . 67 I N . 51223 1 107 . 1 . 1 68 68 GLY H H 1 7.632 . . . . . . . . 68 G H . 51223 1 108 . 1 . 1 68 68 GLY N N 15 115.094 . . . . . . . . 68 G N . 51223 1 109 . 1 . 1 72 72 ASN H H 1 7.948 . . . . . . . . 72 N H . 51223 1 110 . 1 . 1 72 72 ASN N N 15 118.143 . . . . . . . . 72 N N . 51223 1 111 . 1 . 1 73 73 ARG H H 1 7.449 . . . . . . . . 73 R H . 51223 1 112 . 1 . 1 73 73 ARG N N 15 122.365 . . . . . . . . 73 R N . 51223 1 113 . 1 . 1 74 74 SER H H 1 7.145 . . . . . . . . 74 S H . 51223 1 114 . 1 . 1 74 74 SER N N 15 116.626 . . . . . . . . 74 S N . 51223 1 115 . 1 . 1 75 75 TYR H H 1 8.516 . . . . . . . . 75 Y H . 51223 1 116 . 1 . 1 75 75 TYR N N 15 121.962 . . . . . . . . 75 Y N . 51223 1 117 . 1 . 1 76 76 SER H H 1 8.158 . . . . . . . . 76 S H . 51223 1 118 . 1 . 1 76 76 SER N N 15 116.901 . . . . . . . . 76 S N . 51223 1 119 . 1 . 1 77 77 LYS H H 1 7.504 . . . . . . . . 77 K H . 51223 1 120 . 1 . 1 77 77 LYS N N 15 124.852 . . . . . . . . 77 K N . 51223 1 121 . 1 . 1 78 78 LEU H H 1 7.434 . . . . . . . . 78 L H . 51223 1 122 . 1 . 1 78 78 LEU N N 15 120.919 . . . . . . . . 78 L N . 51223 1 123 . 1 . 1 79 79 LEU H H 1 8.964 . . . . . . . . 79 L H . 51223 1 124 . 1 . 1 79 79 LEU N N 15 118.875 . . . . . . . . 79 L N . 51223 1 125 . 1 . 1 80 80 CYS H H 1 8.613 . . . . . . . . 80 C H . 51223 1 126 . 1 . 1 80 80 CYS N N 15 116.575 . . . . . . . . 80 C N . 51223 1 127 . 1 . 1 81 81 GLY H H 1 7.602 . . . . . . . . 81 G H . 51223 1 128 . 1 . 1 81 81 GLY N N 15 108.557 . . . . . . . . 81 G N . 51223 1 129 . 1 . 1 82 82 LEU H H 1 7.756 . . . . . . . . 82 L H . 51223 1 130 . 1 . 1 82 82 LEU N N 15 123.697 . . . . . . . . 82 L N . 51223 1 131 . 1 . 1 83 83 LEU H H 1 8.292 . . . . . . . . 83 L H . 51223 1 132 . 1 . 1 83 83 LEU N N 15 119.578 . . . . . . . . 83 L N . 51223 1 133 . 1 . 1 84 84 ALA H H 1 8.098 . . . . . . . . 84 A H . 51223 1 134 . 1 . 1 84 84 ALA N N 15 123.442 . . . . . . . . 84 A N . 51223 1 135 . 1 . 1 85 85 GLU H H 1 8.121 . . . . . . . . 85 E H . 51223 1 136 . 1 . 1 85 85 GLU N N 15 118.258 . . . . . . . . 85 E N . 51223 1 137 . 1 . 1 86 86 ARG H H 1 8.422 . . . . . . . . 86 R H . 51223 1 138 . 1 . 1 86 86 ARG N N 15 112.428 . . . . . . . . 86 R N . 51223 1 139 . 1 . 1 87 87 LEU H H 1 6.983 . . . . . . . . 87 L H . 51223 1 140 . 1 . 1 87 87 LEU N N 15 114.472 . . . . . . . . 87 L N . 51223 1 141 . 1 . 1 88 88 ARG H H 1 6.941 . . . . . . . . 88 R H . 51223 1 142 . 1 . 1 88 88 ARG N N 15 113.892 . . . . . . . . 88 R N . 51223 1 143 . 1 . 1 89 89 ILE H H 1 6.854 . . . . . . . . 89 I H . 51223 1 144 . 1 . 1 89 89 ILE N N 15 120.019 . . . . . . . . 89 I N . 51223 1 145 . 1 . 1 90 90 SER H H 1 8.891 . . . . . . . . 90 S H . 51223 1 146 . 1 . 1 90 90 SER N N 15 125.122 . . . . . . . . 90 S N . 51223 1 147 . 1 . 1 92 92 ASP H H 1 7.222 . . . . . . . . 92 D H . 51223 1 148 . 1 . 1 92 92 ASP N N 15 112.244 . . . . . . . . 92 D N . 51223 1 149 . 1 . 1 93 93 ARG H H 1 8.072 . . . . . . . . 93 R H . 51223 1 150 . 1 . 1 93 93 ARG N N 15 124.642 . . . . . . . . 