data_4390 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4390 _Entry.Title ; Backbone dynamics of the human CC-chemokine eotaxin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-09-08 _Entry.Accession_date 1999-09-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Jiqing Ye . . . 4390 2 Kristen Mayer . L. . 4390 3 Martin Stone . J. . 4390 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 4390 heteronucl_T1_relaxation 1 4390 heteronucl_T2_relaxation 1 4390 order_parameters 1 4390 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'order parameters' 57 4390 'T1 relaxation values' 57 4390 'T2 relaxation values' 57 4390 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-03 . update BMRB 'tag T2_relaxation_value changed to T2_value and Tau_e value changed from ns to ps' 4390 1 . . 2011-08-10 . update BMRB 'Order parameter tags corrected' 4390 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4390 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10605085 _Citation.Full_citation . _Citation.Title 'Backbone dynamics of the human CC-chemokine eotaxin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 115 _Citation.Page_last 124 _Citation.Year 1999 _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.Entry_ID _Citation_author.Citation_ID 1 Jiqing Ye . . . 4390 1 2 Kristen Mayer . L. . 4390 1 3 Martin Stone . J. . 4390 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID chemokines 4390 1 'disulfide bond isomerization' 4390 1 eotaxin 4390 1 'NMR relaxation' 4390 1 'protein backbone dynamics' 4390 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_eotaxin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_eotaxin _Assembly.Entry_ID 4390 _Assembly.ID 1 _Assembly.Name 'CC-chemokine eotaxin' _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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4390 1 stop_ 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 eotaxin 1 $eotaxin . . . native . . . . . 4390 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CC-chemokine eotaxin' system 4390 1 eotaxin abbreviation 4390 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'chemoattractant for eosinophils' 4390 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_eotaxin _Entity.Sf_category entity _Entity.Sf_framecode eotaxin _Entity.Entry_ID 4390 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CC-chemokine eotaxin' _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 ; GPASVPTTCCFNLANRKIPL QRLESYRRITSGKCPQKAVI FKTKLAKDICADPKKKWVQD SMKYLDQKSPTPKP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8347 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19989 . entity_1 . . . . . 100.00 74 100.00 100.00 3.37e-45 . . . . 4390 1 2 no BMRB 4155 . Eotaxin . . . . . 98.65 74 100.00 100.00 4.30e-44 . . . . 4390 1 3 no PDB 1EOT . "Solution Nmr Structure Of Eotaxin, Minimized Average Structure" . . . . . 100.00 74 100.00 100.00 3.37e-45 . . . . 4390 1 4 no PDB 2EOT . "Solution Structure Of Eotaxin, An Ensemble Of 32 Nmr Solution Structures" . . . . . 100.00 74 100.00 100.00 3.37e-45 . . . . 4390 1 5 no PDB 2MPM . "Structural Basis Of Receptor Sulfotyrosine Recognition By A Cc Chemokine: The N-terminal Region Of Ccr3 Bound To Ccl11/eotaxin-" . . . . . 100.00 74 100.00 100.00 3.37e-45 . . . . 4390 1 6 no DBJ BAA08370 . "eotaxin [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 7 no DBJ BAG72995 . "chemokine (C-C motif) ligand 11 [synthetic construct]" . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 8 no EMBL CAA99997 . "CC-chemokine [Homo sapiens]" . . . . . 