data_3442 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 3442 _Entry.Title ; Sequential assignment of proton resonances in the NMR spectrum of Zn-substituted alpha chains from human hemoglobin ; _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 Laure Martineau . . . 3442 2 Constantin Craescu . T. . 3442 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 3442 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 647 3442 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 . . 2010-06-17 . revision BMRB 'Complete natural source information' 3442 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 3442 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 3442 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 3442 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 3442 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 3442 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Martineau, Laure, Craescu, Constantin T., "Sequential assignment of proton resonances in the NMR spectrum of Zn-substituted alpha chains from human hemoglobin," Eur. J. Biochem. 214, 383-393 (1993). ; _Citation.Title ; Sequential assignment of proton resonances in the NMR spectrum of Zn-substituted alpha chains from human hemoglobin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 214 _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 383 _Citation.Page_last 393 _Citation.Year 1993 _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 Laure Martineau . . . 3442 1 2 Constantin Craescu . T. . 3442 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hemoglobin_A_alpha_chain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hemoglobin_A_alpha_chain _Assembly.Entry_ID 3442 _Assembly.ID 1 _Assembly.Name 'hemoglobin A alpha chain' _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 'hemoglobin A alpha chain' 1 $hemoglobin_A_alpha_chain . . . . . . . . . 3442 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'hemoglobin A alpha chain' system 3442 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hemoglobin_A_alpha_chain _Entity.Sf_category entity _Entity.Sf_framecode hemoglobin_A_alpha_chain _Entity.Entry_ID 3442 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'hemoglobin A alpha chain' _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 ; VLSPADKTNVKAAWGKVGAH AGEYGAEALERMFLSFPTTK TYFPHFDLSHGSAQVKGHGK KVADALTNAVAHVDDMPNAL SALSDLHAHKLRVDPVNFKL LSHCLLVTLAAHLPAEFTPA VHASLDKFLASVSTVLTSKY R ; _Entity.Polymer_seq_one_letter_code ; VLSPADKTNVKAAWGKVGAH AGEYGAEALERMFLSFPTTK TYFPHFDLSHGSAQVKGHGK KVADALTNAVAHVDDMPNAL SALSDLHAHKLRVDPVNFKL LSHCLLVTLAAHLPAEFTPA VHASLDKFLASVSTVLTSKY R ; _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 141 _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 2015-11-25 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" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 2 no BMRB 16891 . HBA1 . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 3 no BMRB 16898 . HBA1 . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 4 no BMRB 25 . "hemoglobin A alpha chain" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 5 no BMRB 2707 . "hemoglobin A alpha chain" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 6 no BMRB 2709 . "hemoglobin A alpha chain" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 7 no BMRB 2868 . "hemoglobin A alpha chain" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 8 no PDB 1A00 . "Hemoglobin (Val Beta1 Met, Trp Beta37 Tyr) Mutant" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 9 no PDB 1A01 . "Hemoglobin (Val Beta1 Met, Trp Beta37 Ala) Mutant" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 10 no PDB 1A0U . "Hemoglobin (Val Beta1 Met) Mutant" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 11 no PDB 1A0Z . "Hemoglobin (Val Beta1 Met) Mutant" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 12 no PDB 1A3N . "Deoxy Human Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 13 no PDB 1A3O . "Artificial Mutant (Alpha Y42h) Of Deoxy Hemoglobin" . . . . . 100.00 141 99.29 100.00 4.26e-94 . . . . 3442 1 14 no PDB 1A9W . "Human Embryonic Gower Ii Carbonmonoxy Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 15 no PDB 1ABW . "Deoxy Rhb1.1 (Recombinant Hemoglobin)" . . . . . 100.00 283 99.29 100.00 1.68e-92 . . . . 3442 1 16 no PDB 1ABY . "Cyanomet Rhb1.1 (Recombinant Hemoglobin)" . . . . . 100.00 283 99.29 100.00 1.68e-92 . . . . 3442 1 17 no PDB 1AJ9 . "R-State Human Carbonmonoxyhemoglobin Alpha-A53s" . . . . . 100.00 141 99.29 100.00 1.09e-94 . . . . 3442 1 18 no PDB 1B86 . "Human Deoxyhaemoglobin-2,3-Diphosphoglycerate Complex" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 19 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" . . . . . 99.29 143 100.00 100.00 1.78e-94 . . . . 3442 1 20 no PDB 1BBB . "A Third Quaternary Structure Of Human Hemoglobin A At 1.7-angstroms Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 21 no PDB 1BIJ . "Crosslinked, Deoxy Human Hemoglobin A" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 22 no PDB 1BUW . "Crystal Structure Of S-Nitroso-Nitrosyl Human Hemoglobin A" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 23 no PDB 1BZ0 . "Hemoglobin A (Human, Deoxy, High Salt)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 24 no PDB 1BZ1 . "Hemoglobin (Alpha + Met) Variant" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 25 no PDB 1BZZ . "Hemoglobin (Alpha V1m) Mutant" . . . . . 100.00 141 99.29 100.00 1.21e-94 . . . . 3442 1 26 no PDB 1C7B . "Deoxy Rhb1.0 (Recombinant Hemoglobin)" . . . . . 100.00 141 99.29 100.00 1.21e-94 . . . . 3442 1 27 no PDB 1C7C . "Deoxy Rhb1.1 (Recombinant Hemoglobin)" . . . . . 100.00 283 99.29 100.00 1.68e-92 . . . . 3442 1 28 no PDB 1C7D . "Deoxy Rhb1.2 (Recombinant Hemoglobin)" . . . . . 100.00 284 99.29 100.00 1.96e-92 . . . . 3442 1 29 no PDB 1CLS . "Cross-Linked Human Hemoglobin Deoxy" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 30 no PDB 1CMY . "The Mutation Beta99 Asp-Tyr Stabilizes Y-A New, Composite Quaternary State Of Human Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 31 no PDB 1COH . "Structure Of Haemoglobin In The Deoxy Quaternary State With Ligand Bound At The Alpha Haems" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 32 no PDB 1DKE . "Ni Beta Heme Human Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 33 no PDB 1DXT . "High-Resolution X-Ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 34 no PDB 1DXU . "High-Resolution X-Ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 35 no PDB 1DXV . "High-resolution X-ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-globins Having Mutated Amino Termini" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 36 no PDB 1FDH . "Structure Of Human Foetal Deoxyhaemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 37 no PDB 1FN3 . "Crystal Structure Of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 38 no PDB 1G9V . "High Resolution Crystal Structure Of Deoxy Hemoglobin Complexed With A Potent Allosteric Effector" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 39 no PDB 1GBU . "Deoxy (Beta-(C93a,C112g)) Human Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 40 no PDB 1GBV . "(Alpha-Oxy, Beta-(C112g)deoxy) T-State Human Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 41 no PDB 1GLI . "Deoxyhemoglobin T38w (alpha Chains), V1g (alpha And Beta Chains)" . . . . . 100.00 141 98.58 99.29 1.56e-93 . . . . 3442 1 42 no PDB 1GZX . "Oxy T State Haemoglobin: Oxygen Bound At All Four Haems" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 43 no PDB 1HAB . "Crosslinked Haemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 44 no PDB 1HAC . "Crosslinked Haemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 45 no PDB 1HBA . "High-Resolution X-Ray Study Of Deoxyhemoglobin Rothschild 37beta Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Bi" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 46 no PDB 1HBB . "High-Resolution X-Ray Study Of Deoxyhemoglobin Rothschild 37beta Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Bi" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 47 no PDB 1HBS . "Refined Crystal Structure Of Deoxyhemoglobin S. I. Restrained Least-Squares Refinement At 3.0-Angstroms Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 48 no PDB 1HCO . "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 49 no PDB 1HDB . "Analysis Of The Crystal Structure, Molecular Modeling And Infrared Spectroscopy Of The Distal Beta-Heme Pocket Valine67(E11)-Th" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 50 no PDB 1HGA . "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-state Haemoglobins: T(alpha-o" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 51 no PDB 1HGB . "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-State Haemoglobins: T(Alpha-O" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 52 no PDB 1HGC . "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-state Haemoglobins: T(alpha-o" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 53 no PDB 1HHO . "Structure Of Human Oxyhaemoglobin At 2.1 Angstroms Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 54 no PDB 1IRD . "Crystal Structure Of Human Carbonmonoxy-Haemoglobin At 1.25 A Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 55 no PDB 1J3Y . "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Hemoglobin; Crystal Structure Of Alpha(Fe)-Beta(N" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 56 no PDB 1J3Z . "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Fe-Co)-Be" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 57 no PDB 1J40 . "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Ni)-Beta(" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 58 no PDB 1J41 . "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Ni)-Beta(" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 59 no PDB 1J7S . "Crystal Structure Of Deoxy Hbalphayq, A Mutant Of Hba" . . . . . 100.00 141 97.87 98.58 3.18e-93 . . . . 3442 1 60 no PDB 1J7W . "Crystal Structure Of Deoxy Hbbetayq, A Site Directed Mutant Of Hba" . . . . . 100.00 141 99.29 100.00 1.21e-94 . . . . 3442 1 61 no PDB 1J7Y . "Crystal Structure Of Partially Ligated Mutant Of Hba" . . . . . 100.00 141 97.87 98.58 3.18e-93 . . . . 3442 1 62 no PDB 1JY7 . "The Structure Of Human Methemoglobin. The Variation Of A Theme" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 63 no PDB 1K0Y . "X-ray Crystallographic Analyses Of Symmetrical Allosteric Effectors Of Hemoglobin. Compounds Designed To Link Primary And Secon" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 64 no PDB 1K1K . "Structure Of Mutant Human Carbonmonoxyhemoglobin C (beta E6k) At 2.0 Angstrom Resolution In Phosphate Buffer." . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 65 no PDB 1KD2 . "Crystal Structure Of Human Deoxyhemoglobin In Absence Of Any Anions" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 66 no PDB 1LFL . "Deoxy Hemoglobin (90% Relative Humidity)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 67 no PDB 1LFQ . "Oxy Hemoglobin (93% Relative Humidity)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 68 no PDB 1LFT . "Oxy Hemoglobin (90% Relative Humidity)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 69 no PDB 1LFV . "Oxy Hemoglobin (88% Relative Humidity)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 70 no PDB 1LFY . "Oxy Hemoglobin (84% Relative Humidity)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 71 no PDB 1LFZ . "Oxy Hemoglobin (25% Methanol)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 72 no PDB 1LJW . "Crystal Structure Of Human Carbonmonoxy Hemoglobin At 2.16 A: A Snapshot Of The Allosteric Transition" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 73 no PDB 1M9P . "Crystalline Human Carbonmonoxy Hemoglobin C Exhibits The R2 Quaternary State At Neutral Ph In The Presence Of Polyethylene Glyc" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 74 no PDB 1MKO . "A Fourth Quaternary Structure Of Human Hemoglobin A At 2.18 A Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 75 no PDB 1NEJ . "Crystalline Human Carbonmonoxy Hemoglobin S (liganded Sickle Cell Hemoglobin) Exhibits The R2 Quaternary State At Neutral Ph In" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 76 no PDB 1NIH . "Structure Of Deoxy-Quaternary Haemoglobin With Liganded Beta Subunits" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 77 no PDB 1NQP . "Crystal Structure Of Human Hemoglobin E At 1.73 A Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 78 no PDB 1O1I . "Cyanomet Hemoglobin (a-gly-c:v1m,l29f,h58q; B,d:v1m,l106w)" . . . . . 100.00 141 97.87 98.58 2.79e-93 . . . . 3442 1 79 no PDB 1O1J . "Deoxy Hemoglobin (a-gly-c:v1m,l29f,h58q; B,d:v1m,l106w)" . . . . . 100.00 283 97.87 98.58 3.08e-91 . . . . 3442 1 80 no PDB 1O1K . "Deoxy Hemoglobin (A,C:v1m; B,D:v1m,V67w)" . . . . . 100.00 141 99.29 100.00 1.21e-94 . . . . 3442 1 81 no PDB 1O1L . "Deoxy Hemoglobin (A-Gly-C:v1m,L29w,H58q; B,D:v1m)" . . . . . 100.00 283 97.87 98.58 6.81e-91 . . . . 3442 1 82 no PDB 1O1M . "Deoxy Hemoglobin (a-glyglygly-c:v1m,l29f,h58q B,d:v1m,v67w)" . . . . . 100.00 285 97.87 98.58 3.70e-91 . . . . 3442 1 83 no PDB 1O1N . "Deoxy Hemoglobin (A-Glyglygly-C:v1m,L29w; B,D:v1m)" . . . . . 100.00 285 98.58 99.29 1.43e-91 . . . . 3442 1 84 no PDB 1O1O . "Deoxy Hemoglobin (A,C:v1m,V62l; B,D:v1m,V67l)" . . . . . 100.00 141 98.58 100.00 3.90e-94 . . . . 3442 1 85 no PDB 1O1P . "Deoxy Hemoglobin (A-Gly-C:v1m; B,D:v1m,C93a,N108k)" . . . . . 100.00 283 99.29 100.00 1.68e-92 . . . . 3442 1 86 no PDB 1QI8 . "Deoxygenated Structure Of A Distal Pocket Hemoglobin Mutant" . . . . . 100.00 141 97.87 98.58 3.18e-93 . . . . 3442 1 87 no PDB 1QSH . "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 88 no PDB 1QSI . "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 89 no PDB 1QXD . "Structural Basis For The Potent Antisickling Effect Of A Novel Class Of 5-Membered Heterocyclic Aldehydic Compounds" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 90 no PDB 1QXE . "Structural Basis For The Potent Antisickling Effect Of A Novel Class Of 5-Membered Heterocyclic Aldehydic Compounds" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 91 no PDB 1R1X . "Crystal Structure Of Oxy-Human Hemoglobin Bassett At 2.15 Angstrom" . . . . . 100.00 141 99.29 99.29 6.89e-94 . . . . 3442 1 92 no PDB 1R1Y . "Crystal Structure Of Deoxy-Human Hemoglobin Bassett At 1.8 Angstrom" . . . . . 100.00 141 99.29 99.29 6.89e-94 . . . . 3442 1 93 no PDB 1RPS . "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin. Hemoglobin Exposed To No Under" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 94 no PDB 1RQ3 . "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Deoxyhemoglobin, Deoxyhemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 95 no PDB 1RQ4 . "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin, Hemoglobin Exposed To No Under" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 96 no PDB 1RQA . "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin. Beta W73e Hemoglobin Exposed T" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 97 no PDB 1RVW . "R State Human Hemoglobin [alpha V96w], Carbonmonoxy" . . . . . 100.00 141 99.29 99.29 6.11e-94 . . . . 3442 1 98 no PDB 1SDK . "Cross-linked, Carbonmonoxy Hemoglobin A" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 99 no PDB 1SDL . "Cross-Linked, Carbonmonoxy Hemoglobin A" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 100 no PDB 1SHR . "Crystal Structure Of Ferrocyanide Bound Human Hemoglobin A2 At 1.88a Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 101 no PDB 1SI4 . "Crystal Structure Of Human Hemoglobin A2 (In R2 State) At 2.2 A Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 102 no PDB 1THB . "Refinement Of A Partially Oxygenated T State Haemoglobin At 1.5 Angstroms Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 103 no PDB 1UIW . "Crystal Structures Of Unliganded And Half-Liganded Human Hemoglobin Derivatives Cross-Linked Between Lys 82beta1 And Lys 82beta" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 104 no PDB 1VWT . "T State Human Hemoglobin [alpha V96w], Alpha Aquomet, Beta Deoxy" . . . . . 100.00 141 99.29 99.29 6.11e-94 . . . . 3442 1 105 no PDB 1XXT . "The T-To-T High Transitions In Human Hemoglobin: Wild-Type Deoxy Hb A (Low Salt, One Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 106 no PDB 1XY0 . "T-To-Thigh Transitions In Human Hemoglobin: Alphak40g Deoxy Low-Salt" . . . . . 100.00 141 98.58 99.29 1.02e-93 . . . . 3442 1 107 no PDB 1XYE . "T-to-thigh Transitions In Human Hemoglobin: Alpha Y42a Deoxy Low Salt" . . . . . 100.00 141 98.58 99.29 2.94e-93 . . . . 3442 1 108 no PDB 1XZ2 . "Wild-Type Hemoglobin Deoxy No-Salt" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 109 no PDB 1XZ4 . "Intersubunit Interactions Associated With Tyr42alpha Stabilize The Quaternary-T Tetramer But Are Not Major Quaternary Constrain" . . . . . 100.00 141 98.58 99.29 2.94e-93 . . . . 3442 1 110 no PDB 1XZ5 . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphal91a Deoxy Low-Salt" . . . . . 100.00 141 98.58 99.29 7.20e-94 . . . . 3442 1 111 no PDB 1XZ7 . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphar92a Deoxy Low-Salt" . . . . . 100.00 141 98.58 99.29 1.84e-93 . . . . 3442 1 112 no PDB 1XZU . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphad94g Deoxy Low-Salt" . . . . . 100.00 141 98.58 99.29 1.40e-93 . . . . 3442 1 113 no PDB 1XZV . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphap95a Deoxy Low-Salt" . . . . . 100.00 141 98.58 99.29 1.74e-93 . . . . 3442 1 114 no PDB 1Y01 . "Crystal Structure Of Ahsp Bound To Fe(Ii) Alpha-Hemoglobin" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 115 no PDB 1Y09 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphan97a Deoxy Low-Salt" . . . . . 100.00 141 98.58 99.29 2.22e-93 . . . . 3442 1 116 no PDB 1Y0A . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140a Deoxy Low-Salt" . . . . . 100.00 141 98.58 99.29 2.94e-93 . . . . 3442 1 117 no PDB 1Y0C . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140f Deoxy Low-Salt" . . . . . 100.00 141 98.58 100.00 4.96e-94 . . . . 3442 1 118 no PDB 1Y0D . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Desarg141alpha Deoxy Low-Salt" . . . . . 99.29 140 100.00 100.00 4.40e-94 . . . . 3442 1 119 no PDB 1Y0T . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav1m Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 120 no PDB 1Y0W . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Betav1m Deoxy Low-Salt (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 121 no PDB 1Y22 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav33a Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 122 no PDB 1Y2Z . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav34g Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 123 no PDB 1Y31 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35a Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 124 no PDB 1Y35 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35f Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 125 no PDB 1Y45 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap36a Deoxy Low-Salt (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 126 no PDB 1Y46 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37y Deoxy Low-Salt (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 127 no PDB 1Y4B . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37h Deoxy Low-Salt (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 128 no PDB 1Y4F . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37a Deoxy Low-Salt (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 129 no PDB 1Y4G . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37g Deoxy Low-Salt (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 130 no PDB 1Y4P . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37e Deoxy Low-Salt (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 131 no PDB 1Y4Q . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaf42a Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 132 no PDB 1Y4R . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaf45a Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 133 no PDB 1Y4V . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betac93a Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 134 no PDB 1Y5F . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betal96a Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 135 no PDB 1Y5J . "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betah97a Deoxy Low-salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 136 no PDB 1Y5K . "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betad99a Deoxy Low-salt (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 137 no PDB 1Y7C . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap100a Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 138 no PDB 1Y7D . "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betap100g Deoxy Low-salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 139 no PDB 1Y7G . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betan102a Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 140 no PDB 1Y7Z . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betan108a Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 141 no PDB 1Y83 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay145g Deoxy Low-Salt (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 142 no PDB 1Y85 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Deshis146beta Deoxy Low-Salt" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 143 no PDB 1Y8W . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphar92a Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 100.00 141 98.58 99.29 1.84e-93 . . . . 3442 1 144 no PDB 1YDZ . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphay140f Oxy (2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 100.00 141 98.58 100.00 4.96e-94 . . . . 3442 1 145 no PDB 1YE0 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav33a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 146 no PDB 1YE1 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 147 no PDB 1YE2 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35f Oxy (2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 148 no PDB 1YEN . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap36a Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 149 no PDB 1YEO . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37a Oxy (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 150 no PDB 1YEQ . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37y Oxy (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 151 no PDB 1YEU . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37g Oxy (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 152 no PDB 1YEV . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37e Oxy (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 153 no PDB 1YFF . "Structure Of Human Carbonmonoxyhemoglobin C (beta E6k): Two Quaternary States (r2 And R3) In One Crystal" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 154 no PDB 1YG5 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37h Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 155 no PDB 1YGD . "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betaw37e Alpha Zinc Beta Oxy (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 156 no PDB 1YGF . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betah97a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 157 no PDB 1YH9 . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 158 no PDB 1YHE . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (5.0mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 159 no PDB 1YHR . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (10.0mm Ihp, 20% Peg) (10 Test Sets)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 160 no PDB 1YIE . "T-to-thigh Quaternary Transitions In Human Hemoglobin: Betaw37a Oxy (2.2mm Ihp, 13% Peg) (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 161 no PDB 1YIH . "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap100a Oxy (2.2mm Ihp, 20% Peg) (1 Test Set)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 162 no PDB 1YVQ . "The Low Salt (Peg) Crystal Structure Of Co Hemoglobin E (Betae26k) Approaching Physiological Ph (Ph 7.5)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 163 no PDB 1YVT . "The High Salt (Phosphate) Crystal Structure Of Co Hemoglobin E (Glu26lys) At Physiological Ph (Ph 7.35)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 164 no PDB 1YZI . "A Novel Quaternary Structure Of Human Carbonmonoxy Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 165 no PDB 1Z8U . "Crystal Structure Of Oxidized Alpha Hemoglobin Bound To Ahsp" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 166 no PDB 2D5Z . "Crystal Structure Of T-State Human Hemoglobin Complexed With Three L35 Molecules" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 167 no PDB 2D60 . "Crystal Structure Of Deoxy Human Hemoglobin Complexed With Two L35 Molecules" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 168 no PDB 2DN1 . "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Oxy Form" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 169 no PDB 2DN2 . "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Deoxy Form" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 170 no PDB 2DN3 . "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Carbonmonoxy Form" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 171 no PDB 2DXM . "Neutron Structure Analysis Of Deoxy Human Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 172 no PDB 2H35 . "Solution Structure Of Human Normal Adult Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 173 no PDB 2HBC . "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 174 no PDB 2HBD . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 175 no PDB 2HBE . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 176 no PDB 2HBF . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 177 no PDB 2HBS . "The High Resolution Crystal Structure Of Deoxyhemoglobin S" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 178 no PDB 2HCO . "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 179 no PDB 2HHB . "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 180 no PDB 2HHD . "Oxygen Affinity Modulation By The N-Termini Of The Beta- Chains In Human And Bovine Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 181 no PDB 2HHE . "Oxygen Affinity Modulation By The N-Termini Of The Beta Chains In Human And Bovine Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 182 no PDB 2M6Z . "Refined Solution Structure Of Human Adult Hemoglobin In The Carbonmonoxy Form" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 183 no PDB 2W6V . "Structure Of Human Deoxy Hemoglobin A In Complex With Xenon" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 184 no PDB 2W72 . "Deoxygenated Structure Of A Distal Site Hemoglobin Mutant Plus Xe" . . . . . 100.00 141 98.58 98.58 1.26e-93 . . . . 3442 1 185 no PDB 2YRS . "Human Hemoglobin D Los Angeles: Crystal Structure" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 186 no PDB 3B75 . "Crystal Structure Of Glycated Human Haemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 187 no PDB 3D17 . "A Triply Ligated Crystal Structure Of Relaxed State Human Hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 188 no PDB 3D7O . "Human Hemoglobin, Nitrogen Dioxide Anion Modified" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 189 no PDB 3DUT . "The High Salt (Phosphate) Crystal Structure Of Deoxy Hemoglobin E (Glu26lys) At Physiological Ph (Ph 7.35)" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 190 no PDB 3HHB . "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 191 no PDB 3HXN . "The Structure Of Human Carbonmonoxyhemoglobin Complex To Ihp At 2.0 Angstrons Resolution." . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 192 no PDB 3IA3 . "A Cis-Proline In Alpha-Hemoglobin Stabilizing Protein Directs The Structural Reorganization Of Alpha-Hemoglobin" . . . . . 100.00 145 100.00 100.00 5.91e-95 . . . . 3442 1 193 no PDB 3IC0 . "Crystal Structure Of Liganded Hemoglobin In Complex With A Potent Antisickling Agent, Inn-298" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 194 no PDB 3IC2 . "Crystal Structure Of Liganded Hemoglobin In Complex With A Potent Antisickling Agent, Inn-266" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 195 no PDB 3KMF . "Room Temperature Time-Of-Flight Neutron Diffraction Study Of Deoxy Human Normal Adult Hemoglobin" . . . . . 98.58 141 100.00 100.00 2.08e-93 . . . . 3442 1 196 no PDB 3NL7 . "Human Hemoglobin A Mutant Beta H63w Carbonmonoxy-Form" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 197 no PDB 3NMM . "Human Hemoglobin A Mutant Alpha H58w Deoxy-Form" . . . . . 100.00 141 99.29 99.29 8.67e-94 . . . . 3442 1 198 no PDB 3ODQ . "Structure Of A Crystal Form Of Human Methemoglobin Indicative Of Fiber Formation" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 199 no PDB 3ONZ . "Human Tetrameric Hemoglobin: Proximal Nitrite Ligand At Beta" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 200 no PDB 3OO4 . "R-State Human Hemoglobin: Nitriheme Modified At Alpha" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 201 no PDB 3OO5 . "R-State Human Hemoglobin: Nitriheme Modified" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 202 no PDB 3OVU . "Crystal Structure Of Human Alpha-Haemoglobin Complexed With Ahsp And The First Neat Domain Of Isdh From Staphylococcus Aureus" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 203 no PDB 3P5Q . "Ferric R-State Human Aquomethemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 204 no PDB 3QJB . "Human Hemoglobin A Mutant Alpha H58l Carbonmonoxy-Form" . . . . . 100.00 141 99.29 99.29 1.15e-93 . . . . 3442 1 205 no PDB 3QJC . "Human Hemoglobin A Mutant Beta H63l Carbonmonoxy-Form" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 206 no PDB 3QJD . "Human Hemoglobin A Mutant Alpha H58l Deoxy-Form" . . . . . 100.00 141 99.29 99.29 1.15e-93 . . . . 3442 1 207 no PDB 3QJE . "Human Hemoglobin A Mutant Beta H63l Deoxy-Form" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 208 no PDB 3R5I . "Crystal Structure Of Liganded Hemoglobin Complexed With A Potent Antisickling Agent, Inn-312" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 209 no PDB 3S48 . "Human Alpha-haemoglobin Complexed With The First Neat Domain Of Isdh From Staphylococcus Aureus" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 210 no PDB 3S65 . "Structures And Oxygen Affinities Of Crystalline Human Hemoglobin C (Beta6 Lys) In The R2 Quaternary Structures" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 211 no PDB 3S66 . "Structures And Oxygen Affinities Of Crystalline Human Hemoglobin C (Beta6 Lys) In The R Quaternary Structures" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 212 no PDB 3SZK . "Crystal Structure Of Human Methaemoglobin Complexed With The First Neat Domain Of Isdh From Staphylococcus Aureus" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 213 no PDB 3WCP . "Deoxyhemoglobin Sh-drug Complex" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 214 no PDB 3WHM . "Structure Of Hemoglobin Complex With 18-crown-6" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 215 no PDB 4FC3 . "Crystal Structure Of Human Methaemoglobin Complexed With The Second Neat Domain Of Isdh From Staphylococcus Aureus" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 216 no PDB 4HHB . "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 217 no PDB 4IJ2 . "Human Methemoglobin In Complex With The Second And Third Neat Domains Of Isdh From Staphylococcus Aureus" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 218 no PDB 4L7Y . "Deoxygenated Hb In Complex With The Allosteric Effectors, Irl2500 And 2,3-dpg" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 219 no PDB 4M4A . "Human Hemoglobin Nitromethane Modified" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 220 no PDB 4M4B . "Human Hemoglobin Nitroethane Modified" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 221 no PDB 4MQC . "Carbonmonoxy Structure Of Hemoglobin Evans Alphav62mbetawt" . . . . . 