data_5307 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5307 _Entry.Title ; Basic Pancreatic Trypsin Inhibitor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-02-27 _Entry.Accession_date 2002-02-27 _Entry.Last_release_date 2002-02-27 _Entry.Original_release_date 2002-02-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Parag Sahasrabudhe . . . . 5307 2 Michael Baran . C . . 5307 3 Gaetano Montelione . T . . 5307 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-07-15 2002-02-26 update BMRB 'added time domain data' 5307 1 . . 2002-05-15 2002-02-26 original author 'original release' 5307 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4968 'chemical shift assignments of BPTI at pH 6.5' 5307 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5307 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Basic Pancreatic Trypsin Inhibitor ; _Citation.Status submitted _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Parag Sahasrabudhe . . . . 5307 1 2 Michael Baran . C . . 5307 1 3 Gaetano Montelione . T . . 5307 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BPTI _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BPTI _Assembly.Entry_ID 5307 _Assembly.ID 1 _Assembly.Name 'Basic Pancreatic Trypsin Inhibitor' _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 6000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5307 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 'Basic Pancreatic Trypsin Inhibitor' 1 $BPTI . . . native . . . . . 5307 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 . 1 CYS 5 5 SG . 1 . 1 CYS 55 55 SG . . . . . . . . . . 5307 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . 5307 1 3 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . 5307 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID BPTI abbreviation 5307 1 'Basic Pancreatic Trypsin Inhibitor' system 5307 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BPTI _Entity.Sf_category entity _Entity.Sf_framecode BPTI _Entity.Entry_ID 5307 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Basic Pancreatic Trypsin Inhibitor' _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 ; RPDFCLEPPYTGPCKARIIR YFYNAKAGLCQTFVYGGCRA KRNNFKSAEDCMRTCGGA ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6000 _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 . no BMRB 1039 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 1156 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 1179 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 236 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 237 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 262 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 263 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 264 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 338 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 411 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 412 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 413 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 414 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 415 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 416 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 419 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 45 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 46 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 48 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 485 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 4868 . BPTI-R52 . . . . . 100.00 58 98.28 98.28 2.63e-25 . . . . 5307 1 . no BMRB 49 . 'basic pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 4968 . BPTI . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 5171 . BPTI . . . . . 100.00 58 98.28 98.28 1.04e-25 . . . . 5307 1 . no BMRB 5358 . 'bovine pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no BMRB 5359 . 'bovine pancreatic trypsin inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1B0C . 