data_7125 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7125 _Entry.Title ; Chemical Shifts Assignments of Human Adult Hemoglobin in the Carbonmonoxy Form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-22 _Entry.Accession_date 2006-05-22 _Entry.Last_release_date 2006-11-13 _Entry.Original_release_date 2006-11-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jing-song Fan . . . 7125 2 Daiwen Yang . . . 7125 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7125 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 856 7125 '15N chemical shifts' 270 7125 '1H chemical shifts' 1635 7125 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-11-13 2006-05-22 original author . 7125 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7125 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17060917 _Citation.Full_citation . _Citation.Title 'A new strategy for structure determination of large proteins in solution without deuteration' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nature Methods' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 931 _Citation.Page_last 937 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Y. Xu . . . 7125 1 2 Y. Zheng . . . 7125 1 3 J.S. Fan . . . 7125 1 4 D. Yang . . . 7125 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7125 _Assembly.ID 1 _Assembly.Name 'HbCO A' _Assembly.BMRB_code . _Assembly.Number_of_components 8 _Assembly.Organic_ligands 4 _Assembly.Metal_ions 4 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 65336 _Assembly.Enzyme_commission_number . _Assembly.Details 'human normal adult hemoglobin carbonmonoxy form' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-ligand system' 7125 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'globin subunit alpha, 1' 1 $globin_subunit_alpha . . yes native yes no . . ; etrameric hemoglobin is a homodimer of heterodimers: (alpha-one, beta-one)(alpha-two, bea-two) with overall C2 symmetry. The two alpha subunits are magnetically equivalent and the two beta subunits are also magnetically eqivalent. ; 7125 1 2 'globin subunit alpha, 2' 1 $globin_subunit_alpha . . yes native yes no . . ; etrameric hemoglobin is a homodimer of heterodimers: (alpha-one, beta-one)(alpha-two, bea-two) with overall C2 symmetry. The two alpha subunits are magnetically equivalent and the two beta subunits are also magnetically eqivalent. ; 7125 1 3 'globin subunit beta, 1' 2 $globin_subunit_beta . . yes native yes no . . . 7125 1 4 'globin subunit beta, 2' 2 $globin_subunit_beta . . yes native yes no . . . 7125 1 5 'HEME 1' 3 $entity_HEM_red . . yes native yes no . . . 7125 1 6 'HEME 2' 3 $entity_HEM_red . . yes native yes no . . . 7125 1 7 'HEME 3' 3 $entity_HEM_red . . yes native yes no . . . 7125 1 8 'HEME 4' 3 $entity_HEM_red . . yes native yes no . . . 7125 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID 'globin subunit alpha' . 7125 1 'globin subunit beta' . 7125 1 'heme unit' . 7125 1 'carbon monoxide' . 7125 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Oxygen transportation' 7125 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID hemoglobin 7125 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_globin_subunit_alpha _Entity.Sf_category entity _Entity.Sf_framecode globin_subunit_alpha _Entity.Entry_ID 7125 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'alpha chain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VLSPADKTNVKAAWGKVGAH AGEYGAEALERMFLSFPTTK TYFPHFDLSHGSAQVKGHGK KVADALTNAVAHVDDMPNAL SALSDLHAHKLRVDPVNFKL LSHCLLVTLAAHLPAEFTPA VHASLDKFLASVSTVLTSKY R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1053 . "hemoglobin A beta chain" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 2 no BMRB 1102 . "hemoglobin A beta chain" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 3 no BMRB 2006 . "hemoglobin A beta chain" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 4 no BMRB 2708 . "hemoglobin A beta chain" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 5 no BMRB 2710 . "hemoglobin A beta chain" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 6 no BMRB 5856 . beta_subunit . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 7 no BMRB 6230 . bHb . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 8 no BMRB 6683 . human_normal_adult_hemoglobin_beta_chain_in_deoxy_form . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 9 no BMRB 908 . "hemoglobin A beta chain" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 10 no PDB 1A00 . "Hemoglobin (Val Beta1 Met, Trp Beta37 Tyr) Mutant" . . . . . 100.00 146 98.63 100.00 1.02e-99 . . . . 7125 1 11 no PDB 1A01 . "Hemoglobin (Val Beta1 Met, Trp Beta37 Ala) Mutant" . . . . . 100.00 146 98.63 99.32 4.99e-99 . . . . 7125 1 12 no PDB 1A0U . "Hemoglobin (Val Beta1 Met) Mutant" . . . . . 100.00 146 99.32 100.00 1.37e-100 . . . . 7125 1 13 no PDB 1A0Z . "Hemoglobin (Val Beta1 Met) Mutant" . . . . . 100.00 146 99.32 100.00 1.37e-100 . . . . 7125 1 14 no PDB 1A3N . "Deoxy Human Hemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 15 no PDB 1A3O . "Artificial Mutant (Alpha Y42h) Of Deoxy Hemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 16 no PDB 1ABW . "Deoxy Rhb1.1 (Recombinant Hemoglobin)" . . . . . 100.00 146 98.63 99.32 1.23e-99 . . . . 7125 1 17 no PDB 1ABY . "Cyanomet Rhb1.1 (Recombinant Hemoglobin)" . . . . . 100.00 146 98.63 99.32 1.23e-99 . . . . 7125 1 18 no PDB 1AJ9 . "R-State Human Carbonmonoxyhemoglobin Alpha-A53s" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 19 no PDB 1B86 . "Human Deoxyhaemoglobin-2,3-Diphosphoglycerate Complex" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 20 no PDB 1BAB . "Hemoglobin Thionville: An Alpha-Chain Variant With A Substitution Of A Glutamate For Valine At Na-1 And Having An Acetylated Me" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 21 no 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 . . . . 7125 1 22 no PDB 1BIJ . "Crosslinked, Deoxy Human Hemoglobin A" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 23 no PDB 1BUW . "Crystal Structure Of S-Nitroso-Nitrosyl Human Hemoglobin A" . . . . . 100.00 146 99.32 99.32 1.91e-99 . . . . 7125 1 24 no PDB 1BZ0 . "Hemoglobin A (Human, Deoxy, High Salt)" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 25 no PDB 1BZ1 . "Hemoglobin (Alpha + Met) Variant" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 26 no PDB 1BZZ . "Hemoglobin (Alpha V1m) Mutant" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 27 no PDB 1C7B . "Deoxy Rhb1.0 (Recombinant Hemoglobin)" . . . . . 100.00 146 98.63 99.32 1.23e-99 . . . . 7125 1 28 no PDB 1C7C . "Deoxy Rhb1.1 (Recombinant Hemoglobin)" . . . . . 100.00 146 98.63 99.32 1.23e-99 . . . . 7125 1 29 no PDB 1C7D . "Deoxy Rhb1.2 (Recombinant Hemoglobin)" . . . . . 100.00 146 98.63 99.32 1.23e-99 . . . . 7125 1 30 no 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 . . . . 7125 1 31 no 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 . . . . 7125 1 32 no PDB 1CLS . "Cross-Linked Human Hemoglobin Deoxy" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 33 no 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 . . . . 7125 1 34 no 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 . . . . 7125 1 35 no PDB 1DKE . "Ni Beta Heme Human Hemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 36 no 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 . . . . 7125 1 37 no 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 . . . . 7125 1 38 no 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 . . . . 7125 1 39 no 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 . . . . 7125 1 40 no 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 . . . . 7125 1 41 no PDB 1GBU . "Deoxy (Beta-(C93a,C112g)) Human Hemoglobin" . . . . . 100.00 146 98.63 98.63 3.20e-98 . . . . 7125 1 42 no PDB 1GBV . "(Alpha-Oxy, Beta-(C112g)deoxy) T-State Human Hemoglobin" . . . . . 100.00 146 99.32 99.32 2.92e-99 . . . . 7125 1 43 no PDB 1GLI . "Deoxyhemoglobin T38w (alpha Chains), V1g (alpha And Beta Chains)" . . . . . 100.00 146 99.32 100.00 1.37e-100 . . . . 7125 1 44 no PDB 1GZX . "Oxy T State Haemoglobin: Oxygen Bound At All Four Haems" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 45 no PDB 1HAB . "Crosslinked Haemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 46 no PDB 1HAC . "Crosslinked Haemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 47 no 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 . . . . 7125 1 48 no 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 . . . . 7125 1 49 no 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 . . . . 7125 1 50 no PDB 1HCO . "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 51 no 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 . . . . 7125 1 52 no 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 . . . . 7125 1 53 no 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 . . . . 7125 1 54 no 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 . . . . 7125 1 55 no PDB 1HHO . "Structure Of Human Oxyhaemoglobin At 2.1 Angstroms Resolution" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 56 no PDB 1IRD . "Crystal Structure Of Human Carbonmonoxy-Haemoglobin At 1.25 A Resolution" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 57 no 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 . . . . 7125 1 58 no 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 . . . . 7125 1 59 no 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 . . . . 7125 1 60 no 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 . . . . 7125 1 61 no PDB 1J7S . "Crystal Structure Of Deoxy Hbalphayq, A Mutant Of Hba" . . . . . 100.00 146 99.32 100.00 1.37e-100 . . . . 7125 1 62 no PDB 1J7W . "Crystal Structure Of Deoxy Hbbetayq, A Site Directed Mutant Of Hba" . . . . . 100.00 146 97.95 98.63 4.57e-99 . . . . 7125 1 63 no PDB 1J7Y . "Crystal Structure Of Partially Ligated Mutant Of Hba" . . . . . 100.00 146 97.95 98.63 4.57e-99 . . . . 7125 1 64 no PDB 1JY7 . "The Structure Of Human Methemoglobin. The Variation Of A Theme" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 65 no 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 . . . . 7125 1 66 no 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 . . . . 7125 1 67 no PDB 1KD2 . "Crystal Structure Of Human Deoxyhemoglobin In Absence Of Any Anions" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 68 no PDB 1LFL . "Deoxy Hemoglobin (90% Relative Humidity)" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 69 no PDB 1LFQ . "Oxy Hemoglobin (93% Relative Humidity)" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 70 no PDB 1LFT . "Oxy Hemoglobin (90% Relative Humidity)" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 71 no PDB 1LFV . "Oxy Hemoglobin (88% Relative Humidity)" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 72 no PDB 1LFY . "Oxy Hemoglobin (84% Relative Humidity)" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 73 no PDB 1LFZ . "Oxy Hemoglobin (25% Methanol)" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 74 no 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 . . . . 7125 1 75 no 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 . . . . 7125 1 76 no 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 . . . . 7125 1 77 no 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 . . . . 7125 1 78 no PDB 1NIH . "Structure Of Deoxy-Quaternary Haemoglobin With Liganded Beta Subunits" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 79 no PDB 1NQP . "Crystal Structure Of Human Hemoglobin E At 1.73 A Resolution" . . . . . 100.00 146 99.32 100.00 3.04e-100 . . . . 7125 1 80 no PDB 1O1I . "Cyanomet Hemoglobin (a-gly-c:v1m,l29f,h58q; B,d:v1m,l106w)" . . . . . 100.00 146 98.63 99.32 2.35e-99 . . . . 7125 1 81 no PDB 1O1J . "Deoxy Hemoglobin (a-gly-c:v1m,l29f,h58q; B,d:v1m,l106w)" . . . . . 100.00 146 98.63 99.32 2.35e-99 . . . . 7125 1 82 no PDB 1O1K . "Deoxy Hemoglobin (A,C:v1m; B,D:v1m,V67w)" . . . . . 100.00 146 98.63 99.32 2.89e-99 . . . . 7125 1 83 no PDB 1O1L . "Deoxy Hemoglobin (A-Gly-C:v1m,L29w,H58q; B,D:v1m)" . . . . . 100.00 146 99.32 100.00 1.37e-100 . . . . 7125 1 84 no PDB 1O1M . "Deoxy Hemoglobin (a-glyglygly-c:v1m,l29f,h58q B,d:v1m,v67w)" . . . . . 100.00 146 98.63 99.32 2.89e-99 . . . . 7125 1 85 no PDB 1O1N . "Deoxy Hemoglobin (A-Glyglygly-C:v1m,L29w; B,D:v1m)" . . . . . 100.00 146 99.32 100.00 1.37e-100 . . . . 7125 1 86 no PDB 1O1O . "Deoxy Hemoglobin (A,C:v1m,V62l; B,D:v1m,V67l)" . . . . . 100.00 146 98.63 100.00 4.13e-100 . . . . 7125 1 87 no PDB 1O1P . "Deoxy Hemoglobin (A-Gly-C:v1m; B,D:v1m,C93a,N108k)" . . . . . 100.00 146 97.95 98.63 2.00e-98 . . . . 7125 1 88 no PDB 1QI8 . "Deoxygenated Structure Of A Distal Pocket Hemoglobin Mutant" . . . . . 100.00 146 97.95 98.63 4.57e-99 . . . . 7125 1 89 no PDB 1QSH . "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 90 no PDB 1QSI . "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 91 no 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 . . . . 7125 1 92 no 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 . . . . 7125 1 93 no PDB 1R1X . "Crystal Structure Of Oxy-Human Hemoglobin Bassett At 2.15 Angstrom" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 94 no PDB 1R1Y . "Crystal Structure Of Deoxy-Human Hemoglobin Bassett At 1.8 Angstrom" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 95 no 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 . . . . 7125 1 96 no 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 . . . . 7125 1 97 no 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 . . . . 7125 1 98 no 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 . . . . 7125 1 99 no PDB 1RVW . "R State Human Hemoglobin [alpha V96w], Carbonmonoxy" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 100 no PDB 1SDK . "Cross-linked, Carbonmonoxy Hemoglobin A" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 101 no PDB 1SDL . "Cross-Linked, Carbonmonoxy Hemoglobin A" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 102 no 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 . . . . 7125 1 103 no PDB 1UIW . "Crystal Structures Of Unliganded And Half-Liganded Human Hemoglobin Derivatives Cross-Linked Between Lys 82beta1 And Lys 82beta" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 104 no PDB 1VWT . "T State Human Hemoglobin [alpha V96w], Alpha Aquomet, Beta Deoxy" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 105 no PDB 1XXT . "The T-To-T High Transitions In Human Hemoglobin: Wild-Type Deoxy Hb A (Low Salt, One Test Set)" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 106 no PDB 1XY0 . "T-To-Thigh Transitions In Human Hemoglobin: Alphak40g Deoxy Low-Salt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 107 no PDB 1XYE . "T-to-thigh Transitions In Human Hemoglobin: Alpha Y42a Deoxy Low Salt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 108 no PDB 1XZ2 . "Wild-Type Hemoglobin Deoxy No-Salt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 109 no 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 . . . . 7125 1 110 no PDB 1XZ5 . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphal91a Deoxy Low-Salt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 111 no PDB 1XZ7 . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphar92a Deoxy Low-Salt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 112 no PDB 1XZU . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphad94g Deoxy Low-Salt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 113 no PDB 1XZV . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphap95a Deoxy Low-Salt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 114 no 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 . . . . 