100.00 141 99.29 100.00 1.21e-94 . . . . 3442 1 222 no PDB 4MQG . "Structure Of Carbonmonoxy Adult Hemoglobin Bristol-alesha Alphawtbetav67m" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 223 no PDB 4MQH . "Structure Of Aquomet Hemoglobin Evans Alphav62mbetawt" . . . . . 98.58 139 99.28 100.00 1.53e-92 . . . . 3442 1 224 no PDB 4MQI . "Structure Of Aquomet Hemoglobin Bristol-alesha Alphawtbetav67m" . . . . . 99.29 140 100.00 100.00 4.40e-94 . . . . 3442 1 225 no PDB 4MQJ . "Structure Of Wild-type Fetal Human Hemoglobin Hbf" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 226 no PDB 4MQK . "Carbonmonoxy Structure Of The Human Fetal Hemoglobin Mutant Hbf Toms River Alphawtgammav67m" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 227 no PDB 4N7N . "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Full-liganded Human Haemoglobin " . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 228 no PDB 4N7O . "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Half-liganded Human Haemoglobin " . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 229 no PDB 4N7P . "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Half-liganded Human Haemoglobin " . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 230 no PDB 4N8T . "Human Hemoglobin Nitric Oxide Adduct" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 231 no PDB 4NI0 . "Quaternary R3 Co-liganded Hemoglobin Structure In Complex With A Thiol Containing Compound" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 232 no PDB 4NI1 . "Qauternary R Co-liganded Hemoglobin Structure In Complex With A Thiol Containing Compound" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 233 no PDB 4ROL . "Deoxyhemoglobin In Complex With Imidazolylacryloyl Derivatives" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 234 no PDB 4ROM . "Deoxyhemoglobin In Complex With Imidazolylacryloyl Derivatives" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 235 no PDB 4WJG . "Structure Of T. Brucei Haptoglobin-hemoglobin Receptor Binding To Human Haptoglobin-hemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 236 no PDB 4X0I . "Trypanosoma Brucei Haptoglobin-haemoglobin Receptor In Complex With Human Haptoglobin-haemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 237 no PDB 4X0L . "Human Haptoglobin-haemoglobin Complex" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 238 no PDB 4XS0 . "Human Methemoglobin In Complex With The Second And Third Neat Domains Of Isdh(f365y/a369f/y642a) From Staphylococcus Aureus" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 239 no PDB 5E29 . "Crystal Structure Of Deoxygenated Hemoglobin In Complex With An Allosteric Effector And Nitric Oxide" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 240 no PDB 5EE4 . "The Crystal Structure Of Hpua From Kingella Denitrificans In Complex With Human Haemoglobin" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 241 no PDB 6HBW . "Crystal Structure Of Deoxy-human Hemoglobin Beta6 Glu->trp" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 242 no DBJ BAD97112 . "alpha 2 globin variant [Homo sapiens]" . . . . . 100.00 142 99.29 100.00 4.22e-94 . . . . 3442 1 243 no DBJ BAJ20323 . "hemoglobin, alpha 1 [synthetic construct]" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 244 no EMBL CAA23748 . "alpha globin [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 245 no EMBL CAA23750 . "alpha 1 globin [Homo sapiens]" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 246 no EMBL CAA23751 . "unnamed protein product [Homo sapiens]" . . . . . 60.28 85 100.00 100.00 2.96e-50 . . . . 3442 1 247 no EMBL CAA23752 . "hemoglobin alpha chain [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 248 no EMBL CAA23774 . "alpha-2-globin [Homo sapiens]" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 249 no GB AAA52632 . "pseudo-a-thal, partial [Homo sapiens]" . . . . . 60.28 85 100.00 100.00 2.96e-50 . . . . 3442 1 250 no GB AAA66030 . "alpha-2 globin [Pongo pygmaeus]" . . . . . 100.00 142 97.87 98.58 9.90e-93 . . . . 3442 1 251 no GB AAA66031 . "alpha-2 globin [Pongo pygmaeus]" . . . . . 100.00 142 97.87 98.58 9.90e-93 . . . . 3442 1 252 no GB AAB59407 . "hemoglobin alpha 2 [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 253 no GB AAB59408 . "hemoglobin alpha 1 [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 254 no PRF 0404170A . "hemoglobin alphaI" . . . . . 100.00 141 97.87 98.58 1.03e-92 . . . . 3442 1 255 no PRF 0907233A . "hemoglobin alpha" . . . . . 100.00 141 100.00 100.00 4.35e-95 . . . . 3442 1 256 no PRF 1004272B . "hemoglobin alpha" . . . . . 100.00 141 97.16 99.29 2.37e-92 . . . . 3442 1 257 no PRF 1509322A . "hemoglobin alpha" . . . . . 100.00 141 97.16 97.16 8.42e-92 . . . . 3442 1 258 no PRF 610524A . "hemoglobin alpha" . . . . . 100.00 141 99.29 100.00 1.86e-94 . . . . 3442 1 259 no REF NP_000508 . "hemoglobin subunit alpha [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 260 no REF NP_000549 . "hemoglobin subunit alpha [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 261 no REF NP_001036091 . "hemoglobin subunit alpha [Pan troglodytes]" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 262 no REF NP_001036092 . "hemoglobin subunit alpha [Pan troglodytes]" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 263 no REF NP_001125901 . "hemoglobin subunit alpha [Pongo abelii]" . . . . . 100.00 142 100.00 100.00 4.44e-95 . . . . 3442 1 264 no SP P01923 . "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain" . . . . . 100.00 141 99.29 100.00 1.86e-94 . . . . 3442 1 265 no SP P01924 . "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain" . . . . . 100.00 141 97.87 98.58 8.68e-93 . . . . 3442 1 266 no SP P06635 . "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain" . . . . . 100.00 142 97.87 98.58 9.90e-93 . . . . 3442 1 267 no SP P18972 . "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain" . . . . . 100.00 141 97.16 99.29 2.37e-92 . . . . 3442 1 268 no SP P21766 . "RecName: Full=Hemoglobin subunit alpha-1/2/3; AltName: Full=Alpha-1/2/3-globin; AltName: Full=Hemoglobin alpha-1/2/3 chain" . . . . . 100.00 141 97.16 97.87 2.48e-91 . . . . 3442 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'hemoglobin A alpha chain' common 3442 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 . VAL . 3442 1 2 . LEU . 3442 1 3 . SER . 3442 1 4 . PRO . 3442 1 5 . ALA . 3442 1 6 . ASP . 3442 1 7 . LYS . 3442 1 8 . THR . 3442 1 9 . ASN . 3442 1 10 . VAL . 3442 1 11 . LYS . 3442 1 12 . ALA . 3442 1 13 . ALA . 3442 1 14 . TRP . 3442 1 15 . GLY . 3442 1 16 . LYS . 3442 1 17 . VAL . 3442 1 18 . GLY . 3442 1 19 . ALA . 3442 1 20 . HIS . 3442 1 21 . ALA . 3442 1 22 . GLY . 3442 1 23 . GLU . 3442 1 24 . TYR . 3442 1 25 . GLY . 3442 1 26 . ALA . 3442 1 27 . GLU . 3442 1 28 . ALA . 3442 1 29 . LEU . 3442 1 30 . GLU . 3442 1 31 . ARG . 3442 1 32 . MET . 3442 1 33 . PHE . 3442 1 34 . LEU . 3442 1 35 . SER . 3442 1 36 . PHE . 3442 1 37 . PRO . 3442 1 38 . THR . 3442 1 39 . THR . 3442 1 40 . LYS . 3442 1 41 . THR . 3442 1 42 . TYR . 3442 1 43 . PHE . 3442 1 44 . PRO . 3442 1 45 . HIS . 3442 1 46 . PHE . 3442 1 47 . ASP . 3442 1 48 . LEU . 3442 1 49 . SER . 3442 1 50 . HIS . 3442 1 51 . GLY . 3442 1 52 . SER . 3442 1 53 . ALA . 3442 1 54 . GLN . 3442 1 55 . VAL . 3442 1 56 . LYS . 3442 1 57 . GLY . 3442 1 58 . HIS . 3442 1 59 . GLY . 3442 1 60 . LYS . 3442 1 61 . LYS . 3442 1 62 . VAL . 3442 1 63 . ALA . 3442 1 64 . ASP . 3442 1 65 . ALA . 3442 1 66 . LEU . 3442 1 67 . THR . 3442 1 68 . ASN . 3442 1 69 . ALA . 3442 1 70 . VAL . 3442 1 71 . ALA . 3442 1 72 . HIS . 3442 1 73 . VAL . 3442 1 74 . ASP . 3442 1 75 . ASP . 3442 1 76 . MET . 3442 1 77 . PRO . 3442 1 78 . ASN . 3442 1 79 . ALA . 3442 1 80 . LEU . 3442 1 81 . SER . 3442 1 82 . ALA . 3442 1 83 . LEU . 3442 1 84 . SER . 3442 1 85 . ASP . 3442 1 86 . LEU . 3442 1 87 . HIS . 3442 1 88 . ALA . 3442 1 89 . HIS . 3442 1 90 . LYS . 3442 1 91 . LEU . 3442 1 92 . ARG . 3442 1 93 . VAL . 3442 1 94 . ASP . 3442 1 95 . PRO . 3442 1 96 . VAL . 3442 1 97 . ASN . 3442 1 98 . PHE . 3442 1 99 . LYS . 3442 1 100 . LEU . 3442 1 101 . LEU . 3442 1 102 . SER . 3442 1 103 . HIS . 3442 1 104 . CYS . 3442 1 105 . LEU . 3442 1 106 . LEU . 3442 1 107 . VAL . 3442 1 108 . THR . 3442 1 109 . LEU . 3442 1 110 . ALA . 3442 1 111 . ALA . 3442 1 112 . HIS . 3442 1 113 . LEU . 3442 1 114 . PRO . 3442 1 115 . ALA . 3442 1 116 . GLU . 3442 1 117 . PHE . 3442 1 118 . THR . 3442 1 119 . PRO . 3442 1 120 . ALA . 3442 1 121 . VAL . 3442 1 122 . HIS . 3442 1 123 . ALA . 3442 1 124 . SER . 3442 1 125 . LEU . 3442 1 126 . ASP . 3442 1 127 . LYS . 3442 1 128 . PHE . 3442 1 129 . LEU . 3442 1 130 . ALA . 3442 1 131 . SER . 3442 1 132 . VAL . 3442 1 133 . SER . 3442 1 134 . THR . 3442 1 135 . VAL . 3442 1 136 . LEU . 3442 1 137 . THR . 3442 1 138 . SER . 3442 1 139 . LYS . 3442 1 140 . TYR . 3442 1 141 . ARG . 3442 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 . VAL 1 1 3442 1 . LEU 2 2 3442 1 . SER 3 3 3442 1 . PRO 4 4 3442 1 . ALA 5 5 3442 1 . ASP 6 6 3442 1 . LYS 7 7 3442 1 . THR 8 8 3442 1 . ASN 9 9 3442 1 . VAL 10 10 3442 1 . LYS 11 11 3442 1 . ALA 12 12 3442 1 . ALA 13 13 3442 1 . TRP 14 14 3442 1 . GLY 15 15 3442 1 . LYS 16 16 3442 1 . VAL 17 17 3442 1 . GLY 18 18 3442 1 . ALA 19 19 3442 1 . HIS 20 20 3442 1 . ALA 21 21 3442 1 . GLY 22 22 3442 1 . GLU 23 23 3442 1 . TYR 24 24 3442 1 . GLY 25 25 3442 1 . ALA 26 26 3442 1 . GLU 27 27 3442 1 . ALA 28 28 3442 1 . LEU 29 29 3442 1 . GLU 30 30 3442 1 . ARG 31 31 3442 1 . MET 32 32 3442 1 . PHE 33 33 3442 1 . LEU 34 34 3442 1 . SER 35 35 3442 1 . PHE 36 36 3442 1 . PRO 37 37 3442 1 . THR 38 38 3442 1 . THR 39 39 3442 1 . LYS 40 40 3442 1 . THR 41 41 3442 1 . TYR 42 42 3442 1 . PHE 43 43 3442 1 . PRO 44 44 3442 1 . HIS 45 45 3442 1 . PHE 46 46 3442 1 . ASP 47 47 3442 1 . LEU 48 48 3442 1 . SER 49 49 3442 1 . HIS 50 50 3442 1 . GLY 51 51 3442 1 . SER 52 52 3442 1 . ALA 53 53 3442 1 . GLN 54 54 3442 1 . VAL 55 55 3442 1 . LYS 56 56 3442 1 . GLY 57 57 3442 1 . HIS 58 58 3442 1 . GLY 59 59 3442 1 . LYS 60 60 3442 1 . LYS 61 61 3442 1 . VAL 62 62 3442 1 . ALA 63 63 3442 1 . ASP 64 64 3442 1 . ALA 65 65 3442 1 . LEU 66 66 3442 1 . THR 67 67 3442 1 . ASN 68 68 3442 1 . ALA 69 69 3442 1 . VAL 70 70 3442 1 . ALA 71 71 3442 1 . HIS 72 72 3442 1 . VAL 73 73 3442 1 . ASP 74 74 3442 1 . ASP 75 75 3442 1 . MET 76 76 3442 1 . PRO 77 77 3442 1 . ASN 78 78 3442 1 . ALA 79 79 3442 1 . LEU 80 80 3442 1 . SER 81 81 3442 1 . ALA 82 82 3442 1 . LEU 83 83 3442 1 . SER 84 84 3442 1 . ASP 85 85 3442 1 . LEU 86 86 3442 1 . HIS 87 87 3442 1 . ALA 88 88 3442 1 . HIS 89 89 3442 1 . LYS 90 90 3442 1 . LEU 91 91 3442 1 . ARG 92 92 3442 1 . VAL 93 93 3442 1 . ASP 94 94 3442 1 . PRO 95 95 3442 1 . VAL 96 96 3442 1 . ASN 97 97 3442 1 . PHE 98 98 3442 1 . LYS 99 99 3442 1 . LEU 100 100 3442 1 . LEU 101 101 3442 1 . SER 102 102 3442 1 . HIS 103 103 3442 1 . CYS 104 104 3442 1 . LEU 105 105 3442 1 . LEU 106 106 3442 1 . VAL 107 107 3442 1 . THR 108 108 3442 1 . LEU 109 109 3442 1 . ALA 110 110 3442 1 . ALA 111 111 3442 1 . HIS 112 112 3442 1 . LEU 113 113 3442 1 . PRO 114 114 3442 1 . ALA 115 115 3442 1 . GLU 116 116 3442 1 . PHE 117 117 3442 1 . THR 118 118 3442 1 . PRO 119 119 3442 1 . ALA 120 120 3442 1 . VAL 121 121 3442 1 . HIS 122 122 3442 1 . ALA 123 123 3442 1 . SER 124 124 3442 1 . LEU 125 125 3442 1 . ASP 126 126 3442 1 . LYS 127 127 3442 1 . PHE 128 128 3442 1 . LEU 129 129 3442 1 . ALA 130 130 3442 1 . SER 131 131 3442 1 . VAL 132 132 3442 1 . SER 133 133 3442 1 . THR 134 134 3442 1 . VAL 135 135 3442 1 . LEU 136 136 3442 1 . THR 137 137 3442 1 . SER 138 138 3442 1 . LYS 139 139 3442 1 . TYR 140 140 3442 1 . ARG 141 141 3442 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 3442 _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 $hemoglobin_A_alpha_chain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . erythrocytes . . . . . . . . . . . . . . . . 