data_6683 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Resonance Assignments of Human Normal Adult Hemoglobin in the Deoxy Form ; _BMRB_accession_number 6683 _BMRB_flat_file_name bmr6683.str _Entry_type original _Submission_date 2005-06-10 _Accession_date 2005-06-13 _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 Sahu Sarata C. . 2 Simplaceanu Virgil . . 3 Ho Nancy T. . 4 Giovannelli Janel L. . 5 Ho Chien . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 222 "13C chemical shifts" 694 "15N chemical shifts" 222 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-06-05 original author . stop_ _Original_release_date 2007-06-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone Resonance Assignment of Human Adult Hemoglobin in the Deoxy Form' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16703421 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sahu Sarata C. . 2 Simplaceanu Virgil . . 3 Ho Nancy T. . 4 Giovannelli Janel L. . 5 Ho Chien . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1 _Page_last 1 _Year 2006 _Details . loop_ _Keyword 'backbone resonance assignments' deoxy-hemoglobin 'protein NMR' 'triple resonance experiments' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'deoxy-Hb A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'globin subunit alpha one' $human_normal_adult_hemoglobin_alpha_chain_in_deoxy_form 'globin subunit alpha two' $human_normal_adult_hemoglobin_alpha_chain_in_deoxy_form 'globin subunit beta one' $human_normal_adult_hemoglobin_beta_chain_in_deoxy_form 'globin subunit beta two' $human_normal_adult_hemoglobin_beta_chain_in_deoxy_form 'heme, 1' $HEM 'heme, 2' $HEM 'heme, 3' $HEM 'heme, 4' $HEM stop_ _System_molecular_weight 64000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic yes _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'globin subunit alpha one' 1 'globin subunit alpha two' 2 'globin subunit beta one' 2 'globin subunit beta two' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_human_normal_adult_hemoglobin_alpha_chain_in_deoxy_form _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'deoxy-Hb A alpha' _Molecular_mass 64000 _Mol_thiol_state 'all free' loop_ _Biological_function 'oxygen transport' 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 2015-01-28 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 1053 "hemoglobin A beta chain" 100.00 146 100.00 100.00 6.17e-101 BMRB 1102 "hemoglobin A beta chain" 100.00 146 100.00 100.00 6.17e-101 BMRB 2006 "hemoglobin A beta chain" 100.00 146 100.00 100.00 6.17e-101 BMRB 2708 "hemoglobin A beta chain" 100.00 146 100.00 100.00 6.17e-101 BMRB 2710 "hemoglobin A beta chain" 100.00 146 100.00 100.00 6.17e-101 BMRB 5856 beta_subunit 100.00 146 100.00 100.00 6.17e-101 BMRB 6230 bHb 100.00 146 100.00 100.00 6.17e-101 BMRB 7125 globin_subunit_beta 100.00 146 100.00 100.00 6.17e-101 BMRB 908 "hemoglobin A beta chain" 100.00 146 100.00 100.00 6.17e-101 PDB 1A00 "Hemoglobin (Val Beta1 Met, Trp Beta37 Tyr) Mutant" 100.00 146 98.63 100.00 1.02e-99 PDB 1A01 "Hemoglobin (Val Beta1 Met, Trp Beta37 Ala) Mutant" 100.00 146 98.63 99.32 4.99e-99 PDB 1A0U "Hemoglobin (Val Beta1 Met) Mutant" 100.00 146 99.32 100.00 1.37e-100 PDB 1A0Z "Hemoglobin (Val Beta1 Met) Mutant" 100.00 146 99.32 100.00 1.37e-100 PDB 1A3N "Deoxy Human Hemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 1A3O "Artificial Mutant (Alpha Y42h) Of Deoxy Hemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 1ABW "Deoxy Rhb1.1 (Recombinant Hemoglobin)" 100.00 146 98.63 99.32 1.23e-99 PDB 1ABY "Cyanomet Rhb1.1 (Recombinant Hemoglobin)" 100.00 146 98.63 99.32 1.23e-99 PDB 1AJ9 "R-State Human Carbonmonoxyhemoglobin Alpha-A53s" 100.00 146 100.00 100.00 6.17e-101 PDB 1B86 "Human Deoxyhaemoglobin-2,3-Diphosphoglycerate Complex" 100.00 146 100.00 100.00 6.17e-101 PDB 1BAB "Hemoglobin Thionville: An Alpha-Chain Variant With A Substitution Of A Glutamate For Valine At Na-1 And Having An Acetylated Me" 100.00 146 100.00 100.00 6.17e-101 PDB 1BBB "A Third Quaternary Structure Of Human Hemoglobin A At 1.7-angstroms Resolution" 100.00 146 100.00 100.00 6.17e-101 PDB 1BIJ "Crosslinked, Deoxy Human Hemoglobin A" 100.00 146 100.00 100.00 6.17e-101 PDB 1BUW "Crystal Structure Of S-Nitroso-Nitrosyl Human Hemoglobin A" 100.00 146 99.32 99.32 1.91e-99 PDB 1BZ0 "Hemoglobin A (Human, Deoxy, High Salt)" 100.00 146 100.00 100.00 6.17e-101 PDB 1BZ1 "Hemoglobin (Alpha + Met) Variant" 100.00 146 100.00 100.00 6.17e-101 PDB 1BZZ "Hemoglobin (Alpha V1m) Mutant" 100.00 146 100.00 100.00 6.17e-101 PDB 1C7B "Deoxy Rhb1.0 (Recombinant Hemoglobin)" 100.00 146 98.63 99.32 1.23e-99 PDB 1C7C "Deoxy Rhb1.1 (Recombinant Hemoglobin)" 100.00 146 98.63 99.32 1.23e-99 PDB 1C7D "Deoxy Rhb1.2 (Recombinant Hemoglobin)" 100.00 146 98.63 99.32 1.23e-99 PDB 1CBL "The 1.9 Angstrom Structure Of Deoxy-Beta4 Hemoglobin: Analysis Of The Partitioning Of Quaternary-Associated And Ligand-Induced " 100.00 146 100.00 100.00 6.17e-101 PDB 1CBM "The 1.8 Angstrom Structure Of Carbonmonoxy-Beta4 Hemoglobin: Analysis Of A Homotetramer With The R Quaternary Structure Of Liga" 100.00 146 100.00 100.00 6.17e-101 PDB 1CLS "Cross-Linked Human Hemoglobin Deoxy" 100.00 146 100.00 100.00 6.17e-101 PDB 1CMY "The Mutation Beta99 Asp-Tyr Stabilizes Y-A New, Composite Quaternary State Of Human Hemoglobin" 100.00 146 99.32 99.32 1.44e-99 PDB 1COH "Structure Of Haemoglobin In The Deoxy Quaternary State With Ligand Bound At The Alpha Haems" 100.00 146 100.00 100.00 6.17e-101 PDB 1DKE "Ni Beta Heme Human Hemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 1DXT "High-Resolution X-Ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini" 100.00 147 100.00 100.00 5.85e-101 PDB 1DXU "High-Resolution X-Ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini" 100.00 146 99.32 100.00 1.37e-100 PDB 1DXV "High-resolution X-ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-globins Having Mutated Amino Termini" 99.32 146 100.00 100.00 1.97e-100 PDB 1FN3 "Crystal Structure Of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 1G9V "High Resolution Crystal Structure Of Deoxy Hemoglobin Complexed With A Potent Allosteric Effector" 100.00 146 100.00 100.00 6.17e-101 PDB 1GBU "Deoxy (Beta-(C93a,C112g)) Human Hemoglobin" 100.00 146 98.63 98.63 3.20e-98 PDB 1GBV "(Alpha-Oxy, Beta-(C112g)deoxy) T-State Human Hemoglobin" 100.00 146 99.32 99.32 2.92e-99 PDB 1GLI "Deoxyhemoglobin T38w (alpha Chains), V1g (alpha And Beta Chains)" 100.00 146 99.32 100.00 1.37e-100 PDB 1GZX "Oxy T State Haemoglobin: Oxygen Bound At All Four Haems" 100.00 146 100.00 100.00 6.17e-101 PDB 1HAB "Crosslinked Haemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 1HAC "Crosslinked Haemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 1HBA "High-Resolution X-Ray Study Of Deoxyhemoglobin Rothschild 37beta Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Bi" 100.00 146 99.32 99.32 2.59e-99 PDB 1HBB "High-Resolution X-Ray Study Of Deoxyhemoglobin Rothschild 37beta Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Bi" 100.00 146 100.00 100.00 6.17e-101 PDB 1HBS "Refined Crystal Structure Of Deoxyhemoglobin S. I. Restrained Least-Squares Refinement At 3.0-Angstroms Resolution" 100.00 146 99.32 99.32 8.59e-100 PDB 1HCO "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" 100.00 146 100.00 100.00 6.17e-101 PDB 1HDB "Analysis Of The Crystal Structure, Molecular Modeling And Infrared Spectroscopy Of The Distal Beta-Heme Pocket Valine67(E11)-Th" 100.00 146 99.32 99.32 1.90e-100 PDB 1HGA "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-state Haemoglobins: T(alpha-o" 100.00 146 100.00 100.00 6.17e-101 PDB 1HGB "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-State Haemoglobins: T(Alpha-O" 100.00 146 100.00 100.00 6.17e-101 PDB 1HGC "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-state Haemoglobins: T(alpha-o" 100.00 146 100.00 100.00 6.17e-101 PDB 1HHO "Structure Of Human Oxyhaemoglobin At 2.1 Angstroms Resolution" 100.00 146 100.00 100.00 6.17e-101 PDB 1IRD "Crystal Structure Of Human Carbonmonoxy-Haemoglobin At 1.25 A Resolution" 100.00 146 100.00 100.00 6.17e-101 PDB 1J3Y "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Hemoglobin; Crystal Structure Of Alpha(Fe)-Beta(N" 100.00 146 100.00 100.00 6.17e-101 PDB 1J3Z "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Fe-Co)-Be" 100.00 146 100.00 100.00 6.17e-101 PDB 1J40 "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Ni)-Beta(" 100.00 146 100.00 100.00 6.17e-101 PDB 1J41 "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Ni)-Beta(" 100.00 146 100.00 100.00 6.17e-101 PDB 1J7S "Crystal Structure Of Deoxy Hbalphayq, A Mutant Of Hba" 100.00 146 99.32 100.00 1.37e-100 PDB 1J7W "Crystal Structure Of Deoxy Hbbetayq, A Site Directed Mutant Of Hba" 100.00 146 97.95 98.63 4.57e-99 PDB 1J7Y "Crystal Structure Of Partially Ligated Mutant Of Hba" 100.00 146 97.95 98.63 4.57e-99 PDB 1JY7 "The Structure Of Human Methemoglobin. The Variation Of A Theme" 100.00 146 100.00 100.00 6.17e-101 PDB 1K0Y "X-ray Crystallographic Analyses Of Symmetrical Allosteric Effectors Of Hemoglobin. Compounds Designed To Link Primary And Secon" 100.00 146 100.00 100.00 6.17e-101 PDB 1K1K "Structure Of Mutant Human Carbonmonoxyhemoglobin C (beta E6k) At 2.0 Angstrom Resolution In Phosphate Buffer." 