data_16891 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N Chemical Shift Assignments for the free alpha chain of human haemoglobin ; _BMRB_accession_number 16891 _BMRB_flat_file_name bmr16891.str _Entry_type original _Submission_date 2010-04-22 _Accession_date 2010-04-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gell David A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 113 "13C chemical shifts" 219 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-26 original author . stop_ _Original_release_date 2010-04-26 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assigned chemical shifts for the free alpha chain of haemoglobin' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dickson Claire F. . 2 KrishnaKumar Kaavya . . 3 Mackay Joel P. . 4 Gell david A . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'alpha haemoglobin in monomer-dimer equilibrium' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'alpha globin polypeptide, 1' $HBA1 'alpha globin polypeptide, 2' $HBA1 'haem, 1' $HEM 'haem, 2' $HEM stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'alpha globin polypeptide, 1' 1 'alpha globin polypeptide, 2' 2 'haem, 1' 2 'haem, 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HBA1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HBA1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'binds to the beta chain of haemoglobin to form the functional haemoglobin that performs oxygen transport in human blood' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; VLSPADKTNVKAAWGKVGAH AGEYGAEALERMFLSFPTTK TYFPHFDLSHGSAQVKGHGK KVADALTNAVAHVDDMPNAL SALSDLHAHKLRVDPVNFKL LSHCLLVTLAAHLPAEFTPA VHASLDKFLASVSTVLTSKY R ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 LEU 3 SER 4 PRO 5 ALA 6 ASP 7 LYS 8 THR 9 ASN 10 VAL 11 LYS 12 ALA 13 ALA 14 TRP 15 GLY 16 LYS 17 VAL 18 GLY 19 ALA 20 HIS 21 ALA 22 GLY 23 GLU 24 TYR 25 GLY 26 ALA 27 GLU 28 ALA 29 LEU 30 GLU 31 ARG 32 MET 33 PHE 34 LEU 35 SER 36 PHE 37 PRO 38 THR 39 THR 40 LYS 41 THR 42 TYR 43 PHE 44 PRO 45 HIS 46 PHE 47 ASP 48 LEU 49 SER 50 HIS 51 GLY 52 SER 53 ALA 54 GLN 55 VAL 56 LYS 57 GLY 58 HIS 59 GLY 60 LYS 61 LYS 62 VAL 63 ALA 64 ASP 65 ALA 66 LEU 67 THR 68 ASN 69 ALA 70 VAL 71 ALA 72 HIS 73 VAL 74 ASP 75 ASP 76 MET 77 PRO 78 ASN 79 ALA 80 LEU 81 SER 82 ALA 83 LEU 84 SER 85 ASP 86 LEU 87 HIS 88 ALA 89 HIS 90 LYS 91 LEU 92 ARG 93 VAL 94 ASP 95 PRO 96 VAL 97 ASN 98 PHE 99 LYS 100 LEU 101 LEU 102 SER 103 HIS 104 CYS 105 LEU 106 LEU 107 VAL 108 THR 109 LEU 110 ALA 111 ALA 112 HIS 113 LEU 114 PRO 115 ALA 116 GLU 117 PHE 118 THR 119 PRO 120 ALA 121 VAL 122 HIS 123 ALA 124 SER 125 LEU 126 ASP 127 LYS 128 PHE 129 LEU 130 ALA 131 SER 132 VAL 133 SER 134 THR 135 VAL 136 LEU 137 THR 138 SER 139 LYS 140 TYR 141 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 1101 "hemoglobin A alpha chain" 100.00 141 100.00 100.00 4.35e-95 BMRB 16898 HBA1 100.00 141 100.00 100.00 4.35e-95 BMRB 25 "hemoglobin A alpha chain" 100.00 141 100.00 100.00 4.35e-95 BMRB 2707 "hemoglobin A alpha chain" 100.00 141 100.00 100.00 4.35e-95 BMRB 2709 "hemoglobin A alpha chain" 100.00 141 100.00 100.00 4.35e-95 BMRB 2868 "hemoglobin A alpha chain" 100.00 141 100.00 100.00 4.35e-95 BMRB 3442 "hemoglobin A alpha chain" 100.00 141 100.00 100.00 4.35e-95 PDB 1A00 "Hemoglobin (Val Beta1 Met, Trp Beta37 Tyr) Mutant" 100.00 141 100.00 100.00 4.35e-95 PDB 1A01 "Hemoglobin (Val Beta1 Met, Trp Beta37 Ala) Mutant" 100.00 141 100.00 100.00 4.35e-95 PDB 1A0U "Hemoglobin (Val Beta1 Met) Mutant" 100.00 141 100.00 100.00 4.35e-95 PDB 1A0Z "Hemoglobin (Val Beta1 Met) Mutant" 100.00 141 100.00 100.00 4.35e-95 PDB 1A3N "Deoxy Human Hemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 1A3O "Artificial Mutant (Alpha Y42h) Of Deoxy Hemoglobin" 100.00 141 99.29 100.00 4.26e-94 PDB 1A9W "Human Embryonic Gower Ii Carbonmonoxy Hemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 1ABW "Deoxy Rhb1.1 (Recombinant Hemoglobin)" 100.00 283 99.29 100.00 1.68e-92 PDB 1ABY "Cyanomet Rhb1.1 (Recombinant Hemoglobin)" 100.00 283 99.29 100.00 1.68e-92 PDB 1AJ9 "R-State Human Carbonmonoxyhemoglobin Alpha-A53s" 100.00 141 99.29 100.00 1.09e-94 PDB 1B86 "Human Deoxyhaemoglobin-2,3-Diphosphoglycerate Complex" 100.00 141 100.00 100.00 4.35e-95 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 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 PDB 1BIJ "Crosslinked, Deoxy Human Hemoglobin A" 100.00 141 100.00 100.00 4.35e-95 PDB 1BUW "Crystal Structure Of S-Nitroso-Nitrosyl Human Hemoglobin A" 100.00 141 100.00 100.00 4.35e-95 PDB 1BZ0 "Hemoglobin A (Human, Deoxy, High Salt)" 100.00 141 100.00 100.00 4.35e-95 PDB 1BZ1 "Hemoglobin (Alpha + Met) Variant" 100.00 142 100.00 100.00 4.44e-95 PDB 1BZZ "Hemoglobin (Alpha V1m) Mutant" 100.00 141 99.29 100.00 1.21e-94 PDB 1C7B "Deoxy Rhb1.0 (Recombinant Hemoglobin)" 100.00 141 99.29 100.00 1.21e-94 PDB 1C7C "Deoxy Rhb1.1 (Recombinant Hemoglobin)" 100.00 283 99.29 100.00 1.68e-92 PDB 1C7D "Deoxy Rhb1.2 (Recombinant