100.00 97 98.65 100.00 3.66e-45 . . . . 4390 1 9 no EMBL CAA99998 . "CC-chemokine [Homo sapiens]" . . . . . 51.35 61 97.37 97.37 2.75e-17 . . . . 4390 1 10 no EMBL CAB07027 . "eotaxin [Homo sapiens]" . . . . . 100.00 97 98.65 100.00 3.66e-45 . . . . 4390 1 11 no EMBL CAG33702 . "CCL11 [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 12 no GB AAA98957 . "eotaxin precursor [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 13 no GB AAC50369 . "eotaxin precursor [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 14 no GB AAC51297 . "eotaxin precursor [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 15 no GB AAH17850 . "Chemokine (C-C motif) ligand 11 [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 16 no GB ABK41951 . "chemokine (C-C motif) ligand 11 [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 17 no PRF 2208449A . eotaxin . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 18 no REF NP_002977 . "eotaxin precursor [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 19 no REF XP_002827294 . "PREDICTED: eotaxin [Pongo abelii]" . . . . . 100.00 97 97.30 98.65 7.60e-44 . . . . 4390 1 20 no REF XP_003818054 . "PREDICTED: eotaxin [Pan paniscus]" . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 21 no REF XP_004041989 . "PREDICTED: eotaxin-like [Gorilla gorilla gorilla]" . . . . . 100.00 97 98.65 98.65 2.00e-44 . . . . 4390 1 22 no REF XP_004041990 . "PREDICTED: eotaxin-like [Gorilla gorilla gorilla]" . . . . . 100.00 97 98.65 98.65 2.00e-44 . . . . 4390 1 23 no SP P51671 . "RecName: Full=Eotaxin; AltName: Full=C-C motif chemokine 11; AltName: Full=Eosinophil chemotactic protein; AltName: Full=Small-" . . . . . 100.00 97 100.00 100.00 1.71e-45 . . . . 4390 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CC-chemokine eotaxin' common 4390 1 eotaxin abbreviation 4390 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 4390 1 2 . PRO . 4390 1 3 . ALA . 4390 1 4 . SER . 4390 1 5 . VAL . 4390 1 6 . PRO . 4390 1 7 . THR . 4390 1 8 . THR . 4390 1 9 . CYS . 4390 1 10 . CYS . 4390 1 11 . PHE . 4390 1 12 . ASN . 4390 1 13 . LEU . 4390 1 14 . ALA . 4390 1 15 . ASN . 4390 1 16 . ARG . 4390 1 17 . LYS . 4390 1 18 . ILE . 4390 1 19 . PRO . 4390 1 20 . LEU . 4390 1 21 . GLN . 4390 1 22 . ARG . 4390 1 23 . LEU . 4390 1 24 . GLU . 4390 1 25 . SER . 4390 1 26 . TYR . 4390 1 27 . ARG . 4390 1 28 . ARG . 4390 1 29 . ILE . 4390 1 30 . THR . 4390 1 31 . SER . 4390 1 32 . GLY . 4390 1 33 . LYS . 4390 1 34 . CYS . 4390 1 35 . PRO . 4390 1 36 . GLN . 4390 1 37 . LYS . 4390 1 38 . ALA . 4390 1 39 . VAL . 4390 1 40 . ILE . 4390 1 41 . PHE . 4390 1 42 . LYS . 4390 1 43 . THR . 4390 1 44 . LYS . 4390 1 45 . LEU . 4390 1 46 . ALA . 4390 1 47 . LYS . 4390 1 48 . ASP . 4390 1 49 . ILE . 4390 1 50 . CYS . 4390 1 51 . ALA . 4390 1 52 . ASP . 4390 1 53 . PRO . 4390 1 54 . LYS . 4390 1 55 . LYS . 4390 1 56 . LYS . 4390 1 57 . TRP . 4390 1 58 . VAL . 4390 1 59 . GLN . 4390 1 60 . ASP . 4390 1 61 . SER . 4390 1 62 . MET . 4390 1 63 . LYS . 4390 1 64 . TYR . 4390 1 65 . LEU . 4390 1 66 . ASP . 4390 1 67 . GLN . 4390 1 68 . LYS . 4390 1 69 . SER . 4390 1 70 . PRO . 4390 1 71 . THR . 4390 1 72 . PRO . 4390 1 73 . LYS . 4390 1 74 . PRO . 