data_1156 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1156 _Entry.Title ; Protein Structures in Solution by Nuclear Magnetic Resonance and Distance Geometry (The Polypeptide Fold of the Basic Pancreatic Trypsin Inhibitor Determined using Two Different Algorithms, DISGEO and DISMAN) ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Gerhard Wagner . . . 1156 2 Werner Braun . . . 1156 3 Timothy Havel . F. . 1156 4 Thomas Schaumann . . . 1156 5 Nobuhiro Go . . . 1156 6 Kurt Wuthrich . . . 1156 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1156 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 4 1156 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 5 . . 2010-06-14 . revision BMRB 'Complete natural source information' 1156 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1156 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1156 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1156 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1156 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1156 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wagner, Gerhard, Braun, Werner, Havel, Timothy F., Schaumann, Thomas, Go, Nobuhiro, Wuthrich, Kurt, "Protein Structures in Solution by Nuclear Magnetic Resonance and Distance Geometry (The Polypeptide Fold of the Basic Pancreatic Trypsin Inhibitor Determined using Two Different Algorithms, DISGEO and DISMAN)," J. Mol. Biol. 196, 611-639 (1987). ; _Citation.Title ; Protein Structures in Solution by Nuclear Magnetic Resonance and Distance Geometry (The Polypeptide Fold of the Basic Pancreatic Trypsin Inhibitor Determined using Two Different Algorithms, DISGEO and DISMAN) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 196 _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 611 _Citation.Page_last 639 _Citation.Year 1987 _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 Gerhard Wagner . . . 1156 1 2 Werner Braun . . . 1156 1 3 Timothy Havel . F. . 1156 1 4 Thomas Schaumann . . . 1156 1 5 Nobuhiro Go . . . 1156 1 6 Kurt Wuthrich . . . 1156 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_basic_pancreatic_trypsin_inhibitor _Assembly.Sf_category assembly _Assembly.Sf_framecode system_basic_pancreatic_trypsin_inhibitor _Assembly.Entry_ID 1156 _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'basic pancreatic trypsin inhibitor' 1 $basic_pancreatic_trypsin_inhibitor . . . . . . . . . 1156 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'basic pancreatic trypsin inhibitor' system 1156 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_basic_pancreatic_trypsin_inhibitor _Entity.Sf_category entity _Entity.Sf_framecode basic_pancreatic_trypsin_inhibitor _Entity.Entry_ID 1156 _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 ; RPDFCLEPPYTGPCKARIIR YFYNAKAGLCQTFVYGGCRA KRNNFKSAEDCMRTCGGA ; _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 . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1039 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 2 no BMRB 1179 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 3 no BMRB 236 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 4 no BMRB 237 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 5 no BMRB 262 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 6 no BMRB 263 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 7 no BMRB 264 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 8 no BMRB 338 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 9 no BMRB 411 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 10 no BMRB 412 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 11 no BMRB 413 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 12 no BMRB 414 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 13 no BMRB 415 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 14 no BMRB 416 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 15 no BMRB 419 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 16 no BMRB 45 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 17 no BMRB 46 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 18 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 1.39e-33 . . . . 