100.00 146 99.32 100.00 3.04e-100 PDB 1KD2 "Crystal Structure Of Human Deoxyhemoglobin In Absence Of Any Anions" 100.00 146 100.00 100.00 6.17e-101 PDB 1LFL "Deoxy Hemoglobin (90% Relative Humidity)" 100.00 146 100.00 100.00 6.17e-101 PDB 1LFQ "Oxy Hemoglobin (93% Relative Humidity)" 100.00 146 100.00 100.00 6.17e-101 PDB 1LFT "Oxy Hemoglobin (90% Relative Humidity)" 100.00 146 100.00 100.00 6.17e-101 PDB 1LFV "Oxy Hemoglobin (88% Relative Humidity)" 100.00 146 100.00 100.00 6.17e-101 PDB 1LFY "Oxy Hemoglobin (84% Relative Humidity)" 100.00 146 100.00 100.00 6.17e-101 PDB 1LFZ "Oxy Hemoglobin (25% Methanol)" 100.00 146 100.00 100.00 6.17e-101 PDB 1LJW "Crystal Structure Of Human Carbonmonoxy Hemoglobin At 2.16 A: A Snapshot Of The Allosteric Transition" 100.00 146 100.00 100.00 6.17e-101 PDB 1M9P "Crystalline Human Carbonmonoxy Hemoglobin C Exhibits The R2 Quaternary State At Neutral Ph In The Presence Of Polyethylene Glyc" 100.00 146 99.32 100.00 3.04e-100 PDB 1MKO "A Fourth Quaternary Structure Of Human Hemoglobin A At 2.18 A Resolution" 100.00 146 100.00 100.00 6.17e-101 PDB 1NEJ "Crystalline Human Carbonmonoxy Hemoglobin S (liganded Sickle Cell Hemoglobin) Exhibits The R2 Quaternary State At Neutral Ph In" 100.00 146 99.32 99.32 8.59e-100 PDB 1NIH "Structure Of Deoxy-Quaternary Haemoglobin With Liganded Beta Subunits" 100.00 146 100.00 100.00 6.17e-101 PDB 1NQP "Crystal Structure Of Human Hemoglobin E At 1.73 A Resolution" 100.00 146 99.32 100.00 3.04e-100 PDB 1O1I "Cyanomet Hemoglobin (a-gly-c:v1m,l29f,h58q; B,d:v1m,l106w)" 100.00 146 98.63 99.32 2.35e-99 PDB 1O1J "Deoxy Hemoglobin (a-gly-c:v1m,l29f,h58q; B,d:v1m,l106w)" 100.00 146 98.63 99.32 2.35e-99 PDB 1O1K "Deoxy Hemoglobin (A,C:v1m; B,D:v1m,V67w)" 100.00 146 98.63 99.32 2.89e-99 PDB 1O1L "Deoxy Hemoglobin (A-Gly-C:v1m,L29w,H58q; B,D:v1m)" 100.00 146 99.32 100.00 1.37e-100 PDB 1O1M "Deoxy Hemoglobin (a-glyglygly-c:v1m,l29f,h58q B,d:v1m,v67w)" 100.00 146 98.63 99.32 2.89e-99 PDB 1O1N "Deoxy Hemoglobin (A-Glyglygly-C:v1m,L29w; B,D:v1m)" 100.00 146 99.32 100.00 1.37e-100 PDB 1O1O "Deoxy Hemoglobin (A,C:v1m,V62l; B,D:v1m,V67l)" 100.00 146 98.63 100.00 4.13e-100 PDB 1O1P "Deoxy Hemoglobin (A-Gly-C:v1m; B,D:v1m,C93a,N108k)" 100.00 146 97.95 98.63 2.00e-98 PDB 1QI8 "Deoxygenated Structure Of A Distal Pocket Hemoglobin Mutant" 100.00 146 97.95 98.63 4.57e-99 PDB 1QSH "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" 100.00 146 100.00 100.00 6.17e-101 PDB 1QSI "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" 100.00 146 100.00 100.00 6.17e-101 PDB 1QXD "Structural Basis For The Potent Antisickling Effect Of A Novel Class Of 5-Membered Heterocyclic Aldehydic Compounds" 100.00 146 100.00 100.00 6.17e-101 PDB 1QXE "Structural Basis For The Potent Antisickling Effect Of A Novel Class Of 5-Membered Heterocyclic Aldehydic Compounds" 100.00 146 100.00 100.00 6.17e-101 PDB 1R1X "Crystal Structure Of Oxy-Human Hemoglobin Bassett At 2.15 Angstrom" 100.00 146 100.00 100.00 6.17e-101 PDB 1R1Y "Crystal Structure Of Deoxy-Human Hemoglobin Bassett At 1.8 Angstrom" 100.00 146 100.00 100.00 6.17e-101 PDB 1RPS "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin. Hemoglobin Exposed To No Under" 100.00 146 100.00 100.00 6.17e-101 PDB 1RQ3 "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Deoxyhemoglobin, Deoxyhemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 1RQ4 "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin, Hemoglobin Exposed To No Under" 100.00 146 99.32 99.32 1.91e-99 PDB 1RQA "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin. Beta W73e Hemoglobin Exposed T" 100.00 146 98.63 99.32 7.31e-99 PDB 1RVW "R State Human Hemoglobin [alpha V96w], Carbonmonoxy" 100.00 146 100.00 100.00 6.17e-101 PDB 1SDK "Cross-linked, Carbonmonoxy Hemoglobin A" 100.00 146 100.00 100.00 6.17e-101 PDB 1SDL "Cross-Linked, Carbonmonoxy Hemoglobin A" 100.00 146 100.00 100.00 6.17e-101 PDB 1THB "Refinement Of A Partially Oxygenated T State Haemoglobin At 1.5 Angstroms Resolution" 100.00 146 100.00 100.00 6.17e-101 PDB 1UIW "Crystal Structures Of Unliganded And Half-Liganded Human Hemoglobin Derivatives Cross-Linked Between Lys 82beta1 And Lys 82beta" 100.00 146 100.00 100.00 6.17e-101 PDB 1VWT "T State Human Hemoglobin [alpha V96w], Alpha Aquomet, Beta Deoxy" 100.00 146 100.00 100.00 6.17e-101 PDB 1XXT "The T-To-T High Transitions In Human Hemoglobin: Wild-Type Deoxy Hb A (Low Salt, One Test Set)" 100.00 146 100.00 100.00 6.17e-101 PDB 1XY0 "T-To-Thigh Transitions In Human Hemoglobin: Alphak40g Deoxy Low-Salt" 100.00 146 100.00 100.00 6.17e-101 PDB 1XYE "T-to-thigh Transitions In Human Hemoglobin: Alpha Y42a Deoxy Low Salt" 100.00 146 100.00 100.00 6.17e-101 PDB 1XZ2 "Wild-Type Hemoglobin Deoxy No-Salt" 100.00 146 100.00 100.00 6.17e-101 PDB 1XZ4 "Intersubunit Interactions Associated With Tyr42alpha Stabilize The Quaternary-T Tetramer But Are Not Major Quaternary Constrain" 100.00 146 100.00 100.00 6.17e-101 PDB 1XZ5 "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphal91a Deoxy Low-Salt" 100.00 146 100.00 100.00 6.17e-101 PDB 1XZ7 "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphar92a Deoxy Low-Salt" 100.00 146 100.00 100.00 6.17e-101 PDB 1XZU "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphad94g Deoxy Low-Salt" 100.00 146 100.00 100.00 6.17e-101 PDB 1XZV "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphap95a Deoxy Low-Salt" 100.00 146 100.00 100.00 6.17e-101 PDB 1Y09 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphan97a Deoxy Low-Salt" 100.00 146 100.00 100.00 6.17e-101 PDB 1Y0A "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140a Deoxy Low-Salt" 100.00 146 100.00 100.00 6.17e-101 PDB 1Y0C "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140f Deoxy Low-Salt" 100.00 146 100.00 100.00 6.17e-101 PDB 1Y0D "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Desarg141alpha Deoxy Low-Salt" 100.00 146 100.00 100.00 6.17e-101 PDB 1Y0T "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav1m Deoxy Low-Salt (1 Test Set)" 100.00 146 99.32 100.00 1.37e-100 PDB 1Y0W "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Betav1m Deoxy Low-Salt (10 Test Sets)" 100.00 146 99.32 100.00 1.37e-100 PDB 1Y22 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav33a Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 99.32 4.87e-100 PDB 1Y2Z "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav34g Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 99.32 1.85e-99 PDB 1Y31 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35a Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 99.32 2.40e-99 PDB 1Y35 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35f Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 100.00 7.46e-100 PDB 1Y45 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap36a Deoxy Low-Salt (10 Test Sets)" 100.00 146 98.63 99.32 1.66e-99 PDB 1Y46 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37y Deoxy Low-Salt (10 Test Sets)" 100.00 146 98.63 100.00 1.02e-99 PDB 1Y4B "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37h Deoxy Low-Salt (10 Test Sets)" 100.00 146 98.63 99.32 1.04e-98 PDB 1Y4F "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37a Deoxy Low-Salt (10 Test Sets)" 100.00 146 98.63 99.32 4.99e-99 PDB 1Y4G "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37g Deoxy Low-Salt (10 Test Sets)" 100.00 146 98.63 99.32 9.40e-99 PDB 1Y4P "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37e Deoxy Low-Salt (10 Test Sets)" 100.00 146 98.63 99.32 7.31e-99 PDB 1Y4Q "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaf42a Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 99.32 1.81e-99 PDB 1Y4R "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaf45a Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 99.32 1.81e-99 PDB 1Y4V "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betac93a Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 99.32 2.53e-99 PDB 1Y5F "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betal96a Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 99.32 7.96e-100 PDB 1Y5J "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betah97a Deoxy Low-salt (1 Test Set)" 100.00 146 98.63 99.32 1.95e-99 PDB 1Y5K "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betad99a Deoxy Low-salt (10 Test Sets)" 100.00 146 98.63 99.32 1.75e-99 PDB 1Y7C "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap100a Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 99.32 1.66e-99 PDB 1Y7D "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betap100g Deoxy Low-salt (1 Test Set)" 100.00 146 98.63 99.32 2.86e-99 PDB 1Y7G "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betan102a Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 99.32 1.87e-99 PDB 1Y7Z "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betan108a Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 99.32 1.87e-99 PDB 1Y83 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay145g Deoxy Low-Salt (1 Test Set)" 100.00 146 98.63 99.32 4.72e-99 PDB 1Y85 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Deshis146beta Deoxy Low-Salt" 99.32 145 100.00 100.00 4.66e-100 PDB 1Y8W "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphar92a Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 100.00 146 100.00 100.00 6.17e-101 PDB 1YDZ "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphay140f Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 100.00 146 100.00 100.00 6.17e-101 PDB 1YE0 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav33a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 