data_5520 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5520 _Entry.Title ; Role of backbone dynamics and structure in controlling the hydrolysis constants of serine proteinase inhibitors ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-09-11 _Entry.Accession_date 2002-09-12 _Entry.Last_release_date 2003-07-30 _Entry.Original_release_date 2003-07-30 _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 Jikui Song . . . 5520 2 John Markley . L. . 5520 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5520 heteronucl_T1_relaxation 10 5520 heteronucl_T2_relaxation 10 5520 heteronucl_NOEs 10 5520 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 51 5520 '15N chemical shifts' 51 5520 'T1 relaxation values' 255 5520 'T2 relaxation values' 255 5520 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 . . 2003-07-30 2002-09-11 original author . 5520 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5518 'OMTKY3 at pH 6.0 and 298K' 5520 BMRB 5519 'OMIPF3 at pH 6.0 and 298K' 5520 BMRB 5521 'Reactive site hydrolyzed OMIPF3 at pH 6.0 and pH 3.9 and 298K' 5520 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5520 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22617602 _Citation.DOI . _Citation.PubMed_ID 12731859 _Citation.Full_citation . _Citation.Title ; Protein Inhibitors of Serine Proteinases: Role of Backbone Structure and Dynamics in Controlling the Hydrolysis Constant ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 18 _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 5186 _Citation.Page_last 5194 _Citation.Year 2003 _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 Jikui Song . . . 5520 1 2 John Markley . L. . 5520 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_OMTKY3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_OMTKY3 _Assembly.Entry_ID 5520 _Assembly.ID 1 _Assembly.Name 'Turkey Ovomucoid Third Domain' _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; The inhibitor is reactive site hydrolyzed (the protein is composed of two chains since peptide bond between Leu18 and Glu19 is disrupted, the two chains are connected by disulfide bonds). ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5520 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 'OMTKY3, chain 1' 1 $OMTKY3_chain_1 . . . native . . . . . 5520 1 2 'OMTKY3, chain 2' 2 $OMTKY3_chain_2 . . . native . . . . . 5520 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 8 8 SG . 2 . 2 CYS 20 20 SG . . . . . . . . . . 5520 1 2 disulfide single . 1 . . CYS 16 16 SG . 2 . 2 CYS 17 17 SG . . . . . . . . . . 5520 1 3 disulfide single . 2 . . CYS 6 6 SG . 2 . 2 CYS 38 38 SG . . . . . . . . . . 5520 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Turkey Ovomucoid Third Domain' system 5520 1 OMTKY3 abbreviation 5520 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OMTKY3_chain_1 _Entity.Sf_category entity _Entity.Sf_framecode OMTKY3_chain_1 _Entity.Entry_ID 5520 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ovomucoid Third Domain from Turkey' _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 LAAVSVDCSEYPKPACTL _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 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1374 . "ovomucoid third domain" . . . . . 100.00 38 100.00 100.00 1.91e-18 . . . . 5520 1 2 no BMRB 1375 . "ovomucoid third domain" . . . . . 100.00 38 100.00 100.00 1.91e-18 . . . . 5520 1 3 no BMRB 4068 . OMTKY3 . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 4 no BMRB 42 . "ovomucoid third domain" . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 5 no BMRB 4864 . OMTKY3 . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 6 no BMRB 507 . "ovomucoid third domain" . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 7 no BMRB 5411 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.51e-18 . . . . 5520 1 8 no BMRB 5412 . OMTKY3 . . . . . 100.00 51 97.37 97.37 3.17e-17 . . . . 5520 1 9 no BMRB 5413 . OMTKY3 . . . . . 100.00 51 97.37 100.00 1.19e-17 . . . . 5520 1 10 no BMRB 5414 . OMTKY3 . . . . . 100.00 51 97.37 97.37 3.64e-17 . . . . 5520 1 11 no BMRB 5415 . OMTKY3 . . . . . 100.00 51 97.37 97.37 4.67e-17 . . . . 5520 1 12 no BMRB 5416 . OMTKY3 . . . . . 100.00 51 97.37 97.37 2.17e-17 . . . . 5520 1 13 no BMRB 5417 . OMTKY3 . . . . . 100.00 51 97.37 97.37 2.53e-17 . . . . 5520 1 14 no BMRB 5418 . OMTKY3 . . . . . 100.00 51 97.37 97.37 1.71e-17 . . . . 5520 1 15 no BMRB 5419 . OMTKY3 . . . . . 100.00 51 97.37 97.37 1.91e-17 . . . . 5520 1 16 no BMRB 5421 . OMTKY3 . . . . . 100.00 51 97.37 100.00 7.31e-18 . . . . 5520 1 17 no BMRB 5422 . OMTKY3 . . . . . 100.00 51 97.37 97.37 1.52e-17 . . . . 5520 1 18 no BMRB 5423 . OMTKY3 . . . . . 100.00 51 97.37 100.00 1.04e-17 . . . . 5520 1 19 no BMRB 5424 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.62e-18 . . . . 5520 1 20 no BMRB 5425 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.49e-18 . . . . 5520 1 21 no BMRB 5426 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.83e-18 . . . . 5520 1 22 no BMRB 5427 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.03e-18 . . . . 5520 1 23 no BMRB 5428 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.65e-18 . . . . 5520 1 24 no BMRB 5429 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.51e-18 . . . . 5520 1 25 no BMRB 5430 . OMTKY3 . . . . . 100.00 51 97.37 100.00 7.47e-18 . . . . 5520 1 26 no BMRB 5431 . OMTKY3 . . . . . 100.00 51 97.37 100.00 7.89e-18 . . . . 5520 1 27 no BMRB 5432 . OMTKY3 . . . . . 100.00 51 97.37 100.00 7.39e-18 . . . . 5520 1 28 no BMRB 5433 . OMTKY3 . . . . . 100.00 51 97.37 100.00 8.32e-18 . . . . 5520 1 29 no BMRB 5434 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.62e-18 . . . . 5520 1 30 no BMRB 5435 . OMTKY3 . . . . . 100.00 51 97.37 100.00 8.06e-18 . . . . 5520 1 31 no BMRB 5436 . OMTKY3 . . . . . 100.00 51 97.37 100.00 8.78e-18 . . . . 5520 1 32 no BMRB 5437 . OMTKY3 . . . . . 100.00 51 97.37 100.00 8.78e-18 . . . . 5520 1 33 no BMRB 5438 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.80e-18 . . . . 5520 1 34 no BMRB 5439 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.92e-18 . . . . 5520 1 35 no BMRB 5440 . OMTKY3 . . . . . 100.00 51 97.37 100.00 6.71e-18 . . . . 5520 1 36 no BMRB 5441 . OMTKY3 . . . . . 100.00 51 97.37 100.00 6.71e-18 . . . . 5520 1 37 no BMRB 5442 . OMTKY3 . . . . . 100.00 51 97.37 100.00 7.47e-18 . . . . 5520 1 38 no BMRB 5443 . OMTKY3 . . . . . 100.00 51 97.37 100.00 7.16e-18 . . . . 5520 1 39 no BMRB 5444 . OMTKY3 . . . . . 100.00 51 97.37 100.00 7.39e-18 . . . . 5520 1 40 no BMRB 5445 . OMTKY3 . . . . . 100.00 51 97.37 100.00 8.41e-18 . . . . 5520 1 41 no BMRB 5446 . OMTKY3 . . . . . 100.00 56 97.37 97.37 1.22e-17 . . . . 5520 1 42 no BMRB 5447 . OMTKY3 . . . . . 100.00 56 100.00 100.00 1.41e-18 . . . . 5520 1 43 no BMRB 5448 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.51e-18 . . . . 5520 1 44 no BMRB 5449 . OMTKY3 . . . . . 100.00 51 100.00 100.00 2.49e-18 . . . . 5520 1 45 no BMRB 5450 . OMTKY3 . . . . . 100.00 51 97.37 100.00 8.78e-18 . . . . 5520 1 46 no BMRB 5469 . omsvp3 . . . . . 100.00 54 100.00 100.00 1.51e-18 . . . . 5520 1 47 no BMRB 5470 . ati . . . . . 100.00 54 97.37 97.37 2.46e-17 . . . . 5520 1 48 no BMRB 5472 . P5-OMTKY3 . . . . . 100.00 56 100.00 100.00 1.30e-18 . . . . 5520 1 49 no BMRB 5473 . P5-OMTKY3 . . . . . 100.00 56 100.00 100.00 1.30e-18 . . . . 5520 1 50 no BMRB 5518 . OMTKY3 . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 51 no BMRB 5519 . OMIPF3 . . . . . 100.00 56 97.37 100.00 6.82e-18 . . . . 5520 1 52 no BMRB 5521 . OMIPF3_chain_2 . . . . . 100.00 38 97.37 100.00 7.86e-18 . . . . 5520 1 53 no PDB 1CHO . "Crystal And Molecular Structures Of The Complex Of Alpha- Chymotrypsin With Its Inhibitor Turkey Ovomucoid Third Domain At 1.8 " . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 54 no PDB 1CSO . "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Ile18i In Complex With Sgpb" . . . . . 100.00 51 100.00 100.00 2.18e-18 . . . . 5520 1 55 no PDB 1CT0 . "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Ser18i In Complex With Sgpb" . . . . . 100.00 51 100.00 100.00 2.28e-18 . . . . 5520 1 56 no PDB 1CT2 . "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Thr18i In Complex With Sgpb" . . . . . 100.00 51 100.00 100.00 2.36e-18 . . . . 5520 1 57 no PDB 1CT4 . "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Val18i In Complex With Sgpb" . . . . . 100.00 51 100.00 100.00 2.33e-18 . . . . 5520 1 58 no PDB 1DS2 . "Crystal Structure Of Sgpb:omtky3-Coo-Leu18i" . . . . . 100.00 51 100.00 100.00 2.51e-18 . . . . 5520 1 59 no PDB 1DS3 . "Crystal Structure Of Omtky3-Ch2-Asp19i" . . . . . 100.00 51 97.37 100.00 8.06e-18 . . . . 5520 1 60 no PDB 1HJA . "Lys 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Alpha-Chymotrypsin" . . . . . 100.00 51 100.00 100.00 2.51e-18 . . . . 5520 1 61 no PDB 1IY5 . "Solution Structure Of Wild Type Omsvp3" . . . . . 100.00 54 100.00 100.00 1.51e-18 . . . . 5520 1 62 no PDB 1IY6 . "Solution Structure Of Omsvp3 Variant, P14cN39C" . . . . . 100.00 54 97.37 97.37 2.46e-17 . . . . 5520 1 63 no PDB 1M8B . "Solution Structure Of The C State Of Turkey Ovomucoid At Ph 2.5" . . . . . 100.00 56 100.00 100.00 1.30e-18 . . . . 5520 1 64 no PDB 1M8C . "Solution Structure Of The T State Of Turkey Ovomucoid At Ph 2.5" . . . . . 100.00 56 100.00 100.00 1.30e-18 . . . . 5520 1 65 no PDB 1OMT . "Solution Structure Of Ovomucoid (Third Domain) From Domestic Turkey (298k, Ph 4.1) (Nmr, 50 Structures) (Standard Noesy Analysi" . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 66 no PDB 1OMU . "Solution Structure Of Ovomucoid (Third Domain) From Domestic Turkey (298k, Ph 4.1) (Nmr, 50 Structures) (Refined Model Using Ne" . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 67 no PDB 1PPF . "X-Ray Crystal Structure Of The Complex Of Human Leukocyte Elastase (Pmn Elastase) And The Third Domain Of The Turkey Ovomucoid " . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 68 no PDB 1R0R . "1.1 Angstrom Resolution Structure Of The Complex Between The Protein Inhibitor, Omtky3, And The Serine Protease, Subtilisin Car" . . . . . 100.00 51 100.00 100.00 2.51e-18 . . . . 5520 1 69 no PDB 1SGD . "Asp 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" . . . . . 100.00 51 100.00 100.00 2.62e-18 . . . . 5520 1 70 no PDB 1SGE . "Glu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" . . . . . 100.00 51 100.00 100.00 2.49e-18 . . . . 5520 1 71 no PDB 1SGN . "Asn 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" . . . . . 100.00 51 100.00 100.00 2.83e-18 . . . . 5520 1 72 no PDB 1SGP . "Ala 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" . . . . . 100.00 51 100.00 100.00 2.03e-18 . . . . 5520 1 73 no PDB 1SGQ . "Gly 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" . . . . . 100.00 51 100.00 100.00 2.83e-18 . . . . 5520 1 74 no PDB 1SGR . "Leu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" . . . . . 100.00 51 100.00 100.00 2.51e-18 . . . . 5520 1 75 no PDB 1SGY . "Tyr 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" . . . . . 100.00 51 100.00 100.00 2.83e-18 . . . . 5520 1 76 no PDB 1TUR . "Solution Structure Of Turkey Ovomucoid Third Domain As Determined From Nuclear Magnetic Resonance Data" . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 77 no PDB 1TUS . "Solution Structure Of Reactive-Site Hydrolyzed Turkey Ovomucoid Third Domain By Nuclear Magnetic Resonance And Distance Geometr" . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 78 no PDB 1YU6 . "Crystal Structure Of The Subtilisin Carlsberg:omtky3 Complex" . . . . . 100.00 185 100.00 100.00 1.75e-17 . . . . 5520 1 79 no PDB 2GKR . "Crystal Structure Of The N-Terminally Truncated Omtky3- Del(1-5)" . . . . . 100.00 51 100.00 100.00 2.51e-18 . . . . 5520 1 80 no PDB 2GKT . "Crystal Structure Of The P14'-Ala32 Variant Of The N- Terminally Truncated Omtky3-Del(1-5)" . . . . . 100.00 51 97.37 97.37 9.07e-18 . . . . 5520 1 81 no PDB 2GKV . "Crystal Structure Of The Sgpb:p14'-Ala32 Omtky3-Del(1-5) Complex" . . . . . 100.00 51 97.37 97.37 9.07e-18 . . . . 5520 1 82 no PDB 2NU0 . "Molecular Structures Of The Complexes Of Sgpb With Omtky3 Aromatic P1 Variants Trp18i, His18i, Phe18i, And Tyr18i" . . . . . 