93 R N . 51223 1 151 . 1 . 1 95 95 TYR H H 1 7.798 . . . . . . . . 95 Y H . 51223 1 152 . 1 . 1 95 95 TYR N N 15 120.015 . . . . . . . . 95 Y N . 51223 1 153 . 1 . 1 96 96 ILE H H 1 8.884 . . . . . . . . 96 I H . 51223 1 154 . 1 . 1 96 96 ILE N N 15 120.453 . . . . . . . . 96 I N . 51223 1 155 . 1 . 1 97 97 ASN H H 1 8.328 . . . . . . . . 97 N H . 51223 1 156 . 1 . 1 97 97 ASN N N 15 126.399 . . . . . . . . 97 N N . 51223 1 157 . 1 . 1 98 98 TYR H H 1 8.46 . . . . . . . . 98 Y H . 51223 1 158 . 1 . 1 98 98 TYR N N 15 122.174 . . . . . . . . 98 Y N . 51223 1 159 . 1 . 1 100 100 ASP H H 1 8.647 . . . . . . . . 100 D H . 51223 1 160 . 1 . 1 100 100 ASP N N 15 125.945 . . . . . . . . 100 D N . 51223 1 161 . 1 . 1 101 101 MET H H 1 9.025 . . . . . . . . 101 M H . 51223 1 162 . 1 . 1 101 101 MET N N 15 127.184 . . . . . . . . 101 M N . 51223 1 163 . 1 . 1 102 102 ASN H H 1 8.72 . . . . . . . . 102 N H . 51223 1 164 . 1 . 1 102 102 ASN N N 15 123.149 . . . . . . . . 102 N N . 51223 1 165 . 1 . 1 103 103 ALA H H 1 9.029 . . . . . . . . 103 A H . 51223 1 166 . 1 . 1 103 103 ALA N N 15 130.877 . . . . . . . . 103 A N . 51223 1 167 . 1 . 1 104 104 ALA H H 1 8.24 . . . . . . . . 104 A H . 51223 1 168 . 1 . 1 104 104 ALA N N 15 115.808 . . . . . . . . 104 A N . 51223 1 169 . 1 . 1 105 105 ASN H H 1 8.226 . . . . . . . . 105 N H . 51223 1 170 . 1 . 1 105 105 ASN N N 15 115.133 . . . . . . . . 105 N N . 51223 1 171 . 1 . 1 106 106 VAL H H 1 7.304 . . . . . . . . 106 V H . 51223 1 172 . 1 . 1 106 106 VAL N N 15 120.575 . . . . . . . . 106 V N . 51223 1 173 . 1 . 1 107 107 GLY H H 1 10.437 . . . . . . . . 107 G H . 51223 1 174 . 1 . 1 107 107 GLY N N 15 114.505 . . . . . . . . 107 G N . 51223 1 175 . 1 . 1 108 108 TRP H H 1 8.446 . . . . . . . . 108 W H . 51223 1 176 . 1 . 1 108 108 TRP N N 15 123.095 . . . . . . . . 108 W N . 51223 1 177 . 1 . 1 109 109 ASN H H 1 7.095 . . . . . . . . 109 N H . 51223 1 178 . 1 . 1 109 109 ASN N N 15 127.638 . . . . . . . . 109 N N . 51223 1 179 . 1 . 1 110 110 ASN H H 1 7.137 . . . . . . . . 110 N H . 51223 1 180 . 1 . 1 110 110 ASN N N 15 105.836 . . . . . . . . 110 N N . 51223 1 181 . 1 . 1 111 111 SER H H 1 7.585 . . . . . . . . 111 S H . 51223 1 182 . 1 . 1 111 111 SER N N 15 115.024 . . . . . . . . 111 S N . 51223 1 183 . 1 . 1 112 112 THR H H 1 8.545 . . . . . . . . 112 T H . 51223 1 184 . 1 . 1 112 112 THR N N 15 112.238 . . . . . . . . 112 T N . 51223 1 185 . 1 . 1 113 113 PHE H H 1 8.037 . . . . . . . . 113 F H . 51223 1 186 . 1 . 1 113 113 PHE N N 15 119.157 . . . . . . . . 113 F N . 51223 1 187 . 1 . 1 114 114 ALA H H 1 7.278 . . . . . . . . 114 A H . 51223 1 188 . 1 . 1 114 114 ALA N N 15 127.696 . . . . . . . . 114 A N . 51223 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51223 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'Y99C MIF Homotrimer hetNOE' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 4 '1H-15N heteronoe' . . . 51223 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 51223 1 2 $software_2 . . 