1156 1 19 no PDB 1BHC . "Bovine Pancreatic Trypsin Inhibitor Crystallized From Thiocyanate" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 20 no PDB 1BPI . "The Structure Of Bovine Pancreatic Trypsin Inhibitor At 125k: Definition Of Carboxyl-Terminal Residues Glycine-57 And Alanine-5" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 21 no PDB 1BPT . "Crevice-Forming Mutants Of Bpti: Crystal Structures Of F22a, Y23a, N43g, And F45a" . . . . . 100.00 58 98.28 98.28 1.43e-32 . . . . 1156 1 22 no PDB 1BTH . "Structure Of Thrombin Complexed With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 23 no PDB 1BTI . "Crevice-Forming Mutants In The Rigid Core Of Bovine Pancreatic Trypsin Inhibitor: Crystal Structures Of F22a, Y23a, N43g, And F" . . . . . 100.00 58 98.28 98.28 1.45e-32 . . . . 1156 1 24 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 1.39e-33 . . . . 1156 1 25 no PDB 1BZX . "The Crystal Structure Of Anionic Salmon Trypsin In Complex With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 26 no PDB 1CBW . "Bovine Chymotrypsin Complexed To Bpti" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 27 no PDB 1CO7 . "R117h Mutant Rat Anionic Trypsin Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)" . . . . . 100.00 99 100.00 100.00 2.25e-34 . . . . 1156 1 28 no PDB 1D0D . "Crystal Structure Of Tick Anticoagulant Protein Complexed With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 29 no PDB 1EAW . "Crystal Structure Of The Mtsp1 (matriptase)-bpti (aprotinin) Complex" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 30 no PDB 1F5R . "Rat Trypsinogen Mutant Complexed With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 65 100.00 100.00 1.34e-33 . . . . 1156 1 31 no PDB 1F7Z . "Rat Trypsinogen K15a Complexed With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 65 100.00 100.00 1.34e-33 . . . . 1156 1 32 no PDB 1FAN . "Crevice-Forming Mutants In The Rigid Core Of Bovine Pancreatic Trypsin Inhibitor: Crystal Structures Of F22a, Y23a, N43g, And F" . . . . . 100.00 58 98.28 98.28 1.45e-32 . . . . 1156 1 33 no PDB 1FY8 . "Crystal Structure Of The Deltaile16val17 Rat Anionic Trypsinogen-Bpti Complex" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 34 no PDB 1JV8 . "Nmr Structure Of Bpti Mutant G37a" . . . . . 100.00 58 98.28 98.28 5.64e-33 . . . . 1156 1 35 no PDB 1JV9 . "Nmr Structure Of Bpti Mutant G37a" . . . . . 100.00 58 98.28 98.28 5.64e-33 . . . . 1156 1 36 no PDB 1MTN . "Bovine Alpha-Chymotrypsin:bpti Crystallization" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 37 no PDB 1NAG . "Crevice-forming Mutants In The Rigid Core Of Bovine Pancreatic Trypsin Inhibitor: Crystal Structures Of F22a, Y23a, N43g, And F" . . . . . 100.00 58 98.28 98.28 1.13e-32 . . . . 1156 1 38 no PDB 1OA5 . "The Solution Structure Of Bovine Pancreatic Trypsin Inhibitor At High Pressure" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 39 no PDB 1OA6 . "The Solution Structure Of Bovine Pancreatic Trypsin Inhibitor At High Pressure" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 40 no PDB 1PIT . "Determination Of A High-Quality Nuclear Magnetic Resonance Solution Structure Of The Bovine Pancreatic Trypsin Inhibitor And Co" . . . . . 98.28 58 100.00 100.00 6.78e-33 . . . . 1156 1 41 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 1.39e-33 . . . . 1156 1 42 no PDB 1UUA . "Solution Structure Of A Truncated Bovine Pancreatic Trypsin Inhibitor, 3-58 Bpti" . . . . . 96.55 56 100.00 100.00 5.26e-32 . . . . 