3442 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 3442 _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 $hemoglobin_A_alpha_chain . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3442 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 3442 _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 3442 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.6 . na 3442 1 temperature 310 . K 3442 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 3442 _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 3442 _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' . . 3442 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 3442 _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 . . . . . . . . . . . . . . . . 3442 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 3442 _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 . DSS . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 3442 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 3442 _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 . 3442 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 10 10 VAL H H 1 8.57 . . 1 . . . . . . . . 3442 1 2 . 1 1 10 10 VAL HA H 1 3.43 . . 1 . . . . . . . . 3442 1 3 . 1 1 10 10 VAL HB H 1 1.9 . . 1 . . . . . . . . 3442 1 4 . 1 1 10 10 VAL HG11 H 1 .84 . . 2 . . . . . . . . 3442 1 5 . 1 1 10 10 VAL HG12 H 1 .84 . . 2 . . . . . . . . 3442 1 6 . 1 1 10 10 VAL HG13 H 1 .84 . . 2 . . . . . . . . 3442 1 7 . 1 1 10 10 VAL HG21 H 1 .15 . . 2 . . . . . . . . 3442 1 8 . 1 1 10 10 VAL HG22 H 1 .15 . . 2 . . . . . . . . 3442 1 9 . 1 1 10 10 VAL HG23 H 1 .15 . . 2 . . . . . . . . 3442 1 10 . 1 1 11 11 LYS H H 1 8.05 . . 1 . . . . . . . . 3442 1 11 . 1 1 11 11 LYS HA H 1 3.85 . . 1 . . . . . . . . 3442 1 12 . 1 1 12 12 ALA H H 1 8.25 . . 1 . . . . . . . . 3442 1 13 . 1 1 12 12 ALA HA H 1 4.18 . . 1 . . . . . . . . 3442 1 14 . 1 1 12 12 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 3442 1 15 . 1 1 12 12 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 3442 1 16 . 1 1 12 12 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 3442 1 17 . 1 1 13 13 ALA H H 1 8.33 . . 1 . . . . . . . . 3442 1 18 . 1 1 13 13 ALA HA H 1 4.09 . . 1 . . . . . . . . 3442 1 19 . 1 1 13 13 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 3442 1 20 . 1 1 13 13 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 3442 1 21 . 1 1 13 13 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 3442 1 22 . 1 1 14 14 TRP H H 1 9.09 . . 1 . . . . . . . . 3442 1 23 . 1 1 14 14 TRP HA H 1 4.19 . . 1 . . . . . . . . 3442 1 24 . 1 1 14 14 TRP HB2 H 1 3.33 . . 2 . . . . . . . . 3442 1 25 . 1 1 14 14 TRP HB3 H 1 3.18 . . 2 . . . . . . . . 3442 1 26 . 1 1 14 14 TRP HD1 H 1 7.28 . . 1 . . . . . . . . 3442 1 27 . 1 1 14 14 TRP HE1 H 1 10.4 . . 1 . . . . . . . . 3442 1 28 . 1 1 14 14 TRP HE3 H 1 7.24 . . 1 . . . . . . . . 3442 1 29 . 1 1 14 14 TRP HZ2 H 1 7.58 . . 1 . . . . . . . . 3442 1 30 . 1 1 14 14 TRP HZ3 H 1 6.9 . . 1 . . . . . . . . 3442 1 31 . 1 1 14 14 TRP HH2 H 1 6.95 . . 1 . . . . . . . . 3442 1 32 . 1 1 15 15 GLY H H 1 8.05 . . 1 . . . . . . . . 3442 1 33 . 1 1 15 15 GLY HA2 H 1 3.95 . . 1 . . . . . . . . 3442 1 34 . 1 1 15 15 GLY HA3 H 1 3.95 . . 1 . . . . . . . . 3442 1 35 . 1 1 16 16 LYS H H 1 7.36 . . 1 . . . . . . . . 3442 1 36 . 1 1 16 16 LYS HA H 1 4.18 . . 1 . . . . . . . . 3442 1 37 . 1 1 16 16 LYS HB2 H 1 2.02 . . 2 . . . . . . . . 3442 1 38 . 1 1 16 16 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 3442 1 39 . 1 1 17 17 VAL H H 1 7.59 . . 1 . . . . . . . . 3442 1 40 . 1 1 17 17 VAL HA H 1 3.37 . . 1 . . . . . . . . 3442 1 41 . 1 1 17 17 VAL HB H 1 1.65 . . 1 . . . . . . . . 3442 1 42 . 1 1 17 17 VAL HG11 H 1 .61 . . 2 . . . . . . . . 3442 1 43 . 1 1 17 17 VAL HG12 H 1 .61 . . 2 . . . . . . . . 3442 1 44 . 1 1 17 17 VAL HG13 H 1 .61 . . 2 . . . . . . . . 3442 1 45 . 1 1 17 17 VAL HG21 H 1 .09 . . 2 . . . . . . . . 3442 1 46 . 1 1 17 17 VAL HG22 H 1 .09 . . 2 . . . . . . . . 3442 1 47 . 1 1 17 17 VAL HG23 H 1 .09 . . 2 . . . . . . . . 3442 1 48 . 1 1 18 18 GLY H H 1 7.34 . . 1 . . . . . . . . 3442 1 49 . 1 1 18 18 GLY HA2 H 1 3.66 . . 2 . . . . . . . . 3442 1 50 . 1 1 18 18 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 3442 1 51 . 1 1 19 19 ALA H H 1 8.71 . . 1 . . . . . . . . 3442 1 52 . 1 1 19 19 ALA HA H 1 4.13 . . 1 . . . . . . . . 3442 1 53 . 1 1 19 19 ALA HB1 H 1 1.17 . . 1 . . . . . . . . 3442 1 54 . 1 1 19 19 ALA HB2 H 1 1.17 . . 1 . . . . . . . . 3442 1 55 . 1 1 19 19 ALA HB3 H 1 1.17 . . 1 . . . . . . . . 3442 1 56 . 1 1 20 20 HIS H H 1 7.78 . . 1 . . . . . . . . 3442 1 57 . 1 1 20 20 HIS HA H 1 4.35 . . 1 . . . . . . . . 3442 1 58 . 1 1 20 20 HIS HB2 H 1 2.38 . . 2 . . . . . . . . 3442 1 59 . 1 1 20 20 HIS HB3 H 1 2.29 . . 2 . . . . . . . . 3442 1 60 . 1 1 20 20 HIS HD1 H 1 7.28 . . 1 . . . . . . . . 3442 1 61 . 1 1 20 20 HIS HD2 H 1 7.28 . . 1 . . . . . . . . 3442 1 62 . 1 1 20 20 HIS HE1 H 1 8.51 . . 1 . . . . . . . . 3442 1 63 . 1 1 20 20 HIS HE2 H 1 8.51 . . 1 . . . . . . . . 3442 1 64 . 1 1 21 21 ALA H H 1 7.05 . . 1 . . . . . . . . 3442 1 65 . 1 1 21 21 ALA HA H 1 3.14 . . 1 . . . . . . . . 3442 1 66 . 1 1 21 21 ALA HB1 H 1 1.26 . . 1 . . . . . . . . 3442 1 67 . 1 1 21 21 ALA HB2 H 1 1.26 . . 1 . . . . . . . . 3442 1 68 . 1 1 21 21 ALA HB3 H 1 1.26 . . 1 . . . . . . . . 3442 1 69 . 1 1 22 22 GLY H H 1 8.44 . . 1 . . . . . . . . 3442 1 70 . 1 1 22 22 GLY HA2 H 1 3.59 . . 2 . . . . . . . . 3442 1 71 . 1 1 22 22 GLY HA3 H 1 3.41 . . 2 . . . . . . . . 3442 1 72 . 1 1 23 23 GLU H H 1 7.72 . . 1 . . . . . . . . 3442 1 73 . 1 1 23 23 GLU HA H 1 3.91 . . 1 . . . . . . . . 3442 1 74 . 1 1 23 23 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 3442 1 75 . 1 1 23 23 GLU HB3 H 1 1.9 . . 2 . . . . . . . . 3442 1 76 . 1 1 23 23 GLU HG2 H 1 2.19 . . 1 . . . . . . . . 3442 1 77 . 1 1 23 23 GLU HG3 H 1 2.19 . . 1 . . . . . . . . 3442 1 78 . 1 1 24 24 TYR H H 1 7.99 . . 1 . . . . . . . . 3442 1 79 . 1 1 24 24 TYR HA H 1 4.38 . . 1 . . . . . . . . 3442 1 80 . 1 1 24 24 TYR HB2 H 1 2.81 . . 2 . . . . . . . . 3442 1 81 . 1 1 24 24 TYR HB3 H 1 2.74 . . 2 . . . . . . . . 3442 1 82 . 1 1 24 24 TYR HD1 H 1 6.35 . . 1 . . . . . . . . 3442 1 83 . 1 1 24 24 TYR HD2 H 1 6.35 . . 1 . . . . . . . . 3442 1 84 . 1 1 24 24 TYR HE1 H 1 6.12 . . 1 . . . . . . . . 3442 1 85 . 1 1 24 24 TYR HE2 H 1 6.12 . . 1 . . . . . . . . 3442 1 86 . 1 1 25 25 GLY H H 1 8.76 . . 1 . . . . . . . . 3442 1 87 . 1 1 25 25 GLY HA2 H 1 3.42 . . 2 . . . . . . . . 3442 1 88 . 1 1 25 25 GLY HA3 H 1 3.29 . . 2 . . . . . . . . 3442 1 89 . 1 1 26 26 ALA H H 1 7.75 . . 1 . . . . . . . . 3442 1 90 . 1 1 26 26 ALA HA H 1 3.6 . . 1 . . . . . . . . 3442 1 91 . 1 1 26 26 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 3442 1 92 . 1 1 26 26 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 3442 1 93 . 1 1 26 26 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 3442 1 94 . 1 1 27 27 GLU H H 1 7.82 . . 1 . . . . . . . . 3442 1 95 . 1 1 27 27 GLU HA H 1 3.91 . . 1 . . . . . . . . 3442 1 96 . 1 1 27 27 GLU HG2 H 1 2.2 . . 1 . . . . . . . . 3442 1 97 . 1 1 27 27 GLU HG3 H 1 2.2 . . 1 . . . . . . . . 3442 1 98 . 1 1 28 28 ALA H H 1 8.34 . . 1 . . . . . . . . 3442 1 99 . 1 1 28 28 ALA HA H 1 3.57 . . 1 . . . . . . . . 3442 1 100 . 1 1 28 28 ALA HB1 H 1 1.2 . . 1 . . . . . . . . 3442 1 101 . 1 1 28 28 ALA HB2 H 1 1.2 . . 1 . . . . . . . . 3442 1 102 . 1 1 28 28 ALA HB3 H 1 1.2 . . 1 . . . . . . . . 3442 1 103 . 1 1 29 29 LEU H H 1 7.79 . . 1 . . . . . . . . 3442 1 104 . 1 1 29 29 LEU HA H 1 3.04 . . 1 . . . . . . . . 3442 1 105 . 1 1 29 29 LEU HB2 H 1 1.38 . . 2 . . . . . . . . 3442 1 106 . 1 1 29 29 LEU HB3 H 1 .54 . . 2 . . . . . . . . 3442 1 107 . 1 1 29 29 LEU HG H 1 .93 . . 1 . . . . . . . . 3442 1 108 . 1 1 29 29 LEU HD11 H 1 .21 . . 2 . . . . . . . . 3442 1 109 . 1 1 29 29 LEU HD12 H 1 .21 . . 2 . . . . . . . . 3442 1 110 . 1 1 29 29 LEU HD13 H 1 .21 . . 2 . . . . . . . . 3442 1 111 . 1 1 29 29 LEU HD21 H 1 .54 . . 2 . . . . . . . . 3442 1 112 . 1 1 29 29 LEU HD22 H 1 .54 . . 2 . . . . . . . . 3442 1 113 . 1 1 29 29 LEU HD23 H 1 .54 . . 2 . . . . . . . . 3442 1 114 . 1 1 30 30 GLU H H 1 7.31 . . 1 . . . . . . . . 3442 1 115 . 1 1 30 30 GLU HA H 1 4.06 . . 1 . . . . . . . . 3442 1 116 . 1 1 30 30 GLU HB2 H 1 2.02 . . 1 . . . . . . . . 3442 1 117 . 1 1 30 30 GLU HB3 H 1 2.02 . . 1 . . . . . . . . 3442 1 118 . 1 1 31 31 ARG H H 1 7.32 . . 1 . . . . . . . . 3442 1 119 . 1 1 31 31 ARG HD2 H 1 3.1 . . 1 . . . . . . . . 3442 1 120 . 1 1 31 31 ARG HD3 H 1 3.1 . . 1 . . . . . . . . 3442 1 121 . 1 1 31 31 ARG HE H 1 7.08 . . 1 . . . . . . . . 3442 1 122 . 1 1 32 32 MET H H 1 8.36 . . 1 . . . . . . . . 3442 1 123 . 1 1 32 32 MET HB2 H 1 1.73 . . 1 . . . . . . . . 3442 1 124 . 1 1 32 32 MET HB3 H 1 1.73 . . 1 . . . . . . . . 3442 1 125 . 1 1 32 32 MET HE1 H 1 1.42 . . 1 . . . . . . . . 3442 1 126 . 1 1 32 32 MET HE2 H 1 1.42 . . 1 . . . . . . . . 3442 1 127 . 1 1 32 32 MET HE3 H 1 1.42 . . 1 . . . . . . . . 3442 1 128 . 1 1 33 33 PHE H H 1 8.01 . . 1 . . . . . . . . 3442 1 129 . 1 1 33 33 PHE HA H 1 4.34 . . 1 . . . . . . . . 3442 1 130 . 1 1 33 33 PHE HB2 H 1 2.97 . . 2 . . . . . . . . 3442 1 131 . 1 1 33 33 PHE HB3 H 1 2.92 . . 2 . . . . . . . . 3442 1 132 . 1 1 33 33 PHE HD1 H 1 7.07 . . 1 . . . . . . . . 3442 1 133 . 1 1 33 33 PHE HD2 H 1 7.07 . . 