51223 1 3 $software_3 . . 51223 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 MET N N 15 . 1 1 2 2 MET H H 1 0.900774939 . . . . . . . . . . . 51223 1 2 . 1 1 3 3 PHE N N 15 . 1 1 3 3 PHE H H 1 0.839015577 . . . . . . . . . . . 51223 1 3 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.894236416 . . . . . . . . . . . 51223 1 4 . 1 1 11 11 ARG N N 15 . 1 1 11 11 ARG H H 1 0.874426152 . . . . . . . . . . . 51223 1 5 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 0.880663228 . . . . . . . . . . . 51223 1 6 . 1 1 13 13 SER N N 15 . 1 1 13 13 SER H H 1 0.856421058 . . . . . . . . . . . 51223 1 7 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.872870313 . . . . . . . . . . . 51223 1 8 . 1 1 16 16 ASP N N 15 . 1 1 16 16 ASP H H 1 0.823511118 . . . . . . . . . . . 51223 1 9 . 1 1 18 18 PHE N N 15 . 1 1 18 18 PHE H H 1 0.872805366 . . . . . . . . . . . 51223 1 10 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.878110496 . . . . . . . . . . . 51223 1 11 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.866408668 . . . . . . . . . . . 51223 1 12 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.870839657 . . . . . . . . . . . 51223 1 13 . 1 1 22 22 LEU N N 15 . 1 1 22 22 LEU H H 1 0.882841006 . . . . . . . . . . . 51223 1 14 . 1 1 23 23 THR N N 15 . 1 1 23 23 THR H H 1 0.869584044 . . . . . . . . . . . 51223 1 15 . 1 1 25 25 GLN N N 15 . 1 1 25 25 GLN H H 1 0.870280699 . . . . . . . . . . . 51223 1 16 . 1 1 26 26 LEU N N 15 . 1 1 26 26 LEU H H 1 0.912165952 . . . . . . . . . . . 51223 1 17 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 0.91032937 . . . . . . . . . . . 51223 1 18 . 1 1 28 28 GLN N N 15 . 1 1 28 28 GLN H H 1 0.876872146 . . . . . . . . . . . 51223 1 19 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.864106692 . . . . . . . . . . . 51223 1 20 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.860291661 . . . . . . . . . . . 51223 1 21 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.875162454 . . . . . . . . . . . 51223 1 22 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.837519623 . . . . . . . . . . . 51223 1 23 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.869886557 . . . . . . . . . . . 51223 1 24 . 1 1 36 36 TYR N N 15 . 1 1 36 36 TYR H H 1 0.774388582 . . . . . . . . . . . 51223 1 25 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.841329297 . . . . . . . . . . . 51223 1 26 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.854335288 . . . . . . . . . . . 51223 1 27 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.906640521 . . . . . . . . . . . 51223 1 28 . 1 1 40 40 HIS N N 15 . 1 1 40 40 HIS H H 1 0.831137664 . . . . . . . . . . . 51223 1 29 . 1 1 41 41 VAL N N 15 . 1 1 41 41 VAL H H 1 0.893145336 . . . . . . . . . . . 51223 1 30 . 1 1 42 42 VAL N N 15 . 1 1 42 42 VAL H H 1 0.878258176 . . . . . . . . . . . 51223 1 31 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.868082175 . . . . . . . . . . . 51223 1 32 . 1 1 45 45 GLN N N 15 . 