4390 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 . GLY 1 1 4390 1 . PRO 2 2 4390 1 . ALA 3 3 4390 1 . SER 4 4 4390 1 . VAL 5 5 4390 1 . PRO 6 6 4390 1 . THR 7 7 4390 1 . THR 8 8 4390 1 . CYS 9 9 4390 1 . CYS 10 10 4390 1 . PHE 11 11 4390 1 . ASN 12 12 4390 1 . LEU 13 13 4390 1 . ALA 14 14 4390 1 . ASN 15 15 4390 1 . ARG 16 16 4390 1 . LYS 17 17 4390 1 . ILE 18 18 4390 1 . PRO 19 19 4390 1 . LEU 20 20 4390 1 . GLN 21 21 4390 1 . ARG 22 22 4390 1 . LEU 23 23 4390 1 . GLU 24 24 4390 1 . SER 25 25 4390 1 . TYR 26 26 4390 1 . ARG 27 27 4390 1 . ARG 28 28 4390 1 . ILE 29 29 4390 1 . THR 30 30 4390 1 . SER 31 31 4390 1 . GLY 32 32 4390 1 . LYS 33 33 4390 1 . CYS 34 34 4390 1 . PRO 35 35 4390 1 . GLN 36 36 4390 1 . LYS 37 37 4390 1 . ALA 38 38 4390 1 . VAL 39 39 4390 1 . ILE 40 40 4390 1 . PHE 41 41 4390 1 . LYS 42 42 4390 1 . THR 43 43 4390 1 . LYS 44 44 4390 1 . LEU 45 45 4390 1 . ALA 46 46 4390 1 . LYS 47 47 4390 1 . ASP 48 48 4390 1 . ILE 49 49 4390 1 . CYS 50 50 4390 1 . ALA 51 51 4390 1 . ASP 52 52 4390 1 . PRO 53 53 4390 1 . LYS 54 54 4390 1 . LYS 55 55 4390 1 . LYS 56 56 4390 1 . TRP 57 57 4390 1 . VAL 58 58 4390 1 . GLN 59 59 4390 1 . ASP 60 60 4390 1 . SER 61 61 4390 1 . MET 62 62 4390 1 . LYS 63 63 4390 1 . TYR 64 64 4390 1 . LEU 65 65 4390 1 . ASP 66 66 4390 1 . GLN 67 67 4390 1 . LYS 68 68 4390 1 . SER 69 69 4390 1 . PRO 70 70 4390 1 . THR 71 71 4390 1 . PRO 72 72 4390 1 . LYS 73 73 4390 1 . PRO 74 74 4390 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 4390 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $eotaxin . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4390 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 4390 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $eotaxin . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . . . . . . . . 4390 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4390 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CC-chemokine eotaxin' [U-15N] . . 1 $eotaxin . . 0.8 . . mM . . . . 4390 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4390 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.00 0.05 n/a 4390 1 temperature 303 0.5 K 4390 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4390 _Software.ID 1 _Software.Name FELIX _Software.Version 95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 4390 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4390 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4390 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Varian Unity-INOVA . 500 . . . 4390 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 4390 _Experiment_list.ID 1 _Experiment_list.Details ; 1H-15N correlation 2D experiments used to determine 15N transverse and longitudinal relaxation rates,{1H}-15N NOEs and transverse cross relaxation rates ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4390 1 2 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4390 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_eotaxin _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_eotaxin _Heteronucl_NOE_list.Entry_ID 4390 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type . _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_one . 4390 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ALA H H 1 . 1 1 3 3 ALA N N 15 -1.278 0.020 . . . . . . . . . . 4390 1 2 . 1 1 4 4 SER H H 1 . 1 1 4 4 SER N N 15 -1.162 0.020 . . . . . . . . . . 4390 1 3 . 1 1 5 5 VAL H H 1 . 1 1 5 5 VAL N N 15 -0.594 0.020 . . . . . . . . . . 4390 1 4 . 1 1 7 7 THR H H 1 . 1 1 7 7 THR N N 15 -0.005 0.020 . . . . . . . . . . 4390 1 5 . 1 1 8 8 THR H H 1 . 1 1 8 8 THR N N 15 0.314 0.020 . . . . . . . . . . 4390 1 6 . 1 1 9 9 CYS H H 1 . 1 1 9 9 CYS N N 15 0.442 0.020 . . . . . . . . . . 4390 1 7 . 