Hemoglobin)" 100.00 284 99.29 100.00 1.96e-92 PDB 1CLS "Cross-Linked Human Hemoglobin Deoxy" 100.00 141 100.00 100.00 4.35e-95 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 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 PDB 1DKE "Ni Beta Heme Human Hemoglobin" 100.00 141 100.00 100.00 4.35e-95 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 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 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 PDB 1FDH "Structure Of Human Foetal Deoxyhaemoglobin" 100.00 141 100.00 100.00 4.35e-95 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 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 PDB 1GBU "Deoxy (Beta-(C93a,C112g)) Human Hemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 1GBV "(Alpha-Oxy, Beta-(C112g)deoxy) T-State Human Hemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 1GLI "Deoxyhemoglobin T38w (alpha Chains), V1g (alpha And Beta Chains)" 100.00 141 98.58 99.29 1.56e-93 PDB 1GZX "Oxy T State Haemoglobin: Oxygen Bound At All Four Haems" 100.00 141 100.00 100.00 4.35e-95 PDB 1HAB "Crosslinked Haemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 1HAC "Crosslinked Haemoglobin" 100.00 141 100.00 100.00 4.35e-95 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 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 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 PDB 1HCO "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" 100.00 141 100.00 100.00 4.35e-95 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 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 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 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 PDB 1HHO "Structure Of Human Oxyhaemoglobin At 2.1 Angstroms Resolution" 100.00 141 100.00 100.00 4.35e-95 PDB 1IRD "Crystal Structure Of Human Carbonmonoxy-Haemoglobin At 1.25 A Resolution" 100.00 141 100.00 100.00 4.35e-95 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 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 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 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 PDB 1J7S "Crystal Structure Of Deoxy Hbalphayq, A Mutant Of Hba" 100.00 141 97.87 98.58 3.18e-93 PDB 1J7W "Crystal Structure Of Deoxy Hbbetayq, A Site Directed Mutant Of Hba" 100.00 141 99.29 100.00 1.21e-94 PDB 1J7Y "Crystal Structure Of Partially Ligated Mutant Of Hba" 100.00 141 97.87 98.58 3.18e-93 PDB 1JY7 "The Structure Of Human Methemoglobin. The Variation Of A Theme" 100.00 141 100.00 100.00 4.35e-95 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 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 PDB 1KD2 "Crystal Structure Of Human Deoxyhemoglobin In Absence Of Any Anions" 100.00 141 100.00 100.00 4.35e-95 PDB 1LFL "Deoxy Hemoglobin (90% Relative Humidity)" 100.00 141 100.00 100.00 4.35e-95 PDB 1LFQ "Oxy Hemoglobin (93% Relative Humidity)" 100.00 141 100.00 100.00 4.35e-95 PDB 1LFT "Oxy Hemoglobin (90% Relative Humidity)" 100.00 141 100.00 100.00 4.35e-95 PDB 1LFV "Oxy Hemoglobin (88% Relative Humidity)" 100.00 141 100.00 100.00 4.35e-95 PDB 1LFY "Oxy Hemoglobin (84% Relative Humidity)" 100.00 141 100.00 100.00 4.35e-95 PDB 1LFZ "Oxy Hemoglobin (25% Methanol)" 100.00 141 100.00 100.00 4.35e-95 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 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 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 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 PDB 1NIH "Structure Of Deoxy-Quaternary Haemoglobin With Liganded Beta Subunits" 100.00 141 100.00 100.00 4.35e-95 PDB 1NQP "Crystal Structure Of Human Hemoglobin E At 1.73 A Resolution" 100.00 141 100.00 100.00 4.35e-95 PDB 1O1I "Cyanomet Hemoglobin (a-gly-c:v1m,l29f,h58q; B,d:v1m,l106w)" 100.00 141 97.87 98.58 2.79e-93 PDB 1O1J "Deoxy Hemoglobin (a-gly-c:v1m,l29f,h58q; B,d:v1m,l106w)" 100.00 283 97.87 98.58 3.08e-91 PDB 1O1K "Deoxy Hemoglobin (A,C:v1m; B,D:v1m,V67w)" 100.00 141 99.29 100.00 1.21e-94 PDB 1O1L "Deoxy Hemoglobin (A-Gly-C:v1m,L29w,H58q; B,D:v1m)" 100.00 283 97.87 98.58 6.81e-91 PDB 1O1M "Deoxy Hemoglobin (a-glyglygly-c:v1m,l29f,h58q B,d:v1m,v67w)" 100.00 285 97.87 98.58 3.70e-91 PDB 1O1N "Deoxy Hemoglobin (A-Glyglygly-C:v1m,L29w; B,D:v1m)" 100.00 285 98.58 99.29 1.43e-91 PDB 1O1O "Deoxy Hemoglobin (A,C:v1m,V62l; B,D:v1m,V67l)" 100.00 141 98.58 100.00 3.90e-94 PDB 1O1P "Deoxy Hemoglobin (A-Gly-C:v1m; B,D:v1m,C93a,N108k)" 100.00 283 99.29 100.00 1.68e-92 PDB 1QI8 "Deoxygenated Structure Of A Distal Pocket Hemoglobin Mutant" 100.00 141 97.87 98.58 3.18e-93 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 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 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 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 PDB 1R1X "Crystal Structure Of Oxy-Human Hemoglobin Bassett At 2.15 Angstrom" 100.00 141 99.29 99.29 6.89e-94 PDB 1R1Y "Crystal Structure Of Deoxy-Human Hemoglobin Bassett At 1.8 Angstrom" 