7125 1 115 no PDB 1Y0A . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140a Deoxy Low-Salt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 116 no PDB 1Y0C . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140f Deoxy Low-Salt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 117 no PDB 1Y0D . "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Desarg141alpha Deoxy Low-Salt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 118 no 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 . . . . 7125 1 119 no 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 . . . . 7125 1 120 no 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 . . . . 7125 1 121 no 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 . . . . 7125 1 122 no 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 . . . . 7125 1 123 no 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 . . . . 7125 1 124 no 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 . . . . 7125 1 125 no 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 . . . . 7125 1 126 no 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 . . . . 7125 1 127 no 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 . . . . 7125 1 128 no 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 . . . . 7125 1 129 no 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 . . . . 7125 1 130 no 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 . . . . 7125 1 131 no 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 . . . . 7125 1 132 no 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 . . . . 7125 1 133 no 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 . . . . 7125 1 134 no 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 . . . . 7125 1 135 no 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 . . . . 7125 1 136 no 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 . . . . 7125 1 137 no 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 . . . . 7125 1 138 no 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 . . . . 7125 1 139 no 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 . . . . 7125 1 140 no 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 . . . . 7125 1 141 no 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 . . . . 7125 1 142 no 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 . . . . 7125 1 143 no 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 . . . . 7125 1 144 no 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 . . . . 7125 1 145 no 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 . . . . 7125 1 146 no 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 . . . . 7125 1 147 no 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 . . . . 7125 1 148 no 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 . . . . 7125 1 149 no 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 . . . . 7125 1 150 no 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 . . . . 7125 1 151 no 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 . . . . 7125 1 152 no 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 . . . . 7125 1 153 no 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 . . . . 7125 1 154 no 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 . . . . 7125 1 155 no 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 . . . . 7125 1 156 no 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 . . . . 7125 1 157 no 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 . . . . 7125 1 158 no 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 . . . . 7125 1 159 no 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 . . . . 7125 1 160 no 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 . . . . 7125 1 161 no 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 . . . . 7125 1 162 no 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 . . . . 7125 1 163 no PDB 1YZI . "A Novel Quaternary Structure Of Human Carbonmonoxy Hemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 164 no PDB 2D5Z . "Crystal Structure Of T-State Human Hemoglobin Complexed With Three L35 Molecules" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 165 no PDB 2D60 . "Crystal Structure Of Deoxy Human Hemoglobin Complexed With Two L35 Molecules" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 166 no PDB 2DN1 . "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Oxy Form" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 167 no PDB 2DN2 . "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Deoxy Form" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 168 no PDB 2DN3 . "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Carbonmonoxy Form" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 169 no PDB 2DXM . "Neutron Structure Analysis Of Deoxy Human Hemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 170 no PDB 2H35 . "Solution Structure Of Human Normal Adult Hemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 171 no PDB 2HBC . "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 172 no PDB 2HBD . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 173 no PDB 2HBE . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 174 no PDB 2HBF . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 175 no PDB 2HBS . "The High Resolution Crystal Structure Of Deoxyhemoglobin S" . . . . . 100.00 146 99.32 99.32 8.59e-100 . . . . 7125 1 176 no PDB 2HCO . "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 177 no PDB 2HHB . "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 178 no 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 . . . . 7125 1 179 no 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 . . . . 7125 1 180 no PDB 2M6Z . "Refined Solution Structure Of Human Adult Hemoglobin In The Carbonmonoxy Form" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 181 no PDB 2W6V . "Structure Of Human Deoxy Hemoglobin A In Complex With Xenon" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 182 no PDB 2W72 . "Deoxygenated Structure Of A Distal Site Hemoglobin Mutant Plus Xe" . . . . . 100.00 146 97.95 98.63 4.57e-99 . . . . 7125 1 183 no PDB 2YRS . "Human Hemoglobin D Los Angeles: Crystal Structure" . . . . . 100.00 146 99.32 100.00 1.61e-100 . . . . 7125 1 184 no PDB 3B75 . "Crystal Structure Of Glycated Human Haemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 185 no PDB 3D17 . "A Triply Ligated Crystal Structure Of Relaxed State Human Hemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 186 no PDB 3D7O . "Human Hemoglobin, Nitrogen Dioxide Anion Modified" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 187 no 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 . . . . 7125 1 188 no PDB 3HHB . "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 189 no 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 . . . . 7125 1 190 no 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 . . . . 7125 1 191 no 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 . . . . 7125 1 192 no 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 . . . . 7125 1 193 no PDB 3NL7 . "Human Hemoglobin A Mutant Beta H63w Carbonmonoxy-Form" . . . . . 100.00 146 99.32 99.32 2.27e-99 . . . . 7125 1 194 no PDB 3NMM . "Human Hemoglobin A Mutant Alpha H58w Deoxy-Form" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 195 no PDB 3ODQ . "Structure Of A Crystal Form Of Human Methemoglobin Indicative Of Fiber Formation" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 196 no PDB 3ONZ . "Human Tetrameric Hemoglobin: Proximal Nitrite Ligand At Beta" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 197 no PDB 3OO4 . "R-State Human Hemoglobin: Nitriheme Modified At Alpha" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 198 no PDB 3OO5 . "R-State Human Hemoglobin: Nitriheme Modified" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 199 no PDB 3P5Q . "Ferric R-State Human Aquomethemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 200 no PDB 3QJB . "Human Hemoglobin A Mutant Alpha H58l Carbonmonoxy-Form" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 201 no PDB 3QJC . "Human Hemoglobin A Mutant Beta H63l Carbonmonoxy-Form" . . . . . 100.00 146 99.32 99.32 1.53e-99 . . . . 7125 1 202 no PDB 3QJD . "Human Hemoglobin A Mutant Alpha H58l Deoxy-Form" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 203 no PDB 3QJE . "Human Hemoglobin A Mutant Beta H63l Deoxy-Form" . . . . . 100.00 146 99.32 99.32 1.53e-99 . . . . 7125 1 204 no 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 . . . . 7125 1 205 no 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 . . . . 7125 1 206 no 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 . . . . 7125 1 207 no 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 . . . . 7125 1 208 no PDB 3W4U . "Human Zeta-2 Beta-2-s Hemoglobin" . . . . . 100.00 146 99.32 99.32 8.59e-100 . . . . 7125 1 209 no PDB 3WCP . "Deoxyhemoglobin Sh-drug Complex" . . . . . 100.00 146 99.32 99.32 1.91e-99 . . . . 7125 1 210 no PDB 3WHM . "Structure Of Hemoglobin Complex With 18-crown-6" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 211 no 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 . . . . 7125 1 212 no PDB 4HHB . "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 213 no 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 . . . . 7125 1 214 no 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 . . . . 7125 1 215 no PDB 4M4A . "Human Hemoglobin Nitromethane Modified" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 216 no PDB 4M4B . "Human Hemoglobin Nitroethane Modified" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 217 no PDB 4MQC . "Carbonmonoxy Structure Of Hemoglobin Evans Alphav62mbetawt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 218 no PDB 4MQG . "Structure Of Carbonmonoxy Adult Hemoglobin Bristol-alesha Alphawtbetav67m" . . . . . 100.00 146 99.32 100.00 1.37e-100 . . . . 7125 1 219 no PDB 4MQH . "Structure Of Aquomet Hemoglobin Evans Alphav62mbetawt" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 220 no PDB 4MQI . "Structure Of Aquomet Hemoglobin Bristol-alesha Alphawtbetav67m" . . . . . 100.00 146 99.32 100.00 1.37e-100 . . . . 7125 1 221 no 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 . . . . 7125 1 222 no 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 . . . . 7125 1 223 no 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 . . . . 7125 1 224 no PDB 4N8T . "Human Hemoglobin Nitric Oxide Adduct" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 225 no 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 . . . . 7125 1 226 no 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 . . . . 7125 1 227 no PDB 4WJG . "Structure Of T. Brucei Haptoglobin-hemoglobin Receptor Binding To Human Haptoglobin-hemoglobin" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 228 no PDB 6HBW . "Crystal Structure Of Deoxy-human Hemoglobin Beta6 Glu->trp" . . . . . 100.00 146 99.32 99.32 1.73e-99 . . . . 7125 1 229 no DBJ BAG34767 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 5.85e-101 . . . . 7125 1 230 no EMBL CAA23756 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 5.85e-101 . . . . 7125 1 231 no EMBL CAA23758 . "beta globin [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 5.85e-101 . . . . 7125 1 232 no EMBL CAA23759 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 147 98.63 98.63 5.05e-99 . . . . 7125 1 233 no EMBL CAA43421 . "beta-globin [Gorilla gorilla]" . . . . . 82.19 121 99.17 100.00 4.37e-80 . . . . 7125 1 234 no EMBL CAG38767 . "HBB [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 5.85e-101 . . . . 7125 1 235 no GB AAA16334 . "beta-globin [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 5.85e-101 . . . . 7125 1 236 no GB AAA21100 . "beta-globin [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 5.85e-101 . . . . 7125 1 237 no GB AAA21101 . "beta-globin [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 5.85e-101 . . . . 7125 1 238 no GB AAA21102 . "beta-globin [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 5.85e-101 . . . . 7125 1 239 no GB AAA21103 . "beta-globin [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 5.85e-101 . . . . 7125 1 240 no PRF 0404170B . "hemoglobin beta" . . . . . 100.00 146 98.63 98.63 5.69e-99 . . . . 7125 1 241 no PRF 0907233B . "hemoglobin beta" . . . . . 100.00 146 100.00 100.00 6.17e-101 . . . . 7125 1 242 no REF NP_000509 . "hemoglobin subunit beta [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 5.85e-101 . . . . 7125 1 243 no REF XP_002822173 . "PREDICTED: hemoglobin subunit beta isoform X2 [Pongo abelii]" . . . . . 100.00 147 98.63 98.63 5.39e-99 . . . . 7125 1 244 no REF XP_003819077 . "PREDICTED: hemoglobin subunit beta [Pan paniscus]" . . . . . 100.00 147 100.00 100.00 5.85e-101 . . . . 7125 1 245 no REF XP_004050595 . "PREDICTED: hemoglobin subunit beta [Gorilla gorilla gorilla]" . . . . . 95.21 143 99.28 100.00 4.51e-95 . . . . 7125 1 246 no REF XP_004090697 . "PREDICTED: LOW QUALITY PROTEIN: hemoglobin subunit beta [Nomascus leucogenys]" . . . . . 100.00 147 97.95 97.95 2.96e-98 . . . . 7125 1 247 no 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 . . . . 7125 1 248 no 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 . . . . 7125 1 249 no 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 . . . . 7125 1 250 no 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 . . . . 7125 1 251 no 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 . . . . 7125 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HbCO A' . 7125 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 VAL . 7125 1 2 2 LEU . 7125 1 3 3 SER . 7125 1 4 4 PRO . 7125 1 5 5 ALA . 7125 1 6 6 ASP . 7125 1 7 7 LYS . 7125 1 8 8 THR . 7125 1 9 9 ASN . 7125 1 10 10 VAL . 7125 1 11 11 LYS . 7125 1 12 12 ALA . 7125 1 13 13 ALA . 7125 1 14 14 TRP . 7125 1 15 15 GLY . 7125 1 16 16 LYS . 7125 1 17 17 VAL . 7125 1 18 18 GLY . 7125 1 19 19 ALA . 7125 1 20 20 HIS . 7125 1 21 21 ALA . 7125 1 22 22 GLY . 7125 1 23 23 GLU . 7125 1 24 24 TYR . 7125 1 25 25 GLY . 7125 1 26 26 ALA . 7125 1 27 27 GLU . 7125 1 28 28 ALA . 7125 1 29 29 LEU . 7125 1 30 30 GLU . 7125 1 31 31 ARG . 7125 1 32 32 MET . 7125 1 33 33 PHE . 7125 1 34 34 LEU . 7125 1 35 35 SER . 7125 1 36 36 PHE . 7125 1 37 37 PRO . 7125 1 38 38 THR . 7125 1 39 39 THR . 7125 1 40 40 LYS . 7125 1 41 41 THR . 7125 1 42 42 TYR . 7125 1 43 43 PHE . 7125 1 44 44 PRO . 7125 1 45 45 HIS . 7125 1 46 46 PHE . 7125 1 47 47 ASP . 7125 1 48 48 LEU . 7125 1 49 49 SER . 7125 1 50 50 HIS . 7125 1 51 51 GLY . 7125 1 52 52 SER . 7125 1 53 53 ALA . 7125 1 54 54 GLN . 7125 1 55 55 VAL . 7125 1 56 56 LYS . 7125 1 57 57 GLY . 7125 1 58 58 HIS . 7125 1 59 59 GLY . 7125 1 60 60 LYS . 7125 1 61 61 LYS . 7125 1 62 62 VAL . 7125 1 63 63 ALA . 7125 1 64 64 ASP . 7125 1 65 65 ALA . 7125 1 66 66 LEU . 7125 1 67 67 THR . 7125 1 68 68 ASN . 7125 1 69 69 ALA . 7125 1 70 70 VAL . 7125 1 71 71 ALA . 7125 1 72 72 HIS . 7125 1 73 73 VAL . 7125 1 74 74 ASP . 7125 1 75 75 ASP . 7125 1 76 76 MET . 7125 1 77 77 PRO . 7125 1 78 78 ASN . 7125 1 79 79 ALA . 7125 1 80 80 LEU . 7125 1 81 81 SER . 7125 1 82 82 ALA . 7125 1 83 83 LEU . 7125 1 84 84 SER . 7125 1 85 85 ASP . 7125 1 86 86 LEU . 7125 1 87 87 HIS . 7125 1 88 88 ALA . 7125 1 89 89 HIS . 7125 1 90 90 LYS . 7125 1 91 91 LEU . 7125 1 92 92 ARG . 7125 1 93 93 VAL . 7125 1 94 94 ASP . 7125 1 95 95 PRO . 7125 1 96 96 VAL . 7125 1 97 97 ASN . 7125 1 98 98 PHE . 7125 1 99 99 LYS . 7125 1 100 100 LEU . 7125 1 101 101 LEU . 7125 1 102 102 SER . 