1 1 12 12 ASN H H 1 . 1 1 12 12 ASN N N 15 0.550 0.020 . . . . . . . . . . 4390 1 8 . 1 1 13 13 LEU H H 1 . 1 1 13 13 LEU N N 15 0.650 0.020 . . . . . . . . . . 4390 1 9 . 1 1 14 14 ALA H H 1 . 1 1 14 14 ALA N N 15 0.636 0.020 . . . . . . . . . . 4390 1 10 . 1 1 16 16 ARG H H 1 . 1 1 16 16 ARG N N 15 0.480 0.020 . . . . . . . . . . 4390 1 11 . 1 1 17 17 LYS H H 1 . 1 1 17 17 LYS N N 15 0.571 0.020 . . . . . . . . . . 4390 1 12 . 1 1 18 18 ILE H H 1 . 1 1 18 18 ILE N N 15 0.619 0.020 . . . . . . . . . . 4390 1 13 . 1 1 20 20 LEU H H 1 . 1 1 20 20 LEU N N 15 0.672 0.020 . . . . . . . . . . 4390 1 14 . 1 1 21 21 GLN H H 1 . 1 1 21 21 GLN N N 15 0.633 0.020 . . . . . . . . . . 4390 1 15 . 1 1 22 22 ARG H H 1 . 1 1 22 22 ARG N N 15 0.659 0.020 . . . . . . . . . . 4390 1 16 . 1 1 23 23 LEU H H 1 . 1 1 23 23 LEU N N 15 0.674 0.020 . . . . . . . . . . 4390 1 17 . 1 1 24 24 GLU H H 1 . 1 1 24 24 GLU N N 15 0.655 0.020 . . . . . . . . . . 4390 1 18 . 1 1 25 25 SER H H 1 . 1 1 25 25 SER N N 15 0.673 0.020 . . . . . . . . . . 4390 1 19 . 1 1 26 26 TYR H H 1 . 1 1 26 26 TYR N N 15 0.628 0.020 . . . . . . . . . . 4390 1 20 . 1 1 27 27 ARG H H 1 . 1 1 27 27 ARG N N 15 0.676 0.020 . . . . . . . . . . 4390 1 21 . 1 1 28 28 ARG H H 1 . 1 1 28 28 ARG N N 15 0.621 0.020 . . . . . . . . . . 4390 1 22 . 1 1 30 30 THR H H 1 . 1 1 30 30 THR N N 15 0.549 0.020 . . . . . . . . . . 4390 1 23 . 1 1 31 31 SER H H 1 . 1 1 31 31 SER N N 15 0.546 0.020 . . . . . . . . . . 4390 1 24 . 1 1 32 32 GLY H H 1 . 1 1 32 32 GLY N N 15 0.650 0.020 . . . . . . . . . . 4390 1 25 . 1 1 33 33 LYS H H 1 . 1 1 33 33 LYS N N 15 0.465 0.020 . . . . . . . . . . 4390 1 26 . 1 1 36 36 GLN H H 1 . 1 1 36 36 GLN N N 15 0.577 0.020 . . . . . . . . . . 4390 1 27 . 1 1 37 37 LYS H H 1 . 1 1 37 37 LYS N N 15 0.583 0.020 . . . . . . . . . . 4390 1 28 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.279 0.020 . . . . . . . . . . 4390 1 29 . 1 1 39 39 VAL H H 1 . 1 1 39 39 VAL N N 15 0.701 0.020 . . . . . . . . . . 4390 1 30 . 1 1 40 40 ILE H H 1 . 1 1 40 40 ILE N N 15 0.718 0.020 . . . . . . . . . . 4390 1 31 . 1 1 41 41 PHE H H 1 . 1 1 41 41 PHE N N 15 0.750 0.020 . . . . . . . . . . 4390 1 32 . 1 1 42 42 LYS H H 1 . 1 1 42 42 LYS N N 15 0.681 0.020 . . . . . . . . . . 4390 1 33 . 1 1 43 43 THR H H 1 . 1 1 43 43 THR N N 15 0.684 0.020 . . . . . . . . . . 4390 1 34 . 1 1 45 45 LEU H H 1 . 1 1 45 45 LEU N N 15 0.488 0.020 . . . . . . . . . . 4390 1 35 . 1 1 46 46 ALA H H 1 . 1 1 46 46 ALA N N 15 0.582 0.020 . . . . . . . . . . 4390 1 36 . 1 1 47 47 LYS H H 1 . 1 1 47 47 LYS N N 15 0.686 0.020 . . . . . . . . . . 4390 1 37 . 1 1 49 49 ILE H H 1 . 1 1 49 49 ILE N N 15 0.652 0.020 . . . . . . . . . . 4390 1 38 . 1 1 50 50 CYS H H 1 . 1 1 50 50 CYS N N 15 0.634 0.020 . . . . . . . . . . 4390 1 39 . 1 1 51 51 ALA H H 1 . 1 1 51 51 ALA N N 15 0.643 0.020 . . . . . . . . . . 4390 1 40 . 1 1 52 52 ASP H H 1 . 1 1 52 52 ASP N N 15 0.620 0.020 . . . . . . . . . . 4390 1 41 . 1 1 54 54 LYS H H 1 . 1 1 54 54 LYS N N 15 0.698 0.020 . . . . . . . . . . 4390 1 42 . 1 1 55 55 LYS H H 1 . 1 1 55 55 LYS N N 15 0.647 0.020 . . . . . . . . . . 4390 1 43 . 1 1 56 56 LYS H H 1 . 1 1 56 56 LYS N N 15 0.693 0.020 . . . . . . . . . . 4390 1 44 . 1 1 57 57 TRP H H 1 . 1 1 57 57 TRP N N 15 0.623 0.020 . . . . . . . . . . 4390 1 45 . 1 1 58 58 VAL H H 1 . 1 1 58 58 VAL N N 15 0.676 0.020 . . . . . . . . . . 4390 1 46 . 1 1 59 59 GLN H H 1 . 1 1 59 59 GLN N N 15 0.630 0.020 . . . . . . . . . . 4390 1 47 . 1 1 60 60 ASP H H 1 . 