100.00 51 100.00 100.00 2.60e-18 . . . . 5520 1 83 no PDB 2NU1 . "Molecular Structures Of The Complexes Of Sgpb With Omtky3 Aromatic P1 Variants Trp18i, His18i, Phe18i And Tyr18i" . . . . . 100.00 51 100.00 100.00 2.65e-18 . . . . 5520 1 84 no PDB 2NU2 . "Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Om" . . . . . 100.00 51 100.00 100.00 2.49e-18 . . . . 5520 1 85 no PDB 2NU3 . "Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Om" . . . . . 100.00 51 100.00 100.00 2.51e-18 . . . . 5520 1 86 no PDB 2NU4 . "Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Om" . . . . . 100.00 51 100.00 100.00 2.51e-18 . . . . 5520 1 87 no PDB 2OVO . "The Crystal And Molecular Structure Of The Third Domain Of Silver Pheasant Ovomucoid (Omsvp3)" . . . . . 100.00 56 100.00 100.00 1.30e-18 . . . . 5520 1 88 no PDB 2SGD . "Asp 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7" . . . . . 100.00 51 100.00 100.00 2.62e-18 . . . . 5520 1 89 no PDB 2SGE . "Glu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7" . . . . . 100.00 51 100.00 100.00 2.49e-18 . . . . 5520 1 90 no PDB 2SGF . "Phe 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" . . . . . 100.00 51 100.00 100.00 2.83e-18 . . . . 5520 1 91 no PDB 2SGP . "Pro 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" . . . . . 100.00 51 100.00 100.00 2.51e-18 . . . . 5520 1 92 no PDB 2SGQ . "Gln 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" . . . . . 100.00 51 100.00 100.00 2.23e-18 . . . . 5520 1 93 no PDB 3SGB . "Structure Of The Complex Of Streptomyces Griseus Protease B And The Third Domain Of The Turkey Ovomucoid Inhibitor At 1.8 Angst" . . . . . 100.00 56 100.00 100.00 1.47e-18 . . . . 5520 1 94 no PDB 3SGQ . "Gln 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7" . . . . . 100.00 51 100.00 100.00 2.23e-18 . . . . 5520 1 95 no PDB 4OVO . "Refined X-Ray Crystal Structures Of The Reactive Site Modified Ovomucoid Inhibitor Third Domains From Silver Pheasant (Omsvp3(A" . . . . . 100.00 56 100.00 100.00 1.20e-18 . . . . 5520 1 96 no GB AAA48995 . "ovomucoid protein, partial [Gallus gallus]" . . . . . 63.16 24 100.00 100.00 4.90e-07 . . . . 5520 1 97 no PIR A31445 . "ovomucoid, third domain - ruffed grouse (fragment) [Bonasa umbellus]" . . . . . 100.00 56 100.00 100.00 1.30e-18 . . . . 5520 1 98 no PIR B61588 . "ovomucoid (PSTI-type proteinase inhibitor), third domain - white-tailed ptarmigan [Lagopus leucura]" . . . . . 100.00 56 100.00 100.00 1.30e-18 . . . . 5520 1 99 no PIR C31438 . "ovomucoid, third domain - cheer pheasant (fragment) [Catreus wallichii]" . . . . . 100.00 56 100.00 100.00 1.30e-18 . . . . 5520 1 100 no PIR D31440 . "ovomucoid 1, third domain - gray junglefowl (fragment) [Gallus sonneratii]" . . . . . 100.00 56 97.37 97.37 2.62e-17 . . . . 5520 1 101 no PIR E31437 . "ovomucoid, third domain - silver pheasant (fragment) [Lophura nycthemera]" . . . . . 100.00 56 100.00 100.00 1.30e-18 . . . . 5520 1 102 no REF XP_003210408 . "PREDICTED: ovomucoid isoform X1 [Meleagris gallopavo]" . . . . . 100.00 209 100.00 100.00 2.74e-17 . . . . 5520 1 103 no REF XP_010717310 . "PREDICTED: ovomucoid isoform X2 [Meleagris gallopavo]" . . . . . 100.00 207 100.00 100.00 2.76e-17 . . . . 5520 1 104 no SP P05589 . "RecName: Full=Ovomucoid, partial [Callipepla squamata castanogastris]" . . . . . 100.00 56 97.37 97.37 6.67e-18 . . . . 5520 1 105 no SP P05591 . "RecName: Full=Ovomucoid, partial [Colinus virginianus]" . . . . . 100.00 56 97.37 97.37 1.48e-17 . . . . 5520 1 106 no SP P05598 . "RecName: Full=Ovomucoid, partial [Francolinus pondicerianus]" . . . . . 100.00 56 97.37 97.37 2.46e-17 . . . . 5520 1 107 no SP P05601 . "RecName: Full=Ovomucoid, partial [Arborophila torqueola]" . . . . . 100.00 53 97.37 100.00 3.86e-18 . . . . 5520 1 108 no SP P05609 . "RecName: Full=Ovomucoid, partial [Pavo cristatus]" . . . . . 100.00 56 97.37 100.00 6.82e-18 . . . . 5520 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ovomucoid Third Domain from Turkey' common 5520 1 OMTKY3 abbreviation 5520 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 . LEU . 5520 1 2 . ALA . 5520 1 3 . ALA . 5520 1 4 . VAL . 5520 1 5 . SER . 5520 1 6 . VAL . 5520 1 7 . ASP . 5520 1 8 . CYS . 5520 1 9 . SER . 5520 1 10 . GLU . 5520 1 11 . TYR . 5520 1 12 . PRO . 5520 1 13 . LYS . 5520 1 14 . PRO . 5520 1 15 . ALA . 5520 1 16 . CYS . 5520 1 17 . THR . 5520 1 18 . LEU . 5520 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 . LEU 1 1 5520 1 . ALA 2 2 5520 1 . ALA 3 3 5520 1 . VAL 4 4 5520 1 . SER 5 5 5520 1 . VAL 6 6 5520 1 . ASP 7 7 5520 1 . CYS 8 8 5520 1 . SER 9 9 5520 1 . GLU 10 10 5520 1 . TYR 11 11 5520 1 . PRO 12 12 5520 1 . LYS 13 13 5520 1 . PRO 14 14 5520 1 . ALA 15 15 5520 1 . CYS 16 16 5520 1 . THR 17 17 5520 1 . LEU 18 18 5520 1 stop_ save_ save_OMTKY3_chain_2 _Entity.Sf_category entity _Entity.Sf_framecode OMTKY3_chain_2 _Entity.Entry_ID 5520 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Ovomucoid Third Domain from Turkey' _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 ; EYRPLCGSDNKTYGNKCNFC NAVVESNGTLTLSHFGKC ; _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 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P67945 . Ovomucoid . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . SWISS-PROT P67946 . Ovomucoid . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . SWISS-PROT P52261 . Ovomucoid . . . . . 100.00 56 100.00 100.00 3.29e-14 . . . . 5520 2 . . SWISS-PROT P67944 . Ovomucoid . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . PIR E31442 . 'ovomucoid, third domain - koklass pheasant (fragment)' . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . SWISS-PROT P52245 . Ovomucoid . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . PIR C31438 . 'ovomucoid, third domain - cheer pheasant (fragment)' . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . PIR E31437 . 'ovomucoid, third domain - silver pheasant (fragment)' . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . PIR A31445 . 'ovomucoid, third domain - ruffed grouse (fragment)' . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . PIR B61588 . 'ovomucoid (PSTI-type proteinase inhibitor), third domain - white-tailed ptarmigan' . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . PDB 4OVO . 'Refined X-Ray Crystal Structures Of The Reactive Site Modified Ovomucoid Inhibitor Third Domains From Silver Pheasant (Omsvp3(Asterisk)) And From Japanese Quail (Omjpq3(Asterisk))' . . . . . 100.00 56 100.00 100.00 3.06e-14 . . . . 5520 2 . . GenBank AAA48995 . 'ovomucoid protein' . . . . . 63.16 24 100.00 100.00 4.69e-05 . . . . 5520 2 . . PDB 3SGB . 'Structure Of The Complex Of Streptomyces Griseus Protease B And The Third Domain Of The Turkey Ovomucoid Inhibitor At 1.8 Angstroms Resolution' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . PDB 3SGQ . 'Gln 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7' . . . . . 100.00 51 100.00 100.00 5.34e-14 . . . . 5520 2 . . PDB 2SGP . 'Pro 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5' . . . . . 100.00 51 100.00 100.00 5.86e-14 . . . . 5520 2 . . PDB 2SGQ . 'Gln 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5' . . . . . 100.00 51 100.00 100.00 5.34e-14 . . . . 5520 2 . . PDB 2SGE . 'Glu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7' . . . . . 100.00 51 100.00 100.00 5.81e-14 . . . . 5520 2 . . PDB 2SGF . 'Phe 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B' . . . . . 100.00 51 100.00 100.00 6.42e-14 . . . . 5520 2 . . PDB 2OVO . 'The Crystal And Molecular Structure Of The Third Domain Of Silver Pheasant Ovomucoid (Omsvp3)' . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . PDB 2SGD . 'Asp 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7' . . . . . 100.00 51 100.00 100.00 6.06e-14 . . . . 5520 2 . . PDB 2NU3 . 'Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Omtky3 Variants Lys18i And Arg18i' . . . . . 100.00 51 100.00 100.00 5.86e-14 . . . . 5520 2 . . PDB 2NU4 . 'Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Omtky3 Variants Lys18i And Arg18i' . . . . . 100.00 51 100.00 100.00 5.86e-14 . . . . 5520 2 . . PDB 2NU1 . 'Molecular Structures Of The Complexes Of Sgpb With Omtky3 Aromatic P1 Variants Trp18i, His18i, Phe18i And Tyr18i' . . . . . 100.00 51 100.00 100.00 6.11e-14 . . . . 5520 2 . . PDB 2NU2 . 'Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Omtky3 Variants Lys18i And Arg18i' . . . . . 100.00 51 100.00 100.00 5.81e-14 . . . . 5520 2 . . PDB 2GKR . 'Crystal Structure Of The N-Terminally Truncated Omtky3- Del(1-5)' . . . . . 100.00 51 100.00 100.00 5.86e-14 . . . . 5520 2 . . PDB 2NU0 . 'Molecular Structures Of The Complexes Of Sgpb With Omtky3 Aromatic P1 Variants Trp18i, His18i, Phe18i, And Tyr18i' . . . . . 100.00 51 100.00 100.00 6.01e-14 . . . . 5520 2 . . PDB 1TUS . 'Solution Structure Of Reactive-Site Hydrolyzed Turkey Ovomucoid Third Domain By Nuclear Magnetic Resonance And Distance Geometry Methods' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . PDB 1YU6 . 'Crystal Structure Of The Subtilisin Carlsberg:omtky3 Complex' . . . . . 100.00 185 100.00 100.00 3.13e-14 . . . . 5520 2 . . PDB 1SGY . 'Tyr 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5' . . . . . 100.00 51 100.00 100.00 6.42e-14 . . . . 5520 2 . . PDB 1TUR . 'Solution Structure Of Turkey Ovomucoid Third Domain As Determined From Nuclear Magnetic Resonance Data' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . PDB 1SGQ . 'Gly 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B' . . . . . 100.00 51 100.00 100.00 6.42e-14 . . . . 5520 2 . . PDB 1SGR . 'Leu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B' . . . . . 100.00 51 100.00 100.00 5.86e-14 . . . . 5520 2 . . PDB 1SGN . 'Asn 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B' . . . . . 100.00 51 100.00 100.00 6.42e-14 . . . . 5520 2 . . PDB 1SGP . 'Ala 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B' . . . . . 100.00 51 100.00 100.00 4.96e-14 . . . . 5520 2 . . PDB 1SGD . 'Asp 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5' . . . . . 100.00 51 100.00 100.00 6.06e-14 . . . . 5520 2 . . PDB 1SGE . 'Glu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5' . . . . . 100.00 51 100.00 100.00 5.81e-14 . . . . 5520 2 . . PDB 1PPF . 'X-Ray Crystal Structure Of The Complex Of Human Leukocyte Elastase (Pmn Elastase) And The Third Domain Of The Turkey Ovomucoid Inhibitor' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . PDB 1R0R . '1.1 Angstrom Resolution Structure Of The Complex Between The Protein Inhibitor, Omtky3, And The Serine Protease, Subtilisin Carlsberg' . . . . . 100.00 51 100.00 100.00 5.86e-14 . . . . 5520 2 . . PDB 1OMT . 'Solution Structure Of Ovomucoid (Third Domain) From Domestic Turkey (298k, Ph 4.1) (Nmr, 50 Structures) (Standard Noesy Analysis)' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . PDB 1OMU . 'Solution Structure Of Ovomucoid (Third Domain) From Domestic Turkey (298k, Ph 4.1) (Nmr, 50 Structures) (Refined Model Using Network Editing Analysis)' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . PDB 1M8B . 'Solution Structure Of The C State Of Turkey Ovomucoid At Ph 2.5' . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . PDB 1M8C . 'Solution Structure Of The T State Of Turkey Ovomucoid At Ph 2.5' . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . PDB 1HJA . 'Lys 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Alpha-Chymotrypsin' . . . . . 100.00 51 100.00 100.00 5.86e-14 . . . . 5520 2 . . PDB 1IY5 . 'Solution Structure Of Wild Type Omsvp3' . . . . . 100.00 54 100.00 100.00 3.76e-14 . . . . 5520 2 . . PDB 1CT4 . 'Crystal Structure Of The Omtky3 P1 Variant Omtky3-Val18i In Complex With Sgpb' . . . . . 100.00 51 100.00 100.00 5.53e-14 . . . . 5520 2 . . PDB 1DS2 . 'Crystal Structure Of Sgpb:omtky3-Coo-Leu18i' . . . . . 100.00 51 100.00 100.00 5.86e-14 . . . . 5520 2 . . PDB 1CT0 . 'Crystal Structure Of The Omtky3 P1 Variant Omtky3-Ser18i In Complex With Sgpb' . . . . . 100.00 51 100.00 100.00 5.43e-14 . . . . 5520 2 . . PDB 1CT2 . 'Crystal Structure Of The Omtky3 P1 Variant Omtky3-Thr18i In Complex With Sgpb' . . . . . 100.00 51 100.00 100.00 5.57e-14 . . . . 5520 2 . . PDB 1CHO . 