1 1 45 45 GLN H H 1 0.920197296 . . . . . . . . . . . 51223 1 33 . 1 1 47 47 MET N N 15 . 1 1 47 47 MET H H 1 0.852931504 . . . . . . . . . . . 51223 1 34 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.794872711 . . . . . . . . . . . 51223 1 35 . 1 1 49 49 PHE N N 15 . 1 1 49 49 PHE H H 1 0.854158539 . . . . . . . . . . . 51223 1 36 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.892254223 . . . . . . . . . . . 51223 1 37 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.840999408 . . . . . . . . . . . 51223 1 38 . 1 1 52 52 SER N N 15 . 1 1 52 52 SER H H 1 0.834988479 . . . . . . . . . . . 51223 1 39 . 1 1 54 54 GLU N N 15 . 1 1 54 54 GLU H H 1 0.841537664 . . . . . . . . . . . 51223 1 40 . 1 1 57 57 ALA N N 15 . 1 1 57 57 ALA H H 1 0.892299353 . . . . . . . . . . . 51223 1 41 . 1 1 59 59 CYS N N 15 . 1 1 59 59 CYS H H 1 0.896357782 . . . . . . . . . . . 51223 1 42 . 1 1 63 63 SER N N 15 . 1 1 63 63 SER H H 1 0.878706252 . . . . . . . . . . . 51223 1 43 . 1 1 64 64 ILE N N 15 . 1 1 64 64 ILE H H 1 0.8053652 . . . . . . . . . . . 51223 1 44 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.809447697 . . . . . . . . . . . 51223 1 45 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.828644132 . . . . . . . . . . . 51223 1 46 . 1 1 68 68 GLY N N 15 . 1 1 68 68 GLY H H 1 0.808875286 . . . . . . . . . . . 51223 1 47 . 1 1 72 72 ASN N N 15 . 1 1 72 72 ASN H H 1 0.816761467 . . . . . . . . . . . 51223 1 48 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.844200768 . . . . . . . . . . . 51223 1 49 . 1 1 76 76 SER N N 15 . 1 1 76 76 SER H H 1 0.871442493 . . . . . . . . . . . 51223 1 50 . 1 1 77 77 LYS N N 15 . 1 1 77 77 LYS H H 1 0.862772009 . . . . . . . . . . . 51223 1 51 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 0.892128152 . . . . . . . . . . . 51223 1 52 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.899756606 . . . . . . . . . . . 51223 1 53 . 1 1 80 80 CYS N N 15 . 1 1 80 80 CYS H H 1 0.894704754 . . . . . . . . . . . 51223 1 54 . 1 1 81 81 GLY N N 15 . 1 1 81 81 GLY H H 1 0.894212955 . . . . . . . . . . . 51223 1 55 . 1 1 82 82 LEU N N 15 . 1 1 82 82 LEU H H 1 0.91499239 . . . . . . . . . . . 51223 1 56 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.878257988 . . . . . . . . . . . 51223 1 57 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.852111804 . . . . . . . . . . . 51223 1 58 . 1 1 85 85 GLU N N 15 . 1 1 85 85 GLU H H 1 0.876520814 . . . . . . . . . . . 51223 1 59 . 1 1 86 86 ARG N N 15 . 1 1 86 86 ARG H H 1 0.884349943 . . . . . . . . . . . 51223 1 60 . 1 1 87 87 LEU N N 15 . 1 1 87 87 LEU H H 1 0.892324108 . . . . . . . . . . . 51223 1 61 . 1 1 88 88 ARG N N 15 . 1 1 88 88 ARG H H 1 0.889270511 . . . . . . . . . . . 51223 1 62 . 1 1 89 89 ILE N N 15 . 1 1 89 89 ILE H H 1 0.892808949 . . . . . . . . . . . 51223 1 63 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.867925396 . . . . . . . . . . . 51223 1 64 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.913491627 . . . . . . . . . . . 