1156 1 43 no PDB 1YKT . "TrypsinBPTI COMPLEX MUTANT" . . . . . 96.55 56 100.00 100.00 3.19e-32 . . . . 1156 1 44 no PDB 2FI4 . "Crystal Structure Of A Bpti Variant (Cys14->ser) In Complex With Trypsin" . . . . . 100.00 58 98.28 98.28 1.02e-32 . . . . 1156 1 45 no PDB 2FI5 . "Crystal Structure Of A Bpti Variant (Cys38->ser) In Complex With Trypsin" . . . . . 100.00 58 98.28 98.28 1.02e-32 . . . . 1156 1 46 no PDB 2FTL . "Crystal Structure Of Trypsin Complexed With Bpti At 100k" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 47 no PDB 2FTM . "Crystal Structure Of Trypsin Complexed With The Bpti Variant (Tyr35- >gly)" . . . . . 100.00 58 98.28 98.28 2.75e-32 . . . . 1156 1 48 no PDB 2HEX . "Decamers Observed In The Crystals Of Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 49 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 1.39e-33 . . . . 1156 1 50 no PDB 2KAI . "Refined 2.5 Angstroms X-Ray Crystal Structure Of The Complex Formed By Porcine Kallikrein A And The Bovine Pancreatic Trypsin I" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 51 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 1.39e-33 . . . . 1156 1 52 no PDB 2R9P . "Human Mesotrypsin Complexed With Bovine Pancreatic Trypsin Inhibitor(Bpti)" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 53 no PDB 2RA3 . "Human Cationic Trypsin Complexed With Bovine Pancreatic Trypsin Inhibitor (bpti)" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 54 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 1.39e-33 . . . . 1156 1 55 no PDB 2TPI . "On The Disordered Activation Domain In Trypsinogen. Chemical Labelling And Low-Temperature Crystallography" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 56 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 1.39e-33 . . . . 1156 1 57 no PDB 3FP6 . "Anionic Trypsin In Complex With Bovine Pancreatic Trypsin Inhibitor (Bpti) Determined To The 1.49 A Resolution Limit" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 58 no PDB 3FP7 . "Anionic Trypsin Variant S195a In Complex With Bovine Pancreatic Trypsin Inhibitor (Bpti) Cleaved At The Scissile Bond (Lys15-Al" . . . . . 74.14 43 100.00 100.00 2.59e-21 . . . . 1156 1 59 no PDB 3FP8 . "Anionic Trypsin Variant S195a In Complex With Bovine Pancreatic Trypsin Inhibitor (Bpti) Determined To The 1.46 A Resolution Li" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 60 no PDB 3GYM . "Structure Of Prostasin In Complex With Aprotinin" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 61 no PDB 3LDI . "Crystal Structure Of Aprotinin In Complex With Sucrose Octasulfate: Unusual Interactions And Implication For Heparin Binding" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 62 no PDB 3LDJ . "Crystal Structure Of Aprotinin In Complex With Sucrose Octasulfate: Unusual Interactions And Implication For Heparin Binding" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 63 no PDB 3LDM . "Crystal Structure Of Aprotinin In Complex With Sucrose Octasulfate: Unusual Interactions And Implication For Heparin Binding" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 64 no PDB 3OTJ . "A Crystal Structure Of Trypsin Complexed With Bpti (Bovine Pancreatic Trypsin Inhibitor) By X-RayNEUTRON JOINT REFINEMENT" . . . . . 98.28 58 100.00 100.00 6.78e-33 . . . . 1156 1 65 no PDB 3TGI . "Wild-Type Rat Anionic Trypsin Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)" . . . . . 100.00 65 100.00 100.00 1.34e-33 . . . . 1156 1 66 no PDB 3TGJ . "S195a Trypsinogen Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)" . . . . . 100.00 65 100.00 100.00 1.34e-33 . . . . 1156 1 67 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 1.34e-33 . . . . 1156 1 68 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 1.39e-33 . . . . 