'Crystal And Molecular Structures Of The Complex Of Alpha- Chymotrypsin With Its Inhibitor Turkey Ovomucoid Third Domain At 1.8 Angstroms Resolution' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . PDB 1CSO . 'Crystal Structure Of The Omtky3 P1 Variant Omtky3-Ile18i In Complex With Sgpb' . . . . . 100.00 51 100.00 100.00 5.26e-14 . . . . 5520 2 . . BMRB 5473 . 'Ovomucoid Third Domain' . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . BMRB 5518 . 'Ovomucoid Third Domain from Turkey' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . BMRB 5469 . 'ovomucoid third domain from silver pheasant' . . . . . 100.00 54 100.00 100.00 3.76e-14 . . . . 5520 2 . . BMRB 5472 . 'Ovomucoid Third Domain' . . . . . 100.00 56 100.00 100.00 3.24e-14 . . . . 5520 2 . . BMRB 5448 . 'Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 5.86e-14 . . . . 5520 2 . . BMRB 5449 . 'P5-His Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 5.81e-14 . . . . 5520 2 . . BMRB 5439 . 'P4-Asp Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 6.58e-14 . . . . 5520 2 . . BMRB 5447 . 'P8-Phe,P6-Asp Turkey Ovomucoid Third Domain' . . . . . 100.00 56 100.00 100.00 3.46e-14 . . . . 5520 2 . . BMRB 5434 . 'P2-Lys Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 6.06e-14 . . . . 5520 2 . . BMRB 5438 . 'P4-Lys Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 6.37e-14 . . . . 5520 2 . . BMRB 5428 . 'P1-His Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 6.11e-14 . . . . 5520 2 . . BMRB 5429 . 'P1-Lys Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 5.86e-14 . . . . 5520 2 . . BMRB 5426 . 'P1-Gly Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 6.42e-14 . . . . 5520 2 . . BMRB 5427 . 'P1-Ala Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 4.96e-14 . . . . 5520 2 . . BMRB 5424 . 'P1-Asp Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 6.06e-14 . . . . 5520 2 . . BMRB 5425 . 'P1-Glu Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 5.81e-14 . . . . 5520 2 . . BMRB 507 . 'ovomucoid third domain' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . BMRB 5411 . 'Turkey Ovomucoid Third Domain' . . . . . 100.00 51 100.00 100.00 5.86e-14 . . . . 5520 2 . . BMRB 4864 . 'Ovomucoid Third Domain from Turkey' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . BMRB 4865 . 'Ovomucoid Third Domain from Turkey' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . BMRB 4068 . 'turkey ovomucoid third domain' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . BMRB 42 . 'ovomucoid third domain' . . . . . 100.00 56 100.00 100.00 3.58e-14 . . . . 5520 2 . . BMRB 1374 . 'ovomucoid third domain' . . . . . 100.00 38 100.00 100.00 5.67e-14 . . . . 5520 2 . . BMRB 1375 . 'ovomucoid third domain' . . . . . 100.00 38 100.00 100.00 5.67e-14 . . . . 5520 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ovomucoid Third Domain from Turkey' common 5520 2 OMTKY3 abbreviation 5520 2 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 19 GLU . 5520 2 2 20 TYR . 5520 2 3 21 ARG . 5520 2 4 22 PRO . 5520 2 5 23 LEU . 5520 2 6 24 CYS . 5520 2 7 25 GLY . 5520 2 8 26 SER . 5520 2 9 27 ASP . 5520 2 10 28 ASN . 5520 2 11 29 LYS . 5520 2 12 30 THR . 5520 2 13 31 TYR . 5520 2 14 32 GLY . 5520 2 15 33 ASN . 5520 2 16 34 LYS . 5520 2 17 35 CYS . 5520 2 18 36 ASN . 5520 2 19 37 PHE . 5520 2 20 38 CYS . 5520 2 21 39 ASN . 5520 2 22 40 ALA . 5520 2 23 41 VAL . 5520 2 24 42 VAL . 5520 2 25 43 GLU . 5520 2 26 44 SER . 5520 2 27 45 ASN . 5520 2 28 46 GLY . 5520 2 29 47 THR . 5520 2 30 48 LEU . 5520 2 31 49 THR . 5520 2 32 50 LEU . 5520 2 33 51 SER . 5520 2 34 52 HIS . 5520 2 35 53 PHE . 5520 2 36 54 GLY . 5520 2 37 55 LYS . 5520 2 38 56 CYS . 5520 2 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 . GLU 1 1 5520 2 . TYR 2 2 5520 2 . ARG 3 3 5520 2 . PRO 4 4 5520 2 . LEU 5 5 5520 2 . CYS 6 6 5520 2 . GLY 7 7 5520 2 . SER 8 8 5520 2 . ASP 9 9 5520 2 . ASN 10 10 5520 2 . LYS 11 11 5520 2 . THR 12 12 5520 2 . TYR 13 13 5520 2 . GLY 14 14 5520 2 . ASN 15 15 5520 2 . LYS 16 16 5520 2 . CYS 17 17 5520 2 . ASN 18 18 5520 2 . PHE 19 19 5520 2 . CYS 20 20 5520 2 . ASN 21 21 5520 2 . ALA 22 22 5520 2 . VAL 23 23 5520 2 . VAL 24 24 5520 2 . GLU 25 25 5520 2 . SER 26 26 5520 2 . ASN 27 27 5520 2 . GLY 28 28 5520 2 . THR 29 29 5520 2 . LEU 30 30 5520 2 . THR 31 31 5520 2 . LEU 32 32 5520 2 . SER 33 33 5520 2 . HIS 34 34 5520 2 . PHE 35 35 5520 2 . GLY 36 36 5520 2 . LYS 37 37 5520 2 . CYS 38 38 5520 2 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 5520 _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 $OMTKY3_chain_1 . 9103 . . 'Meleagris gallopavo' Turkey . . Eukaryota Metazoa Meleagris gallopavo . . . . . . . . . . . . . . . . . . . . . 5520 1 2 2 $OMTKY3_chain_2 . 9103 . . 'Meleagris gallopavo' Turkey . . Eukaryota Metazoa Meleagris gallopavo . . . . . . . . . . . . . . . . . . . . . 5520 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 5520 _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 $OMTKY3_chain_1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5520 1 2 2 $OMTKY3_chain_2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5520 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5520 _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 'Ovomucoid Third Domain from Turkey' '[U-13C; U-15N]' . . 1 $OMTKY3_chain_1 . . 2 . . mM . . . . 5520 1 2 'Ovomucoid Third Domain from Turkey' '[U-13C; U-15N]' . . 2 $OMTKY3_chain_2 . . 2 . . mM . . . . 5520 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5520 _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 6.0 0.2 n/a 5520 1 temperature 298 1 K 5520 1 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 5520 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5520 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5520 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5520 _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_1 Bruker DMX . 500 . . . 5520 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5520 1 3 NMR_spectrometer_3 Bruker DMX . 750 . . . 5520 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 5520 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '15N T1' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5520 1 2 '15N T2' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5520 1 3 '1H,15N NOE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5520 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5520 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N T1' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5520 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N T2' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5520 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H,15N NOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5520 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5520 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5520 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_chemical_shifts_OMTKY3_chain_1_pH6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_OMTKY3_chain_1_pH6 _Assigned_chem_shift_list.Entry_ID 5520 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $Sample_1 . 5520 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.636 0.05 . 1 . . . . . . . . 5520 1 2 . 1 1 2 2 ALA N N 15 128.187 0.1 . 1 . . . . . . . . 5520 1 3 . 1 1 3 3 ALA H H 1 8.415 0.05 . 1 . . . . . . . . 5520 1 4 . 1 1 3 3 ALA N N 15 125.691 0.1 . 1 . . . . . . . . 5520 1 5 . 1 1 4 4 VAL H H 1 8.152 0.05 . 1 . . . . . . . . 5520 1 6 . 1 1 4 4 VAL N N 15 119.987 0.1 . 1 . . . . . . . . 5520 1 7 . 1 1 5 5 SER H H 1 8.224 0.05 . 1 . . . . . . . . 5520 1 8 . 1 1 5 5 SER N N 15 119.297 0.1 . 1 . . . . . . . . 5520 1 9 . 1 1 6 6 VAL H H 1 8.292 0.05 . 1 . . . . . . . . 5520 1 10 . 1 1 6 6 VAL N N 15 121.474 0.1 . 1 . . . . . . . . 5520 1 11 . 1 1 7 7 ASP H H 1 8.588 0.05 . 1 . . . . . . . . 5520 1 12 . 1 1 7 7 ASP N N 15 126.029 0.1 . 1 . . . . . . . . 5520 1 13 . 1 1 8 8 CYS H H 1 8.923 0.05 . 1 . . . . . . . . 5520 1 14 . 1 1 8 8 CYS N N 15 126.883 0.1 . 1 . . . . . . . . 5520 1 15 . 1 1 9 9 SER H H 1 8.712 0.05 . 1 . . . . . . . . 5520 1 16 . 1 1 9 9 SER N N 15 120.452 0.1 . 1 . . . . . . . . 5520 1 17 . 1 1 10 10 GLU H H 1 8.767 0.05 . 1 . . . . . . . . 5520 1 18 . 1 1 10 10 GLU N N 15 120.89 0.1 . 1 . . . . . . . . 5520 1 19 . 1 1 11 11 TYR H H 1 7.604 0.05 . 1 . . . . . . . . 5520 1 20 . 1 1 11 11 TYR N N 15 120.359 0.1 . 1 . . . . . . . . 5520 1 21 . 1 1 13 13 LYS H H 1 9.047 0.05 . 1 . . . . . . . . 5520 1 22 . 1 1 13 13 LYS N N 15 122.219 0.1 . 1 . . . . . . . . 5520 1 23 . 1 1 15 15 ALA H H 1 7.675 0.05 . 1 . . . . . . . . 5520 1 24 . 1 1 15 15 ALA N N 15 119.539 0.1 . 1 . . . . . . . . 5520 1 25 . 1 1 16 16 CYS H H 1 8.488 0.05 . 1 . . . . . . . . 5520 1 26 . 1 1 16 16 CYS N N 15 118.899 0.1 . 1 . . . . . . . . 5520 1 27 . 1 1 17 17 THR H H 1 8.236 0.05 . 1 . . . . . . . . 5520 1 28 . 1 1 17 17 THR N N 15 117.241 0.1 . 1 . . . . . . . . 5520 1 29 . 1 1 18 18 LEU H H 1 8.051 0.05 . 1 . . . . . . . . 5520 1 30 . 1 1 18 18 LEU N N 15 130.97 0.1 . 1 . . . . . . . . 5520 1 stop_ save_ save_chemical_shifts_OMTKY3_chain_2_pH6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_OMTKY3_chain_2_pH6 _Assigned_chem_shift_list.Entry_ID 5520 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $Sample_1 . 5520 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 2 2 TYR H H 1 9.018 0.05 . 1 . . . . 20 . . . 5520 2 2 . 2 2 2 2 TYR N N 15 126.735 0.1 . 1 . . . . 20 . . . 5520 2 3 . 2 2 3 3 ARG H H 1 8.665 0.05 . 1 . . . . 21 . . . 5520 2 4 . 2 2 3 3 ARG N N 15 130.271 0.1 . 1 . . . . 21 . . . 5520 2 5 . 2 2 5 5 LEU H H 1 8.667 0.05 . 1 . . . . 23 . . . 5520 2 6 . 2 2 5 5 LEU N N 15 121.007 0.1 . 1 . . . . 23 . . . 5520 2 7 . 2 2 6 6 CYS H H 1 8.139 0.05 . 1 . . . . 24 . . . 5520 2 8 . 2 2 6 6 CYS N N 15 121.997 0.1 . 1 . . . . 24 . . . 5520 2 9 . 2 2 7 7 GLY H H 1 9.416 0.05 . 1 . . . . 25 . . . 5520 2 10 . 2 2 7 7 GLY N N 15 117.145 0.1 . 1 . . . . 25 . . . 5520 2 11 . 2 2 8 8 SER H H 1 9.366 0.05 . 1 . . . . 26 . . . 5520 2 12 . 2 2 8 8 SER N N 15 119.487 0.1 . 1 . . . . 26 . . . 5520 2 13 . 2 2 9 9 ASP H H 1 8.356 0.05 . 1 . . . . 27 . . . 5520 2 14 . 2 2 9 9 ASP N N 15 122.579 0.1 . 1 . . . . 27 . . . 5520 2 15 . 2 2 10 10 ASN H H 1 8.611 0.05 . 1 . . . . 28 . . . 5520 2 16 . 2 2 10 10 ASN N N 15 116.741 0.1 . 1 . . . . 28 . . . 5520 2 17 . 2 2 11 11 LYS H H 1 7.871 0.05 . 1 . . . . 29 . . . 5520 2 18 . 2 2 11 11 LYS N N 15 120.441 0.1 . 1 . . . . 29 . . . 5520 2 19 . 2 2 12 12 THR H H 1 8.207 0.05 . 1 . . . . 30 . . . 5520 2 20 . 2 2 12 12 THR N N 15 121.624 0.1 . 1 . . . . 30 . . . 5520 2 21 . 2 2 13 13 TYR H H 1 9.774 0.05 . 1 . . . . 31 . . . 5520 2 22 . 2 2 13 13 TYR N N 15 130.745 0.1 . 1 . . . . 31 . . . 5520 2 23 . 2 2 14 14 GLY H H 1 9.234 0.05 . 1 . . . . 32 . . . 5520 2 24 . 2 2 14 14 GLY N N 15 110.594 0.1 . 1 . . . . 32 . . . 5520 2 25 . 2 2 15 15 ASN H H 1 7.482 0.05 . 1 . . . . 33 . . . 5520 2 26 . 2 2 15 15 ASN N N 15 109.614 0.1 . 1 . . . . 33 . . . 5520 2 27 . 2 2 16 16 LYS H H 1 8.863 0.05 . 1 . . . . 34 . . . 5520 2 28 . 2 2 16 16 LYS N N 15 120.534 0.1 . 1 . . . . 34 . . . 5520 2 29 . 2 2 17 17 CYS H H 1 8.323 0.05 . 1 . . . . 35 . . . 5520 2 30 . 2 2 17 17 CYS N N 15 121.652 0.1 . 1 . . . . 35 . . . 5520 2 31 . 2 2 18 18 ASN H H 1 8.575 0.05 . 1 . . . . 36 . . . 5520 2 32 . 2 2 18 18 ASN N N 15 119.455 0.1 . 1 . . . . 36 . . . 5520 2 33 . 2 2 19 19 PHE H H 1 8.136 0.05 . 1 . . . . 37 . . . 5520 2 34 . 2 2 19 19 PHE N N 15 120.793 0.1 . 1 . . . . 37 . . . 5520 2 35 . 2 2 20 20 CYS H H 1 9.136 0.05 . 1 . . . . 38 . . . 5520 2 36 . 2 2 20 20 CYS N N 15 117.925 0.1 . 1 . . . . 38 . . . 5520 2 37 . 2 2 21 21 ASN H H 1 8.151 0.05 . 1 . . . . 39 . . . 5520 2 38 . 2 2 21 21 ASN N N 15 120.693 0.1 . 1 . . . . 39 . . . 5520 2 39 . 2 2 22 22 ALA H H 1 7.235 0.05 . 1 . . . . 40 . . . 5520 2 40 . 2 2 22 22 ALA N N 15 125.015 0.1 . 1 . . . . 40 . . . 5520 2 41 . 2 2 23 23 VAL H H 1 8.472 0.05 . 1 . . . . 41 . . . 5520 2 42 . 2 2 23 23 VAL N N 15 124.848 0.1 . 1 . . . . 41 . . . 5520 2 43 . 2 2 24 24 VAL H H 1 7.982 0.05 . 1 . . . . 42 . . . 5520 2 44 . 2 2 24 24 VAL N N 15 121.849 0.1 . 1 . . . . 42 . . . 5520 2 45 . 2 2 25 25 GLU H H 1 7.805 0.05 . 1 . . . . 43 . . . 5520 2 46 . 2 2 25 25 GLU N N 15 122.201 0.1 . 