7125 1 103 103 HIS . 7125 1 104 104 CYS . 7125 1 105 105 LEU . 7125 1 106 106 LEU . 7125 1 107 107 VAL . 7125 1 108 108 THR . 7125 1 109 109 LEU . 7125 1 110 110 ALA . 7125 1 111 111 ALA . 7125 1 112 112 HIS . 7125 1 113 113 LEU . 7125 1 114 114 PRO . 7125 1 115 115 ALA . 7125 1 116 116 GLU . 7125 1 117 117 PHE . 7125 1 118 118 THR . 7125 1 119 119 PRO . 7125 1 120 120 ALA . 7125 1 121 121 VAL . 7125 1 122 122 HIS . 7125 1 123 123 ALA . 7125 1 124 124 SER . 7125 1 125 125 LEU . 7125 1 126 126 ASP . 7125 1 127 127 LYS . 7125 1 128 128 PHE . 7125 1 129 129 LEU . 7125 1 130 130 ALA . 7125 1 131 131 SER . 7125 1 132 132 VAL . 7125 1 133 133 SER . 7125 1 134 134 THR . 7125 1 135 135 VAL . 7125 1 136 136 LEU . 7125 1 137 137 THR . 7125 1 138 138 SER . 7125 1 139 139 LYS . 7125 1 140 140 TYR . 7125 1 141 141 ARG . 7125 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . VAL 1 1 7125 1 . LEU 2 2 7125 1 . SER 3 3 7125 1 . PRO 4 4 7125 1 . ALA 5 5 7125 1 . ASP 6 6 7125 1 . LYS 7 7 7125 1 . THR 8 8 7125 1 . ASN 9 9 7125 1 . VAL 10 10 7125 1 . LYS 11 11 7125 1 . ALA 12 12 7125 1 . ALA 13 13 7125 1 . TRP 14 14 7125 1 . GLY 15 15 7125 1 . LYS 16 16 7125 1 . VAL 17 17 7125 1 . GLY 18 18 7125 1 . ALA 19 19 7125 1 . HIS 20 20 7125 1 . ALA 21 21 7125 1 . GLY 22 22 7125 1 . GLU 23 23 7125 1 . TYR 24 24 7125 1 . GLY 25 25 7125 1 . ALA 26 26 7125 1 . GLU 27 27 7125 1 . ALA 28 28 7125 1 . LEU 29 29 7125 1 . GLU 30 30 7125 1 . ARG 31 31 7125 1 . MET 32 32 7125 1 . PHE 33 33 7125 1 . LEU 34 34 7125 1 . SER 35 35 7125 1 . PHE 36 36 7125 1 . PRO 37 37 7125 1 . THR 38 38 7125 1 . THR 39 39 7125 1 . LYS 40 40 7125 1 . THR 41 41 7125 1 . TYR 42 42 7125 1 . PHE 43 43 7125 1 . PRO 44 44 7125 1 . HIS 45 45 7125 1 . PHE 46 46 7125 1 . ASP 47 47 7125 1 . LEU 48 48 7125 1 . SER 49 49 7125 1 . HIS 50 50 7125 1 . GLY 51 51 7125 1 . SER 52 52 7125 1 . ALA 53 53 7125 1 . GLN 54 54 7125 1 . VAL 55 55 7125 1 . LYS 56 56 7125 1 . GLY 57 57 7125 1 . HIS 58 58 7125 1 . GLY 59 59 7125 1 . LYS 60 60 7125 1 . LYS 61 61 7125 1 . VAL 62 62 7125 1 . ALA 63 63 7125 1 . ASP 64 64 7125 1 . ALA 65 65 7125 1 . LEU 66 66 7125 1 . THR 67 67 7125 1 . ASN 68 68 7125 1 . ALA 69 69 7125 1 . VAL 70 70 7125 1 . ALA 71 71 7125 1 . HIS 72 72 7125 1 . VAL 73 73 7125 1 . ASP 74 74 7125 1 . ASP 75 75 7125 1 . MET 76 76 7125 1 . PRO 77 77 7125 1 . ASN 78 78 7125 1 . ALA 79 79 7125 1 . LEU 80 80 7125 1 . SER 81 81 7125 1 . ALA 82 82 7125 1 . LEU 83 83 7125 1 . SER 84 84 7125 1 . ASP 85 85 7125 1 . LEU 86 86 7125 1 . HIS 87 87 7125 1 . ALA 88 88 7125 1 . HIS 89 89 7125 1 . LYS 90 90 7125 1 . LEU 91 91 7125 1 . ARG 92 92 7125 1 . VAL 93 93 7125 1 . ASP 94 94 7125 1 . PRO 95 95 7125 1 . VAL 96 96 7125 1 . ASN 97 97 7125 1 . PHE 98 98 7125 1 . LYS 99 99 7125 1 . LEU 100 100 7125 1 . LEU 101 101 7125 1 . SER 102 102 7125 1 . HIS 103 103 7125 1 . CYS 104 104 7125 1 . LEU 105 105 7125 1 . LEU 106 106 7125 1 . VAL 107 107 7125 1 . THR 108 108 7125 1 . LEU 109 109 7125 1 . ALA 110 110 7125 1 . ALA 111 111 7125 1 . HIS 112 112 7125 1 . LEU 113 113 7125 1 . PRO 114 114 7125 1 . ALA 115 115 7125 1 . GLU 116 116 7125 1 . PHE 117 117 7125 1 . THR 118 118 7125 1 . PRO 119 119 7125 1 . ALA 120 120 7125 1 . VAL 121 121 7125 1 . HIS 122 122 7125 1 . ALA 123 123 7125 1 . SER 124 124 7125 1 . LEU 125 125 7125 1 . ASP 126 126 7125 1 . LYS 127 127 7125 1 . PHE 128 128 7125 1 . LEU 129 129 7125 1 . ALA 130 130 7125 1 . SER 131 131 7125 1 . VAL 132 132 7125 1 . SER 133 133 7125 1 . THR 134 134 7125 1 . VAL 135 135 7125 1 . LEU 136 136 7125 1 . THR 137 137 7125 1 . SER 138 138 7125 1 . LYS 139 139 7125 1 . TYR 140 140 7125 1 . ARG 141 141 7125 1 stop_ save_ save_globin_subunit_beta _Entity.Sf_category entity _Entity.Sf_framecode globin_subunit_beta _Entity.Entry_ID 7125 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'beta chain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VHLTPEEKSAVTALWGKVNV DEVGGEALGRLLVVYPWTQR FFESFGDLSTPDAVMGNPKV KAHGKKVLGAFSDGLAHLDN LKGTFATLSELHCDKLHVDP ENFRLLGNVLVCVLAHHFGK EFTPPVQAAYQKVVAGVANA LAHKYH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 VAL . 7125 2 2 2 HIS . 7125 2 3 3 LEU . 7125 2 4 4 THR . 7125 2 5 5 PRO . 7125 2 6 6 GLU . 7125 2 7 7 GLU . 7125 2 8 8 LYS . 7125 2 9 9 SER . 7125 2 10 10 ALA . 7125 2 11 11 VAL . 7125 2 12 12 THR . 7125 2 13 13 ALA . 7125 2 14 14 LEU . 7125 2 15 15 TRP . 7125 2 16 16 GLY . 7125 2 17 17 LYS . 7125 2 18 18 VAL . 7125 2 19 19 ASN . 7125 2 20 20 VAL . 7125 2 21 21 ASP . 7125 2 22 22 GLU . 7125 2 23 23 VAL . 7125 2 24 24 GLY . 7125 2 25 25 GLY . 7125 2 26 26 GLU . 7125 2 27 27 ALA . 7125 2 28 28 LEU . 7125 2 29 29 GLY . 7125 2 30 30 ARG . 7125 2 31 31 LEU . 7125 2 32 32 LEU . 7125 2 33 33 VAL . 7125 2 34 34 VAL . 7125 2 35 35 TYR . 7125 2 36 36 PRO . 7125 2 37 37 TRP . 7125 2 38 38 THR . 7125 2 39 39 GLN . 7125 2 40 40 ARG . 7125 2 41 41 PHE . 7125 2 42 42 PHE . 7125 2 43 43 GLU . 7125 2 44 44 SER . 7125 2 45 45 PHE . 7125 2 46 46 GLY . 7125 2 47 47 ASP . 7125 2 48 48 LEU . 7125 2 49 49 SER . 7125 2 50 50 THR . 7125 2 51 51 PRO . 7125 2 52 52 ASP . 7125 2 53 53 ALA . 7125 2 54 54 VAL . 7125 2 55 55 MET . 7125 2 56 56 GLY . 7125 2 57 57 ASN . 7125 2 58 58 PRO . 7125 2 59 59 LYS . 7125 2 60 60 VAL . 7125 2 61 61 LYS . 7125 2 62 62 ALA . 7125 2 63 63 HIS . 7125 2 64 64 GLY . 7125 2 65 65 LYS . 7125 2 66 66 LYS . 7125 2 67 67 VAL . 7125 2 68 68 LEU . 7125 2 69 69 GLY . 7125 2 70 70 ALA . 7125 2 71 71 PHE . 7125 2 72 72 SER . 7125 2 73 73 ASP . 7125 2 74 74 GLY . 7125 2 75 75 LEU . 7125 2 76 76 ALA . 7125 2 77 77 HIS . 7125 2 78 78 LEU . 7125 2 79 79 ASP . 7125 2 80 80 ASN . 7125 2 81 81 LEU . 7125 2 82 82 LYS . 7125 2 83 83 GLY . 7125 2 84 84 THR . 7125 2 85 85 PHE . 7125 2 86 86 ALA . 7125 2 87 87 THR . 7125 2 88 88 LEU . 7125 2 89 89 SER . 7125 2 90 90 GLU . 7125 2 91 91 LEU . 7125 2 92 92 HIS . 7125 2 93 93 CYS . 7125 2 94 94 ASP . 7125 2 95 95 LYS . 7125 2 96 96 LEU . 7125 2 97 97 HIS . 7125 2 98 98 VAL . 7125 2 99 99 ASP . 7125 2 100 100 PRO . 7125 2 101 101 GLU . 7125 2 102 102 ASN . 7125 2 103 103 PHE . 7125 2 104 104 ARG . 7125 2 105 105 LEU . 7125 2 106 106 LEU . 7125 2 107 107 GLY . 7125 2 108 108 ASN . 7125 2 109 109 VAL . 7125 2 110 110 LEU . 7125 2 111 111 VAL . 7125 2 112 112 CYS . 7125 2 113 113 VAL . 7125 2 114 114 LEU . 7125 2 115 115 ALA . 7125 2 116 116 HIS . 7125 2 117 117 HIS . 7125 2 118 118 PHE . 7125 2 119 119 GLY . 7125 2 120 120 LYS . 7125 2 121 121 GLU . 7125 2 122 122 PHE . 7125 2 123 123 THR . 7125 2 124 124 PRO . 7125 2 125 125 PRO . 7125 2 126 126 VAL . 7125 2 127 127 GLN . 7125 2 128 128 ALA . 7125 2 129 129 ALA . 7125 2 130 130 TYR . 7125 2 131 131 GLN . 7125 2 132 132 LYS . 7125 2 133 133 VAL . 7125 2 134 134 VAL . 7125 2 135 135 ALA . 7125 2 136 136 GLY . 7125 2 137 137 VAL . 7125 2 138 138 ALA . 7125 2 139 139 ASN . 7125 2 140 140 ALA . 7125 2 141 141 LEU . 7125 2 142 142 ALA . 7125 2 143 143 HIS . 7125 2 144 144 LYS . 7125 2 145 145 TYR . 7125 2 146 146 HIS . 7125 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . VAL 1 1 7125 2 . HIS 2 2 7125 2 . LEU 3 3 7125 2 . THR 4 4 7125 2 . PRO 5 5 7125 2 . GLU 6 6 7125 2 . GLU 7 7 7125 2 . LYS 8 8 7125 2 . SER 9 9 7125 2 . ALA 10 10 7125 2 . VAL 11 11 7125 2 . THR 12 12 7125 2 . ALA 13 13 7125 2 . LEU 14 14 7125 2 . TRP 15 15 7125 2 . GLY 16 16 7125 2 . LYS 17 17 7125 2 . VAL 18 18 7125 2 . ASN 19 19 7125 2 . VAL 20 20 7125 2 . ASP 21 21 7125 2 . GLU 22 22 7125 2 . VAL 23 23 7125 2 . GLY 24 24 7125 2 . GLY 25 25 7125 2 . GLU 26 26 7125 2 . ALA 27 27 7125 2 . LEU 28 28 7125 2 . GLY 29 29 7125 2 . ARG 30 30 7125 2 . LEU 31 31 7125 2 . LEU 32 32 7125 2 . VAL 33 33 7125 2 . VAL 34 34 7125 2 . TYR 35 35 7125 2 . PRO 36 36 7125 2 . TRP 37 37 7125 2 . THR 38 38 7125 2 . GLN 39 39 7125 2 . ARG 40 40 7125 2 . PHE 41 41 7125 2 . PHE 42 42 7125 2 . GLU 43 43 7125 2 . SER 44 44 7125 2 . PHE 45 45 7125 2 . GLY 46 46 7125 2 . ASP 47 47 7125 2 . LEU 48 48 7125 2 . SER 49 49 7125 2 . THR 50 50 7125 2 . PRO 51 51 7125 2 . ASP 52 52 7125 2 . ALA 53 53 7125 2 . VAL 54 54 7125 2 . MET 55 55 7125 2 . GLY 56 56 7125 2 . ASN 57 57 7125 2 . PRO 58 58 7125 2 . LYS 59 59 7125 2 . VAL 60 60 7125 2 . LYS 61 61 7125 2 . ALA 62 62 7125 2 . HIS 63 63 7125 2 . GLY 64 64 7125 2 . LYS 65 65 7125 2 . LYS 66 66 7125 2 . VAL 67 67 7125 2 . LEU 68 68 7125 2 . GLY 69 69 7125 2 . ALA 70 70 7125 2 . PHE 71 71 7125 2 . SER 72 72 7125 2 . ASP 73 73 7125 2 . GLY 74 74 7125 2 . LEU 75 75 7125 2 . ALA 76 76 7125 2 . HIS 77 77 7125 2 . LEU 78 78 7125 2 . ASP 79 79 7125 2 . ASN 80 80 7125 2 . LEU 81 81 7125 2 . LYS 82 82 7125 2 . GLY 83 83 7125 2 . THR 84 84 7125 2 . PHE 85 85 7125 2 . ALA 86 86 7125 2 . THR 87 87 7125 2 . LEU 88 88 7125 2 . SER 89 89 7125 2 . GLU 90 90 7125 2 . LEU 91 91 7125 2 . HIS 92 92 7125 2 . CYS 93 93 7125 2 . ASP 94 94 7125 2 . LYS 95 95 7125 2 . LEU 96 96 7125 2 . HIS 97 97 7125 2 . VAL 98 98 7125 2 . ASP 99 99 7125 2 . PRO 100 100 7125 2 . GLU 101 101 7125 2 . ASN 102 102 7125 2 . PHE 103 103 7125 2 . ARG 104 104 7125 2 . LEU 105 105 7125 2 . LEU 106 106 7125 2 . GLY 107 107 7125 2 . ASN 108 108 7125 2 . VAL 109 109 7125 2 . LEU 110 110 7125 2 . VAL 111 111 7125 2 . CYS 112 112 7125 2 . VAL 113 113 7125 2 . LEU 114 114 7125 2 . ALA 115 115 7125 2 . HIS 116 116 7125 2 . HIS 117 117 7125 2 . PHE 118 118 7125 2 . GLY 119 119 7125 2 . LYS 120 120 7125 2 . GLU 121 121 7125 2 . PHE 122 122 7125 2 . THR 123 123 7125 2 . PRO 124 124 7125 2 . PRO 125 125 7125 2 . VAL 126 126 7125 2 . GLN 127 127 7125 2 . ALA 128 128 7125 2 . ALA 129 129 7125 2 . TYR 130 130 7125 2 . GLN 131 131 7125 2 . LYS 132 132 7125 2 . VAL 133 133 7125 2 . VAL 134 134 7125 2 . ALA 135 135 7125 2 . GLY 136 136 7125 2 . VAL 137 137 7125 2 . ALA 138 138 7125 2 . ASN 139 139 7125 2 . ALA 140 140 7125 2 . LEU 141 141 7125 2 . ALA 142 142 7125 2 . HIS 143 143 7125 2 . LYS 144 144 7125 2 . TYR 145 145 7125 2 . HIS 146 146 7125 2 stop_ save_ save_entity_HEM_red _Entity.Sf_category entity _Entity.Sf_framecode entity_HEM_red _Entity.Entry_ID 7125 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HEM_red _Entity.Nonpolymer_comp_label $HEM_red _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID heme abbreviation 7125 3 HEME synonym 7125 3 'PROTOPORPHYRIN IX CONTAINING FE' common 7125 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . HEM_red . 7125 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7125 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $globin_subunit_alpha . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . 7125 . . . . . . . . . . . . . . . . 7125 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7125 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $globin_subunit_alpha . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7125 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_HEM_red _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode HEM_red _Chem_comp.Entry_ID 7125 _Chem_comp.ID HEM_red _Chem_comp.Provenance . _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Chem_comp.Type fragment _Chem_comp.BMRB_code HEM_red _Chem_comp.PDB_code HEM _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H32 N4 O4 FE1' _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID heme . 7125 HEM_red 'PROTOPORPHYRIN IX CONTAINING FE' . 7125 HEM_red stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1A . C1A . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C1B . C1B . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C1C . C1C . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C1D . C1D . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C2A . C2A . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C2B . C2B . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C2C . C2C . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C2D . C2D . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C3A . C3A . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C3B . C3B . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C3C . C3C . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C3D . C3D . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C4A . C4A . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C4B . C4B . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C4C . C4C . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red C4D . C4D . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CAA . CAA . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CAB . CAB . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CAC . CAC . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CAD . CAD . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CBA . CBA . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CBB . CBB . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CBC . CBC . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CBD . CBD . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CGA . CGA . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CGD . CGD . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CHA . CHA . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CHB . CHB . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CHC . CHC . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CHD . CHD . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CMA . CMA . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CMB . CMB . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CMC . CMC . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red CMD . CMD . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red FE . FE . . FE . . . 2+ . 2+ 0 . . . . . . . . . . . . . . . . . . 7125 HEM_red 1HAA . 1HAA . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 1HAD . 1HAD . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 1HBA . 1HBA . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 1HBB . 1HBB . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 1HBC . 1HBC . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 1HBD . 1HBD . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 1HMA . 1HMA . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 1HMB . 1HMB . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 1HMC . 1HMC . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 1HMD . 1HMD . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 2HAA . 2HAA . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 2HAD . 2HAD . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 2HBA . 2HBA . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 2HBB . 2HBB . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 2HBC . 2HBC . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 2HBD . 2HBD . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 2HMA . 2HMA . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 2HMB . 2HMB . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 2HMC . 2HMC . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 2HMD . 2HMD . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 3HMA . 3HMA . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 3HMB . 3HMB . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 3HMC . 3HMC . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red 3HMD . 3HMD . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red H2A . H2A . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red H2D . H2D . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red HAB . HAB . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red HAC . HAC . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red HHA . HHA . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red HHB . HHB . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red HHC . HHC . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red HHD . HHD . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red NA . 'N A' . . N . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red NB . 'N B' . . N . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red NC . 'N C' . . N . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red ND . 'N D' . . N . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red O1A . O1A . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red O1D . O1D . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red O2A . O2A . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red O2D . O2D . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 7125 HEM_red stop_ loop_ _Atom_nomenclature.Atom_ID _Atom_nomenclature.Atom_name _Atom_nomenclature.Naming_system _Atom_nomenclature.Entry_ID _Atom_nomenclature.Comp_ID . FE . 7125 HEM_red . CHA . 7125 HEM_red . CHB . 7125 HEM_red . CHC . 7125 HEM_red . CHD . 7125 HEM_red . NA . 7125 HEM_red . C1A . 7125 HEM_red . C2A . 7125 HEM_red . C3A . 7125 HEM_red . C4A . 7125 HEM_red . CMA . 7125 HEM_red . CAA . 7125 HEM_red . CBA . 7125 HEM_red . CGA . 7125 HEM_red . O1A . 7125 HEM_red . O2A . 7125 HEM_red . NB . 7125 HEM_red . C1B . 7125 HEM_red . C2B . 7125 HEM_red . C3B . 7125 HEM_red . C4B . 7125 HEM_red . CMB . 7125 HEM_red . CAB . 7125 HEM_red . CBB . 7125 HEM_red . NC . 7125 HEM_red . C1C . 7125 HEM_red . C2C . 7125 HEM_red . C3C . 7125 HEM_red . C4C . 7125 HEM_red . CMC . 7125 HEM_red . CAC . 7125 HEM_red . CBC . 7125 HEM_red . ND . 7125 HEM_red . C1D . 7125 HEM_red . C2D . 7125 HEM_red . C3D . 7125 HEM_red . C4D . 7125 HEM_red . CMD . 7125 HEM_red . CAD . 7125 HEM_red . CBD . 7125 HEM_red . CGD . 7125 HEM_red . O1D . 7125 HEM_red . O2D . 7125 HEM_red . HHA . 7125 HEM_red . HHB . 7125 HEM_red . HHC . 7125 HEM_red . HHD . 7125 HEM_red . 1HMA . 7125 HEM_red . 2HMA . 7125 HEM_red . 3HMA . 7125 HEM_red . 1HAA . 7125 HEM_red . 2HAA . 7125 HEM_red . 1HBA . 7125 HEM_red . 2HBA . 7125 HEM_red . H2A . 7125 HEM_red . 1HMB . 7125 HEM_red . 2HMB . 7125 HEM_red . 3HMB . 7125 HEM_red . HAB . 7125 HEM_red . 1HBB . 7125 HEM_red . 2HBB . 7125 HEM_red . 1HMC . 7125 HEM_red . 2HMC . 7125 HEM_red . 3HMC . 7125 HEM_red . HAC . 7125 HEM_red . 1HBC . 7125 HEM_red . 2HBC . 7125 HEM_red . 1HMD . 7125 HEM_red . 2HMD . 7125 HEM_red . 3HMD . 7125 HEM_red . 1HAD . 7125 HEM_red . 2HAD . 7125 HEM_red . 1HBD . 7125 HEM_red . 2HBD . 7125 HEM_red . H2D . 7125 HEM_red stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING FE NA . . . . 7125 HEM_red 2 . SING FE NB . . . . 7125 HEM_red 3 . SING FE NC . . . . 7125 HEM_red 4 . SING FE ND . . . . 7125 HEM_red 5 . DOUB CHA C1A . . . . 7125 HEM_red 6 . SING CHA C4D . . . . 7125 HEM_red 7 . SING CHA HHA . . . . 7125 HEM_red 8 . DOUB CHB C4A . . . . 7125 HEM_red 9 . SING CHB C1B . . . . 7125 HEM_red 10 . SING CHB HHB . . . . 7125 HEM_red 11 . DOUB CHC C4B . . . . 7125 HEM_red 12 . SING CHC C1C . . . . 7125 HEM_red 13 . SING CHC HHC . . . . 7125 HEM_red 14 . SING CHD C4C . . . . 7125 HEM_red 15 . DOUB CHD C1D . . . . 7125 HEM_red 16 . SING CHD HHD . . . . 7125 HEM_red 17 . SING NA C1A . . . . 7125 HEM_red 18 . SING NA C4A . . . . 7125 HEM_red 19 . SING C1A C2A . . . . 7125 HEM_red 20 . DOUB C2A C3A . . . . 7125 HEM_red 21 . SING C2A CAA . . . . 7125 HEM_red 22 . SING C3A C4A . . . . 7125 HEM_red 23 . SING C3A CMA . . . . 7125 HEM_red 24 . SING CMA 1HMA . . . . 7125 HEM_red 25 . SING CMA 2HMA . . . . 7125 HEM_red 26 . SING CMA 3HMA . . . . 7125 HEM_red 27 . SING CAA CBA . . . . 7125 HEM_red 28 . SING CAA 1HAA . . . . 7125 HEM_red 29 . SING CAA 2HAA . . . . 7125 HEM_red 30 . SING CBA CGA . . . . 7125 HEM_red 31 . SING CBA 1HBA . . . . 7125 HEM_red 32 . SING CBA 2HBA . . . . 7125 HEM_red 33 . DOUB CGA O1A . . . . 7125 HEM_red 34 . SING CGA O2A . . . . 7125 HEM_red 35 . SING O2A H2A . . . . 7125 HEM_red 36 . DOUB NB C1B . . . . 7125 HEM_red 37 . SING NB C4B . . . . 7125 HEM_red 38 . SING C1B C2B . . . . 7125 HEM_red 39 . DOUB C2B C3B . . . . 7125 HEM_red 40 . SING C2B CMB . . . . 7125 HEM_red 41 . SING C3B C4B . . . . 7125 HEM_red 42 . SING C3B CAB . . . . 7125 HEM_red 43 . SING CMB 1HMB . . . . 7125 HEM_red 44 . SING CMB 2HMB . . . . 7125 HEM_red 45 . SING CMB 3HMB . . . . 7125 HEM_red 46 . DOUB CAB CBB . . . . 7125 HEM_red 47 . SING CAB HAB . . . . 7125 HEM_red 48 . SING CBB 1HBB . . . . 7125 HEM_red 49 . SING CBB 2HBB . . . . 7125 HEM_red 50 . SING NC C1C . . . . 7125 HEM_red 51 . SING NC C4C . . . . 7125 HEM_red 52 . DOUB C1C C2C . . . . 7125 HEM_red 53 . SING C2C C3C . . . . 7125 HEM_red 54 . SING C2C CMC . . . . 7125 HEM_red 55 . DOUB C3C C4C . . . . 7125 HEM_red 56 . SING C3C CAC . . . . 7125 HEM_red 57 . SING CMC 1HMC . . . . 7125 HEM_red 58 . SING CMC 2HMC . . . . 7125 HEM_red 59 . SING CMC 3HMC . . . . 7125 HEM_red 60 . DOUB CAC CBC . . . . 7125 HEM_red 61 . SING CAC HAC . . . . 7125 HEM_red 62 . SING CBC 1HBC . . . . 7125 HEM_red 63 . SING CBC 2HBC . . . . 7125 HEM_red 64 . SING ND C1D . . . . 7125 HEM_red 65 . DOUB ND C4D . . . . 7125 HEM_red 66 . SING C1D C2D . . . . 7125 HEM_red 67 . DOUB C2D C3D . . . . 7125 HEM_red 68 . SING C2D CMD . . . . 7125 HEM_red 69 . SING C3D C4D . . . . 7125 HEM_red 70 . SING C3D CAD . . . . 7125 HEM_red 71 . SING CMD 1HMD . . . . 7125 HEM_red 72 . SING CMD 2HMD . . . . 7125 HEM_red 73 . SING CMD 3HMD . . . . 7125 HEM_red 74 . SING CAD CBD . . . . 7125 HEM_red 75 . SING CAD 1HAD . . . . 7125 HEM_red 76 . SING CAD 2HAD . . . . 7125 HEM_red 77 . SING CBD CGD . . . . 7125 HEM_red 78 . SING CBD 1HBD . . . . 7125 HEM_red 79 . SING CBD 2HBD . . . . 7125 HEM_red 80 . DOUB CGD O1D . . . . 7125 HEM_red 81 . SING CGD O2D . . . . 7125 HEM_red 82 . SING O2D H2D . . . . 7125 HEM_red stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7125 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HbCO A' '[U-13C; U-15N]' . . 1 $globin_subunit_alpha . . 1.2 . . mM . . . . 7125 1 2 'HbCO A' '[U-13C; U-15N]' . . 2 $globin_subunit_beta . . 1.0 . . mM . . . . 7125 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7125 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 7125 1 temperature 308 0.1 K 7125 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800Mhz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800Mhz _NMR_spectrometer.Entry_ID 7125 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'US2 spectrometer' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_500Mhz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500Mhz _NMR_spectrometer.Entry_ID 7125 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'US2 spectrometer with cyrpoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7125 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '4D 13C, 15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7125 1 2 '4D 13C, 13C-edited NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7125 1 3 '3D MQ-CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7125 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7125 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7125 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7125 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7125 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7125 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7125 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL HG11 H 1 0.712 0.016 . 2 . . . . 1 VAL HG1# . 7125 1 2 . 1 1 1 1 VAL HG12 H 1 0.712 0.016 . 2 . . . . 1 VAL HG1# . 7125 1 3 . 1 1 1 1 VAL HG13 H 1 0.712 0.016 . 2 . . . . 1 VAL HG1# . 7125 1 4 . 1 1 1 1 VAL CG1 C 13 20.596 0.045 . 2 . . . . 1 VAL CG1 . 7125 1 5 . 1 1 2 2 LEU HA H 1 4.619 0.004 . 1 . . . . 2 LEU HA . 7125 1 6 . 1 1 2 2 LEU HB2 H 1 1.762 0.022 . 2 . . . . 2 LEU HB2 . 7125 1 7 . 1 1 2 2 LEU HB3 H 1 1.550 0.009 . 2 . . . . 2 LEU HB3 . 7125 1 8 . 1 1 2 2 LEU HG H 1 1.846 0.008 . 1 . . . . 2 LEU HG . 7125 1 9 . 1 1 2 2 LEU HD11 H 1 0.889 0.013 . 2 . . . . 2 LEU HD1 . 7125 1 10 . 1 1 2 2 LEU HD12 H 1 0.889 0.013 . 2 . . . . 2 LEU HD1 . 7125 1 11 . 1 1 2 2 LEU HD13 H 1 0.889 0.013 . 2 . . . . 2 LEU HD1 . 7125 1 12 . 1 1 2 2 LEU HD21 H 1 1.017 0.010 . 2 . . . . 2 LEU HD2 . 7125 1 13 . 1 1 2 2 LEU HD22 H 1 1.017 0.010 . 2 . . . . 2 LEU HD2 . 7125 1 14 . 1 1 2 2 LEU HD23 H 1 1.017 0.010 . 2 . . . . 2 LEU HD2 . 7125 1 15 . 1 1 2 2 LEU CA C 13 54.825 0.079 . 1 . . . . 2 LEU CA . 7125 1 16 . 1 1 2 2 LEU CB C 13 43.310 0.079 . 1 . . . . 2 LEU CB . 7125 1 17 . 1 1 2 2 LEU CG C 13 28.300 0.156 . 1 . . . . 2 LEU CG . 7125 1 18 . 1 1 2 2 LEU CD1 C 13 24.724 0.103 . 2 . . . . 2 LEU CD1 . 7125 1 19 . 1 1 2 2 LEU CD2 C 13 26.410 0.051 . 2 . . . . 2 LEU CD2 . 7125 1 20 . 1 1 3 3 SER H H 1 9.855 0.011 . 1 . . . . 3 SER HN . 7125 1 21 . 1 1 3 3 SER CA C 13 56.771 0.000 . 1 . . . . 3 SER CA . 7125 1 22 . 1 1 3 3 SER N N 15 121.907 0.051 . 1 . . . . 3 SER N . 7125 1 23 . 1 1 5 5 ALA HA H 1 4.067 0.004 . 1 . . . . 5 ALA HA . 7125 1 24 . 1 1 5 5 ALA HB1 H 1 1.298 0.011 . 1 . . . . 5 ALA HB# . 7125 1 25 . 1 1 5 5 ALA HB2 H 1 1.298 0.011 . 1 . . . . 5 ALA HB# . 7125 1 26 . 1 1 5 5 ALA HB3 H 1 1.298 0.011 . 1 . . . . 5 ALA HB# . 7125 1 27 . 1 1 5 5 ALA CA C 13 55.050 0.134 . 1 . . . . 5 ALA CA . 7125 1 28 . 1 1 5 5 ALA CB C 13 18.425 0.085 . 1 . . . . 5 ALA CB . 7125 1 29 . 1 1 6 6 ASP H H 1 8.199 0.010 . 1 . . . . 6 ASP HN . 7125 1 30 . 1 1 6 6 ASP HA H 1 4.700 0.000 . 1 . . . . 6 ASP HA . 7125 1 31 . 1 1 6 6 ASP HB2 H 1 3.142 0.000 . 2 . . . . 6 ASP HB1 . 7125 1 32 . 1 1 6 6 ASP HB3 H 1 2.611 0.000 . 2 . . . . 6 ASP HB2 . 7125 1 33 . 1 1 6 6 ASP CA C 13 57.720 0.098 . 1 . . . . 6 ASP CA . 7125 1 34 . 1 1 6 6 ASP CB C 13 42.291 0.014 . 1 . . . . 6 ASP CB . 7125 1 35 . 1 1 6 6 ASP N N 15 118.496 0.056 . 1 . . . . 6 ASP N . 7125 1 36 . 1 1 7 7 LYS H H 1 8.066 0.009 . 1 . . . . 7 LYS HN . 7125 1 37 . 1 1 7 7 LYS HA H 1 3.653 0.012 . 1 . . . . 7 LYS HA . 7125 1 38 . 1 1 7 7 LYS HB2 H 1 1.892 0.051 . 2 . . . . 7 LYS HB2 . 7125 1 39 . 1 1 7 7 LYS HD2 H 1 1.638 0.000 . 2 . . . . 7 LYS HD1 . 7125 1 40 . 1 1 7 7 LYS HE2 H 1 2.759 0.012 . 2 . . . . 7 LYS HE2 . 7125 1 41 . 1 1 7 7 LYS CA C 13 61.360 0.089 . 1 . . . . 7 LYS CA . 7125 1 42 . 1 1 7 7 LYS CB C 13 31.936 0.168 . 1 . . . . 7 LYS CB . 7125 1 43 . 1 1 7 7 LYS CD C 13 29.794 0.000 . 1 . . . . 7 LYS CD . 7125 1 44 . 1 1 7 7 LYS CE C 13 42.069 0.029 . 1 . . . . 7 LYS CE . 7125 1 45 . 1 1 7 7 LYS N N 15 118.779 0.061 . 1 . . . . 7 LYS N . 7125 1 46 . 1 1 8 8 THR H H 1 8.040 0.010 . 1 . . . . 8 THR HN . 7125 1 47 . 1 1 8 8 THR HA H 1 3.806 0.006 . 1 . . . . 8 THR HA . 7125 1 48 . 1 1 8 8 THR HB H 1 4.216 0.004 . 1 . . . . 8 THR HB . 7125 1 49 . 1 1 8 8 THR HG21 H 1 1.209 0.020 . 1 . . . . 8 THR HG2# . 7125 1 50 . 1 1 8 8 THR HG22 H 1 1.209 0.020 . 1 . . . . 8 THR HG2# . 7125 1 51 . 1 1 8 8 THR HG23 H 1 1.209 0.020 . 1 . . . . 8 THR HG2# . 7125 1 52 . 1 1 8 8 THR CA C 13 66.926 0.096 . 1 . . . . 8 THR CA . 7125 1 53 . 1 1 8 8 THR CB C 13 68.798 0.060 . 1 . . . . 8 THR CB . 7125 1 54 . 1 1 8 8 THR CG2 C 13 22.093 0.062 . 1 . . . . 8 THR CG2 . 7125 1 55 . 1 1 8 8 THR N N 15 115.941 0.035 . 1 . . . . 8 THR N . 7125 1 56 . 1 1 9 9 ASN H H 1 8.431 0.019 . 1 . . . . 9 ASN HN . 7125 1 57 . 1 1 9 9 ASN HA H 1 4.511 0.011 . 1 . . . . 9 ASN HA . 7125 1 58 . 1 1 9 9 ASN HB2 H 1 3.205 0.032 . 2 . . . . 9 ASN HB2 . 7125 1 59 . 1 1 9 9 ASN HB3 H 1 2.514 0.000 . 2 . . . . 9 ASN HB3 . 7125 1 60 . 1 1 9 9 ASN CA C 13 55.787 0.168 . 1 . . . . 9 ASN CA . 7125 1 61 . 1 1 9 9 ASN CB C 13 38.215 0.081 . 1 . . . . 9 ASN CB . 7125 1 62 . 1 1 9 9 ASN N N 15 121.249 0.056 . 1 . . . . 9 ASN N . 7125 1 63 . 1 1 10 10 VAL H H 1 8.492 0.006 . 1 . . . . 10 VAL HN . 7125 1 64 . 1 1 10 10 VAL HA H 1 3.426 0.014 . 1 . . . . 10 VAL HA . 7125 1 65 . 1 1 10 10 VAL HB H 1 1.848 0.007 . 1 . . . . 10 VAL HB . 7125 1 66 . 1 1 10 10 VAL HG11 H 1 0.817 0.016 . 2 . . . . 10 VAL HG1# . 7125 1 67 . 1 1 10 10 VAL HG12 H 1 0.817 0.016 . 2 . . . . 10 VAL HG1# . 7125 1 68 . 1 1 10 10 VAL HG13 H 1 0.817 0.016 . 2 . . . . 10 VAL HG1# . 7125 1 69 . 1 1 10 10 VAL HG21 H 1 0.133 0.005 . 2 . . . . 10 VAL HG2# . 7125 1 70 . 1 1 10 10 VAL HG22 H 1 0.133 0.005 . 2 . . . . 10 VAL HG2# . 7125 1 71 . 1 1 10 10 VAL HG23 H 1 0.133 0.005 . 2 . . . . 10 VAL HG2# . 7125 1 72 . 1 1 10 10 VAL CA C 13 67.317 0.080 . 1 . . . . 10 VAL CA . 7125 1 73 . 1 1 10 10 VAL CB C 13 31.659 0.068 . 1 . . . . 10 VAL CB . 7125 1 74 . 1 1 10 10 VAL CG1 C 13 24.146 0.128 . 2 . . . . 10 VAL CG1 . 7125 1 75 . 1 1 10 10 VAL CG2 C 13 21.105 0.103 . 2 . . . . 10 VAL CG2 . 7125 1 76 . 1 1 10 10 VAL N N 15 119.653 0.054 . 1 . . . . 10 VAL N . 7125 1 77 . 1 1 11 11 LYS H H 1 8.027 0.010 . 1 . . . . 11 LYS HN . 7125 1 78 . 1 1 11 11 LYS HA H 1 3.797 0.017 . 1 . . . . 11 LYS HA . 7125 1 79 . 1 1 11 11 LYS HB2 H 1 1.840 0.013 . 2 . . . . 11 LYS HB2 . 7125 1 80 . 1 1 11 11 LYS HG2 H 1 1.488 0.019 . 2 . . . . 11 LYS HG2 . 7125 1 81 . 1 1 11 11 LYS HG3 H 1 1.308 0.001 . 2 . . . . 11 LYS HG3 . 7125 1 82 . 1 1 11 11 LYS HD2 H 1 1.600 0.017 . 2 . . . . 11 LYS HD2 . 7125 1 83 . 1 1 11 11 LYS HD3 H 1 1.807 0.002 . 2 . . . . 11 LYS HD3 . 7125 1 84 . 1 1 11 11 LYS HE2 H 1 2.876 0.003 . 2 . . . . 11 LYS HE2 . 7125 1 85 . 1 1 11 11 LYS CA C 13 60.534 0.084 . 1 . . . . 11 LYS CA . 7125 1 86 . 1 1 11 11 LYS CB C 13 32.730 0.095 . 1 . . . . 11 LYS CB . 7125 1 87 . 1 1 11 11 LYS CG C 13 26.532 0.096 . 1 . . . . 11 LYS CG . 7125 1 88 . 1 1 11 11 LYS CD C 13 29.907 0.081 . 1 . . . . 11 LYS CD . 7125 1 89 . 1 1 11 11 LYS CE C 13 42.266 0.058 . 1 . . . . 11 LYS CE . 7125 1 90 . 1 1 11 11 LYS N N 15 118.608 0.053 . 1 . . . . 11 LYS N . 7125 1 91 . 1 1 12 12 ALA H H 1 8.247 0.006 . 1 . . . . 12 ALA HN . 7125 1 92 . 1 1 12 12 ALA HA H 1 4.137 0.023 . 1 . . . . 12 ALA HA . 7125 1 93 . 1 1 12 12 ALA HB1 H 1 1.541 0.005 . 1 . . . . 12 ALA HB# . 7125 1 94 . 1 1 12 12 ALA HB2 H 1 1.541 0.005 . 1 . . . . 12 ALA HB# . 7125 1 95 . 1 1 12 12 ALA HB3 H 1 1.541 0.005 . 1 . . . . 12 ALA HB# . 7125 1 96 . 1 1 12 12 ALA CA C 13 55.086 0.088 . 1 . . . . 12 ALA CA . 7125 1 97 . 1 1 12 12 ALA CB C 13 18.299 0.096 . 1 . . . . 12 ALA CB . 7125 1 98 . 1 1 12 12 ALA N N 15 121.859 0.033 . 1 . . . . 12 ALA N . 7125 1 99 . 1 1 13 13 ALA H H 1 8.276 0.004 . 1 . . . . 13 ALA HN . 7125 1 100 . 1 1 13 13 ALA HA H 1 4.112 0.013 . 1 . . . . 13 ALA HA . 7125 1 101 . 1 1 13 13 ALA HB1 H 1 1.497 0.016 . 1 . . . . 13 ALA HB# . 7125 1 102 . 1 1 13 13 ALA HB2 H 1 1.497 0.016 . 1 . . . . 13 ALA HB# . 7125 1 103 . 1 1 13 13 ALA HB3 H 1 1.497 0.016 . 1 . . . . 13 ALA HB# . 7125 1 104 . 1 1 13 13 ALA CA C 13 55.424 0.146 . 1 . . . . 13 ALA CA . 7125 1 105 . 1 1 13 13 ALA CB C 13 18.477 0.077 . 1 . . . . 13 ALA CB . 7125 1 106 . 1 1 13 13 ALA N N 15 120.871 0.030 . 1 . . . . 13 ALA N . 7125 1 107 . 1 1 14 14 TRP H H 1 9.104 0.005 . 1 . . . . 14 TRP HN . 7125 1 108 . 1 1 14 14 TRP HA H 1 4.224 0.020 . 1 . . . . 14 TRP HA . 7125 1 109 . 1 1 14 14 TRP HB2 H 1 3.190 0.040 . 2 . . . . 14 TRP HB2 . 7125 1 110 . 1 1 14 14 TRP HB3 H 1 3.303 0.000 . 2 . . . . 14 TRP HB3 . 7125 1 111 . 1 1 14 14 TRP HD1 H 1 7.269 0.004 . 1 . . . . 14 TRP HD1 . 7125 1 112 . 1 1 14 14 TRP HE1 H 1 10.418 0.010 . 1 . . . . 14 TRP HE1 . 7125 1 113 . 1 1 14 14 TRP HE3 H 1 7.218 0.005 . 1 . . . . 14 TRP HE3 . 7125 1 114 . 1 1 14 14 TRP HZ2 H 1 7.492 0.005 . 1 . . . . 14 TRP HZ2 . 7125 1 115 . 1 1 14 14 TRP HZ3 H 1 6.886 0.015 . 1 . . . . 14 TRP HZ3 . 7125 1 116 . 1 1 14 14 TRP HH2 H 1 6.922 0.006 . 1 . . . . 14 TRP HH2 . 7125 1 117 . 1 1 14 14 TRP CA C 13 60.104 0.073 . 1 . . . . 14 TRP CA . 7125 1 118 . 1 1 14 14 TRP CB C 13 29.331 0.142 . 1 . . . . 14 TRP CB . 7125 1 119 . 1 1 14 14 TRP CD1 C 13 126.651 0.147 . 1 . . . . 14 TRP CD1 . 7125 1 120 . 1 1 14 14 TRP CE3 C 13 119.535 0.025 . 1 . . . . 14 TRP CE3 . 7125 1 121 . 1 1 14 14 TRP CZ2 C 13 114.716 0.120 . 