100.00 146 98.63 99.32 4.87e-100 PDB 1YE1 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 100.00 146 98.63 99.32 2.40e-99 PDB 1YE2 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35f Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 100.00 146 98.63 100.00 7.46e-100 PDB 1YEN "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap36a Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 100.00 146 98.63 99.32 1.66e-99 PDB 1YEO "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37a Oxy (10 Test Sets)" 100.00 146 98.63 99.32 4.99e-99 PDB 1YEQ "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37y Oxy (10 Test Sets)" 100.00 146 98.63 100.00 1.02e-99 PDB 1YEU "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37g Oxy (10 Test Sets)" 100.00 146 98.63 99.32 9.40e-99 PDB 1YEV "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37e Oxy (10 Test Sets)" 100.00 146 98.63 99.32 7.31e-99 PDB 1YFF "Structure Of Human Carbonmonoxyhemoglobin C (beta E6k): Two Quaternary States (r2 And R3) In One Crystal" 100.00 146 99.32 100.00 3.04e-100 PDB 1YG5 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37h Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 100.00 146 98.63 99.32 1.04e-98 PDB 1YGD "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betaw37e Alpha Zinc Beta Oxy (10 Test Sets)" 100.00 146 98.63 99.32 7.31e-99 PDB 1YGF "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betah97a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 100.00 146 98.63 99.32 1.95e-99 PDB 1YH9 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 100.00 146 100.00 100.00 6.17e-101 PDB 1YHE "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (5.0mm Ihp, 20% Peg) (10 Test Sets)" 100.00 146 100.00 100.00 6.17e-101 PDB 1YHR "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (10.0mm Ihp, 20% Peg) (10 Test Sets)" 100.00 146 100.00 100.00 6.17e-101 PDB 1YIE "T-to-thigh Quaternary Transitions In Human Hemoglobin: Betaw37a Oxy (2.2mm Ihp, 13% Peg) (1 Test Set)" 100.00 146 98.63 99.32 4.99e-99 PDB 1YIH "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap100a Oxy (2.2mm Ihp, 20% Peg) (1 Test Set)" 100.00 146 98.63 99.32 1.66e-99 PDB 1YVQ "The Low Salt (Peg) Crystal Structure Of Co Hemoglobin E (Betae26k) Approaching Physiological Ph (Ph 7.5)" 100.00 146 99.32 100.00 3.04e-100 PDB 1YVT "The High Salt (Phosphate) Crystal Structure Of Co Hemoglobin E (Glu26lys) At Physiological Ph (Ph 7.35)" 100.00 146 99.32 100.00 3.04e-100 PDB 1YZI "A Novel Quaternary Structure Of Human Carbonmonoxy Hemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 2D5Z "Crystal Structure Of T-State Human Hemoglobin Complexed With Three L35 Molecules" 100.00 146 100.00 100.00 6.17e-101 PDB 2D60 "Crystal Structure Of Deoxy Human Hemoglobin Complexed With Two L35 Molecules" 100.00 146 100.00 100.00 6.17e-101 PDB 2DN1 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Oxy Form" 100.00 146 100.00 100.00 6.17e-101 PDB 2DN2 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Deoxy Form" 100.00 146 100.00 100.00 6.17e-101 PDB 2DN3 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Carbonmonoxy Form" 100.00 146 100.00 100.00 6.17e-101 PDB 2DXM "Neutron Structure Analysis Of Deoxy Human Hemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 2H35 "Solution Structure Of Human Normal Adult Hemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 2HBC "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" 100.00 146 100.00 100.00 6.17e-101 PDB 2HBD "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 146 100.00 100.00 6.17e-101 PDB 2HBE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 146 100.00 100.00 6.17e-101 PDB 2HBF "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 146 100.00 100.00 6.17e-101 PDB 2HBS "The High Resolution Crystal Structure Of Deoxyhemoglobin S" 100.00 146 99.32 99.32 8.59e-100 PDB 2HCO "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" 100.00 146 100.00 100.00 6.17e-101 PDB 2HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 100.00 146 100.00 100.00 6.17e-101 PDB 2HHD "Oxygen Affinity Modulation By The N-Termini Of The Beta- Chains In Human And Bovine Hemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 2HHE "Oxygen Affinity Modulation By The N-Termini Of The Beta Chains In Human And Bovine Hemoglobin" 98.63 145 100.00 100.00 1.48e-99 PDB 2M6Z "Refined Solution Structure Of Human Adult Hemoglobin In The Carbonmonoxy Form" 100.00 146 100.00 100.00 6.17e-101 PDB 2W6V "Structure Of Human Deoxy Hemoglobin A In Complex With Xenon" 100.00 146 100.00 100.00 6.17e-101 PDB 2W72 "Deoxygenated Structure Of A Distal Site Hemoglobin Mutant Plus Xe" 100.00 146 97.95 98.63 4.57e-99 PDB 2YRS "Human Hemoglobin D Los Angeles: Crystal Structure" 100.00 146 99.32 100.00 1.61e-100 PDB 3B75 "Crystal Structure Of Glycated Human Haemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 3D17 "A Triply Ligated Crystal Structure Of Relaxed State Human Hemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 3D7O "Human Hemoglobin, Nitrogen Dioxide Anion Modified" 100.00 146 100.00 100.00 6.17e-101 PDB 3DUT "The High Salt (Phosphate) Crystal Structure Of Deoxy Hemoglobin E (Glu26lys) At Physiological Ph (Ph 7.35)" 100.00 146 99.32 100.00 3.04e-100 PDB 3HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 100.00 146 100.00 100.00 6.17e-101 PDB 3HXN "The Structure Of Human Carbonmonoxyhemoglobin Complex To Ihp At 2.0 Angstrons Resolution." 100.00 146 100.00 100.00 6.17e-101 PDB 3IC0 "Crystal Structure Of Liganded Hemoglobin In Complex With A Potent Antisickling Agent, Inn-298" 100.00 146 100.00 100.00 6.17e-101 PDB 3IC2 "Crystal Structure Of Liganded Hemoglobin In Complex With A Potent Antisickling Agent, Inn-266" 100.00 146 100.00 100.00 6.17e-101 PDB 3KMF "Room Temperature Time-Of-Flight Neutron Diffraction Study Of Deoxy Human Normal Adult Hemoglobin" 99.32 146 100.00 100.00 3.55e-100 PDB 3NL7 "Human Hemoglobin A Mutant Beta H63w Carbonmonoxy-Form" 100.00 146 99.32 99.32 2.27e-99 PDB 3NMM "Human Hemoglobin A Mutant Alpha H58w Deoxy-Form" 100.00 146 100.00 100.00 6.17e-101 PDB 3ODQ "Structure Of A Crystal Form Of Human Methemoglobin Indicative Of Fiber Formation" 100.00 146 100.00 100.00 6.17e-101 PDB 3ONZ "Human Tetrameric Hemoglobin: Proximal Nitrite Ligand At Beta" 100.00 146 100.00 100.00 6.17e-101 PDB 3OO4 "R-State Human Hemoglobin: Nitriheme Modified At Alpha" 100.00 146 100.00 100.00 6.17e-101 PDB 3OO5 "R-State Human Hemoglobin: Nitriheme Modified" 100.00 146 100.00 100.00 6.17e-101 PDB 3P5Q "Ferric R-State Human Aquomethemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 3QJB "Human Hemoglobin A Mutant Alpha H58l Carbonmonoxy-Form" 100.00 146 100.00 100.00 6.17e-101 PDB 3QJC "Human Hemoglobin A Mutant Beta H63l Carbonmonoxy-Form" 100.00 146 99.32 99.32 1.53e-99 PDB 3QJD "Human Hemoglobin A Mutant Alpha H58l Deoxy-Form" 100.00 146 100.00 100.00 6.17e-101 PDB 3QJE "Human Hemoglobin A Mutant Beta H63l Deoxy-Form" 100.00 146 99.32 99.32 1.53e-99 PDB 3R5I "Crystal Structure Of Liganded Hemoglobin Complexed With A Potent Antisickling Agent, Inn-312" 100.00 146 100.00 100.00 6.17e-101 PDB 3S65 "Structures And Oxygen Affinities Of Crystalline Human Hemoglobin C (Beta6 Lys) In The R2 Quaternary Structures" 100.00 146 99.32 100.00 3.04e-100 PDB 3S66 "Structures And Oxygen Affinities Of Crystalline Human Hemoglobin C (Beta6 Lys) In The R Quaternary Structures" 100.00 146 99.32 100.00 3.04e-100 PDB 3SZK "Crystal Structure Of Human Methaemoglobin Complexed With The First Neat Domain Of Isdh From Staphylococcus Aureus" 100.00 146 100.00 100.00 6.17e-101 PDB 3W4U "Human Zeta-2 Beta-2-s Hemoglobin" 100.00 146 99.32 99.32 8.59e-100 PDB 3WCP "Deoxyhemoglobin Sh-drug Complex" 100.00 146 99.32 99.32 1.91e-99 PDB 3WHM "Structure Of Hemoglobin Complex With 18-crown-6" 100.00 146 100.00 100.00 6.17e-101 PDB 4FC3 "Crystal Structure Of Human Methaemoglobin Complexed With The Second Neat Domain Of Isdh From Staphylococcus Aureus" 100.00 146 100.00 100.00 6.17e-101 PDB 4HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 100.00 146 100.00 100.00 6.17e-101 PDB 4IJ2 "Human Methemoglobin In Complex With The Second And Third Neat Domains Of Isdh From Staphylococcus Aureus" 100.00 146 100.00 100.00 6.17e-101 PDB 4L7Y "Deoxygenated Hb In Complex With The Allosteric Effectors, Irl2500 And 2,3-dpg" 100.00 146 100.00 100.00 6.17e-101 PDB 4M4A "Human Hemoglobin Nitromethane Modified" 100.00 146 100.00 100.00 6.17e-101 PDB 4M4B "Human Hemoglobin Nitroethane Modified" 100.00 146 100.00 100.00 6.17e-101 PDB 4MQC "Carbonmonoxy Structure Of Hemoglobin Evans Alphav62mbetawt" 100.00 146 100.00 100.00 6.17e-101 PDB 4MQG "Structure Of Carbonmonoxy Adult Hemoglobin Bristol-alesha Alphawtbetav67m" 100.00 146 99.32 100.00 1.37e-100 PDB 4MQH "Structure Of Aquomet Hemoglobin Evans Alphav62mbetawt" 100.00 146 100.00 100.00 6.17e-101 PDB 4MQI "Structure Of Aquomet Hemoglobin Bristol-alesha Alphawtbetav67m" 100.00 146 99.32 100.00 1.37e-100 PDB 4N7N "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Full-liganded Human Haemoglobin " 100.00 146 100.00 100.00 6.17e-101 PDB 4N7O "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Half-liganded Human Haemoglobin " 100.00 146 100.00 100.00 6.17e-101 PDB 4N7P "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Half-liganded Human Haemoglobin " 100.00 146 100.00 100.00 6.17e-101 PDB 4N8T "Human Hemoglobin Nitric Oxide Adduct" 100.00 146 100.00 100.00 6.17e-101 PDB 