1 . . . . . . . . 3442 1 134 . 1 1 33 33 PHE HE1 H 1 6.48 . . 1 . . . . . . . . 3442 1 135 . 1 1 33 33 PHE HE2 H 1 6.48 . . 1 . . . . . . . . 3442 1 136 . 1 1 33 33 PHE HZ H 1 4.91 . . 1 . . . . . . . . 3442 1 137 . 1 1 36 36 PHE HA H 1 5.35 . . 1 . . . . . . . . 3442 1 138 . 1 1 36 36 PHE HB2 H 1 3.25 . . 1 . . . . . . . . 3442 1 139 . 1 1 36 36 PHE HB3 H 1 3.25 . . 1 . . . . . . . . 3442 1 140 . 1 1 36 36 PHE HD1 H 1 7.33 . . 1 . . . . . . . . 3442 1 141 . 1 1 36 36 PHE HD2 H 1 7.33 . . 1 . . . . . . . . 3442 1 142 . 1 1 36 36 PHE HE1 H 1 7.28 . . 1 . . . . . . . . 3442 1 143 . 1 1 36 36 PHE HE2 H 1 7.28 . . 1 . . . . . . . . 3442 1 144 . 1 1 37 37 PRO HA H 1 4.42 . . 1 . . . . . . . . 3442 1 145 . 1 1 37 37 PRO HB2 H 1 2.53 . . 1 . . . . . . . . 3442 1 146 . 1 1 37 37 PRO HB3 H 1 2.53 . . 1 . . . . . . . . 3442 1 147 . 1 1 37 37 PRO HG2 H 1 2.11 . . 1 . . . . . . . . 3442 1 148 . 1 1 37 37 PRO HG3 H 1 2.11 . . 1 . . . . . . . . 3442 1 149 . 1 1 37 37 PRO HD2 H 1 3.81 . . 2 . . . . . . . . 3442 1 150 . 1 1 37 37 PRO HD3 H 1 3.43 . . 2 . . . . . . . . 3442 1 151 . 1 1 38 38 THR H H 1 8.23 . . 1 . . . . . . . . 3442 1 152 . 1 1 38 38 THR HA H 1 4.59 . . 1 . . . . . . . . 3442 1 153 . 1 1 38 38 THR HB H 1 4.08 . . 1 . . . . . . . . 3442 1 154 . 1 1 38 38 THR HG21 H 1 1.33 . . 1 . . . . . . . . 3442 1 155 . 1 1 38 38 THR HG22 H 1 1.33 . . 1 . . . . . . . . 3442 1 156 . 1 1 38 38 THR HG23 H 1 1.33 . . 1 . . . . . . . . 3442 1 157 . 1 1 39 39 THR H H 1 8.57 . . 1 . . . . . . . . 3442 1 158 . 1 1 39 39 THR HA H 1 4.47 . . 1 . . . . . . . . 3442 1 159 . 1 1 39 39 THR HB H 1 3.8 . . 1 . . . . . . . . 3442 1 160 . 1 1 39 39 THR HG21 H 1 1.54 . . 1 . . . . . . . . 3442 1 161 . 1 1 39 39 THR HG22 H 1 1.54 . . 1 . . . . . . . . 3442 1 162 . 1 1 39 39 THR HG23 H 1 1.54 . . 1 . . . . . . . . 3442 1 163 . 1 1 40 40 LYS H H 1 8.11 . . 1 . . . . . . . . 3442 1 164 . 1 1 40 40 LYS HA H 1 3.95 . . 1 . . . . . . . . 3442 1 165 . 1 1 41 41 THR H H 1 8.09 . . 1 . . . . . . . . 3442 1 166 . 1 1 41 41 THR HA H 1 4.22 . . 1 . . . . . . . . 3442 1 167 . 1 1 41 41 THR HB H 1 4.05 . . 1 . . . . . . . . 3442 1 168 . 1 1 41 41 THR HG21 H 1 1.21 . . 1 . . . . . . . . 3442 1 169 . 1 1 41 41 THR HG22 H 1 1.21 . . 1 . . . . . . . . 3442 1 170 . 1 1 41 41 THR HG23 H 1 1.21 . . 1 . . . . . . . . 3442 1 171 . 1 1 42 42 TYR H H 1 7.62 . . 1 . . . . . . . . 3442 1 172 . 1 1 42 42 TYR HA H 1 4.52 . . 1 . . . . . . . . 3442 1 173 . 1 1 42 42 TYR HB2 H 1 2.97 . . 2 . . . . . . . . 3442 1 174 . 1 1 42 42 TYR HB3 H 1 2.92 . . 2 . . . . . . . . 3442 1 175 . 1 1 42 42 TYR HD1 H 1 7.75 . . 1 . . . . . . . . 3442 1 176 . 1 1 42 42 TYR HD2 H 1 7.75 . . 1 . . . . . . . . 3442 1 177 . 1 1 42 42 TYR HE1 H 1 7.16 . . 1 . . . . . . . . 3442 1 178 . 1 1 42 42 TYR HE2 H 1 7.16 . . 1 . . . . . . . . 3442 1 179 . 1 1 43 43 PHE HA H 1 4.75 . . 1 . . . . . . . . 3442 1 180 . 1 1 43 43 PHE HB2 H 1 2.38 . . 2 . . . . . . . . 3442 1 181 . 1 1 43 43 PHE HB3 H 1 2.31 . . 2 . . . . . . . . 3442 1 182 . 1 1 43 43 PHE HD1 H 1 6.24 . . 1 . . . . . . . . 3442 1 183 . 1 1 43 43 PHE HD2 H 1 6.24 . . 1 . . . . . . . . 3442 1 184 . 1 1 43 43 PHE HE1 H 1 5.99 . . 1 . . . . . . . . 3442 1 185 . 1 1 43 43 PHE HE2 H 1 5.99 . . 1 . . . . . . . . 3442 1 186 . 1 1 43 43 PHE HZ H 1 4.87 . . 1 . . . . . . . . 3442 1 187 . 1 1 44 44 PRO HA H 1 4.46 . . 1 . . . . . . . . 3442 1 188 . 1 1 44 44 PRO HB2 H 1 2.21 . . 2 . . . . . . . . 3442 1 189 . 1 1 44 44 PRO HB3 H 1 2.09 . . 2 . . . . . . . . 3442 1 190 . 1 1 44 44 PRO HG2 H 1 1.86 . . 2 . . . . . . . . 3442 1 191 . 1 1 44 44 PRO HG3 H 1 1.73 . . 2 . . . . . . . . 3442 1 192 . 1 1 44 44 PRO HD2 H 1 3.54 . . 1 . . . . . . . . 3442 1 193 . 1 1 44 44 PRO HD3 H 1 3.54 . . 1 . . . . . . . . 3442 1 194 . 1 1 45 45 HIS H H 1 9.2 . . 1 . . . . . . . . 3442 1 195 . 1 1 45 45 HIS HA H 1 4.85 . . 1 . . . . . . . . 3442 1 196 . 1 1 45 45 HIS HB2 H 1 3.39 . . 2 . . . . . . . . 3442 1 197 . 1 1 45 45 HIS HB3 H 1 3.33 . . 2 . . . . . . . . 3442 1 198 . 1 1 45 45 HIS HD2 H 1 7.33 . . 1 . . . . . . . . 3442 1 199 . 1 1 45 45 HIS HE1 H 1 8.33 . . 1 . . . . . . . . 3442 1 200 . 1 1 46 46 PHE H H 1 7.52 . . 1 . . . . . . . . 3442 1 201 . 1 1 46 46 PHE HB2 H 1 3.12 . . 1 . . . . . . . . 3442 1 202 . 1 1 46 46 PHE HB3 H 1 3.12 . . 1 . . . . . . . . 3442 1 203 . 1 1 46 46 PHE HD1 H 1 6.63 . . 1 . . . . . . . . 3442 1 204 . 1 1 46 46 PHE HD2 H 1 6.63 . . 1 . . . . . . . . 3442 1 205 . 1 1 46 46 PHE HE1 H 1 6.89 . . 1 . . . . . . . . 3442 1 206 . 1 1 46 46 PHE HE2 H 1 6.89 . . 1 . . . . . . . . 3442 1 207 . 1 1 46 46 PHE HZ H 1 6.91 . . 1 . . . . . . . . 3442 1 208 . 1 1 48 48 LEU H H 1 8.52 . . 1 . . . . . . . . 3442 1 209 . 1 1 48 48 LEU HA H 1 4.35 . . 1 . . . . . . . . 3442 1 210 . 1 1 48 48 LEU HB2 H 1 1.28 . . 1 . . . . . . . . 3442 1 211 . 1 1 48 48 LEU HB3 H 1 1.28 . . 1 . . . . . . . . 3442 1 212 . 1 1 48 48 LEU HG H 1 1.34 . . 1 . . . . . . . . 3442 1 213 . 1 1 48 48 LEU HD11 H 1 .35 . . 2 . . . . . . . . 3442 1 214 . 1 1 48 48 LEU HD12 H 1 .35 . . 2 . . . . . . . . 3442 1 215 . 1 1 48 48 LEU HD13 H 1 .35 . . 2 . . . . . . . . 3442 1 216 . 1 1 48 48 LEU HD21 H 1 .02 . . 2 . . . . . . . . 3442 1 217 . 1 1 48 48 LEU HD22 H 1 .02 . . 2 . . . . . . . . 3442 1 218 . 1 1 48 48 LEU HD23 H 1 .02 . . 2 . . . . . . . . 3442 1 219 . 1 1 49 49 SER H H 1 8.23 . . 1 . . . . . . . . 3442 1 220 . 1 1 49 49 SER HA H 1 4.15 . . 1 . . . . . . . . 3442 1 221 . 1 1 49 49 SER HB2 H 1 3.93 . . 1 . . . . . . . . 3442 1 222 . 1 1 49 49 SER HB3 H 1 3.93 . . 1 . . . . . . . . 3442 1 223 . 1 1 50 50 HIS H H 1 8.67 . . 1 . . . . . . . . 3442 1 224 . 1 1 50 50 HIS HA H 1 4.38 . . 1 . . . . . . . . 3442 1 225 . 1 1 50 50 HIS HB2 H 1 3.21 . . 2 . . . . . . . . 3442 1 226 . 1 1 50 50 HIS HB3 H 1 3.05 . . 2 . . . . . . . . 3442 1 227 . 1 1 50 50 HIS HD2 H 1 7.17 . . 1 . . . . . . . . 3442 1 228 . 1 1 50 50 HIS HE1 H 1 8.49 . . 1 . . . . . . . . 3442 1 229 . 1 1 51 51 GLY H H 1 8.11 . . 1 . . . . . . . . 3442 1 230 . 1 1 51 51 GLY HA2 H 1 4.05 . . 2 . . . . . . . . 3442 1 231 . 1 1 51 51 GLY HA3 H 1 3.95 . . 2 . . . . . . . . 3442 1 232 . 1 1 52 52 SER H H 1 7.33 . . 1 . . . . . . . . 3442 1 233 . 1 1 52 52 SER HA H 1 4.07 . . 1 . . . . . . . . 3442 1 234 . 1 1 52 52 SER HB2 H 1 3.79 . . 2 . . . . . . . . 3442 1 235 . 1 1 52 52 SER HB3 H 1 3.69 . . 2 . . . . . . . . 3442 1 236 . 1 1 53 53 ALA H H 1 9.06 . . 1 . . . . . . . . 3442 1 237 . 1 1 53 53 ALA HA H 1 3.96 . . 1 . . . . . . . . 3442 1 238 . 1 1 53 53 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 3442 1 239 . 1 1 53 53 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 3442 1 240 . 1 1 53 53 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 3442 1 241 . 1 1 54 54 GLN H H 1 8.2 . . 1 . . . . . . . . 3442 1 242 . 1 1 54 54 GLN HA H 1 3.95 . . 1 . . . . . . . . 3442 1 243 . 1 1 54 54 GLN HB2 H 1 1.82 . . 1 . . . . . . . . 3442 1 244 . 1 1 54 54 GLN HB3 H 1 1.82 . . 1 . . . . . . . . 3442 1 245 . 1 1 54 54 GLN HG2 H 1 2.12 . . 1 . . . . . . . . 3442 1 246 . 1 1 54 54 GLN HG3 H 1 2.12 . . 1 . . . . . . . . 3442 1 247 . 1 1 54 54 GLN HE21 H 1 7.48 . . 2 . . . . . . . . 3442 1 248 . 1 1 54 54 GLN HE22 H 1 6.7 . . 2 . . . . . . . . 3442 1 249 . 1 1 55 55 VAL H H 1 7.43 . . 1 . . . . . . . . 3442 1 250 . 1 1 55 55 VAL HA H 1 3.22 . . 1 . . . . . . . . 3442 1 251 . 1 1 55 55 VAL HB H 1 1.98 . . 1 . . . . . . . . 3442 1 252 . 1 1 55 55 VAL HG11 H 1 .99 . . 2 . . . . . . . . 3442 1 253 . 1 1 55 55 VAL HG12 H 1 .99 . . 2 . . . . . . . . 3442 1 254 . 1 1 55 55 VAL HG13 H 1 .99 . . 2 . . . . . . . . 3442 1 255 . 1 1 55 55 VAL HG21 H 1 .79 . . 2 . . . . . . . . 3442 1 256 . 1 1 55 55 VAL HG22 H 1 .79 . . 2 . . . . . . . . 3442 1 257 . 1 1 55 55 VAL HG23 H 1 .79 . . 2 . . . . . . . . 3442 1 258 . 1 1 56 56 LYS H H 1 7.85 . . 1 . . . . . . . . 3442 1 259 . 1 1 56 56 LYS HA H 1 3.68 . . 1 . . . . . . . . 3442 1 260 . 1 1 56 56 LYS HB2 H 1 1.65 . . 1 . . . . . . . . 3442 1 261 . 1 1 56 56 LYS HB3 H 1 1.65 . . 1 . . . . . . . . 3442 1 262 . 1 1 56 56 LYS HG2 H 1 1.48 . . 1 . . . . . . . . 3442 1 263 . 1 1 56 56 LYS HG3 H 1 1.48 . . 1 . . . . . . . . 3442 1 264 . 1 1 57 57 GLY H H 1 8.18 . . 1 . . . . . . . . 3442 1 265 . 1 1 57 57 GLY HA2 H 1 4.32 . . 1 . . . . . . . . 3442 1 266 . 1 1 57 57 GLY HA3 H 1 4.32 . . 1 . . . . . . . . 3442 1 267 . 1 1 58 58 HIS H H 1 7.92 . . 1 . . . . . . . . 3442 1 268 . 1 1 58 58 HIS HA H 1 3.82 . . 1 . . . . . . . . 3442 1 269 . 1 1 58 58 HIS HB2 H 1 2.71 . . 2 . . . . . . . . 3442 1 270 . 1 1 58 58 HIS HB3 H 1 2.22 . . 2 . . . . . . . . 3442 1 271 . 1 1 59 59 GLY H H 1 8.39 . . 1 . . . . . . . . 3442 1 272 . 1 1 59 59 GLY HA2 H 1 2.96 . . 2 . . . . . . . . 3442 1 273 . 1 1 59 59 GLY HA3 H 1 2.55 . . 2 . . . . . . . . 3442 1 274 . 1 1 60 60 LYS H H 1 7.16 . . 1 . . . . . . . . 3442 1 275 . 1 1 60 60 LYS HA H 1 3.84 . . 1 . . . . . . . . 3442 1 276 . 1 1 60 60 LYS HB2 H 1 1.81 . . 2 . . . . . . . . 3442 1 277 . 1 1 60 60 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 3442 1 278 . 1 1 61 61 LYS H H 1 7.04 . . 1 . . . . . . . . 3442 1 279 . 1 1 61 61 LYS HB2 H 1 1.75 . . 2 . . . . . . . . 3442 1 280 . 1 1 61 61 LYS HB3 H 1 1.65 . . 2 . . . . . . . . 3442 1 281 . 1 1 62 62 VAL H H 1 7.43 . . 1 . . . . . . . . 3442 1 282 . 1 1 62 62 VAL HA H 1 3.29 . . 1 . . . . . . . . 3442 1 283 . 1 1 62 62 VAL HB H 1 .88 . . 1 . . . . . . . . 3442 1 284 . 1 1 62 62 VAL HG11 H 1 .12 . . 2 . . . . . . . . 3442 1 285 . 1 1 62 62 VAL HG12 H 1 .12 . . 2 . . . . . . . . 3442 1 286 . 1 1 62 62 VAL HG13 H 1 .12 . . 2 . . . . . . . . 3442 1 287 . 1 1 62 62 VAL HG21 H 1 2.88 . . 2 . . . . . . . . 3442 1 288 . 1 1 62 62 VAL HG22 H 1 2.88 . . 2 . . . . . . . . 3442 1 289 . 1 1 62 62 VAL HG23 H 1 2.88 . . 2 . . . . . . . . 3442 1 290 . 1 1 63 63 ALA H H 1 7.99 . . 1 . . . . . . . . 3442 1 291 . 1 1 63 63 ALA HA H 1 4.1 . . 1 . . . . . . . . 3442 1 292 . 1 1 63 63 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 3442 1 293 . 1 1 63 63 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 3442 1 294 . 1 1 63 63 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 3442 1 295 . 1 1 64 64 ASP H H 1 9 . . 1 . . . . . . . . 3442 1 296 . 1 1 64 64 ASP HA H 1 4.7 . . 1 . . . . . . . . 3442 1 297 . 1 1 64 64 ASP HB2 H 1 3.02 . . 2 . . . . . . . . 3442 1 298 . 1 1 64 64 ASP HB3 H 1 2.8 . . 2 . . . . . . . . 3442 1 299 . 1 1 65 65 ALA H H 1 8.24 . . 1 . . . . . . . . 3442 1 300 . 1 1 65 65 ALA HA H 1 4.71 . . 1 . . . . . . . . 3442 1 301 . 1 1 65 65 ALA HB1 H 1 2.49 . . 1 . . . . . . . . 3442 1 302 . 1 1 65 65 ALA HB2 H 1 2.49 . . 1 . . . . . . . . 3442 1 303 . 1 1 65 65 ALA HB3 H 1 2.49 . . 1 . . . . . . . . 3442 1 304 . 1 1 66 66 LEU H H 1 8.49 . . 1 . . . . . . . . 3442 1 305 . 1 1 66 66 LEU HA H 1 4.22 . . 1 . . . . . . . . 3442 1 306 . 1 1 66 66 LEU HB2 H 1 2.39 . . 