data_6414 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6414 _Entry.Title ; FRAGMENT 33-61 OF BOVINE alpha-HEMOGLBIN: THE EFFECT OF C-TERMINAL AMIDATION AND IDENTIFICATION OF THE MINIMAL PORTION WITH ANTIFUNGAL ACTIVITY ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-06 _Entry.Accession_date 2004-12-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Alessandra Machado . . . 6414 2 Mauricio Sforca . L. . 6414 3 Antonio Miranda . . . 6414 4 Sirlei Daffre . . . 6414 5 Alberto Spisni . . . 6414 6 Thelma Pertinhez . A. . 6414 7 'M. Teresa' Miranda . M. . 6414 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6414 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 101 6414 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 . . 2008-07-17 . update BMRB 'Updating non-standard residue' 6414 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6411 'Amidated fragment 48-61 of bovine alpha-hemoglobin' 6414 BMRB 6412 'Fragment 48-61 of bovine alpha-hemoglobin' 6414 BMRB 6413 'Fragment 40-61' 6414 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6414 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15850378 _Citation.Full_citation . _Citation.Title ; The micelle-bound structure of an antimicrobial peptide derived from the alpha-chain of bovine hemoglobin isolated from the tick Boophilus microplus. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 17 _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 6440 _Citation.Page_last 6451 _Citation.Year 2005 _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 Mauricio Sforca . L. . 6414 1 2 Alessandra Machado . . . 6414 1 3 Rita Figueredo . C. . 6414 1 4 Sergio Oyama . . Jr. 6414 1 5 Fernanda Silva . D. . 6414 1 6 Antonio Miranda . . . 6414 1 7 Sirlei Daffre . . . 6414 1 8 M. Miranda . Teresa . 6414 1 9 Alberto Spisni . . . 6414 1 10 Thelma Pertinhez . A. . 6414 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'antimicrobial peptide' 6414 1 'MINIMAL PEPTIDE SEQUENCE' 6414 1 'STRUCTURAL REQUIREMENTS' 6414 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6414 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio, F.; Grzesiek, S.; Vuister, G. W.; Zhu, G.; Pfeifer, J.; Bax, A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR 1995, 6, 277-293; Johnson, B.; Blevins, R. A. NMRView: A computer program for the visualization and analysis of NMR data. J. Biomol. NMR 1994, 4, 603-614. ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F. Delaglio F. . . 6414 2 2 S. Grzesiek S. . . 6414 2 3 'G. W.' Vuister G. W. . 6414 2 4 G. Zhu G. . . 6414 2 5 J. Pfeifer J. . . 6414 2 6 A. Bax A. . . 6414 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hb33-52a _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hb33-52a _Assembly.Entry_ID 6414 _Assembly.ID 1 _Assembly.Name 'amidated fragment 33-52 of bovine alpha-hemoglobin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6414 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 'amidated fragment 33-52' 1 $33-52_amidated_fragment . . . native . . . . . 6414 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'amidated fragment 33-52 of bovine alpha-hemoglobin' system 6414 1 hb33-52a abbreviation 6414 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_33-52_amidated_fragment _Entity.Sf_category entity _Entity.Sf_framecode 33-52_amidated_fragment _Entity.Entry_ID 6414 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'amidated fragment 33-52' _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 ; FLSFPTTKTYFPHFDLSHGS X ; _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 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2327.6 _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 1101 . "hemoglobin A alpha chain" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 2 no BMRB 16891 . HBA1 . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 3 no BMRB 16898 . HBA1 . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 4 no BMRB 25 . "hemoglobin A alpha chain" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 5 no BMRB 2707 . "hemoglobin A alpha chain" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 6 no BMRB 2709 . "hemoglobin A alpha chain" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 7 no BMRB 2868 . "hemoglobin A alpha chain" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 8 no BMRB 3442 . "hemoglobin A alpha chain" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 9 no BMRB 5809 . Hb_A . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 10 no BMRB 6048 . Hb3361a . . . . . 95.00 29 100.00 100.00 1.01e-03 . . . . 6414 1 11 no BMRB 907 . "hemoglobin A alpha chain" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 12 no PDB 1A00 . "Hemoglobin (Val Beta1 Met, Trp Beta37 Tyr) Mutant" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 13 no PDB 1A01 . "Hemoglobin (Val Beta1 Met, Trp Beta37 Ala) Mutant" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 14 no PDB 1A0U . "Hemoglobin (Val Beta1 Met) Mutant" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 15 no PDB 1A0Z . "Hemoglobin (Val Beta1 Met) Mutant" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 16 no PDB 1A3N . "Deoxy Human Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 17 no PDB 1A9W . "Human Embryonic Gower Ii Carbonmonoxy Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 18 no PDB 1ABW . "Deoxy Rhb1.1 (Recombinant Hemoglobin)" . . . . . 95.00 283 100.00 100.00 1.93e-03 . . . . 6414 1 19 no PDB 1ABY . "Cyanomet Rhb1.1 (Recombinant Hemoglobin)" . . . . . 95.00 283 100.00 100.00 1.93e-03 . . . . 6414 1 20 no PDB 1AJ9 . "R-State Human Carbonmonoxyhemoglobin Alpha-A53s" . . . . . 95.00 141 100.00 100.00 4.69e-04 . . . . 6414 1 21 no PDB 1B86 . "Human Deoxyhaemoglobin-2,3-Diphosphoglycerate Complex" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 22 no PDB 1BAB . "Hemoglobin Thionville: An Alpha-Chain Variant With A Substitution Of A Glutamate For Valine At Na-1 And Having An Acetylated Me" . . . . . 95.00 143 100.00 100.00 4.59e-04 . . . . 6414 1 23 no PDB 1BBB . "A Third Quaternary Structure Of Human Hemoglobin A At 1.7-angstroms Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 24 no PDB 1BIJ . "Crosslinked, Deoxy Human Hemoglobin A" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 25 no PDB 1BUW . "Crystal Structure Of S-Nitroso-Nitrosyl Human Hemoglobin A" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 26 no PDB 1BZ0 . "Hemoglobin A (Human, Deoxy, High Salt)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 27 no PDB 1BZ1 . "Hemoglobin (Alpha + Met) Variant" . . . . . 95.00 142 100.00 100.00 4.50e-04 . . . . 6414 1 28 no PDB 1BZZ . "Hemoglobin (Alpha V1m) Mutant" . . . . . 95.00 141 100.00 100.00 4.64e-04 . . . . 