1 1 60 60 ASP N N 15 0.678 0.020 . . . . . . . . . . 4390 1 48 . 1 1 61 61 SER H H 1 . 1 1 61 61 SER N N 15 0.635 0.020 . . . . . . . . . . 4390 1 49 . 1 1 62 62 MET H H 1 . 1 1 62 62 MET N N 15 0.663 0.020 . . . . . . . . . . 4390 1 50 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.680 0.020 . . . . . . . . . . 4390 1 51 . 1 1 64 64 TYR H H 1 . 1 1 64 64 TYR N N 15 0.632 0.020 . . . . . . . . . . 4390 1 52 . 1 1 65 65 LEU H H 1 . 1 1 65 65 LEU N N 15 0.635 0.020 . . . . . . . . . . 4390 1 53 . 1 1 66 66 ASP H H 1 . 1 1 66 66 ASP N N 15 0.660 0.020 . . . . . . . . . . 4390 1 54 . 1 1 68 68 LYS H H 1 . 1 1 68 68 LYS N N 15 0.473 0.020 . . . . . . . . . . 4390 1 55 . 1 1 69 69 SER H H 1 . 1 1 69 69 SER N N 15 0.210 0.020 . . . . . . . . . . 4390 1 56 . 1 1 71 71 THR H H 1 . 1 1 71 71 THR N N 15 -0.605 0.020 . . . . . . . . . . 4390 1 57 . 1 1 73 73 LYS H H 1 . 1 1 73 73 LYS N N 15 -0.993 0.020 . . . . . . . . . . 4390 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_relaxation_eotaxin _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_eotaxin _Heteronucl_T1_list.Entry_ID 4390 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units Hz _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_one . 4390 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ALA N N 15 0.724 0.007 . . . . . 4390 1 2 . 1 1 4 4 SER N N 15 0.913 0.010 . . . . . 4390 1 3 . 1 1 5 5 VAL N N 15 1.186 0.014 . . . . . 4390 1 4 . 1 1 7 7 THR N N 15 1.656 0.024 . . . . . 4390 1 5 . 1 1 8 8 THR N N 15 1.844 0.048 . . . . . 4390 1 6 . 1 1 9 9 CYS N N 15 1.956 0.034 . . . . . 4390 1 7 . 1 1 12 12 ASN N N 15 1.881 0.053 . . . . . 4390 1 8 . 1 1 13 13 LEU N N 15 2.021 0.052 . . . . . 4390 1 9 . 1 1 14 14 ALA N N 15 2.073 0.046 . . . . . 4390 1 10 . 1 1 16 16 ARG N N 15 1.944 0.060 . . . . . 4390 1 11 . 1 1 17 17 LYS N N 15 2.092 0.024 . . . . . 4390 1 12 . 1 1 18 18 ILE N N 15 2.315 0.086 . . . . . 4390 1 13 . 1 1 20 20 LEU N N 15 2.307 0.026 . . . . . 4390 1 14 . 1 1 21 21 GLN N N 15 2.252 0.027 . . . . . 4390 1 15 . 1 1 22 22 ARG N N 15 2.342 0.036 . . . . . 4390 1 16 . 1 1 23 23 LEU N N 15 2.160 0.032 . . . . . 4390 1 17 . 1 1 24 24 GLU N N 15 2.184 0.047 . . . . . 4390 1 18 . 1 1 25 25 SER N N 15 2.260 0.034 . . . . . 4390 1 19 . 1 1 26 26 TYR N N 15 2.216 0.035 . . . . . 4390 1 20 . 1 1 27 27 ARG N N 15 2.497 0.074 . . . . . 4390 1 21 . 1 1 28 28 ARG N N 15 2.112 0.037 . . . . . 4390 1 22 . 1 1 30 30 THR N N 15 2.395 0.134 . . . . . 4390 1 23 . 1 1 31 31 SER N N 15 1.996 0.079 . . . . . 4390 1 24 . 1 1 32 32 GLY N N 15 1.923 0.114 . . . . . 4390 1 25 . 1 1 33 33 LYS N N 15 2.132 0.045 . . . . . 4390 1 26 . 1 1 36 36 GLN N N 15 2.075 0.034 . . . . . 4390 1 27 . 1 1 37 37 LYS N N 15 2.025 0.071 . . . . . 4390 1 28 . 1 1 38 38 ALA N N 15 1.811 0.030 . . . . . 4390 1 29 . 1 1 39 39 VAL N N 15 2.240 0.055 . . . . . 4390 1 30 . 1 1 40 40 ILE N N 15 2.237 0.046 . . . . . 4390 1 31 . 1 1 41 41 PHE N N 15 2.139 0.054 . . . . . 4390 1 32 . 1 1 42 42 LYS N N 15 2.281 0.044 . . . . . 4390 1 33 . 1 1 43 43 THR N N 15 2.070 0.038 . . . . . 4390 1 34 . 1 1 45 45 LEU N N 15 2.105 0.055 . . . . . 4390 1 35 . 1 1 46 46 ALA N N 15 2.022 0.030 . . . . . 4390 1 36 . 1 1 47 47 LYS N N 15 1.975 0.031 . . . . . 4390 1 37 . 1 1 49 49 ILE N N 15 2.022 0.048 . . . . . 4390 1 38 . 1 1 50 50 CYS N N 15 2.105 0.034 . . . . . 4390 1 39 . 1 1 51 51 ALA N N 15 2.225 0.062 . . . . . 4390 1 40 . 1 1 52 52 ASP N N 15 2.215 0.048 . . . . . 4390 1 41 . 1 1 54 54 LYS N N 15 2.150 0.031 . . . . . 