2 . . . . . . . . 3442 1 307 . 1 1 66 66 LEU HB3 H 1 2.31 . . 2 . . . . . . . . 3442 1 308 . 1 1 66 66 LEU HG H 1 2.28 . . 1 . . . . . . . . 3442 1 309 . 1 1 66 66 LEU HD11 H 1 1.01 . . 2 . . . . . . . . 3442 1 310 . 1 1 66 66 LEU HD12 H 1 1.01 . . 2 . . . . . . . . 3442 1 311 . 1 1 66 66 LEU HD13 H 1 1.01 . . 2 . . . . . . . . 3442 1 312 . 1 1 66 66 LEU HD21 H 1 .95 . . 2 . . . . . . . . 3442 1 313 . 1 1 66 66 LEU HD22 H 1 .95 . . 2 . . . . . . . . 3442 1 314 . 1 1 66 66 LEU HD23 H 1 .95 . . 2 . . . . . . . . 3442 1 315 . 1 1 67 67 THR H H 1 9.15 . . 1 . . . . . . . . 3442 1 316 . 1 1 67 67 THR HA H 1 3.8 . . 1 . . . . . . . . 3442 1 317 . 1 1 67 67 THR HB H 1 4.69 . . 1 . . . . . . . . 3442 1 318 . 1 1 67 67 THR HG21 H 1 1.45 . . 1 . . . . . . . . 3442 1 319 . 1 1 67 67 THR HG22 H 1 1.45 . . 1 . . . . . . . . 3442 1 320 . 1 1 67 67 THR HG23 H 1 1.45 . . 1 . . . . . . . . 3442 1 321 . 1 1 68 68 ASN H H 1 8.11 . . 1 . . . . . . . . 3442 1 322 . 1 1 68 68 ASN HA H 1 4.7 . . 1 . . . . . . . . 3442 1 323 . 1 1 68 68 ASN HB2 H 1 3.19 . . 2 . . . . . . . . 3442 1 324 . 1 1 68 68 ASN HB3 H 1 3.08 . . 2 . . . . . . . . 3442 1 325 . 1 1 68 68 ASN HD21 H 1 7.78 . . 2 . . . . . . . . 3442 1 326 . 1 1 68 68 ASN HD22 H 1 6.97 . . 2 . . . . . . . . 3442 1 327 . 1 1 69 69 ALA H H 1 8.45 . . 1 . . . . . . . . 3442 1 328 . 1 1 69 69 ALA HA H 1 3.91 . . 1 . . . . . . . . 3442 1 329 . 1 1 69 69 ALA HB1 H 1 1.71 . . 1 . . . . . . . . 3442 1 330 . 1 1 69 69 ALA HB2 H 1 1.71 . . 1 . . . . . . . . 3442 1 331 . 1 1 69 69 ALA HB3 H 1 1.71 . . 1 . . . . . . . . 3442 1 332 . 1 1 70 70 VAL H H 1 8.24 . . 1 . . . . . . . . 3442 1 333 . 1 1 70 70 VAL HA H 1 3.17 . . 1 . . . . . . . . 3442 1 334 . 1 1 70 70 VAL HB H 1 1.92 . . 1 . . . . . . . . 3442 1 335 . 1 1 70 70 VAL HG11 H 1 .72 . . 2 . . . . . . . . 3442 1 336 . 1 1 70 70 VAL HG12 H 1 .72 . . 2 . . . . . . . . 3442 1 337 . 1 1 70 70 VAL HG13 H 1 .72 . . 2 . . . . . . . . 3442 1 338 . 1 1 70 70 VAL HG21 H 1 .04 . . 2 . . . . . . . . 3442 1 339 . 1 1 70 70 VAL HG22 H 1 .04 . . 2 . . . . . . . . 3442 1 340 . 1 1 70 70 VAL HG23 H 1 .04 . . 2 . . . . . . . . 3442 1 341 . 1 1 71 71 ALA H H 1 7.7 . . 1 . . . . . . . . 3442 1 342 . 1 1 71 71 ALA HA H 1 4.05 . . 1 . . . . . . . . 3442 1 343 . 1 1 71 71 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 3442 1 344 . 1 1 71 71 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 3442 1 345 . 1 1 71 71 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 3442 1 346 . 1 1 72 72 HIS H H 1 7.67 . . 1 . . . . . . . . 3442 1 347 . 1 1 72 72 HIS HA H 1 4.85 . . 1 . . . . . . . . 3442 1 348 . 1 1 72 72 HIS HB2 H 1 2.61 . . 1 . . . . . . . . 3442 1 349 . 1 1 72 72 HIS HB3 H 1 2.61 . . 1 . . . . . . . . 3442 1 350 . 1 1 72 72 HIS HD2 H 1 7.52 . . 1 . . . . . . . . 3442 1 351 . 1 1 72 72 HIS HE1 H 1 8.63 . . 1 . . . . . . . . 3442 1 352 . 1 1 73 73 VAL H H 1 6.75 . . 1 . . . . . . . . 3442 1 353 . 1 1 73 73 VAL HA H 1 4.09 . . 1 . . . . . . . . 3442 1 354 . 1 1 73 73 VAL HB H 1 2.51 . . 1 . . . . . . . . 3442 1 355 . 1 1 73 73 VAL HG11 H 1 1.15 . . 2 . . . . . . . . 3442 1 356 . 1 1 73 73 VAL HG12 H 1 1.15 . . 2 . . . . . . . . 3442 1 357 . 1 1 73 73 VAL HG13 H 1 1.15 . . 2 . . . . . . . . 3442 1 358 . 1 1 73 73 VAL HG21 H 1 .99 . . 2 . . . . . . . . 3442 1 359 . 1 1 73 73 VAL HG22 H 1 .99 . . 2 . . . . . . . . 3442 1 360 . 1 1 73 73 VAL HG23 H 1 .99 . . 2 . . . . . . . . 3442 1 361 . 1 1 74 74 ASP H H 1 8.25 . . 1 . . . . . . . . 3442 1 362 . 1 1 74 74 ASP HA H 1 4.76 . . 1 . . . . . . . . 3442 1 363 . 1 1 74 74 ASP HB2 H 1 2.55 . . 1 . . . . . . . . 3442 1 364 . 1 1 74 74 ASP HB3 H 1 2.55 . . 1 . . . . . . . . 3442 1 365 . 1 1 75 75 ASP H H 1 8.29 . . 1 . . . . . . . . 3442 1 366 . 1 1 75 75 ASP HA H 1 5.01 . . 1 . . . . . . . . 3442 1 367 . 1 1 75 75 ASP HB2 H 1 2.67 . . 2 . . . . . . . . 3442 1 368 . 1 1 75 75 ASP HB3 H 1 2.55 . . 2 . . . . . . . . 3442 1 369 . 1 1 76 76 MET H H 1 8.51 . . 1 . . . . . . . . 3442 1 370 . 1 1 76 76 MET HA H 1 4.08 . . 1 . . . . . . . . 3442 1 371 . 1 1 76 76 MET HE1 H 1 2.03 . . 1 . . . . . . . . 3442 1 372 . 1 1 76 76 MET HE2 H 1 2.03 . . 1 . . . . . . . . 3442 1 373 . 1 1 76 76 MET HE3 H 1 2.03 . . 1 . . . . . . . . 3442 1 374 . 1 1 77 77 PRO HA H 1 3.99 . . 1 . . . . . . . . 3442 1 375 . 1 1 77 77 PRO HB2 H 1 1.71 . . 1 . . . . . . . . 3442 1 376 . 1 1 77 77 PRO HB3 H 1 1.71 . . 1 . . . . . . . . 3442 1 377 . 1 1 77 77 PRO HG2 H 1 1.86 . . 1 . . . . . . . . 3442 1 378 . 1 1 77 77 PRO HG3 H 1 1.86 . . 1 . . . . . . . . 3442 1 379 . 1 1 77 77 PRO HD2 H 1 3.79 . . 2 . . . . . . . . 3442 1 380 . 1 1 77 77 PRO HD3 H 1 3.7 . . 2 . . . . . . . . 3442 1 381 . 1 1 78 78 ASN H H 1 7.36 . . 1 . . . . . . . . 3442 1 382 . 1 1 78 78 ASN HA H 1 4.48 . . 1 . . . . . . . . 3442 1 383 . 1 1 78 78 ASN HB2 H 1 2.78 . . 2 . . . . . . . . 3442 1 384 . 1 1 78 78 ASN HB3 H 1 2.69 . . 2 . . . . . . . . 3442 1 385 . 1 1 78 78 ASN HD21 H 1 8.33 . . 2 . . . . . . . . 3442 1 386 . 1 1 78 78 ASN HD22 H 1 6.87 . . 2 . . . . . . . . 3442 1 387 . 1 1 79 79 ALA H H 1 7.88 . . 1 . . . . . . . . 3442 1 388 . 1 1 79 79 ALA HA H 1 4.05 . . 1 . . . . . . . . 3442 1 389 . 1 1 79 79 ALA HB1 H 1 1.19 . . 1 . . . . . . . . 3442 1 390 . 1 1 79 79 ALA HB2 H 1 1.19 . . 1 . . . . . . . . 3442 1 391 . 1 1 79 79 ALA HB3 H 1 1.19 . . 1 . . . . . . . . 3442 1 392 . 1 1 80 80 LEU H H 1 7.93 . . 1 . . . . . . . . 3442 1 393 . 1 1 80 80 LEU HA H 1 3.88 . . 1 . . . . . . . . 3442 1 394 . 1 1 80 80 LEU HB2 H 1 1.12 . . 1 . . . . . . . . 3442 1 395 . 1 1 80 80 LEU HB3 H 1 1.12 . . 1 . . . . . . . . 3442 1 396 . 1 1 80 80 LEU HG H 1 1.67 . . 1 . . . . . . . . 3442 1 397 . 1 1 80 80 LEU HD11 H 1 .86 . . 2 . . . . . . . . 3442 1 398 . 1 1 80 80 LEU HD12 H 1 .86 . . 2 . . . . . . . . 3442 1 399 . 1 1 80 80 LEU HD13 H 1 .86 . . 2 . . . . . . . . 3442 1 400 . 1 1 80 80 LEU HD21 H 1 .8 . . 2 . . . . . . . . 3442 1 401 . 1 1 80 80 LEU HD22 H 1 .8 . . 2 . . . . . . . . 3442 1 402 . 1 1 80 80 LEU HD23 H 1 .8 . . 2 . . . . . . . . 3442 1 403 . 1 1 81 81 SER H H 1 7.26 . . 1 . . . . . . . . 3442 1 404 . 1 1 81 81 SER HA H 1 3.85 . . 1 . . . . . . . . 3442 1 405 . 1 1 81 81 SER HB2 H 1 3.99 . . 1 . . . . . . . . 3442 1 406 . 1 1 81 81 SER HB3 H 1 3.99 . . 1 . . . . . . . . 3442 1 407 . 1 1 82 82 ALA H H 1 8.46 . . 1 . . . . . . . . 3442 1 408 . 1 1 82 82 ALA HA H 1 4.18 . . 1 . . . . . . . . 3442 1 409 . 1 1 82 82 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 3442 1 410 . 1 1 82 82 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 3442 1 411 . 1 1 82 82 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 3442 1 412 . 1 1 83 83 LEU H H 1 7.62 . . 1 . . . . . . . . 3442 1 413 . 1 1 83 83 LEU HA H 1 3.75 . . 1 . . . . . . . . 3442 1 414 . 1 1 83 83 LEU HB2 H 1 1.6 . . 2 . . . . . . . . 3442 1 415 . 1 1 83 83 LEU HB3 H 1 .56 . . 2 . . . . . . . . 3442 1 416 . 1 1 83 83 LEU HG H 1 1.43 . . 1 . . . . . . . . 3442 1 417 . 1 1 83 83 LEU HD11 H 1 1.19 . . 2 . . . . . . . . 3442 1 418 . 1 1 83 83 LEU HD12 H 1 1.19 . . 2 . . . . . . . . 3442 1 419 . 1 1 83 83 LEU HD13 H 1 1.19 . . 2 . . . . . . . . 3442 1 420 . 1 1 83 83 LEU HD21 H 1 .86 . . 2 . . . . . . . . 3442 1 421 . 1 1 83 83 LEU HD22 H 1 .86 . . 2 . . . . . . . . 3442 1 422 . 1 1 83 83 LEU HD23 H 1 .86 . . 2 . . . . . . . . 3442 1 423 . 1 1 84 84 SER H H 1 8.41 . . 1 . . . . . . . . 3442 1 424 . 1 1 84 84 SER HA H 1 3.87 . . 1 . . . . . . . . 3442 1 425 . 1 1 84 84 SER HB2 H 1 3.85 . . 2 . . . . . . . . 3442 1 426 . 1 1 84 84 SER HB3 H 1 3.76 . . 2 . . . . . . . . 3442 1 427 . 1 1 85 85 ASP H H 1 7.55 . . 1 . . . . . . . . 3442 1 428 . 1 1 85 85 ASP HA H 1 3.93 . . 1 . . . . . . . . 3442 1 429 . 1 1 85 85 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 3442 1 430 . 1 1 85 85 ASP HB3 H 1 2.59 . . 2 . . . . . . . . 3442 1 431 . 1 1 86 86 LEU H H 1 7.34 . . 1 . . . . . . . . 3442 1 432 . 1 1 86 86 LEU HA H 1 4.18 . . 1 . . . . . . . . 3442 1 433 . 1 1 86 86 LEU HB2 H 1 1.33 . . 2 . . . . . . . . 3442 1 434 . 1 1 86 86 LEU HB3 H 1 .87 . . 2 . . . . . . . . 3442 1 435 . 1 1 86 86 LEU HG H 1 .14 . . 1 . . . . . . . . 3442 1 436 . 1 1 86 86 LEU HD11 H 1 .63 . . 2 . . . . . . . . 3442 1 437 . 1 1 86 86 LEU HD12 H 1 .63 . . 2 . . . . . . . . 3442 1 438 . 1 1 86 86 LEU HD13 H 1 .63 . . 2 . . . . . . . . 3442 1 439 . 1 1 86 86 LEU HD21 H 1 .05 . . 2 . . . . . . . . 3442 1 440 . 1 1 86 86 LEU HD22 H 1 .05 . . 2 . . . . . . . . 3442 1 441 . 1 1 86 86 LEU HD23 H 1 .05 . . 2 . . . . . . . . 3442 1 442 . 1 1 87 87 HIS H H 1 6.99 . . 1 . . . . . . . . 3442 1 443 . 1 1 87 87 HIS HA H 1 2.64 . . 1 . . . . . . . . 3442 1 444 . 1 1 87 87 HIS HB2 H 1 1.95 . . 2 . . . . . . . . 3442 1 445 . 1 1 87 87 HIS HB3 H 1 1.88 . . 2 . . . . . . . . 3442 1 446 . 1 1 87 87 HIS HD1 H 1 9.92 . . 1 . . . . . . . . 3442 1 447 . 1 1 87 87 HIS HD2 H 1 1.03 . . 1 . . . . . . . . 3442 1 448 . 1 1 87 87 HIS HE1 H 1 2.02 . . 1 . . . . . . . . 3442 1 449 . 1 1 88 88 ALA H H 1 7.79 . . 1 . . . . . . . . 3442 1 450 . 1 1 88 88 ALA HA H 1 3.68 . . 1 . . . . . . . . 3442 1 451 . 1 1 88 88 ALA HB1 H 1 .54 . . 1 . . . . . . . . 3442 1 452 . 1 1 88 88 ALA HB2 H 1 .54 . . 1 . . . . . . . . 3442 1 453 . 1 1 88 88 ALA HB3 H 1 .54 . . 1 . . . . . . . . 3442 1 454 . 1 1 89 89 HIS H H 1 7.59 . . 1 . . . . . . . . 3442 1 455 . 1 1 89 89 HIS HA H 1 4.66 . . 1 . . . . . . . . 3442 1 456 . 1 1 89 89 HIS HB2 H 1 3.13 . . 2 . . . . . . . . 3442 1 457 . 1 1 89 89 HIS HB3 H 1 3.09 . . 2 . . . . . . . . 3442 1 458 . 1 1 89 89 HIS HD2 H 1 7.05 . . 1 . . . . . . . . 3442 1 459 . 1 1 89 89 HIS HE1 H 1 8.28 . . 1 . . . . . . . . 3442 1 460 . 1 1 90 90 LYS H H 1 7.12 . . 1 . . . . . . . . 3442 1 461 . 1 1 91 91 LEU H H 1 7.67 . . 1 . . . . . . . . 3442 1 462 . 1 1 91 91 LEU HA H 1 4.06 . . 1 . . . . . . . . 3442 1 463 . 1 1 91 91 LEU HB2 H 1 .86 . . 1 . . . . . . . . 3442 1 464 . 1 1 91 91 LEU HB3 H 1 .86 . . 1 . . . . . . . . 3442 1 465 . 1 1 91 91 LEU HG H 1 .77 . . 1 . . . . . . . . 3442 1 466 . 1 1 91 91 LEU HD11 H 1 .85 . . 2 . . . . . . . . 3442 1 467 . 1 1 91 91 LEU HD12 H 1 .85 . . 2 . . . . . . . . 3442 1 468 . 1 1 91 91 LEU HD13 H 1 .85 . . 2 . . . . . . . . 3442 1 469 . 1 1 91 91 LEU HD21 H 1 1.56 . . 2 . . . . . . . . 3442 1 470 . 1 1 91 91 LEU HD22 H 1 1.56 . . 2 . . . . . . . . 3442 1 471 . 1 1 91 91 LEU HD23 H 1 1.56 . . 2 . . . . . . . . 3442 1 472 . 1 1 92 92 ARG H H 1 6.6 . . 1 . . . . . . . . 3442 1 473 . 1 1 92 92 ARG HA H 1 3.48 . . 1 . . . . . . . . 3442 1 474 . 1 1 92 92 ARG HB2 H 1 1.83 . . 1 . . . . . . . . 3442 1 475 . 1 1 92 92 ARG HB3 H 1 1.83 . . 1 . . . . . . . . 3442 1 476 . 1 1 92 92 ARG HG2 H 1 1.36 . . 2 . . . . . . . . 3442 1 477 . 1 1 92 92 ARG HG3 H 1 1.18 . . 2 . . . . . . . . 3442 1 478 . 1 1 92 92 ARG HD2 H 1 3.1 . . 1 . . . . . . . . 3442 1 479 . 