6414 1 29 no PDB 1C7B . "Deoxy Rhb1.0 (Recombinant Hemoglobin)" . . . . . 95.00 141 100.00 100.00 4.64e-04 . . . . 6414 1 30 no PDB 1C7C . "Deoxy Rhb1.1 (Recombinant Hemoglobin)" . . . . . 95.00 283 100.00 100.00 1.93e-03 . . . . 6414 1 31 no PDB 1C7D . "Deoxy Rhb1.2 (Recombinant Hemoglobin)" . . . . . 95.00 284 100.00 100.00 1.92e-03 . . . . 6414 1 32 no PDB 1CLS . "Cross-Linked Human Hemoglobin Deoxy" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 33 no PDB 1CMY . "The Mutation Beta99 Asp-Tyr Stabilizes Y-A New, Composite Quaternary State Of Human Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 34 no PDB 1COH . "Structure Of Haemoglobin In The Deoxy Quaternary State With Ligand Bound At The Alpha Haems" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 35 no PDB 1DKE . "Ni Beta Heme Human Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 36 no PDB 1DXT . "High-Resolution X-Ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 37 no PDB 1DXU . "High-Resolution X-Ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 38 no PDB 1DXV . "High-resolution X-ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-globins Having Mutated Amino Termini" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 39 no PDB 1FDH . "Structure Of Human Foetal Deoxyhaemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 40 no PDB 1FN3 . "Crystal Structure Of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 41 no PDB 1FSX . "The X-Ray Structure Determination Of Bovine Carbonmonoxy Hb At 2.1 A Resolution And Its Relationship To The Quaternary Structur" . . . . . 95.00 141 100.00 100.00 4.46e-04 . . . . 6414 1 42 no PDB 1G08 . "Carbonmonoxy Liganded Bovine Hemoglobin Ph 5.0" . . . . . 95.00 141 100.00 100.00 4.46e-04 . . . . 6414 1 43 no PDB 1G09 . "Carbonmonoxy Liganded Bovine Hemoglobin Ph 7.2" . . . . . 95.00 141 100.00 100.00 4.46e-04 . . . . 6414 1 44 no PDB 1G0A . "Carbonmonoxy Liganded Bovine Hemoglobin Ph 8.5" . . . . . 95.00 141 100.00 100.00 4.46e-04 . . . . 6414 1 45 no PDB 1G9V . "High Resolution Crystal Structure Of Deoxy Hemoglobin Complexed With A Potent Allosteric Effector" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 46 no PDB 1GBU . "Deoxy (Beta-(C93a,C112g)) Human Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 47 no PDB 1GBV . "(Alpha-Oxy, Beta-(C112g)deoxy) T-State Human Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 48 no PDB 1GZX . "Oxy T State Haemoglobin: Oxygen Bound At All Four Haems" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 49 no PDB 1HAB . "Crosslinked Haemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 50 no PDB 1HAC . "Crosslinked Haemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 51 no PDB 1HBA . "High-Resolution X-Ray Study Of Deoxyhemoglobin Rothschild 37beta Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Bi" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 52 no PDB 1HBB . "High-Resolution X-Ray Study Of Deoxyhemoglobin Rothschild 37beta Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Bi" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 53 no PDB 1HBS . "Refined Crystal Structure Of Deoxyhemoglobin S. I. Restrained Least-Squares Refinement At 3.0-Angstroms Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 54 no PDB 1HCO . "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 55 no PDB 1HDA . "A Novel Allosteric Mechanism In Haemoglobin. Structure Of Bovine Deoxyhaemoglobin, Absence Of Specific Chloride- Binding Sites " . . . . . 95.00 141 100.00 100.00 4.46e-04 . . . . 6414 1 56 no PDB 1HDB . "Analysis Of The Crystal Structure, Molecular Modeling And Infrared Spectroscopy Of The Distal Beta-Heme Pocket Valine67(E11)-Th" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 57 no PDB 1HDS . "Macromolecular Structure Refinement By Restrained Least- Squares And Interactive Graphics As Applied To Sickling Deer Type Iii " . . . . . 95.00 141 100.00 100.00 3.39e-04 . . . . 6414 1 58 no PDB 1HGA . "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-state Haemoglobins: T(alpha-o" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 59 no PDB 1HGB . "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-State Haemoglobins: T(Alpha-O" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 60 no PDB 1HGC . "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-state Haemoglobins: T(alpha-o" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 61 no PDB 1HHO . "Structure Of Human Oxyhaemoglobin At 2.1 Angstroms Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 62 no PDB 1IRD . "Crystal Structure Of Human Carbonmonoxy-Haemoglobin At 1.25 A Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 63 no PDB 1J3Y . "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Hemoglobin; Crystal Structure Of Alpha(Fe)-Beta(N" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 64 no PDB 1J3Z . "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Fe-Co)-Be" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 65 no PDB 1J40 . "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Ni)-Beta(" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 66 no PDB 1J41 . "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Ni)-Beta(" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 67 no PDB 1J7S . "Crystal Structure Of Deoxy Hbalphayq, A Mutant Of Hba" . . . . . 95.00 141 100.00 100.00 4.32e-04 . . . . 6414 1 68 no PDB 1J7W . "Crystal Structure Of Deoxy Hbbetayq, A Site Directed Mutant Of Hba" . . . . . 95.00 141 100.00 100.00 4.64e-04 . . . . 6414 1 69 no PDB 1J7Y . "Crystal Structure Of Partially Ligated Mutant Of Hba" . . . . . 95.00 141 100.00 100.00 4.32e-04 . . . . 6414 1 70 no PDB 1JY7 . "The Structure Of Human Methemoglobin. The Variation Of A Theme" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 71 no PDB 1K0Y . "X-ray Crystallographic Analyses Of Symmetrical Allosteric Effectors Of Hemoglobin. Compounds Designed To Link Primary And Secon" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 72 no PDB 1K1K . "Structure Of Mutant Human Carbonmonoxyhemoglobin C (beta E6k) At 2.0 Angstrom Resolution In Phosphate Buffer." . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 73 no PDB 1KD2 . "Crystal Structure Of Human Deoxyhemoglobin In Absence Of Any Anions" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 74 no PDB 1LFL . "Deoxy Hemoglobin (90% Relative Humidity)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 75 no PDB 1LFQ . "Oxy Hemoglobin (93% Relative Humidity)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 76 no PDB 1LFT . "Oxy Hemoglobin (90% Relative Humidity)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 77 no PDB 1LFV . "Oxy Hemoglobin (88% Relative Humidity)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 78 no PDB 1LFY . "Oxy Hemoglobin (84% Relative Humidity)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 79 no PDB 1LFZ . "Oxy Hemoglobin (25% Methanol)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 80 no PDB 1LJW . "Crystal Structure Of Human Carbonmonoxy Hemoglobin At 2.16 A: A Snapshot Of The Allosteric Transition" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 81 no PDB 1M9P . "Crystalline Human Carbonmonoxy Hemoglobin C Exhibits The R2 Quaternary State At Neutral Ph In The Presence Of Polyethylene Glyc" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 82 no PDB 1MKO . "A Fourth Quaternary Structure Of Human Hemoglobin A At 2.18 A Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 83 no PDB 1NEJ . "Crystalline Human Carbonmonoxy Hemoglobin S (liganded Sickle Cell Hemoglobin) Exhibits The R2 Quaternary State At Neutral Ph In" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 84 no PDB 1NIH . "Structure Of Deoxy-Quaternary Haemoglobin With Liganded Beta Subunits" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 85 no PDB 1NQP . "Crystal Structure Of Human Hemoglobin E At 1.73 A Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 86 no PDB 1O1I . "Cyanomet Hemoglobin (a-gly-c:v1m,l29f,h58q; B,d:v1m,l106w)" . . . . . 95.00 141 100.00 100.00 4.41e-04 . . . . 6414 1 87 no PDB 1O1J . "Deoxy Hemoglobin (a-gly-c:v1m,l29f,h58q; B,d:v1m,l106w)" . . . . . 95.00 283 100.00 100.00 1.87e-03 . . . . 6414 1 88 no PDB 1O1K . "Deoxy Hemoglobin (A,C:v1m; B,D:v1m,V67w)" . . . . . 95.00 141 100.00 100.00 4.64e-04 . . . . 6414 1 89 no PDB 1O1L . "Deoxy Hemoglobin (A-Gly-C:v1m,L29w,H58q; B,D:v1m)" . . . . . 95.00 283 100.00 100.00 1.82e-03 . . . . 6414 1 90 no PDB 1O1M . "Deoxy Hemoglobin (a-glyglygly-c:v1m,l29f,h58q B,d:v1m,v67w)" . . . . . 95.00 285 100.00 100.00 1.94e-03 . . . . 6414 1 91 no PDB 1O1N . "Deoxy Hemoglobin (A-Glyglygly-C:v1m,L29w; B,D:v1m)" . . . . . 95.00 285 100.00 100.00 1.98e-03 . . . . 6414 1 92 no PDB 1O1O . "Deoxy Hemoglobin (A,C:v1m,V62l; B,D:v1m,V67l)" . . . . . 95.00 141 100.00 100.00 4.73e-04 . . . . 6414 1 93 no PDB 1O1P . "Deoxy Hemoglobin (A-Gly-C:v1m; B,D:v1m,C93a,N108k)" . . . . . 95.00 283 100.00 100.00 1.93e-03 . . . . 6414 1 94 no PDB 1QI8 . "Deoxygenated Structure Of A Distal Pocket Hemoglobin Mutant" . . . . . 95.00 141 100.00 100.00 4.32e-04 . . . . 6414 1 95 no PDB 1QSH . "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 96 no PDB 1QSI . "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 97 no PDB 1QXD . "Structural Basis For The Potent Antisickling Effect Of A Novel Class Of 5-Membered Heterocyclic Aldehydic Compounds" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 98 no PDB 1QXE . "Structural Basis For The Potent Antisickling Effect Of A Novel Class Of 5-Membered Heterocyclic Aldehydic Compounds" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 99 no PDB 1R1X . "Crystal Structure Of Oxy-Human Hemoglobin Bassett At 2.15 Angstrom" . . . . . 95.00 141 100.00 100.00 4.28e-04 . . . . 6414 1 100 no PDB 1R1Y . "Crystal Structure Of Deoxy-Human Hemoglobin Bassett At 1.8 Angstrom" . . . . . 95.00 141 100.00 100.00 4.28e-04 . . . . 6414 1 101 no PDB 1RPS . "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin. Hemoglobin Exposed To No Under" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 102 no PDB 1RQ3 . "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Deoxyhemoglobin, Deoxyhemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 103 no PDB 1RQ4 . "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin, Hemoglobin Exposed To No Under" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 104 no PDB 1RQA . "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin. Beta W73e Hemoglobin Exposed T" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 105 no PDB 1RVW . "R State Human Hemoglobin [alpha V96w], Carbonmonoxy" . . . . . 95.00 141 100.00 100.00 4.88e-04 . . . . 6414 1 106 no PDB 1SDK . "Cross-linked, Carbonmonoxy Hemoglobin A" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 107 no PDB 1SDL . "Cross-Linked, Carbonmonoxy Hemoglobin A" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 108 no PDB 1SHR . "Crystal Structure Of Ferrocyanide Bound Human Hemoglobin A2 At 1.88a Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 109 no PDB 1SI4 . "Crystal Structure Of Human Hemoglobin A2 (In R2 State) At 2.2 A Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 110 no PDB 1THB . "Refinement Of A Partially Oxygenated T State Haemoglobin At 1.5 Angstroms Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 111 no PDB 1UIW . "Crystal Structures Of Unliganded And Half-Liganded Human Hemoglobin Derivatives Cross-Linked Between Lys 82beta1 And Lys 82beta" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 112 no PDB 1VWT . "T State Human Hemoglobin [alpha V96w], Alpha Aquomet, Beta Deoxy" . . . . . 95.00 141 100.00 100.00 4.88e-04 . . . . 6414 1 113 no PDB 1XXT . "The T-To-T High Transitions In Human Hemoglobin: Wild-Type Deoxy Hb A (Low Salt, One Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 114 no PDB 1XZ2 . "Wild-Type Hemoglobin Deoxy No-Salt" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 115 no PDB 1XZ5 . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphal91a Deoxy Low-Salt" . . . . . 95.00 141 100.00 100.00 4.41e-04 . . . . 6414 1 116 no PDB 1XZ7 . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphar92a Deoxy Low-Salt" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 117 no PDB 1XZU . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphad94g Deoxy Low-Salt" . . . . . 95.00 141 100.00 100.00 4.64e-04 . . . . 6414 1 118 no PDB 1XZV . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphap95a Deoxy Low-Salt" . . . . . 95.00 141 100.00 100.00 3.91e-04 . . . . 6414 1 119 no PDB 1Y01 . "Crystal Structure Of Ahsp Bound To Fe(Ii) Alpha-Hemoglobin" . . . . . 95.00 142 100.00 100.00 4.50e-04 . . . . 6414 1 120 no PDB 1Y09 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphan97a Deoxy Low-Salt" . . . . . 95.00 141 100.00 100.00 4.50e-04 . . . . 6414 1 121 no PDB 1Y0A . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140a Deoxy Low-Salt" . . . . . 95.00 141 100.00 100.00 4.23e-04 . . . . 6414 1 122 no PDB 1Y0C . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140f Deoxy Low-Salt" . . . . . 95.00 141 100.00 100.00 4.69e-04 . . . . 6414 1 123 no PDB 1Y0D . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Desarg141alpha Deoxy Low-Salt" . . . . . 95.00 140 100.00 100.00 4.64e-04 . . . . 6414 1 124 no PDB 1Y0T . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav1m Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 125 no PDB 1Y0W . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Betav1m Deoxy Low-Salt (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 126 no PDB 1Y22 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav33a Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 127 no PDB 1Y2Z . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav34g Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 128 no PDB 1Y31 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35a Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 129 no PDB 1Y35 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35f Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 130 no PDB 1Y45 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap36a Deoxy Low-Salt (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 131 no PDB 1Y46 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37y Deoxy Low-Salt (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 132 no PDB 1Y4B . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37h Deoxy Low-Salt (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 133 no PDB 1Y4F . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37a Deoxy Low-Salt (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 134 no PDB 1Y4G . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37g Deoxy Low-Salt (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 135 no PDB 1Y4P . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37e Deoxy Low-Salt (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 136 no PDB 1Y4Q . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaf42a Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 137 no PDB 1Y4R . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaf45a Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 138 no PDB 1Y4V . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betac93a Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 139 no PDB 1Y5F . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betal96a Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 140 no PDB 1Y5J . "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betah97a Deoxy Low-salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 141 no PDB 1Y5K . "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betad99a Deoxy Low-salt (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 142 no PDB 1Y7C . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap100a Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 143 no PDB 1Y7D . "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betap100g Deoxy Low-salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 144 no PDB 1Y7G . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betan102a Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 145 no PDB 1Y7Z . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betan108a Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 146 no PDB 1Y83 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay145g Deoxy Low-Salt (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 147 no PDB 1Y85 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Deshis146beta Deoxy Low-Salt" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 148 no PDB 1Y8W . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphar92a Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 149 no PDB 1YDZ . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphay140f Oxy (2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.69e-04 . . . . 6414 1 150 no PDB 1YE0 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav33a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 151 no PDB 1YE1 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 152 no PDB 1YE2 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35f Oxy (2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 153 no PDB 1YEN . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap36a Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 154 no PDB 1YEO . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37a Oxy (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 155 no PDB 1YEQ . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37y Oxy (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 156 no PDB 1YEU . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37g Oxy (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 157 no PDB 1YEV . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37e Oxy (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 158 no PDB 1YFF . "Structure Of Human Carbonmonoxyhemoglobin C (beta E6k): Two Quaternary States (r2 And R3) In One Crystal" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 159 no PDB 1YG5 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37h Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 160 no PDB 1YGD . "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betaw37e Alpha Zinc Beta Oxy (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 161 no PDB 1YGF . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betah97a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 162 no PDB 1YH9 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 163 no PDB 1YHE . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (5.0mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 164 no PDB 1YHR . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (10.0mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 165 no PDB 1YIE . "T-to-thigh Quaternary Transitions In Human Hemoglobin: Betaw37a Oxy (2.2mm Ihp, 13% Peg) (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 166 no PDB 1YIH . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap100a Oxy (2.2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 167 no PDB 1YVQ . "The Low Salt (Peg) Crystal Structure Of Co Hemoglobin E (Betae26k) Approaching Physiological Ph (Ph 7.5)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 168 no PDB 1YVT . "The High Salt (Phosphate) Crystal Structure Of Co Hemoglobin E (Glu26lys) At Physiological Ph (Ph 7.35)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 169 no PDB 1YZI . "A Novel Quaternary Structure Of Human Carbonmonoxy Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 170 no PDB 1Z8U . "Crystal Structure Of Oxidized Alpha Hemoglobin Bound To Ahsp" . . . . . 95.00 142 100.00 100.00 4.50e-04 . . . . 