4390 1 42 . 1 1 55 55 LYS N N 15 2.194 0.036 . . . . . 4390 1 43 . 1 1 56 56 LYS N N 15 2.245 0.072 . . . . . 4390 1 44 . 1 1 57 57 TRP N N 15 2.415 0.031 . . . . . 4390 1 45 . 1 1 58 58 VAL N N 15 2.358 0.035 . . . . . 4390 1 46 . 1 1 59 59 GLN N N 15 2.246 0.031 . . . . . 4390 1 47 . 1 1 60 60 ASP N N 15 2.240 0.026 . . . . . 4390 1 48 . 1 1 61 61 SER N N 15 2.096 0.032 . . . . . 4390 1 49 . 1 1 62 62 MET N N 15 2.190 0.035 . . . . . 4390 1 50 . 1 1 63 63 LYS N N 15 2.223 0.030 . . . . . 4390 1 51 . 1 1 64 64 TYR N N 15 2.247 0.030 . . . . . 4390 1 52 . 1 1 65 65 LEU N N 15 2.147 0.039 . . . . . 4390 1 53 . 1 1 66 66 ASP N N 15 2.073 0.028 . . . . . 4390 1 54 . 1 1 68 68 LYS N N 15 1.866 0.027 . . . . . 4390 1 55 . 1 1 69 69 SER N N 15 1.768 0.019 . . . . . 4390 1 56 . 1 1 71 71 THR N N 15 1.249 0.010 . . . . . 4390 1 57 . 1 1 73 73 LYS N N 15 1.106 0.014 . . . . . 4390 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_relaxation_eotaxin _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_eotaxin _Heteronucl_T2_list.Entry_ID 4390 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units Hz _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 . . 1 $sample_one . 4390 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ALA N N 15 1.922 0.013 . . . . . . . 4390 1 2 . 1 1 4 4 SER N N 15 2.344 0.016 . . . . . . . 4390 1 3 . 1 1 5 5 VAL N N 15 2.638 0.020 . . . . . . . 4390 1 4 . 1 1 7 7 THR N N 15 4.683 0.042 . . . . . . . 4390 1 5 . 1 1 8 8 THR N N 15 9.051 0.314 . . . . . . . 4390 1 6 . 1 1 9 9 CYS N N 15 5.989 0.069 . . . . . . . 4390 1 7 . 1 1 12 12 ASN N N 15 9.232 0.353 . . . . . . . 4390 1 8 . 1 1 13 13 LEU N N 15 7.281 0.135 . . . . . . . 4390 1 9 . 1 1 14 14 ALA N N 15 6.700 0.106 . . . . . . . 4390 1 10 . 1 1 16 16 ARG N N 15 5.576 0.072 . . . . . . . 4390 1 11 . 1 1 17 17 LYS N N 15 6.453 0.133 . . . . . . . 4390 1 12 . 1 1 18 18 ILE N N 15 6.185 0.270 . . . . . . . 4390 1 13 . 1 1 20 20 LEU N N 15 6.636 0.124 . . . . . . . 4390 1 14 . 1 1 21 21 GLN N N 15 6.464 0.132 . . . . . . . 4390 1 15 . 1 1 22 22 ARG N N 15 5.993 0.067 . . . . . . . 4390 1 16 . 1 1 23 23 LEU N N 15 6.577 0.070 . . . . . . . 4390 1 17 . 1 1 24 24 GLU N N 15 6.530 0.105 . . . . . . . 4390 1 18 . 1 1 25 25 SER N N 15 6.144 0.069 . . . . . . . 4390 1 19 . 1 1 26 26 TYR N N 15 6.962 0.177 . . . . . . . 4390 1 20 . 1 1 27 27 ARG N N 15 6.341 0.085 . . . . . . . 4390 1 21 . 1 1 28 28 ARG N N 15 6.545 0.201 . . . . . . . 4390 1 22 . 1 1 30 30 THR N N 15 7.319 0.180 . . . . . . . 4390 1 23 . 1 1 31 31 SER N N 15 9.988 0.543 . . . . . . . 4390 1 24 . 1 1 32 32 GLY N N 15 6.108 0.251 . . . . . . . 4390 1 25 . 1 1 33 33 LYS N N 15 8.320 0.133 . . . . . . . 4390 1 26 . 1 1 36 36 GLN N N 15 7.867 0.104 . . . . . . . 4390 1 27 . 1 1 37 37 LYS N N 15 11.710 0.333 . . . . . . . 4390 1 28 . 1 1 38 38 ALA N N 15 7.531 0.190 . . . . . . . 4390 1 29 . 1 1 39 39 VAL N N 15 6.311 0.105 . . . . . . . 4390 1 30 . 1 1 40 40 ILE N N 15 7.204 0.110 . . . . . . . 4390 1 31 . 1 1 41 41 PHE N N 15 6.099 0.121 . . . . . . . 4390 1 32 . 1 1 42 42 LYS N N 15 6.376 0.086 . . . . . . . 4390 1 33 . 1 1 43 43 THR N N 15 6.707 0.091 . . . . . . . 4390 1 34 . 1 1 45 45 LEU N N 15 6.250 0.114 . . . . . . . 4390 1 35 . 1 1 46 46 ALA N N 15 5.697 0.056 . . . . . . . 4390 1 36 . 1 1 47 47 LYS N N 15 5.617 0.061 . . . . . . . 4390 1 37 . 1 1 49 49 ILE N N 15 6.267 0.108 . . . . . . . 4390 1 38 . 1 1 50 50 CYS N N 15 6.234 0.073 . . . . . . . 4390 1 39 . 1 1 51 51 ALA N N 15 13.898 0.430 . . . . . . . 