51223 1 65 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 0.844269069 . . . . . . . . . . . 51223 1 66 . 1 1 95 95 TYR N N 15 . 1 1 95 95 TYR H H 1 0.886409797 . . . . . . . . . . . 51223 1 67 . 1 1 96 96 ILE N N 15 . 1 1 96 96 ILE H H 1 0.924377176 . . . . . . . . . . . 51223 1 68 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.893359184 . . . . . . . . . . . 51223 1 69 . 1 1 98 98 TYR N N 15 . 1 1 98 98 TYR H H 1 0.856736379 . . . . . . . . . . . 51223 1 70 . 1 1 100 100 ASP N N 15 . 1 1 100 100 ASP H H 1 0.871165228 . . . . . . . . . . . 51223 1 71 . 1 1 101 101 MET N N 15 . 1 1 101 101 MET H H 1 0.919446702 . . . . . . . . . . . 51223 1 72 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.864047592 . . . . . . . . . . . 51223 1 73 . 1 1 103 103 ALA N N 15 . 1 1 103 103 ALA H H 1 0.885299213 . . . . . . . . . . . 51223 1 74 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.78174974 . . . . . . . . . . . 51223 1 75 . 1 1 105 105 ASN N N 15 . 1 1 105 105 ASN H H 1 0.864399837 . . . . . . . . . . . 51223 1 76 . 1 1 107 107 GLY N N 15 . 1 1 107 107 GLY H H 1 0.911286672 . . . . . . . . . . . 51223 1 77 . 1 1 108 108 TRP N N 15 . 1 1 108 108 TRP H H 1 0.847986194 . . . . . . . . . . . 51223 1 78 . 1 1 109 109 ASN N N 15 . 1 1 109 109 ASN H H 1 0.884518163 . . . . . . . . . . . 51223 1 79 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.848964555 . . . . . . . . . . . 51223 1 80 . 1 1 112 112 THR N N 15 . 1 1 112 112 THR H H 1 0.804708377 . . . . . . . . . . . 51223 1 81 . 1 1 113 113 PHE N N 15 . 1 1 113 113 PHE H H 1 0.800398909 . . . . . . . . . . . 51223 1 82 . 1 1 114 114 ALA N N 15 . 1 1 114 114 ALA H H 1 0.492843582 . . . . . . . . . . . 51223 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51223 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'Y99C MIF Homotrimer T1' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 2 'T1/R1 relaxation' . . . 51223 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 51223 1 2 $software_2 . . 51223 1 3 $software_3 . . 51223 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 MET N N 15 1.204 0.0331 . . . . . 51223 1 2 . 1 1 3 3 PHE N N 15 1.303 0.0463 . . . . . 51223 1 3 . 1 1 5 5 VAL N N 15 1.09 0.0686 . . . . . 51223 1 4 . 1 1 7 7 THR N N 15 1.272 0.0419 . . . . . 51223 1 5 . 1 1 11 11 ARG N N 15 1.281 0.0483 . . . . . 51223 1 6 . 1 1 12 12 ALA N N 15 1.193 0.0237 . . . . . 51223 1 7 . 1 1 13 13 SER N N 15 1.245 0.0291 . . . . . 51223 1 8 . 1 1 14 14 VAL N N 15 1.245 0.0268 . . . . . 51223 1 9 . 1 1 16 16 ASP N N 15 1.268 0.0366 . . . . . 51223 1 10 . 1 1 18 18 PHE N N 15 1.143 0.0381 . . . . . 51223 1 11 . 1 1 19 19 LEU N N 15 1.151 0.041 . . . . . 51223 1 12 . 1 1 20 20 SER N N 15 1.186 0.0279 . . . . . 51223 1 13 . 1 1 21 21 GLU N N 15 1.163 0.0228 . . . . . 51223 1 14 . 1 1 22 22 LEU N N 15 1.188 0.0311 . . . . . 51223 1 15 . 1 1 23 23 THR N N 15 1.217 0.036 . . . . . 51223 1 16 . 1 1 25 25 GLN N N 15 1.185 0.0415 . . . . . 51223 1 17 . 