'Evidence Of A Common Decamer In Three Crystal Structures Of Bpti, Crystallized From Thiocyanate, Chloride Or Sulfate' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1BHC . 'Bovine Pancreatic Trypsin Inhibitor Crystallized From Thiocyanate' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1BPI . 'The Structure Of Bovine Pancreatic Trypsin Inhibitor At 125k: Definition Of Carboxyl-Terminal Residues Glycine-57 And Alanine-58' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1BPT . 'Crevice-Forming Mutants Of Bpti: Crystal Structures Of F22a, Y23a, N43g, And F45a' . . . . . 100.00 58 98.28 98.28 2.13e-25 . . . . 5307 1 . no PDB 1BTH . 'Structure Of Thrombin Complexed With Bovine Pancreatic Trypsin Inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1BTI . ; Crevice-Forming Mutants In The Rigid Core Of Bovine Pancreatic Trypsin Inhibitor: Crystal Structures Of F22a, Y23a, N43g, And F45a ; . . . . . 100.00 58 98.28 98.28 2.15e-25 . . . . 5307 1 . no PDB 1BZ5 . 'Evidence Of A Common Decamer In Three Crystal Structures Of Bpti, Crystallize From Thiocyanate, Chloride Or Sulfate' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1BZX . 'The Crystal Structure Of Anionic Salmon Trypsin In Complex With Bovine Pancreatic Trypsin Inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1CBW . 'Bovine Chymotrypsin Complexed To Bpti' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1CO7 . 'R117h Mutant Rat Anionic Trypsin Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)' . . . . . 100.00 99 100.00 100.00 3.82e-27 . . . . 5307 1 . no PDB 1D0D . 'Crystal Structure Of Tick Anticoagulant Protein Complexed With Bovine Pancreatic Trypsin Inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1EAW . 'Crystal Structure Of The Mtsp1 (Matriptase)-Bpti (Aprotinin) Complex' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1F5R . 'Rat Trypsinogen Mutant Complexed With Bovine Pancreatic Trypsin Inhibitor' . . . . . 100.00 65 100.00 100.00 3.02e-26 . . . . 5307 1 . no PDB 1F7Z . 'Rat Trypsinogen K15a Complexed With Bovine Pancreatic Trypsin Inhibitor' . . . . . 100.00 65 100.00 100.00 3.02e-26 . . . . 5307 1 . no PDB 1FAN . ; Crevice-Forming Mutants In The Rigid Core Of Bovine Pancreatic Trypsin Inhibitor: Crystal Structures Of F22a, Y23a, N43g, And F45a ; . . . . . 100.00 58 98.28 98.28 2.15e-25 . . . . 5307 1 . no PDB 1FY8 . 'Crystal Structure Of The Deltaile16val17 Rat Anionic Trypsinogen-Bpti Complex' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1JV8 . 'Nmr Structure Of Bpti Mutant G37a' . . . . . 100.00 58 98.28 98.28 1.04e-25 . . . . 5307 1 . no PDB 1JV9 . 'Nmr Structure Of Bpti Mutant G37a' . . . . . 100.00 58 98.28 98.28 1.04e-25 . . . . 5307 1 . no PDB 1MTN . 'Bovine Alpha-Chymotrypsin:bpti Crystallization' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1NAG . ; Crevice-Forming Mutants In The Rigid Core Of Bovine Pancreatic Trypsin Inhibitor: Crystal Structures Of F22a, Y23a, N43g, And F45a ; . . . . . 100.00 58 98.28 98.28 1.77e-25 . . . . 5307 1 . no PDB 1OA5 . 'The Solution Structure Of Bovine Pancreatic Trypsin Inhibitor At High Pressure' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1OA6 . 'The Solution Structure Of Bovine Pancreatic Trypsin Inhibitor At High Pressure' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1PIT . ; Determination Of A High-Quality Nuclear Magnetic Resonance Solution Structure Of The Bovine Pancreatic Trypsin Inhibitor And Comparison With Three Crystal Structures ; . . . . . 98.28 58 100.00 100.00 1.20e-25 . . . . 5307 1 . no PDB 1TPA . 'The Geometry Of The Reactive Site And Of The Peptide Groups In Trypsin, Trypsinogen And Its Complexes With Inhibitors' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 1UUA . 'Solution Structure Of A Truncated Bovine Pancreatic Trypsin Inhibitor, 3-58 Bpti' . . . . . 96.55 56 100.00 100.00 6.00e-25 . . . . 5307 1 . no PDB 1YKT . 'TrypsinBPTI COMPLEX MUTANT' . . . . . 96.55 56 100.00 100.00 4.09e-25 . . . . 5307 1 . no PDB 2FI4 . 