6414 1 171 no PDB 2D5Z . "Crystal Structure Of T-State Human Hemoglobin Complexed With Three L35 Molecules" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 172 no PDB 2D60 . "Crystal Structure Of Deoxy Human Hemoglobin Complexed With Two L35 Molecules" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 173 no PDB 2DN1 . "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Oxy Form" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 174 no PDB 2DN2 . "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Deoxy Form" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 175 no PDB 2DN3 . "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Carbonmonoxy Form" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 176 no PDB 2DXM . "Neutron Structure Analysis Of Deoxy Human Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 177 no PDB 2H35 . "Solution Structure Of Human Normal Adult Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 178 no PDB 2HBC . "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 179 no PDB 2HBD . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 180 no PDB 2HBE . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 181 no PDB 2HBF . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 182 no PDB 2HBS . "The High Resolution Crystal Structure Of Deoxyhemoglobin S" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 183 no PDB 2HCO . "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 184 no PDB 2HHB . "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 185 no PDB 2HHD . "Oxygen Affinity Modulation By The N-Termini Of The Beta- Chains In Human And Bovine Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 186 no PDB 2HHE . "Oxygen Affinity Modulation By The N-Termini Of The Beta Chains In Human And Bovine Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 187 no PDB 2M6Z . "Refined Solution Structure Of Human Adult Hemoglobin In The Carbonmonoxy Form" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 188 no PDB 2QSP . "Bovine Hemoglobin At Ph 5.7" . . . . . 95.00 141 100.00 100.00 4.46e-04 . . . . 6414 1 189 no PDB 2QSS . "Bovine Hemoglobin At Ph 6.3" . . . . . 95.00 141 100.00 100.00 4.46e-04 . . . . 6414 1 190 no PDB 2QU0 . "Crystal Structure Determination Of Sheep Methemoglobin At 2.7 Angstrom Resolution" . . . . . 95.00 141 100.00 100.00 4.78e-04 . . . . 6414 1 191 no PDB 2RI4 . "Crystal Structure Determination Of Goat Methemoglobin At 2.7 Angstrom" . . . . . 95.00 141 100.00 100.00 4.78e-04 . . . . 6414 1 192 no PDB 2W6V . "Structure Of Human Deoxy Hemoglobin A In Complex With Xenon" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 193 no PDB 2W72 . "Deoxygenated Structure Of A Distal Site Hemoglobin Mutant Plus Xe" . . . . . 95.00 141 100.00 100.00 4.32e-04 . . . . 6414 1 194 no PDB 2YRS . "Human Hemoglobin D Los Angeles: Crystal Structure" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 195 no PDB 3B75 . "Crystal Structure Of Glycated Human Haemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 196 no PDB 3CIU . "Site-Selective Glycosylation Of Cysteine-93 Beta On The Surface Of Bovine Hemoglobin And Its Application As A Novel Oxygen Ther" . . . . . 95.00 141 100.00 100.00 4.46e-04 . . . . 6414 1 197 no PDB 3CY5 . "Crystal Structure Determination Of Buffalo (Bubalus Bubalis) Hemoglobin At 2 Angstrom Resolution" . . . . . 95.00 141 100.00 100.00 4.83e-04 . . . . 6414 1 198 no PDB 3D17 . "A Triply Ligated Crystal Structure Of Relaxed State Human Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 199 no PDB 3D1A . "Crystal Structure Determination Of Goat Hemoglobin At 2.61 Angstrom Resolution" . . . . . 95.00 142 100.00 100.00 4.93e-04 . . . . 6414 1 200 no PDB 3D7O . "Human Hemoglobin, Nitrogen Dioxide Anion Modified" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 201 no PDB 3DUT . "The High Salt (Phosphate) Crystal Structure Of Deoxy Hemoglobin E (Glu26lys) At Physiological Ph (Ph 7.35)" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 202 no PDB 3EU1 . "Crystal Structure Determination Of Goat Hemoglobin (Capra Hircus) At 3 Angstrom Resolution" . . . . . 95.00 141 100.00 100.00 4.78e-04 . . . . 6414 1 203 no PDB 3HHB . "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 204 no PDB 3HXN . "The Structure Of Human Carbonmonoxyhemoglobin Complex To Ihp At 2.0 Angstrons Resolution." . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 205 no PDB 3IA3 . "A Cis-Proline In Alpha-Hemoglobin Stabilizing Protein Directs The Structural Reorganization Of Alpha-Hemoglobin" . . . . . 95.00 145 100.00 100.00 4.98e-04 . . . . 6414 1 206 no PDB 3IC0 . "Crystal Structure Of Liganded Hemoglobin In Complex With A Potent Antisickling Agent, Inn-298" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 207 no PDB 3IC2 . "Crystal Structure Of Liganded Hemoglobin In Complex With A Potent Antisickling Agent, Inn-266" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 208 no PDB 3KMF . "Room Temperature Time-Of-Flight Neutron Diffraction Study Of Deoxy Human Normal Adult Hemoglobin" . . . . . 95.00 141 100.00 100.00 4.78e-04 . . . . 6414 1 209 no PDB 3NL7 . "Human Hemoglobin A Mutant Beta H63w Carbonmonoxy-Form" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 210 no PDB 3NMM . "Human Hemoglobin A Mutant Alpha H58w Deoxy-Form" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 211 no PDB 3ODQ . "Structure Of A Crystal Form Of Human Methemoglobin Indicative Of Fiber Formation" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 212 no PDB 3ONZ . "Human Tetrameric Hemoglobin: Proximal Nitrite Ligand At Beta" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 213 no PDB 3OO4 . "R-State Human Hemoglobin: Nitriheme Modified At Alpha" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 214 no PDB 3OO5 . "R-State Human Hemoglobin: Nitriheme Modified" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 215 no PDB 3OVU . "Crystal Structure Of Human Alpha-Haemoglobin Complexed With Ahsp And The First Neat Domain Of Isdh From Staphylococcus Aureus" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 216 no PDB 3P5Q . "Ferric R-State Human Aquomethemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 217 no PDB 3PI8 . "Site-Specific Glycosylation Of Hemoglobin Utilizing Oxime Ligation Chemistry As A Viable Alternative To Pegylation" . . . . . 95.00 141 100.00 100.00 4.46e-04 . . . . 6414 1 218 no PDB 3PI9 . "Site-Specific Glycosylation Of Hemoglobin Utilizing Oxime Ligation Chemistry As A Viable Alternative To Pegylation" . . . . . 95.00 141 100.00 100.00 4.46e-04 . . . . 6414 1 219 no PDB 3PIA . "Site-Specific Glycosylation Of Hemoglobin Utilizing Oxime Ligation Chemistry As A Viable Alternative To Pegylation" . . . . . 95.00 141 100.00 100.00 4.46e-04 . . . . 6414 1 220 no PDB 3QJB . "Human Hemoglobin A Mutant Alpha H58l Carbonmonoxy-Form" . . . . . 95.00 141 100.00 100.00 4.28e-04 . . . . 6414 1 221 no PDB 3QJC . "Human Hemoglobin A Mutant Beta H63l Carbonmonoxy-Form" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 222 no PDB 3QJD . "Human Hemoglobin A Mutant Alpha H58l Deoxy-Form" . . . . . 95.00 141 100.00 100.00 4.28e-04 . . . . 