1 1 92 92 ARG HD3 H 1 3.1 . . 1 . . . . . . . . 3442 1 480 . 1 1 92 92 ARG HE H 1 7 . . 1 . . . . . . . . 3442 1 481 . 1 1 93 93 VAL H H 1 7.01 . . 1 . . . . . . . . 3442 1 482 . 1 1 93 93 VAL HA H 1 3.51 . . 1 . . . . . . . . 3442 1 483 . 1 1 93 93 VAL HB H 1 1.04 . . 1 . . . . . . . . 3442 1 484 . 1 1 93 93 VAL HG11 H 1 .27 . . 2 . . . . . . . . 3442 1 485 . 1 1 93 93 VAL HG12 H 1 .27 . . 2 . . . . . . . . 3442 1 486 . 1 1 93 93 VAL HG13 H 1 .27 . . 2 . . . . . . . . 3442 1 487 . 1 1 93 93 VAL HG21 H 1 .02 . . 2 . . . . . . . . 3442 1 488 . 1 1 93 93 VAL HG22 H 1 .02 . . 2 . . . . . . . . 3442 1 489 . 1 1 93 93 VAL HG23 H 1 .02 . . 2 . . . . . . . . 3442 1 490 . 1 1 94 94 ASP H H 1 7.45 . . 1 . . . . . . . . 3442 1 491 . 1 1 94 94 ASP HA H 1 4.51 . . 1 . . . . . . . . 3442 1 492 . 1 1 94 94 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 3442 1 493 . 1 1 94 94 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 3442 1 494 . 1 1 95 95 PRO HA H 1 4.09 . . 1 . . . . . . . . 3442 1 495 . 1 1 95 95 PRO HB2 H 1 1.92 . . 1 . . . . . . . . 3442 1 496 . 1 1 95 95 PRO HB3 H 1 1.92 . . 1 . . . . . . . . 3442 1 497 . 1 1 96 96 VAL H H 1 8.69 . . 1 . . . . . . . . 3442 1 498 . 1 1 96 96 VAL HA H 1 3.94 . . 1 . . . . . . . . 3442 1 499 . 1 1 96 96 VAL HB H 1 2.17 . . 1 . . . . . . . . 3442 1 500 . 1 1 96 96 VAL HG11 H 1 .99 . . 2 . . . . . . . . 3442 1 501 . 1 1 96 96 VAL HG12 H 1 .99 . . 2 . . . . . . . . 3442 1 502 . 1 1 96 96 VAL HG13 H 1 .99 . . 2 . . . . . . . . 3442 1 503 . 1 1 96 96 VAL HG21 H 1 .9 . . 2 . . . . . . . . 3442 1 504 . 1 1 96 96 VAL HG22 H 1 .9 . . 2 . . . . . . . . 3442 1 505 . 1 1 96 96 VAL HG23 H 1 .9 . . 2 . . . . . . . . 3442 1 506 . 1 1 98 98 PHE H H 1 7.85 . . 1 . . . . . . . . 3442 1 507 . 1 1 98 98 PHE HA H 1 4.09 . . 1 . . . . . . . . 3442 1 508 . 1 1 98 98 PHE HB2 H 1 3.69 . . 2 . . . . . . . . 3442 1 509 . 1 1 98 98 PHE HB3 H 1 3.21 . . 2 . . . . . . . . 3442 1 510 . 1 1 98 98 PHE HD1 H 1 7.5 . . 1 . . . . . . . . 3442 1 511 . 1 1 98 98 PHE HD2 H 1 7.5 . . 1 . . . . . . . . 3442 1 512 . 1 1 98 98 PHE HE1 H 1 5.92 . . 1 . . . . . . . . 3442 1 513 . 1 1 98 98 PHE HE2 H 1 5.92 . . 1 . . . . . . . . 3442 1 514 . 1 1 98 98 PHE HZ H 1 5.22 . . 1 . . . . . . . . 3442 1 515 . 1 1 100 100 LEU H H 1 7.43 . . 1 . . . . . . . . 3442 1 516 . 1 1 100 100 LEU HA H 1 3.93 . . 1 . . . . . . . . 3442 1 517 . 1 1 100 100 LEU HB2 H 1 1.98 . . 1 . . . . . . . . 3442 1 518 . 1 1 100 100 LEU HB3 H 1 1.98 . . 1 . . . . . . . . 3442 1 519 . 1 1 100 100 LEU HG H 1 1.75 . . 1 . . . . . . . . 3442 1 520 . 1 1 100 100 LEU HD11 H 1 .64 . . 2 . . . . . . . . 3442 1 521 . 1 1 100 100 LEU HD12 H 1 .64 . . 2 . . . . . . . . 3442 1 522 . 1 1 100 100 LEU HD13 H 1 .64 . . 2 . . . . . . . . 3442 1 523 . 1 1 100 100 LEU HD21 H 1 .04 . . 2 . . . . . . . . 3442 1 524 . 1 1 100 100 LEU HD22 H 1 .04 . . 2 . . . . . . . . 3442 1 525 . 1 1 100 100 LEU HD23 H 1 .04 . . 2 . . . . . . . . 3442 1 526 . 1 1 101 101 LEU HG H 1 1.53 . . 1 . . . . . . . . 3442 1 527 . 1 1 101 101 LEU HD11 H 1 .54 . . 2 . . . . . . . . 3442 1 528 . 1 1 101 101 LEU HD12 H 1 .54 . . 2 . . . . . . . . 3442 1 529 . 1 1 101 101 LEU HD13 H 1 .54 . . 2 . . . . . . . . 3442 1 530 . 1 1 101 101 LEU HD21 H 1 .52 . . 2 . . . . . . . . 3442 1 531 . 1 1 101 101 LEU HD22 H 1 .52 . . 2 . . . . . . . . 3442 1 532 . 1 1 101 101 LEU HD23 H 1 .52 . . 2 . . . . . . . . 3442 1 533 . 1 1 109 109 LEU HG H 1 1.84 . . 1 . . . . . . . . 3442 1 534 . 1 1 109 109 LEU HD11 H 1 .67 . . 1 . . . . . . . . 3442 1 535 . 1 1 109 109 LEU HD12 H 1 .67 . . 1 . . . . . . . . 3442 1 536 . 1 1 109 109 LEU HD13 H 1 .67 . . 1 . . . . . . . . 3442 1 537 . 1 1 109 109 LEU HD21 H 1 .67 . . 1 . . . . . . . . 3442 1 538 . 1 1 109 109 LEU HD22 H 1 .67 . . 1 . . . . . . . . 3442 1 539 . 1 1 109 109 LEU HD23 H 1 .67 . . 1 . . . . . . . . 3442 1 540 . 1 1 112 112 HIS HD2 H 1 7.47 . . 1 . . . . . . . . 3442 1 541 . 1 1 112 112 HIS HE1 H 1 8.49 . . 1 . . . . . . . . 3442 1 542 . 1 1 113 113 LEU HG H 1 1.49 . . 1 . . . . . . . . 3442 1 543 . 1 1 113 113 LEU HD11 H 1 .86 . . 2 . . . . . . . . 3442 1 544 . 1 1 113 113 LEU HD12 H 1 .86 . . 2 . . . . . . . . 3442 1 545 . 1 1 113 113 LEU HD13 H 1 .86 . . 2 . . . . . . . . 3442 1 546 . 1 1 113 113 LEU HD21 H 1 .8 . . 2 . . . . . . . . 3442 1 547 . 1 1 113 113 LEU HD22 H 1 .8 . . 2 . . . . . . . . 3442 1 548 . 1 1 113 113 LEU HD23 H 1 .8 . . 2 . . . . . . . . 3442 1 549 . 1 1 125 125 LEU H H 1 8.72 . . 1 . . . . . . . . 3442 1 550 . 1 1 125 125 LEU HA H 1 4.22 . . 1 . . . . . . . . 3442 1 551 . 1 1 125 125 LEU HB2 H 1 1.82 . . 1 . . . . . . . . 3442 1 552 . 1 1 125 125 LEU HB3 H 1 1.82 . . 1 . . . . . . . . 3442 1 553 . 1 1 125 125 LEU HG H 1 1.84 . . 1 . . . . . . . . 3442 1 554 . 1 1 125 125 LEU HD11 H 1 1.03 . . 2 . . . . . . . . 3442 1 555 . 1 1 125 125 LEU HD12 H 1 1.03 . . 2 . . . . . . . . 3442 1 556 . 1 1 125 125 LEU HD13 H 1 1.03 . . 2 . . . . . . . . 3442 1 557 . 1 1 125 125 LEU HD21 H 1 .9 . . 2 . . . . . . . . 3442 1 558 . 1 1 125 125 LEU HD22 H 1 .9 . . 2 . . . . . . . . 3442 1 559 . 1 1 125 125 LEU HD23 H 1 .9 . . 2 . . . . . . . . 3442 1 560 . 1 1 128 128 PHE H H 1 9.05 . . 1 . . . . . . . . 3442 1 561 . 1 1 128 128 PHE HA H 1 3.78 . . 1 . . . . . . . . 3442 1 562 . 1 1 128 128 PHE HB2 H 1 3.33 . . 2 . . . . . . . . 3442 1 563 . 1 1 128 128 PHE HB3 H 1 3.28 . . 2 . . . . . . . . 3442 1 564 . 1 1 128 128 PHE HD1 H 1 7.03 . . 1 . . . . . . . . 3442 1 565 . 1 1 128 128 PHE HD2 H 1 7.03 . . 1 . . . . . . . . 3442 1 566 . 1 1 128 128 PHE HE1 H 1 6.84 . . 1 . . . . . . . . 3442 1 567 . 1 1 128 128 PHE HE2 H 1 6.84 . . 1 . . . . . . . . 3442 1 568 . 1 1 128 128 PHE HZ H 1 7 . . 1 . . . . . . . . 3442 1 569 . 1 1 129 129 LEU H H 1 9.03 . . 1 . . . . . . . . 3442 1 570 . 1 1 129 129 LEU HA H 1 3.79 . . 1 . . . . . . . . 3442 1 571 . 1 1 129 129 LEU HB2 H 1 1.84 . . 1 . . . . . . . . 3442 1 572 . 1 1 129 129 LEU HB3 H 1 1.84 . . 1 . . . . . . . . 3442 1 573 . 1 1 129 129 LEU HG H 1 2.23 . . 1 . . . . . . . . 3442 1 574 . 1 1 129 129 LEU HD11 H 1 .99 . . 1 . . . . . . . . 3442 1 575 . 1 1 129 129 LEU HD12 H 1 .99 . . 1 . . . . . . . . 3442 1 576 . 1 1 129 129 LEU HD13 H 1 .99 . . 1 . . . . . . . . 3442 1 577 . 1 1 129 129 LEU HD21 H 1 .99 . . 1 . . . . . . . . 3442 1 578 . 1 1 129 129 LEU HD22 H 1 .99 . . 1 . . . . . . . . 3442 1 579 . 1 1 129 129 LEU HD23 H 1 .99 . . 1 . . . . . . . . 3442 1 580 . 1 1 130 130 ALA H H 1 8.21 . . 1 . . . . . . . . 3442 1 581 . 1 1 130 130 ALA HA H 1 4.25 . . 1 . . . . . . . . 3442 1 582 . 1 1 130 130 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 3442 1 583 . 1 1 130 130 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 3442 1 584 . 1 1 130 130 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 3442 1 585 . 1 1 131 131 SER H H 1 8.08 . . 1 . . . . . . . . 3442 1 586 . 1 1 131 131 SER HA H 1 4.15 . . 1 . . . . . . . . 3442 1 587 . 1 1 131 131 SER HB2 H 1 3.92 . . 2 . . . . . . . . 3442 1 588 . 1 1 131 131 SER HB3 H 1 3.81 . . 2 . . . . . . . . 3442 1 589 . 1 1 132 132 VAL H H 1 8.21 . . 1 . . . . . . . . 3442 1 590 . 1 1 132 132 VAL HA H 1 3.24 . . 1 . . . . . . . . 3442 1 591 . 1 1 132 132 VAL HB H 1 1.97 . . 1 . . . . . . . . 3442 1 592 . 1 1 132 132 VAL HG11 H 1 .84 . . 2 . . . . . . . . 3442 1 593 . 1 1 132 132 VAL HG12 H 1 .84 . . 2 . . . . . . . . 3442 1 594 . 1 1 132 132 VAL HG13 H 1 .84 . . 2 . . . . . . . . 3442 1 595 . 1 1 132 132 VAL HG21 H 1 .34 . . 2 . . . . . . . . 3442 1 596 . 1 1 132 132 VAL HG22 H 1 .34 . . 2 . . . . . . . . 3442 1 597 . 1 1 132 132 VAL HG23 H 1 .34 . . 2 . . . . . . . . 3442 1 598 . 1 1 133 133 SER H H 1 7.42 . . 1 . . . . . . . . 3442 1 599 . 1 1 133 133 SER HA H 1 4.32 . . 1 . . . . . . . . 3442 1 600 . 1 1 133 133 SER HB2 H 1 3.82 . . 1 . . . . . . . . 3442 1 601 . 1 1 133 133 SER HB3 H 1 3.82 . . 1 . . . . . . . . 3442 1 602 . 1 1 134 134 THR H H 1 8.12 . . 1 . . . . . . . . 3442 1 603 . 1 1 134 134 THR HA H 1 3.55 . . 1 . . . . . . . . 3442 1 604 . 1 1 134 134 THR HB H 1 4.22 . . 1 . . . . . . . . 3442 1 605 . 1 1 134 134 THR HG21 H 1 1.08 . . 1 . . . . . . . . 3442 1 606 . 1 1 134 134 THR HG22 H 1 1.08 . . 1 . . . . . . . . 3442 1 607 . 1 1 134 134 THR HG23 H 1 1.08 . . 1 . . . . . . . . 3442 1 608 . 1 1 135 135 VAL H H 1 7.69 . . 1 . . . . . . . . 3442 1 609 . 1 1 135 135 VAL HA H 1 3.5 . . 1 . . . . . . . . 3442 1 610 . 1 1 135 135 VAL HB H 1 1.96 . . 1 . . . . . . . . 3442 1 611 . 1 1 135 135 VAL HG11 H 1 .85 . . 2 . . . . . . . . 3442 1 612 . 1 1 135 135 VAL HG12 H 1 .85 . . 2 . . . . . . . . 3442 1 613 . 1 1 135 135 VAL HG13 H 1 .85 . . 2 . . . . . . . . 3442 1 614 . 1 1 135 135 VAL HG21 H 1 .68 . . 2 . . . . . . . . 3442 1 615 . 1 1 135 135 VAL HG22 H 1 .68 . . 2 . . . . . . . . 3442 1 616 . 1 1 135 135 VAL HG23 H 1 .68 . . 2 . . . . . . . . 3442 1 617 . 1 1 136 136 LEU H H 1 7.97 . . 1 . . . . . . . . 3442 1 618 . 1 1 136 136 LEU HA H 1 3.3 . . 1 . . . . . . . . 3442 1 619 . 1 1 136 136 LEU HB2 H 1 .86 . . 2 . . . . . . . . 3442 1 620 . 1 1 136 136 LEU HB3 H 1 .09 . . 2 . . . . . . . . 3442 1 621 . 1 1 136 136 LEU HG H 1 1.04 . . 1 . . . . . . . . 3442 1 622 . 1 1 136 136 LEU HD11 H 1 .21 . . 2 . . . . . . . . 3442 1 623 . 1 1 136 136 LEU HD12 H 1 .21 . . 2 . . . . . . . . 3442 1 624 . 1 1 136 136 LEU HD13 H 1 .21 . . 2 . . . . . . . . 3442 1 625 . 1 1 136 136 LEU HD21 H 1 .48 . . 2 . . . . . . . . 3442 1 626 . 1 1 136 136 LEU HD22 H 1 .48 . . 2 . . . . . . . . 3442 1 627 . 1 1 136 136 LEU HD23 H 1 .48 . . 2 . . . . . . . . 3442 1 628 . 1 1 137 137 THR H H 1 6.92 . . 1 . . . . . . . . 3442 1 629 . 1 1 137 137 THR HA H 1 4.05 . . 1 . . . . . . . . 3442 1 630 . 1 1 137 137 THR HB H 1 3.98 . . 1 . . . . . . . . 3442 1 631 . 1 1 137 137 THR HG21 H 1 .44 . . 1 . . . . . . . . 3442 1 632 . 1 1 137 137 THR HG22 H 1 .44 . . 1 . . . . . . . . 3442 1 633 . 1 1 137 137 THR HG23 H 1 .44 . . 1 . . . . . . . . 3442 1 634 . 1 1 140 140 TYR H H 1 7.65 . . 1 . . . . . . . . 3442 1 635 . 1 1 140 140 TYR HA H 1 4.1 . . 1 . . . . . . . . 3442 1 636 . 1 1 140 140 TYR HB2 H 1 2.88 . . 2 . . . . . . . . 3442 1 637 . 1 1 140 140 TYR HB3 H 1 2.86 . . 2 . . . . . . . . 3442 1 638 . 1 1 140 140 TYR HD1 H 1 6.6 . . 1 . . . . . . . . 3442 1 639 . 1 1 140 140 TYR HD2 H 1 6.6 . . 1 . . . . . . . . 3442 1 640 . 1 1 140 140 TYR HE1 H 1 6.93 . . 1 . . . . . . . . 3442 1 641 . 1 1 140 140 TYR HE2 H 1 6.93 . . 1 . . . . . . . . 3442 1 642 . 1 1 141 141 ARG H H 1 7.5 . . 1 . . . . . . . . 3442 1 643 . 1 1 141 141 ARG HA H 1 4.05 . . 1 . . . . . . . . 3442 1 644 . 1 1 141 141 ARG HB2 H 1 1.73 . . 2 . . . . . . . . 3442 1 645 . 1 1 141 141 ARG HB3 H 1 1.6 . . 2 . . . . . . . . 3442 1 646 . 1 1 141 141 ARG HG2 H 1 1.46 . . 1 . . . . . . . . 3442 1 647 . 1 1 141 141 ARG HG3 H 1 1.46 . . 1 . . . . . . . . 3442 1 stop_ save_