100.00 141 99.29 99.29 6.89e-94 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 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 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 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 PDB 1RVW "R State Human Hemoglobin [alpha V96w], Carbonmonoxy" 100.00 141 99.29 99.29 6.11e-94 PDB 1SDK "Cross-linked, Carbonmonoxy Hemoglobin A" 100.00 141 100.00 100.00 4.35e-95 PDB 1SDL "Cross-Linked, Carbonmonoxy Hemoglobin A" 100.00 141 100.00 100.00 4.35e-95 PDB 1SHR "Crystal Structure Of Ferrocyanide Bound Human Hemoglobin A2 At 1.88a Resolution" 100.00 141 100.00 100.00 4.35e-95 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 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 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 PDB 1VWT "T State Human Hemoglobin [alpha V96w], Alpha Aquomet, Beta Deoxy" 100.00 141 99.29 99.29 6.11e-94 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 PDB 1XY0 "T-To-Thigh Transitions In Human Hemoglobin: Alphak40g Deoxy Low-Salt" 100.00 141 98.58 99.29 1.02e-93 PDB 1XYE "T-to-thigh Transitions In Human Hemoglobin: Alpha Y42a Deoxy Low Salt" 100.00 141 98.58 99.29 2.94e-93 PDB 1XZ2 "Wild-Type Hemoglobin Deoxy No-Salt" 100.00 141 100.00 100.00 4.35e-95 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 PDB 1XZ5 "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphal91a Deoxy Low-Salt" 100.00 141 98.58 99.29 7.20e-94 PDB 1XZ7 "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphar92a Deoxy Low-Salt" 100.00 141 98.58 99.29 1.84e-93 PDB 1XZU "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphad94g Deoxy Low-Salt" 100.00 141 98.58 99.29 1.40e-93 PDB 1XZV "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphap95a Deoxy Low-Salt" 100.00 141 98.58 99.29 1.74e-93 PDB 1Y01 "Crystal Structure Of Ahsp Bound To Fe(Ii) Alpha-Hemoglobin" 100.00 142 100.00 100.00 4.44e-95 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 PDB 1Y0A "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140a Deoxy Low-Salt" 100.00 141 98.58 99.29 2.94e-93 PDB 1Y0C "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140f Deoxy Low-Salt" 100.00 141 98.58 100.00 4.96e-94 PDB 1Y0D "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Desarg141alpha Deoxy Low-Salt" 99.29 140 100.00 100.00 4.40e-94 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 PDB 1YZI "A Novel Quaternary Structure Of Human Carbonmonoxy Hemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 1Z8U "Crystal Structure Of Oxidized Alpha Hemoglobin Bound To Ahsp" 100.00 142 100.00 100.00 4.44e-95 PDB 2D5Z "Crystal Structure Of T-State Human Hemoglobin Complexed With Three L35 Molecules" 100.00 141 100.00 100.00 4.35e-95 PDB 2D60 "Crystal Structure Of Deoxy Human Hemoglobin Complexed With Two L35 Molecules" 100.00 141 100.00 100.00 4.35e-95 PDB 2DN1 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Oxy Form" 100.00 141 100.00 100.00 4.35e-95 PDB 2DN2 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Deoxy Form" 100.00 141 100.00 100.00 4.35e-95 PDB 2DN3 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Carbonmonoxy Form" 100.00 141 100.00 100.00 4.35e-95 PDB 2DXM "Neutron Structure Analysis Of Deoxy Human Hemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 2H35 "Solution Structure Of Human Normal Adult Hemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 2HBC "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" 100.00 141 100.00 100.00 4.35e-95 PDB 2HBD "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 141 100.00 100.00 4.35e-95 PDB 2HBE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 141 100.00 100.00 4.35e-95 PDB 2HBF "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 141 100.00 100.00 4.35e-95 PDB 2HBS "The High Resolution Crystal Structure Of Deoxyhemoglobin S" 100.00 141 100.00 100.00 4.35e-95 PDB 2HCO "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" 100.00 141 100.00 100.00 4.35e-95 PDB 2HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 100.00 141 100.00 100.00 4.35e-95 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 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 PDB 2M6Z "Refined Solution Structure Of Human Adult Hemoglobin In The Carbonmonoxy Form" 100.00 141 100.00 100.00 4.35e-95 PDB 2W6V "Structure Of Human Deoxy Hemoglobin A In Complex With Xenon" 100.00 141 100.00 100.00 4.35e-95 PDB 2W72 "Deoxygenated Structure Of A Distal Site Hemoglobin Mutant Plus Xe" 100.00 141 98.58 98.58 1.26e-93 PDB 2YRS "Human Hemoglobin D Los Angeles: Crystal Structure" 100.00 141 100.00 100.00 4.35e-95 PDB 3B75 "Crystal Structure Of Glycated Human Haemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 3D17 "A Triply Ligated Crystal Structure Of Relaxed State Human Hemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 3D7O "Human Hemoglobin, Nitrogen Dioxide Anion Modified" 100.00 141 100.00 100.00 4.35e-95 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 PDB 3HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 100.00 141 100.00 100.00 4.35e-95 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 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 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 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 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 PDB 3NL7 "Human Hemoglobin A Mutant Beta H63w Carbonmonoxy-Form" 100.00 141 100.00 100.00 4.35e-95 PDB 3NMM "Human Hemoglobin A Mutant Alpha H58w Deoxy-Form" 100.00 141 99.29 99.29 8.67e-94 PDB 3ODQ "Structure Of A Crystal Form Of Human Methemoglobin Indicative Of Fiber Formation" 100.00 141 100.00 100.00 4.35e-95 PDB 3ONZ "Human Tetrameric Hemoglobin: Proximal Nitrite Ligand At Beta" 100.00 141 100.00 100.00 4.35e-95 PDB 3OO4 "R-State Human Hemoglobin: Nitriheme Modified At Alpha" 100.00 141 100.00 100.00 4.35e-95 PDB 3OO5 "R-State Human Hemoglobin: Nitriheme Modified" 100.00 141 100.00 100.00 4.35e-95 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 PDB 3P5Q "Ferric R-State Human Aquomethemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 3QJB "Human Hemoglobin A Mutant Alpha H58l Carbonmonoxy-Form" 100.00 141 99.29 99.29 1.15e-93 PDB 3QJC "Human Hemoglobin A Mutant Beta H63l Carbonmonoxy-Form" 100.00 141 100.00 100.00 4.35e-95 PDB 3QJD "Human Hemoglobin A Mutant Alpha H58l Deoxy-Form" 100.00 141 99.29 99.29 1.15e-93 PDB 3QJE "Human Hemoglobin A Mutant Beta H63l Deoxy-Form" 100.00 141 100.00 100.00 4.35e-95 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 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 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 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 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 PDB 3WCP "Deoxyhemoglobin Sh-drug Complex" 100.00 141 100.00 100.00 4.35e-95 PDB 3WHM "Structure Of Hemoglobin Complex With 18-crown-6" 100.00 141 100.00 100.00 4.35e-95 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 PDB 4HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 100.00 141 100.00 100.00 4.35e-95 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 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 PDB 4M4A "Human Hemoglobin Nitromethane Modified" 100.00 141 100.00 100.00 4.35e-95 PDB 4M4B "Human Hemoglobin Nitroethane Modified" 100.00 141 100.00 100.00 4.35e-95 PDB 4MQC "Carbonmonoxy Structure Of Hemoglobin Evans Alphav62mbetawt" 100.00 141 99.29 100.00 1.21e-94 PDB 4MQG "Structure Of Carbonmonoxy Adult Hemoglobin Bristol-alesha Alphawtbetav67m" 100.00 141 100.00 100.00 4.35e-95 PDB 4MQH "Structure Of Aquomet Hemoglobin Evans Alphav62mbetawt" 98.58 139 99.28 100.00 1.53e-92 PDB 4MQI "Structure Of Aquomet Hemoglobin Bristol-alesha Alphawtbetav67m" 99.29 140 100.00 100.00 4.40e-94 PDB 4MQJ "Structure Of Wild-type Fetal Human Hemoglobin Hbf" 100.00 141 100.00 100.00 4.35e-95 PDB 4MQK "Carbonmonoxy Structure Of The Human Fetal Hemoglobin Mutant Hbf Toms River Alphawtgammav67m" 100.00 141 100.00 100.00 4.35e-95 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 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 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 PDB 4N8T "Human Hemoglobin Nitric Oxide Adduct" 100.00 141 100.00 100.00 4.35e-95 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 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 PDB 4ROL "Deoxyhemoglobin In Complex With Imidazolylacryloyl Derivatives" 100.00 141 100.00 100.00 4.35e-95 PDB 4ROM "Deoxyhemoglobin In Complex With Imidazolylacryloyl Derivatives" 100.00 141 100.00 100.00 4.35e-95 PDB 4WJG "Structure Of T. Brucei Haptoglobin-hemoglobin Receptor Binding To Human Haptoglobin-hemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 4X0I "Trypanosoma Brucei Haptoglobin-haemoglobin Receptor In Complex With Human Haptoglobin-haemoglobin" 100.00 141 100.00 100.00 4.35e-95 PDB 4X0L "Human Haptoglobin-haemoglobin Complex" 100.00 141 100.00 100.00 4.35e-95 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 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 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 PDB 6HBW "Crystal Structure Of Deoxy-human Hemoglobin Beta6 Glu->trp" 100.00 141 100.00 100.00 4.35e-95 DBJ BAD97112 "alpha 2 globin variant [Homo sapiens]" 100.00 142 99.29 100.00 4.22e-94 DBJ BAJ20323 "hemoglobin, alpha 1 [synthetic construct]" 100.00 142 100.00 100.00 4.44e-95 EMBL CAA23748 "alpha globin [Homo sapiens]" 100.00 142 100.00 100.00 4.44e-95 EMBL CAA23750 "alpha 1 globin [Homo sapiens]" 100.00 141 100.00 100.00 4.35e-95 EMBL CAA23751 "unnamed protein product [Homo sapiens]" 60.28 85 100.00 100.00 2.96e-50 EMBL CAA23752 "hemoglobin alpha chain [Homo sapiens]" 100.00 142 100.00 100.00 4.44e-95 EMBL CAA23774 "alpha-2-globin [Homo sapiens]" 100.00 141 100.00 100.00 4.35e-95 GB AAA52632 "pseudo-a-thal, partial [Homo sapiens]" 60.28 85 100.00 100.00 2.96e-50 GB AAA66030 "alpha-2 globin [Pongo pygmaeus]" 100.00 142 97.87 98.58 9.90e-93 GB AAA66031 "alpha-2 