6414 1 223 no PDB 3QJE . "Human Hemoglobin A Mutant Beta H63l Deoxy-Form" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 224 no PDB 3R5I . "Crystal Structure Of Liganded Hemoglobin Complexed With A Potent Antisickling Agent, Inn-312" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 225 no PDB 3S48 . "Human Alpha-haemoglobin Complexed With The First Neat Domain Of Isdh From Staphylococcus Aureus" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 226 no PDB 3S65 . "Structures And Oxygen Affinities Of Crystalline Human Hemoglobin C (Beta6 Lys) In The R2 Quaternary Structures" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 227 no PDB 3S66 . "Structures And Oxygen Affinities Of Crystalline Human Hemoglobin C (Beta6 Lys) In The R Quaternary Structures" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 228 no PDB 3SZK . "Crystal Structure Of Human Methaemoglobin Complexed With The First Neat Domain Of Isdh From Staphylococcus Aureus" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 229 no PDB 3WCP . "Deoxyhemoglobin Sh-drug Complex" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 230 no PDB 3WHM . "Structure Of Hemoglobin Complex With 18-crown-6" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 231 no PDB 4FC3 . "Crystal Structure Of Human Methaemoglobin Complexed With The Second Neat Domain Of Isdh From Staphylococcus Aureus" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 232 no PDB 4HHB . "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 233 no PDB 4IJ2 . "Human Methemoglobin In Complex With The Second And Third Neat Domains Of Isdh From Staphylococcus Aureus" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 234 no PDB 4L7Y . "Deoxygenated Hb In Complex With The Allosteric Effectors, Irl2500 And 2,3-dpg" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 235 no PDB 4M4A . "Human Hemoglobin Nitromethane Modified" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 236 no PDB 4M4B . "Human Hemoglobin Nitroethane Modified" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 237 no PDB 4MQC . "Carbonmonoxy Structure Of Hemoglobin Evans Alphav62mbetawt" . . . . . 95.00 141 100.00 100.00 4.64e-04 . . . . 6414 1 238 no PDB 4MQG . "Structure Of Carbonmonoxy Adult Hemoglobin Bristol-alesha Alphawtbetav67m" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 239 no PDB 4MQH . "Structure Of Aquomet Hemoglobin Evans Alphav62mbetawt" . . . . . 95.00 139 100.00 100.00 4.42e-04 . . . . 6414 1 240 no PDB 4MQI . "Structure Of Aquomet Hemoglobin Bristol-alesha Alphawtbetav67m" . . . . . 95.00 140 100.00 100.00 4.64e-04 . . . . 6414 1 241 no PDB 4MQJ . "Structure Of Wild-type Fetal Human Hemoglobin Hbf" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 242 no PDB 4MQK . "Carbonmonoxy Structure Of The Human Fetal Hemoglobin Mutant Hbf Toms River Alphawtgammav67m" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 243 no PDB 4N7N . "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Full-liganded Human Haemoglobin " . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 244 no PDB 4N7O . "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Half-liganded Human Haemoglobin " . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 245 no PDB 4N7P . "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Half-liganded Human Haemoglobin " . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 246 no PDB 4N8T . "Human Hemoglobin Nitric Oxide Adduct" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 247 no PDB 4NI0 . "Quaternary R3 Co-liganded Hemoglobin Structure In Complex With A Thiol Containing Compound" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 248 no PDB 4NI1 . "Qauternary R Co-liganded Hemoglobin Structure In Complex With A Thiol Containing Compound" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 249 no PDB 4WJG . "Structure Of T. Brucei Haptoglobin-hemoglobin Receptor Binding To Human Haptoglobin-hemoglobin" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 250 no PDB 6HBW . "Crystal Structure Of Deoxy-human Hemoglobin Beta6 Glu->trp" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 251 no DBJ BAD97112 . "alpha 2 globin variant [Homo sapiens]" . . . . . 95.00 142 100.00 100.00 4.93e-04 . . . . 6414 1 252 no DBJ BAJ20323 . "hemoglobin, alpha 1 [synthetic construct]" . . . . . 95.00 142 100.00 100.00 4.50e-04 . . . . 6414 1 253 no EMBL CAA23748 . "alpha globin [Homo sapiens]" . . . . . 95.00 142 100.00 100.00 4.50e-04 . . . . 6414 1 254 no EMBL CAA23750 . "alpha 1 globin [Homo sapiens]" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 255 no EMBL CAA23752 . "hemoglobin alpha chain [Homo sapiens]" . . . . . 95.00 142 100.00 100.00 4.50e-04 . . . . 6414 1 256 no EMBL CAA23774 . "alpha-2-globin [Homo sapiens]" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 257 no EMBL CAA25044 . "unnamed protein product [Pan troglodytes]" . . . . . 95.00 142 100.00 100.00 4.50e-04 . . . . 6414 1 258 no GB AAA30909 . "alpha-i globin [Capra hircus]" . . . . . 95.00 142 100.00 100.00 4.93e-04 . . . . 6414 1 259 no GB AAA30910 . "alpha-ii globin [Capra hircus]" . . . . . 95.00 142 100.00 100.00 5.08e-04 . . . . 6414 1 260 no GB AAA35449 . "B-alpha-hemoglobin [Otolemur crassicaudatus]" . . . . . 95.00 142 100.00 100.00 5.51e-04 . . . . 6414 1 261 no GB AAA36844 . "alpha-globin [Macaca mulatta]" . . . . . 95.00 142 100.00 100.00 5.57e-04 . . . . 6414 1 262 no GB AAA52631 . "alpha-globin, partial [Homo sapiens]" . . . . . 95.00 28 100.00 100.00 6.64e-04 . . . . 6414 1 263 no PIR A24693 . "hemoglobin alpha-1 chain - stump-tailed macaque" . . . . . 95.00 141 100.00 100.00 5.74e-04 . . . . 6414 1 264 no PIR HAMQR . "hemoglobin alpha-2 chain - rhesus macaque" . . . . . 95.00 142 100.00 100.00 5.57e-04 . . . . 6414 1 265 no PRF 0404170A . "hemoglobin alphaI" . . . . . 95.00 141 100.00 100.00 4.93e-04 . . . . 6414 1 266 no PRF 0409309A . "hemoglobin alpha" . . . . . 95.00 141 100.00 100.00 6.04e-04 . . . . 6414 1 267 no PRF 0504211A . "hemoglobin alpha" . . . . . 95.00 141 100.00 100.00 5.68e-04 . . . . 6414 1 268 no PRF 0907233A . "hemoglobin alpha" . . . . . 95.00 141 100.00 100.00 4.55e-04 . . . . 6414 1 269 no PRF 1004268B . "hemoglobin alphaII" . . . . . 95.00 141 100.00 100.00 4.59e-04 . . . . 6414 1 270 no REF NP_000508 . "hemoglobin subunit alpha [Homo sapiens]" . . . . . 95.00 142 100.00 100.00 4.50e-04 . . . . 6414 1 271 no REF NP_000549 . "hemoglobin subunit alpha [Homo sapiens]" . . . . . 95.00 142 100.00 100.00 4.50e-04 . . . . 6414 1 272 no REF NP_001036091 . "hemoglobin subunit alpha [Pan troglodytes]" . . . . . 95.00 142 100.00 100.00 4.50e-04 . . . . 6414 1 273 no REF NP_001036092 . "hemoglobin subunit alpha [Pan troglodytes]" . . . . . 