1156 1 69 no PDB 3U1J . "Aprotinin Bound To Dengue Virus Protease" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 70 no PDB 4BNR . "Extremely Stable Complex Of Crayfish Trypsin With Bovine Trypsin Inhibitor" . . . . . 100.00 100 100.00 100.00 2.00e-34 . . . . 1156 1 71 no PDB 4DG4 . "Human Mesotrypsin-s39y Complexed With Bovine Pancreatic Trypsin Inhibitor (bpti)" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 72 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 1.39e-33 . . . . 1156 1 73 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 " . . . . . 100.00 58 98.28 100.00 4.07e-33 . . . . 1156 1 74 no PDB 4WWY . "Human Cationic Trypsin G193r Mutant In Complex With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 75 no PDB 4WXV . "Human Cationic Trypsin K97d Mutant In Complex With Bovine Pancreatic Trypsin Inhibitor (bpti)" . . . . . 94.83 55 100.00 100.00 1.85e-31 . . . . 1156 1 76 no PDB 4Y0Z . "Trypsin In Complex With With Bpti Mutant Aminobutyric Acid" . . . . . 100.00 58 98.28 98.28 8.16e-33 . . . . 1156 1 77 no PDB 4Y10 . "Trypsin In Complex With With Bpti Mutant (2s)-2-amino-4,4- Difluorobutanoic Acid" . . . . . 100.00 58 98.28 98.28 8.16e-33 . . . . 1156 1 78 no PDB 4Y11 . "Trypsin In Complex With With Bpti Mutant (2s)-2-amino-4,4,4- Trifluorobutanoic Acid" . . . . . 100.00 58 98.28 98.28 8.16e-33 . . . . 1156 1 79 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 6.78e-33 . . . . 1156 1 80 no PDB 6PTI . "Structure Of Form Iii Crystals Of Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 81 no PDB 8PTI . "Crystal Structure Of A Y35g Mutant Of Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 98.28 98.28 2.75e-32 . . . . 1156 1 82 no PDB 9PTI . "Basic Pancreatic Trypsin Inhibitor (met 52 Oxidized)" . . . . . 100.00 58 98.28 98.28 1.55e-32 . . . . 1156 1 83 no EMBL CAA27062 . "unnamed protein product [Bos taurus]" . . . . . 100.00 89 100.00 100.00 1.49e-33 . . . . 1156 1 84 no EMBL CAA27063 . "unnamed protein product [Bos taurus]" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 85 no EMBL CAA28371 . "unnamed protein product [synthetic construct]" . . . . . 100.00 59 100.00 100.00 1.13e-33 . . . . 1156 1 86 no EMBL CAA28886 . "trypsin ihibitor precursor [Bos taurus]" . . . . . 100.00 92 100.00 100.00 2.48e-34 . . . . 1156 1 87 no EMBL CAA37967 . "aprotinin [synthetic construct]" . . . . . 100.00 59 100.00 100.00 1.45e-33 . . . . 1156 1 88 no GB AAA72535 . "alkaline phosphatase/pancreatic trypsin inhibitor precursor [synthetic construct]" . . . . . 100.00 79 98.28 100.00 6.02e-34 . . . . 1156 1 89 no GB AAB25189 . "major cationic kallikrein inhibitor [cattle, posterior pituitary gland, Peptide, 58 aa]" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 90 no GB AAD13685 . "trypsin inhibitor [Bos taurus]" . . . . . 100.00 100 100.00 100.00 2.00e-34 . . . . 1156 1 91 no GB ABX57797 . "aprotinin precursor [Plastid transformation vector pAPR20]" . . . . . 100.00 104 100.00 100.00 6.80e-35 . . . . 1156 1 92 no GB ABX57799 . "aprotinin precursor [Plastid transformation vector pAPR21]" . . . . . 100.00 100 100.00 100.00 9.39e-35 . . . . 1156 1 93 no PRF 1405218A . "aprotinin analog" . . . . . 98.28 57 100.00 100.00 5.69e-33 . . . . 1156 1 94 no PRF 1405218D . "aprotinin analog" . . . . . 100.00 59 100.00 100.00 1.17e-33 . . . . 1156 1 95 no PRF 1510193A . BPTI . . . . . 100.00 100 98.28 100.00 8.30e-34 . . . . 1156 1 96 no PRF 681071A . "inhibitor,basic pancreatic trypsin" . . . . . 100.00 58 100.00 100.00 1.39e-33 . . . . 1156 1 97 no SP P00974 . "RecName: Full=Pancreatic trypsin inhibitor; AltName: Full=Aprotinin; AltName: Full=Basic protease inhibitor; Short=BPI; Short=B" . . . . . 100.00 100 100.00 100.00 2.00e-34 . . . . 1156 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'basic pancreatic trypsin inhibitor' common 1156 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 . 1156 1 2 . PRO . 1156 1 3 . ASP . 