4390 1 40 . 1 1 52 52 ASP N N 15 5.965 0.090 . . . . . . . 4390 1 41 . 1 1 54 54 LYS N N 15 6.208 0.061 . . . . . . . 4390 1 42 . 1 1 55 55 LYS N N 15 6.106 0.071 . . . . . . . 4390 1 43 . 1 1 56 56 LYS N N 15 6.711 0.164 . . . . . . . 4390 1 44 . 1 1 57 57 TRP N N 15 7.344 0.150 . . . . . . . 4390 1 45 . 1 1 58 58 VAL N N 15 6.462 0.074 . . . . . . . 4390 1 46 . 1 1 59 59 GLN N N 15 6.082 0.063 . . . . . . . 4390 1 47 . 1 1 60 60 ASP N N 15 6.540 0.055 . . . . . . . 4390 1 48 . 1 1 61 61 SER N N 15 6.304 0.068 . . . . . . . 4390 1 49 . 1 1 62 62 MET N N 15 6.117 0.069 . . . . . . . 4390 1 50 . 1 1 63 63 LYS N N 15 6.203 0.060 . . . . . . . 4390 1 51 . 1 1 64 64 TYR N N 15 6.428 0.061 . . . . . . . 4390 1 52 . 1 1 65 65 LEU N N 15 6.354 0.081 . . . . . . . 4390 1 53 . 1 1 66 66 ASP N N 15 5.946 0.056 . . . . . . . 4390 1 54 . 1 1 68 68 LYS N N 15 4.849 0.046 . . . . . . . 4390 1 55 . 1 1 69 69 SER N N 15 4.388 0.123 . . . . . . . 4390 1 56 . 1 1 71 71 THR N N 15 2.000 0.013 . . . . . . . 4390 1 57 . 1 1 73 73 LYS N N 15 1.650 0.016 . . . . . . . 4390 1 stop_ save_ ###################### # Order parameters # ###################### save_S2_parameters _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_parameters _Order_parameter_list.Entry_ID 4390 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions _Order_parameter_list.Tau_e_val_units ps _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 $sample_one . 4390 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 3 3 ALA N N 15 0.135 0.002 74.1 1.2 . . . . . . . . . . . . . . . . . . . . . 4390 1 2 . 1 1 4 4 SER N N 15 0.178 0.002 95.4 1.7 . . . . . . . . . . . . . . . . . . . . . 4390 1 3 . 1 1 5 5 VAL N N 15 0.286 0.002 101.7 2.1 . . . . . . . . . . . . . . . . . . . . . 4390 1 4 . 1 1 7 7 THR N N 15 0.489 0.007 114.6 4.8 . . . . . . . . . . . . . . . . . . . . . 4390 1 5 . 1 1 8 8 THR N N 15 0.593 0.016 90.7 7.6 . . . . . . . . . . . . . . . . . . . . . 4390 1 6 . 1 1 9 9 CYS N N 15 0.648 0.012 78.0 6.2 . . . . . . . . . . . . . . . . . . . . . 4390 1 7 . 1 1 12 12 ASN N N 15 0.625 0.012 43.9 5.3 . . . . . . . . . . . . . . . . . . . . . 4390 1 8 . 1 1 13 13 LEU N N 15 0.691 0.018 29.6 5.8 . . . . . . . . . . . . . . . . . . . . . 4390 1 9 . 1 1 14 14 ALA N N 15 0.724 0.016 40.8 6.9 . . . . . . . . . . . . . . . . . . . . . 4390 1 10 . 1 1 16 16 ARG N N 15 0.674 0.008 75.4 6.5 . . . . . . . . . . . . . . . . . . . . . 4390 1 11 . 1 1 17 17 LYS N N 15 0.732 0.008 63.5 6.9 . . . . . . . . . . . . . . . . . . . . . 4390 1 12 . 1 1 18 18 ILE N N 15 0.778 0.022 63.2 12.2 . . . . . . . . . . . . . . . . . . . . . 4390 1 13 . 1 1 20 20 LEU N N 15 0.806 0.008 44.8 9.8 . . . . . . . . . . . . . . . . . . . . . 4390 1 14 . 1 1 21 21 GLN N N 15 0.779 0.009 53.8 8.7 . . . . . . . . . . . . . . . . . . . . . 4390 1 15 . 1 1 22 22 ARG N N 15 0.775 0.007 43.8 8.6 . . . . . . . . . . . . . . . . . . . . . 4390 1 16 . 1 1 23 23 LEU N N 15 0.749 0.012 31.4 7.1 . . . . . . . . . . . . . . . . . . . . . 4390 1 17 . 1 1 24 24 GLU N N 15 0.782 0.010 45.4 8.9 . . . . . . . . . . . . . . . . . . . . . 4390 1 18 . 1 1 25 25 SER N N 15 0.756 0.007 38.7 7.4 . . . . . . . . . . . . . . . . . . . . . 4390 1 19 . 1 1 26 26 TYR N N 15 0.789 0.011 60.8 9.7 . . . . . . . . . . . . . . . . . . . . . 4390 1 20 . 1 1 27 27 ARG N N 15 0.740 0.054 3184.5 820.1 . . . . . . . . 0.883 0.019 . . . . . . . . . . . 4390 1 21 . 1 1 28 28 ARG N N 15 0.746 0.012 50.2 7.5 . . . . . . . . . . . . . . . . . . . . . 4390 1 22 . 