4NI0 "Quaternary R3 Co-liganded Hemoglobin Structure In Complex With A Thiol Containing Compound" 100.00 146 100.00 100.00 6.17e-101 PDB 4NI1 "Qauternary R Co-liganded Hemoglobin Structure In Complex With A Thiol Containing Compound" 100.00 146 100.00 100.00 6.17e-101 PDB 4WJG "Structure Of T. Brucei Haptoglobin-hemoglobin Receptor Binding To Human Haptoglobin-hemoglobin" 100.00 146 100.00 100.00 6.17e-101 PDB 6HBW "Crystal Structure Of Deoxy-human Hemoglobin Beta6 Glu->trp" 100.00 146 99.32 99.32 1.73e-99 DBJ BAG34767 "unnamed protein product [Homo sapiens]" 100.00 147 100.00 100.00 5.85e-101 EMBL CAA23756 "unnamed protein product [Homo sapiens]" 100.00 147 100.00 100.00 5.85e-101 EMBL CAA23758 "beta globin [Homo sapiens]" 100.00 147 100.00 100.00 5.85e-101 EMBL CAA23759 "unnamed protein product [Homo sapiens]" 100.00 147 98.63 98.63 5.05e-99 EMBL CAA43421 "beta-globin [Gorilla gorilla]" 82.19 121 99.17 100.00 4.37e-80 EMBL CAG38767 "HBB [Homo sapiens]" 100.00 147 100.00 100.00 5.85e-101 GB AAA16334 "beta-globin [Homo sapiens]" 100.00 147 100.00 100.00 5.85e-101 GB AAA21100 "beta-globin [Homo sapiens]" 100.00 147 100.00 100.00 5.85e-101 GB AAA21101 "beta-globin [Homo sapiens]" 100.00 147 100.00 100.00 5.85e-101 GB AAA21102 "beta-globin [Homo sapiens]" 100.00 147 100.00 100.00 5.85e-101 GB AAA21103 "beta-globin [Homo sapiens]" 100.00 147 100.00 100.00 5.85e-101 PRF 0404170B "hemoglobin beta" 100.00 146 98.63 98.63 5.69e-99 PRF 0907233B "hemoglobin beta" 100.00 146 100.00 100.00 6.17e-101 REF NP_000509 "hemoglobin subunit beta [Homo sapiens]" 100.00 147 100.00 100.00 5.85e-101 REF XP_002822173 "PREDICTED: hemoglobin subunit beta isoform X2 [Pongo abelii]" 100.00 147 98.63 98.63 5.39e-99 REF XP_003819077 "PREDICTED: hemoglobin subunit beta [Pan paniscus]" 100.00 147 100.00 100.00 5.85e-101 REF XP_004050595 "PREDICTED: hemoglobin subunit beta [Gorilla gorilla gorilla]" 95.21 143 99.28 100.00 4.51e-95 REF XP_004090697 "PREDICTED: LOW QUALITY PROTEIN: hemoglobin subunit beta [Nomascus leucogenys]" 100.00 147 97.95 97.95 2.96e-98 SP P02024 "RecName: Full=Hemoglobin subunit beta; AltName: Full=Beta-globin; AltName: Full=Hemoglobin beta chain [Gorilla gorilla gorilla]" 100.00 147 99.32 100.00 2.34e-100 SP P02025 "RecName: Full=Hemoglobin subunit beta; AltName: Full=Beta-globin; AltName: Full=Hemoglobin beta chain [Hylobates lar]" 100.00 146 98.63 98.63 4.99e-99 SP P02032 "RecName: Full=Hemoglobin subunit beta; AltName: Full=Beta-globin; AltName: Full=Hemoglobin beta chain [Semnopithecus entellus]" 100.00 146 97.26 98.63 4.58e-98 SP P68871 "RecName: Full=Hemoglobin subunit beta; AltName: Full=Beta-globin; AltName: Full=Hemoglobin beta chain; Contains: RecName: Full=" 100.00 147 100.00 100.00 5.85e-101 SP P68872 "RecName: Full=Hemoglobin subunit beta; AltName: Full=Beta-globin; AltName: Full=Hemoglobin beta chain [Pan paniscus]" 100.00 147 100.00 100.00 5.85e-101 stop_ save_ save_human_normal_adult_hemoglobin_beta_chain_in_deoxy_form _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'deoxy-Hb A beta' _Molecular_mass 64000 _Mol_thiol_state 'all free' loop_ _Biological_function 'oxygen transport' stop_ _Details . _Residue_count 146 _Mol_residue_sequence ; VHLTPEEKSAVTALWGKVNV DEVGGEALGRLLVVYPWTQR FFESFGDLSTPDAVMGNPKV KAHGKKVLGAFSDGLAHLDN LKGTFATLSELHCDKLHVDP ENFRLLGNVLVCVLAHHFGK EFTPPVQAAYQKVVAGVANA LAHKYH ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 HIS 3 LEU 4 THR 5 PRO 6 GLU 7 GLU 8 LYS 9 SER 10 ALA 11 VAL 12 THR 13 ALA 14 LEU 15 TRP 16 GLY 17 LYS 18 VAL 19 ASN 20 VAL 21 ASP 22 GLU 23 VAL 24 GLY 25 GLY 26 GLU 27 ALA 28 LEU 29 GLY 30 ARG 31 LEU 32 LEU 33 VAL 34 VAL 35 TYR 36 PRO 37 TRP 38 THR 39 GLN 40 ARG 41 PHE 42 PHE 43 GLU 44 SER 45 PHE 46 GLY 47 ASP 48 LEU 49 SER 50 THR 51 PRO 52 ASP 53 ALA 54 VAL 55 MET 56 GLY 57 ASN 58 PRO 59 LYS 60 VAL 61 LYS 62 ALA 63 HIS 64 GLY 65 LYS 66 LYS 67 VAL 68 LEU 69 GLY 70 ALA 71 PHE 72 SER 73 ASP 74 GLY 75 LEU 76 ALA 77 HIS 78 LEU 79 ASP 80 ASN 81 LEU 82 LYS 83 GLY 84 THR 85 PHE 86 ALA 87 THR 88 LEU 89 SER 90 GLU 91 LEU 92 HIS 93 CYS 94 ASP 95 LYS 96 LEU 97 HIS 98 VAL 99 ASP 100 PRO 101 GLU 102 ASN 103 PHE 104 ARG 105 LEU 106 LEU 107 GLY 108 ASN 109 VAL 110 LEU 111 VAL 112 CYS 113 VAL 114 LEU 115 ALA 116 HIS 117 HIS 118 PHE 119 GLY 120 LYS 121 GLU 122 PHE 123 THR 124 PRO 125 PRO 126 VAL 127 GLN 128 ALA 129 ALA 130 TYR 131 GLN 132 LYS 133 VAL 134 VAL 135 ALA 136 GLY 137 VAL 138 ALA 139 ASN 140 ALA 141 LEU 142 ALA 143 HIS 144 LYS 145 TYR 146 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 Aug 9 10:17:59 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CHA CHA C . 0 . ? CHB CHB C . 0 . ? CHC CHC C . 0 . ? CHD CHD C . 0 . ? C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? CMA CMA C . 0 . ? CAA CAA C . 0 . ? CBA CBA C . 0 . ? CGA CGA C . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? CMB CMB C . 0 . ? CAB CAB C . 0 . ? CBB CBB C . 0 . ? C1C C1C C . 0 . ? C2C C2C C . 0 . ? C3C C3C C . 0 . ? C4C C4C C . 0 . ? CMC CMC C . 0 . ? CAC CAC C . 0 . ? CBC CBC C . 0 . ? C1D C1D C . 0 . ? C2D C2D C . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? CMD CMD C . 0 . ? CAD CAD C . 0 . ? CBD CBD C . 0 . ? CGD CGD C . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? NA NA N . 0 . ? NB NB N . 0 . ? NC NC N . 0 . ? ND ND N . 0 . ? FE FE FE . 0 . ? HHB HHB H . 0 . ? HHC HHC H . 0 . ? HHD HHD H . 0 . ? HMA HMA H . 0 . ? HMAA HMAA H . 0 . ? HMAB HMAB H . 0 . ? HAA HAA H . 0 . ? HAAA HAAA H . 0 . ? HBA HBA H . 0 . ? HBAA HBAA H . 0 . ? HMB HMB H . 0 . ? HMBA HMBA H . 0 . ? HMBB HMBB H . 0 . ? HAB HAB H . 0 . ? HBB HBB H . 0 . ? HBBA HBBA H . 0 . ? HMC HMC H . 0 . ? HMCA HMCA H . 0 . ? HMCB HMCB H . 0 . ? HAC HAC H . 0 . ? HBC HBC H . 0 . ? HBCA HBCA H . 0 . ? HMD HMD H . 0 . ? HMDA HMDA H . 0 . ? HMDB HMDB H . 0 . ? HAD HAD H . 0 . ? HADA HADA H . 0 . ? HBD HBD H . 0 . ? HBDA HBDA H . 0 . ? H2A H2A H . 0 . ? H2D H2D H . 0 . ? HHA HHA H . 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 CHA C1A ? ? DOUB CHA C4D ? ? SING CHA HHA ? ? SING CHB C4A ? ? DOUB CHB C1B ? ? SING CHB HHB ? ? SING CHC C4B ? ? DOUB CHC C1C ? ? SING CHC HHC ? ? DOUB CHD C4C ? ? SING CHD C1D ? ? SING CHD HHD ? ? DOUB C1A C2A ? ? SING C1A NA ? ? SING C2A C3A ? ? SING C2A CAA ? ? DOUB C3A C4A ? ? SING C3A CMA ? ? SING C4A NA ? ? SING CMA HMA ? ? SING CMA HMAA ? ? SING CMA HMAB ? ? SING CAA CBA ? ? SING CAA HAA ? ? SING CAA HAAA ? ? SING CBA CGA ? ? SING CBA HBA ? ? SING CBA HBAA ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING C1B C2B ? ? SING C1B NB ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B CAB ? ? DOUB C4B NB ? ? SING CMB HMB ? ? SING CMB HMBA ? ? SING CMB HMBB ? ? DOUB CAB CBB ? ? SING CAB HAB ? ? SING CBB HBB ? ? SING CBB HBBA ? ? SING C1C C2C ? ? SING C1C NC ? ? DOUB C2C C3C ? ? SING C2C CMC ? ? SING C3C C4C ? ? SING C3C CAC ? ? SING C4C NC ? ? SING CMC HMC ? ? SING CMC HMCA ? ? SING CMC HMCB ? ? DOUB CAC CBC ? ? SING CAC HAC ? ? SING CBC HBC ? ? SING CBC HBCA ? ? SING C1D C2D ? ? DOUB C1D ND ? ? DOUB C2D C3D ? ? SING C2D CMD ? ? SING C3D C4D ? ? SING C3D CAD ? ? SING C4D ND ? ? SING CMD HMD ? ? SING CMD HMDA ? ? SING CMD HMDB ? ? SING CAD CBD ? ? SING CAD HAD ? ? SING CAD HADA ? ? SING CBD CGD ? ? SING CBD HBD ? ? SING CBD HBDA ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2A H2A ? ? SING O2D H2D ? ? SING FE NA ? ? SING FE NB ? ? SING FE NC ? ? SING FE ND ? ? 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 $human_normal_adult_hemoglobin_alpha_chain_in_deoxy_form human 9606 Eukaryota Metazoa Homo sapiens $human_normal_adult_hemoglobin_beta_chain_in_deoxy_form 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 $human_normal_adult_hemoglobin_alpha_chain_in_deoxy_form 'recombinant technology' 'E. Coli' . . JM109 . $human_normal_adult_hemoglobin_beta_chain_in_deoxy_form 'recombinant technology' 'E. Coli' . . JM109 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_deoxy-Hb_A_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_normal_adult_hemoglobin_alpha_chain_in_deoxy_form 2 mM '[U-13C; U-15N; U-2H]' $human_normal_adult_hemoglobin_beta_chain_in_deoxy_form 2 mM . $HEM 4 mM . stop_ save_ save_deoxy-Hb_A_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_normal_adult_hemoglobin_alpha_chain_in_deoxy_form 2 mM . $human_normal_adult_hemoglobin_beta_chain_in_deoxy_form 2 mM '[U-13C; U-15N; U-2H]' $HEM 4 mM . stop_ save_ save_deoxy-Hb_A_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_normal_adult_hemoglobin_alpha_chain_in_deoxy_form 2 mM '[U-15N; U-2H]' $human_normal_adult_hemoglobin_beta_chain_in_deoxy_form 2 mM . $HEM 4 mM . stop_ save_ save_deoxy-Hb_A_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_normal_adult_hemoglobin_alpha_chain_in_deoxy_form 2 mM . $human_normal_adult_hemoglobin_beta_chain_in_deoxy_form 2 mM '[U-15N; U-2H]' $HEM 2 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance_DRX _Field_strength 600 _Details ; Bruker Avance DRX-600 spectrometer equipped with five RF channels using either room temperature or cryo probes ; save_ ############################# # NMR applied experiments # ############################# save_(1H_15N)-TROSY_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name (1H_15N)-TROSY_HSQC _Sample_label . save_ save_TROSY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCA _Sample_label . save_ save_TROSY-HNCOCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCOCA _Sample_label . save_ save_TROSY-HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCACB _Sample_label . save_ save_TROSY-HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(CO)CACB _Sample_label . save_ save_TROSY-HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCO _Sample_label . save_ save_3D_HSQC-NOESY-TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HSQC-NOESY-TROSY' _Sample_label . save_ save_(1H_15N)-TROSY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name (1H_15N)-TROSY_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 0.005 M pH 7 0.2 pH temperature 302 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 external indirect . . . 