1 . . . . 14 TRP CZ2 . 7125 1 122 . 1 1 14 14 TRP CZ3 C 13 120.451 0.045 . 1 . . . . 14 TRP CZ3 . 7125 1 123 . 1 1 14 14 TRP CH2 C 13 122.811 0.086 . 1 . . . . 14 TRP CH2 . 7125 1 124 . 1 1 14 14 TRP N N 15 117.681 0.077 . 1 . . . . 14 TRP N . 7125 1 125 . 1 1 14 14 TRP NE1 N 15 129.654 0.023 . 1 . . . . 14 TRP NE1 . 7125 1 126 . 1 1 15 15 GLY H H 1 8.036 0.012 . 1 . . . . 15 GLY HN . 7125 1 127 . 1 1 15 15 GLY HA2 H 1 3.915 0.001 . 2 . . . . 15 GLY HA2 . 7125 1 128 . 1 1 15 15 GLY CA C 13 46.894 0.067 . 1 . . . . 15 GLY CA . 7125 1 129 . 1 1 15 15 GLY N N 15 105.952 0.055 . 1 . . . . 15 GLY N . 7125 1 130 . 1 1 16 16 LYS H H 1 7.333 0.009 . 1 . . . . 16 LYS HN . 7125 1 131 . 1 1 16 16 LYS HA H 1 4.135 0.008 . 1 . . . . 16 LYS HA . 7125 1 132 . 1 1 16 16 LYS HB2 H 1 1.992 0.012 . 2 . . . . 16 LYS HB2 . 7125 1 133 . 1 1 16 16 LYS HB3 H 1 1.856 0.001 . 2 . . . . 16 LYS HB3 . 7125 1 134 . 1 1 16 16 LYS HG2 H 1 1.537 0.008 . 2 . . . . 16 LYS HG2 . 7125 1 135 . 1 1 16 16 LYS HG3 H 1 1.492 0.018 . 2 . . . . 16 LYS HG3 . 7125 1 136 . 1 1 16 16 LYS HD2 H 1 1.632 0.005 . 2 . . . . 16 LYS HD2 . 7125 1 137 . 1 1 16 16 LYS HD3 H 1 1.575 0.000 . 2 . . . . 16 LYS HD3 . 7125 1 138 . 1 1 16 16 LYS HE2 H 1 2.946 0.010 . 2 . . . . 16 LYS HE2 . 7125 1 139 . 1 1 16 16 LYS CA C 13 56.998 0.071 . 1 . . . . 16 LYS CA . 7125 1 140 . 1 1 16 16 LYS CB C 13 32.049 0.110 . 1 . . . . 16 LYS CB . 7125 1 141 . 1 1 16 16 LYS CG C 13 25.020 0.134 . 1 . . . . 16 LYS CG . 7125 1 142 . 1 1 16 16 LYS CD C 13 28.335 0.049 . 1 . . . . 16 LYS CD . 7125 1 143 . 1 1 16 16 LYS CE C 13 42.237 0.031 . 1 . . . . 16 LYS CE . 7125 1 144 . 1 1 16 16 LYS N N 15 119.990 0.026 . 1 . . . . 16 LYS N . 7125 1 145 . 1 1 17 17 VAL H H 1 7.515 0.007 . 1 . . . . 17 VAL HN . 7125 1 146 . 1 1 17 17 VAL HA H 1 3.277 0.010 . 1 . . . . 17 VAL HA . 7125 1 147 . 1 1 17 17 VAL HB H 1 1.554 0.011 . 1 . . . . 17 VAL HB . 7125 1 148 . 1 1 17 17 VAL HG11 H 1 0.529 0.010 . 2 . . . . 17 VAL HG1# . 7125 1 149 . 1 1 17 17 VAL HG12 H 1 0.529 0.010 . 2 . . . . 17 VAL HG1# . 7125 1 150 . 1 1 17 17 VAL HG13 H 1 0.529 0.010 . 2 . . . . 17 VAL HG1# . 7125 1 151 . 1 1 17 17 VAL HG21 H 1 -0.017 0.008 . 2 . . . . 17 VAL HG2# . 7125 1 152 . 1 1 17 17 VAL HG22 H 1 -0.017 0.008 . 2 . . . . 17 VAL HG2# . 7125 1 153 . 1 1 17 17 VAL HG23 H 1 -0.017 0.008 . 2 . . . . 17 VAL HG2# . 7125 1 154 . 1 1 17 17 VAL CA C 13 66.444 0.055 . 1 . . . . 17 VAL CA . 7125 1 155 . 1 1 17 17 VAL CB C 13 31.037 0.089 . 1 . . . . 17 VAL CB . 7125 1 156 . 1 1 17 17 VAL CG1 C 13 22.606 0.091 . 2 . . . . 17 VAL CG1 . 7125 1 157 . 1 1 17 17 VAL CG2 C 13 20.377 0.106 . 2 . . . . 17 VAL CG2 . 7125 1 158 . 1 1 17 17 VAL N N 15 121.012 0.042 . 1 . . . . 17 VAL N . 7125 1 159 . 1 1 18 18 GLY H H 1 7.202 0.007 . 1 . . . . 18 GLY HN . 7125 1 160 . 1 1 18 18 GLY HA2 H 1 3.607 0.018 . 2 . . . . 18 GLY HA2 . 7125 1 161 . 1 1 18 18 GLY CA C 13 47.329 0.067 . 1 . . . . 18 GLY CA . 7125 1 162 . 1 1 18 18 GLY N N 15 102.927 0.038 . 1 . . . . 18 GLY N . 7125 1 163 . 1 1 19 19 ALA HA H 1 4.096 0.007 . 1 . . . . 19 ALA HA . 7125 1 164 . 1 1 19 19 ALA HB1 H 1 1.158 0.012 . 1 . . . . 19 ALA HB# . 7125 1 165 . 1 1 19 19 ALA HB2 H 1 1.158 0.012 . 1 . . . . 19 ALA HB# . 7125 1 166 . 1 1 19 19 ALA HB3 H 1 1.158 0.012 . 1 . . . . 19 ALA HB# . 7125 1 167 . 1 1 19 19 ALA CA C 13 53.424 0.065 . 1 . . . . 19 ALA CA . 7125 1 168 . 1 1 19 19 ALA CB C 13 18.346 0.074 . 1 . . . . 19 ALA CB . 7125 1 169 . 1 1 20 20 HIS H H 1 7.775 0.009 . 1 . . . . 20 HIS HN . 7125 1 170 . 1 1 20 20 HIS HA H 1 4.336 0.016 . 1 . . . . 20 HIS HA . 7125 1 171 . 1 1 20 20 HIS HB2 H 1 2.367 0.008 . 2 . . . . 20 HIS HB2 . 7125 1 172 . 1 1 20 20 HIS HB3 H 1 1.993 0.000 . 2 . . . . 20 HIS HB3 . 7125 1 173 . 1 1 20 20 HIS HD2 H 1 7.110 0.011 . 1 . . . . 20 HIS HD2 . 7125 1 174 . 1 1 20 20 HIS HE1 H 1 8.079 0.000 . 1 . . . . 20 HIS HE1 . 7125 1 175 . 1 1 20 20 HIS CA C 13 55.806 0.154 . 1 . . . . 20 HIS CA . 7125 1 176 . 1 1 20 20 HIS CB C 13 29.046 0.059 . 1 . . . . 20 HIS CB . 7125 1 177 . 1 1 20 20 HIS CD2 C 13 121.690 0.093 . 1 . . . . 20 HIS CD2 . 7125 1 178 . 1 1 20 20 HIS CE1 C 13 137.887 0.000 . 1 . . . . 20 HIS CE1 . 7125 1 179 . 1 1 20 20 HIS N N 15 115.262 0.057 . 1 . . . . 20 HIS N . 7125 1 180 . 1 1 21 21 ALA H H 1 7.026 0.007 . 1 . . . . 21 ALA HN . 7125 1 181 . 1 1 21 21 ALA HA H 1 3.133 0.011 . 1 . . . . 21 ALA HA . 7125 1 182 . 1 1 21 21 ALA HB1 H 1 1.272 0.010 . 1 . . . . 21 ALA HB# . 7125 1 183 . 1 1 21 21 ALA HB2 H 1 1.272 0.010 . 1 . . . . 21 ALA HB# . 7125 1 184 . 1 1 21 21 ALA HB3 H 1 1.272 0.010 . 1 . . . . 21 ALA HB# . 7125 1 185 . 1 1 21 21 ALA CA C 13 56.702 0.072 . 1 . . . . 21 ALA CA . 7125 1 186 . 1 1 21 21 ALA CB C 13 18.621 0.124 . 1 . . . . 21 ALA CB . 7125 1 187 . 1 1 21 21 ALA N N 15 121.980 0.060 . 1 . . . . 21 ALA N . 7125 1 188 . 1 1 22 22 GLY H H 1 8.487 0.009 . 1 . . . . 22 GLY HN . 7125 1 189 . 1 1 22 22 GLY HA2 H 1 3.652 0.038 . 2 . . . . 22 GLY HA2 . 7125 1 190 . 1 1 22 22 GLY CA C 13 47.598 0.205 . 1 . . . . 22 GLY CA . 7125 1 191 . 1 1 22 22 GLY N N 15 104.309 0.148 . 1 . . . . 22 GLY N . 7125 1 192 . 1 1 23 23 GLU H H 1 7.747 0.007 . 1 . . . . 23 GLU HN . 7125 1 193 . 1 1 23 23 GLU HA H 1 3.926 0.005 . 1 . . . . 23 GLU HA . 7125 1 194 . 1 1 23 23 GLU HB2 H 1 1.976 0.018 . 2 . . . . 23 GLU HB2 . 7125 1 195 . 1 1 23 23 GLU HB3 H 1 1.918 0.006 . 2 . . . . 23 GLU HB3 . 7125 1 196 . 1 1 23 23 GLU HG2 H 1 2.207 0.016 . 2 . . . . 23 GLU HG2 . 7125 1 197 . 1 1 23 23 GLU HG3 H 1 2.162 0.000 . 2 . . . . 23 GLU HG3 . 7125 1 198 . 1 1 23 23 GLU CA C 13 59.204 0.074 . 1 . . . . 23 GLU CA . 7125 1 199 . 1 1 23 23 GLU CB C 13 29.158 0.100 . 1 . . . . 23 GLU CB . 7125 1 200 . 1 1 23 23 GLU CG C 13 36.198 0.091 . 1 . . . . 23 GLU CG . 7125 1 201 . 1 1 23 23 GLU N N 15 124.174 0.064 . 1 . . . . 23 GLU N . 7125 1 202 . 1 1 24 24 TYR H H 1 8.012 0.012 . 1 . . . . 24 TYR HN . 7125 1 203 . 1 1 24 24 TYR HA H 1 4.313 0.008 . 1 . . . . 24 TYR HA . 7125 1 204 . 1 1 24 24 TYR HD1 H 1 6.321 0.009 . 3 . . . . 24 TYR HD1 . 7125 1 205 . 1 1 24 24 TYR HE1 H 1 6.101 0.003 . 3 . . . . 24 TYR HE1 . 7125 1 206 . 1 1 24 24 TYR CA C 13 57.295 0.074 . 1 . . . . 24 TYR CA . 7125 1 207 . 1 1 24 24 TYR CD1 C 13 130.717 0.171 . 3 . . . . 24 TYR CD1 . 7125 1 208 . 1 1 24 24 TYR CE1 C 13 117.524 0.065 . 3 . . . . 24 TYR CE1 . 7125 1 209 . 1 1 24 24 TYR N N 15 120.893 0.087 . 1 . . . . 24 TYR N . 7125 1 210 . 1 1 25 25 GLY H H 1 8.843 0.009 . 1 . . . . 25 GLY HN . 7125 1 211 . 1 1 25 25 GLY HA2 H 1 3.237 0.001 . 2 . . . . 25 GLY HA2 . 7125 1 212 . 1 1 25 25 GLY HA3 H 1 3.634 0.013 . 2 . . . . 25 GLY HA3 . 7125 1 213 . 1 1 25 25 GLY CA C 13 46.897 0.094 . 1 . . . . 25 GLY CA . 7125 1 214 . 1 1 25 25 GLY N N 15 107.738 0.046 . 1 . . . . 25 GLY N . 7125 1 215 . 1 1 26 26 ALA H H 1 7.772 0.004 . 1 . . . . 26 ALA HN . 7125 1 216 . 1 1 26 26 ALA HA H 1 3.587 0.013 . 1 . . . . 26 ALA HA . 7125 1 217 . 1 1 26 26 ALA HB1 H 1 1.416 0.012 . 1 . . . . 26 ALA HB# . 7125 1 218 . 1 1 26 26 ALA HB2 H 1 1.416 0.012 . 1 . . . . 26 ALA HB# . 7125 1 219 . 1 1 26 26 ALA HB3 H 1 1.416 0.012 . 1 . . . . 26 ALA HB# . 7125 1 220 . 1 1 26 26 ALA CA C 13 55.071 0.069 . 1 . . . . 26 ALA CA . 7125 1 221 . 1 1 26 26 ALA CB C 13 19.366 0.088 . 1 . . . . 26 ALA CB . 7125 1 222 . 1 1 26 26 ALA N N 15 121.351 0.024 . 1 . . . . 26 ALA N . 7125 1 223 . 1 1 27 27 GLU H H 1 7.903 0.008 . 1 . . . . 27 GLU HN . 7125 1 224 . 1 1 27 27 GLU HA H 1 3.938 0.008 . 1 . . . . 27 GLU HA . 7125 1 225 . 1 1 27 27 GLU HB2 H 1 2.211 0.014 . 2 . . . . 27 GLU HB2 . 7125 1 226 . 1 1 27 27 GLU HG2 H 1 2.408 0.000 . 2 . . . . 27 GLU HG2 . 7125 1 227 . 1 1 27 27 GLU CA C 13 59.248 0.099 . 1 . . . . 27 GLU CA . 7125 1 228 . 1 1 27 27 GLU CB C 13 29.494 0.048 . 1 . . . . 27 GLU CB . 7125 1 229 . 1 1 27 27 GLU CG C 13 37.646 0.000 . 1 . . . . 27 GLU CG . 7125 1 230 . 1 1 27 27 GLU N N 15 119.488 0.039 . 1 . . . . 27 GLU N . 7125 1 231 . 1 1 28 28 ALA H H 1 8.371 0.007 . 1 . . . . 28 ALA HN . 7125 1 232 . 1 1 28 28 ALA HA H 1 3.470 0.019 . 1 . . . . 28 ALA HA . 7125 1 233 . 1 1 28 28 ALA HB1 H 1 1.130 0.008 . 1 . . . . 28 ALA HB# . 7125 1 234 . 1 1 28 28 ALA HB2 H 1 1.130 0.008 . 1 . . . . 28 ALA HB# . 7125 1 235 . 1 1 28 28 ALA HB3 H 1 1.130 0.008 . 1 . . . . 28 ALA HB# . 7125 1 236 . 1 1 28 28 ALA CA C 13 55.939 0.083 . 1 . . . . 28 ALA CA . 7125 1 237 . 1 1 28 28 ALA CB C 13 17.804 0.111 . 1 . . . . 28 ALA CB . 7125 1 238 . 1 1 28 28 ALA N N 15 121.871 0.054 . 1 . . . . 28 ALA N . 7125 1 239 . 1 1 29 29 LEU H H 1 7.076 0.007 . 1 . . . . 29 LEU HN . 7125 1 240 . 1 1 29 29 LEU HA H 1 2.934 0.010 . 1 . . . . 29 LEU HA . 7125 1 241 . 1 1 29 29 LEU HB2 H 1 1.370 0.000 . 2 . . . . 29 LEU HB1 . 7125 1 242 . 1 1 29 29 LEU HB3 H 1 1.444 0.000 . 2 . . . . 29 LEU HB2 . 7125 1 243 . 1 1 29 29 LEU HG H 1 0.966 0.005 . 1 . . . . 29 LEU HG . 7125 1 244 . 1 1 29 29 LEU HD11 H 1 -0.221 0.006 . 2 . . . . 29 LEU HD1 . 7125 1 245 . 1 1 29 29 LEU HD12 H 1 -0.221 0.006 . 2 . . . . 29 LEU HD1 . 7125 1 246 . 1 1 29 29 LEU HD13 H 1 -0.221 0.006 . 2 . . . . 29 LEU HD1 . 7125 1 247 . 1 1 29 29 LEU HD21 H 1 -0.851 0.009 . 2 . . . . 29 LEU HD2 . 7125 1 248 . 1 1 29 29 LEU HD22 H 1 -0.851 0.009 . 2 . . . . 29 LEU HD2 . 7125 1 249 . 1 1 29 29 LEU HD23 H 1 -0.851 0.009 . 2 . . . . 29 LEU HD2 . 7125 1 250 . 1 1 29 29 LEU CA C 13 57.627 0.143 . 1 . . . . 29 LEU CA . 7125 1 251 . 1 1 29 29 LEU CB C 13 40.606 0.084 . 1 . . . . 29 LEU CB . 7125 1 252 . 1 1 29 29 LEU CG C 13 25.906 0.187 . 1 . . . . 29 LEU CG . 7125 1 253 . 1 1 29 29 LEU CD1 C 13 26.459 0.103 . 2 . . . . 29 LEU CD1 . 7125 1 254 . 1 1 29 29 LEU CD2 C 13 21.185 0.059 . 2 . . . . 29 LEU CD2 . 7125 1 255 . 1 1 29 29 LEU N N 15 115.704 0.044 . 1 . . . . 29 LEU N . 7125 1 256 . 1 1 30 30 GLU H H 1 7.838 0.003 . 1 . . . . 30 GLU HN . 7125 1 257 . 1 1 30 30 GLU HA H 1 3.797 0.015 . 1 . . . . 30 GLU HA . 7125 1 258 . 1 1 30 30 GLU HB2 H 1 1.999 0.011 . 2 . . . . 30 GLU HB2 . 7125 1 259 . 1 1 30 30 GLU HG2 H 1 2.409 0.014 . 2 . . . . 30 GLU HG2 . 7125 1 260 . 1 1 30 30 GLU HG3 H 1 1.967 0.011 . 2 . . . . 30 GLU HG3 . 7125 1 261 . 1 1 30 30 GLU CA C 13 60.610 0.141 . 1 . . . . 30 GLU CA . 7125 1 262 . 1 1 30 30 GLU CB C 13 29.695 0.089 . 1 . . . . 30 GLU CB . 7125 1 263 . 1 1 30 30 GLU CG C 13 36.901 0.124 . 1 . . . . 30 GLU CG . 7125 1 264 . 1 1 30 30 GLU N N 15 118.191 0.057 . 1 . . . . 30 GLU N . 7125 1 265 . 1 1 31 31 ARG H H 1 8.711 0.004 . 1 . . . . 31 ARG HN . 7125 1 266 . 1 1 31 31 ARG HA H 1 3.688 0.052 . 1 . . . . 31 ARG HA . 7125 1 267 . 1 1 31 31 ARG CA C 13 60.694 0.016 . 1 . . . . 31 ARG CA . 7125 1 268 . 1 1 31 31 ARG N N 15 116.389 0.049 . 1 . . . . 31 ARG N . 7125 1 269 . 1 1 32 32 MET H H 1 7.981 0.004 . 1 . . . . 32 MET HN . 7125 1 270 . 1 1 32 32 MET HA H 1 4.044 0.011 . 1 . . . . 32 MET HA . 7125 1 271 . 1 1 32 32 MET HE1 H 1 1.151 0.010 . 1 . . . . 32 MET HE# . 7125 1 272 . 1 1 32 32 MET HE2 H 1 1.151 0.010 . 1 . . . . 32 MET HE# . 7125 1 273 . 1 1 32 32 MET HE3 H 1 1.151 0.010 . 1 . . . . 32 MET HE# . 7125 1 274 . 1 1 32 32 MET CA C 13 60.566 0.074 . 1 . . . . 32 MET CA . 7125 1 275 . 1 1 32 32 MET CE C 13 16.122 0.089 . 1 . . . . 32 MET CE . 7125 1 276 . 1 1 32 32 MET N N 15 123.049 0.036 . 1 . . . . 32 MET N . 7125 1 277 . 1 1 33 33 PHE H H 1 8.427 0.008 . 1 . . . . 33 PHE HN . 7125 1 278 . 1 1 33 33 PHE HA H 1 4.300 0.001 . 1 . . . . 33 PHE HA . 7125 1 279 . 1 1 33 33 PHE HB2 H 1 2.871 0.000 . 2 . . . . 33 PHE HB1 . 7125 1 280 . 1 1 33 33 PHE HB3 H 1 2.860 0.000 . 2 . . . . 33 PHE HB2 . 7125 1 281 . 1 1 33 33 PHE HD1 H 1 6.923 0.000 . 3 . . . . 33 PHE HD1 . 7125 1 282 . 1 1 33 33 PHE CA C 13 58.757 0.109 . 1 . . . . 33 PHE CA . 7125 1 283 . 1 1 33 33 PHE CB C 13 38.125 0.005 . 1 . . . . 33 PHE CB . 7125 1 284 . 1 1 33 33 PHE CD1 C 13 131.065 0.000 . 3 . . . . 33 PHE CD1 . 7125 1 285 . 1 1 33 33 PHE N N 15 118.363 0.081 . 1 . . . . 33 PHE N . 7125 1 286 . 1 1 34 34 LEU H H 1 7.683 0.010 . 1 . . . . 34 LEU HN . 7125 1 287 . 1 1 34 34 LEU HA H 1 4.161 0.014 . 1 . . . . 34 LEU HA . 7125 1 288 . 1 1 34 34 LEU HB2 H 1 1.294 0.011 . 2 . . . . 34 LEU HB2 . 7125 1 289 . 1 1 34 34 LEU HB3 H 1 1.543 0.017 . 2 . . . . 34 LEU HB3 . 7125 1 290 . 1 1 34 34 LEU HG H 1 1.709 0.013 . 1 . . . . 34 LEU HG . 7125 1 291 . 1 1 34 34 LEU HD11 H 1 0.713 0.013 . 2 . . . . 34 LEU HD1 . 7125 1 292 . 1 1 34 34 LEU HD12 H 1 0.713 0.013 . 2 . . . . 34 LEU HD1 . 7125 1 293 . 1 1 34 34 LEU HD13 H 1 0.713 0.013 . 2 . . . . 34 LEU HD1 . 7125 1 294 . 1 1 34 34 LEU HD21 H 1 0.735 0.013 . 2 . . . . 34 LEU HD2 . 7125 1 295 . 1 1 34 34 LEU HD22 H 1 0.735 0.013 . 2 . . . . 34 LEU HD2 . 7125 1 296 . 1 1 34 34 LEU HD23 H 1 0.735 0.013 . 2 . . . . 34 LEU HD2 . 7125 1 297 . 1 1 34 34 LEU CA C 13 56.883 0.121 . 1 . . . . 34 LEU CA . 7125 1 298 . 1 1 34 34 LEU CB C 13 43.305 0.108 . 1 . . . . 34 LEU CB . 7125 1 299 . 1 1 34 34 LEU CG C 13 27.268 0.136 . 1 . . . . 34 LEU CG . 7125 1 300 . 1 1 34 34 LEU CD1 C 13 25.605 0.078 . 2 . . . . 34 LEU CD1 . 7125 1 301 . 1 1 34 34 LEU CD2 C 13 23.591 0.093 . 2 . . . . 34 LEU CD2 . 7125 1 302 . 1 1 34 34 LEU N N 15 114.109 0.050 . 1 . . . . 34 LEU N . 7125 1 303 . 1 1 35 35 SER H H 1 7.983 0.012 . 1 . . . . 35 SER HN . 7125 1 304 . 1 1 35 35 SER HA H 1 3.824 0.014 . 1 . . . . 35 SER HA . 7125 1 305 . 1 1 35 35 SER HB2 H 1 3.389 0.036 . 2 . . . . 35 SER HB2 . 7125 1 306 . 1 1 35 35 SER CA C 13 62.956 0.100 . 1 . . . . 35 SER CA . 7125 1 307 . 1 1 35 35 SER CB C 13 64.530 0.071 . 1 . . . . 35 SER CB . 7125 1 308 . 1 1 35 35 SER N N 15 112.887 0.064 . 1 . . . . 35 SER N . 7125 1 309 . 1 1 36 36 PHE H H 1 8.381 0.007 . 1 . . . . 36 PHE HN . 7125 1 310 . 1 1 36 36 PHE HA H 1 5.366 0.009 . 1 . . . . 36 PHE HA . 7125 1 311 . 1 1 36 36 PHE HB2 H 1 3.233 0.000 . 2 . . . . 36 PHE HB2 . 7125 1 312 . 1 1 36 36 PHE HD1 H 1 7.323 0.051 . 3 . . . . 36 PHE HD1 . 7125 1 313 . 1 1 36 36 PHE CA C 13 54.600 0.131 . 1 . . . . 36 PHE CA . 7125 1 314 . 1 1 36 36 PHE CB C 13 39.552 0.000 . 1 . . . . 36 PHE CB . 7125 1 315 . 1 1 36 36 PHE CD1 C 13 134.665 0.501 . 3 . . . . 36 PHE CD1 . 7125 1 316 . 1 1 36 36 PHE N N 15 117.621 0.048 . 1 . . . . 36 PHE N . 7125 1 317 . 1 1 37 37 PRO HG2 H 1 2.070 0.020 . 2 . . . . 37 PRO HG2 . 7125 1 318 . 1 1 37 37 PRO HD2 H 1 3.418 0.005 . 2 . . . . 37 PRO HD1 . 7125 1 319 . 1 1 37 37 PRO HD3 H 1 3.804 0.022 . 2 . . . . 37 PRO HD2 . 7125 1 320 . 1 1 37 37 PRO CG C 13 27.602 0.099 . 1 . . . . 37 PRO CG . 7125 1 321 . 1 1 37 37 PRO CD C 13 50.837 0.137 . 1 . . . . 37 PRO CD . 7125 1 322 . 1 1 38 38 THR H H 1 8.376 0.008 . 1 . . . . 38 THR HN . 7125 1 323 . 1 1 38 38 THR HA H 1 4.105 0.014 . 1 . . . . 38 THR HA . 7125 1 324 . 1 1 38 38 THR HB H 1 4.484 0.007 . 1 . . . . 38 THR HB . 7125 1 325 . 1 1 38 38 THR HG21 H 1 1.348 0.013 . 1 . . . . 38 THR HG2# . 7125 1 326 . 1 1 38 38 THR HG22 H 1 1.348 0.013 . 1 . . . . 38 THR HG2# . 7125 1 327 . 1 1 38 38 THR HG23 H 1 1.348 0.013 . 1 . . . . 38 THR HG2# . 7125 1 328 . 1 1 38 38 THR CA C 13 65.837 0.054 . 1 . . . . 38 THR CA . 7125 1 329 . 1 1 38 38 THR CB C 13 68.101 0.011 . 1 . . . . 38 THR CB . 7125 1 330 . 1 1 38 38 THR CG2 C 13 23.270 0.092 . 1 . . . . 38 THR CG2 . 7125 1 331 . 1 1 38 38 THR N N 15 113.016 0.107 . 1 . . . . 38 THR N . 7125 1 332 . 1 1 39 39 THR H H 1 8.885 0.005 . 1 . . . . 39 THR HN . 7125 1 333 . 1 1 39 39 THR HA H 1 4.471 0.012 . 1 . . . . 39 THR HA . 7125 1 334 . 1 1 39 39 THR HB H 1 4.571 0.010 . 1 . . . . 39 THR HB . 7125 1 335 . 1 1 39 39 THR HG21 H 1 1.815 0.007 . 1 . . . . 39 THR HG2# . 7125 1 336 . 1 1 39 39 THR HG22 H 1 1.815 0.007 . 1 . . . . 39 THR HG2# . 7125 1 337 . 1 1 39 39 THR HG23 H 1 1.815 0.007 . 1 . . . . 39 THR HG2# . 7125 1 338 . 1 1 39 39 THR CA C 13 66.703 0.103 . 1 . . . . 39 THR CA . 