globin [Pongo pygmaeus]" 100.00 142 97.87 98.58 9.90e-93 GB AAB59407 "hemoglobin alpha 2 [Homo sapiens]" 100.00 142 100.00 100.00 4.44e-95 GB AAB59408 "hemoglobin alpha 1 [Homo sapiens]" 100.00 142 100.00 100.00 4.44e-95 PRF 0404170A "hemoglobin alphaI" 100.00 141 97.87 98.58 1.03e-92 PRF 0907233A "hemoglobin alpha" 100.00 141 100.00 100.00 4.35e-95 PRF 1004272B "hemoglobin alpha" 100.00 141 97.16 99.29 2.37e-92 PRF 1509322A "hemoglobin alpha" 100.00 141 97.16 97.16 8.42e-92 PRF 610524A "hemoglobin alpha" 100.00 141 99.29 100.00 1.86e-94 REF NP_000508 "hemoglobin subunit alpha [Homo sapiens]" 100.00 142 100.00 100.00 4.44e-95 REF NP_000549 "hemoglobin subunit alpha [Homo sapiens]" 100.00 142 100.00 100.00 4.44e-95 REF NP_001036091 "hemoglobin subunit alpha [Pan troglodytes]" 100.00 142 100.00 100.00 4.44e-95 REF NP_001036092 "hemoglobin subunit alpha [Pan troglodytes]" 100.00 142 100.00 100.00 4.44e-95 REF NP_001125901 "hemoglobin subunit alpha [Pongo abelii]" 100.00 142 100.00 100.00 4.44e-95 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 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 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 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 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 stop_ save_ ############# # Ligands # ############# save_HEM _Saveframe_category ligand _Mol_type non-polymer _Name_common "HEM (PROTOPORPHYRIN IX CONTAINING FE)" _BMRB_code . _PDB_code HEM _Molecular_mass 616.487 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:29:58 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1A C1A C . 0 . ? C1B C1B C . 0 . ? C1C C1C C . 0 . ? C1D C1D C . 0 . ? C2A C2A C . 0 . ? C2B C2B C . 0 . ? C2C C2C C . 0 . ? C2D C2D C . 0 . ? C3A C3A C . 0 . ? C3B C3B C . 0 . ? C3C C3C C . 0 . ? C3D C3D C . 0 . ? C4A C4A C . 0 . ? C4B C4B C . 0 . ? C4C C4C C . 0 . ? C4D C4D C . 0 . ? CAA CAA C . 0 . ? CAB CAB C . 0 . ? CAC CAC C . 0 . ? CAD CAD C . 0 . ? CBA CBA C . 0 . ? CBB CBB C . 0 . ? CBC CBC C . 0 . ? CBD CBD C . 0 . ? CGA CGA C . 0 . ? CGD CGD C . 0 . ? CHA CHA C . 0 . ? CHB CHB C . 0 . ? CHC CHC C . 0 . ? CHD CHD C . 0 . ? CMA CMA C . 0 . ? CMB CMB C . 0 . ? CMC CMC C . 0 . ? CMD CMD C . 0 . ? FE FE FE . 0 . ? H2A H2A H . 0 . ? H2D H2D H . 0 . ? HAA1 HAA1 H . 0 . ? HAA2 HAA2 H . 0 . ? HAB HAB H . 0 . ? HAC HAC H . 0 . ? HAD1 HAD1 H . 0 . ? HAD2 HAD2 H . 0 . ? HBA1 HBA1 H . 0 . ? HBA2 HBA2 H . 0 . ? HBB1 HBB1 H . 0 . ? HBB2 HBB2 H . 0 . ? HBC1 HBC1 H . 0 . ? HBC2 HBC2 H . 0 . ? HBD1 HBD1 H . 0 . ? HBD2 HBD2 H . 0 . ? HHA HHA H . 0 . ? HHB HHB H . 0 . ? HHC HHC H . 0 . ? HHD HHD H . 0 . ? HMA1 HMA1 H . 0 . ? HMA2 HMA2 H . 0 . ? HMA3 HMA3 H . 0 . ? HMB1 HMB1 H . 0 . ? HMB2 HMB2 H . 0 . ? HMB3 HMB3 H . 0 . ? HMC1 HMC1 H . 0 . ? HMC2 HMC2 H . 0 . ? HMC3 HMC3 H . 0 . ? HMD1 HMD1 H . 0 . ? HMD2 HMD2 H . 0 . ? HMD3 HMD3 H . 0 . ? NA NA N . 0 . ? NB NB N . 0 . ? NC NC N . 0 . ? ND ND N . 0 . ? O1A O1A O . 0 . ? O1D O1D O . 0 . ? O2A O2A O . 0 . ? O2D O2D O . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING FE NA ? ? SING FE NB ? ? SING FE NC ? ? SING FE ND ? ? DOUB CHA C1A ? ? SING CHA C4D ? ? SING CHA HHA ? ? DOUB CHB C4A ? ? SING CHB C1B ? ? SING CHB HHB ? ? DOUB CHC C4B ? ? SING CHC C1C ? ? SING CHC HHC ? ? SING CHD C4C ? ? DOUB CHD C1D ? ? SING CHD HHD ? ? SING NA C1A ? ? SING NA C4A ? ? SING C1A C2A ? ? DOUB C2A C3A ? ? SING C2A CAA ? ? SING C3A C4A ? ? SING C3A CMA ? ? SING CMA HMA1 ? ? SING CMA HMA2 ? ? SING CMA HMA3 ? ? SING CAA CBA ? ? SING CAA HAA1 ? ? SING CAA HAA2 ? ? SING CBA CGA ? ? SING CBA HBA1 ? ? SING CBA HBA2 ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING O2A H2A ? ? DOUB NB C1B ? ? SING NB C4B ? ? SING C1B C2B ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B CAB ? ? SING CMB HMB1 ? ? SING CMB HMB2 ? ? SING CMB HMB3 ? ? DOUB CAB CBB ? ? SING CAB HAB ? ? SING CBB HBB1 ? ? SING CBB HBB2 ? ? SING NC C1C ? ? SING NC C4C ? ? DOUB C1C C2C ? ? SING C2C C3C ? ? SING C2C CMC ? ? DOUB C3C C4C ? ? SING C3C CAC ? ? SING CMC HMC1 ? ? SING CMC HMC2 ? ? SING CMC HMC3 ? ? DOUB CAC CBC ? ? SING CAC HAC ? ? SING CBC HBC1 ? ? SING CBC HBC2 ? ? SING ND C1D ? ? DOUB ND C4D ? ? SING C1D C2D ? ? DOUB C2D C3D ? ? SING C2D CMD ? ? SING C3D C4D ? ? SING C3D CAD ? ? SING CMD HMD1 ? ? SING CMD HMD2 ? ? SING CMD HMD3 ? ? SING CAD CBD ? ? SING CAD HAD1 ? ? SING CAD HAD2 ? ? SING CBD CGD ? ? SING CBD HBD1 ? ? SING CBD HBD2 ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2D H2D ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HBA1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HBA1 'recombinant technology' . Escherichia coli . pHE7 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HBA1 . mM 0.6 0.9 '[U-98% 13C; U-98% 15N]' $HEM . mM 0.6 0.9 'natural abundance' DSS 40 uM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7.0 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha globin polypeptide, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 SER H H 9.827 0.005 1 2 3 3 SER