0.25144952 H2O H 1 protons ppm 4.76 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.10132905 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_deoxy-Hb_A_alpha_1 _Saveframe_category assigned_chemical_shifts _Details 'deoxy-Hb A alpha chain' loop_ _Sample_label $deoxy-Hb_A_1 $deoxy-Hb_A_2 $deoxy-Hb_A_3 $deoxy-Hb_A_4 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'globin subunit alpha one' _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 1 1 VAL CA C 57.37 0.20 1 2 1 1 VAL CB C 30.08 0.20 1 3 2 2 LEU H H 8.22 0.03 1 4 2 2 LEU C C 176.27 0.20 1 5 2 2 LEU CA C 54.29 0.20 1 6 2 2 LEU CB C 41.17 0.20 1 7 2 2 LEU N N 119.94 0.30 1 8 3 3 SER H H 9.83 0.03 1 9 3 3 SER CA C 56.86 0.20 1 10 3 3 SER CB C 63.15 0.20 1 11 3 3 SER N N 125.78 0.30 1 12 4 4 PRO C C 179.77 0.20 1 13 4 4 PRO CA C 66.51 0.20 1 14 4 4 PRO CB C 31.12 0.20 1 15 5 5 ALA H H 7.88 0.03 1 16 5 5 ALA C C 180.16 0.20 1 17 5 5 ALA CA C 54.78 0.20 1 18 5 5 ALA CB C 17.77 0.20 1 19 5 5 ALA N N 121.10 0.30 1 20 6 6 ASP H H 8.08 0.03 1 21 6 6 ASP C C 179.23 0.20 1 22 6 6 ASP CA C 57.44 0.20 1 23 6 6 ASP CB C 41.56 0.20 1 24 6 6 ASP N N 119.59 0.30 1 25 7 7 LYS H H 8.15 0.03 1 26 7 7 LYS C C 178.73 0.20 1 27 7 7 LYS CA C 61.01 0.20 1 28 7 7 LYS CB C 31.45 0.20 1 29 7 7 LYS N N 119.84 0.30 1 30 8 8 THR H H 8.06 0.03 1 31 8 8 THR C C 177.14 0.20 1 32 8 8 THR CA C 66.66 0.20 1 33 8 8 THR CB C 68.38 0.20 1 34 8 8 THR N N 117.47 0.30 1 35 9 9 ASN H H 8.34 0.03 1 36 9 9 ASN C C 177.86 0.20 1 37 9 9 ASN CA C 55.49 0.20 1 38 9 9 ASN CB C 37.89 0.20 1 39 9 9 ASN N N 122.50 0.30 1 40 10 10 VAL H H 8.43 0.03 1 41 10 10 VAL C C 177.59 0.20 1 42 10 10 VAL CA C 66.77 0.20 1 43 10 10 VAL CB C 30.77 0.20 1 44 10 10 VAL N N 120.83 0.30 1 45 11 11 LYS H H 7.98 0.03 1 46 11 11 LYS C C 180.43 0.20 1 47 11 11 LYS CA C 60.18 0.20 1 48 11 11 LYS CB C 31.83 0.20 1 49 11 11 LYS N N 119.62 0.30 1 50 12 12 ALA H H 8.15 0.03 1 51 12 12 ALA C C 181.09 0.20 1 52 12 12 ALA CA C 54.72 0.20 1 53 12 12 ALA CB C 17.53 0.20 1 54 12 12 ALA N N 123.09 0.30 1 55 13 13 ALA H H 8.02 0.03 1 56 13 13 ALA C C 179.48 0.20 1 57 13 13 ALA CA C 55.27 0.20 1 58 13 13 ALA CB C 17.56 0.20 1 59 13 13 ALA N N 121.69 0.30 1 60 14 14 TRP H H 8.92 0.03 1 61 14 14 TRP HE1 H 10.07 0.03 1 62 14 14 TRP C C 179.94 0.20 1 63 14 14 TRP CA C 59.73 0.20 1 64 14 14 TRP CB C 28.78 0.20 1 65 14 14 TRP N N 118.56 0.30 1 66 14 14 TRP NE1 N 131.03 0.30 1 67 15 15 GLY H H 7.96 0.03 1 68 15 15 GLY C C 176.24 0.20 1 69 15 15 GLY CA C 46.47 0.20 1 70 15 15 GLY N N 107.31 0.30 1 71 16 16 LYS H H 7.13 0.03 1 72 16 16 LYS C C 178.77 0.20 1 73 16 16 LYS CA C 56.23 0.20 1 74 16 16 LYS CB C 31.08 0.20 1 75 16 16 LYS N N 120.99 0.30 1 76 17 17 VAL H H 7.29 0.03 1 77 17 17 VAL C C 177.65 0.20 1 78 17 17 VAL CA C 66.02 0.20 1 79 17 17 VAL CB C 29.88 0.20 1 80 17 17 VAL N N 122.61 0.30 1 81 18 18 GLY H H 7.04 0.03 1 82 18 18 GLY CA C 46.85 0.20 1 83 18 18 GLY N N 104.00 0.30 1 84 19 19 ALA C C 178.30 0.20 1 85 19 19 ALA CA C 52.91 0.20 1 86 19 19 ALA CB C 17.31 0.20 1 87 20 20 HIS H H 7.68 0.03 1 88 20 20 HIS C C 173.92 0.20 1 89 20 20 HIS CA C 55.27 0.20 1 90 20 20 HIS CB C 28.02 0.20 1 91 20 20 HIS N N 116.51 0.30 1 92 21 21 ALA H H 6.72 0.03 1 93 21 21 ALA C C 178.05 0.20 1 94 21 21 ALA CA C 55.95 0.20 1 95 21 21 ALA CB C 17.31 0.20 1 96 21 21 ALA N N 122.96 0.30 1 97 22 22 GLY H H 8.16 0.03 1 98 22 22 GLY C C 176.56 0.20 1 99 22 22 GLY CA C 47.07 0.20 1 100 22 22 GLY N N 105.45 0.30 1 101 23 23 GLU H H 7.55 0.03 1 102 23 23 GLU C C 179.76 0.20 1 103 23 23 GLU CA C 58.68 0.20 1 104 23 23 GLU CB C 28.19 0.20 1 105 23 23 GLU N N 125.76 0.30 1 106 24 24 TYR H H 7.83 0.03 1 107 24 24 TYR C C 178.41 0.20 1 108 24 24 TYR CA C 56.89 0.20 1 109 24 24 TYR CB C 33.75 0.20 1 110 24 24 TYR N N 122.15 0.30 1 111 25 25 GLY H H 8.22 0.03 1 112 25 25 GLY C C 174.00 0.20 1 113 25 25 GLY CA C 45.77 0.20 1 114 25 25 GLY N N 108.67 0.30 1 115 26 26 ALA H H 7.19 0.03 1 116 26 26 ALA C C 178.58 0.20 1 117 26 26 ALA CA C 54.36 0.20 1 118 26 26 ALA CB C 17.87 0.20 1 119 26 26 ALA N N 122.15 0.30 1 120 27 27 GLU H H 7.54 0.03 1 121 27 27 GLU C C 178.16 0.20 1 122 27 27 GLU CA C 58.74 0.20 1 123 27 27 GLU CB C 28.54 0.20 1 124 27 27 GLU N N 120.80 0.30 1 125 28 28 ALA H H 7.96 0.03 1 126 28 28 ALA C C 179.36 0.20 1 127 28 28 ALA CA C 55.28 0.20 1 128 28 28 ALA CB C 16.65 0.20 1 129 28 28 ALA N N 122.74 0.30 1 130 29 29 LEU H H 6.62 0.03 1 131 29 29 LEU C C 176.54 0.20 1 132 29 29 LEU CA C 56.85 0.20 1 133 29 29 LEU CB C 39.57 0.20 1 134 29 29 LEU N N 117.09 0.30 1 135 30 30 GLU H H 7.56 0.03 1 136 30 30 GLU C C 179.95 0.20 1 137 30 30 GLU CA C 60.20 0.20 1 138 30 30 GLU CB C 28.70 0.20 1 139 30 30 GLU N N 119.61 0.30 1 140 31 31 ARG H H 8.52 0.03 1 141 31 31 ARG C C 178.77 0.20 1 142 31 31 ARG CA C 60.93 0.20 1 143 31 31 ARG CB C 27.13 0.20 1 144 31 31 ARG N N 117.18 0.30 1 145 32 32 MET H H 8.04 0.03 1 146 32 32 MET C C 177.88 0.20 1 147 32 32 MET CA C 60.58 0.20 1 148 32 32 MET CB C 32.01 0.20 1 149 32 32 MET N N 124.59 0.30 1 150 33 33 PHE H H 8.66 0.03 1 151 33 33 PHE C C 178.91 0.20 1 152 33 33 PHE CA C 58.81 0.20 1 153 33 33 PHE CB C 37.72 0.20 1 154 33 33 PHE N N 120.15 0.30 1 155 34 34 LEU H H 7.70 0.03 1 156 34 34 LEU C C 179.50 0.20 1 157 34 34 LEU CA C 56.68 0.20 1 158 34 34 LEU CB C 42.35 0.20 1 159 34 34 LEU N N 115.15 0.30 1 160 35 35 SER H H 8.15 0.03 1 161 35 35 SER C C 173.76 0.20 1 162 35 35 SER CA C 63.11 0.20 1 163 35 35 SER CB C 64.01 0.20 1 164 35 35 SER N N 114.91 0.30 1 165 36 36 PHE H H 8.64 0.03 1 166 36 36 PHE CA C 55.02 0.20 1 167 36 36 PHE CB C 39.15 0.20 1 168 36 36 PHE N N 119.08 0.30 1 169 37 37 PRO C C 180.97 0.20 1 170 37 37 PRO CA C 65.15 0.20 1 171 37 37 PRO CB C 31.80 0.20 1 172 38 38 THR H H 8.63 0.03 1 173 38 38 THR C C 178.25 0.20 1 174 38 38 THR CA C 66.81 0.20 1 175 38 38 THR N N 113.35 0.30 1 176 39 39 THR H H 9.16 0.03 1 177 39 39 THR C C 178.09 0.20 1 178 39 39 THR CA C 66.92 0.20 1 179 39 39 THR CB C 71.40 0.20 1 180 39 39 THR N N 118.50 0.30 1 181 40 40 LYS H H 8.10 0.03 1 182 40 40 LYS C C 180.75 0.20 1 183 40 40 LYS CA C 59.74 0.20 1 184 40 40 LYS CB C 31.36 0.20 1 185 40 40 LYS N N 120.26 0.30 1 186 41 41 THR H H 7.96 0.03 1 187 41 41 THR C C 175.42 0.20 1 188 41 41 THR CA C 64.67 0.20 1 189 41 41 THR CB C 69.02 0.20 1 190 41 41 THR N N 110.38 0.30 1 191 42 42 TYR H H 7.39 0.03 1 192 42 42 TYR C C 174.42 0.20 1 193 42 42 TYR CA C 60.27 0.20 1 194 42 42 TYR CB C 38.65 0.20 1 195 42 42 TYR N N 116.96 0.30 1 196 43 43 PHE H H 7.99 0.03 1 197 43 43 PHE CA C 55.34 0.20 1 198 43 43 PHE CB C 40.39 0.20 1 199 43 43 PHE N N 118.69 0.30 1 200 44 44 PRO C C 176.73 0.20 1 201 44 44 PRO CA C 65.35 0.20 1 202 44 44 PRO CB C 29.01 0.20 1 203 45 45 HIS H H 9.72 0.03 1 204 45 45 HIS C C 175.77 0.20 1 205 45 45 HIS CA C 55.51 0.20 1 206 45 45 HIS CB C 29.51 0.20 1 207 45 45 HIS N N 118.87 0.30 1 208 46 46 PHE H H 7.61 0.03 1 209 46 46 PHE C C 176.27 0.20 1 210 46 46 PHE CA C 55.05 0.20 1 211 46 46 PHE CB C 39.22 0.20 1 212 46 46 PHE N N 124.39 0.30 1 213 47 47 ASP H H 7.73 0.03 1 214 47 47 ASP C C 176.91 0.20 1 215 47 47 ASP CA C 53.66 0.20 1 216 47 47 ASP CB C 39.81 0.20 1 217 47 47 ASP N N 120.17 0.30 1 218 48 48 LEU H H 8.68 0.03 1 219 48 48 LEU CA C 53.65 0.20 1 220 48 48 LEU CB C 39.82 0.20 1 221 48 48 LEU N N 129.90 0.30 1 222 49 49 SER H H 8.27 0.03 1 223 49 49 SER C C 177.52 0.20 1 224 49 49 SER CA C 59.24 0.20 1 225 49 49 SER CB C 63.96 0.20 1 226 49 49 SER N N 118.77 0.30 1 227 50 50 HIS C C 177.34 0.20 1 228 50 50 HIS CA C 60.11 0.20 1 229 50 50 HIS CB C 28.07 0.20 1 230 51 51 GLY H H 8.89 0.03 1 231 51 51 GLY C C 174.39 0.20 1 232 51 51 GLY CA C 44.79 0.20 1 233 51 51 GLY N N 117.12 0.30 1 234 52 52 SER H H 7.43 0.03 1 235 52 52 SER C C 176.63 0.20 1 236 52 52 SER CA C 57.11 0.20 1 237 52 52 SER CB C 64.62 0.20 1 238 52 52 SER N N 116.27 0.30 1 239 53 53 ALA H H 9.08 0.03 1 240 53 53 ALA C C 181.57 0.20 1 241 53 53 ALA CA C 54.88 0.20 1 242 53 53 ALA CB C 17.79 0.20 1 243 53 53 ALA N N 132.14 0.30 1 244 54 54 GLN H H 8.25 0.03 1 245 54 54 GLN C C 179.44 0.20 1 246 54 54 GLN CA C 58.77 0.20 1 247 54 54 GLN CB C 28.36 0.20 1 248 54 54 GLN N N 120.33 0.30 1 249 55 55 VAL H H 7.41 0.03 1 250 55 55 VAL C C 177.87 0.20 1 251 55 55 VAL CA C 67.17 0.20 1 252 55 55 VAL CB C 31.11 0.20 1 253 55 55 VAL N N 122.98 0.30 1 254 56 56 LYS H H 7.81 0.03 1 255 56 56 LYS C C 180.50 0.20 1 256 56 56 LYS CA C 59.60 0.20 1 257 56 56 LYS CB C 31.34 0.20 1 258 56 56 LYS N N 120.95 0.30 1 259 57 57 GLY H H 8.22 0.03 1 260 57 57 GLY C C 176.81 0.20 1 261 57 57 GLY CA C 46.66 0.20 1 262 57 57 GLY N N 107.86 0.30 1 263 58 58 HIS H H 8.08 0.03 1 264 58 58 HIS C C 176.41 0.20 1 265 58 58 HIS CA C 59.36 0.20 1 266 58 58 HIS CB C 31.12 0.20 1 267 58 58 HIS N N 124.83 0.30 1 268 59 59 GLY H H 8.13 0.03 1 269 59 59 GLY C C 174.24 0.20 1 270 59 59 GLY CA C 45.75 0.20 1 271 59 59 GLY N N 106.87 0.30 1 272 60 60 LYS H H 