'Crystal Structure Of A Bpti Variant (Cys14->ser) In Complex With Trypsin' . . . . . 100.00 58 98.28 98.28 1.65e-25 . . . . 5307 1 . no PDB 2FI5 . 'Crystal Structure Of A Bpti Variant (Cys38->ser) In Complex With Trypsin' . . . . . 100.00 58 98.28 98.28 1.65e-25 . . . . 5307 1 . no PDB 2FTL . 'Crystal Structure Of Trypsin Complexed With Bpti At 100k' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 2FTM . 'Crystal Structure Of Trypsin Complexed With The Bpti Variant (Tyr35->gly)' . . . . . 100.00 58 98.28 98.28 3.52e-25 . . . . 5307 1 . no PDB 2HEX . 'Decamers Observed In The Crystals Of Bovine Pancreatic Trypsin Inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 2IJO . 'Crystal Structure Of The West Nile Virus Ns2b-Ns3 Protease Complexed With Bovine Pancreatic Trypsin Inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 2KAI . ; Refined 2.5 Angstroms X-Ray Crystal Structure Of The Complex Formed By Porcine Kallikrein A And The Bovine Pancreatic Trypsin Inhibitor. Crystallization, Patterson Search, Structure Determination, Refinement, Structure And Comparison With Its Components And With The Bovine Trypsin- Pancreatic Trypsin Inhibitor Complex ; . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 2PTC . 'The Geometry Of The Reactive Site And Of The Peptide Groups In Trypsin, Trypsinogen And Its Complexes With Inhibitors' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 2R9P . 'Human Mesotrypsin Complexed With Bovine Pancreatic Trypsin Inhibitor(Bpti)' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 2RA3 . 'Human Cationic Trypsin Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 2TGP . 'The Geometry Of The Reactive Site And Of The Peptide Groups In Trypsin, Trypsinogen And Its Complexes With Inhibitors' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 2TPI . 'On The Disordered Activation Domain In Trypsinogen. Chemical Labelling And Low-Temperature Crystallography' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 3BTK . 'The Crystal Structures Of The Complexes Between Bovine Beta- Trypsin And Ten P1 Variants Of Bpti' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 3TGI . 'Wild-Type Rat Anionic Trypsin Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)' . . . . . 100.00 65 100.00 100.00 3.02e-26 . . . . 5307 1 . no PDB 3TGJ . 'S195a Trypsinogen Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)' . . . . . 100.00 65 100.00 100.00 3.02e-26 . . . . 5307 1 . no PDB 3TGK . 'Trypsinogen Mutant D194n And Deletion Of Ile 16-Val 17 Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)' . . . . . 100.00 65 100.00 100.00 3.02e-26 . . . . 5307 1 . no PDB 3TPI . 'The Geometry Of The Reactive Site And Of The Peptide Groups In Trypsin, Trypsinogen And Its Complexes With Inhibitors' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 4PTI . 'The Geometry Of The Reactive Site And Of The Peptide Groups In Trypsin, Trypsinogen And Its Complexes With Inhibitors' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 4TPI . ; The Refined 2.2-Angstroms (0.22-Nm) X-Ray Crystal Structure Of The Ternary Complex Formed By Bovine Trypsinogen, Valine-Valine And The Arg15 Analogue Of Bovine Pancreatic Trypsin Inhibitor ; . . . . . 100.00 58 98.28 100.00 8.10e-26 . . . . 5307 1 . no PDB 5PTI . 'Structure Of Bovine Pancreatic Trypsin Inhibitor. Results Of Joint Neutron And X-Ray Refinement Of Crystal Form Ii' . . . . . 98.28 58 100.00 100.00 1.20e-25 . . . . 5307 1 . no PDB 6PTI . 'Structure Of Form Iii Crystals Of Bovine Pancreatic Trypsin Inhibitor' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no PDB 8PTI . 'Crystal Structure Of A Y35g Mutant Of Bovine Pancreatic Trypsin Inhibitor' . . . . . 100.00 58 98.28 98.28 3.52e-25 . . . . 5307 1 . no PDB 9PTI . 'Basic Pancreatic Trypsin Inhibitor (Met 52 Oxidized)' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no EMBL CAA27062 . 'unnamed protein product [Bos taurus]' . . . . . 100.00 89 100.00 100.00 2.03e-26 . . . . 5307 1 . no EMBL CAA27063 . 