N N 123.302 0.002 1 3 5 5 ALA CA C 55.191 0.056 1 4 5 5 ALA CB C 17.954 0.042 1 5 6 6 ASP H H 8.171 0.004 1 6 6 6 ASP CA C 57.606 0.012 1 7 6 6 ASP CB C 41.801 0.003 1 8 6 6 ASP N N 118.241 0.074 1 9 7 7 LYS H H 8.298 0.002 1 10 7 7 LYS CA C 61.353 0.029 1 11 7 7 LYS CB C 32.187 0.010 1 12 7 7 LYS N N 119.122 0.077 1 13 8 8 THR H H 8.210 0.003 1 14 8 8 THR CA C 66.839 0.052 1 15 8 8 THR CB C 68.586 0.021 1 16 8 8 THR N N 116.390 0.013 1 17 9 9 ASN H H 8.366 0.011 1 18 9 9 ASN CA C 55.587 0.099 1 19 9 9 ASN CB C 38.187 0.107 1 20 9 9 ASN N N 121.256 0.080 1 21 10 10 VAL H H 8.667 0.009 1 22 10 10 VAL CA C 67.013 0.069 1 23 10 10 VAL CB C 31.514 0.000 1 24 10 10 VAL N N 120.481 0.079 1 25 11 11 LYS H H 8.125 0.005 1 26 11 11 LYS CA C 60.302 0.070 1 27 11 11 LYS CB C 32.484 0.111 1 28 11 11 LYS N N 118.291 0.050 1 29 12 12 ALA H H 8.253 0.003 1 30 12 12 ALA CA C 54.804 0.059 1 31 12 12 ALA CB C 18.133 0.029 1 32 12 12 ALA N N 121.722 0.026 1 33 13 13 ALA H H 8.395 0.002 1 34 13 13 ALA CA C 55.367 0.021 1 35 13 13 ALA CB C 18.495 0.035 1 36 13 13 ALA N N 121.184 0.019 1 37 14 14 TRP H H 9.165 0.004 1 38 14 14 TRP CA C 60.111 0.037 1 39 14 14 TRP CB C 29.153 0.022 1 40 14 14 TRP N N 118.095 0.035 1 41 15 15 GLY H H 8.091 0.005 1 42 15 15 GLY CA C 46.807 0.067 1 43 15 15 GLY N N 105.711 0.039 1 44 16 16 LYS H H 7.416 0.015 1 45 16 16 LYS CA C 57.225 0.062 1 46 16 16 LYS CB C 32.033 0.044 1 47 16 16 LYS N N 120.302 0.031 1 48 17 17 VAL H H 7.697 0.010 1 49 17 17 VAL CA C 66.247 0.056 1 50 17 17 VAL CB C 31.006 0.099 1 51 17 17 VAL N N 121.010 0.127 1 52 18 18 GLY H H 7.364 0.003 1 53 18 18 GLY CA C 46.999 0.080 1 54 18 18 GLY N N 103.219 0.036 1 55 19 19 ALA H H 8.861 0.000 1 56 19 19 ALA CA C 53.191 0.060 1 57 19 19 ALA CB C 18.277 0.070 1 58 19 19 ALA N N 127.704 0.000 1 59 20 20 HIS H H 7.788 0.003 1 60 20 20 HIS CA C 55.622 0.083 1 61 20 20 HIS CB C 28.776 0.045 1 62 20 20 HIS N N 114.680 0.078 1 63 21 21 ALA H H 7.099 0.004 1 64 21 21 ALA CA C 56.512 0.067 1 65 21 21 ALA CB C 18.474 0.031 1 66 21 21 ALA N N 121.810 0.041 1 67 22 22 GLY H H 8.561 0.003 1 68 22 22 GLY CA C 47.477 0.054 1 69 22 22 GLY N N 104.867 0.025 1 70 23 23 GLU H H 7.841 0.006 1 71 23 23 GLU CA C 58.936 0.119 1 72 23 23 GLU CB C 28.877 0.000 1 73 23 23 GLU N N 124.591 0.037 1 74 24 24 TYR H H 8.004 0.004 1 75 24 24 TYR CA C 56.844 0.046 1 76 24 24 TYR CB C 34.796 0.000 1 77 24 24 TYR N N 120.706 0.039 1 78 25 25 GLY H H 8.904 0.004 1 79 25 25 GLY CA C 46.729 0.049 1 80 25 25 GLY N N 108.152 0.040 1 81 26 26 ALA H H 7.819 0.003 1 82 26 26 ALA CA C 55.021 0.023 1 83 26 26 ALA CB C 19.192 0.063 1 84 26 26 ALA N N 121.786 0.042 1 85 27 27 GLU H H 7.928 0.009 1 86 27 27 GLU CA C 59.069 0.097 1 87 27 27 GLU N N 118.972 0.069 1 88 28 28 ALA H H 8.351 0.007 1 89 28 28 ALA CA C 55.658 0.000 1 90 28 28 ALA CB C 17.950 0.038 1 91 28 28 ALA N N 121.441 0.099 1 92 29 29 LEU H H 7.336 0.014 1 93 29 29 LEU CA C 57.481 0.000 1 94 29 29 LEU N N 116.668 0.106 1 95 31 31 ARG H H 8.348 0.000 1 96 31 31 ARG CA C 59.094 0.000 1 97 31 31 ARG N N 118.838 0.000 1 98 33 33 PHE H H 8.142 0.006 1 99 33 33 PHE CA C 58.407 0.069 1 100 33 33 PHE CB C 38.001 0.064 1 101 33 33 PHE N N 117.569 0.046 1 102 34 34 LEU H H 7.648 0.005 1 103 34 34 LEU CA C 57.019 0.010 1 104 34 34 LEU CB C 43.224 0.047 1 105 34 34 LEU N N 116.124 0.048 1 106 35 35 SER H H 8.427 0.013 1 107 35 35 SER CA C 61.600 0.000 1 108 35 35 SER N N 113.637 0.085 1 109 37 37 PRO CA C 65.235 0.000 1 110 37 37 PRO CB C 32.201 0.000 1 111 38 38 THR H H 8.464 0.017 1 112 38 38 THR CA C 65.592 0.107 1 113 38 38 THR CB C 68.005 0.047 1 114 38 38 THR N N 113.478 0.075 1 115 39 39 THR H H 8.908 0.005 1 116 39 39 THR CA C 66.546 0.048 1 117 39 39 THR CB C 70.701 0.081 1 118 39 39 THR N N 114.840 0.065 1 119 40 40 LYS H H 7.863 0.007 1 120 40 40 LYS CA C 59.575 0.035 1 121 40 40 LYS CB C 32.248 0.097 1 122 40 40 LYS N N 118.016 0.116 1 123 41 41 THR H H 7.963 0.004 1 124 41 41 THR CA C 64.928 0.075 1 125 41 41 THR CB C 69.066 0.082 1 126 41 41 THR N N 111.697 0.047 1 127 42 42 TYR H H 7.473 0.004 1 128 42 42 TYR CA C 60.725 0.071 1 129 42 42 TYR CB C 39.406 0.028 1 130 42 42 TYR N N 116.588 0.091 1 131 43 43 PHE H H 7.870 0.009 1 132 43 43 PHE CA C 55.145 0.000 1 133 43 43 PHE CB C 40.025 0.000 1 134 43 43 PHE N N 116.924 0.071 1 135 44 44 PRO CA C 65.281 0.000 1 136 44 44 PRO CB C 31.464 0.000 1 137 45 45 HIS H H 9.589 0.006 1 138 45 45 HIS CA C 55.137 0.054 1 139 45 45 HIS CB C 29.602 0.001 1 140 45 45 HIS N N 116.616 0.040 1 141 46 46 PHE H H 7.555 0.005 1 142 46 46 PHE CA C 56.010 0.005 1 143 46 46 PHE CB C 40.226 0.067 1 144 46 46 PHE N N 122.747 0.024 1 145 47 47 ASP H H 7.991 0.006 1 146 47 47 ASP CA C 53.359 0.023 1 147 47 47 ASP CB C 39.853 0.000 1 148 47 47 ASP N N 119.107 0.063 1 149 48 48 LEU H H 8.665 0.016 1 150 48 48 LEU CA C 53.292 0.080 1 151 48 48 LEU CB C 40.297 0.053 1 152 48 48 LEU N N 128.063 0.037 1 153 49 49 SER H H 8.291 0.003 1 154 49 49 SER CA C 59.093 0.033 1 155 