6.82 0.03 1 273 60 60 LYS CA C 58.99 0.20 1 274 60 60 LYS CB C 31.25 0.20 1 275 60 60 LYS N N 120.73 0.30 1 276 66 66 LEU C C 178.41 0.20 1 277 66 66 LEU CA C 57.20 0.20 1 278 66 66 LEU CB C 39.79 0.20 1 279 67 67 THR H H 8.58 0.03 1 280 67 67 THR C C 177.05 0.20 1 281 67 67 THR CA C 66.60 0.20 1 282 67 67 THR CB C 68.02 0.20 1 283 67 67 THR N N 119.14 0.30 1 284 68 68 ASN H H 7.80 0.03 1 285 68 68 ASN C C 177.55 0.20 1 286 68 68 ASN CA C 56.56 0.20 1 287 68 68 ASN CB C 38.43 0.20 1 288 68 68 ASN N N 122.16 0.30 1 289 69 69 ALA H H 8.18 0.03 1 290 69 69 ALA C C 178.30 0.20 1 291 69 69 ALA CA C 55.75 0.20 1 292 69 69 ALA CB C 17.33 0.20 1 293 69 69 ALA N N 124.30 0.30 1 294 70 70 VAL H H 8.01 0.03 1 295 70 70 VAL C C 178.97 0.20 1 296 70 70 VAL CA C 66.61 0.20 1 297 70 70 VAL CB C 31.12 0.20 1 298 70 70 VAL N N 117.77 0.30 1 299 71 71 ALA H H 7.70 0.03 1 300 71 71 ALA C C 178.94 0.20 1 301 71 71 ALA CA C 53.96 0.20 1 302 71 71 ALA CB C 17.51 0.20 1 303 71 71 ALA N N 121.38 0.30 1 304 72 72 HIS H H 7.56 0.03 1 305 72 72 HIS C C 176.88 0.20 1 306 72 72 HIS CA C 54.86 0.20 1 307 72 72 HIS CB C 28.23 0.20 1 308 72 72 HIS N N 117.02 0.30 1 309 73 73 VAL H H 6.60 0.03 1 310 73 73 VAL C C 176.48 0.20 1 311 73 73 VAL CA C 65.06 0.20 1 312 73 73 VAL CB C 31.34 0.20 1 313 73 73 VAL N N 121.27 0.30 1 314 74 74 ASP H H 8.19 0.03 1 315 74 74 ASP C C 176.24 0.20 1 316 74 74 ASP CA C 55.32 0.20 1 317 74 74 ASP CB C 40.86 0.20 1 318 74 74 ASP N N 120.64 0.30 1 319 75 75 ASP H H 8.36 0.03 1 320 75 75 ASP C C 176.34 0.20 1 321 75 75 ASP CA C 52.97 0.20 1 322 75 75 ASP CB C 41.10 0.20 1 323 75 75 ASP N N 123.56 0.30 1 324 76 76 MET H H 8.69 0.03 1 325 76 76 MET CA C 61.75 0.20 1 326 76 76 MET CB C 32.49 0.20 1 327 76 76 MET N N 123.82 0.30 1 328 77 77 PRO C C 179.29 0.20 1 329 77 77 PRO CA C 66.45 0.20 1 330 77 77 PRO CB C 30.27 0.20 1 331 78 78 ASN H H 7.36 0.03 1 332 78 78 ASN C C 178.44 0.20 1 333 78 78 ASN CA C 55.71 0.20 1 334 78 78 ASN CB C 38.59 0.20 1 335 78 78 ASN N N 113.95 0.30 1 336 79 79 ALA H H 8.02 0.03 1 337 79 79 ALA C C 179.93 0.20 1 338 79 79 ALA CA C 55.01 0.20 1 339 79 79 ALA CB C 17.97 0.20 1 340 79 79 ALA N N 124.44 0.30 1 341 80 80 LEU H H 8.16 0.03 1 342 80 80 LEU C C 177.83 0.20 1 343 80 80 LEU CA C 53.95 0.20 1 344 80 80 LEU CB C 40.93 0.20 1 345 80 80 LEU N N 115.04 0.30 1 346 81 81 SER H H 7.28 0.03 1 347 81 81 SER CA C 62.33 0.20 1 348 81 81 SER CB C 63.07 0.20 1 349 81 81 SER N N 118.40 0.30 1 350 88 88 ALA C C 177.83 0.20 1 351 88 88 ALA CA C 53.70 0.20 1 352 88 88 ALA CB C 18.10 0.20 1 353 89 89 HIS H H 6.83 0.03 1 354 89 89 HIS CA C 54.85 0.20 1 355 89 89 HIS CB C 30.20 0.20 1 356 89 89 HIS N N 109.07 0.30 1 357 95 95 PRO C C 179.61 0.20 1 358 95 95 PRO CA C 65.90 0.20 1 359 95 95 PRO CB C 32.87 0.20 1 360 96 96 VAL H H 9.86 0.03 1 361 96 96 VAL CA C 66.40 0.20 1 362 96 96 VAL CB C 31.43 0.20 1 363 96 96 VAL N N 121.14 0.30 1 364 99 99 LYS C C 177.80 0.20 1 365 100 100 LEU H H 8.08 0.03 1 366 100 100 LEU CA C 57.64 0.20 1 367 100 100 LEU CB C 39.79 0.20 1 368 100 100 LEU N N 126.68 0.30 1 369 102 102 SER C C 175.36 0.20 1 370 102 102 SER CA C 64.10 0.20 1 371 102 102 SER CB C 62.20 0.20 1 372 103 103 HIS H H 7.92 0.03 1 373 103 103 HIS C C 177.03 0.20 1 374 103 103 HIS CA C 60.02 0.20 1 375 103 103 HIS CB C 30.89 0.20 1 376 103 103 HIS N N 121.39 0.30 1 377 104 104 CYS H H 7.68 0.03 1 378 104 104 CYS C C 178.03 0.20 1 379 104 104 CYS CA C 65.72 0.20 1 380 104 104 CYS CB C 27.44 0.20 1 381 104 104 CYS N N 115.88 0.30 1 382 105 105 LEU H H 8.70 0.03 1 383 105 105 LEU C C 177.70 0.20 1 384 105 105 LEU CA C 58.17 0.20 1 385 105 105 LEU CB C 40.74 0.20 1 386 105 105 LEU N N 126.34 0.30 1 387 106 106 LEU H H 7.98 0.03 1 388 106 106 LEU C C 178.37 0.20 1 389 106 106 LEU CA C 58.80 0.20 1 390 106 106 LEU CB C 40.94 0.20 1 391 106 106 LEU N N 122.29 0.30 1 392 107 107 VAL H H 8.03 0.03 1 393 107 107 VAL C C 176.66 0.20 1 394 107 107 VAL CA C 66.63 0.20 1 395 107 107 VAL CB C 31.56 0.20 1 396 107 107 VAL N N 118.51 0.30 1 397 108 108 THR H H 7.05 0.03 1 398 108 108 THR C C 176.13 0.20 1 399 108 108 THR CA C 67.46 0.20 1 400 108 108 THR CB C 68.28 0.20 1 401 108 108 THR N N 116.12 0.30 1 402 109 109 LEU H H 7.87 0.03 1 403 109 109 LEU C C 177.94 0.20 1 404 109 109 LEU CA C 58.33 0.20 1 405 109 109 LEU CB C 40.05 0.20 1 406 109 109 LEU N N 121.60 0.30 1 407 110 110 ALA H H 7.80 0.03 1 408 110 110 ALA C C 178.44 0.20 1 409 110 110 ALA CA C 55.16 0.20 1 410 110 110 ALA CB C 17.72 0.20 1 411 110 110 ALA N N 122.94 0.30 1 412 111 111 ALA H H 7.34 0.03 1 413 111 111 ALA C C 179.76 0.20 1 414 111 111 ALA CA C 53.04 0.20 1 415 111 111 ALA CB C 17.14 0.20 1 416 111 111 ALA N N 114.88 0.30 1 417 112 112 HIS H H 7.08 0.03 1 418 112 112 HIS C C 174.81 0.20 1 419 112 112 HIS CA C 56.68 0.20 1 420 112 112 HIS CB C 30.23 0.20 1 421 112 112 HIS N N 113.61 0.30 1 422 113 113 LEU H H 7.90 0.03 1 423 113 113 LEU CA C 52.20 0.20 1 424 113 113 LEU CB C 41.14 0.20 1 425 113 113 LEU N N 122.28 0.30 1 426 114 114 PRO C C 180.61 0.20 1 427 114 114 PRO CA C 65.54 0.20 1 428 114 114 PRO CB C 29.85 0.20 1 429 115 115 ALA H H 8.16 0.03 1 430 115 115 ALA C C 179.86 0.20 1 431 115 115 ALA CA C 54.11 0.20 1 432 115 115 ALA CB C 17.75 0.20 1 433 115 115 ALA N N 119.68 0.30 1 434 116 116 GLU H H 7.80 0.03 1 435 116 116 GLU C C 178.01 0.20 1 436 116 116 GLU CA C 57.36 0.20 1 437 116 116 GLU CB C 28.65 0.20 1 438 116 116 GLU N N 115.79 0.30 1 439 117 117 PHE H H 7.67 0.03 1 440 117 117 PHE C C 175.63 0.20 1 441 117 117 PHE CA C 57.61 0.20 1 442 117 117 PHE CB C 37.34 0.20 1 443 117 117 PHE N N 123.71 0.30 1 444 118 118 THR H H 7.97 0.03 1 445 118 118 THR CA C 60.50 0.20 1 446 118 118 THR CB C 67.44 0.20 1 447 118 118 THR N N 116.71 0.30 1 448 119 119 PRO C C 177.09 0.20 1 449 119 119 PRO CA C 66.74 0.20 1 450 119 119 PRO CB C 31.26 0.20 1 451 120 120 ALA H H 8.41 0.03 1 452 120 120 ALA C C 180.72 0.20 1 453 120 120 ALA CA C 54.64 0.20 1 454 120 120 ALA CB C 18.22 0.20 1 455 120 120 ALA N N 117.51 0.30 1 456 121 121 VAL H H 7.26 0.03 1 457 121 121 VAL C C 177.37 0.20 1 458 121 121 VAL CA C 66.99 0.20 1 459 121 121 VAL CB C 31.22 0.20 1 460 121 121 VAL N N 121.28 0.30 1 461 122 122 HIS H H 8.47 0.03 1 462 122 122 HIS C C 177.98 0.20 1 463 122 122 HIS CA C 57.52 0.20 1 464 122 122 HIS CB C 32.30 0.20 1 465 122 122 HIS N N 123.24 0.30 1 466 123 123 ALA H H 7.96 0.03 1 467 123 123 ALA C C 180.04 0.20 1 468 123 123 ALA CA C 55.97 0.20 1 469 123 123 ALA CB C 17.56 0.20 1 470 123 123 ALA N N 121.87 0.30 1 471 124 124 SER H H 8.20 0.03 1 472 124 124 SER C C 176.48 0.20 1 473 124 124 SER CA C 62.80 0.20 1 474 124 124 SER N N 116.58 0.30 1 475 125 125 LEU H H 9.27 0.03 1 476 125 125 LEU C C 179.04 0.20 1 477 125 125 LEU CA C 57.93 0.20 1 478 125 125 LEU CB C 42.24 0.20 1 479 125 125 LEU N N 122.79 0.30 1 480 126 126 ASP H H 8.62 0.03 1 481 126 126 ASP C C 180.18 0.20 1 482 126 126 ASP CA C 58.81 0.20 1 483 126 126 ASP CB C 42.53 0.20 1 484 126 126 ASP N N 121.87 0.30 1 485 127 127 LYS H H 8.21 0.03 1 486 127 127 LYS C C 180.40 0.20 1 487 127 127 LYS CA C 60.42 0.20 1 488 127 127 LYS CB C 32.06 0.20 1 489 127 127 LYS N N 119.30 0.30 1 490 128 128 PHE H H 8.99 0.03 1 491 128 128 PHE C C 176.84 0.20 1 492 128 128 PHE CA C 61.20 0.20 1 493 128 128 PHE CB C 39.55 0.20 1 494 128 128 PHE N N 123.73 0.30 1 495 129 129 LEU H H 8.89 0.03 1 496 129 129 LEU C C 180.72 0.20 1 497 129 129 LEU CA C 57.88 0.20 1 498 129 129 LEU CB C 39.18 0.20 1 499 129 129 LEU N N 122.40 0.30 1 500 130 130 ALA H H 8.30 0.03 1 501 130 130 ALA C C 180.89 0.20 1 502 130 130 ALA CA C 55.34 0.20 1 503 130 130 ALA CB C 17.23 0.20 1 504 130 130 ALA N N 125.68 0.30 1 505 131 131 SER H H 8.26 0.03 1 506 131 131 SER C C 177.33 0.20 1 507 131 131 SER CA C 62.62 0.20 1 508 131 131 SER N N 119.62 0.30 1 509 132 132 VAL H H 8.37 0.03 1 510 132 132 VAL CA C 66.90 0.20 1 511 132 132 VAL CB C 31.34 0.20 1 512 132 132 VAL N N 124.30 0.30 1 513 133 133 SER C C 176.48 0.20 1 514 133 133 SER CA C 63.85 0.20 1 515 133 133 SER CB C 62.58 0.20 1 516 134 134 THR H H 8.46 0.03 1 517 134 134 THR C C 177.30 0.20 1 518 134 134 THR CA C 66.75 0.20 1 519 134 134 THR CB C 68.42 0.20 1 520 134 134 THR N N 121.74 0.30 1 521 135 135 VAL H H 8.16 0.03 1 522 135 135 VAL CA C 67.12 0.20 1 523 135 135 VAL CB C 30.57 0.20 1 524 135 135 VAL N N 123.53 0.30 1 525 136 136 LEU C C 178.47 0.20 1 526 137 137 THR H H 7.35 0.03 1 527 137 137 THR C C 176.98 0.20 1 528 137 137 THR CA C 60.82 0.20 1 529 137 137 THR CB C 69.09 0.20 1 530 137 137 THR N N 107.42 0.30 1 531 138 138 SER H H 7.46 0.03 1 532 138 138 SER C C 176.52 0.20 1 533 138 138 SER CA C 61.88 0.20 1 534 138 138 SER CB C 63.32 0.20 1 535 138 138 SER N N 120.68 0.30 1 536 139 139 LYS H H 8.71 0.03 1 537 139 139 LYS C C 176.16 0.20 1 538 139 139 LYS CA C 54.79 0.20 1 539 139 139 LYS CB C 31.07 0.20 1 540 139 139 LYS N N 122.63 0.30 1 541 140 140 TYR H H 7.39 0.03 1 542 140 140 TYR C C 176.20 0.20 1 543 140 140 TYR CA C 62.01 0.20 1 544 140 140 TYR CB C 37.46 0.20 1 545 140 140 TYR N N 122.33 0.30 1 546 141 141 ARG H H 7.43 0.03 1 547 141 141 ARG CA C 56.62 0.20 1 548 141 141 ARG CB C 30.84 0.20 1 549 141 141 ARG N N 115.51 0.30 1 stop_ save_ save_deoxy-Hb_A_alpha_3 _Saveframe_category assigned_chemical_shifts _Details 'deoxy-Hb A alpha chain' loop_ _Sample_label $deoxy-Hb_A_1 $deoxy-Hb_A_2 $deoxy-Hb_A_3 $deoxy-Hb_A_4 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'globin subunit beta one' _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 