1 1 26 26 LEU N N 15 1.182 0.0407 . . . . . 51223 1 18 . 1 1 27 27 ALA N N 15 1.16 0.0455 . . . . . 51223 1 19 . 1 1 28 28 GLN N N 15 1.177 0.0366 . . . . . 51223 1 20 . 1 1 29 29 ALA N N 15 1.183 0.0273 . . . . . 51223 1 21 . 1 1 30 30 THR N N 15 1.183 0.0411 . . . . . 51223 1 22 . 1 1 31 31 GLY N N 15 1.164 0.0457 . . . . . 51223 1 23 . 1 1 32 32 LYS N N 15 1.278 0.0434 . . . . . 51223 1 24 . 1 1 35 35 GLN N N 15 1.239 0.0215 . . . . . 51223 1 25 . 1 1 36 36 TYR N N 15 1.242 0.0249 . . . . . 51223 1 26 . 1 1 37 37 ILE N N 15 1.196 0.052 . . . . . 51223 1 27 . 1 1 38 38 ALA N N 15 1.177 0.0307 . . . . . 51223 1 28 . 1 1 39 39 VAL N N 15 1.249 0.0412 . . . . . 51223 1 29 . 1 1 40 40 HIS N N 15 1.262 0.0217 . . . . . 51223 1 30 . 1 1 41 41 VAL N N 15 1.259 0.0195 . . . . . 51223 1 31 . 1 1 42 42 VAL N N 15 1.276 0.073 . . . . . 51223 1 32 . 1 1 44 44 ASP N N 15 1.191 0.0424 . . . . . 51223 1 33 . 1 1 45 45 GLN N N 15 1.208 0.0247 . . . . . 51223 1 34 . 1 1 47 47 MET N N 15 1.271 0.0501 . . . . . 51223 1 35 . 1 1 48 48 ALA N N 15 1.236 0.026 . . . . . 51223 1 36 . 1 1 49 49 PHE N N 15 1.207 0.0364 . . . . . 51223 1 37 . 1 1 50 50 GLY N N 15 1.117 0.0419 . . . . . 51223 1 38 . 1 1 51 51 GLY N N 15 1.247 0.0291 . . . . . 51223 1 39 . 1 1 52 52 SER N N 15 1.228 0.0247 . . . . . 51223 1 40 . 1 1 54 54 GLU N N 15 1.209 0.0272 . . . . . 51223 1 41 . 1 1 57 57 ALA N N 15 1.205 0.0545 . . . . . 51223 1 42 . 1 1 63 63 SER N N 15 1.185 0.035 . . . . . 51223 1 43 . 1 1 64 64 ILE N N 15 1.161 0.0405 . . . . . 51223 1 44 . 1 1 66 66 LYS N N 15 1.127 0.0441 . . . . . 51223 1 45 . 1 1 67 67 ILE N N 15 1.097 0.024 . . . . . 51223 1 46 . 1 1 68 68 GLY N N 15 1.165 0.0341 . . . . . 51223 1 47 . 1 1 72 72 ASN N N 15 1.12 0.0187 . . . . . 51223 1 48 . 1 1 74 74 SER N N 15 1.147 0.0194 . . . . . 51223 1 49 . 1 1 76 76 SER N N 15 1.112 0.0274 . . . . . 51223 1 50 . 1 1 77 77 LYS N N 15 1.166 0.0208 . . . . . 51223 1 51 . 1 1 78 78 LEU N N 15 1.19 0.0311 . . . . . 51223 1 52 . 1 1 79 79 LEU N N 15 1.156 0.0239 . . . . . 51223 1 53 . 1 1 80 80 CYS N N 15 1.166 0.0382 . . . . . 51223 1 54 . 1 1 81 81 GLY N N 15 1.172 0.0139 . . . . . 51223 1 55 . 1 1 82 82 LEU N N 15 1.17 0.0363 . . . . . 51223 1 56 . 1 1 83 83 LEU N N 15 1.159 0.0289 . . . . . 51223 1 57 . 1 1 84 84 ALA N N 15 0.9448 0.0253 . . . . . 51223 1 58 . 1 1 85 85 GLU N N 15 1.216 0.03 . . . . . 51223 1 59 . 1 1 86 86 ARG N N 15 1.23 0.0288 . . . . . 51223 1 60 . 1 1 87 87 LEU N N 15 1.227 0.0208 . . . . . 51223 1 61 . 1 1 88 88 ARG N N 15 1.236 0.0279 . . . . . 51223 1 62 . 1 1 89 89 ILE N N 15 1.273 0.0333 . . . . . 51223 1 63 . 1 1 90 90 SER N N 15 1.227 0.0397 . . . . . 51223 1 64 . 1 1 92 92 ASP N N 15 1.155 0.0187 . . . . . 51223 1 65 . 1 1 93 93 ARG N N 15 1.142 0.0486 . . . . . 51223 1 66 . 1 1 95 95 TYR N N 15 1.175 0.0198 . . . . . 51223 1 67 . 1 1 96 96 ILE N N 15 1.284 0.0363 . . . . . 51223 1 68 . 1 1 97 97 ASN N N 15 1.236 0.0268 . . . . . 51223 1 69 . 1 1 98 98 TYR N N 15 1.166 0.0209 . . . . . 51223 1 70 . 