'unnamed protein product [Bos taurus]' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no EMBL CAA28371 . 'unnamed protein product [synthetic construct]' . . . . . 100.00 59 100.00 100.00 2.97e-26 . . . . 5307 1 . no EMBL CAA28886 . 'trypsin ihibitor precursor [Bos taurus]' . . . . . 100.00 92 100.00 100.00 4.78e-27 . . . . 5307 1 . no EMBL CAA37967 . 'aprotinin [synthetic construct]' . . . . . 100.00 59 100.00 100.00 3.60e-26 . . . . 5307 1 . no GenBank AAA72535 . 'alkaline phosphatase/pancreatic trypsin inhibitor precursor' . . . . . 100.00 79 98.28 100.00 1.24e-26 . . . . 5307 1 . no GenBank AAB25189 . 'major cationic kallikrein inhibitor [cattle, posterior pituitary gland, Peptide, 58 aa]' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no GenBank AAD13685 . 'trypsin inhibitor [Bos taurus]' . . . . . 100.00 100 100.00 100.00 3.43e-27 . . . . 5307 1 . no PRF 1405218A . 'aprotinin analog' . . . . . 98.28 57 100.00 100.00 1.07e-25 . . . . 5307 1 . no PRF 1405218D . 'aprotinin analog' . . . . . 100.00 59 100.00 100.00 3.05e-26 . . . . 5307 1 . no PRF 1510193A . BPTI . . . . . 100.00 100 98.28 100.00 1.02e-26 . . . . 5307 1 . no PRF 681071A . 'inhibitor,basic pancreatic trypsin' . . . . . 100.00 58 100.00 100.00 3.54e-26 . . . . 5307 1 . no SWISS-PROT P00974 . 'Pancreatic trypsin inhibitor precursor (Basic protease inhibitor) (BPTI) (BPI) (Aprotinin)' . . . . . 100.00 100 100.00 100.00 3.43e-27 . . . . 5307 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BPTI abbreviation 5307 1 'Basic Pancreatic Trypsin Inhibitor' common 5307 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 . ARG . 5307 1 2 . PRO . 5307 1 3 . ASP . 5307 1 4 . PHE . 5307 1 5 . CYS . 5307 1 6 . LEU . 5307 1 7 . GLU . 5307 1 8 . PRO . 5307 1 9 . PRO . 5307 1 10 . TYR . 5307 1 11 . THR . 5307 1 12 . GLY . 5307 1 13 . PRO . 5307 1 14 . CYS . 5307 1 15 . LYS . 5307 1 16 . ALA . 5307 1 17 . ARG . 5307 1 18 . ILE . 5307 1 19 . ILE . 5307 1 20 . ARG . 5307 1 21 . TYR . 5307 1 22 . PHE . 5307 1 23 . TYR . 5307 1 24 . ASN . 5307 1 25 . ALA . 5307 1 26 . LYS . 5307 1 27 . ALA . 5307 1 28 . GLY . 5307 1 29 . LEU . 5307 1 30 . CYS . 5307 1 31 . GLN . 5307 1 32 . THR . 5307 1 33 . PHE . 5307 1 34 . VAL . 5307 1 35 . TYR . 5307 1 36 . GLY . 5307 1 37 . GLY . 5307 1 38 . CYS . 5307 1 39 . ARG . 5307 1 40 . ALA . 5307 1 41 . LYS . 5307 1 42 . ARG . 5307 1 43 . ASN . 5307 1 44 . ASN . 5307 1 45 . PHE . 5307 1 46 . LYS . 5307 1 47 . SER . 5307 1 48 . ALA . 5307 1 49 . GLU . 5307 1 50 . ASP . 5307 1 51 . CYS . 5307 1 52 . MET . 5307 1 53 . ARG . 5307 1 54 . THR . 5307 1 55 . CYS . 5307 1 56 . GLY . 5307 1 57 . GLY . 5307 1 58 . ALA . 5307 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 . ARG 1 1 5307 1 . PRO 2 2 5307 1 . ASP 3 3 5307 1 . PHE 4 4 5307 1 . CYS 5 5 5307 1 . LEU 6 6 5307 1 . GLU 7 7 5307 1 . PRO 8 8 5307 1 . PRO 9 9 5307 1 . TYR 10 10 5307 1 . THR 11 11 5307 1 . GLY 12 12 5307 1 . PRO 13 13 5307 1 . CYS 14 14 5307 1 . LYS 15 15 5307 1 . ALA 16 16 5307 1 . ARG 17 17 5307 1 . ILE 18 18 5307 1 . ILE 19 19 5307 1 . ARG 20 20 5307 1 . TYR 21 21 5307 1 . PHE 22 22 5307 1 . TYR 23 23 5307 1 . ASN 24 24 5307 1 . ALA 25 25 5307 1 . LYS 26 26 5307 1 . ALA 27 27 5307 1 . GLY 28 28 5307 1 . LEU 29 29 5307 1 . CYS 30 30 5307 1 . GLN 31 31 5307 1 . THR 32 32 5307 1 . PHE 33 33 5307 1 . VAL 34 34 5307 1 . TYR 35 35 5307 1 . GLY 36 36 5307 1 . GLY 37 37 5307 1 . CYS 38 38 5307 1 . ARG 39 39 5307 1 . ALA 40 40 5307 1 . LYS 41 41 5307 1 . ARG 42 42 5307 1 . ASN 43 43 5307 1 . ASN 44 44 5307 1 . PHE 45 45 5307 1 . LYS 46 46 5307 1 . SER 47 47 5307 1 . ALA 48 48 5307 1 . GLU 49 49 5307 1 . ASP 50 50 5307 1 . CYS 51 51 5307 1 . MET 52 52 5307 1 . ARG 53 53 5307 1 . THR 54 54 5307 1 . CYS 55 55 5307 1 . GLY 56 56 5307 1 . GLY 57 57 5307 1 . ALA 58 58 5307 1 stop_ save_ #################### # Natural source # #################### save_natural_source_BPTI _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_BPTI _Entity_natural_src_list.Entry_ID 5307 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BPTI . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . 5307 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_BPTI _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_BPTI _Entity_experimental_src_list.Entry_ID 5307 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BPTI . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli n/a . . . . . n/a . . . 5307 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_BPTI _Sample.Sf_category sample _Sample.Sf_framecode sample_BPTI _Sample.Entry_ID 5307 _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 'Basic Pancreatic Trypsin Inhibitor' '[U-100% 13C; U-100% 15N]' . . 1 $BPTI . . 1 . . mM . . . . 5307 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 5307 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.8 . n/a 5307 1 temperature 303 . K 5307 1 stop_ save_ ############################# # Purity of the molecules # ############################# save_molecule_purity_list _Entity_purity_list.Sf_category molecule_purity _Entity_purity_list.Sf_framecode molecule_purity_list _Entity_purity_list.Entry_ID 5307 _Entity_purity_list.ID 1 _Entity_purity_list.Details . loop_ _Entity_purity.ID _Entity_purity.Sample_ID _Entity_purity.Sample_label _Entity_purity.Entity_ID _Entity_purity.Entity_label _Entity_purity.Val _Entity_purity.Val_units _Entity_purity.Measurement_method _Entity_purity.Details _Entity_purity.Entry_ID _Entity_purity.Entity_purity_list_ID 1 1 $sample_BPTI 1 $BPTI 95 % 'SDS gel electrophoresis' . 5307 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 5307 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1B _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 5307 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5307 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer varian _NMR_spectrometer.Model 'UNITY Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5307 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 varian 'UNITY Inova' . 500 . . . 5307 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 5307 _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 HNCO yes 1 . . . . . . . . . 1 $sample_BPTI . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5307 1 2 1H-15N_HSQC yes 2 . . . . . . . . . 1 $sample_BPTI . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5307 1 3 HNCA yes 3 . . . . . . . . . 1 $sample_BPTI . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5307 1 4 H(CCCO)NH-TOCSY yes 4 . . . . . . . . . 1 $sample_BPTI . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5307 1 5 (HA)CA(CO)NH yes 5 . . . . . . . . . 1 $sample_BPTI . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5307 1 6 C_cbcaconh yes 6 . . . . . . . . . 1 $sample_BPTI . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5307 1 7 (H)CBCA(CO)NH yes 7 . . . . . . . . . 1 $sample_BPTI . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5307 1 8 (HA)CANH yes 8 . . . . . . . . . 1 $sample_BPTI . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5307 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 5307 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCO _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.033_BPTI_pfg_hnco_se1.fid/ . . . . . . . 5307 1 fid 'raw spectral data' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.033_BPTI_pfg_hnco_se1.fid/ . . . . . . . 5307 1 procpar 'processing parameters' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.033_BPTI_pfg_hnco_se1.fid/ . . . . . . . 5307 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 5307 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H-15N_HSQC _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.031_BPTI_pfghetzych2_NH_se1.fid/ . . . . . . . 5307 2 fid 'raw spectral data' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.031_BPTI_pfghetzych2_NH_se1.fid/ . . . . . . . 5307 2 pfghetzych2_NH_se1.c 'pulse program' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.031_BPTI_pfghetzych2_NH_se1.fid/ . . . . . . . 