49 49 SER CB C 63.933 0.063 1 156 49 49 SER N N 117.767 0.028 1 157 50 50 HIS H H 8.809 0.003 1 158 50 50 HIS CA C 57.719 0.085 1 159 50 50 HIS CB C 28.736 0.050 1 160 50 50 HIS N N 122.037 0.082 1 161 51 51 GLY H H 9.566 0.010 1 162 51 51 GLY CA C 45.201 0.072 1 163 51 51 GLY N N 117.672 0.078 1 164 52 52 SER H H 7.538 0.016 1 165 52 52 SER CA C 57.072 0.022 1 166 52 52 SER CB C 64.887 0.097 1 167 52 52 SER N N 114.606 0.018 1 168 53 53 ALA H H 9.192 0.005 1 169 53 53 ALA CA C 54.708 0.059 1 170 53 53 ALA CB C 18.111 0.011 1 171 53 53 ALA N N 131.605 0.036 1 172 54 54 GLN H H 8.448 0.007 1 173 54 54 GLN CA C 58.863 0.055 1 174 54 54 GLN CB C 28.482 0.045 1 175 54 54 GLN N N 120.715 0.048 1 176 55 55 VAL H H 7.630 0.005 1 177 55 55 VAL CA C 67.283 0.044 1 178 55 55 VAL CB C 31.460 0.071 1 179 55 55 VAL N N 122.019 0.055 1 180 56 56 LYS H H 7.830 0.003 1 181 56 56 LYS CA C 59.907 0.037 1 182 56 56 LYS CB C 32.021 0.028 1 183 56 56 LYS N N 120.387 0.079 1 184 57 57 GLY H H 8.332 0.007 1 185 57 57 GLY CA C 46.742 0.066 1 186 57 57 GLY N N 106.194 0.025 1 187 58 58 HIS H H 8.198 0.008 1 188 58 58 HIS CA C 60.075 0.039 1 189 58 58 HIS CB C 31.090 0.020 1 190 58 58 HIS N N 124.790 0.024 1 191 59 59 GLY H H 8.613 0.005 1 192 59 59 GLY CA C 46.475 0.018 1 193 59 59 GLY N N 105.668 0.022 1 194 60 60 LYS H H 7.091 0.004 1 195 60 60 LYS CA C 59.443 0.010 1 196 60 60 LYS CB C 32.041 0.045 1 197 60 60 LYS N N 120.058 0.051 1 198 61 61 LYS H H 7.028 0.003 1 199 61 61 LYS CA C 60.280 0.078 1 200 61 61 LYS CB C 31.849 0.042 1 201 61 61 LYS N N 118.502 0.029 1 202 62 62 VAL H H 7.764 0.005 1 203 62 62 VAL CA C 66.892 0.029 1 204 62 62 VAL CB C 31.239 0.005 1 205 62 62 VAL N N 120.268 0.085 1 206 63 63 ALA H H 8.190 0.003 1 207 63 63 ALA CA C 56.013 0.051 1 208 63 63 ALA CB C 19.217 0.006 1 209 63 63 ALA N N 121.079 0.046 1 210 64 64 ASP H H 9.014 0.004 1 211 64 64 ASP CA C 57.583 0.006 1 212 64 64 ASP CB C 39.735 0.021 1 213 64 64 ASP N N 119.686 0.042 1 214 65 65 ALA H H 8.373 0.002 1 215 65 65 ALA CA C 55.455 0.070 1 216 65 65 ALA CB C 19.903 0.008 1 217 65 65 ALA N N 124.721 0.039 1 218 66 66 LEU H H 8.544 0.007 1 219 66 66 LEU CA C 58.120 0.030 1 220 66 66 LEU CB C 41.535 0.006 1 221 66 66 LEU N N 119.496 0.033 1 222 67 67 THR H H 9.253 0.002 1 223 67 67 THR CA C 67.042 0.056 1 224 67 67 THR CB C 68.672 0.074 1 225 67 67 THR N N 118.443 0.065 1 226 68 68 ASN H H 8.155 0.005 1 227 68 68 ASN CA C 56.434 0.049 1 228 68 68 ASN CB C 38.692 0.061 1 229 68 68 ASN N N 121.254 0.084 1 230 69 69 ALA H H 8.585 0.006 1 231 69 69 ALA CA C 56.175 0.035 1 232 69 69 ALA CB C 18.036 0.078 1 233 69 69 ALA N N 123.460 0.029 1 234 70 70 VAL H H 8.317 0.007 1 235 70 70 VAL CA C 67.060 0.068 1 236 70 70 VAL CB C 31.759 0.000 1 237 70 70 VAL N N 117.092 0.037 1 238 71 71 ALA H H 7.732 0.005 1 239 71 71 ALA CA C 54.112 0.003 1 240 71 71 ALA CB C 18.060 0.044 1 241 71 71 ALA N N 120.181 0.038 1 242 72 72 HIS H H 7.728 0.003 1 243 72 72 HIS CA C 54.836 0.052 1 244 72 72 HIS CB C 28.326 0.037 1 245 72 72 HIS N N 115.998 0.045 1 246 73 73 VAL H H 6.733 0.006 1 247 73 73 VAL CA C 65.262 0.045 1 248 73 73 VAL CB C 31.915 0.027 1 249 73 73 VAL N N 119.706 0.035 1 250 74 74 ASP H H 8.350 0.004 1 251 74 74 ASP CA C 55.195 0.004 1 252 74 74 ASP CB C 41.159 0.050 1 253 74 74 ASP N N 119.544 0.057 1 254 75 75 ASP H H 8.405 0.002 1 255 75 75 ASP CA C 52.970 0.055 1 256 75 75 ASP CB C 41.354 0.012 1 257 75 75 ASP N N 122.583 0.075 1 258 76 76 MET H H 8.800 0.006 1 259 76 76 MET CA C 61.941 0.000 1 260 76 76 MET CB C 32.826 0.000 1 261 76 76 MET N N 122.121 0.044 1 262 77 77 PRO CA C 66.522 0.037 1 263 77 77 PRO CB C 30.730 0.031 1 264 78 78 ASN H H 7.410 0.003 1 265 78 78 ASN CA C 55.584 0.018 1 266 78 78 ASN CB C 38.860 0.038 1 267 78 78 ASN N N 112.308 0.034 1 268 79 79 ALA H H 7.975 0.003 1 269 79 79 ALA CA C 54.715 0.047 1 270 79 79 ALA CB C 18.402 0.013 1 271 79 79 ALA N N 122.171 0.039 1 272 80 80 LEU H H 8.041 0.003 1 273 80 80 LEU CA C 53.713 0.025 1 274 80 80 LEU CB C 41.381 0.038 1 275 80 80 LEU N N 113.799 0.019 1 276 81 81 SER H H 7.151 0.004 1 277 81 81 SER CA C 62.382 0.112 1 278 81 81 SER N N 116.738 0.070 1 279 82 82 ALA H H 8.553 0.013 1 280 82 82 ALA CA C 55.105 0.057 1 281 82 82 ALA CB C 17.718 0.083 1 282 82 82 ALA N N 123.688 0.055 1 283 83 83 LEU H H 7.620 0.002 1 284 83 83 LEU CA C 56.184 0.024 1 285 83 83 LEU CB C 41.847 0.015 1 286 83 83 LEU N N 118.588 0.023 1 287 84 84 SER H H 8.450 0.003 1 288 84 84 SER CA C 60.934 0.059 1 289 84 84 SER CB C 61.980 0.012 1 290 84 84 SER N N 121.228 0.061 1 291 85 85 ASP H H 7.623 0.002 1 292 85 85 ASP CA C 57.801 0.046 1 293 85 85 ASP CB C 40.697 0.064 1 294 85 85 ASP N N 121.693 0.045 1 295 86 86 LEU H H 7.265 0.004 1 296 86 86 LEU CA C 57.648 0.059 1 297 86 86 LEU CB C 41.867 0.109 1 298 86 86 LEU N N 117.134 0.028 1 299 87 87 HIS H H 7.132 0.004 1 300 87 87 HIS CA C 61.071 0.004 1 301 87 87 HIS CB C 27.199 0.016 1 302 87 87 HIS N N 112.021 0.080 1 303 88 88 ALA H H 8.278 