7125 1 339 . 1 1 39 39 THR CB C 13 70.912 0.062 . 1 . . . . 39 THR CB . 7125 1 340 . 1 1 39 39 THR CG2 C 13 23.180 0.061 . 1 . . . . 39 THR CG2 . 7125 1 341 . 1 1 39 39 THR N N 15 115.055 0.096 . 1 . . . . 39 THR N . 7125 1 342 . 1 1 40 40 LYS H H 1 7.791 0.007 . 1 . . . . 40 LYS HN . 7125 1 343 . 1 1 40 40 LYS HA H 1 3.904 0.009 . 1 . . . . 40 LYS HA . 7125 1 344 . 1 1 40 40 LYS HB2 H 1 2.003 0.000 . 2 . . . . 40 LYS HB2 . 7125 1 345 . 1 1 40 40 LYS HB3 H 1 1.747 0.000 . 2 . . . . 40 LYS HB3 . 7125 1 346 . 1 1 40 40 LYS HG2 H 1 1.075 0.000 . 2 . . . . 40 LYS HG2 . 7125 1 347 . 1 1 40 40 LYS HG3 H 1 1.811 0.000 . 2 . . . . 40 LYS HG3 . 7125 1 348 . 1 1 40 40 LYS HD2 H 1 1.662 0.000 . 2 . . . . 40 LYS HD1 . 7125 1 349 . 1 1 40 40 LYS HD3 H 1 1.731 0.000 . 2 . . . . 40 LYS HD2 . 7125 1 350 . 1 1 40 40 LYS HE2 H 1 2.880 0.017 . 2 . . . . 40 LYS HE2 . 7125 1 351 . 1 1 40 40 LYS CA C 13 59.840 0.055 . 1 . . . . 40 LYS CA . 7125 1 352 . 1 1 40 40 LYS CB C 13 29.569 0.036 . 1 . . . . 40 LYS CB . 7125 1 353 . 1 1 40 40 LYS CG C 13 26.450 0.009 . 1 . . . . 40 LYS CG . 7125 1 354 . 1 1 40 40 LYS CD C 13 29.771 0.029 . 1 . . . . 40 LYS CD . 7125 1 355 . 1 1 40 40 LYS CE C 13 41.798 0.017 . 1 . . . . 40 LYS CE . 7125 1 356 . 1 1 40 40 LYS N N 15 118.342 0.047 . 1 . . . . 40 LYS N . 7125 1 357 . 1 1 41 41 THR H H 1 7.833 0.006 . 1 . . . . 41 THR HN . 7125 1 358 . 1 1 41 41 THR HA H 1 4.050 0.024 . 1 . . . . 41 THR HA . 7125 1 359 . 1 1 41 41 THR HB H 1 4.255 0.014 . 1 . . . . 41 THR HB . 7125 1 360 . 1 1 41 41 THR HG21 H 1 1.183 0.007 . 1 . . . . 41 THR HG2# . 7125 1 361 . 1 1 41 41 THR HG22 H 1 1.183 0.007 . 1 . . . . 41 THR HG2# . 7125 1 362 . 1 1 41 41 THR HG23 H 1 1.183 0.007 . 1 . . . . 41 THR HG2# . 7125 1 363 . 1 1 41 41 THR CA C 13 64.608 0.047 . 1 . . . . 41 THR CA . 7125 1 364 . 1 1 41 41 THR CB C 13 69.505 0.027 . 1 . . . . 41 THR CB . 7125 1 365 . 1 1 41 41 THR CG2 C 13 21.443 0.112 . 1 . . . . 41 THR CG2 . 7125 1 366 . 1 1 41 41 THR N N 15 111.203 0.086 . 1 . . . . 41 THR N . 7125 1 367 . 1 1 42 42 TYR H H 1 7.512 0.007 . 1 . . . . 42 TYR HN . 7125 1 368 . 1 1 42 42 TYR HA H 1 4.474 0.010 . 1 . . . . 42 TYR HA . 7125 1 369 . 1 1 42 42 TYR HD1 H 1 7.699 0.008 . 3 . . . . 42 TYR HD1 . 7125 1 370 . 1 1 42 42 TYR HE1 H 1 7.120 0.003 . 3 . . . . 42 TYR HE1 . 7125 1 371 . 1 1 42 42 TYR CA C 13 60.613 0.029 . 1 . . . . 42 TYR CA . 7125 1 372 . 1 1 42 42 TYR CD1 C 13 133.178 0.164 . 3 . . . . 42 TYR CD1 . 7125 1 373 . 1 1 42 42 TYR CE1 C 13 121.710 0.042 . 3 . . . . 42 TYR CE1 . 7125 1 374 . 1 1 42 42 TYR N N 15 116.894 0.037 . 1 . . . . 42 TYR N . 7125 1 375 . 1 1 43 43 PHE H H 1 7.835 0.009 . 1 . . . . 43 PHE HN . 7125 1 376 . 1 1 43 43 PHE HA H 1 4.861 0.000 . 1 . . . . 43 PHE HA . 7125 1 377 . 1 1 43 43 PHE HB2 H 1 2.337 0.004 . 2 . . . . 43 PHE HB2 . 7125 1 378 . 1 1 43 43 PHE HD1 H 1 6.098 0.000 . 3 . . . . 43 PHE HD1 . 7125 1 379 . 1 1 43 43 PHE CA C 13 55.335 0.015 . 1 . . . . 43 PHE CA . 7125 1 380 . 1 1 43 43 PHE CB C 13 40.195 0.060 . 1 . . . . 43 PHE CB . 7125 1 381 . 1 1 43 43 PHE CD1 C 13 132.720 0.000 . 3 . . . . 43 PHE CD1 . 7125 1 382 . 1 1 43 43 PHE N N 15 116.967 0.080 . 1 . . . . 43 PHE N . 7125 1 383 . 1 1 44 44 PRO HA H 1 4.457 0.000 . 1 . . . . 44 PRO HA . 7125 1 384 . 1 1 44 44 PRO HG2 H 1 2.058 0.000 . 2 . . . . 44 PRO HG1 . 7125 1 385 . 1 1 44 44 PRO HD2 H 1 3.793 0.052 . 2 . . . . 44 PRO HD2 . 7125 1 386 . 1 1 44 44 PRO CA C 13 65.444 0.036 . 1 . . . . 44 PRO CA . 7125 1 387 . 1 1 44 44 PRO CG C 13 27.490 0.000 . 1 . . . . 44 PRO CG . 7125 1 388 . 1 1 44 44 PRO CD C 13 50.697 0.016 . 1 . . . . 44 PRO CD . 7125 1 389 . 1 1 45 45 HIS H H 1 9.554 0.012 . 1 . . . . 45 HIS HN . 7125 1 390 . 1 1 45 45 HIS HA H 1 4.830 0.014 . 1 . . . . 45 HIS HA . 7125 1 391 . 1 1 45 45 HIS HB2 H 1 3.275 0.026 . 2 . . . . 45 HIS HB2 . 7125 1 392 . 1 1 45 45 HIS HB3 H 1 3.184 0.000 . 2 . . . . 45 HIS HB3 . 7125 1 393 . 1 1 45 45 HIS HE1 H 1 7.902 0.007 . 1 . . . . 45 HIS HE1 . 7125 1 394 . 1 1 45 45 HIS CA C 13 55.482 0.104 . 1 . . . . 45 HIS CA . 7125 1 395 . 1 1 45 45 HIS CB C 13 30.010 0.030 . 1 . . . . 45 HIS CB . 7125 1 396 . 1 1 45 45 HIS CE1 C 13 138.606 0.029 . 1 . . . . 45 HIS CE1 . 7125 1 397 . 1 1 45 45 HIS N N 15 116.698 0.080 . 1 . . . . 45 HIS N . 7125 1 398 . 1 1 46 46 PHE H H 1 7.501 0.004 . 1 . . . . 46 PHE HN . 7125 1 399 . 1 1 46 46 PHE HA H 1 4.614 0.028 . 1 . . . . 46 PHE HA . 7125 1 400 . 1 1 46 46 PHE HB2 H 1 2.263 0.000 . 2 . . . . 46 PHE HB2 . 7125 1 401 . 1 1 46 46 PHE HB3 H 1 3.086 0.000 . 2 . . . . 46 PHE HB3 . 7125 1 402 . 1 1 46 46 PHE HD1 H 1 6.439 0.018 . 3 . . . . 46 PHE HD1 . 7125 1 403 . 1 1 46 46 PHE HE1 H 1 6.769 0.010 . 3 . . . . 46 PHE HE1 . 7125 1 404 . 1 1 46 46 PHE CA C 13 55.952 0.079 . 1 . . . . 46 PHE CA . 7125 1 405 . 1 1 46 46 PHE CB C 13 40.294 0.005 . 1 . . . . 46 PHE CB . 7125 1 406 . 1 1 46 46 PHE CD1 C 13 129.576 0.139 . 3 . . . . 46 PHE CD1 . 7125 1 407 . 1 1 46 46 PHE CE1 C 13 131.690 0.076 . 3 . . . . 46 PHE CE1 . 7125 1 408 . 1 1 46 46 PHE N N 15 122.647 0.077 . 1 . . . . 46 PHE N . 7125 1 409 . 1 1 47 47 ASP H H 1 7.930 0.005 . 1 . . . . 47 ASP HN . 7125 1 410 . 1 1 47 47 ASP HA H 1 4.555 0.015 . 1 . . . . 47 ASP HA . 7125 1 411 . 1 1 47 47 ASP HB2 H 1 2.748 0.036 . 2 . . . . 47 ASP HB2 . 7125 1 412 . 1 1 47 47 ASP HB3 H 1 2.770 0.000 . 2 . . . . 47 ASP HB3 . 7125 1 413 . 1 1 47 47 ASP CA C 13 53.658 0.059 . 1 . . . . 47 ASP CA . 7125 1 414 . 1 1 47 47 ASP CB C 13 40.234 0.158 . 1 . . . . 47 ASP CB . 7125 1 415 . 1 1 47 47 ASP N N 15 119.257 0.063 . 1 . . . . 47 ASP N . 7125 1 416 . 1 1 48 48 LEU H H 1 8.528 0.008 . 1 . . . . 48 LEU HN . 7125 1 417 . 1 1 48 48 LEU HA H 1 4.361 0.081 . 1 . . . . 48 LEU HA . 7125 1 418 . 1 1 48 48 LEU HB2 H 1 1.312 0.033 . 2 . . . . 48 LEU HB2 . 7125 1 419 . 1 1 48 48 LEU HG H 1 1.282 0.008 . 1 . . . . 48 LEU HG . 7125 1 420 . 1 1 48 48 LEU HD11 H 1 -0.113 0.011 . 2 . . . . 48 LEU HD1 . 7125 1 421 . 1 1 48 48 LEU HD12 H 1 -0.113 0.011 . 2 . . . . 48 LEU HD1 . 7125 1 422 . 1 1 48 48 LEU HD13 H 1 -0.113 0.011 . 2 . . . . 48 LEU HD1 . 7125 1 423 . 1 1 48 48 LEU HD21 H 1 0.258 0.009 . 2 . . . . 48 LEU HD2 . 7125 1 424 . 1 1 48 48 LEU HD22 H 1 0.258 0.009 . 2 . . . . 48 LEU HD2 . 7125 1 425 . 1 1 48 48 LEU HD23 H 1 0.258 0.009 . 2 . . . . 48 LEU HD2 . 7125 1 426 . 1 1 48 48 LEU CA C 13 53.589 0.049 . 1 . . . . 48 LEU CA . 7125 1 427 . 1 1 48 48 LEU CB C 13 40.677 0.122 . 1 . . . . 48 LEU CB . 7125 1 428 . 1 1 48 48 LEU CG C 13 25.700 0.050 . 1 . . . . 48 LEU CG . 7125 1 429 . 1 1 48 48 LEU CD1 C 13 23.987 0.117 . 2 . . . . 48 LEU CD1 . 7125 1 430 . 1 1 48 48 LEU CD2 C 13 25.796 0.087 . 2 . . . . 48 LEU CD2 . 7125 1 431 . 1 1 48 48 LEU N N 15 128.099 0.038 . 1 . . . . 48 LEU N . 7125 1 432 . 1 1 49 49 SER H H 1 8.194 0.007 . 1 . . . . 49 SER HN . 7125 1 433 . 1 1 49 49 SER HA H 1 4.085 0.009 . 1 . . . . 49 SER HA . 7125 1 434 . 1 1 49 49 SER HB2 H 1 3.888 0.023 . 2 . . . . 49 SER HB2 . 7125 1 435 . 1 1 49 49 SER HB3 H 1 3.807 0.000 . 2 . . . . 49 SER HB3 . 7125 1 436 . 1 1 49 49 SER CA C 13 59.294 0.042 . 1 . . . . 49 SER CA . 7125 1 437 . 1 1 49 49 SER CB C 13 64.211 0.038 . 1 . . . . 49 SER CB . 7125 1 438 . 1 1 49 49 SER N N 15 117.233 0.060 . 1 . . . . 49 SER N . 7125 1 439 . 1 1 50 50 HIS HA H 1 4.306 0.009 . 1 . . . . 50 HIS HA . 7125 1 440 . 1 1 50 50 HIS HB2 H 1 3.129 0.006 . 2 . . . . 50 HIS HB2 . 7125 1 441 . 1 1 50 50 HIS HB3 H 1 2.983 0.009 . 2 . . . . 50 HIS HB3 . 7125 1 442 . 1 1 50 50 HIS HD2 H 1 7.003 0.001 . 1 . . . . 50 HIS HD2 . 7125 1 443 . 1 1 50 50 HIS HE1 H 1 8.025 0.000 . 1 . . . . 50 HIS HE1 . 7125 1 444 . 1 1 50 50 HIS CA C 13 58.051 0.040 . 1 . . . . 50 HIS CA . 7125 1 445 . 1 1 50 50 HIS CB C 13 28.953 0.038 . 1 . . . . 50 HIS CB . 7125 1 446 . 1 1 50 50 HIS CD2 C 13 121.651 0.037 . 1 . . . . 50 HIS CD2 . 7125 1 447 . 1 1 50 50 HIS CE1 C 13 138.349 0.000 . 1 . . . . 50 HIS CE1 . 7125 1 448 . 1 1 51 51 GLY H H 1 9.002 0.008 . 1 . . . . 51 GLY HN . 7125 1 449 . 1 1 51 51 GLY HA2 H 1 3.771 0.010 . 2 . . . . 51 GLY HA2 . 7125 1 450 . 1 1 51 51 GLY HA3 H 1 3.350 0.022 . 2 . . . . 51 GLY HA3 . 7125 1 451 . 1 1 51 51 GLY CA C 13 45.301 0.078 . 1 . . . . 51 GLY CA . 7125 1 452 . 1 1 51 51 GLY N N 15 116.049 0.042 . 1 . . . . 51 GLY N . 7125 1 453 . 1 1 52 52 SER H H 1 7.433 0.006 . 1 . . . . 52 SER HN . 7125 1 454 . 1 1 52 52 SER HA H 1 4.046 0.013 . 1 . . . . 52 SER HA . 7125 1 455 . 1 1 52 52 SER HB2 H 1 4.071 0.020 . 2 . . . . 52 SER HB2 . 7125 1 456 . 1 1 52 52 SER HB3 H 1 3.631 0.005 . 2 . . . . 52 SER HB3 . 7125 1 457 . 1 1 52 52 SER CA C 13 57.185 0.061 . 1 . . . . 52 SER CA . 7125 1 458 . 1 1 52 52 SER CB C 13 64.964 0.123 . 1 . . . . 52 SER CB . 7125 1 459 . 1 1 52 52 SER N N 15 114.415 0.026 . 1 . . . . 52 SER N . 7125 1 460 . 1 1 53 53 ALA H H 1 9.088 0.013 . 1 . . . . 53 ALA HN . 7125 1 461 . 1 1 53 53 ALA HA H 1 4.006 0.026 . 1 . . . . 53 ALA HA . 7125 1 462 . 1 1 53 53 ALA HB1 H 1 1.415 0.015 . 1 . . . . 53 ALA HB# . 7125 1 463 . 1 1 53 53 ALA HB2 H 1 1.415 0.015 . 1 . . . . 53 ALA HB# . 7125 1 464 . 1 1 53 53 ALA HB3 H 1 1.415 0.015 . 1 . . . . 53 ALA HB# . 7125 1 465 . 1 1 53 53 ALA CA C 13 54.943 0.099 . 1 . . . . 53 ALA CA . 7125 1 466 . 1 1 53 53 ALA CB C 13 18.293 0.084 . 1 . . . . 53 ALA CB . 7125 1 467 . 1 1 53 53 ALA N N 15 131.667 0.068 . 1 . . . . 53 ALA N . 7125 1 468 . 1 1 54 54 GLN H H 1 8.298 0.008 . 1 . . . . 54 GLN HN . 7125 1 469 . 1 1 54 54 GLN HA H 1 3.885 0.013 . 1 . . . . 54 GLN HA . 7125 1 470 . 1 1 54 54 GLN HB2 H 1 1.721 0.031 . 2 . . . . 54 GLN HB2 . 7125 1 471 . 1 1 54 54 GLN HB3 H 1 1.252 0.015 . 2 . . . . 54 GLN HB3 . 7125 1 472 . 1 1 54 54 GLN HG2 H 1 2.108 0.017 . 2 . . . . 54 GLN HG2 . 7125 1 473 . 1 1 54 54 GLN HG3 H 1 1.685 0.011 . 2 . . . . 54 GLN HG3 . 7125 1 474 . 1 1 54 54 GLN HE21 H 1 6.645 0.000 . 2 . . . . 54 GLN HE21 . 7125 1 475 . 1 1 54 54 GLN HE22 H 1 7.270 0.018 . 2 . . . . 54 GLN HE22 . 7125 1 476 . 1 1 54 54 GLN CA C 13 59.033 0.067 . 1 . . . . 54 GLN CA . 7125 1 477 . 1 1 54 54 GLN CB C 13 28.800 0.106 . 1 . . . . 54 GLN CB . 7125 1 478 . 1 1 54 54 GLN CG C 13 34.239 0.071 . 1 . . . . 54 GLN CG . 7125 1 479 . 1 1 54 54 GLN N N 15 120.096 0.080 . 1 . . . . 54 GLN N . 7125 1 480 . 1 1 54 54 GLN NE2 N 15 113.068 0.112 . 1 . . . . 54 GLN NE2 . 7125 1 481 . 1 1 55 55 VAL H H 1 7.540 0.007 . 1 . . . . 55 VAL HN . 7125 1 482 . 1 1 55 55 VAL HA H 1 3.212 0.012 . 1 . . . . 55 VAL HA . 7125 1 483 . 1 1 55 55 VAL HB H 1 1.964 0.017 . 1 . . . . 55 VAL HB . 7125 1 484 . 1 1 55 55 VAL HG11 H 1 0.764 0.006 . 2 . . . . 55 VAL HG1# . 7125 1 485 . 1 1 55 55 VAL HG12 H 1 0.764 0.006 . 2 . . . . 55 VAL HG1# . 7125 1 486 . 1 1 55 55 VAL HG13 H 1 0.764 0.006 . 2 . . . . 55 VAL HG1# . 7125 1 487 . 1 1 55 55 VAL HG21 H 1 0.961 0.006 . 2 . . . . 55 VAL HG2# . 7125 1 488 . 1 1 55 55 VAL HG22 H 1 0.961 0.006 . 2 . . . . 55 VAL HG2# . 7125 1 489 . 1 1 55 55 VAL HG23 H 1 0.961 0.006 . 2 . . . . 55 VAL HG2# . 7125 1 490 . 1 1 55 55 VAL CA C 13 67.423 0.116 . 1 . . . . 55 VAL CA . 7125 1 491 . 1 1 55 55 VAL CB C 13 31.825 0.119 . 1 . . . . 55 VAL CB . 7125 1 492 . 1 1 55 55 VAL CG1 C 13 22.032 0.110 . 2 . . . . 55 VAL CG1 . 7125 1 493 . 1 1 55 55 VAL CG2 C 13 24.524 0.105 . 2 . . . . 55 VAL CG2 . 7125 1 494 . 1 1 55 55 VAL N N 15 121.775 0.062 . 1 . . . . 55 VAL N . 7125 1 495 . 1 1 56 56 LYS H H 1 7.735 0.009 . 1 . . . . 56 LYS HN . 7125 1 496 . 1 1 56 56 LYS HA H 1 3.770 0.023 . 1 . . . . 56 LYS HA . 7125 1 497 . 1 1 56 56 LYS HB2 H 1 1.728 0.018 . 2 . . . . 56 LYS HB2 . 7125 1 498 . 1 1 56 56 LYS HB3 H 1 1.683 0.008 . 2 . . . . 56 LYS HB3 . 7125 1 499 . 1 1 56 56 LYS HG2 H 1 1.337 0.019 . 2 . . . . 56 LYS HG2 . 7125 1 500 . 1 1 56 56 LYS HG3 H 1 1.176 0.006 . 2 . . . . 56 LYS HG3 . 7125 1 501 . 1 1 56 56 LYS HD2 H 1 1.475 0.016 . 2 . . . . 56 LYS HD2 . 7125 1 502 . 1 1 56 56 LYS HE2 H 1 2.784 0.020 . 2 . . . . 56 LYS HE2 . 7125 1 503 . 1 1 56 56 LYS CA C 13 60.067 0.070 . 1 . . . . 56 LYS CA . 7125 1 504 . 1 1 56 56 LYS CB C 13 32.208 0.071 . 1 . . . . 56 LYS CB . 7125 1 505 . 1 1 56 56 LYS CG C 13 25.460 0.082 . 1 . . . . 56 LYS CG . 7125 1 506 . 1 1 56 56 LYS CD C 13 29.348 0.080 . 1 . . . . 56 LYS CD . 7125 1 507 . 1 1 56 56 LYS CE C 13 41.978 0.030 . 1 . . . . 56 LYS CE . 7125 1 508 . 1 1 56 56 LYS N N 15 120.062 0.092 . 1 . . . . 56 LYS N . 7125 1 509 . 1 1 57 57 GLY H H 1 8.256 0.003 . 1 . . . . 57 GLY HN . 7125 1 510 . 1 1 57 57 GLY HA2 H 1 3.857 0.018 . 2 . . . . 57 GLY HA2 . 7125 1 511 . 1 1 57 57 GLY HA3 H 1 3.985 0.000 . 2 . . . . 57 GLY HA3 . 7125 1 512 . 1 1 57 57 GLY CA C 13 46.985 0.064 . 1 . . . . 57 GLY CA . 7125 1 513 . 1 1 57 57 GLY N N 15 106.072 0.055 . 1 . . . . 57 GLY N . 7125 1 514 . 1 1 58 58 HIS H H 1 8.185 0.008 . 1 . . . . 58 HIS HN . 7125 1 515 . 1 1 58 58 HIS HA H 1 3.902 0.031 . 1 . . . . 58 HIS HA . 7125 1 516 . 1 1 58 58 HIS HB2 H 1 2.952 0.016 . 2 . . . . 58 HIS HB2 . 7125 1 517 . 1 1 58 58 HIS HB3 H 1 2.251 0.010 . 2 . . . . 58 HIS HB3 . 7125 1 518 . 1 1 58 58 HIS HD2 H 1 4.500 0.005 . 1 . . . . 58 HIS HD2 . 7125 1 519 . 1 1 58 58 HIS HE1 H 1 8.269 0.004 . 1 . . . . 58 HIS HE1 . 7125 1 520 . 1 1 58 58 HIS CA C 13 60.148 0.114 . 1 . . . . 58 HIS CA . 7125 1 521 . 1 1 58 58 HIS CB C 13 31.116 0.125 . 1 . . . . 58 HIS CB . 7125 1 522 . 1 1 58 58 HIS CD2 C 13 114.291 0.000 . 1 . . . . 58 HIS CD2 . 7125 1 523 . 1 1 58 58 HIS CE1 C 13 139.059 0.040 . 1 . . . . 58 HIS CE1 . 7125 1 524 . 1 1 58 58 HIS N N 15 124.485 0.067 . 1 . . . . 58 HIS N . 7125 1 525 . 1 1 59 59 GLY H H 1 8.556 0.008 . 1 . . . . 59 GLY HN . 7125 1 526 . 1 1 59 59 GLY HA2 H 1 3.164 0.037 . 2 . . . . 59 GLY HA2 . 7125 1 527 . 1 1 59 59 GLY HA3 H 1 2.741 0.002 . 2 . . . . 59 GLY HA3 . 7125 1 528 . 1 1 59 59 GLY CA C 13 46.493 0.146 . 1 . . . . 59 GLY CA . 7125 1 529 . 1 1 59 59 GLY N N 15 105.531 0.129 . 1 . . . . 59 GLY N . 7125 1 530 . 1 1 60 60 LYS H H 1 7.072 0.010 . 1 . . . . 60 LYS HN . 7125 1 531 . 1 1 60 60 LYS HA H 1 3.944 0.012 . 1 . . . . 60 LYS HA . 7125 1 532 . 1 1 60 60 LYS HB2 H 1 1.994 0.005 . 2 . . . . 60 LYS HB2 . 7125 1 533 . 1 1 60 60 LYS HB3 H 1 1.817 0.000 . 2 . . . . 60 LYS HB3 . 7125 1 534 . 1 1 60 60 LYS HG2 H 1 1.421 0.004 . 2 . . . . 60 LYS HG2 . 7125 1 535 . 1 1 60 60 LYS HD2 H 1 1.757 0.000 . 2 . . . . 60 LYS HD2 . 7125 1 536 . 1 1 60 60 LYS HD3 H 1 1.567 0.000 . 2 . . . . 60 LYS HD3 . 7125 1 537 . 1 1 60 60 LYS HE2 H 1 3.032 0.000 . 2 . . . . 60 LYS HE2 . 7125 1 538 . 1 1 60 60 LYS CA C 13 59.699 0.156 . 1 . . . . 60 LYS CA . 7125 1 539 . 1 1 60 60 LYS CB C 13 32.224 0.091 . 1 . . . . 60 LYS CB . 7125 1 540 . 1 1 60 60 LYS CG C 13 25.270 0.093 . 1 . . . . 60 LYS CG . 7125 1 541 . 1 1 60 60 LYS CD C 13 29.046 0.034 . 1 . . . . 60 LYS CD . 7125 1 542 . 1 1 60 60 LYS CE C 13 42.315 0.000 . 1 . . . . 60 LYS CE . 7125 1 543 . 1 1 60 60 LYS N N 15 120.115 0.026 . 1 . . . . 60 LYS N . 7125 1 544 . 1 1 61 61 LYS H H 1 6.982 0.008 . 1 . . . . 61 LYS HN . 7125 1 545 . 1 1 61 61 LYS HA H 1 4.297 0.011 . 1 . . . . 61 LYS HA . 7125 1 546 . 1 1 61 61 LYS HB2 H 1 1.967 0.000 . 2 . . . . 61 LYS HB2 . 7125 1 547 . 1 1 61 61 LYS HB3 H 1 1.558 0.000 . 2 . . . . 61 LYS HB3 . 7125 1 548 . 1 1 61 61 LYS HG2 H 1 1.644 0.000 . 2 . . . . 61 LYS HG2 . 7125 1 549 . 1 1 61 61 LYS HE2 H 1 3.096 0.000 . 2 . . . . 61 LYS HE1 . 7125 1 550 . 1 1 61 61 LYS CA C 13 60.359 0.040 . 1 . . . . 61 LYS CA . 7125 1 551 . 1 1 61 61 LYS CB C 13 32.181 0.078 . 1 . . . . 61 LYS CB . 7125 1 552 . 1 1 61 61 LYS CG C 13 26.141 0.000 . 1 . . . . 61 LYS CG . 7125 1 553 . 1 1 61 61 LYS CE C 13 42.556 0.000 . 1 . . . . 61 LYS CE . 7125 1 554 . 1 1 61 61 LYS N N 15 118.339 0.048 . 1 . . . . 61 LYS N . 7125 1 555 . 1 1 62 62 VAL H H 1 7.751 0.006 . 1 . . . . 62 VAL HN . 7125 1 556 . 1 1 62 62 VAL HA H 1 3.637 0.020 . 