1156 1 4 . PHE . 1156 1 5 . CYS . 1156 1 6 . LEU . 1156 1 7 . GLU . 1156 1 8 . PRO . 1156 1 9 . PRO . 1156 1 10 . TYR . 1156 1 11 . THR . 1156 1 12 . GLY . 1156 1 13 . PRO . 1156 1 14 . CYS . 1156 1 15 . LYS . 1156 1 16 . ALA . 1156 1 17 . ARG . 1156 1 18 . ILE . 1156 1 19 . ILE . 1156 1 20 . ARG . 1156 1 21 . TYR . 1156 1 22 . PHE . 1156 1 23 . TYR . 1156 1 24 . ASN . 1156 1 25 . ALA . 1156 1 26 . LYS . 1156 1 27 . ALA . 1156 1 28 . GLY . 1156 1 29 . LEU . 1156 1 30 . CYS . 1156 1 31 . GLN . 1156 1 32 . THR . 1156 1 33 . PHE . 1156 1 34 . VAL . 1156 1 35 . TYR . 1156 1 36 . GLY . 1156 1 37 . GLY . 1156 1 38 . CYS . 1156 1 39 . ARG . 1156 1 40 . ALA . 1156 1 41 . LYS . 1156 1 42 . ARG . 1156 1 43 . ASN . 1156 1 44 . ASN . 1156 1 45 . PHE . 1156 1 46 . LYS . 1156 1 47 . SER . 1156 1 48 . ALA . 1156 1 49 . GLU . 1156 1 50 . ASP . 1156 1 51 . CYS . 1156 1 52 . MET . 1156 1 53 . ARG . 1156 1 54 . THR . 1156 1 55 . CYS . 1156 1 56 . GLY . 1156 1 57 . GLY . 1156 1 58 . ALA . 1156 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 1156 1 . PRO 2 2 1156 1 . ASP 3 3 1156 1 . PHE 4 4 1156 1 . CYS 5 5 1156 1 . LEU 6 6 1156 1 . GLU 7 7 1156 1 . PRO 8 8 1156 1 . PRO 9 9 1156 1 . TYR 10 10 1156 1 . THR 11 11 1156 1 . GLY 12 12 1156 1 . PRO 13 13 1156 1 . CYS 14 14 1156 1 . LYS 15 15 1156 1 . ALA 16 16 1156 1 . ARG 17 17 1156 1 . ILE 18 18 1156 1 . ILE 19 19 1156 1 . ARG 20 20 1156 1 . TYR 21 21 1156 1 . PHE 22 22 1156 1 . TYR 23 23 1156 1 . ASN 24 24 1156 1 . ALA 25 25 1156 1 . LYS 26 26 1156 1 . ALA 27 27 1156 1 . GLY 28 28 1156 1 . LEU 29 29 1156 1 . CYS 30 30 1156 1 . GLN 31 31 1156 1 . THR 32 32 1156 1 . PHE 33 33 1156 1 . VAL 34 34 1156 1 . TYR 35 35 1156 1 . GLY 36 36 1156 1 . GLY 37 37 1156 1 . CYS 38 38 1156 1 . ARG 39 39 1156 1 . ALA 40 40 1156 1 . LYS 41 41 1156 1 . ARG 42 42 1156 1 . ASN 43 43 1156 1 . ASN 44 44 1156 1 . PHE 45 45 1156 1 . LYS 46 46 1156 1 . SER 47 47 1156 1 . ALA 48 48 1156 1 . GLU 49 49 1156 1 . ASP 50 50 1156 1 . CYS 51 51 1156 1 . MET 52 52 1156 1 . ARG 53 53 1156 1 . THR 54 54 1156 1 . CYS 55 55 1156 1 . GLY 56 56 1156 1 . GLY 57 57 1156 1 . ALA 58 58 1156 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 1156 _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 $basic_pancreatic_trypsin_inhibitor . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . pancreas . . . . . . . . . . . . . . . . 1156 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 1156 _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 $basic_pancreatic_trypsin_inhibitor . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1156 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1156 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1156 _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 4.6 . na 1156 1 temperature 341 . K 1156 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1156 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 1156 _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 unknown unknown . 0 'spectrometer information not available' . . 1156 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 1156 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1156 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1156 _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 . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1156 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_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1156 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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_one . 1156 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 45 45 PHE HD1 H 1 7.4 . . 1 . . . . . . . . 1156 1 2 . 1 1 45 45 PHE HD2 H 1 7.4 . . 1 . . . . . . . . 1156 1 3 . 1 1 45 45 PHE HE1 H 1 7.87 . . 1 . . . . . . . . 1156 1 4 . 1 1 45 45 PHE HE2 H 1 7.87 . . 1 . . . . . . . . 1156 1 stop_ save_