1 . . . . 43 . . . 5520 2 47 . 2 2 26 26 SER H H 1 7.793 0.05 . 1 . . . . 44 . . . 5520 2 48 . 2 2 26 26 SER N N 15 114.405 0.1 . 1 . . . . 44 . . . 5520 2 49 . 2 2 27 27 ASN H H 1 8.428 0.05 . 1 . . . . 45 . . . 5520 2 50 . 2 2 27 27 ASN N N 15 121.85 0.1 . 1 . . . . 45 . . . 5520 2 51 . 2 2 28 28 GLY H H 1 8.052 0.05 . 1 . . . . 46 . . . 5520 2 52 . 2 2 28 28 GLY N N 15 104.487 0.1 . 1 . . . . 46 . . . 5520 2 53 . 2 2 29 29 THR H H 1 7.573 0.05 . 1 . . . . 47 . . . 5520 2 54 . 2 2 29 29 THR N N 15 112.204 0.1 . 1 . . . . 47 . . . 5520 2 55 . 2 2 30 30 LEU H H 1 7.708 0.05 . 1 . . . . 48 . . . 5520 2 56 . 2 2 30 30 LEU N N 15 126.166 0.1 . 1 . . . . 48 . . . 5520 2 57 . 2 2 31 31 THR H H 1 8.548 0.05 . 1 . . . . 49 . . . 5520 2 58 . 2 2 31 31 THR N N 15 117.08 0.1 . 1 . . . . 49 . . . 5520 2 59 . 2 2 32 32 LEU H H 1 8.733 0.05 . 1 . . . . 50 . . . 5520 2 60 . 2 2 32 32 LEU N N 15 123.172 0.1 . 1 . . . . 50 . . . 5520 2 61 . 2 2 33 33 SER H H 1 8.925 0.05 . 1 . . . . 51 . . . 5520 2 62 . 2 2 33 33 SER N N 15 124.592 0.1 . 1 . . . . 51 . . . 5520 2 63 . 2 2 34 34 HIS H H 1 7.236 0.05 . 1 . . . . 52 . . . 5520 2 64 . 2 2 34 34 HIS N N 15 109.029 0.1 . 1 . . . . 52 . . . 5520 2 65 . 2 2 35 35 PHE H H 1 9.095 0.05 . 1 . . . . 53 . . . 5520 2 66 . 2 2 35 35 PHE N N 15 121.032 0.1 . 1 . . . . 53 . . . 5520 2 67 . 2 2 36 36 GLY H H 1 8.438 0.05 . 1 . . . . 54 . . . 5520 2 68 . 2 2 36 36 GLY N N 15 115.839 0.1 . 1 . . . . 54 . . . 5520 2 69 . 2 2 37 37 LYS H H 1 7.974 0.05 . 1 . . . . 55 . . . 5520 2 70 . 2 2 37 37 LYS N N 15 114.849 0.1 . 1 . . . . 55 . . . 5520 2 71 . 2 2 38 38 CYS H H 1 8.214 0.05 . 1 . . . . 56 . . . 5520 2 72 . 2 2 38 38 CYS N N 15 125.807 0.1 . 1 . . . . 56 . . . 5520 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_chain_1_500_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_1_500_pH6 _Heteronucl_NOE_list.Entry_ID 5520 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _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_1 . 5520 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 . . . 2 2 ALA . . . . . . 2 2 ALA . . . -3.4 0.10 . . . . . . . . . . 5520 1 2 . . . 3 3 ALA . . . . . . 3 3 ALA . . . -1.2 0.03 . . . . . . . . . . 5520 1 3 . . . 4 4 VAL . . . . . . 4 4 VAL . . . -0.4 0.11 . . . . . . . . . . 5520 1 4 . . . 5 5 SER . . . . . . 5 5 SER . . . -0.0 0.15 . . . . . . . . . . 5520 1 5 . . . 6 6 VAL . . . . . . 6 6 VAL . . . 0.33 0.083 . . . . . . . . . . 5520 1 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.66 0.066 . . . . . . . . . . 5520 1 7 . . . 8 8 CYS . . . . . . 8 8 CYS . . . 0.66 0.046 . . . . . . . . . . 5520 1 8 . . . 9 9 SER . . . . . . 9 9 SER . . . 0.55 0.039 . . . . . . . . . . 5520 1 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.68 0.047 . . . . . . . . . . 5520 1 10 . . . 11 11 TYR . . . . . . 11 11 TYR . . . 0.64 0.045 . . . . . . . . . . 5520 1 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.57 0.039 . . . . . . . . . . 5520 1 12 . . . 15 15 ALA . . . . . . 15 15 ALA . . . 0.55 0.058 . . . . . . . . . . 5520 1 13 . . . 16 16 CYS . . . . . . 16 16 CYS . . . 0.55 0.038 . . . . . . . . . . 5520 1 14 . . . 17 17 THR . . . . . . 17 17 THR . . . 0.18 0.012 . . . . . . . . . . 5520 1 15 . . . 18 18 LEU . . . . . . 18 18 LEU . . . -0.0 0.27 . . . . . . . . . . 5520 1 stop_ save_ save_heteronuclear_NOE_chain_2_500_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_2_500_pH6 _Heteronucl_NOE_list.Entry_ID 5520 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _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_1 . 5520 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . . . 2 2 TYR . . . . . . 2 2 TYR . . . 0.63 0.044 . . . . . . . . . . 5520 2 2 . . . 3 3 ARG . . . . . . 3 3 ARG . . . 0.35 0.025 . . . . . . . . . . 5520 2 3 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.57 0.040 . . . . . . . . . . 5520 2 4 . . . 6 6 CYS . . . . . . 6 6 CYS . . . 0.70 0.049 . . . . . . . . . . 5520 2 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.60 0.042 . . . . . . . . . . 5520 2 6 . . . 8 8 SER . . . . . . 8 8 SER . . . 0.65 0.046 . . . . . . . . . . 5520 2 7 . . . 9 9 ASP . . . . . . 9 9 ASP . . . 0.70 0.049 . . . . . . . . . . 5520 2 8 . . . 10 10 ASN . . . . . . 10 10 ASN . . . 0.58 0.041 . . . . . . . . . . 5520 2 9 . . . 11 11 LYS . . . . . . 11 11 LYS . . . 0.60 0.042 . . . . . . . . . . 5520 2 10 . . . 12 12 THR . . . . . . 12 12 THR . . . 0.60 0.042 . . . . . . . . . . 5520 2 11 . . . 13 13 TYR . . . . . . 13 13 TYR . . . 0.59 0.041 . . . . . . . . . . 5520 2 12 . . . 14 14 GLY . . . . . . 14 14 GLY . . . 0.66 0.046 . . . . . . . . . . 5520 2 13 . . . 15 15 ASN . . . . . . 15 15 ASN . . . 0.51 0.036 . . . . . . . . . . 5520 2 14 . . . 16 16 LYS . . . . . . 16 16 LYS . . . 0.67 0.047 . . . . . . . . . . 5520 2 15 . . . 17 17 CYS . . . . . . 17 17 CYS . . . 0.55 0.039 . . . . . . . . . . 5520 2 16 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.69 0.048 . . . . . . . . . . 5520 2 17 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.57 0.040 . . . . . . . . . . 5520 2 18 . . . 20 20 CYS . . . . . . 20 20 CYS . . . 0.58 0.040 . . . . . . . . . . 5520 2 19 . . . 21 21 ASN . . . . . . 21 21 ASN . . . 0.64 0.045 . . . . . . . . . . 5520 2 20 . . . 22 22 ALA . . . . . . 22 22 ALA . . . 0.70 0.049 . . . . . . . . . . 5520 2 21 . . . 23 23 VAL . . . . . . 23 23 VAL . . . 0.69 0.048 . . . . . . . . . . 5520 2 22 . . . 24 24 VAL . . . . . . 24 24 VAL . . . 0.63 0.044 . . . . . . . . . . 5520 2 23 . . . 25 25 GLU . . . . . . 25 25 GLU . . . 0.54 0.038 . . . . . . . . . . 5520 2 24 . . . 26 26 SER . . . . . . 26 26 SER . . . 0.57 0.040 . . . . . . . . . . 5520 2 25 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.68 0.047 . . . . . . . . . . 5520 2 26 . . . 28 28 GLY . . . . . . 28 28 GLY . . . 0.56 0.039 . . . . . . . . . . 5520 2 27 . . . 29 29 THR . . . . . . 29 29 THR . . . 0.68 0.047 . . . . . . . . . . 5520 2 28 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.66 0.046 . . . . . . . . . . 5520 2 29 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.68 0.047 . . . . . . . . . . 5520 2 30 . . . 32 32 LEU . . . . . . 32 32 LEU . . . 0.61 0.043 . . . . . . . . . . 5520 2 31 . . . 33 33 SER . . . . . . 33 33 SER . . . 0.66 0.046 . . . . . . . . . . 5520 2 32 . . . 34 34 HIS . . . . . . 34 34 HIS . . . 0.73 0.051 . . . . . . . . . . 5520 2 33 . . . 35 35 PHE . . . . . . 35 35 PHE . . . 0.62 0.043 . . . . . . . . . . 5520 2 34 . . . 36 36 GLY . . . . . . 36 36 GLY . . . 0.69 0.048 . . . . . . . . . . 5520 2 35 . . . 37 37 LYS . . . . . . 37 37 LYS . . . 0.64 0.045 . . . . . . . . . . 5520 2 36 . . . 38 38 CYS . . . . . . 38 38 CYS . . . 0.57 0.040 . . . . . . . . . . 5520 2 stop_ save_ save_heteronuclear_NOE_chain_1_600_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_1_600_pH6 _Heteronucl_NOE_list.Entry_ID 5520 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _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_1 . 5520 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . . . 2 2 ALA . . . . . . 2 2 ALA . . . -2.9 -0.08 . . . . . . . . . . 5520 3 2 . . . 3 3 ALA . . . . . . 3 3 ALA . . . -1.0 -0.03 . . . . . . . . . . 5520 3 3 . . . 4 4 VAL . . . . . . 4 4 VAL . . . -0.1 0.15 . . . . . . . . . . 5520 3 4 . . . 5 5 SER . . . . . . 5 5 SER . . . 0.25 0.17 . . . . . . . . . . 5520 3 5 . . . 6 6 VAL . . . . . . 6 6 VAL . . . 0.45 0.081 . . . . . . . . . . 5520 3 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.64 0.068 . . . . . . . . . . 5520 3 7 . . . 8 8 CYS . . . . . . 8 8 CYS . . . 0.66 0.046 . . . . . . . . . . 5520 3 8 . . . 9 9 SER . . . . . . 9 9 SER . . . 0.65 0.045 . . . . . . . . . . 5520 3 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.69 0.048 . . . . . . . . . . 5520 3 10 . . . 11 11 TYR . . . . . . 11 11 TYR . . . 0.65 0.045 . . . . . . . . . . 5520 3 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.65 0.045 . . . . . . . . . . 5520 3 12 . . . 15 15 ALA . . . . . . 15 15 ALA . . . 0.53 0.036 . . . . . . . . . . 5520 3 13 . . . 16 16 CYS . . . . . . 16 16 CYS . . . 0.64 0.044 . . . . . . . . . . 5520 3 14 . . . 17 17 THR . . . . . . 17 17 THR . . . 0.38 0.027 . . . . . . . . . . 5520 3 15 . . . 18 18 LEU . . . . . . 18 18 LEU . . . -0.2 0.15 . . . . . . . . . . 5520 3 stop_ save_ save_heteronuclear_NOE_chain_2_600_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_2_600_pH6 _Heteronucl_NOE_list.Entry_ID 5520 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _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_1 . 5520 4 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 . . . 2 2 TYR . . . . . . 2 2 TYR . . . 0.66 0.062 . . . . . . . . . . 5520 4 2 . . . 3 3 ARG . . . . . . 3 3 ARG . . . 0.48 0.033 . . . . . . . . . . 5520 4 3 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.66 0.046 . . . . . . . . . . 5520 4 4 . . . 6 6 CYS . . . . . . 6 6 CYS . . . 0.70 0.049 . . . . . . . . . . 5520 4 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.73 0.051 . . . . . . . . . . 5520 4 6 . . . 8 8 SER . . . . . . 8 8 SER . . . 0.68 0.048 . . . . . . . . . . 5520 4 7 . . . 9 9 ASP . . . . . . 9 9 ASP . . . 0.69 0.048 . . . . . . . . . . 5520 4 8 . . . 10 10 ASN . . . . . . 10 10 ASN . . . 0.70 0.049 . . . . . . . . . . 5520 4 9 . . . 11 11 LYS . . . . . . 11 11 LYS . . . 0.74 0.052 . . . . . . . . . . 5520 4 10 . . . 12 12 THR . . . . . . 12 12 THR . . . 0.75 0.052 . . . . . . . . . . 5520 4 11 . . . 13 13 TYR . . . . . . 13 13 TYR . . . 0.65 0.045 . . . . . . . . . . 5520 4 12 . . . 14 14 GLY . . . . . . 14 14 GLY . . . 0.71 0.050 . . . . . . . . . . 5520 4 13 . . . 15 15 ASN . . . . . . 15 15 ASN . . . 0.73 0.051 . . . . . . . . . . 5520 4 14 . . . 16 16 LYS . . . . . . 16 16 LYS . . . 0.75 0.059 . . . . . . . . . . 5520 4 15 . . . 17 17 CYS . . . . . . 17 17 CYS . . . 0.64 0.045 . . . . . . . . . . 5520 4 16 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.69 0.057 . . . . . . . . . . 5520 4 17 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.64 0.045 . . . . . . . . . . 5520 4 18 . . . 20 20 CYS . . . . . . 20 20 CYS . . . 0.75 0.052 . . . . . . . . . . 5520 4 19 . . . 21 21 ASN . . . . . . 21 21 ASN . . . 0.80 0.056 . . . . . . . . . . 5520 4 20 . . . 22 22 ALA . . . . . . 22 22 ALA . . . 0.76 0.053 . . . . . . . . . . 5520 4 21 . . . 23 23 VAL . . . . . . 23 23 VAL . . . 0.67 0.047 . . . . . . . . . . 5520 4 22 . . . 24 24 VAL . . . . . . 24 24 VAL . . . 0.64 0.044 . . . . . . . . . . 5520 4 23 . . . 25 25 GLU . . . . . . 25 25 GLU . . . 0.78 0.054 . . . . . . . . . . 5520 4 24 . . . 26 26 SER . . . . . . 26 26 SER . . . 0.77 0.054 . . . . . . . . . . 5520 4 25 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.74 0.052 . . . . . . . . . . 5520 4 26 . . . 28 28 GLY . . . . . . 28 28 GLY . . . 0.64 0.045 . . . . . . . . . . 5520 4 27 . . . 29 29 THR . . . . . . 29 29 THR . . . 0.71 0.050 . . . . . . . . . . 5520 4 28 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.69 0.048 . . . . . . . . . . 5520 4 29 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.75 0.052 . . . . . . . . . . 5520 4 30 . . . 32 32 LEU . . . . . . 32 32 LEU . . . 0.68 0.048 . . . . . . . . . . 5520 4 31 . . . 33 33 SER . . . . . . 33 33 SER . . . 0.69 0.048 . . . . . . . . . . 5520 4 32 . . . 34 34 HIS . . . . . . 34 34 HIS . . . 0.75 0.052 . . . . . . . . . . 5520 4 33 . . . 35 35 PHE . . . . . . 35 35 PHE . . . 0.73 0.051 . . . . . . . . . . 5520 4 34 . . . 36 36 GLY . . . . . . 36 36 GLY . . . 0.73 0.051 . . . . . . . . . . 5520 4 35 . . . 37 37 LYS . . . . . . 37 37 LYS . . . 0.68 0.047 . . . . . . . . . . 5520 4 36 . . . 38 38 CYS . . . . . . 38 38 CYS . . . 0.76 0.053 . . . . . . . . . . 5520 4 stop_ save_ save_heteronuclear_NOE_chain_1_600_pH39 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_1_600_pH39 _Heteronucl_NOE_list.Entry_ID 5520 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _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_1 . 5520 5 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 . . . 2 2 ALA . . . . . . 2 2 ALA . . . -1.5 0.04 . . . . . . . . . . 5520 5 2 . . . 3 3 ALA . . . . . . 3 3 ALA . . . -0.7 0.02 . . . . . . . . . . 5520 5 3 . . . 4 4 VAL . . . . . . 4 4 VAL . . . -0.0 0.05 . . . . . . . . . . 