1 . . . . 62 VAL HA . 7125 1 557 . 1 1 62 62 VAL HB H 1 1.222 0.012 . 1 . . . . 62 VAL HB . 7125 1 558 . 1 1 62 62 VAL HG11 H 1 -1.763 0.011 . 2 . . . . 62 VAL HG1# . 7125 1 559 . 1 1 62 62 VAL HG12 H 1 -1.763 0.011 . 2 . . . . 62 VAL HG1# . 7125 1 560 . 1 1 62 62 VAL HG13 H 1 -1.763 0.011 . 2 . . . . 62 VAL HG1# . 7125 1 561 . 1 1 62 62 VAL HG21 H 1 0.100 0.006 . 2 . . . . 62 VAL HG2# . 7125 1 562 . 1 1 62 62 VAL HG22 H 1 0.100 0.006 . 2 . . . . 62 VAL HG2# . 7125 1 563 . 1 1 62 62 VAL HG23 H 1 0.100 0.006 . 2 . . . . 62 VAL HG2# . 7125 1 564 . 1 1 62 62 VAL CA C 13 67.140 0.057 . 1 . . . . 62 VAL CA . 7125 1 565 . 1 1 62 62 VAL CB C 13 31.590 0.105 . 1 . . . . 62 VAL CB . 7125 1 566 . 1 1 62 62 VAL CG1 C 13 21.526 0.122 . 2 . . . . 62 VAL CG1 . 7125 1 567 . 1 1 62 62 VAL CG2 C 13 19.117 0.114 . 2 . . . . 62 VAL CG2 . 7125 1 568 . 1 1 62 62 VAL N N 15 120.323 0.072 . 1 . . . . 62 VAL N . 7125 1 569 . 1 1 63 63 ALA H H 1 8.145 0.012 . 1 . . . . 63 ALA HN . 7125 1 570 . 1 1 63 63 ALA HA H 1 4.174 0.014 . 1 . . . . 63 ALA HA . 7125 1 571 . 1 1 63 63 ALA HB1 H 1 1.516 0.018 . 1 . . . . 63 ALA HB# . 7125 1 572 . 1 1 63 63 ALA HB2 H 1 1.516 0.018 . 1 . . . . 63 ALA HB# . 7125 1 573 . 1 1 63 63 ALA HB3 H 1 1.516 0.018 . 1 . . . . 63 ALA HB# . 7125 1 574 . 1 1 63 63 ALA CA C 13 56.071 0.100 . 1 . . . . 63 ALA CA . 7125 1 575 . 1 1 63 63 ALA CB C 13 19.501 0.128 . 1 . . . . 63 ALA CB . 7125 1 576 . 1 1 63 63 ALA N N 15 120.978 0.028 . 1 . . . . 63 ALA N . 7125 1 577 . 1 1 64 64 ASP H H 1 8.913 0.007 . 1 . . . . 64 ASP HN . 7125 1 578 . 1 1 64 64 ASP HA H 1 4.592 0.012 . 1 . . . . 64 ASP HA . 7125 1 579 . 1 1 64 64 ASP HB2 H 1 3.023 0.007 . 2 . . . . 64 ASP HB2 . 7125 1 580 . 1 1 64 64 ASP HB3 H 1 2.827 0.022 . 2 . . . . 64 ASP HB3 . 7125 1 581 . 1 1 64 64 ASP CA C 13 57.765 0.093 . 1 . . . . 64 ASP CA . 7125 1 582 . 1 1 64 64 ASP CB C 13 40.032 0.140 . 1 . . . . 64 ASP CB . 7125 1 583 . 1 1 64 64 ASP N N 15 119.821 0.033 . 1 . . . . 64 ASP N . 7125 1 584 . 1 1 65 65 ALA H H 1 8.331 0.007 . 1 . . . . 65 ALA HN . 7125 1 585 . 1 1 65 65 ALA HA H 1 4.682 0.021 . 1 . . . . 65 ALA HA . 7125 1 586 . 1 1 65 65 ALA HB1 H 1 2.431 0.007 . 1 . . . . 65 ALA HB# . 7125 1 587 . 1 1 65 65 ALA HB2 H 1 2.431 0.007 . 1 . . . . 65 ALA HB# . 7125 1 588 . 1 1 65 65 ALA HB3 H 1 2.431 0.007 . 1 . . . . 65 ALA HB# . 7125 1 589 . 1 1 65 65 ALA CA C 13 55.588 0.099 . 1 . . . . 65 ALA CA . 7125 1 590 . 1 1 65 65 ALA CB C 13 20.331 0.090 . 1 . . . . 65 ALA CB . 7125 1 591 . 1 1 65 65 ALA N N 15 124.579 0.036 . 1 . . . . 65 ALA N . 7125 1 592 . 1 1 66 66 LEU H H 1 8.482 0.007 . 1 . . . . 66 LEU HN . 7125 1 593 . 1 1 66 66 LEU HA H 1 4.186 0.012 . 1 . . . . 66 LEU HA . 7125 1 594 . 1 1 66 66 LEU HB2 H 1 0.775 0.000 . 2 . . . . 66 LEU HB2 . 7125 1 595 . 1 1 66 66 LEU HB3 H 1 2.263 0.003 . 2 . . . . 66 LEU HB3 . 7125 1 596 . 1 1 66 66 LEU HG H 1 2.231 0.000 . 1 . . . . 66 LEU HG . 7125 1 597 . 1 1 66 66 LEU HD11 H 1 0.943 0.017 . 2 . . . . 66 LEU HD1 . 7125 1 598 . 1 1 66 66 LEU HD12 H 1 0.943 0.017 . 2 . . . . 66 LEU HD1 . 7125 1 599 . 1 1 66 66 LEU HD13 H 1 0.943 0.017 . 2 . . . . 66 LEU HD1 . 7125 1 600 . 1 1 66 66 LEU HD21 H 1 0.873 0.023 . 2 . . . . 66 LEU HD2 . 7125 1 601 . 1 1 66 66 LEU HD22 H 1 0.873 0.023 . 2 . . . . 66 LEU HD2 . 7125 1 602 . 1 1 66 66 LEU HD23 H 1 0.873 0.023 . 2 . . . . 66 LEU HD2 . 7125 1 603 . 1 1 66 66 LEU CA C 13 58.446 0.092 . 1 . . . . 66 LEU CA . 7125 1 604 . 1 1 66 66 LEU CB C 13 41.561 0.081 . 1 . . . . 66 LEU CB . 7125 1 605 . 1 1 66 66 LEU CG C 13 27.200 0.000 . 1 . . . . 66 LEU CG . 7125 1 606 . 1 1 66 66 LEU CD1 C 13 23.285 0.160 . 2 . . . . 66 LEU CD1 . 7125 1 607 . 1 1 66 66 LEU CD2 C 13 26.841 0.180 . 2 . . . . 66 LEU CD2 . 7125 1 608 . 1 1 66 66 LEU N N 15 119.336 0.075 . 1 . . . . 66 LEU N . 7125 1 609 . 1 1 67 67 THR H H 1 9.123 0.010 . 1 . . . . 67 THR HN . 7125 1 610 . 1 1 67 67 THR HA H 1 3.839 0.011 . 1 . . . . 67 THR HA . 7125 1 611 . 1 1 67 67 THR HB H 1 4.684 0.025 . 1 . . . . 67 THR HB . 7125 1 612 . 1 1 67 67 THR HG21 H 1 1.441 0.012 . 1 . . . . 67 THR HG2# . 7125 1 613 . 1 1 67 67 THR HG22 H 1 1.441 0.012 . 1 . . . . 67 THR HG2# . 7125 1 614 . 1 1 67 67 THR HG23 H 1 1.441 0.012 . 1 . . . . 67 THR HG2# . 7125 1 615 . 1 1 67 67 THR CA C 13 67.329 0.075 . 1 . . . . 67 THR CA . 7125 1 616 . 1 1 67 67 THR CB C 13 68.787 0.027 . 1 . . . . 67 THR CB . 7125 1 617 . 1 1 67 67 THR CG2 C 13 22.819 0.045 . 1 . . . . 67 THR CG2 . 7125 1 618 . 1 1 67 67 THR N N 15 118.175 0.081 . 1 . . . . 67 THR N . 7125 1 619 . 1 1 68 68 ASN H H 1 8.118 0.009 . 1 . . . . 68 ASN HN . 7125 1 620 . 1 1 68 68 ASN HA H 1 4.719 0.010 . 1 . . . . 68 ASN HA . 7125 1 621 . 1 1 68 68 ASN HB2 H 1 3.163 0.023 . 2 . . . . 68 ASN HB2 . 7125 1 622 . 1 1 68 68 ASN HB3 H 1 3.079 0.020 . 2 . . . . 68 ASN HB3 . 7125 1 623 . 1 1 68 68 ASN HD21 H 1 6.917 0.008 . 1 . . . . 68 ASN HD21 . 7125 1 624 . 1 1 68 68 ASN HD22 H 1 7.782 0.007 . 1 . . . . 68 ASN HD22 . 7125 1 625 . 1 1 68 68 ASN CA C 13 56.645 0.075 . 1 . . . . 68 ASN CA . 7125 1 626 . 1 1 68 68 ASN CB C 13 38.918 0.054 . 1 . . . . 68 ASN CB . 7125 1 627 . 1 1 68 68 ASN N N 15 121.266 0.030 . 1 . . . . 68 ASN N . 7125 1 628 . 1 1 68 68 ASN ND2 N 15 112.723 0.053 . 1 . . . . 68 ASN ND2 . 7125 1 629 . 1 1 69 69 ALA H H 1 8.562 0.008 . 1 . . . . 69 ALA HN . 7125 1 630 . 1 1 69 69 ALA HA H 1 3.873 0.010 . 1 . . . . 69 ALA HA . 7125 1 631 . 1 1 69 69 ALA HB1 H 1 1.730 0.008 . 1 . . . . 69 ALA HB# . 7125 1 632 . 1 1 69 69 ALA HB2 H 1 1.730 0.008 . 1 . . . . 69 ALA HB# . 7125 1 633 . 1 1 69 69 ALA HB3 H 1 1.730 0.008 . 1 . . . . 69 ALA HB# . 7125 1 634 . 1 1 69 69 ALA CA C 13 56.170 0.090 . 1 . . . . 69 ALA CA . 7125 1 635 . 1 1 69 69 ALA CB C 13 18.505 0.052 . 1 . . . . 69 ALA CB . 7125 1 636 . 1 1 69 69 ALA N N 15 123.259 0.050 . 1 . . . . 69 ALA N . 7125 1 637 . 1 1 70 70 VAL H H 1 8.257 0.013 . 1 . . . . 70 VAL HN . 7125 1 638 . 1 1 70 70 VAL HA H 1 3.190 0.021 . 1 . . . . 70 VAL HA . 7125 1 639 . 1 1 70 70 VAL HB H 1 1.939 0.009 . 1 . . . . 70 VAL HB . 7125 1 640 . 1 1 70 70 VAL HG11 H 1 0.151 0.011 . 2 . . . . 70 VAL HG1# . 7125 1 641 . 1 1 70 70 VAL HG12 H 1 0.151 0.011 . 2 . . . . 70 VAL HG1# . 7125 1 642 . 1 1 70 70 VAL HG13 H 1 0.151 0.011 . 2 . . . . 70 VAL HG1# . 7125 1 643 . 1 1 70 70 VAL HG21 H 1 0.733 0.014 . 2 . . . . 70 VAL HG2# . 7125 1 644 . 1 1 70 70 VAL HG22 H 1 0.733 0.014 . 2 . . . . 70 VAL HG2# . 7125 1 645 . 1 1 70 70 VAL HG23 H 1 0.733 0.014 . 2 . . . . 70 VAL HG2# . 7125 1 646 . 1 1 70 70 VAL CA C 13 67.172 0.062 . 1 . . . . 70 VAL CA . 7125 1 647 . 1 1 70 70 VAL CB C 13 32.084 0.072 . 1 . . . . 70 VAL CB . 7125 1 648 . 1 1 70 70 VAL CG1 C 13 23.115 0.133 . 2 . . . . 70 VAL CG1 . 7125 1 649 . 1 1 70 70 VAL CG2 C 13 22.588 0.131 . 2 . . . . 70 VAL CG2 . 7125 1 650 . 1 1 70 70 VAL N N 15 116.721 0.056 . 1 . . . . 70 VAL N . 7125 1 651 . 1 1 71 71 ALA H H 1 7.721 0.014 . 1 . . . . 71 ALA HN . 7125 1 652 . 1 1 71 71 ALA HA H 1 4.021 0.009 . 1 . . . . 71 ALA HA . 7125 1 653 . 1 1 71 71 ALA HB1 H 1 1.371 0.005 . 1 . . . . 71 ALA HB# . 7125 1 654 . 1 1 71 71 ALA HB2 H 1 1.371 0.005 . 1 . . . . 71 ALA HB# . 7125 1 655 . 1 1 71 71 ALA HB3 H 1 1.371 0.005 . 1 . . . . 71 ALA HB# . 7125 1 656 . 1 1 71 71 ALA CA C 13 54.395 0.074 . 1 . . . . 71 ALA CA . 7125 1 657 . 1 1 71 71 ALA CB C 13 18.258 0.105 . 1 . . . . 71 ALA CB . 7125 1 658 . 1 1 71 71 ALA N N 15 120.193 0.063 . 1 . . . . 71 ALA N . 7125 1 659 . 1 1 72 72 HIS H H 1 7.699 0.006 . 1 . . . . 72 HIS HN . 7125 1 660 . 1 1 72 72 HIS HA H 1 4.883 0.009 . 1 . . . . 72 HIS HA . 7125 1 661 . 1 1 72 72 HIS HB2 H 1 2.561 0.000 . 2 . . . . 72 HIS HB2 . 7125 1 662 . 1 1 72 72 HIS HB3 H 1 3.434 0.000 . 2 . . . . 72 HIS HB3 . 7125 1 663 . 1 1 72 72 HIS HD2 H 1 7.403 0.024 . 1 . . . . 72 HIS HD2 . 7125 1 664 . 1 1 72 72 HIS HE1 H 1 8.277 0.004 . 1 . . . . 72 HIS HE1 . 7125 1 665 . 1 1 72 72 HIS CA C 13 55.111 0.061 . 1 . . . . 72 HIS CA . 7125 1 666 . 1 1 72 72 HIS CB C 13 28.473 0.096 . 1 . . . . 72 HIS CB . 7125 1 667 . 1 1 72 72 HIS CD2 C 13 122.232 0.096 . 1 . . . . 72 HIS CD2 . 7125 1 668 . 1 1 72 72 HIS CE1 C 13 137.512 0.032 . 1 . . . . 72 HIS CE1 . 7125 1 669 . 1 1 72 72 HIS N N 15 116.005 0.070 . 1 . . . . 72 HIS N . 7125 1 670 . 1 1 73 73 VAL H H 1 6.665 0.010 . 1 . . . . 73 VAL HN . 7125 1 671 . 1 1 73 73 VAL HA H 1 4.123 0.009 . 1 . . . . 73 VAL HA . 7125 1 672 . 1 1 73 73 VAL HB H 1 2.527 0.008 . 1 . . . . 73 VAL HB . 7125 1 673 . 1 1 73 73 VAL HG11 H 1 0.976 0.006 . 2 . . . . 73 VAL HG1# . 7125 1 674 . 1 1 73 73 VAL HG12 H 1 0.976 0.006 . 2 . . . . 73 VAL HG1# . 7125 1 675 . 1 1 73 73 VAL HG13 H 1 0.976 0.006 . 2 . . . . 73 VAL HG1# . 7125 1 676 . 1 1 73 73 VAL HG21 H 1 1.131 0.007 . 2 . . . . 73 VAL HG2# . 7125 1 677 . 1 1 73 73 VAL HG22 H 1 1.131 0.007 . 2 . . . . 73 VAL HG2# . 7125 1 678 . 1 1 73 73 VAL HG23 H 1 1.131 0.007 . 2 . . . . 73 VAL HG2# . 7125 1 679 . 1 1 73 73 VAL CA C 13 65.464 0.107 . 1 . . . . 73 VAL CA . 7125 1 680 . 1 1 73 73 VAL CB C 13 32.218 0.056 . 1 . . . . 73 VAL CB . 7125 1 681 . 1 1 73 73 VAL CG1 C 13 20.481 0.091 . 2 . . . . 73 VAL CG1 . 7125 1 682 . 1 1 73 73 VAL CG2 C 13 22.814 0.079 . 2 . . . . 73 VAL CG2 . 7125 1 683 . 1 1 73 73 VAL N N 15 119.790 0.028 . 1 . . . . 73 VAL N . 7125 1 684 . 1 1 74 74 ASP H H 1 8.242 0.009 . 1 . . . . 74 ASP HN . 7125 1 685 . 1 1 74 74 ASP HA H 1 4.830 0.019 . 1 . . . . 74 ASP HA . 7125 1 686 . 1 1 74 74 ASP HB2 H 1 2.511 0.014 . 2 . . . . 74 ASP HB2 . 7125 1 687 . 1 1 74 74 ASP HB3 H 1 2.916 0.030 . 2 . . . . 74 ASP HB3 . 7125 1 688 . 1 1 74 74 ASP CA C 13 55.383 0.109 . 1 . . . . 74 ASP CA . 7125 1 689 . 1 1 74 74 ASP CB C 13 41.453 0.125 . 1 . . . . 74 ASP CB . 7125 1 690 . 1 1 74 74 ASP N N 15 119.560 0.030 . 1 . . . . 74 ASP N . 7125 1 691 . 1 1 75 75 ASP H H 1 8.351 0.004 . 1 . . . . 75 ASP HN . 7125 1 692 . 1 1 75 75 ASP HA H 1 5.042 0.012 . 1 . . . . 75 ASP HA . 7125 1 693 . 1 1 75 75 ASP HB2 H 1 2.471 0.005 . 2 . . . . 75 ASP HB2 . 7125 1 694 . 1 1 75 75 ASP HB3 H 1 2.688 0.000 . 2 . . . . 75 ASP HB3 . 7125 1 695 . 1 1 75 75 ASP CA C 13 53.184 0.063 . 1 . . . . 75 ASP CA . 7125 1 696 . 1 1 75 75 ASP CB C 13 41.848 0.019 . 1 . . . . 75 ASP CB . 7125 1 697 . 1 1 75 75 ASP N N 15 122.432 0.053 . 1 . . . . 75 ASP N . 7125 1 698 . 1 1 76 76 MET H H 1 8.672 0.009 . 1 . . . . 76 MET HN . 7125 1 699 . 1 1 76 76 MET HA H 1 4.036 0.013 . 1 . . . . 76 MET HA . 7125 1 700 . 1 1 76 76 MET HB2 H 1 2.919 0.008 . 2 . . . . 76 MET HB2 . 7125 1 701 . 1 1 76 76 MET HB3 H 1 2.325 0.011 . 2 . . . . 76 MET HB3 . 7125 1 702 . 1 1 76 76 MET HG2 H 1 1.796 0.010 . 2 . . . . 76 MET HG2 . 7125 1 703 . 1 1 76 76 MET HG3 H 1 2.342 0.011 . 2 . . . . 76 MET HG3 . 7125 1 704 . 1 1 76 76 MET HE1 H 1 2.063 0.009 . 1 . . . . 76 MET HE# . 7125 1 705 . 1 1 76 76 MET HE2 H 1 2.063 0.009 . 1 . . . . 76 MET HE# . 7125 1 706 . 1 1 76 76 MET HE3 H 1 2.063 0.009 . 1 . . . . 76 MET HE# . 7125 1 707 . 1 1 76 76 MET CA C 13 62.211 0.042 . 1 . . . . 76 MET CA . 7125 1 708 . 1 1 76 76 MET CB C 13 33.988 0.087 . 1 . . . . 76 MET CB . 7125 1 709 . 1 1 76 76 MET CG C 13 33.080 0.090 . 1 . . . . 76 MET CG . 7125 1 710 . 1 1 76 76 MET CE C 13 17.261 0.065 . 1 . . . . 76 MET CE . 7125 1 711 . 1 1 76 76 MET N N 15 121.791 0.088 . 1 . . . . 76 MET N . 7125 1 712 . 1 1 77 77 PRO HD2 H 1 3.757 0.000 . 1 . . . . 77 PRO HD2 . 7125 1 713 . 1 1 77 77 PRO CA C 13 66.096 0.000 . 1 . . . . 77 PRO CA . 7125 1 714 . 1 1 77 77 PRO CD C 13 50.274 0.000 . 1 . . . . 77 PRO CD . 7125 1 715 . 1 1 78 78 ASN H H 1 7.461 0.006 . 1 . . . . 78 ASN HN . 7125 1 716 . 1 1 78 78 ASN HA H 1 4.549 0.012 . 1 . . . . 78 ASN HA . 7125 1 717 . 1 1 78 78 ASN HB2 H 1 2.762 0.019 . 2 . . . . 78 ASN HB2 . 7125 1 718 . 1 1 78 78 ASN HB3 H 1 2.692 0.001 . 2 . . . . 78 ASN HB3 . 7125 1 719 . 1 1 78 78 ASN HD21 H 1 6.912 0.000 . 2 . . . . 78 ASN HD21 . 7125 1 720 . 1 1 78 78 ASN HD22 H 1 8.460 0.000 . 2 . . . . 78 ASN HD22 . 7125 1 721 . 1 1 78 78 ASN CA C 13 55.803 0.128 . 1 . . . . 78 ASN CA . 7125 1 722 . 1 1 78 78 ASN CB C 13 38.961 0.051 . 1 . . . . 78 ASN CB . 7125 1 723 . 1 1 78 78 ASN N N 15 113.172 0.083 . 1 . . . . 78 ASN N . 7125 1 724 . 1 1 78 78 ASN ND2 N 15 115.698 0.001 . 1 . . . . 78 ASN ND2 . 7125 1 725 . 1 1 79 79 ALA H H 1 7.904 0.008 . 1 . . . . 79 ALA HN . 7125 1 726 . 1 1 79 79 ALA HA H 1 4.041 0.016 . 1 . . . . 79 ALA HA . 7125 1 727 . 1 1 79 79 ALA HB1 H 1 1.207 0.033 . 1 . . . . 79 ALA HB# . 7125 1 728 . 1 1 79 79 ALA HB2 H 1 1.207 0.033 . 1 . . . . 79 ALA HB# . 7125 1 729 . 1 1 79 79 ALA HB3 H 1 1.207 0.033 . 1 . . . . 79 ALA HB# . 7125 1 730 . 1 1 79 79 ALA CA C 13 54.884 0.090 . 1 . . . . 79 ALA CA . 7125 1 731 . 1 1 79 79 ALA CB C 13 18.767 0.097 . 1 . . . . 79 ALA CB . 7125 1 732 . 1 1 79 79 ALA N N 15 121.971 0.040 . 1 . . . . 79 ALA N . 7125 1 733 . 1 1 80 80 LEU H H 1 8.091 0.012 . 1 . . . . 80 LEU HN . 7125 1 734 . 1 1 80 80 LEU HA H 1 4.629 0.016 . 1 . . . . 80 LEU HA . 7125 1 735 . 1 1 80 80 LEU HB2 H 1 1.608 0.012 . 2 . . . . 80 LEU HB2 . 7125 1 736 . 1 1 80 80 LEU HG H 1 1.693 0.016 . 1 . . . . 80 LEU HG . 7125 1 737 . 1 1 80 80 LEU HD11 H 1 0.888 0.009 . 2 . . . . 80 LEU HD1 . 7125 1 738 . 1 1 80 80 LEU HD12 H 1 0.888 0.009 . 2 . . . . 80 LEU HD1 . 7125 1 739 . 1 1 80 80 LEU HD13 H 1 0.888 0.009 . 2 . . . . 80 LEU HD1 . 7125 1 740 . 1 1 80 80 LEU HD21 H 1 0.808 0.012 . 2 . . . . 80 LEU HD2 . 7125 1 741 . 1 1 80 80 LEU HD22 H 1 0.808 0.012 . 2 . . . . 80 LEU HD2 . 7125 1 742 . 1 1 80 80 LEU HD23 H 1 0.808 0.012 . 2 . . . . 80 LEU HD2 . 7125 1 743 . 1 1 80 80 LEU CA C 13 53.965 0.109 . 1 . . . . 80 LEU CA . 7125 1 744 . 1 1 80 80 LEU CB C 13 41.544 0.000 . 1 . . . . 80 LEU CB . 7125 1 745 . 1 1 80 80 LEU CG C 13 27.811 0.079 . 1 . . . . 80 LEU CG . 7125 1 746 . 1 1 80 80 LEU CD1 C 13 22.948 0.106 . 2 . . . . 80 LEU CD1 . 7125 1 747 . 1 1 80 80 LEU CD2 C 13 26.517 0.092 . 2 . . . . 80 LEU CD2 . 7125 1 748 . 1 1 80 80 LEU N N 15 113.630 0.070 . 1 . . . . 80 LEU N . 7125 1 749 . 1 1 81 81 SER H H 1 7.102 0.009 . 1 . . . . 81 SER HN . 7125 1 750 . 1 1 81 81 SER HA H 1 4.027 0.018 . 1 . . . . 81 SER HA . 7125 1 751 . 1 1 81 81 SER HB2 H 1 3.961 0.000 . 2 . . . . 81 SER HB2 . 7125 1 752 . 1 1 81 81 SER CA C 13 62.705 0.131 . 1 . . . . 81 SER CA . 7125 1 753 . 1 1 81 81 SER CB C 13 62.777 0.000 . 1 . . . . 81 SER CB . 7125 1 754 . 1 1 81 81 SER N N 15 116.611 0.039 . 1 . . . . 81 SER N . 7125 1 755 . 1 1 82 82 ALA HA H 1 4.153 0.011 . 1 . . . . 82 ALA HA . 7125 1 756 . 1 1 82 82 ALA HB1 H 1 1.400 0.014 . 1 . . . . 82 ALA HB# . 7125 1 757 . 1 1 82 82 ALA HB2 H 1 1.400 0.014 . 1 . . . . 82 ALA HB# . 7125 1 758 . 1 1 82 82 ALA HB3 H 1 1.400 0.014 . 1 . . . . 82 ALA HB# . 7125 1 759 . 1 1 82 82 ALA CA C 13 55.212 0.047 . 1 . . . . 82 ALA CA . 7125 1 760 . 1 1 82 82 ALA CB C 13 18.004 0.071 . 1 . . . . 82 ALA CB . 7125 1 761 . 1 1 83 83 LEU H H 1 7.506 0.008 . 1 . . . . 83 LEU HN . 7125 1 762 . 1 1 83 83 LEU HA H 1 3.704 0.018 . 1 . . . . 83 LEU HA . 7125 1 763 . 1 1 83 83 LEU HB2 H 1 1.674 0.027 . 2 . . . . 83 LEU HB2 . 7125 1 764 . 1 1 83 83 LEU HB3 H 1 0.435 0.019 . 2 . . . . 83 LEU HB3 . 7125 1 765 . 1 1 83 83 LEU HG H 1 1.556 0.021 . 1 . . . . 83 LEU HG . 7125 1 766 . 1 1 83 83 LEU HD11 H 1 0.747 0.005 . 2 . . . . 83 LEU HD1 . 7125 1 767 . 1 1 83 83 LEU HD12 H 1 0.747 0.005 . 2 . . . . 83 LEU HD1 . 7125 1 768 . 1 1 83 83 LEU HD13 H 1 0.747 0.005 . 2 . . . . 83 LEU HD1 . 7125 1 769 . 1 1 83 83 LEU HD21 H 1 1.190 0.007 . 2 . . . . 83 LEU HD2 . 7125 1 770 . 1 1 83 83 LEU HD22 H 1 1.190 0.007 . 2 . . . . 83 LEU HD2 . 7125 1 771 . 1 1 83 83 LEU HD23 H 1 1.190 0.007 . 2 . . . . 83 LEU HD2 . 7125 1 772 . 1 1 83 83 LEU CA C 13 56.177 0.088 . 1 . . . . 83 LEU CA . 7125 1 773 . 1 1 83 83 LEU CB C 13 41.913 0.122 . 1 . . . . 