2 2 HIS C C 174.40 0.20 1 2 2 2 HIS CA C 55.59 0.20 1 3 2 2 HIS CB C 30.02 0.20 1 4 3 3 LEU H H 8.28 0.03 1 5 3 3 LEU C C 177.78 0.20 1 6 3 3 LEU CA C 53.81 0.20 1 7 3 3 LEU CB C 43.47 0.20 1 8 3 3 LEU N N 126.95 0.30 1 9 4 4 THR H H 9.22 0.03 1 10 4 4 THR CA C 60.49 0.20 1 11 4 4 THR CB C 67.79 0.20 1 12 4 4 THR N N 116.63 0.30 1 13 5 5 PRO C C 180.03 0.20 1 14 5 5 PRO CA C 66.19 0.20 1 15 5 5 PRO CB C 30.88 0.20 1 16 6 6 GLU H H 8.63 0.03 1 17 6 6 GLU C C 180.37 0.20 1 18 6 6 GLU CA C 60.03 0.20 1 19 6 6 GLU CB C 28.29 0.20 1 20 6 6 GLU N N 118.61 0.30 1 21 7 7 GLU H H 7.75 0.03 1 22 7 7 GLU C C 178.92 0.20 1 23 7 7 GLU CA C 58.92 0.20 1 24 7 7 GLU CB C 30.53 0.20 1 25 7 7 GLU N N 122.93 0.30 1 26 8 8 LYS H H 8.55 0.03 1 27 8 8 LYS C C 179.60 0.20 1 28 8 8 LYS CA C 60.50 0.20 1 29 8 8 LYS CB C 31.60 0.20 1 30 8 8 LYS N N 119.85 0.30 1 31 9 9 SER H H 8.03 0.03 1 32 9 9 SER C C 176.62 0.20 1 33 9 9 SER CA C 61.40 0.20 1 34 9 9 SER CB C 62.40 0.20 1 35 9 9 SER N N 115.47 0.30 1 36 10 10 ALA H H 7.65 0.03 1 37 10 10 ALA C C 181.31 0.20 1 38 10 10 ALA CA C 54.85 0.20 1 39 10 10 ALA CB C 17.88 0.20 1 40 10 10 ALA N N 124.94 0.30 1 41 11 11 VAL H H 8.14 0.03 1 42 11 11 VAL C C 180.36 0.20 1 43 11 11 VAL CA C 65.92 0.20 1 44 11 11 VAL CB C 31.09 0.20 1 45 11 11 VAL N N 117.55 0.30 1 46 12 12 THR H H 8.33 0.03 1 47 12 12 THR C C 177.39 0.20 1 48 12 12 THR CA C 65.88 0.20 1 49 12 12 THR CB C 68.46 0.20 1 50 12 12 THR N N 116.51 0.30 1 51 13 13 ALA H H 8.35 0.03 1 52 13 13 ALA C C 181.08 0.20 1 53 13 13 ALA CA C 55.02 0.20 1 54 13 13 ALA CB C 17.61 0.20 1 55 13 13 ALA N N 126.62 0.30 1 56 14 14 LEU H H 7.24 0.03 1 57 14 14 LEU C C 179.35 0.20 1 58 14 14 LEU CA C 57.80 0.20 1 59 14 14 LEU CB C 40.83 0.20 1 60 14 14 LEU N N 118.66 0.30 1 61 15 15 TRP H H 8.03 0.03 1 62 15 15 TRP C C 179.31 0.20 1 63 15 15 TRP CA C 59.95 0.20 1 64 15 15 TRP CB C 28.38 0.20 1 65 15 15 TRP N N 119.23 0.30 1 66 16 16 GLY H H 7.67 0.03 1 67 16 16 GLY C C 175.04 0.20 1 68 16 16 GLY CA C 46.16 0.20 1 69 16 16 GLY N N 103.32 0.30 1 70 17 17 LYS H H 7.64 0.03 1 71 17 17 LYS C C 177.10 0.20 1 72 17 17 LYS CA C 55.84 0.20 1 73 17 17 LYS CB C 32.77 0.20 1 74 17 17 LYS N N 119.01 0.30 1 75 18 18 VAL H H 7.30 0.03 1 76 18 18 VAL C C 175.43 0.20 1 77 18 18 VAL CA C 62.80 0.20 1 78 18 18 VAL CB C 31.43 0.20 1 79 18 18 VAL N N 122.91 0.30 1 80 19 19 ASN H H 8.43 0.03 1 81 19 19 ASN C C 175.53 0.20 1 82 19 19 ASN CA C 51.54 0.20 1 83 19 19 ASN CB C 36.94 0.20 1 84 19 19 ASN N N 127.59 0.30 1 85 20 20 VAL H H 8.31 0.03 1 86 20 20 VAL C C 177.22 0.20 1 87 20 20 VAL CA C 66.10 0.20 1 88 20 20 VAL CB C 31.14 0.20 1 89 20 20 VAL N N 127.26 0.30 1 90 21 21 ASP H H 7.82 0.03 1 91 21 21 ASP C C 178.82 0.20 1 92 21 21 ASP CA C 57.18 0.20 1 93 21 21 ASP CB C 39.84 0.20 1 94 21 21 ASP N N 119.96 0.30 1 95 22 22 GLU H H 7.33 0.03 1 96 22 22 GLU C C 179.42 0.20 1 97 22 22 GLU CA C 58.18 0.20 1 98 22 22 GLU CB C 30.05 0.20 1 99 22 22 GLU N N 120.53 0.30 1 100 23 23 VAL H H 8.29 0.03 1 101 23 23 VAL C C 178.02 0.20 1 102 23 23 VAL CA C 65.92 0.20 1 103 23 23 VAL CB C 31.02 0.20 1 104 23 23 VAL N N 120.30 0.30 1 105 24 24 GLY H H 8.54 0.03 1 106 24 24 GLY C C 176.64 0.20 1 107 24 24 GLY CA C 48.06 0.20 1 108 24 24 GLY N N 110.02 0.30 1 109 25 25 GLY H H 7.82 0.03 1 110 25 25 GLY C C 176.66 0.20 1 111 25 25 GLY CA C 47.91 0.20 1 112 25 25 GLY N N 109.61 0.30 1 113 26 26 GLU H H 7.78 0.03 1 114 26 26 GLU C C 178.99 0.20 1 115 26 26 GLU CA C 59.08 0.20 1 116 26 26 GLU CB C 29.55 0.20 1 117 26 26 GLU N N 123.52 0.30 1 118 27 27 ALA H H 9.07 0.03 1 119 27 27 ALA CA C 55.37 0.20 1 120 27 27 ALA CB C 17.51 0.20 1 121 27 27 ALA N N 121.15 0.30 1 122 28 28 LEU C C 179.00 0.20 1 123 28 28 LEU CA C 57.66 0.20 1 124 28 28 LEU CB C 41.12 0.20 1 125 29 29 GLY H H 8.26 0.03 1 126 29 29 GLY C C 175.53 0.20 1 127 29 29 GLY CA C 47.90 0.20 1 128 29 29 GLY N N 105.49 0.30 1 129 30 30 ARG H H 8.45 0.03 1 130 30 30 ARG C C 178.62 0.20 1 131 30 30 ARG CA C 60.83 0.20 1 132 30 30 ARG CB C 30.06 0.20 1 133 30 30 ARG N N 118.25 0.30 1 134 31 31 LEU H H 8.52 0.03 1 135 31 31 LEU C C 177.19 0.20 1 136 31 31 LEU CA C 60.28 0.20 1 137 31 31 LEU CB C 41.97 0.20 1 138 31 31 LEU N N 122.40 0.30 1 139 32 32 LEU H H 7.52 0.03 1 140 32 32 LEU C C 178.67 0.20 1 141 32 32 LEU CA C 57.07 0.20 1 142 32 32 LEU CB C 41.80 0.20 1 143 32 32 LEU N N 116.88 0.30 1 144 33 33 VAL H H 7.63 0.03 1 145 33 33 VAL C C 177.35 0.20 1 146 33 33 VAL CA C 64.54 0.20 1 147 33 33 VAL CB C 32.48 0.20 1 148 33 33 VAL N N 117.90 0.30 1 149 34 34 VAL H H 8.80 0.03 1 150 34 34 VAL C C 175.71 0.20 1 151 34 34 VAL CA C 65.71 0.20 1 152 34 34 VAL CB C 31.44 0.20 1 153 34 34 VAL N N 120.26 0.30 1 154 35 35 TYR H H 7.60 0.03 1 155 35 35 TYR CA C 53.00 0.20 1 156 35 35 TYR CB C 36.48 0.20 1 157 35 35 TYR N N 117.08 0.30 1 158 36 36 PRO C C 178.12 0.20 1 159 36 36 PRO CA C 65.35 0.20 1 160 36 36 PRO CB C 31.32 0.20 1 161 37 37 TRP H H 7.15 0.03 1 162 37 37 TRP C C 178.47 0.20 1 163 37 37 TRP CA C 60.25 0.20 1 164 37 37 TRP CB C 25.53 0.20 1 165 37 37 TRP N N 119.04 0.30 1 166 38 38 THR H H 8.06 0.03 1 167 38 38 THR C C 175.56 0.20 1 168 38 38 THR CA C 65.37 0.20 1 169 38 38 THR CB C 70.01 0.20 1 170 38 38 THR N N 116.18 0.30 1 171 39 39 GLN H H 7.34 0.03 1 172 39 39 GLN C C 178.02 0.20 1 173 39 39 GLN CA C 57.50 0.20 1 174 39 39 GLN CB C 27.27 0.20 1 175 39 39 GLN N N 117.09 0.30 1 176 40 40 ARG H H 6.86 0.03 1 177 40 40 ARG CA C 57.21 0.20 1 178 40 40 ARG CB C 27.66 0.20 1 179 40 40 ARG N N 118.20 0.30 1 180 41 41 PHE C C 174.70 0.20 1 181 41 41 PHE CA C 57.26 0.20 1 182 41 41 PHE CB C 36.70 0.20 1 183 42 42 PHE H H 6.71 0.03 1 184 42 42 PHE C C 175.71 0.20 1 185 42 42 PHE CA C 55.70 0.20 1 186 42 42 PHE CB C 38.78 0.20 1 187 42 42 PHE N N 116.26 0.30 1 188 43 43 GLU H H 7.29 0.03 1 189 43 43 GLU CA C 59.11 0.20 1 190 43 43 GLU CB C 28.35 0.20 1 191 43 43 GLU N N 122.40 0.30 1 192 44 44 SER C C 175.82 0.20 1 193 44 44 SER CA C 59.39 0.20 1 194 44 44 SER CB C 62.66 0.20 1 195 45 45 PHE H H 7.88 0.03 1 196 45 45 PHE C C 175.94 0.20 1 197 45 45 PHE CA C 56.24 0.20 1 198 45 45 PHE CB C 35.62 0.20 1 199 45 45 PHE N N 122.73 0.30 1 200 46 46 GLY H H 7.31 0.03 1 201 46 46 GLY C C 172.83 0.20 1 202 46 46 GLY CA C 44.12 0.20 1 203 46 46 GLY N N 108.92 0.30 1 204 47 47 ASP H H 8.16 0.03 1 205 47 47 ASP C C 175.97 0.20 1 206 47 47 ASP CA C 55.34 0.20 1 207 47 47 ASP CB C 40.04 0.20 1 208 47 47 ASP N N 122.96 0.30 1 209 48 48 LEU H H 8.25 0.03 1 210 48 48 LEU C C 178.14 0.20 1 211 48 48 LEU CA C 52.57 0.20 1 212 48 48 LEU CB C 40.36 0.20 1 213 48 48 LEU N N 129.36 0.30 1 214 49 49 SER H H 8.04 0.03 1 215 49 49 SER CA C 61.96 0.20 1 216 49 49 SER CB C 63.83 0.20 1 217 49 49 SER N N 113.96 0.30 1 218 50 50 THR H H 6.96 0.03 1 219 50 50 THR C C 175.23 0.20 1 220 50 50 THR CA C 58.17 0.20 1 221 50 50 THR CB C 70.26 0.20 1 222 50 50 THR N N 112.27 0.30 1 223 52 52 ASP C C 179.48 0.20 1 224 52 52 ASP CA C 56.99 0.20 1 225 52 52 ASP CB C 39.87 0.20 1 226 53 53 ALA H H 7.68 0.03 1 227 53 53 ALA C C 180.61 0.20 1 228 53 53 ALA CA C 54.62 0.20 1 229 53 53 ALA CB C 17.86 0.20 1 230 53 53 ALA N N 124.76 0.30 1 231 54 54 VAL H H 7.78 0.03 1 232 54 54 VAL C C 178.62 0.20 1 233 54 54 VAL CA C 66.76 0.20 1 234 54 54 VAL CB C 31.26 0.20 1 235 54 54 VAL N N 117.84 0.30 1 236 55 55 MET H H 7.96 0.03 1 237 55 55 MET C C 178.85 0.20 1 238 55 55 MET CA C 55.19 0.20 1 239 55 55 MET CB C 28.13 0.20 1 240 55 55 MET N N 112.91 0.30 1 241 56 56 GLY H H 7.31 0.03 1 242 56 56 GLY C C 174.25 0.20 1 243 56 56 GLY CA C 44.08 0.20 1 244 56 56 GLY N N 103.98 0.30 1 245 57 57 ASN H H 7.13 0.03 1 246 57 57 ASN CA C 51.80 0.20 1 247 57 57 ASN CB C 38.54 0.20 1 248 57 57 ASN N N 124.68 0.30 1 249 58 58 PRO C C 179.83 0.20 1 250 58 58 PRO CA C 64.70 0.20 1 251 58 58 PRO CB C 31.42 0.20 1 252 59 59 LYS H H 7.76 0.03 1 253 59 59 LYS C C 179.42 0.20 1 254 59 59 LYS CA C 58.68 0.20 1 255 59 59 LYS CB C 29.42 0.20 1 256 59 59 LYS N N 120.38 0.30 1 257 60 60 VAL H H 7.31 0.03 1 258 60 60 VAL C C 178.21 0.20 1 259 60 60 VAL CA C 66.09 0.20 1 260 60 60 VAL CB C 30.98 0.20 1 261 60 60 VAL N N 123.64 0.30 1 262 61 61 LYS H H 7.24 0.03 1 263 61 61 LYS C C 179.56 0.20 1 264 61 61 LYS CA C 60.16 0.20 1 265 61 61 LYS CB C 31.33 0.20 1 266 61 61 LYS N N 119.24 0.30 1 267 62 62 ALA H H 7.58 0.03 1 268 62 62 ALA CA C 54.51 0.20 1 269 62 62 ALA CB C 17.46 0.20 1 270 62 62 ALA N N 121.65 0.30 1 271 64 64 GLY C C 175.56 0.20 1 272 64 64 GLY CA C 46.84 0.20 1 273 65 65 LYS H H 7.14 0.03 1 274 65 65 LYS CA C 59.36 0.20 1 275 65 65 LYS CB C 31.41 0.20 1 276 65 65 LYS N N 121.62 0.30 1 277 68 68 LEU CA C 56.29 0.20 1 278 68 68 LEU CB C 35.80 0.20 1 279 69 69 GLY H H 7.39 0.03 1 280 69 69 GLY CA C 44.23 0.20 1 281 69 69 GLY N N 109.16 0.30 1 282 71 71 PHE C C 176.64 0.20 1 283 71 71 PHE CA C 61.95 0.20 1 284 71 71 PHE CB C 40.02 0.20 1 285 72 72 SER H H 8.37 0.03 1 286 72 72 SER C C 177.65 0.20 1 287 72 72 SER CA C 61.38 0.20 1 288 72 72 SER CB C 62.81 0.20 1 289 72 72 SER N N 114.21 0.30 1 290 73 73 ASP H H 7.32 0.03 1 291 73 73 ASP C C 179.22 0.20 1 292 73 73 ASP CA C 56.92 0.20 1 293 73 73 ASP CB C 39.64 0.20 1 294 73 73 ASP N N 122.33 0.30 1 295 74 74 GLY H H 7.37 0.03 1 296 74 74 GLY C C 174.65 0.20 1 297 74 74 GLY CA C 46.75 0.20 1 298 74 74 GLY N N 107.83 0.30 1 299 75 75 LEU H H 6.99 0.03 1 300 75 75 LEU C C 178.01 0.20 1 301 75 75 LEU CA C 56.52 0.20 1 302 75 75 LEU CB C 39.59 0.20 1 303 75 75 LEU N N 119.88 0.30 1 304 76 76 ALA H H 6.82 0.03 