5520 5 4 . . . 5 5 SER . . . . . . 5 5 SER . . . 0.17 0.012 . . . . . . . . . . 5520 5 5 . . . 6 6 VAL . . . . . . 6 6 VAL . . . 0.39 0.027 . . . . . . . . . . 5520 5 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.63 0.044 . . . . . . . . . . 5520 5 7 . . . 8 8 CYS . . . . . . 8 8 CYS . . . 0.67 0.047 . . . . . . . . . . 5520 5 8 . . . 9 9 SER . . . . . . 9 9 SER . . . 0.63 0.044 . . . . . . . . . . 5520 5 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.66 0.046 . . . . . . . . . . 5520 5 10 . . . 11 11 TYR . . . . . . 11 11 TYR . . . 0.64 0.044 . . . . . . . . . . 5520 5 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.62 0.043 . . . . . . . . . . 5520 5 12 . . . 15 15 ALA . . . . . . 15 15 ALA . . . 0.53 0.037 . . . . . . . . . . 5520 5 13 . . . 16 16 CYS . . . . . . 16 16 CYS . . . 0.60 0.042 . . . . . . . . . . 5520 5 14 . . . 17 17 THR . . . . . . 17 17 THR . . . 0.38 0.027 . . . . . . . . . . 5520 5 15 . . . 18 18 LEU . . . . . . 18 18 LEU . . . -0.0 0.37 . . . . . . . . . . 5520 5 stop_ save_ save_heteronuclear_NOE_chain_2_600_pH39 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_2_600_pH39 _Heteronucl_NOE_list.Entry_ID 5520 _Heteronucl_NOE_list.ID 6 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _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_1 . 5520 6 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 . . . 2 2 TYR . . . . . . 2 2 TYR . . . 0.26 0.028 . . . . . . . . . . 5520 6 2 . . . 3 3 ARG . . . . . . 3 3 ARG . . . 0.44 0.030 . . . . . . . . . . 5520 6 3 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.69 0.048 . . . . . . . . . . 5520 6 4 . . . 6 6 CYS . . . . . . 6 6 CYS . . . 0.73 0.051 . . . . . . . . . . 5520 6 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.73 0.051 . . . . . . . . . . 5520 6 6 . . . 8 8 SER . . . . . . 8 8 SER . . . 0.70 0.049 . . . . . . . . . . 5520 6 7 . . . 9 9 ASP . . . . . . 9 9 ASP . . . 0.67 0.047 . . . . . . . . . . 5520 6 8 . . . 10 10 ASN . . . . . . 10 10 ASN . . . 0.67 0.047 . . . . . . . . . . 5520 6 9 . . . 11 11 LYS . . . . . . 11 11 LYS . . . 0.76 0.053 . . . . . . . . . . 5520 6 10 . . . 12 12 THR . . . . . . 12 12 THR . . . 0.73 0.051 . . . . . . . . . . 5520 6 11 . . . 13 13 TYR . . . . . . 13 13 TYR . . . 0.70 0.049 . . . . . . . . . . 5520 6 12 . . . 14 14 GLY . . . . . . 14 14 GLY . . . 0.70 0.049 . . . . . . . . . . 5520 6 13 . . . 15 15 ASN . . . . . . 15 15 ASN . . . 0.65 0.046 . . . . . . . . . . 5520 6 14 . . . 16 16 LYS . . . . . . 16 16 LYS . . . 0.68 0.048 . . . . . . . . . . 5520 6 15 . . . 17 17 CYS . . . . . . 17 17 CYS . . . 0.60 0.042 . . . . . . . . . . 5520 6 16 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.75 0.053 . . . . . . . . . . 5520 6 17 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.79 0.055 . . . . . . . . . . 5520 6 18 . . . 20 20 CYS . . . . . . 20 20 CYS . . . 0.72 0.050 . . . . . . . . . . 5520 6 19 . . . 21 21 ASN . . . . . . 21 21 ASN . . . 0.79 0.055 . . . . . . . . . . 5520 6 20 . . . 22 22 ALA . . . . . . 22 22 ALA . . . 0.70 0.049 . . . . . . . . . . 5520 6 21 . . . 23 23 VAL . . . . . . 23 23 VAL . . . 0.72 0.050 . . . . . . . . . . 5520 6 22 . . . 24 24 VAL . . . . . . 24 24 VAL . . . 0.66 0.046 . . . . . . . . . . 5520 6 23 . . . 25 25 GLU . . . . . . 25 25 GLU . . . 0.66 0.046 . . . . . . . . . . 5520 6 24 . . . 26 26 SER . . . . . . 26 26 SER . . . 0.71 0.050 . . . . . . . . . . 5520 6 25 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.73 0.051 . . . . . . . . . . 5520 6 26 . . . 28 28 GLY . . . . . . 28 28 GLY . . . 0.62 0.043 . . . . . . . . . . 5520 6 27 . . . 29 29 THR . . . . . . 29 29 THR . . . 0.70 0.049 . . . . . . . . . . 5520 6 28 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.68 0.047 . . . . . . . . . . 5520 6 29 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.76 0.053 . . . . . . . . . . 5520 6 30 . . . 32 32 LEU . . . . . . 32 32 LEU . . . 0.67 0.047 . . . . . . . . . . 5520 6 31 . . . 33 33 SER . . . . . . 33 33 SER . . . 0.67 0.047 . . . . . . . . . . 5520 6 32 . . . 34 34 HIS . . . . . . 34 34 HIS . . . 0.80 0.056 . . . . . . . . . . 5520 6 33 . . . 35 35 PHE . . . . . . 35 35 PHE . . . 0.74 0.052 . . . . . . . . . . 5520 6 34 . . . 36 36 GLY . . . . . . 36 36 GLY . . . 0.75 0.053 . . . . . . . . . . 5520 6 35 . . . 37 37 LYS . . . . . . 37 37 LYS . . . 0.61 0.042 . . . . . . . . . . 5520 6 36 . . . 38 38 CYS . . . . . . 38 38 CYS . . . 0.73 0.051 . . . . . . . . . . 5520 6 stop_ save_ save_heteronuclear_NOE_chain_1_750_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_1_750_pH6 _Heteronucl_NOE_list.Entry_ID 5520 _Heteronucl_NOE_list.ID 7 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _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_1 . 5520 7 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 . . . 2 2 ALA . . . . . . 2 2 ALA . . . -1.4 0.04 . . . . . . . . . . 5520 7 2 . . . 3 3 ALA . . . . . . 3 3 ALA . . . -0.6 0.01 . . . . . . . . . . 5520 7 3 . . . 4 4 VAL . . . . . . 4 4 VAL . . . -0.1 0.15 . . . . . . . . . . 5520 7 4 . . . 5 5 SER . . . . . . 5 5 SER . . . 0.42 0.229 . . . . . . . . . . 5520 7 5 . . . 6 6 VAL . . . . . . 6 6 VAL . . . 0.70 0.249 . . . . . . . . . . 5520 7 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.78 0.075 . . . . . . . . . . 5520 7 7 . . . 8 8 CYS . . . . . . 8 8 CYS . . . 0.73 0.051 . . . . . . . . . . 5520 7 8 . . . 9 9 SER . . . . . . 9 9 SER . . . 0.76 0.053 . . . . . . . . . . 5520 7 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.79 0.055 . . . . . . . . . . 5520 7 10 . . . 11 11 TYR . . . . . . 11 11 TYR . . . 0.75 0.052 . . . . . . . . . . 5520 7 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.77 0.054 . . . . . . . . . . 5520 7 12 . . . 15 15 ALA . . . . . . 15 15 ALA . . . 0.68 0.068 . . . . . . . . . . 5520 7 13 . . . 16 16 CYS . . . . . . 16 16 CYS . . . 0.74 0.051 . . . . . . . . . . 5520 7 14 . . . 17 17 THR . . . . . . 17 17 THR . . . 0.54 0.038 . . . . . . . . . . 5520 7 15 . . . 18 18 LEU . . . . . . 18 18 LEU . . . 0.30 0.081 . . . . . . . . . . 5520 7 stop_ save_ save_heteronuclear_NOE_chain_2_750_pH6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_2_750_pH6 _Heteronucl_NOE_list.Entry_ID 5520 _Heteronucl_NOE_list.ID 8 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _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_1 . 5520 8 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 . . . 2 2 TYR . . . . . . 2 2 TYR . . . 0.61 0.042 . . . . . . . . . . 5520 8 2 . . . 3 3 ARG . . . . . . 3 3 ARG . . . 0.64 0.045 . . . . . . . . . . 5520 8 3 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.72 0.050 . . . . . . . . . . 5520 8 4 . . . 6 6 CYS . . . . . . 6 6 CYS . . . 0.77 0.054 . . . . . . . . . . 5520 8 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.80 0.056 . . . . . . . . . . 5520 8 6 . . . 8 8 SER . . . . . . 8 8 SER . . . 0.83 0.058 . . . . . . . . . . 5520 8 7 . . . 9 9 ASP . . . . . . 9 9 ASP . . . 0.78 0.055 . . . . . . . . . . 5520 8 8 . . . 10 10 ASN . . . . . . 10 10 ASN . . . 0.77 0.054 . . . . . . . . . . 5520 8 9 . . . 11 11 LYS . . . . . . 11 11 LYS . . . 0.76 0.053 . . . . . . . . . . 5520 8 10 . . . 12 12 THR . . . . . . 12 12 THR . . . 0.76 0.053 . . . . . . . . . . 5520 8 11 . . . 13 13 TYR . . . . . . 13 13 TYR . . . 0.76 0.053 . . . . . . . . . . 5520 8 12 . . . 14 14 GLY . . . . . . 14 14 GLY . . . 0.74 0.052 . . . . . . . . . . 5520 8 13 . . . 15 15 ASN . . . . . . 15 15 ASN . . . 0.80 0.056 . . . . . . . . . . 5520 8 14 . . . 16 16 LYS . . . . . . 16 16 LYS . . . 0.79 0.055 . . . . . . . . . . 5520 8 15 . . . 17 17 CYS . . . . . . 17 17 CYS . . . 0.80 0.056 . . . . . . . . . . 5520 8 16 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.80 0.056 . . . . . . . . . . 5520 8 17 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.77 0.054 . . . . . . . . . . 5520 8 18 . . . 20 20 CYS . . . . . . 20 20 CYS . . . 0.81 0.057 . . . . . . . . . . 5520 8 19 . . . 21 21 ASN . . . . . . 21 21 ASN . . . 0.78 0.054 . . . . . . . . . . 5520 8 20 . . . 22 22 ALA . . . . . . 22 22 ALA . . . 0.86 0.060 . . . . . . . . . . 5520 8 21 . . . 23 23 VAL . . . . . . 23 23 VAL . . . 0.79 0.055 . . . . . . . . . . 5520 8 22 . . . 24 24 VAL . . . . . . 24 24 VAL . . . 0.81 0.057 . . . . . . . . . . 5520 8 23 . . . 25 25 GLU . . . . . . 25 25 GLU . . . 0.77 0.054 . . . . . . . . . . 5520 8 24 . . . 26 26 SER . . . . . . 26 26 SER . . . 0.76 0.053 . . . . . . . . . . 5520 8 25 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.71 0.050 . . . . . . . . . . 5520 8 26 . . . 28 28 GLY . . . . . . 28 28 GLY . . . 0.67 0.047 . . . . . . . . . . 5520 8 27 . . . 29 29 THR . . . . . . 29 29 THR . . . 0.75 0.052 . . . . . . . . . . 5520 8 28 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.77 0.054 . . . . . . . . . . 5520 8 29 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.82 0.057 . . . . . . . . . . 5520 8 30 . . . 32 32 LEU . . . . . . 32 32 LEU . . . 0.76 0.053 . . . . . . . . . . 5520 8 31 . . . 33 33 SER . . . . . . 33 33 SER . . . 0.76 0.053 . . . . . . . . . . 5520 8 32 . . . 34 34 HIS . . . . . . 34 34 HIS . . . 0.79 0.055 . . . . . . . . . . 5520 8 33 . . . 35 35 PHE . . . . . . 35 35 PHE . . . 0.82 0.057 . . . . . . . . . . 5520 8 34 . . . 36 36 GLY . . . . . . 36 36 GLY . . . 0.76 0.053 . . . . . . . . . . 5520 8 35 . . . 37 37 LYS . . . . . . 37 37 LYS . . . 0.84 0.059 . . . . . . . . . . 5520 8 36 . . . 38 38 CYS . . . . . . 38 38 CYS . . . 0.80 0.056 . . . . . . . . . . 5520 8 stop_ save_ save_heteronuclear_NOE_chain_1_750_pH39 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_1_750_pH39 _Heteronucl_NOE_list.Entry_ID 5520 _Heteronucl_NOE_list.ID 9 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _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_1 . 5520 9 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 . . . 2 2 ALA . . . . . . 2 2 ALA . . . -1.1 0.03 . . . . . . . . . . 5520 9 2 . . . 3 3 ALA . . . . . . 3 3 ALA . . . -0.5 0.01 . . . . . . . . . . 5520 9 3 . . . 4 4 VAL . . . . . . 4 4 VAL . . . -0.1 0.05 . . . . . . . . . . 5520 9 4 . . . 5 5 SER . . . . . . 5 5 SER . . . 0.46 0.032 . . . . . . . . . . 5520 9 5 . . . 6 6 VAL . . . . . . 6 6 VAL . . . 0.63 0.044 . . . . . . . . . . 5520 9 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.72 0.051 . . . . . . . . . . 5520 9 7 . . . 8 8 CYS . . . . . . 8 8 CYS . . . 0.73 0.051 . . . . . . . . . . 5520 9 8 . . . 9 9 SER . . . . . . 9 9 SER . . . 0.72 0.050 . . . . . . . . . . 5520 9 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.79 0.055 . . . . . . . . . . 5520 9 10 . . . 11 11 TYR . . . . . . 11 11 TYR . . . 0.76 0.053 . . . . . . . . . . 5520 9 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.82 0.057 . . . . . . . . . . 5520 9 12 . . . 15 15 ALA . . . . . . 15 15 ALA . . . 0.73 0.051 . . . . . . . . . . 5520 9 13 . . . 16 16 CYS . . . . . . 16 16 CYS . . . 0.75 0.053 . . . . . . . . . . 5520 9 14 . . . 17 17 THR . . . . . . 17 17 THR . . . 0.54 0.038 . . . . . . . . . . 5520 9 15 . . . 18 18 LEU . . . . . . 18 18 LEU . . . 0.01 0.043 . . . . . . . . . . 5520 9 stop_ save_ save_heteronuclear_NOE_chain_2_750_pH39 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_chain_2_750_pH39 _Heteronucl_NOE_list.Entry_ID 5520 _Heteronucl_NOE_list.ID 10 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _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_1 . 5520 10 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 . . . 2 2 TYR . . . . . . 2 2 TYR . . . 0.51 0.045 . . . . . . . . . . 5520 10 2 . . . 3 3 ARG . . . . . . 3 3 ARG . . . 0.60 0.042 . . . . . . . . . . 5520 10 3 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.69 0.048 . . . . . . . . . . 5520 10 4 . . . 6 6 CYS . . . . . . 6 6 CYS . . . 0.80 0.056 . . . . . . . . . . 5520 10 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.79 0.055 . . . . . . . . . . 5520 10 6 . . . 8 8 SER . . . . . . 8 8 SER . . . 0.80 0.056 . . . . . . . . . . 5520 10 7 . . . 9 9 ASP . . . . . . 9 9 ASP . . . 0.80 0.056 . . . . . . . . . . 5520 10 8 . . . 10 10 ASN . . . . . . 10 10 ASN . . . 0.74 0.051 . . . . . . . . . . 5520 10 9 . . . 11 11 LYS . . . . . . 11 11 LYS . . . 0.78 0.055 . . . . . . . . . . 5520 10 10 . . . 12 12 THR . . . . . . 