1 1 100 100 ASP N N 15 1.246 0.0371 . . . . . 51223 1 71 . 1 1 101 101 MET N N 15 1.149 0.0267 . . . . . 51223 1 72 . 1 1 102 102 ASN N N 15 1.244 0.0295 . . . . . 51223 1 73 . 1 1 103 103 ALA N N 15 1.166 0.0561 . . . . . 51223 1 74 . 1 1 104 104 ALA N N 15 1.097 0.0282 . . . . . 51223 1 75 . 1 1 105 105 ASN N N 15 1.25 0.0366 . . . . . 51223 1 76 . 1 1 107 107 GLY N N 15 1.202 0.0363 . . . . . 51223 1 77 . 1 1 108 108 TRP N N 15 1.207 0.0299 . . . . . 51223 1 78 . 1 1 109 109 ASN N N 15 1.148 0.0282 . . . . . 51223 1 79 . 1 1 110 110 ASN N N 15 1.162 0.0606 . . . . . 51223 1 80 . 1 1 111 111 SER N N 15 1.161 0.0291 . . . . . 51223 1 81 . 1 1 112 112 THR N N 15 1.183 0.0485 . . . . . 51223 1 82 . 1 1 113 113 PHE N N 15 1.237 0.0696 . . . . . 51223 1 83 . 1 1 114 114 ALA N N 15 0.8728 0.0216 . . . . . 51223 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51223 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'Y99C MIF Homotrimer T2' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 3 'T2/R2 relaxation' . . . 51223 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 51223 1 2 $software_2 . . 51223 1 3 $software_3 . . 51223 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 MET N N 15 45.81 1.65 . . . . . . . 51223 1 2 . 1 1 3 3 PHE N N 15 41.19 1.34 . . . . . . . 51223 1 3 . 1 1 5 5 VAL N N 15 52.16 6.31 . . . . . . . 51223 1 4 . 1 1 7 7 THR N N 15 47.48 1.67 . . . . . . . 51223 1 5 . 1 1 11 11 ARG N N 15 52.1 0.386 . . . . . . . 51223 1 6 . 1 1 12 12 ALA N N 15 48.96 0.323 . . . . . . . 51223 1 7 . 1 1 13 13 SER N N 15 54.6 1.82 . . . . . . . 51223 1 8 . 1 1 14 14 VAL N N 15 49.59 0.271 . . . . . . . 51223 1 9 . 1 1 16 16 ASP N N 15 54.75 0.242 . . . . . . . 51223 1 10 . 1 1 18 18 PHE N N 15 49.74 0.373 . . . . . . . 51223 1 11 . 1 1 19 19 LEU N N 15 54.72 0.474 . . . . . . . 51223 1 12 . 1 1 20 20 SER N N 15 52.12 0.456 . . . . . . . 51223 1 13 . 1 1 21 21 GLU N N 15 51.33 0.324 . . . . . . . 51223 1 14 . 1 1 22 22 LEU N N 15 51.39 0.506 . . . . . . . 51223 1 15 . 1 1 23 23 THR N N 15 57.93 2.34 . . . . . . . 51223 1 16 . 1 1 25 25 GLN N N 15 48.16 0.535 . . . . . . . 51223 1 17 . 1 1 26 26 LEU N N 15 49.92 3.09 . . . . . . . 51223 1 18 . 1 1 27 27 ALA N N 15 52.71 1.7 . . . . . . . 51223 1 19 . 1 1 28 28 GLN N N 15 55.45 0.776 . . . . . . . 51223 1 20 . 1 1 29 29 ALA N N 15 50.11 0.239 . . . . . . . 51223 1 21 . 1 1 30 30 THR N N 15 58.09 1.48 . . . . . . . 51223 1 22 . 1 1 31 31 GLY N N 15 49.9 0.973 . . . . . . . 51223 1 23 . 1 1 32 32 LYS N N 15 49.22 0.7 . . . . . . . 51223 1 24 . 1 1 35 35 GLN N N 15 53.4 0.961 . . . . . . . 51223 1 25 . 1 1 36 36 TYR N N 15 50.81 12.1 . . . . . . . 51223 1 26 . 1 1 37 37 ILE N N 15 42.64 0.686 . . . . . . . 51223 1 27 . 1 1 38 38 ALA N N 15 44.97 1.79 . . . . . . . 51223 1 28 . 1 1 39 39 VAL N N 15 50.82 0.276 . . . . . . . 51223 1 29 . 1 1 40 40 HIS N N 15 52.59 0.376 . . . . . . . 51223 1 30 . 1 1 41 41 VAL N N 15 52.27 0.814 . . . . . . . 51223 1 31 . 1 1 42 42 VAL N N 15 52.44 3.6 . . . . . . . 