95.00 142 100.00 100.00 4.50e-04 . . . . 6414 1 274 no REF NP_001038189 . "hemoglobin subunit theta-1 [Macaca mulatta]" . . . . . 95.00 142 100.00 100.00 5.57e-04 . . . . 6414 1 275 no SP B3EWC7 . "RecName: Full=Hemoglobin subunit alpha [Tamias merriami]" . . . . . 95.00 141 100.00 100.00 5.19e-04 . . . . 6414 1 276 no SP B3EWC9 . "RecName: Full=Hemoglobin subunit alpha [Otospermophilus beecheyi]" . . . . . 95.00 141 100.00 100.00 5.29e-04 . . . . 6414 1 277 no SP P01923 . "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Gorilla gorilla goril" . . . . . 95.00 141 100.00 100.00 4.78e-04 . . . . 6414 1 278 no SP P01924 . "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Semnopithecus entellu" . . . . . 95.00 141 100.00 100.00 5.74e-04 . . . . 6414 1 279 no SP P01926 . "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Chlorocebus aethiops]" . . . . . 95.00 142 100.00 100.00 5.57e-04 . . . . 6414 1 280 no TPG DAA15749 . "TPA: hemoglobin subunit alpha [Bos taurus]" . . . . . 95.00 142 100.00 100.00 4.23e-04 . . . . 6414 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'amidated fragment 33-52' abbreviation 6414 1 'amidated fragment 33-52' common 6414 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 . PHE . 6414 1 2 . LEU . 6414 1 3 . SER . 6414 1 4 . PHE . 6414 1 5 . PRO . 6414 1 6 . THR . 6414 1 7 . THR . 6414 1 8 . LYS . 6414 1 9 . THR . 6414 1 10 . TYR . 6414 1 11 . PHE . 6414 1 12 . PRO . 6414 1 13 . HIS . 6414 1 14 . PHE . 6414 1 15 . ASP . 6414 1 16 . LEU . 6414 1 17 . SER . 6414 1 18 . HIS . 6414 1 19 . GLY . 6414 1 20 . SER . 6414 1 21 . NH2 . 6414 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 . PHE 1 1 6414 1 . LEU 2 2 6414 1 . SER 3 3 6414 1 . PHE 4 4 6414 1 . PRO 5 5 6414 1 . THR 6 6 6414 1 . THR 7 7 6414 1 . LYS 8 8 6414 1 . THR 9 9 6414 1 . TYR 10 10 6414 1 . PHE 11 11 6414 1 . PRO 12 12 6414 1 . HIS 13 13 6414 1 . PHE 14 14 6414 1 . ASP 15 15 6414 1 . LEU 16 16 6414 1 . SER 17 17 6414 1 . HIS 18 18 6414 1 . GLY 19 19 6414 1 . SER 20 20 6414 1 . NH2 21 21 6414 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 6414 _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 $33-52_amidated_fragment . 9913 organism . 'Bos taurus' Cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 6414 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 6414 _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 $33-52_amidated_fragment . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6414 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 6414 _Chem_comp.ID NH2 _Chem_comp.Provenance . _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:18:50 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b 6414 NH2 N SMILES ACDLabs 10.04 6414 NH2 [NH2] SMILES CACTVS 3.341 6414 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 6414 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 6414 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6414 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 6414 NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 6414 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6414 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 6414 NH2 HN1 . HN1 . . H . . N 0 . . . . no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 6414 NH2 HN2 . HN2 . . H . . N 0 . . . . no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 6414 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 6414 NH2 2 . SING N HN2 no N 2 . 6414 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6414 _Sample.ID 1 _Sample.Type micelles _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 'amidated fragment 33-52' . . . 1 $33-52_amidated_fragment . . 1.0 . . mM . . . . 6414 1 2 'sodium dodecyl sulfate (SDS)' . . . . . . . 200 . . mM . . . . 6414 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6414 _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 4.0 0.2 pH 6414 1 temperature 310 1 K 6414 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRrpipe_NMRview _Software.Sf_category software _Software.Sf_framecode NMRrpipe_NMRview _Software.Entry_ID 6414 _Software.ID 1 _Software.Name NMRrpipe_NMRview _Software.Version 5.0 _Software.Details . loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 6414 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6414 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 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 6414 _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 Varian Inova . 500 . . . 6414 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 6414 _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 '1H DQF-COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6414 1 2 NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6414 1 3 ROESY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6414 1 4 TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6414 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 6414 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRrpipe_NMRview _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_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6414 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H DQF-COSY' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRrpipe_NMRview _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 6414 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name NOESY _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRrpipe_NMRview _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 6414 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name ROESY _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRrpipe_NMRview _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6414 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRrpipe_NMRview _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 6414 _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 . . . . . . . . . 6414 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6414 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_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 . 6414 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 1 1 PHE HA H 1 4.370 0.02 . 1 . . . . . . . . 6414 1 2 . 1 1 1 1 PHE HB3 H 1 3.209 0.02 . 2 . . . . . . . . 6414 1 3 . 1 1 1 1 PHE HB2 H 1 3.304 0.02 . 2 . . . . . . . . 6414 1 4 . 1 1 1 1 PHE HD1 H 1 6.671 0.02 . 3 . . . . . . . . 6414 1 5 . 1 1 1 1 PHE HE1 H 1 6.918 0.02 . 3 . . . . . . . . 6414 1 6 . 1 1 2 2 LEU H H 1 7.546 0.02 . 1 . . . . . . . . 6414 1 7 . 1 1 2 2 LEU HA H 1 4.047 0.02 . 1 . . . . . . . . 6414 1 8 . 1 1 2 2 LEU HB3 H 1 1.405 0.02 . 2 . . . . . . . . 6414 1 9 . 1 1 2 2 LEU HB2 H 1 1.473 0.02 . 2 . . . . . . . . 6414 1 10 . 1 1 2 2 LEU HG H 1 1.152 0.02 . 1 . . . . . . . . 6414 1 11 . 