1 305 76 76 ALA C C 177.40 0.20 1 306 76 76 ALA CA C 52.19 0.20 1 307 76 76 ALA CB C 17.97 0.20 1 308 76 76 ALA N N 119.64 0.30 1 309 77 77 HIS H H 7.38 0.03 1 310 77 77 HIS C C 176.00 0.20 1 311 77 77 HIS CA C 53.88 0.20 1 312 77 77 HIS CB C 29.43 0.20 1 313 77 77 HIS N N 119.64 0.30 1 314 78 78 LEU H H 7.53 0.03 1 315 78 78 LEU C C 177.86 0.20 1 316 78 78 LEU CA C 57.75 0.20 1 317 78 78 LEU CB C 41.20 0.20 1 318 78 78 LEU N N 120.95 0.30 1 319 79 79 ASP H H 8.32 0.03 1 320 79 79 ASP C C 176.21 0.20 1 321 79 79 ASP CA C 54.29 0.20 1 322 79 79 ASP CB C 39.96 0.20 1 323 79 79 ASP N N 116.27 0.30 1 324 80 80 ASN H H 7.88 0.03 1 325 80 80 ASN C C 176.39 0.20 1 326 80 80 ASN CA C 51.69 0.20 1 327 80 80 ASN CB C 37.73 0.20 1 328 80 80 ASN N N 120.23 0.30 1 329 81 81 LEU H H 8.62 0.03 1 330 81 81 LEU C C 179.62 0.20 1 331 81 81 LEU CA C 58.16 0.20 1 332 81 81 LEU CB C 41.81 0.20 1 333 81 81 LEU N N 126.84 0.30 1 334 82 82 LYS H H 8.52 0.03 1 335 82 82 LYS C C 179.02 0.20 1 336 82 82 LYS CA C 60.88 0.20 1 337 82 82 LYS CB C 30.79 0.20 1 338 82 82 LYS N N 118.99 0.30 1 339 83 83 GLY H H 7.30 0.03 1 340 83 83 GLY C C 177.04 0.20 1 341 83 83 GLY CA C 46.70 0.20 1 342 83 83 GLY N N 105.16 0.30 1 343 84 84 THR H H 7.28 0.03 1 344 84 84 THR C C 175.89 0.20 1 345 84 84 THR CA C 65.91 0.20 1 346 84 84 THR CB C 68.21 0.20 1 347 84 84 THR N N 118.67 0.30 1 348 85 85 PHE H H 7.24 0.03 1 349 85 85 PHE C C 174.79 0.20 1 350 85 85 PHE CA C 58.39 0.20 1 351 85 85 PHE CB C 37.27 0.20 1 352 85 85 PHE N N 116.25 0.30 1 353 86 86 ALA H H 6.96 0.03 1 354 86 86 ALA C C 179.73 0.20 1 355 86 86 ALA CA C 56.85 0.20 1 356 86 86 ALA CB C 17.82 0.20 1 357 86 86 ALA N N 125.47 0.30 1 358 87 87 THR H H 8.43 0.03 1 359 87 87 THR CA C 66.62 0.20 1 360 87 87 THR CB C 68.06 0.20 1 361 87 87 THR N N 115.31 0.30 1 362 93 93 CYS C C 176.73 0.20 1 363 93 93 CYS CA C 63.11 0.20 1 364 93 93 CYS CB C 25.58 0.20 1 365 94 94 ASP H H 8.93 0.03 1 366 94 94 ASP C C 177.10 0.20 1 367 94 94 ASP CA C 57.46 0.20 1 368 94 94 ASP CB C 40.78 0.20 1 369 94 94 ASP N N 117.16 0.30 1 370 95 95 LYS H H 8.16 0.03 1 371 95 95 LYS CA C 57.16 0.20 1 372 95 95 LYS N N 117.20 0.30 1 373 98 98 VAL CA C 68.00 0.20 1 374 98 98 VAL CB C 31.53 0.20 1 375 99 99 ASP N N 123.08 0.30 1 376 99 99 ASP CA C 58.50 0.20 1 377 99 99 ASP CB C 40.99 0.20 1 378 99 99 ASP H H 10.05 0.03 1 379 100 100 PRO C C 178.38 0.20 1 380 100 100 PRO CA C 63.37 0.20 1 381 100 100 PRO CB C 31.01 0.20 1 382 101 101 GLU H H 8.17 0.03 1 383 101 101 GLU CA C 59.08 0.20 1 384 101 101 GLU CB C 28.41 0.20 1 385 101 101 GLU N N 124.40 0.30 1 386 103 103 PHE C C 180.25 0.20 1 387 103 103 PHE CA C 59.21 0.20 1 388 103 103 PHE CB C 38.26 0.20 1 389 104 104 ARG H H 7.66 0.03 1 390 104 104 ARG C C 180.23 0.20 1 391 104 104 ARG CA C 59.62 0.20 1 392 104 104 ARG CB C 29.12 0.20 1 393 104 104 ARG N N 122.18 0.30 1 394 105 105 LEU H H 8.39 0.03 1 395 105 105 LEU C C 180.75 0.20 1 396 105 105 LEU CA C 58.64 0.20 1 397 105 105 LEU CB C 43.29 0.20 1 398 105 105 LEU N N 121.33 0.30 1 399 106 106 LEU H H 9.66 0.03 1 400 106 106 LEU C C 179.90 0.20 1 401 106 106 LEU CA C 59.34 0.20 1 402 106 106 LEU CB C 42.58 0.20 1 403 106 106 LEU N N 119.81 0.30 1 404 107 107 GLY H H 8.99 0.03 1 405 107 107 GLY C C 175.70 0.20 1 406 107 107 GLY CA C 48.52 0.20 1 407 107 107 GLY N N 108.06 0.30 1 408 108 108 ASN H H 8.13 0.03 1 409 108 108 ASN C C 179.85 0.20 1 410 108 108 ASN CA C 56.20 0.20 1 411 108 108 ASN CB C 37.52 0.20 1 412 108 108 ASN N N 121.33 0.30 1 413 109 109 VAL H H 9.06 0.03 1 414 109 109 VAL C C 179.02 0.20 1 415 109 109 VAL CA C 68.24 0.20 1 416 109 109 VAL CB C 31.76 0.20 1 417 109 109 VAL N N 123.30 0.30 1 418 110 110 LEU H H 10.03 0.03 1 419 110 110 LEU C C 178.79 0.20 1 420 110 110 LEU CA C 58.86 0.20 1 421 110 110 LEU CB C 41.34 0.20 1 422 110 110 LEU N N 123.01 0.30 1 423 111 111 VAL H H 8.33 0.03 1 424 111 111 VAL C C 177.66 0.20 1 425 111 111 VAL CA C 68.46 0.20 1 426 111 111 VAL CB C 31.15 0.20 1 427 111 111 VAL N N 119.72 0.30 1 428 112 112 CYS H H 7.92 0.03 1 429 112 112 CYS C C 176.94 0.20 1 430 112 112 CYS CA C 65.20 0.20 1 431 112 112 CYS CB C 26.76 0.20 1 432 112 112 CYS N N 117.90 0.30 1 433 113 113 VAL H H 8.77 0.03 1 434 113 113 VAL C C 178.30 0.20 1 435 113 113 VAL CA C 66.66 0.20 1 436 113 113 VAL CB C 31.10 0.20 1 437 113 113 VAL N N 121.72 0.30 1 438 114 114 LEU H H 8.62 0.03 1 439 114 114 LEU C C 178.90 0.20 1 440 114 114 LEU CA C 57.84 0.20 1 441 114 114 LEU CB C 40.80 0.20 1 442 114 114 LEU N N 122.18 0.30 1 443 115 115 ALA H H 7.38 0.03 1 444 115 115 ALA C C 178.64 0.20 1 445 115 115 ALA CA C 54.94 0.20 1 446 115 115 ALA CB C 19.44 0.20 1 447 115 115 ALA N N 122.86 0.30 1 448 116 116 HIS H H 8.00 0.03 1 449 116 116 HIS C C 178.56 0.20 1 450 116 116 HIS CA C 57.93 0.20 1 451 116 116 HIS CB C 30.86 0.20 1 452 116 116 HIS N N 118.05 0.30 1 453 117 117 HIS H H 8.35 0.03 1 454 117 117 HIS C C 177.32 0.20 1 455 117 117 HIS CA C 58.73 0.20 1 456 117 117 HIS CB C 29.78 0.20 1 457 117 117 HIS N N 117.47 0.30 1 458 118 118 PHE H H 8.33 0.03 1 459 118 118 PHE C C 177.84 0.20 1 460 118 118 PHE CA C 59.56 0.20 1 461 118 118 PHE CB C 39.21 0.20 1 462 118 118 PHE N N 115.33 0.30 1 463 119 119 GLY H H 8.41 0.03 1 464 119 119 GLY C C 176.43 0.20 1 465 119 119 GLY CA C 47.69 0.20 1 466 119 119 GLY N N 114.92 0.30 1 467 120 120 LYS H H 8.62 0.03 1 468 120 120 LYS C C 178.36 0.20 1 469 120 120 LYS CA C 57.99 0.20 1 470 120 120 LYS CB C 31.27 0.20 1 471 120 120 LYS N N 126.33 0.30 1 472 121 121 GLU H H 7.69 0.03 1 473 121 121 GLU C C 177.73 0.20 1 474 121 121 GLU CA C 57.47 0.20 1 475 121 121 GLU CB C 29.69 0.20 1 476 121 121 GLU N N 117.93 0.30 1 477 122 122 PHE H H 8.47 0.03 1 478 122 122 PHE C C 174.83 0.20 1 479 122 122 PHE CA C 56.55 0.20 1 480 122 122 PHE CB C 37.30 0.20 1 481 122 122 PHE N N 127.15 0.30 1 482 123 123 THR H H 6.99 0.03 1 483 123 123 THR CA C 60.49 0.20 1 484 123 123 THR CB C 66.98 0.20 1 485 123 123 THR N N 114.46 0.30 1 486 125 125 PRO C C 180.30 0.20 1 487 125 125 PRO CA C 65.88 0.20 1 488 125 125 PRO CB C 30.74 0.20 1 489 126 126 VAL H H 6.92 0.03 1 490 126 126 VAL C C 178.35 0.20 1 491 126 126 VAL CA C 66.73 0.20 1 492 126 126 VAL CB C 30.32 0.20 1 493 126 126 VAL N N 122.60 0.30 1 494 127 127 GLN H H 8.32 0.03 1 495 127 127 GLN C C 178.21 0.20 1 496 127 127 GLN CA C 58.97 0.20 1 497 127 127 GLN CB C 25.26 0.20 1 498 127 127 GLN N N 120.85 0.30 1 499 128 128 ALA H H 8.03 0.03 1 500 128 128 ALA C C 180.28 0.20 1 501 128 128 ALA CA C 55.55 0.20 1 502 128 128 ALA CB C 17.25 0.20 1 503 128 128 ALA N N 122.78 0.30 1 504 129 129 ALA H H 7.35 0.03 1 505 129 129 ALA C C 179.98 0.20 1 506 129 129 ALA CA C 55.25 0.20 1 507 129 129 ALA CB C 17.66 0.20 1 508 129 129 ALA N N 121.14 0.30 1 509 130 130 TYR H H 8.34 0.03 1 510 130 130 TYR C C 179.59 0.20 1 511 130 130 TYR CA C 64.70 0.20 1 512 130 130 TYR CB C 38.60 0.20 1 513 130 130 TYR N N 117.16 0.30 1 514 131 131 GLN H H 9.60 0.03 1 515 131 131 GLN C C 180.01 0.20 1 516 131 131 GLN CA C 58.71 0.20 1 517 131 131 GLN CB C 25.78 0.20 1 518 131 131 GLN N N 121.43 0.30 1 519 132 132 LYS H H 7.64 0.03 1 520 132 132 LYS C C 180.41 0.20 1 521 132 132 LYS CA C 60.28 0.20 1 522 132 132 LYS N N 121.93 0.30 1 523 133 133 VAL H H 7.82 0.03 1 524 133 133 VAL C C 178.40 0.20 1 525 133 133 VAL CA C 67.55 0.20 1 526 133 133 VAL CB C 31.09 0.20 1 527 133 133 VAL N N 120.94 0.30 1 528 134 134 VAL H H 9.25 0.03 1 529 134 134 VAL C C 179.91 0.20 1 530 134 134 VAL CA C 66.60 0.20 1 531 134 134 VAL CB C 30.73 0.20 1 532 134 134 VAL N N 115.12 0.30 1 533 135 135 ALA H H 7.92 0.03 1 534 135 135 ALA C C 180.36 0.20 1 535 135 135 ALA CA C 55.07 0.20 1 536 135 135 ALA CB C 17.88 0.20 1 537 135 135 ALA N N 126.10 0.30 1 538 136 136 GLY H H 8.16 0.03 1 539 136 136 GLY C C 177.55 0.20 1 540 136 136 GLY CA C 46.89 0.20 1 541 136 136 GLY N N 108.66 0.30 1 542 137 137 VAL H H 8.75 0.03 1 543 137 137 VAL C C 176.74 0.20 1 544 137 137 VAL CA C 66.94 0.20 1 545 137 137 VAL CB C 30.74 0.20 1 546 137 137 VAL N N 125.72 0.30 1 547 138 138 ALA H H 7.92 0.03 1 548 138 138 ALA C C 179.33 0.20 1 549 138 138 ALA CA C 55.55 0.20 1 550 138 138 ALA CB C 17.42 0.20 1 551 138 138 ALA N N 122.43 0.30 1 552 139 139 ASN H H 8.16 0.03 1 553 139 139 ASN C C 178.60 0.20 1 554 139 139 ASN CA C 55.60 0.20 1 555 139 139 ASN CB C 37.91 0.20 1 556 139 139 ASN N N 115.97 0.30 1 557 140 140 ALA H H 7.77 0.03 1 558 140 140 ALA C C 180.66 0.20 1 559 140 140 ALA CA C 54.48 0.20 1 560 140 140 ALA CB C 17.86 0.20 1 561 140 140 ALA N N 124.34 0.30 1 562 141 141 LEU H H 7.71 0.03 1 563 141 141 LEU C C 178.74 0.20 1 564 141 141 LEU CA C 55.71 0.20 1 565 141 141 LEU N N 120.82 0.30 1 566 142 142 ALA H H 7.29 0.03 1 567 142 142 ALA C C 180.65 0.20 1 568 142 142 ALA CA C 51.90 0.20 1 569 142 142 ALA CB C 18.90 0.20 1 570 142 142 ALA N N 121.68 0.30 1 571 143 143 HIS H H 7.12 0.03 1 572 143 143 HIS C C 176.79 0.20 1 573 143 143 HIS CA C 60.98 0.20 1 574 143 143 HIS CB C 29.45 0.20 1 575 143 143 HIS N N 120.13 0.30 1 576 144 144 LYS H H 7.93 0.03 1 577 144 144 LYS C C 176.79 0.20 1 578 144 144 LYS CA C 53.54 0.20 1 579 144 144 LYS CB C 28.60 0.20 1 580 144 144 LYS N N 115.75 0.30 1 581 145 145 TYR H H 7.30 0.03 1 582 145 145 TYR C C 175.77 0.20 1 583 145 145 TYR CA C 60.20 0.20 1 584 145 145 TYR CB C 37.29 0.20 1 585 145 145 TYR N N 121.54 0.30 1 586 146 146 HIS H H 7.17 0.03 1 587 146 146 HIS CA C 55.35 0.20 1 588 146 146 HIS CB C 30.49 0.20 1 589 146 146 HIS N N 122.98 0.30 1 stop_ save_