1 1 30 30 THR N N 15 0.878 0.013 324.5 290.9 . . . . . . . . . . . . . . . . . . . . . 4390 1 23 . 1 1 31 31 SER N N 15 0.676 0.027 57.2 8.9 . . . . . . . . . . . . . . . . . . . . . 4390 1 24 . 1 1 32 32 GLY N N 15 0.725 0.025 34.1 7.7 . . . . . . . . . . . . . . . . . . . . . 4390 1 25 . 1 1 33 33 LYS N N 15 0.714 0.015 100.5 10.7 . . . . . . . . . . . . . . . . . . . . . 4390 1 26 . 1 1 36 36 GLN N N 15 0.689 0.012 50.4 6.0 . . . . . . . . . . . . . . . . . . . . . 4390 1 27 . 1 1 37 37 LYS N N 15 0.673 0.024 44.9 7.0 . . . . . . . . . . . . . . . . . . . . . 4390 1 28 . 1 1 38 38 ALA N N 15 0.569 0.010 90.0 5.2 . . . . . . . . . . . . . . . . . . . . . 4390 1 29 . 1 1 39 39 VAL N N 15 0.774 0.011 26.2 8.1 . . . . . . . . . . . . . . . . . . . . . 4390 1 30 . 1 1 40 40 ILE N N 15 0.846 0.010 0.0 0.0 . . . . . . . . . . . . . . . . . . . . . 4390 1 31 . 1 1 41 41 PHE N N 15 0.750 0.012 0.0 0.0 . . . . . . . . . . . . . . . . . . . . . 4390 1 32 . 1 1 42 42 LYS N N 15 0.783 0.009 37.1 8.7 . . . . . . . . . . . . . . . . . . . . . 4390 1 33 . 1 1 43 43 THR N N 15 0.730 0.014 25.8 6.4 . . . . . . . . . . . . . . . . . . . . . 4390 1 34 . 1 1 45 45 LEU N N 15 0.687 0.018 79.0 9.2 . . . . . . . . . . . . . . . . . . . . . 4390 1 35 . 1 1 46 46 ALA N N 15 0.688 0.006 50.3 5.6 . . . . . . . . . . . . . . . . . . . . . 4390 1 36 . 1 1 47 47 LYS N N 15 0.685 0.006 21.2 5.1 . . . . . . . . . . . . . . . . . . . . . 4390 1 37 . 1 1 49 49 ILE N N 15 0.737 0.010 36.5 6.9 . . . . . . . . . . . . . . . . . . . . . 4390 1 38 . 1 1 50 50 CYS N N 15 0.743 0.007 45.1 7.1 . . . . . . . . . . . . . . . . . . . . . 4390 1 39 . 1 1 51 51 ALA N N 15 0.779 0.022 52.2 10.6 . . . . . . . . . . . . . . . . . . . . . 4390 1 40 . 1 1 52 52 ASP N N 15 0.730 0.009 50.1 7.0 . . . . . . . . . . . . . . . . . . . . . 4390 1 41 . 1 1 54 54 LYS N N 15 0.758 0.006 23.6 7.3 . . . . . . . . . . . . . . . . . . . . . 4390 1 42 . 1 1 55 55 LYS N N 15 0.757 0.008 42.8 7.7 . . . . . . . . . . . . . . . . . . . . . 4390 1 43 . 1 1 56 56 LYS N N 15 0.803 0.016 34.9 10.1 . . . . . . . . . . . . . . . . . . . . . 4390 1 44 . 1 1 57 57 TRP N N 15 0.851 0.010 101.7 16.9 . . . . . . . . . . . . . . . . . . . . . 4390 1 45 . 1 1 58 58 VAL N N 15 0.810 0.008 43.8 10.4 . . . . . . . . . . . . . . . . . . . . . 4390 1 46 . 1 1 59 59 GLN N N 15 0.753 0.007 53.1 7.6 . . . . . . . . . . . . . . . . . . . . . 4390 1 47 . 1 1 60 60 ASP N N 15 0.790 0.006 38.4 8.7 . . . . . . . . . . . . . . . . . . . . . 4390 1 48 . 1 1 61 61 SER N N 15 0.724 0.011 40.7 6.4 . . . . . . . . . . . . . . . . . . . . . 4390 1 49 . 1 1 62 62 MET N N 15 0.758 0.007 36.6 7.6 . . . . . . . . . . . . . . . . . . . . . 4390 1 50 . 1 1 63 63 LYS N N 15 0.765 0.006 34.0 7.7 . . . . . . . . . . . . . . . . . . . . . 4390 1 51 . 1 1 64 64 TYR N N 15 0.776 0.006 57.4 8.6 . . . . . . . . . . . . . . . . . . . . . 4390 1 52 . 1 1 65 65 LEU N N 15 0.762 0.008 48.8 8.0 . . . . . . . . . . . . . . . . . . . . . 4390 1 53 . 1 1 66 66 ASP N N 15 0.726 0.006 31.7 6.3 . . . . . . . . . . . . . . . . . . . . . 4390 1 54 . 1 1 68 68 LYS N N 15 0.739 0.023 1045.5 130.8 . . . . . . . . 0.725 0.010 . . . . . . . . . . . 4390 1 55 . 1 1 69 69 SER N N 15 0.540 0.006 94.2 4.0 . . . . . . . . . . . . . . . . . . . . . 4390 1 56 . 1 1 71 71 THR N N 15 0.204 0.007 811.1 16.9 . . . . . . . . 0.622 0.006 . . . . . . . . . . . 4390 1 57 . 1 1 73 73 LYS N N 15 0.144 0.009 686.4 16.1 . . . . . . . . 0.602 0.008 . . . . . . . . . . . 4390 1 stop_ save_