12 12 THR . . . 0.85 0.059 . . . . . . . . . . 5520 10 11 . . . 13 13 TYR . . . . . . 13 13 TYR . . . 0.81 0.057 . . . . . . . . . . 5520 10 12 . . . 14 14 GLY . . . . . . 14 14 GLY . . . 0.78 0.054 . . . . . . . . . . 5520 10 13 . . . 15 15 ASN . . . . . . 15 15 ASN . . . 0.83 0.058 . . . . . . . . . . 5520 10 14 . . . 16 16 LYS . . . . . . 16 16 LYS . . . 0.70 0.049 . . . . . . . . . . 5520 10 15 . . . 17 17 CYS . . . . . . 17 17 CYS . . . 0.85 0.060 . . . . . . . . . . 5520 10 16 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.84 0.058 . . . . . . . . . . 5520 10 17 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.83 0.058 . . . . . . . . . . 5520 10 18 . . . 20 20 CYS . . . . . . 20 20 CYS . . . 0.83 0.058 . . . . . . . . . . 5520 10 19 . . . 21 21 ASN . . . . . . 21 21 ASN . . . 0.76 0.053 . . . . . . . . . . 5520 10 20 . . . 22 22 ALA . . . . . . 22 22 ALA . . . 0.80 0.056 . . . . . . . . . . 5520 10 21 . . . 23 23 VAL . . . . . . 23 23 VAL . . . 0.87 0.061 . . . . . . . . . . 5520 10 22 . . . 24 24 VAL . . . . . . 24 24 VAL . . . 0.86 0.060 . . . . . . . . . . 5520 10 23 . . . 25 25 GLU . . . . . . 25 25 GLU . . . 0.85 0.060 . . . . . . . . . . 5520 10 24 . . . 26 26 SER . . . . . . 26 26 SER . . . 0.78 0.054 . . . . . . . . . . 5520 10 25 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.76 0.053 . . . . . . . . . . 5520 10 26 . . . 28 28 GLY . . . . . . 28 28 GLY . . . 0.71 0.050 . . . . . . . . . . 5520 10 27 . . . 29 29 THR . . . . . . 29 29 THR . . . 0.71 0.050 . . . . . . . . . . 5520 10 28 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.84 0.059 . . . . . . . . . . 5520 10 29 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.81 0.057 . . . . . . . . . . 5520 10 30 . . . 32 32 LEU . . . . . . 32 32 LEU . . . 0.79 0.055 . . . . . . . . . . 5520 10 31 . . . 33 33 SER . . . . . . 33 33 SER . . . 0.74 0.052 . . . . . . . . . . 5520 10 32 . . . 34 34 HIS . . . . . . 34 34 HIS . . . 0.83 0.058 . . . . . . . . . . 5520 10 33 . . . 35 35 PHE . . . . . . 35 35 PHE . . . 0.80 0.056 . . . . . . . . . . 5520 10 34 . . . 36 36 GLY . . . . . . 36 36 GLY . . . 0.79 0.055 . . . . . . . . . . 5520 10 35 . . . 37 37 LYS . . . . . . 37 37 LYS . . . 0.93 0.065 . . . . . . . . . . 5520 10 36 . . . 38 38 CYS . . . . . . 38 38 CYS . . . 0.88 0.062 . . . . . . . . . . 5520 10 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_relaxation_chain_1_500_pH6 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_chain_1_500_pH6 _Heteronucl_T1_list.Entry_ID 5520 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $Sample_1 . 5520 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N . . 1.111 0.077 . . . . . 5520 1 2 . 1 1 3 3 ALA N . . 0.806 0.055 . . . . . 5520 1 3 . 1 1 4 4 VAL N . . 0.641 0.044 . . . . . 5520 1 4 . 1 1 5 5 SER N . . 0.5 0.035 . . . . . 5520 1 5 . 1 1 6 6 VAL N . . 0.432 0.030 . . . . . 5520 1 6 . 1 1 7 7 ASP N . . 0.395 0.027 . . . . . 5520 1 7 . 1 1 8 8 CYS N . . 0.395 0.027 . . . . . 5520 1 8 . 1 1 9 9 SER N . . 0.363 0.025 . . . . . 5520 1 9 . 1 1 10 10 GLU N . . 0.374 0.026 . . . . . 5520 1 10 . 1 1 11 11 TYR N . . 0.409 0.028 . . . . . 5520 1 11 . 1 1 13 13 LYS N . . 0.378 0.026 . . . . . 5520 1 12 . 1 1 15 15 ALA N . . 0.431 0.030 . . . . . 5520 1 13 . 1 1 16 16 CYS N . . 0.396 0.027 . . . . . 5520 1 14 . 1 1 17 17 THR N . . 0.480 0.038 . . . . . 5520 1 15 . 1 1 18 18 LEU N . . 0.591 0.051 . . . . . 5520 1 stop_ save_ save_T1_relaxation_chain_2_500_pH6 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_chain_2_500_pH6 _Heteronucl_T1_list.Entry_ID 5520 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $Sample_1 . 5520 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 2 2 2 2 TYR N . . 0.416 0.035 . . . . . 5520 2 2 . 2 2 3 3 ARG N . . 0.395 0.027 . . . . . 5520 2 3 . 2 2 5 5 LEU N . . 0.366 0.025 . . . . . 5520 2 4 . 2 2 6 6 CYS N . . 0.374 0.026 . . . . . 5520 2 5 . 2 2 7 7 GLY N . . 0.362 0.025 . . . . . 5520 2 6 . 2 2 8 8 SER N . . 0.366 0.025 . . . . . 5520 2 7 . 2 2 9 9 ASP N . . 0.340 0.023 . . . . . 5520 2 8 . 2 2 10 10 ASN N . . 0.363 0.025 . . . . . 5520 2 9 . 2 2 11 11 LYS N . . 0.355 0.024 . . . . . 5520 2 10 . 2 2 12 12 THR N . . 0.375 0.026 . . . . . 5520 2 11 . 2 2 13 13 TYR N . . 0.362 0.025 . . . . . 5520 2 12 . 2 2 14 14 GLY N . . 0.373 0.026 . . . . . 5520 2 13 . 2 2 15 15 ASN N . . 0.378 0.026 . . . . . 5520 2 14 . 2 2 16 16 LYS N . . 0.354 0.024 . . . . . 5520 2 15 . 2 2 17 17 CYS N . . 0.378 0.026 . . . . . 5520 2 16 . 2 2 18 18 ASN N . . 0.362 0.025 . . . . . 5520 2 17 . 2 2 19 19 PHE N . . 0.353 0.024 . . . . . 5520 2 18 . 2 2 20 20 CYS N . . 0.359 0.025 . . . . . 5520 2 19 . 2 2 21 21 ASN N . . 0.358 0.025 . . . . . 5520 2 20 . 2 2 22 22 ALA N . . 0.369 0.025 . . . . . 5520 2 21 . 2 2 23 23 VAL N . . 0.369 0.025 . . . . . 5520 2 22 . 2 2 24 24 VAL N . . 0.371 0.025 . . . . . 5520 2 23 . 2 2 25 25 GLU N . . 0.378 0.026 . . . . . 5520 2 24 . 2 2 26 26 SER N . . 0.392 0.027 . . . . . 5520 2 25 . 2 2 27 27 ASN N . . 0.364 0.025 . . . . . 5520 2 26 . 2 2 28 28 GLY N . . 0.416 0.029 . . . . . 5520 2 27 . 2 2 29 29 THR N . . 0.418 0.029 . . . . . 5520 2 28 . 2 2 30 30 LEU N . . 0.409 0.028 . . . . . 5520 2 29 . 2 2 31 31 THR N . . 0.374 0.026 . . . . . 5520 2 30 . 2 2 32 32 LEU N . . 0.389 0.027 . . . . . 5520 2 31 . 2 2 33 33 SER N . . 0.371 0.025 . . . . . 5520 2 32 . 2 2 34 34 HIS N . . 0.383 0.026 . . . . . 5520 2 33 . 2 2 35 35 PHE N . . 0.363 0.025 . . . . . 5520 2 34 . 2 2 36 36 GLY N . . 0.363 0.025 . . . . . 5520 2 35 . 2 2 37 37 LYS N . . 0.411 0.028 . . . . . 5520 2 36 . 2 2 38 38 CYS N . . 0.378 0.026 . . . . . 5520 2 stop_ save_ save_T1_relaxation_chain_1_600_pH6 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_chain_1_600_pH6 _Heteronucl_T1_list.Entry_ID 5520 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $Sample_1 . 5520 3 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N . . 1.388 0.326 . . . . . 5520 3 2 . 1 1 3 3 ALA N . . 0.961 0.067 . . . . . 5520 3 3 . 1 1 4 4 VAL N . . 0.763 0.053 . . . . . 5520 3 4 . 1 1 5 5 SER N . . 0.591 0.041 . . . . . 5520 3 5 . 1 1 6 6 VAL N . . 0.561 0.039 . . . . . 5520 3 6 . 1 1 7 7 ASP N . . 0.540 0.037 . . . . . 5520 3 7 . 1 1 8 8 CYS N . . 0.485 0.033 . . . . . 5520 3 8 . 1 1 9 9 SER N . . 0.418 0.029 . . . . . 5520 3 9 . 1 1 10 10 GLU N . . 0.452 0.031 . . . . . 5520 3 10 . 1 1 11 11 TYR N . . 0.518 0.036 . . . . . 5520 3 11 . 1 1 13 13 LYS N . . 0.476 0.033 . . . . . 5520 3 12 . 1 1 15 15 ALA N . . 0.520 0.036 . . . . . 5520 3 13 . 1 1 16 16 CYS N . . 0.534 0.037 . . . . . 5520 3 14 . 1 1 17 17 THR N . . 0.617 0.081 . . . . . 5520 3 15 . 1 1 18 18 LEU N . . 0.740 0.068 . . . . . 5520 3 stop_ save_ save_T1_relaxation_chain_2_600_pH6 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_chain_2_600_pH6 _Heteronucl_T1_list.Entry_ID 5520 _Heteronucl_T1_list.ID 4 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $Sample_1 . 5520 4 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 . 2 2 2 2 TYR N . . 0.549 0.159 . . . . . 5520 4 2 . 2 2 3 3 ARG N . . 0.462 0.032 . . . . . 5520 4 3 . 2 2 5 5 LEU N . . 0.467 0.032 . . . . . 5520 4 4 . 2 2 6 6 CYS N . . 0.460 0.032 . . . . . 5520 4 5 . 2 2 7 7 GLY N . . 0.440 0.030 . . . . . 5520 4 6 . 2 2 8 8 SER N . . 0.409 0.028 . . . . . 5520 4 7 . 2 2 9 9 ASP N . . 0.429 0.030 . . . . . 5520 4 8 . 2 2 10 10 ASN N . . 0.421 0.029 . . . . . 5520 4 9 . 2 2 11 11 LYS N . . 0.456 0.031 . . . . . 5520 4 10 . 2 2 12 12 THR N . . 0.480 0.033 . . . . . 5520 4 11 . 2 2 13 13 TYR N . . 0.487 0.034 . . . . . 5520 4 12 . 2 2 14 14 GLY N . . 0.444 0.031 . . . . . 5520 4 13 . 2 2 15 15 ASN N . . 0.467 0.032 . . . . . 5520 4 14 . 2 2 16 16 LYS N . . 0.429 0.030 . . . . . 5520 4 15 . 2 2 17 17 CYS N . . 0.465 0.032 . . . . . 5520 4 16 . 2 2 18 18 ASN N . . 0.411 0.028 . . . . . 5520 4 17 . 2 2 19 19 PHE N . . 0.421 0.029 . . . . . 5520 4 18 . 2 2 20 20 CYS N . . 0.431 0.030 . . . . . 5520 4 19 . 2 2 21 21 ASN N . . 0.411 0.028 . . . . . 5520 4 20 . 2 2 22 22 ALA N . . 0.429 0.030 . . . . . 5520 4 21 . 2 2 23 23 VAL N . . 0.471 0.032 . . . . . 5520 4 22 . 2 2 24 24 VAL N . . 0.456 0.031 . . . . . 5520 4 23 . 2 2 25 25 GLU N . . 0.452 0.031 . . . . . 5520 4 24 . 2 2 26 26 SER N . . 0.462 0.032 . . . . . 5520 4 25 . 2 2 27 27 ASN N . . 0.436 0.030 . . . . . 5520 4 26 . 2 2 28 28 GLY N . . 0.490 0.034 . . . . . 5520 4 27 . 2 2 29 29 THR N . . 0.495 0.034 . . . . . 5520 4 28 . 2 2 30 30 LEU N . . 0.490 0.034 . . . . . 5520 4 29 . 2 2 31 31 THR N . . 0.429 0.030 . . . . . 5520 4 30 . 2 2 32 32 LEU N . . 0.448 0.031 . . . . . 5520 4 31 . 2 2 33 33 SER N . . 0.454 0.031 . . . . . 5520 4 32 . 2 2 34 34 HIS N . . 0.469 0.032 . . . . . 5520 4 33 . 2 2 35 35 PHE N . . 0.438 0.030 . . . . . 5520 4 34 . 2 2 36 36 GLY N . . 0.452 0.031 . . . . . 5520 4 35 . 2 2 37 37 LYS N . . 0.485 0.033 . . . . . 5520 4 36 . 2 2 38 38 CYS N . . 0.429 0.030 . . . . . 5520 4 stop_ save_ save_T1_relaxation_chain_1_600_pH39 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_chain_1_600_pH39 _Heteronucl_T1_list.Entry_ID 5520 _Heteronucl_T1_list.ID 5 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $Sample_1 . 5520 5 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N . . 1.204 0.084 . . . . . 5520 5 2 . 1 1 3 3 ALA N . . 1.041 0.072 . . . . . 5520 5 3 . 1 1 4 4 VAL N . . 0.833 0.058 . . . . . 5520 5 4 . 1 1 5 5 SER N . . 0.625 0.044 . . . . . 5520 5 5 . 1 1 6 6 VAL N . . 0.561 0.039 . . . . . 5520 5 6 . 1 1 7 7 ASP N . . 0.471 0.032 . . . . . 5520 5 7 . 1 1 8 8 CYS N . . 0.505 0.035 . . . . . 5520 5 8 . 1 1 9 9 SER N . . 0.456 0.031 . . . . . 5520 5 9 . 1 1 10 10 GLU N . . 0.456 0.031 . . . . . 5520 5 10 . 1 1 11 11 TYR N . . 0.507 0.035 . . . . . 5520 5 11 . 1 1 13 13 LYS N . . 0.469 0.032 . . . . . 5520 5 12 . 1 1 15 15 ALA N . . 0.518 0.036 . . . . . 5520 5 13 . 1 1 16 16 CYS N . . 0.546 0.038 . . . . . 5520 5 14 . 1 1 17 17 THR N . . 0.606 0.042 . . . . . 5520 5 15 . 1 1 18 18 LEU N . . 0.724 0.050 . . . . . 5520 5 stop_ save_ save_T1_relaxation_chain_2_600_pH39 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_chain_2_600_pH39 _Heteronucl_T1_list.Entry_ID 5520 _Heteronucl_T1_list.ID 6 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $Sample_1 . 5520 6 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 . 2 2 2 2 TYR N . . 0.581 0.040 . . . . . 5520 6 2 . 2 2 3 3 ARG N . . 0.480 0.027 . . . . . 5520 6 3 . 2 2 5 5 LEU N . . 0.440 0.030 . . . . . 5520 6 4 . 2 2 6 6 CYS N . . 0.448 0.031 . . . . . 5520 6 5 . 2 2 7 7 GLY N . . 0.427 0.029 . . . . . 5520 6 6 . 2 2 8 8 SER N . . 0.418 0.029 . . . . . 5520 6 7 . 2 2 9 9 ASP N . . 0.396 0.027 . . . . . 5520 6 8 . 2 2 10 10 ASN N . . 0.416 0.029 . . . . . 5520 6 9 . 2 2 11 11 LYS N . . 0.442 0.030 . . . . . 5520 6 10 . 2 2 12 12 THR N . . 0.465 0.032 . . . . . 5520 6 11 . 2 2 13 13 TYR N . . 0.448 0.031 . . . . . 5520 6 12 . 2 2 14 14 GLY N . . 0.434 0.030 . . . . . 5520 6 13 . 2 2 15 15 ASN N . . 0.421 0.029 . . . . . 5520 6 14 . 2 2 16 16 LYS N . . 0.420 0.029 . . . . . 5520 6 15 . 2 2 17 17 CYS N . . 0.442 0.030 . . . . . 5520 6 16 . 2 2 18 18 ASN N . . 0.406 0.028 . . . . . 5520 6 17 . 2 2 19 19 PHE N . . 0.409 0.028 . . . . . 5520 6 18 . 2 2 20 20 CYS N . . 0.418 0.029 . . . . . 5520 6 19 . 2 2 21 21 ASN N . . 0.406 0.028 . . . . . 5520 6 20 . 2 2 22 22 ALA N . . 0.416 0.029 . . . . . 5520 6 21 . 2 2 23 23 VAL N . . 0.416 0.029 . . . . . 5520 6 22 . 2 2 24 24 VAL N . . 0.421 0.029 . . . . . 5520 6 23 . 2 2 25 25 GLU N . . 0.436 0.030 . . . . . 5520 6 24 . 2 2 26 26 SER N . . 0.458 0.032 . . . . . 5520 6 25 . 2 2 27 27 ASN N . . 0.432 0.030 . . . . . 5520 6 26 . 2 2 28 28 GLY N . . 0.492 0.034 . . . . . 5520 6 27 . 2 2 29 29 THR N . . 0.480 0.033 . . . . . 5520 6 28 . 2 2 30 30 LEU N . . 0.480 0.033 . . . . . 5520 6 29 . 2 2 31 31 THR N . . 0.434 0.030 . . . . . 5520 6 30 . 2 2 32 32 LEU N . . 0.442 0.030 . . . . . 5520 6 31 . 2 2 33 33 SER N . . 0.446 0.031 . . . . . 5520 6 32 . 2 2 34 34 HIS N . . 0.431 0.030 . . . . . 5520 6 33 . 2 2 35 35 PHE N . . 0.446 0.031 . . . . . 5520 6 34 . 2 2 36 36 GLY N . . 0.431 0.030 . . . . . 5520 6 35 . 2 2 37 37 LYS N . . 0.444 0.031 . . . . . 5520 6 36 . 2 2 38 38 CYS N . . 0.423 0.029 . . . . . 