0.010 1 304 88 88 ALA CA C 53.961 0.017 1 305 88 88 ALA CB C 19.138 0.055 1 306 88 88 ALA N N 119.848 0.055 1 307 89 89 HIS H H 7.254 0.007 1 308 89 89 HIS CA C 57.255 0.089 1 309 89 89 HIS CB C 30.759 0.005 1 310 89 89 HIS N N 113.559 0.055 1 311 90 90 LYS H H 7.511 0.003 1 312 90 90 LYS CA C 58.955 0.050 1 313 90 90 LYS CB C 32.057 0.019 1 314 90 90 LYS N N 118.679 0.056 1 315 91 91 LEU H H 8.027 0.005 1 316 91 91 LEU CA C 55.069 0.030 1 317 91 91 LEU CB C 43.752 0.052 1 318 91 91 LEU N N 114.807 0.050 1 319 92 92 ARG H H 6.295 0.008 1 320 92 92 ARG CA C 56.499 0.042 1 321 92 92 ARG N N 112.319 0.044 1 322 93 93 VAL H H 7.765 0.003 1 323 93 93 VAL CA C 63.231 0.030 1 324 93 93 VAL CB C 31.851 0.027 1 325 93 93 VAL N N 119.206 0.021 1 326 94 94 ASP H H 7.582 0.003 1 327 94 94 ASP CA C 53.233 0.018 1 328 94 94 ASP CB C 41.782 0.000 1 329 94 94 ASP N N 128.294 0.026 1 330 95 95 PRO CA C 65.532 0.000 1 331 95 95 PRO CB C 32.904 0.000 1 332 96 96 VAL H H 8.918 0.012 1 333 96 96 VAL CA C 65.576 0.043 1 334 96 96 VAL CB C 31.177 0.000 1 335 96 96 VAL N N 119.512 0.059 1 336 97 97 ASN H H 8.257 0.010 1 337 97 97 ASN CA C 56.861 0.031 1 338 97 97 ASN CB C 40.707 0.021 1 339 97 97 ASN N N 116.457 0.080 1 340 98 98 PHE H H 8.089 0.013 1 341 98 98 PHE CA C 62.732 0.048 1 342 98 98 PHE CB C 37.038 0.033 1 343 98 98 PHE N N 118.153 0.044 1 344 99 99 LYS H H 7.564 0.004 1 345 99 99 LYS CA C 59.346 0.015 1 346 99 99 LYS N N 122.005 0.073 1 347 100 100 LEU H H 7.369 0.006 1 348 100 100 LEU CA C 57.681 0.035 1 349 100 100 LEU CB C 39.295 0.000 1 350 100 100 LEU N N 118.656 0.069 1 351 101 101 LEU H H 8.239 0.010 1 352 101 101 LEU CA C 58.659 0.098 1 353 101 101 LEU CB C 40.976 0.105 1 354 101 101 LEU N N 120.236 0.057 1 355 102 102 SER H H 8.482 0.005 1 356 102 102 SER CA C 64.084 0.029 1 357 102 102 SER CB C 62.608 0.000 1 358 102 102 SER N N 115.148 0.059 1 359 103 103 HIS H H 8.059 0.003 1 360 103 103 HIS N N 123.233 0.058 1 361 105 105 LEU H H 9.118 0.007 1 362 105 105 LEU N N 124.277 0.115 1 363 111 111 ALA CB C 17.793 0.000 1 364 112 112 HIS H H 7.071 0.006 1 365 112 112 HIS CA C 57.118 0.000 1 366 112 112 HIS N N 112.694 0.029 1 367 115 115 ALA H H 8.363 0.011 1 368 115 115 ALA CA C 53.927 0.031 1 369 115 115 ALA CB C 18.508 0.000 1 370 115 115 ALA N N 118.770 0.010 1 371 116 116 GLU H H 7.956 0.009 1 372 116 116 GLU CA C 57.015 0.000 1 373 116 116 GLU N N 115.111 0.012 1 374 117 117 PHE CB C 37.169 0.000 1 375 118 118 THR H H 7.500 0.008 1 376 118 118 THR CA C 60.540 0.000 1 377 118 118 THR CB C 68.038 0.000 1 378 118 118 THR N N 114.493 0.057 1 379 120 120 ALA CA C 54.891 0.000 1 380 120 120 ALA CB C 18.606 0.000 1 381 121 121 VAL H H 7.453 0.002 1 382 121 121 VAL CA C 67.345 0.000 1 383 121 121 VAL N N 120.686 0.047 1 384 126 126 ASP CA C 57.820 0.021 1 385 126 126 ASP CB C 41.810 0.000 1 386 127 127 LYS H H 8.046 0.009 1 387 127 127 LYS CA C 59.896 0.033 1 388 127 127 LYS CB C 32.728 0.000 1 389 127 127 LYS N N 119.204 0.103 1 390 128 128 PHE H H 8.825 0.019 1 391 128 128 PHE CA C 61.364 0.046 1 392 128 128 PHE CB C 39.910 0.000 1 393 128 128 PHE N N 122.240 0.051 1 394 129 129 LEU H H 9.122 0.009 1 395 129 129 LEU CA C 58.085 0.009 1 396 129 129 LEU CB C 39.816 0.022 1 397 129 129 LEU N N 121.319 0.066 1 398 130 130 ALA H H 8.615 0.016 1 399 130 130 ALA CA C 55.378 0.000 1 400 130 130 ALA CB C 17.590 0.000 1 401 130 130 ALA N N 125.241 0.064 1 402 131 131 SER H H 8.169 0.006 1 403 131 131 SER CA C 62.657 0.052 1 404 131 131 SER CB C 63.731 0.000 1 405 131 131 SER N N 118.225 0.024 1 406 132 132 VAL H H 8.322 0.005 1 407 132 132 VAL CA C 66.770 0.040 1 408 132 132 VAL CB C 31.965 0.000 1 409 132 132 VAL N N 123.066 0.061 1 410 133 133 SER H H 8.301 0.003 1 411 133 133 SER CA C 63.374 0.037 1 412 133 133 SER CB C 62.250 0.077 1 413 133 133 SER N N 115.271 0.022 1 414 134 134 THR H H 8.244 0.003 1 415 134 134 THR CA C 66.817 0.031 1 416 134 134 THR CB C 68.553 0.048 1 417 134 134 THR N N 120.132 0.052 1 418 135 135 VAL H H 7.564 0.005 1 419 135 135 VAL CA C 66.423 0.032 1 420 135 135 VAL CB C 30.855 0.139 1 421 135 135 VAL N N 122.040 0.037 1 422 136 136 LEU H H 7.866 0.010 1 423 136 136 LEU CA C 57.182 0.062 1 424 136 136 LEU CB C 41.274 0.079 1 425 136 136 LEU N N 118.755 0.154 1 426 137 137 THR H H 6.758 0.005 1 427 137 137 THR CA C 60.539 0.132 1 428 137 137 THR CB C 69.993 0.007 1 429 137 137 THR N N 102.434 0.086 1 430 138 138 SER H H 7.281 0.006 1 431 138 138 SER CA C 59.628 0.020 1 432 138 138 SER CB C 63.640 0.074 1 433 138 138 SER N N 119.086 0.044 1 434 139 139 LYS H H 8.044 0.003 1 435 139 139 LYS CA C 55.773 0.086 1 436 139 139 LYS CB C 32.477 0.050 1 437 139 139 LYS N N 120.731 0.063 1 438 140 140 TYR H H 8.038 0.006 1 439 140 140 TYR CA C 58.638 0.068 1 440 140 140 TYR CB C 38.691 0.064 1 441 140 140 TYR N N 121.595 0.037 1 442 141 141 ARG H H 7.637 0.008 1 443 141 141 ARG CA C 57.178 0.000 1 444 141 141 ARG CB C 31.742 0.000 1 445 141 141 ARG N N 128.291 0.016 1 stop_ save_