1 1 2 2 LEU HD11 H 1 0.808 0.02 . 2 . . . . . . . . 6414 1 12 . 1 1 2 2 LEU HD12 H 1 0.808 0.02 . 2 . . . . . . . . 6414 1 13 . 1 1 2 2 LEU HD13 H 1 0.808 0.02 . 2 . . . . . . . . 6414 1 14 . 1 1 2 2 LEU HD21 H 1 0.781 0.02 . 2 . . . . . . . . 6414 1 15 . 1 1 2 2 LEU HD22 H 1 0.781 0.02 . 2 . . . . . . . . 6414 1 16 . 1 1 2 2 LEU HD23 H 1 0.781 0.02 . 2 . . . . . . . . 6414 1 17 . 1 1 3 3 SER H H 1 7.691 0.02 . 1 . . . . . . . . 6414 1 18 . 1 1 3 3 SER HA H 1 4.532 0.02 . 1 . . . . . . . . 6414 1 19 . 1 1 3 3 SER HB2 H 1 3.817 0.02 . 2 . . . . . . . . 6414 1 20 . 1 1 4 4 PHE H H 1 8.132 0.02 . 1 . . . . . . . . 6414 1 21 . 1 1 4 4 PHE HA H 1 4.762 0.02 . 1 . . . . . . . . 6414 1 22 . 1 1 4 4 PHE HB3 H 1 3.084 0.02 . 2 . . . . . . . . 6414 1 23 . 1 1 4 4 PHE HB2 H 1 3.181 0.02 . 2 . . . . . . . . 6414 1 24 . 1 1 4 4 PHE HD1 H 1 7.167 0.02 . 3 . . . . . . . . 6414 1 25 . 1 1 4 4 PHE HE1 H 1 7.299 0.02 . 3 . . . . . . . . 6414 1 26 . 1 1 5 5 PRO HA H 1 4.545 0.02 . 1 . . . . . . . . 6414 1 27 . 1 1 5 5 PRO HB3 H 1 2.099 0.02 . 2 . . . . . . . . 6414 1 28 . 1 1 5 5 PRO HB2 H 1 2.286 0.02 . 2 . . . . . . . . 6414 1 29 . 1 1 5 5 PRO HG2 H 1 1.832 0.02 . 2 . . . . . . . . 6414 1 30 . 1 1 5 5 PRO HD3 H 1 3.496 0.02 . 2 . . . . . . . . 6414 1 31 . 1 1 5 5 PRO HD2 H 1 3.829 0.02 . 2 . . . . . . . . 6414 1 32 . 1 1 6 6 THR H H 1 7.975 0.02 . 1 . . . . . . . . 6414 1 33 . 1 1 6 6 THR HA H 1 4.445 0.02 . 1 . . . . . . . . 6414 1 34 . 1 1 6 6 THR HB H 1 4.330 0.02 . 1 . . . . . . . . 6414 1 35 . 1 1 6 6 THR HG21 H 1 1.281 0.02 . 1 . . . . . . . . 6414 1 36 . 1 1 6 6 THR HG22 H 1 1.281 0.02 . 1 . . . . . . . . 6414 1 37 . 1 1 6 6 THR HG23 H 1 1.281 0.02 . 1 . . . . . . . . 6414 1 38 . 1 1 7 7 THR H H 1 7.949 0.02 . 1 . . . . . . . . 6414 1 39 . 1 1 7 7 THR HA H 1 4.329 0.02 . 1 . . . . . . . . 6414 1 40 . 1 1 7 7 THR HG21 H 1 1.234 0.02 . 1 . . . . . . . . 6414 1 41 . 1 1 7 7 THR HG22 H 1 1.234 0.02 . 1 . . . . . . . . 6414 1 42 . 1 1 7 7 THR HG23 H 1 1.234 0.02 . 1 . . . . . . . . 6414 1 43 . 1 1 8 8 LYS H H 1 7.940 0.02 . 1 . . . . . . . . 6414 1 44 . 1 1 8 8 LYS HA H 1 4.216 0.02 . 1 . . . . . . . . 6414 1 45 . 1 1 8 8 LYS HB3 H 1 1.619 0.02 . 2 . . . . . . . . 6414 1 46 . 1 1 8 8 LYS HB2 H 1 1.688 0.02 . 2 . . . . . . . . 6414 1 47 . 1 1 8 8 LYS HG2 H 1 1.296 0.02 . 2 . . . . . . . . 6414 1 48 . 1 1 8 8 LYS HD2 H 1 1.627 0.02 . 2 . . . . . . . . 6414 1 49 . 1 1 8 8 LYS HE2 H 1 2.917 0.02 . 2 . . . . . . . . 6414 1 50 . 1 1 9 9 THR H H 1 7.796 0.02 . 1 . . . . . . . . 6414 1 51 . 1 1 9 9 THR HA H 1 4.211 0.02 . 1 . . . . . . . . 6414 1 52 . 1 1 9 9 THR HB H 1 4.035 0.02 . 1 . . . . . . . . 6414 1 53 . 1 1 9 9 THR HG21 H 1 1.045 0.02 . 1 . . . . . . . . 6414 1 54 . 1 1 9 9 THR HG22 H 1 1.045 0.02 . 1 . . . . . . . . 6414 1 55 . 1 1 9 9 THR HG23 H 1 1.045 0.02 . 1 . . . . . . . . 6414 1 56 . 1 1 10 10 TYR H H 1 7.764 0.02 . 1 . . . . . . . . 6414 1 57 . 1 1 10 10 TYR HA H 1 4.421 0.02 . 1 . . . . . . . . 6414 1 58 . 1 1 10 10 TYR HB2 H 1 2.789 0.02 . 2 . . . . . . . . 6414 1 59 . 1 1 10 10 TYR HD1 H 1 7.024 0.02 . 3 . . . . . . . . 6414 1 60 . 1 1 10 10 TYR HE1 H 1 6.748 0.02 . 3 . . . . . . . . 6414 1 61 . 1 1 11 11 PHE H H 1 7.708 0.02 . 1 . . . . . . . . 6414 1 62 . 1 1 11 11 PHE HA H 1 4.798 0.02 . 1 . . . . . . . . 6414 1 63 . 1 1 11 11 PHE HB3 H 1 3.005 0.02 . 2 . . . . . . . . 6414 1 64 . 1 1 11 11 PHE HB2 H 1 3.132 0.02 . 2 . . . . . . . . 6414 1 65 . 1 1 11 11 PHE HD1 H 1 7.167 0.02 . 3 . . . . . . . . 6414 1 66 . 1 1 11 11 PHE HE1 H 1 7.299 0.02 . 3 . . . . . . . . 6414 1 67 . 1 1 12 12 PRO HA H 1 4.294 0.02 . 1 . . . . . . . . 6414 1 68 . 1 1 12 12 PRO HB3 H 1 1.862 0.02 . 2 . . . . . . . . 6414 1 69 . 1 1 12 12 PRO HB2 H 1 2.129 0.02 . 2 . . . . . . . . 6414 1 70 . 1 1 12 12 PRO HG3 H 1 1.560 0.02 . 2 . . . . . . . . 6414 1 71 . 1 1 12 12 PRO HG2 H 1 1.762 0.02 . 2 . . . . . . . . 6414 1 72 . 1 1 12 12 PRO HD3 H 1 3.387 0.02 . 2 . . . . . . . . 6414 1 73 . 1 1 12 12 PRO HD2 H 1 3.546 0.02 . 2 . . . . . . . . 6414 1 74 . 1 1 13 13 HIS H H 1 8.076 0.02 . 1 . . . . . . . . 6414 1 75 . 1 1 13 13 HIS HA H 1 4.654 0.02 . 1 . . . . . . . . 6414 1 76 . 1 1 13 13 HIS HB2 H 1 3.163 0.02 . 2 . . . . . . . . 6414 1 77 . 1 1 13 13 HIS HE1 H 1 8.564 0.02 . 3 . . . . . . . . 6414 1 78 . 1 1 13 13 HIS HD1 H 1 7.221 0.02 . 3 . . . . . . . . 6414 1 79 . 1 1 14 14 PHE H H 1 7.815 0.02 . 1 . . . . . . . . 6414 1 80 . 1 1 14 14 PHE HA H 1 4.653 0.02 . 1 . . . . . . . . 6414 1 81 . 1 1 14 14 PHE HB3 H 1 2.948 0.02 . 2 . . . . . . . . 6414 1 82 . 1 1 14 14 PHE HB2 H 1 3.146 0.02 . 2 . . . . . . . . 6414 1 83 . 1 1 14 14 PHE HD1 H 1 7.190 0.02 . 3 . . . . . . . . 6414 1 84 . 1 1 14 14 PHE HE1 H 1 7.237 0.02 . 3 . . . . . . . . 6414 1 85 . 1 1 15 15 ASP H H 1 8.224 0.02 . 1 . . . . . . . . 6414 1 86 . 1 1 15 15 ASP HA H 1 4.733 0.02 . 1 . . . . . . . . 6414 1 87 . 1 1 15 15 ASP HB3 H 1 2.608 0.02 . 2 . . . . . . . . 6414 1 88 . 1 1 15 15 ASP HB2 H 1 2.787 0.02 . 2 . . . . . . . . 6414 1 89 . 1 1 16 16 LEU H H 1 8.083 0.02 . 1 . . . . . . . . 6414 1 90 . 1 1 16 16 LEU HA H 1 4.306 0.02 . 1 . . . . . . . . 6414 1 91 . 1 1 16 16 LEU HB3 H 1 1.629 0.02 . 2 . . . . . . . . 6414 1 92 . 1 1 16 16 LEU HB2 H 1 1.681 0.02 . 2 . . . . . . . . 6414 1 93 . 1 1 16 16 LEU HG H 1 1.290 0.02 . 1 . . . . . . . . 6414 1 94 . 1 1 16 16 LEU HD11 H 1 0.946 0.02 . 2 . . . . . . . . 6414 1 95 . 1 1 16 16 LEU HD12 H 1 0.946 0.02 . 2 . . . . . . . . 6414 1 96 . 1 1 16 16 LEU HD13 H 1 0.946 0.02 . 2 . . . . . . . . 6414 1 97 . 1 1 16 16 LEU HD21 H 1 0.889 0.02 . 2 . . . . . . . . 6414 1 98 . 1 1 16 16 LEU HD22 H 1 0.889 0.02 . 2 . . . . . . . . 6414 1 99 . 1 1 16 16 LEU HD23 H 1 0.889 0.02 . 2 . . . . . . . . 6414 1 100 . 1 1 17 17 SER H H 1 8.189 0.02 . 1 . . . . . . . . 6414 1 101 . 1 1 17 17 SER HA H 1 4.376 0.02 . 1 . . . . . . . . 6414 1 102 . 1 1 17 17 SER HB2 H 1 3.870 0.02 . 2 . . . . . . . . 6414 1 103 . 1 1 18 18 HIS H H 1 8.216 0.02 . 1 . . . . . . . . 6414 1 104 . 1 1 18 18 HIS HA H 1 4.693 0.02 . 1 . . . . . . . . 6414 1 105 . 1 1 18 18 HIS HB3 H 1 3.213 0.02 . 2 . . . . . . . . 6414 1 106 . 1 1 18 18 HIS HB2 H 1 3.323 0.02 . 2 . . . . . . . . 6414 1 107 . 1 1 18 18 HIS HE1 H 1 8.593 0.02 . 3 . . . . . . . . 6414 1 108 . 1 1 18 18 HIS HD1 H 1 7.349 0.02 . 3 . . . . . . . . 6414 1 109 . 1 1 19 19 GLY H H 1 8.292 0.02 . 1 . . . . . . . . 6414 1 110 . 1 1 19 19 GLY HA2 H 1 4.001 0.02 . 2 . . . . . . . . 6414 1 111 . 1 1 20 20 SER H H 1 8.113 0.02 . 1 . . . . . . . . 6414 1 112 . 1 1 20 20 SER HA H 1 4.423 0.02 . 1 . . . . . . . . 6414 1 113 . 1 1 20 20 SER HB2 H 1 3.898 0.02 . 2 . . . . . . . . 6414 1 114 . 1 1 21 21 NH2 HN1 H 1 7.040 0.02 . 2 . . . . . . . . 6414 1 115 . 1 1 21 21 NH2 HN2 H 1 7.550 0.02 . 2 . . . . . . . . 6414 1 stop_ save_