5520 6 stop_ save_ save_T1_relaxation_chain_1_750_pH6 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_chain_1_750_pH6 _Heteronucl_T1_list.Entry_ID 5520 _Heteronucl_T1_list.ID 7 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $Sample_1 . 5520 7 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N . . 0.990 0.264 . . . . . 5520 7 2 . 1 1 3 3 ALA N . . 0.900 0.099 . . . . . 5520 7 3 . 1 1 4 4 VAL N . . 0.862 0.068 . . . . . 5520 7 4 . 1 1 5 5 SER N . . 0.625 0.045 . . . . . 5520 7 5 . 1 1 6 6 VAL N . . 0.595 0.041 . . . . . 5520 7 6 . 1 1 7 7 ASP N . . 0.549 0.068 . . . . . 5520 7 7 . 1 1 8 8 CYS N . . 0.505 0.035 . . . . . 5520 7 8 . 1 1 9 9 SER N . . 0.467 0.042 . . . . . 5520 7 9 . 1 1 10 10 GLU N . . 0.5 0.035 . . . . . 5520 7 10 . 1 1 11 11 TYR N . . 0.555 0.038 . . . . . 5520 7 11 . 1 1 13 13 LYS N . . 0.529 0.036 . . . . . 5520 7 12 . 1 1 15 15 ALA N . . 0.568 0.057 . . . . . 5520 7 13 . 1 1 16 16 CYS N . . 0.450 0.031 . . . . . 5520 7 14 . 1 1 17 17 THR N . . 0.625 0.101 . . . . . 5520 7 15 . 1 1 18 18 LEU N . . 0.757 0.072 . . . . . 5520 7 stop_ save_ save_T1_relaxation_chain_2_750_pH6 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_chain_2_750_pH6 _Heteronucl_T1_list.Entry_ID 5520 _Heteronucl_T1_list.ID 8 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $Sample_1 . 5520 8 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 . 2 2 2 2 TYR N . . 0.529 0.062 . . . . . 5520 8 2 . 2 2 3 3 ARG N . . 0.531 0.037 . . . . . 5520 8 3 . 2 2 5 5 LEU N . . 0.546 0.038 . . . . . 5520 8 4 . 2 2 6 6 CYS N . . 0.555 0.038 . . . . . 5520 8 5 . 2 2 7 7 GLY N . . 0.487 0.034 . . . . . 5520 8 6 . 2 2 8 8 SER N . . 0.460 0.032 . . . . . 5520 8 7 . 2 2 9 9 ASP N . . 0.478 0.033 . . . . . 5520 8 8 . 2 2 10 10 ASN N . . 0.480 0.033 . . . . . 5520 8 9 . 2 2 11 11 LYS N . . 0.531 0.037 . . . . . 5520 8 10 . 2 2 12 12 THR N . . 0.558 0.039 . . . . . 5520 8 11 . 2 2 13 13 TYR N . . 0.571 0.039 . . . . . 5520 8 12 . 2 2 14 14 GLY N . . 0.483 0.033 . . . . . 5520 8 13 . 2 2 15 15 ASN N . . 0.434 0.030 . . . . . 5520 8 14 . 2 2 16 16 LYS N . . 0.361 0.025 . . . . . 5520 8 15 . 2 2 17 17 CYS N . . 0.478 0.035 . . . . . 5520 8 16 . 2 2 18 18 ASN N . . 0.510 0.035 . . . . . 5520 8 17 . 2 2 19 19 PHE N . . 0.497 0.034 . . . . . 5520 8 18 . 2 2 20 20 CYS N . . 0.473 0.033 . . . . . 5520 8 19 . 2 2 21 21 ASN N . . 0.440 0.030 . . . . . 5520 8 20 . 2 2 22 22 ALA N . . 0.526 0.036 . . . . . 5520 8 21 . 2 2 23 23 VAL N . . 0.518 0.036 . . . . . 5520 8 22 . 2 2 24 24 VAL N . . 0.485 0.033 . . . . . 5520 8 23 . 2 2 25 25 GLU N . . 0.512 0.055 . . . . . 5520 8 24 . 2 2 26 26 SER N . . 0.473 0.033 . . . . . 5520 8 25 . 2 2 27 27 ASN N . . 0.452 0.031 . . . . . 5520 8 26 . 2 2 28 28 GLY N . . 0.529 0.036 . . . . . 5520 8 27 . 2 2 29 29 THR N . . 0.507 0.035 . . . . . 5520 8 28 . 2 2 30 30 LEU N . . 0.543 0.038 . . . . . 5520 8 29 . 2 2 31 31 THR N . . 0.490 0.034 . . . . . 5520 8 30 . 2 2 32 32 LEU N . . 0.505 0.035 . . . . . 5520 8 31 . 2 2 33 33 SER N . . 0.531 0.037 . . . . . 5520 8 32 . 2 2 34 34 HIS N . . 0.476 0.034 . . . . . 5520 8 33 . 2 2 35 35 PHE N . . 0.473 0.033 . . . . . 5520 8 34 . 2 2 36 36 GLY N . . 0.526 0.036 . . . . . 5520 8 35 . 2 2 37 37 LYS N . . 0.546 0.038 . . . . . 5520 8 36 . 2 2 38 38 CYS N . . 0.523 0.036 . . . . . 5520 8 stop_ save_ save_T1_relaxation_chain_1_750_pH39 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_chain_1_750_pH39 _Heteronucl_T1_list.Entry_ID 5520 _Heteronucl_T1_list.ID 9 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $Sample_1 . 5520 9 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N . . 1.25 0.123 . . . . . 5520 9 2 . 1 1 3 3 ALA N . . 1.098 0.084 . . . . . 5520 9 3 . 1 1 4 4 VAL N . . 0.862 0.060 . . . . . 5520 9 4 . 1 1 5 5 SER N . . 0.699 0.048 . . . . . 5520 9 5 . 1 1 6 6 VAL N . . 0.653 0.045 . . . . . 5520 9 6 . 1 1 7 7 ASP N . . 0.578 0.040 . . . . . 5520 9 7 . 1 1 8 8 CYS N . . 0.625 0.060 . . . . . 5520 9 8 . 1 1 9 9 SER N . . 0.534 0.049 . . . . . 5520 9 9 . 1 1 10 10 GLU N . . 0.549 0.038 . . . . . 5520 9 10 . 1 1 11 11 TYR N . . 0.609 0.042 . . . . . 5520 9 11 . 1 1 13 13 LYS N . . 0.571 0.039 . . . . . 5520 9 12 . 1 1 15 15 ALA N . . 0.625 0.043 . . . . . 5520 9 13 . 1 1 16 16 CYS N . . 0.671 0.051 . . . . . 5520 9 14 . 1 1 17 17 THR N . . 0.680 0.047 . . . . . 5520 9 15 . 1 1 18 18 LEU N . . 0.8 0.057 . . . . . 5520 9 stop_ save_ save_T1_relaxation_chain_2_750_pH39 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_chain_2_750_pH39 _Heteronucl_T1_list.Entry_ID 5520 _Heteronucl_T1_list.ID 10 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $Sample_1 . 5520 10 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 . 2 2 2 2 TYR N . . 0.675 0.056 . . . . . 5520 10 2 . 2 2 3 3 ARG N . . 0.578 0.030 . . . . . 5520 10 3 . 2 2 5 5 LEU N . . 0.526 0.041 . . . . . 5520 10 4 . 2 2 6 6 CYS N . . 0.568 0.039 . . . . . 5520 10 5 . 2 2 7 7 GLY N . . 0.529 0.046 . . . . . 5520 10 6 . 2 2 8 8 SER N . . 0.515 0.038 . . . . . 5520 10 7 . 2 2 9 9 ASP N . . 0.467 0.032 . . . . . 5520 10 8 . 2 2 10 10 ASN N . . 0.515 0.036 . . . . . 5520 10 9 . 2 2 11 11 LYS N . . 0.526 0.036 . . . . . 5520 10 10 . 2 2 12 12 THR N . . 0.549 0.038 . . . . . 5520 10 11 . 2 2 13 13 TYR N . . 0.568 0.039 . . . . . 5520 10 12 . 2 2 14 14 GLY N . . 0.546 0.038 . . . . . 5520 10 13 . 2 2 15 15 ASN N . . 0.492 0.034 . . . . . 5520 10 14 . 2 2 16 16 LYS N . . 0.515 0.038 . . . . . 5520 10 15 . 2 2 17 17 CYS N . . 0.529 0.036 . . . . . 5520 10 16 . 2 2 18 18 ASN N . . 0.510 0.046 . . . . . 5520 10 17 . 2 2 19 19 PHE N . . 0.518 0.036 . . . . . 5520 10 18 . 2 2 20 20 CYS N . . 0.520 0.043 . . . . . 5520 10 19 . 2 2 21 21 ASN N . . 0.492 0.034 . . . . . 5520 10 20 . 2 2 22 22 ALA N . . 0.510 0.046 . . . . . 5520 10 21 . 2 2 23 23 VAL N . . 0.526 0.045 . . . . . 5520 10 22 . 2 2 24 24 VAL N . . 0.515 0.036 . . . . . 5520 10 23 . 2 2 25 25 GLU N . . 0.518 0.036 . . . . . 5520 10 24 . 2 2 26 26 SER N . . 0.549 0.049 . . . . . 5520 10 25 . 2 2 27 27 ASN N . . 0.523 0.038 . . . . . 5520 10 26 . 2 2 28 28 GLY N . . 0.588 0.050 . . . . . 5520 10 27 . 2 2 29 29 THR N . . 0.578 0.040 . . . . . 5520 10 28 . 2 2 30 30 LEU N . . 0.552 0.058 . . . . . 5520 10 29 . 2 2 31 31 THR N . . 0.505 0.035 . . . . . 5520 10 30 . 2 2 32 32 LEU N . . 0.543 0.038 . . . . . 5520 10 31 . 2 2 33 33 SER N . . 0.529 0.046 . . . . . 5520 10 32 . 2 2 34 34 HIS N . . 0.568 0.039 . . . . . 5520 10 33 . 2 2 35 35 PHE N . . 0.564 0.049 . . . . . 5520 10 34 . 2 2 36 36 GLY N . . 0.531 0.037 . . . . . 5520 10 35 . 2 2 37 37 LYS N . . 0.564 0.039 . . . . . 5520 10 36 . 2 2 38 38 CYS N . . 0.531 0.037 . . . . . 5520 10 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_15N_T2_chain_1_500_pH6 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_chain_1_500_pH6 _Heteronucl_T2_list.Entry_ID 5520 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_1 _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 Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $Sample_1 . 5520 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N . . 0.398 0.029 . . . . . . . 5520 1 2 . 1 1 3 3 ALA N . . 0.454 0.032 . . . . . . . 5520 1 3 . 1 1 4 4 VAL N . . 0.458 0.039 . . . . . . . 5520 1 4 . 1 1 5 5 SER N . . 0.308 0.022 . . . . . . . 5520 1 5 . 1 1 6 6 VAL N . . 0.255 0.018 . . . . . . . 5520 1 6 . 1 1 7 7 ASP N . . 0.182 0.016 . . . . . . . 5520 1 7 . 1 1 8 8 CYS N . . 0.186 0.013 . . . . . . . 5520 1 8 . 1 1 9 9 SER N . . 0.178 0.012 . . . . . . . 5520 1 9 . 1 1 10 10 GLU N . . 0.139 0.009 . . . . . . . 5520 1 10 . 1 1 11 11 TYR N . . 0.183 0.012 . . . . . . . 5520 1 11 . 1 1 13 13 LYS N . . 0.207 0.014 . . . . . . . 5520 1 12 . 1 1 15 15 ALA N . . 0.160 0.016 . . . . . . . 5520 1 13 . 1 1 16 16 CYS N . . 0.337 0.040 . . . . . . . 5520 1 14 . 1 1 17 17 THR N . . 0.250 0.024 . . . . . . . 5520 1 15 . 1 1 18 18 LEU N . . 0.431 0.050 . . . . . . . 5520 1 stop_ save_ save_15N_T2_chain_2_500_pH6 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_chain_2_500_pH6 _Heteronucl_T2_list.Entry_ID 5520 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_1 _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 Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $Sample_1 . 5520 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 2 2 2 2 TYR N . . 0.224 0.032 . . . . . . . 5520 2 2 . 2 2 3 3 ARG N . . 0.230 0.016 . . . . . . . 5520 2 3 . 2 2 5 5 LEU N . . 0.187 0.013 . . . . . . . 5520 2 4 . 2 2 6 6 CYS N . . 0.195 0.013 . . . . . . . 5520 2 5 . 2 2 7 7 GLY N . . 0.186 0.013 . . . . . . . 5520 2 6 . 2 2 8 8 SER N . . 0.179 0.012 . . . . . . . 5520 2 7 . 2 2 9 9 ASP N . . 0.173 0.012 . . . . . . . 5520 2 8 . 2 2 10 10 ASN N . . 0.191 0.013 . . . . . . . 5520 2 9 . 2 2 11 11 LYS N . . 0.199 0.013 . . . . . . . 5520 2 10 . 2 2 12 12 THR N . . 0.206 0.014 . . . . . . . 5520 2 11 . 2 2 13 13 TYR N . . 0.202 0.014 . . . . . . . 5520 2 12 . 2 2 14 14 GLY N . . 0.189 0.013 . . . . . . . 5520 2 13 . 2 2 15 15 ASN N . . 0.193 0.013 . . . . . . . 5520 2 14 . 2 2 16 16 LYS N . . 0.174 0.012 . . . . . . . 5520 2 15 . 2 2 17 17 CYS N . . 0.194 0.013 . . . . . . . 5520 2 16 . 2 2 18 18 ASN N . . 0.185 0.013 . . . . . . . 5520 2 17 . 2 2 19 19 PHE N . . 0.182 0.012 . . . . . . . 5520 2 18 . 2 2 20 20 CYS N . . 0.179 0.012 . . . . . . . 5520 2 19 . 2 2 21 21 ASN N . . 0.199 0.013 . . . . . . . 5520 2 20 . 2 2 22 22 ALA N . . 0.198 0.013 . . . . . . . 5520 2 21 . 2 2 23 23 VAL N . . 0.190 0.013 . . . . . . . 5520 2 22 . 2 2 24 24 VAL N . . 0.179 0.013 . . . . . . . 5520 2 23 . 2 2 25 25 GLU N . . 0.196 0.013 . . . . . . . 5520 2 24 . 2 2 26 26 SER N . . 0.203 0.014 . . . . . . . 5520 2 25 . 2 2 27 27 ASN N . . 0.193 0.013 . . . . . . . 5520 2 26 . 2 2 28 28 GLY N . . 0.207 0.014 . . . . . . . 5520 2 27 . 2 2 29 29 THR N . . 0.212 0.014 . . . . . . . 5520 2 28 . 2 2 30 30 LEU N . . 0.2 0.014 . . . . . . . 5520 2 29 . 2 2 31 31 THR N . . 0.191 0.013 . . . . . . . 5520 2 30 . 2 2 32 32 LEU N . . 0.200 0.014 . . . . . . . 5520 2 31 . 2 2 33 33 SER N . . 0.187 0.013 . . . . . . . 5520 2 32 . 2 2 34 34 HIS N . . 0.181 0.012 . . . . . . . 5520 2 33 . 2 2 35 35 PHE N . . 0.189 0.013 . . . . . . . 5520 2 34 . 2 2 36 36 GLY N . . 0.189 0.013 . . . . . . . 5520 2 35 . 2 2 37 37 LYS N . . 0.205 0.014 . . . . . . . 5520 2 36 . 2 2 38 38 CYS N . . 0.180 0.012 . . . . . . . 5520 2 stop_ save_ save_15N_T2_chain_1_600_pH6 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_chain_1_600_pH6 _Heteronucl_T2_list.Entry_ID 5520 _Heteronucl_T2_list.ID 3 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $Sample_1 . 5520 3 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N . . 0.305 0.081 . . . . . . . 5520 3 2 . 1 1 3 3 ALA N . . 0.434 0.030 . . . . . . . 5520 3 3 . 1 1 4 4 VAL N . . 0.485 0.038 . . . . . . . 5520 3 4 . 1 1 5 5 SER N . . 0.294 0.020 . . . . . . . 5520 3 5 . 1 1 6 6 VAL N . . 0.260 0.018 . . . . . . . 5520 3 6 . 1 1 7 7 ASP N . . 0.185 0.016 . . . . . . . 5520 3 7 . 1 1 8 8 CYS N . . 0.178 0.012 . . . . . . . 5520 3 8 . 1 1 9 9 SER N . . 0.181 0.012 . . . . . . . 5520 3 9 . 1 1 10 10 GLU N . . 0.133 0.009 . . . . . . . 5520 3 10 . 1 1 11 11 TYR N . . 0.176 0.012 . . . . . . . 5520 3 11 . 1 1 13 13 LYS N . . 0.204 0.014 . . . . . . . 5520 3 12 . 1 1 15 15 ALA N . . 0.137 0.013 . . . . . . . 5520 3 13 . 1 1 16 16 CYS N . . 0.207 0.014 . . . . . . . 5520 3 14 . 1 1 17 17 THR N . . 0.235 0.022 . . . . . . . 5520 3 15 . 1 1 18 18 LEU N . . 0.427 0.048 . . . . . . . 5520 3 stop_ save_ save_15N_T2_chain_2_600_pH6 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_chain_2_600_pH6 _Heteronucl_T2_list.Entry_ID 5520 _Heteronucl_T2_list.ID 4 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $Sample_1 . 5520 4 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 . 2 2 2 2 TYR N . . 0.207 0.056 . . . . . . . 5520 4 2 . 2 2 3 3 ARG N . . 0.247 0.017 . . . . . . . 5520 4 3 . 2 2 5 5 LEU N . . 0.213 0.014 . . . . . . . 5520 4 4 . 2 2 6 6 CYS N . . 0.205 0.014 . . . . . . . 5520 4 5 . 2 2 7 7 GLY N . . 0.165 0.011 . . . . . . . 5520 4 6 . 2 2 8 8 SER N . . 0.199 0.013 . . . . . . . 5520 4 7 . 2 2 9 9 ASP N . . 0.162 0.011 . . . . . . . 5520 4 8 . 2 2 10 10 ASN N . . 0.180 0.012 . . . . . . . 5520 4 9 . 2 2 11 11 LYS N . . 0.209 0.014 . . . . . . . 5520 4 10 . 2 2 12 12 THR N . . 0.213 0.014 . . . . . . . 5520 4 11 . 