5307 2 procpar 'processing parameters' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.031_BPTI_pfghetzych2_NH_se1.fid/ . . . . . . . 5307 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 5307 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.037_BPTI_pfg_hnca_se1.fid/ . . . . . . . 5307 3 fid 'raw spectral data' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.037_BPTI_pfg_hnca_se1.fid/ . . . . . . . 5307 3 pfg_hnca_se1.c 'pulse program' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.037_BPTI_pfg_hnca_se1.fid/ . . . . . . . 5307 3 procpar 'processing parameters' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.037_BPTI_pfg_hnca_se1.fid/ . . . . . . . 5307 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 5307 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name H(CCCO)NH-TOCSY _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.035_BPTI_pfg_C_hacaconh_se1.fid/ . . . . . . . 5307 4 fid 'raw spectral data' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.035_BPTI_pfg_C_hacaconh_se1.fid/ . . . . . . . 5307 4 pfg_C_hacaconh_se1.c 'pulse program' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.035_BPTI_pfg_C_hacaconh_se1.fid/ . . . . . . . 5307 4 procpar 'processing parameters' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.035_BPTI_pfg_C_hacaconh_se1.fid/ . . . . . . . 5307 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 5307 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name (HA)CA(CO)NH _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.043_BPTI_pfg_H_hacanh_se1.fid/ . . . . . . . 5307 5 fid 'raw spectral data' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.043_BPTI_pfg_H_hacanh_se1.fid/ . . . . . . . 5307 5 pfg_H_hacaconh_se1.c 'pulse program' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.043_BPTI_pfg_H_hacanh_se1.fid/ . . . . . . . 5307 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.043_BPTI_pfg_H_hacanh_se1.fid/ . . . . . . . 5307 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 5307 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name C_cbcaconh _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.049_BPTI_pfg_C_cbcanh_se1.fid/ . . . . . . . 5307 6 fid 'raw spectral data' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.049_BPTI_pfg_C_cbcanh_se1.fid/ . . . . . . . 5307 6 pfg_C_cbcanh_se1.c 'pulse program' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.049_BPTI_pfg_C_cbcanh_se1.fid/ . . . . . . . 5307 6 procpar 'processing parameters' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.049_BPTI_pfg_C_cbcanh_se1.fid/ . . . . . . . 5307 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 5307 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (H)CBCA(CO)NH _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.053_BPTI_pfg_C_cbcaconh_se1.fid/ . . . . . . . 5307 7 fid 'raw spectral data' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.053_BPTI_pfg_C_cbcaconh_se1.fid/ . . . . . . . 5307 7 pfg_C_cbcaconh_se1.c 'pulse program' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.053_BPTI_pfg_C_cbcaconh_se1.fid/ . . . . . . . 5307 7 procpar 'processing parameters' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.053_BPTI_pfg_C_cbcaconh_se1.fid/ . . . . . . . 5307 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 5307 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name (HA)CANH _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.057_BPTI_pfg_C_hacanh_se1.fid/ . . . . . . . 5307 8 fid 'raw spectral data' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.057_BPTI_pfg_C_hacanh_se1.fid/ . . . . . . . 5307 8 pfg_C_hacanh_se1.c 'pulse program' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.057_BPTI_pfg_C_hacanh_se1.fid/ . . . . . . . 5307 8 procpar 'processing parameters' http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5307/timedomain_data/PVS.I.057_BPTI_pfg_C_hacanh_se1.fid/ . . . . . . . 5307 8 stop_ save_