51223 1 32 . 1 1 44 44 ASP N N 15 51.56 1.75 . . . . . . . 51223 1 33 . 1 1 45 45 GLN N N 15 48.75 0.5 . . . . . . . 51223 1 34 . 1 1 47 47 MET N N 15 51.61 0.433 . . . . . . . 51223 1 35 . 1 1 48 48 ALA N N 15 50.07 0.697 . . . . . . . 51223 1 36 . 1 1 49 49 PHE N N 15 53.01 0.711 . . . . . . . 51223 1 37 . 1 1 50 50 GLY N N 15 48.57 1.1 . . . . . . . 51223 1 38 . 1 1 51 51 GLY N N 15 52.13 1.14 . . . . . . . 51223 1 39 . 1 1 52 52 SER N N 15 54.61 1.26 . . . . . . . 51223 1 40 . 1 1 54 54 GLU N N 15 48.59 0.483 . . . . . . . 51223 1 41 . 1 1 57 57 ALA N N 15 48.58 1.46 . . . . . . . 51223 1 42 . 1 1 63 63 SER N N 15 48.49 1.1 . . . . . . . 51223 1 43 . 1 1 64 64 ILE N N 15 45.99 1.76 . . . . . . . 51223 1 44 . 1 1 67 67 ILE N N 15 32 2.41 . . . . . . . 51223 1 45 . 1 1 68 68 GLY N N 15 53.89 1.9 . . . . . . . 51223 1 46 . 1 1 72 72 ASN N N 15 50.88 1.35 . . . . . . . 51223 1 47 . 1 1 74 74 SER N N 15 53.86 0.393 . . . . . . . 51223 1 48 . 1 1 76 76 SER N N 15 58.37 0.619 . . . . . . . 51223 1 49 . 1 1 77 77 LYS N N 15 47.12 0.457 . . . . . . . 51223 1 50 . 1 1 78 78 LEU N N 15 47.56 0.422 . . . . . . . 51223 1 51 . 1 1 79 79 LEU N N 15 48.97 0.642 . . . . . . . 51223 1 52 . 1 1 80 80 CYS N N 15 51.35 1.17 . . . . . . . 51223 1 53 . 1 1 81 81 GLY N N 15 46.08 1.25 . . . . . . . 51223 1 54 . 1 1 82 82 LEU N N 15 48.3 0.463 . . . . . . . 51223 1 55 . 1 1 83 83 LEU N N 15 54.33 2.26 . . . . . . . 51223 1 56 . 1 1 84 84 ALA N N 15 78.57 9.56 . . . . . . . 51223 1 57 . 1 1 85 85 GLU N N 15 50.55 0.292 . . . . . . . 51223 1 58 . 1 1 86 86 ARG N N 15 49.98 2.52 . . . . . . . 51223 1 59 . 1 1 87 87 LEU N N 15 52.65 3.2 . . . . . . . 51223 1 60 . 1 1 88 88 ARG N N 15 48.3 6.16 . . . . . . . 51223 1 61 . 1 1 89 89 ILE N N 15 50.98 1.22 . . . . . . . 51223 1 62 . 1 1 90 90 SER N N 15 44.82 0.524 . . . . . . . 51223 1 63 . 1 1 92 92 ASP N N 15 52.83 2.04 . . . . . . . 51223 1 64 . 1 1 93 93 ARG N N 15 48.57 2.72 . . . . . . . 51223 1 65 . 1 1 95 95 TYR N N 15 50.4 0.221 . . . . . . . 51223 1 66 . 1 1 96 96 ILE N N 15 31.97 1.51 . . . . . . . 51223 1 67 . 1 1 97 97 ASN N N 15 52.52 0.878 . . . . . . . 51223 1 68 . 1 1 98 98 TYR N N 15 48.49 0.419 . . . . . . . 51223 1 69 . 1 1 100 100 ASP N N 15 43.95 1.93 . . . . . . . 51223 1 70 . 1 1 101 101 MET N N 15 44.68 1.31 . . . . . . . 51223 1 71 . 1 1 102 102 ASN N N 15 42.1 0.962 . . . . . . . 51223 1 72 . 1 1 103 103 ALA N N 15 42.95 1.62 . . . . . . . 51223 1 73 . 1 1 104 104 ALA N N 15 72.78 4.34 . . . . . . . 51223 1 74 . 1 1 105 105 ASN N N 15 49.46 2.47 . . . . . . . 51223 1 75 . 1 1 107 107 GLY N N 15 50.92 1.19 . . . . . . . 51223 1 76 . 1 1 108 108 TRP N N 15 49.93 1.72 . . . . . . . 51223 1 77 . 1 1 109 109 ASN N N 15 40 0.86 . . . . . . . 51223 1 78 . 1 1 110 110 ASN N N 15 35.32 0.578 . . . . . . . 51223 1 79 . 1 1 112 112 THR N N 15 37.33 3.63 . . . . . . . 51223 1 80 . 1 1 113 113 PHE N N 15 49.12 1.01 . . . . . . . 51223 1 81 . 1 1 114 114 ALA N N 15 75.81 1.22 . . . . . . . 51223 1 stop_ save_