2 2 13 13 TYR N . . 0.194 0.013 . . . . . . . 5520 4 12 . 2 2 14 14 GLY N . . 0.185 0.013 . . . . . . . 5520 4 13 . 2 2 15 15 ASN N . . 0.196 0.013 . . . . . . . 5520 4 14 . 2 2 16 16 LYS N . . 0.175 0.012 . . . . . . . 5520 4 15 . 2 2 17 17 CYS N . . 0.172 0.012 . . . . . . . 5520 4 16 . 2 2 18 18 ASN N . . 0.179 0.012 . . . . . . . 5520 4 17 . 2 2 19 19 PHE N . . 0.189 0.013 . . . . . . . 5520 4 18 . 2 2 20 20 CYS N . . 0.186 0.013 . . . . . . . 5520 4 19 . 2 2 21 21 ASN N . . 0.179 0.012 . . . . . . . 5520 4 20 . 2 2 22 22 ALA N . . 0.169 0.011 . . . . . . . 5520 4 21 . 2 2 23 23 VAL N . . 0.195 0.013 . . . . . . . 5520 4 22 . 2 2 24 24 VAL N . . 0.183 0.012 . . . . . . . 5520 4 23 . 2 2 25 25 GLU N . . 0.158 0.011 . . . . . . . 5520 4 24 . 2 2 26 26 SER N . . 0.189 0.013 . . . . . . . 5520 4 25 . 2 2 27 27 ASN N . . 0.177 0.012 . . . . . . . 5520 4 26 . 2 2 28 28 GLY N . . 0.190 0.013 . . . . . . . 5520 4 27 . 2 2 29 29 THR N . . 0.218 0.015 . . . . . . . 5520 4 28 . 2 2 30 30 LEU N . . 0.203 0.014 . . . . . . . 5520 4 29 . 2 2 31 31 THR N . . 0.200 0.014 . . . . . . . 5520 4 30 . 2 2 32 32 LEU N . . 0.212 0.014 . . . . . . . 5520 4 31 . 2 2 33 33 SER N . . 0.178 0.012 . . . . . . . 5520 4 32 . 2 2 34 34 HIS N . . 0.138 0.009 . . . . . . . 5520 4 33 . 2 2 35 35 PHE N . . 0.184 0.012 . . . . . . . 5520 4 34 . 2 2 36 36 GLY N . . 0.176 0.012 . . . . . . . 5520 4 35 . 2 2 37 37 LYS N . . 0.228 0.015 . . . . . . . 5520 4 36 . 2 2 38 38 CYS N . . 0.199 0.013 . . . . . . . 5520 4 stop_ save_ save_15N_T2_chain_1_600_pH39 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_chain_1_600_pH39 _Heteronucl_T2_list.Entry_ID 5520 _Heteronucl_T2_list.ID 5 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $Sample_1 . 5520 5 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N . . 0.826 0.057 . . . . . . . 5520 5 2 . 1 1 3 3 ALA N . . 0.763 0.053 . . . . . . . 5520 5 3 . 1 1 4 4 VAL N . . 0.571 0.040 . . . . . . . 5520 5 4 . 1 1 5 5 SER N . . 0.346 0.024 . . . . . . . 5520 5 5 . 1 1 6 6 VAL N . . 0.259 0.018 . . . . . . . 5520 5 6 . 1 1 7 7 ASP N . . 0.238 0.016 . . . . . . . 5520 5 7 . 1 1 8 8 CYS N . . 0.208 0.014 . . . . . . . 5520 5 8 . 1 1 9 9 SER N . . 0.122 0.008 . . . . . . . 5520 5 9 . 1 1 10 10 GLU N . . 0.192 0.013 . . . . . . . 5520 5 10 . 1 1 11 11 TYR N . . 0.188 0.013 . . . . . . . 5520 5 11 . 1 1 13 13 LYS N . . 0.211 0.014 . . . . . . . 5520 5 12 . 1 1 15 15 ALA N . . 0.122 0.008 . . . . . . . 5520 5 13 . 1 1 16 16 CYS N . . 0.248 0.017 . . . . . . . 5520 5 14 . 1 1 17 17 THR N . . 0.310 0.021 . . . . . . . 5520 5 15 . 1 1 18 18 LEU N . . 0.497 0.034 . . . . . . . 5520 5 stop_ save_ save_15N_T2_chain_2_600_pH39 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_chain_2_600_pH39 _Heteronucl_T2_list.Entry_ID 5520 _Heteronucl_T2_list.ID 6 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $Sample_1 . 5520 6 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 . 2 2 2 2 TYR N . . 0.301 0.030 . . . . . . . 5520 6 2 . 2 2 3 3 ARG N . . 0.245 0.012 . . . . . . . 5520 6 3 . 2 2 5 5 LEU N . . 0.172 0.012 . . . . . . . 5520 6 4 . 2 2 6 6 CYS N . . 0.189 0.013 . . . . . . . 5520 6 5 . 2 2 7 7 GLY N . . 0.208 0.014 . . . . . . . 5520 6 6 . 2 2 8 8 SER N . . 0.185 0.013 . . . . . . . 5520 6 7 . 2 2 9 9 ASP N . . 0.174 0.012 . . . . . . . 5520 6 8 . 2 2 10 10 ASN N . . 0.183 0.012 . . . . . . . 5520 6 9 . 2 2 11 11 LYS N . . 0.186 0.013 . . . . . . . 5520 6 10 . 2 2 12 12 THR N . . 0.205 0.014 . . . . . . . 5520 6 11 . 2 2 13 13 TYR N . . 0.194 0.013 . . . . . . . 5520 6 12 . 2 2 14 14 GLY N . . 0.209 0.014 . . . . . . . 5520 6 13 . 2 2 15 15 ASN N . . 0.195 0.013 . . . . . . . 5520 6 14 . 2 2 16 16 LYS N . . 0.189 0.013 . . . . . . . 5520 6 15 . 2 2 17 17 CYS N . . 0.219 0.015 . . . . . . . 5520 6 16 . 2 2 18 18 ASN N . . 0.205 0.014 . . . . . . . 5520 6 17 . 2 2 19 19 PHE N . . 0.174 0.012 . . . . . . . 5520 6 18 . 2 2 20 20 CYS N . . 0.207 0.014 . . . . . . . 5520 6 19 . 2 2 21 21 ASN N . . 0.181 0.012 . . . . . . . 5520 6 20 . 2 2 22 22 ALA N . . 0.174 0.012 . . . . . . . 5520 6 21 . 2 2 23 23 VAL N . . 0.193 0.013 . . . . . . . 5520 6 22 . 2 2 24 24 VAL N . . 0.157 0.011 . . . . . . . 5520 6 23 . 2 2 25 25 GLU N . . 0.189 0.013 . . . . . . . 5520 6 24 . 2 2 26 26 SER N . . 0.201 0.014 . . . . . . . 5520 6 25 . 2 2 27 27 ASN N . . 0.202 0.014 . . . . . . . 5520 6 26 . 2 2 28 28 GLY N . . 0.217 0.015 . . . . . . . 5520 6 27 . 2 2 29 29 THR N . . 0.211 0.014 . . . . . . . 5520 6 28 . 2 2 30 30 LEU N . . 0.199 0.013 . . . . . . . 5520 6 29 . 2 2 31 31 THR N . . 0.200 0.014 . . . . . . . 5520 6 30 . 2 2 32 32 LEU N . . 0.202 0.014 . . . . . . . 5520 6 31 . 2 2 33 33 SER N . . 0.178 0.012 . . . . . . . 5520 6 32 . 2 2 34 34 HIS N . . 0.207 0.014 . . . . . . . 5520 6 33 . 2 2 35 35 PHE N . . 0.211 0.014 . . . . . . . 5520 6 34 . 2 2 36 36 GLY N . . 0.191 0.013 . . . . . . . 5520 6 35 . 2 2 37 37 LYS N . . 0.235 0.016 . . . . . . . 5520 6 36 . 2 2 38 38 CYS N . . 0.188 0.013 . . . . . . . 5520 6 stop_ save_ save_15N_T2_chain_1_750_pH6 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_chain_1_750_pH6 _Heteronucl_T2_list.Entry_ID 5520 _Heteronucl_T2_list.ID 7 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 750 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $Sample_1 . 5520 7 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N . . 0.185 0.012 . . . . . . . 5520 7 2 . 1 1 3 3 ALA N . . 0.246 0.017 . . . . . . . 5520 7 3 . 1 1 4 4 VAL N . . 0.303 0.030 . . . . . . . 5520 7 4 . 1 1 5 5 SER N . . 0.189 0.013 . . . . . . . 5520 7 5 . 1 1 6 6 VAL N . . 0.184 0.019 . . . . . . . 5520 7 6 . 1 1 7 7 ASP N . . 0.114 0.010 . . . . . . . 5520 7 7 . 1 1 8 8 CYS N . . 0.125 0.008 . . . . . . . 5520 7 8 . 1 1 9 9 SER N . . 0.123 0.008 . . . . . . . 5520 7 9 . 1 1 10 10 GLU N . . 0.092 0.006 . . . . . . . 5520 7 10 . 1 1 11 11 TYR N . . 0.137 0.009 . . . . . . . 5520 7 11 . 1 1 13 13 LYS N . . 0.169 0.011 . . . . . . . 5520 7 12 . 1 1 15 15 ALA N . . 0.099 0.011 . . . . . . . 5520 7 13 . 1 1 16 16 CYS N . . 0.130 0.009 . . . . . . . 5520 7 14 . 1 1 17 17 THR N . . 0.142 0.014 . . . . . . . 5520 7 15 . 1 1 18 18 LEU N . . 0.308 0.031 . . . . . . . 5520 7 stop_ save_ save_15N_T2_chain_2_750_pH6 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_chain_2_750_pH6 _Heteronucl_T2_list.Entry_ID 5520 _Heteronucl_T2_list.ID 8 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 750 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $Sample_1 . 5520 8 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 . 2 2 2 2 TYR N . . 0.152 0.017 . . . . . . . 5520 8 2 . 2 2 3 3 ARG N . . 0.163 0.011 . . . . . . . 5520 8 3 . 2 2 5 5 LEU N . . 0.162 0.011 . . . . . . . 5520 8 4 . 2 2 6 6 CYS N . . 0.168 0.011 . . . . . . . 5520 8 5 . 2 2 7 7 GLY N . . 0.148 0.010 . . . . . . . 5520 8 6 . 2 2 8 8 SER N . . 0.143 0.010 . . . . . . . 5520 8 7 . 2 2 9 9 ASP N . . 0.149 0.010 . . . . . . . 5520 8 8 . 2 2 10 10 ASN N . . 0.164 0.011 . . . . . . . 5520 8 9 . 2 2 11 11 LYS N . . 0.156 0.010 . . . . . . . 5520 8 10 . 2 2 12 12 THR N . . 0.164 0.011 . . . . . . . 5520 8 11 . 2 2 13 13 TYR N . . 0.146 0.010 . . . . . . . 5520 8 12 . 2 2 14 14 GLY N . . 0.141 0.009 . . . . . . . 5520 8 13 . 2 2 15 15 ASN N . . 0.158 0.011 . . . . . . . 5520 8 14 . 2 2 16 16 LYS N . . 0.119 0.008 . . . . . . . 5520 8 15 . 2 2 17 17 CYS N . . 0.147 0.010 . . . . . . . 5520 8 16 . 2 2 18 18 ASN N . . 0.150 0.010 . . . . . . . 5520 8 17 . 2 2 19 19 PHE N . . 0.149 0.010 . . . . . . . 5520 8 18 . 2 2 20 20 CYS N . . 0.154 0.010 . . . . . . . 5520 8 19 . 2 2 21 21 ASN N . . 0.153 0.010 . . . . . . . 5520 8 20 . 2 2 22 22 ALA N . . 0.166 0.011 . . . . . . . 5520 8 21 . 2 2 23 23 VAL N . . 0.162 0.011 . . . . . . . 5520 8 22 . 2 2 24 24 VAL N . . 0.144 0.010 . . . . . . . 5520 8 23 . 2 2 25 25 GLU N . . 0.168 0.011 . . . . . . . 5520 8 24 . 2 2 26 26 SER N . . 0.160 0.011 . . . . . . . 5520 8 25 . 2 2 27 27 ASN N . . 0.141 0.009 . . . . . . . 5520 8 26 . 2 2 28 28 GLY N . . 0.165 0.011 . . . . . . . 5520 8 27 . 2 2 29 29 THR N . . 0.157 0.011 . . . . . . . 5520 8 28 . 2 2 30 30 LEU N . . 0.16 0.011 . . . . . . . 5520 8 29 . 2 2 31 31 THR N . . 0.146 0.010 . . . . . . . 5520 8 30 . 2 2 32 32 LEU N . . 0.167 0.011 . . . . . . . 5520 8 31 . 2 2 33 33 SER N . . 0.154 0.010 . . . . . . . 5520 8 32 . 2 2 34 34 HIS N . . 0.143 0.010 . . . . . . . 5520 8 33 . 2 2 35 35 PHE N . . 0.129 0.009 . . . . . . . 5520 8 34 . 2 2 36 36 GLY N . . 0.158 0.011 . . . . . . . 5520 8 35 . 2 2 37 37 LYS N . . 0.182 0.012 . . . . . . . 5520 8 36 . 2 2 38 38 CYS N . . 0.151 0.010 . . . . . . . 5520 8 stop_ save_ save_15N_T2_chain_1_750_pH39 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_chain_1_750_pH39 _Heteronucl_T2_list.Entry_ID 5520 _Heteronucl_T2_list.ID 9 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 750 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $Sample_1 . 5520 9 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N . . 0.578 0.094 . . . . . . . 5520 9 2 . 1 1 3 3 ALA N . . 0.729 0.112 . . . . . . . 5520 9 3 . 1 1 4 4 VAL N . . 0.436 0.030 . . . . . . . 5520 9 4 . 1 1 5 5 SER N . . 0.300 0.021 . . . . . . . 5520 9 5 . 1 1 6 6 VAL N . . 0.215 0.015 . . . . . . . 5520 9 6 . 1 1 7 7 ASP N . . 0.163 0.019 . . . . . . . 5520 9 7 . 1 1 8 8 CYS N . . 0.150 0.010 . . . . . . . 5520 9 8 . 1 1 9 9 SER N . . 0.092 0.006 . . . . . . . 5520 9 9 . 1 1 10 10 GLU N . . 0.161 0.011 . . . . . . . 5520 9 10 . 1 1 11 11 TYR N . . 0.131 0.009 . . . . . . . 5520 9 11 . 1 1 13 13 LYS N . . 0.152 0.012 . . . . . . . 5520 9 12 . 1 1 15 15 ALA N . . 0.076 0.005 . . . . . . . 5520 9 13 . 1 1 16 16 CYS N . . 0.213 0.014 . . . . . . . 5520 9 14 . 1 1 17 17 THR N . . 0.248 0.017 . . . . . . . 5520 9 15 . 1 1 18 18 LEU N . . 0.343 0.024 . . . . . . . 5520 9 stop_ save_ save_15N_T2_chain_2_750_pH39 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_chain_2_750_pH39 _Heteronucl_T2_list.Entry_ID 5520 _Heteronucl_T2_list.ID 10 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 750 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $Sample_1 . 5520 10 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 . 2 2 2 2 TYR N . . 0.200 0.018 . . . . . . . 5520 10 2 . 2 2 3 3 ARG N . . 0.224 0.011 . . . . . . . 5520 10 3 . 2 2 5 5 LEU N . . 0.116 0.009 . . . . . . . 5520 10 4 . 2 2 6 6 CYS N . . 0.147 0.011 . . . . . . . 5520 10 5 . 2 2 7 7 GLY N . . 0.140 0.009 . . . . . . . 5520 10 6 . 2 2 8 8 SER N . . 0.135 0.009 . . . . . . . 5520 10 7 . 2 2 9 9 ASP N . . 0.146 0.010 . . . . . . . 5520 10 8 . 2 2 10 10 ASN N . . 0.153 0.010 . . . . . . . 5520 10 9 . 2 2 11 11 LYS N . . 0.146 0.010 . . . . . . . 5520 10 10 . 2 2 12 12 THR N . . 0.157 0.011 . . . . . . . 5520 10 11 . 2 2 13 13 TYR N . . 0.154 0.010 . . . . . . . 5520 10 12 . 2 2 14 14 GLY N . . 0.184 0.012 . . . . . . . 5520 10 13 . 2 2 15 15 ASN N . . 0.183 0.012 . . . . . . . 5520 10 14 . 2 2 16 16 LYS N . . 0.172 0.012 . . . . . . . 5520 10 15 . 2 2 17 17 CYS N . . 0.151 0.015 . . . . . . . 5520 10 16 . 2 2 18 18 ASN N . . 0.16 0.011 . . . . . . . 5520 10 17 . 2 2 19 19 PHE N . . 0.145 0.010 . . . . . . . 5520 10 18 . 2 2 20 20 CYS N . . 0.162 0.011 . . . . . . . 5520 10 19 . 2 2 21 21 ASN N . . 0.169 0.011 . . . . . . . 5520 10 20 . 2 2 22 22 ALA N . . 0.174 0.012 . . . . . . . 5520 10 21 . 2 2 23 23 VAL N . . 0.167 0.011 . . . . . . . 5520 10 22 . 2 2 24 24 VAL N . . 0.123 0.008 . . . . . . . 5520 10 23 . 2 2 25 25 GLU N . . 0.152 0.012 . . . . . . . 5520 10 24 . 2 2 26 26 SER N . . 0.156 0.010 . . . . . . . 5520 10 25 . 2 2 27 27 ASN N . . 0.151 0.010 . . . . . . . 5520 10 26 . 2 2 28 28 GLY N . . 0.166 0.011 . . . . . . . 5520 10 27 . 2 2 29 29 THR N . . 0.139 0.009 . . . . . . . 5520 10 28 . 2 2 30 30 LEU N . . 0.156 0.010 . . . . . . . 5520 10 29 . 2 2 31 31 THR N . . 0.141 0.009 . . . . . . . 5520 10 30 . 2 2 32 32 LEU N . . 0.171 0.011 . . . . . . . 5520 10 31 . 2 2 33 33 SER N . . 0.152 0.017 . . . . . . . 5520 10 32 . 2 2 34 34 HIS N . . 0.151 0.010 . . . . . . . 5520 10 33 . 2 2 35 35 PHE N . . 0.168 0.011 . . . . . . . 5520 10 34 . 2 2 36 36 GLY N . . 0.159 0.011 . . . . . . . 5520 10 35 . 2 2 37 37 LYS N . . 0.178 0.012 . . . . . . . 5520 10 36 . 2 2 38 38 CYS N . . 0.149 0.010 . . . . . . . 5520 10 stop_ save_