83 LEU CB . 7125 1 774 . 1 1 83 83 LEU CG C 13 26.812 0.127 . 1 . . . . 83 LEU CG . 7125 1 775 . 1 1 83 83 LEU CD1 C 13 23.657 0.121 . 2 . . . . 83 LEU CD1 . 7125 1 776 . 1 1 83 83 LEU CD2 C 13 26.838 0.141 . 2 . . . . 83 LEU CD2 . 7125 1 777 . 1 1 83 83 LEU N N 15 117.731 0.043 . 1 . . . . 83 LEU N . 7125 1 778 . 1 1 84 84 SER H H 1 8.238 0.005 . 1 . . . . 84 SER HN . 7125 1 779 . 1 1 84 84 SER HA H 1 4.045 0.006 . 1 . . . . 84 SER HA . 7125 1 780 . 1 1 84 84 SER HB2 H 1 3.833 0.007 . 2 . . . . 84 SER HB2 . 7125 1 781 . 1 1 84 84 SER CA C 13 60.857 0.054 . 1 . . . . 84 SER CA . 7125 1 782 . 1 1 84 84 SER CB C 13 62.207 0.009 . 1 . . . . 84 SER CB . 7125 1 783 . 1 1 84 84 SER N N 15 121.307 0.068 . 1 . . . . 84 SER N . 7125 1 784 . 1 1 85 85 ASP H H 1 7.622 0.008 . 1 . . . . 85 ASP HN . 7125 1 785 . 1 1 85 85 ASP HA H 1 4.067 0.013 . 1 . . . . 85 ASP HA . 7125 1 786 . 1 1 85 85 ASP HB2 H 1 2.543 0.012 . 2 . . . . 85 ASP HB2 . 7125 1 787 . 1 1 85 85 ASP HB3 H 1 2.502 0.000 . 2 . . . . 85 ASP HB3 . 7125 1 788 . 1 1 85 85 ASP CA C 13 57.984 0.089 . 1 . . . . 85 ASP CA . 7125 1 789 . 1 1 85 85 ASP CB C 13 40.898 0.066 . 1 . . . . 85 ASP CB . 7125 1 790 . 1 1 85 85 ASP N N 15 121.403 0.040 . 1 . . . . 85 ASP N . 7125 1 791 . 1 1 86 86 LEU H H 1 7.072 0.006 . 1 . . . . 86 LEU HN . 7125 1 792 . 1 1 86 86 LEU HA H 1 3.721 0.014 . 1 . . . . 86 LEU HA . 7125 1 793 . 1 1 86 86 LEU HB2 H 1 1.282 0.000 . 2 . . . . 86 LEU HB2 . 7125 1 794 . 1 1 86 86 LEU HG H 1 -0.147 0.007 . 1 . . . . 86 LEU HG . 7125 1 795 . 1 1 86 86 LEU HD11 H 1 0.607 0.014 . 2 . . . . 86 LEU HD1 . 7125 1 796 . 1 1 86 86 LEU HD12 H 1 0.607 0.014 . 2 . . . . 86 LEU HD1 . 7125 1 797 . 1 1 86 86 LEU HD13 H 1 0.607 0.014 . 2 . . . . 86 LEU HD1 . 7125 1 798 . 1 1 86 86 LEU HD21 H 1 -0.040 0.006 . 2 . . . . 86 LEU HD2 . 7125 1 799 . 1 1 86 86 LEU HD22 H 1 -0.040 0.006 . 2 . . . . 86 LEU HD2 . 7125 1 800 . 1 1 86 86 LEU HD23 H 1 -0.040 0.006 . 2 . . . . 86 LEU HD2 . 7125 1 801 . 1 1 86 86 LEU CA C 13 57.826 0.088 . 1 . . . . 86 LEU CA . 7125 1 802 . 1 1 86 86 LEU CB C 13 42.197 0.000 . 1 . . . . 86 LEU CB . 7125 1 803 . 1 1 86 86 LEU CG C 13 26.367 0.016 . 1 . . . . 86 LEU CG . 7125 1 804 . 1 1 86 86 LEU CD1 C 13 23.050 0.058 . 2 . . . . 86 LEU CD1 . 7125 1 805 . 1 1 86 86 LEU CD2 C 13 27.227 0.056 . 2 . . . . 86 LEU CD2 . 7125 1 806 . 1 1 86 86 LEU N N 15 116.255 0.060 . 1 . . . . 86 LEU N . 7125 1 807 . 1 1 87 87 HIS H H 1 7.238 0.004 . 1 . . . . 87 HIS HN . 7125 1 808 . 1 1 87 87 HIS HB3 H 1 2.263 0.000 . 2 . . . . 87 HIS HB3 . 7125 1 809 . 1 1 87 87 HIS HD1 H 1 9.433 0.007 . 1 . . . . 87 HIS HD1 . 7125 1 810 . 1 1 87 87 HIS HD2 H 1 1.000 0.000 . 1 . . . . 87 HIS HD2 . 7125 1 811 . 1 1 87 87 HIS HE1 H 1 1.436 0.008 . 1 . . . . 87 HIS HE1 . 7125 1 812 . 1 1 87 87 HIS CA C 13 61.268 0.000 . 1 . . . . 87 HIS CA . 7125 1 813 . 1 1 87 87 HIS CB C 13 31.087 0.000 . 1 . . . . 87 HIS CB . 7125 1 814 . 1 1 87 87 HIS CD2 C 13 122.957 0.000 . 1 . . . . 87 HIS CD2 . 7125 1 815 . 1 1 87 87 HIS CE1 C 13 132.612 0.108 . 1 . . . . 87 HIS CE1 . 7125 1 816 . 1 1 87 87 HIS N N 15 112.288 0.085 . 1 . . . . 87 HIS N . 7125 1 817 . 1 1 87 87 HIS ND1 N 15 163.386 0.073 . 1 . . . . 87 HIS ND1 . 7125 1 818 . 1 1 87 87 HIS NE2 N 15 218.348 0.000 . 1 . . . . 87 HIS NE2 . 7125 1 819 . 1 1 88 88 ALA HA H 1 4.387 0.009 . 1 . . . . 88 ALA HA . 7125 1 820 . 1 1 88 88 ALA HB1 H 1 0.779 0.031 . 1 . . . . 88 ALA HB# . 7125 1 821 . 1 1 88 88 ALA HB2 H 1 0.779 0.031 . 1 . . . . 88 ALA HB# . 7125 1 822 . 1 1 88 88 ALA HB3 H 1 0.779 0.031 . 1 . . . . 88 ALA HB# . 7125 1 823 . 1 1 88 88 ALA CA C 13 53.506 0.073 . 1 . . . . 88 ALA CA . 7125 1 824 . 1 1 88 88 ALA CB C 13 19.243 0.101 . 1 . . . . 88 ALA CB . 7125 1 825 . 1 1 89 89 HIS H H 1 7.216 0.009 . 1 . . . . 89 HIS HN . 7125 1 826 . 1 1 89 89 HIS HA H 1 4.492 0.006 . 1 . . . . 89 HIS HA . 7125 1 827 . 1 1 89 89 HIS HB2 H 1 3.293 0.035 . 1 . . . . 89 HIS HB2 . 7125 1 828 . 1 1 89 89 HIS HB3 H 1 3.162 0.000 . 1 . . . . 89 HIS HB3 . 7125 1 829 . 1 1 89 89 HIS HD2 H 1 6.925 0.000 . 1 . . . . 89 HIS HD2 . 7125 1 830 . 1 1 89 89 HIS HE1 H 1 7.704 0.000 . 1 . . . . 89 HIS HE1 . 7125 1 831 . 1 1 89 89 HIS CA C 13 58.336 0.056 . 1 . . . . 89 HIS CA . 7125 1 832 . 1 1 89 89 HIS CB C 13 31.158 0.064 . 1 . . . . 89 HIS CB . 7125 1 833 . 1 1 89 89 HIS CD2 C 13 115.699 0.000 . 1 . . . . 89 HIS CD2 . 7125 1 834 . 1 1 89 89 HIS CE1 C 13 138.208 0.000 . 1 . . . . 89 HIS CE1 . 7125 1 835 . 1 1 89 89 HIS N N 15 114.928 0.019 . 1 . . . . 89 HIS N . 7125 1 836 . 1 1 90 90 LYS H H 1 7.430 0.008 . 1 . . . . 90 LYS HN . 7125 1 837 . 1 1 90 90 LYS HA H 1 4.110 0.006 . 1 . . . . 90 LYS HA . 7125 1 838 . 1 1 90 90 LYS HB2 H 1 1.940 0.008 . 2 . . . . 90 LYS HB2 . 7125 1 839 . 1 1 90 90 LYS HG2 H 1 1.337 0.002 . 2 . . . . 90 LYS HG2 . 7125 1 840 . 1 1 90 90 LYS HG3 H 1 1.195 0.002 . 1 . . . . 90 LYS HG3 . 7125 1 841 . 1 1 90 90 LYS HD2 H 1 1.513 0.003 . 2 . . . . 90 LYS HD2 . 7125 1 842 . 1 1 90 90 LYS HE2 H 1 2.865 0.005 . 2 . . . . 90 LYS HE2 . 7125 1 843 . 1 1 90 90 LYS CA C 13 59.003 0.052 . 1 . . . . 90 LYS CA . 7125 1 844 . 1 1 90 90 LYS CB C 13 32.434 0.063 . 1 . . . . 90 LYS CB . 7125 1 845 . 1 1 90 90 LYS CG C 13 25.366 0.031 . 1 . . . . 90 LYS CG . 7125 1 846 . 1 1 90 90 LYS CD C 13 29.103 0.024 . 1 . . . . 90 LYS CD . 7125 1 847 . 1 1 90 90 LYS CE C 13 42.243 0.066 . 1 . . . . 90 LYS CE . 7125 1 848 . 1 1 90 90 LYS N N 15 117.273 0.070 . 1 . . . . 90 LYS N . 7125 1 849 . 1 1 91 91 LEU HA H 1 4.105 0.009 . 1 . . . . 91 LEU HA . 7125 1 850 . 1 1 91 91 LEU HG H 1 1.089 0.009 . 1 . . . . 91 LEU HG . 7125 1 851 . 1 1 91 91 LEU HD11 H 1 0.942 0.005 . 2 . . . . 91 LEU HD1 . 7125 1 852 . 1 1 91 91 LEU HD12 H 1 0.942 0.005 . 2 . . . . 91 LEU HD1 . 7125 1 853 . 1 1 91 91 LEU HD13 H 1 0.942 0.005 . 2 . . . . 91 LEU HD1 . 7125 1 854 . 1 1 91 91 LEU HD21 H 1 -0.654 0.011 . 2 . . . . 91 LEU HD2 . 7125 1 855 . 1 1 91 91 LEU HD22 H 1 -0.654 0.011 . 2 . . . . 91 LEU HD2 . 7125 1 856 . 1 1 91 91 LEU HD23 H 1 -0.654 0.011 . 2 . . . . 91 LEU HD2 . 7125 1 857 . 1 1 91 91 LEU CA C 13 55.968 0.066 . 1 . . . . 91 LEU CA . 7125 1 858 . 1 1 91 91 LEU CG C 13 26.303 0.052 . 1 . . . . 91 LEU CG . 7125 1 859 . 1 1 91 91 LEU CD1 C 13 22.366 0.072 . 2 . . . . 91 LEU CD1 . 7125 1 860 . 1 1 91 91 LEU CD2 C 13 25.302 0.051 . 2 . . . . 91 LEU CD2 . 7125 1 861 . 1 1 92 92 ARG H H 1 6.488 0.010 . 1 . . . . 92 ARG HN . 7125 1 862 . 1 1 92 92 ARG HA H 1 3.884 0.027 . 1 . . . . 92 ARG HA . 7125 1 863 . 1 1 92 92 ARG HB2 H 1 1.356 0.000 . 2 . . . . 92 ARG HB2 . 7125 1 864 . 1 1 92 92 ARG HB3 H 1 1.720 0.000 . 2 . . . . 92 ARG HB3 . 7125 1 865 . 1 1 92 92 ARG HG2 H 1 0.283 0.000 . 2 . . . . 92 ARG HG2 . 7125 1 866 . 1 1 92 92 ARG HG3 H 1 0.974 0.000 . 2 . . . . 92 ARG HG3 . 7125 1 867 . 1 1 92 92 ARG HD2 H 1 3.068 0.000 . 2 . . . . 92 ARG HD2 . 7125 1 868 . 1 1 92 92 ARG CA C 13 57.342 0.065 . 1 . . . . 92 ARG CA . 7125 1 869 . 1 1 92 92 ARG CB C 13 27.795 0.024 . 1 . . . . 92 ARG CB . 7125 1 870 . 1 1 92 92 ARG CG C 13 21.836 0.021 . 1 . . . . 92 ARG CG . 7125 1 871 . 1 1 92 92 ARG CD C 13 44.535 0.000 . 1 . . . . 92 ARG CD . 7125 1 872 . 1 1 92 92 ARG N N 15 111.608 0.052 . 1 . . . . 92 ARG N . 7125 1 873 . 1 1 93 93 VAL H H 1 7.486 0.015 . 1 . . . . 93 VAL HN . 7125 1 874 . 1 1 93 93 VAL HA H 1 3.774 0.008 . 1 . . . . 93 VAL HA . 7125 1 875 . 1 1 93 93 VAL HB H 1 1.402 0.021 . 1 . . . . 93 VAL HB . 7125 1 876 . 1 1 93 93 VAL HG11 H 1 0.547 0.086 . 2 . . . . 93 VAL HG1# . 7125 1 877 . 1 1 93 93 VAL HG12 H 1 0.547 0.086 . 2 . . . . 93 VAL HG1# . 7125 1 878 . 1 1 93 93 VAL HG13 H 1 0.547 0.086 . 2 . . . . 93 VAL HG1# . 7125 1 879 . 1 1 93 93 VAL HG21 H 1 0.284 0.014 . 2 . . . . 93 VAL HG2# . 7125 1 880 . 1 1 93 93 VAL HG22 H 1 0.284 0.014 . 2 . . . . 93 VAL HG2# . 7125 1 881 . 1 1 93 93 VAL HG23 H 1 0.284 0.014 . 2 . . . . 93 VAL HG2# . 7125 1 882 . 1 1 93 93 VAL CA C 13 63.614 0.055 . 1 . . . . 93 VAL CA . 7125 1 883 . 1 1 93 93 VAL CB C 13 32.500 0.086 . 1 . . . . 93 VAL CB . 7125 1 884 . 1 1 93 93 VAL CG1 C 13 22.306 0.200 . 2 . . . . 93 VAL CG1 . 7125 1 885 . 1 1 93 93 VAL CG2 C 13 22.118 0.041 . 2 . . . . 93 VAL CG2 . 7125 1 886 . 1 1 93 93 VAL N N 15 115.834 0.050 . 1 . . . . 93 VAL N . 7125 1 887 . 1 1 94 94 ASP H H 1 7.674 0.022 . 1 . . . . 94 ASP HN . 7125 1 888 . 1 1 94 94 ASP N N 15 129.626 0.049 . 1 . . . . 94 ASP N . 7125 1 889 . 1 1 96 96 VAL H H 1 8.970 0.009 . 1 . . . . 96 VAL HN . 7125 1 890 . 1 1 96 96 VAL HA H 1 3.800 0.011 . 1 . . . . 96 VAL HA . 7125 1 891 . 1 1 96 96 VAL HB H 1 2.052 0.012 . 1 . . . . 96 VAL HB . 7125 1 892 . 1 1 96 96 VAL HG11 H 1 0.870 0.006 . 2 . . . . 96 VAL HG1# . 7125 1 893 . 1 1 96 96 VAL HG12 H 1 0.870 0.006 . 2 . . . . 96 VAL HG1# . 7125 1 894 . 1 1 96 96 VAL HG13 H 1 0.870 0.006 . 2 . . . . 96 VAL HG1# . 7125 1 895 . 1 1 96 96 VAL HG21 H 1 0.925 0.008 . 2 . . . . 96 VAL HG2# . 7125 1 896 . 1 1 96 96 VAL HG22 H 1 0.925 0.008 . 2 . . . . 96 VAL HG2# . 7125 1 897 . 1 1 96 96 VAL HG23 H 1 0.925 0.008 . 2 . . . . 96 VAL HG2# . 7125 1 898 . 1 1 96 96 VAL CA C 13 66.199 0.064 . 1 . . . . 96 VAL CA . 7125 1 899 . 1 1 96 96 VAL CB C 13 31.450 0.094 . 1 . . . . 96 VAL CB . 7125 1 900 . 1 1 96 96 VAL CG1 C 13 20.339 0.075 . 2 . . . . 96 VAL CG1 . 7125 1 901 . 1 1 96 96 VAL CG2 C 13 21.021 0.108 . 2 . . . . 96 VAL CG2 . 7125 1 902 . 1 1 96 96 VAL N N 15 120.185 0.071 . 1 . . . . 96 VAL N . 7125 1 903 . 1 1 97 97 ASN H H 1 8.343 0.008 . 1 . . . . 97 ASN HN . 7125 1 904 . 1 1 97 97 ASN HA H 1 4.442 0.024 . 1 . . . . 97 ASN HA . 7125 1 905 . 1 1 97 97 ASN HB2 H 1 2.536 0.000 . 2 . . . . 97 ASN HB2 . 7125 1 906 . 1 1 97 97 ASN CA C 13 56.937 0.059 . 1 . . . . 97 ASN CA . 7125 1 907 . 1 1 97 97 ASN CB C 13 40.380 0.000 . 1 . . . . 97 ASN CB . 7125 1 908 . 1 1 97 97 ASN N N 15 116.564 0.071 . 1 . . . . 97 ASN N . 7125 1 909 . 1 1 98 98 PHE H H 1 7.900 0.008 . 1 . . . . 98 PHE HN . 7125 1 910 . 1 1 98 98 PHE HA H 1 4.486 0.004 . 1 . . . . 98 PHE HA . 7125 1 911 . 1 1 98 98 PHE HB2 H 1 3.248 0.000 . 2 . . . . 98 PHE HB2 . 7125 1 912 . 1 1 98 98 PHE HD1 H 1 7.523 0.006 . 3 . . . . 98 PHE HD1 . 7125 1 913 . 1 1 98 98 PHE HE1 H 1 6.287 0.007 . 3 . . . . 98 PHE HE1 . 7125 1 914 . 1 1 98 98 PHE CA C 13 63.087 0.028 . 1 . . . . 98 PHE CA . 7125 1 915 . 1 1 98 98 PHE CB C 13 37.034 0.000 . 1 . . . . 98 PHE CB . 7125 1 916 . 1 1 98 98 PHE CD1 C 13 131.314 0.200 . 3 . . . . 98 PHE CD1 . 7125 1 917 . 1 1 98 98 PHE CD2 C 13 131.002 0.000 . 1 . . . . 98 PHE CD2 . 7125 1 918 . 1 1 98 98 PHE CE1 C 13 132.781 0.036 . 3 . . . . 98 PHE CE1 . 7125 1 919 . 1 1 98 98 PHE N N 15 118.456 0.082 . 1 . . . . 98 PHE N . 7125 1 920 . 1 1 99 99 LYS H H 1 7.475 0.020 . 1 . . . . 99 LYS HN . 7125 1 921 . 1 1 99 99 LYS HA H 1 4.366 0.016 . 1 . . . . 99 LYS HA . 7125 1 922 . 1 1 99 99 LYS HB2 H 1 2.059 0.075 . 2 . . . . 99 LYS HB2 . 7125 1 923 . 1 1 99 99 LYS HB3 H 1 1.930 0.020 . 2 . . . . 99 LYS HB3 . 7125 1 924 . 1 1 99 99 LYS HG2 H 1 1.595 0.025 . 2 . . . . 99 LYS HG2 . 7125 1 925 . 1 1 99 99 LYS HD2 H 1 1.726 0.008 . 2 . . . . 99 LYS HD2 . 7125 1 926 . 1 1 99 99 LYS HE2 H 1 2.989 0.015 . 2 . . . . 99 LYS HE2 . 7125 1 927 . 1 1 99 99 LYS CA C 13 59.661 0.051 . 1 . . . . 99 LYS CA . 7125 1 928 . 1 1 99 99 LYS CB C 13 32.067 0.145 . 1 . . . . 99 LYS CB . 7125 1 929 . 1 1 99 99 LYS CG C 13 25.825 0.016 . 1 . . . . 99 LYS CG . 7125 1 930 . 1 1 99 99 LYS CD C 13 29.839 0.024 . 1 . . . . 99 LYS CD . 7125 1 931 . 1 1 99 99 LYS CE C 13 42.173 0.054 . 1 . . . . 99 LYS CE . 7125 1 932 . 1 1 99 99 LYS N N 15 121.173 0.080 . 1 . . . . 99 LYS N . 7125 1 933 . 1 1 100 100 LEU H H 1 7.359 0.005 . 1 . . . . 100 LEU HN . 7125 1 934 . 1 1 100 100 LEU HA H 1 3.868 0.028 . 1 . . . . 100 LEU HA . 7125 1 935 . 1 1 100 100 LEU HB2 H 1 1.814 0.000 . 2 . . . . 100 LEU HB2 . 7125 1 936 . 1 1 100 100 LEU HG H 1 1.807 0.014 . 1 . . . . 100 LEU HG . 7125 1 937 . 1 1 100 100 LEU HD11 H 1 0.678 0.010 . 2 . . . . 100 LEU HD1 . 7125 1 938 . 1 1 100 100 LEU HD12 H 1 0.678 0.010 . 2 . . . . 100 LEU HD1 . 7125 1 939 . 1 1 100 100 LEU HD13 H 1 0.678 0.010 . 2 . . . . 100 LEU HD1 . 7125 1 940 . 1 1 100 100 LEU HD21 H 1 -0.187 0.018 . 2 . . . . 100 LEU HD2 . 7125 1 941 . 1 1 100 100 LEU HD22 H 1 -0.187 0.018 . 2 . . . . 100 LEU HD2 . 7125 1 942 . 1 1 100 100 LEU HD23 H 1 -0.187 0.018 . 2 . . . . 100 LEU HD2 . 7125 1 943 . 1 1 100 100 LEU CA C 13 57.841 0.071 . 1 . . . . 100 LEU CA . 7125 1 944 . 1 1 100 100 LEU CB C 13 43.204 0.000 . 1 . . . . 100 LEU CB . 7125 1 945 . 1 1 100 100 LEU CG C 13 25.280 0.101 . 1 . . . . 100 LEU CG . 7125 1 946 . 1 1 100 100 LEU CD1 C 13 24.765 0.078 . 1 . . . . 100 LEU CD1 . 7125 1 947 . 1 1 100 100 LEU CD2 C 13 19.500 0.090 . 1 . . . . 100 LEU CD2 . 7125 1 948 . 1 1 100 100 LEU N N 15 119.418 0.053 . 1 . . . . 100 LEU N . 7125 1 949 . 1 1 101 101 LEU H H 1 8.197 0.008 . 1 . . . . 101 LEU HN . 7125 1 950 . 1 1 101 101 LEU HA H 1 3.995 0.016 . 1 . . . . 101 LEU HA . 7125 1 951 . 1 1 101 101 LEU HB2 H 1 1.736 0.000 . 2 . . . . 101 LEU HB1 . 7125 1 952 . 1 1 101 101 LEU HB3 H 1 1.953 0.000 . 2 . . . . 101 LEU HB3 . 7125 1 953 . 1 1 101 101 LEU HG H 1 1.411 0.025 . 1 . . . . 101 LEU HG . 7125 1 954 . 1 1 101 101 LEU HD11 H 1 0.218 0.008 . 2 . . . . 101 LEU HD1 . 7125 1 955 . 1 1 101 101 LEU HD12 H 1 0.218 0.008 . 2 . . . . 101 LEU HD1 . 7125 1 956 . 1 1 101 101 LEU HD13 H 1 0.218 0.008 . 2 . . . . 101 LEU HD1 . 7125 1 957 . 1 1 101 101 LEU HD21 H 1 0.358 0.010 . 2 . . . . 101 LEU HD2 . 7125 1 958 . 1 1 101 101 LEU HD22 H 1 0.358 0.010 . 2 . . . . 101 LEU HD2 . 7125 1 959 . 1 1 101 101 LEU HD23 H 1 0.358 0.010 . 2 . . . . 101 LEU HD2 . 7125 1 960 . 1 1 101 101 LEU CA C 13 58.935 0.084 . 1 . . . . 101 LEU CA . 7125 1 961 . 1 1 101 101 LEU CB C 13 41.489 0.313 . 1 . . . . 101 LEU CB . 7125 1 962 . 1 1 101 101 LEU CG C 13 28.151 0.044 . 1 . . . . 101 LEU CG . 7125 1 963 . 1 1 101 101 LEU CD1 C 13 26.420 0.111 . 2 . . . . 101 LEU CD1 . 7125 1 964 . 1 1 101 101 LEU CD2 C 13 22.764 0.120 . 2 . . . . 101 LEU CD2 . 7125 1 965 . 1 1 101 101 LEU N N 15 120.829 0.087 . 1 . . . . 101 LEU N . 7125 1 966 . 1 1 102 102 SER H H 1 8.379 0.005 . 1 . . . . 102 SER HN . 7125 1 967 . 1 1 102 102 SER HA H 1 4.171 0.038 . 1 . . . . 102 SER HA . 7125 1 968 . 1 1 102 102 SER HB2 H 1 4.188 0.000 . 1 . . . . 102 SER HB2 . 7125 1 969 . 1 1 102 102 SER CA C 13 63.694 0.654 . 1 . . . . 102 SER CA . 7125 1 970 . 1 1 102 102 SER CB C 13 63.853 0.000 . 1 . . . . 102 SER CB . 7125 1 971 . 1 1 102 102 SER N N 15 114.839 0.083 . 1 . . . . 102 SER N . 7125 1 972 . 1 1 103 103 HIS H H 1 7.806 0.008 . 1 . . . . 103 HIS HN . 7125 1 973 . 1 1 103 103 HIS HA H 1 4.551 0.010 . 1 . . . . 103 HIS HA . 7125 1 974 . 1 1 103 103 HIS HB2 H 1 3.331 0.029 . 2 . . . . 103 HIS HB2 . 7125 1 975 . 1 1 103 103 HIS HD2 H 1 6.725 0.005 . 1 . . . . 103 HIS HD2 . 7125 1 976 . 1 1 103 103 HIS HE1 H 1 8.130 0.010 . 1 . . . . 103 HIS HE1 . 7125 1 977 . 1 1 103 103 HIS HE2 H 1 12.080 0.009 . 1 . . . . 103 HIS HE2 . 7125 1 978 . 1 1 103 103 HIS CA C 13 60.095 0.044 . 1 . . . . 103 HIS CA . 7125 1 979 . 1 1 103 103 HIS CB C 13 31.279 0.076 . 1 . . . . 103 HIS CB . 7125 1 980 . 1 1 103 103 HIS CD2 C 13 115.747 0.032 . 1 . . . . 103 HIS CD2 . 7125 1 981 . 1 1 103 103 HIS CE1 C 13 139.214 0.038 . 1 . . . . 103 HIS CE1 . 7125 1 982 . 1 1 103 103 HIS N N 15 119.663 0.096 . 1 . . . . 103 HIS N . 7125 1 983 . 1 1 103 103 HIS NE2 N 15 163.856 0.000 . 1 . . . . 103 HIS NE2 . 7125 1 984 . 1 1 104 104 CYS H H 1 7.882 0.006 . 1 . . . . 104 CYS HN . 7125 1 985 . 1 1 104 104 CYS HA H 1 3.764 0.023 . 1 . . . . 104 CYS HA . 7125 1 986 . 1 1 104 104 CYS CA C 13 66.052 0.155 . 1 . . . . 104 CYS CA . 7125 1 987 . 1 1 104 104 CYS N N 15 114.982 0.078 . 1 . . . . 104 CYS N . 7125 1 988 . 1 1 105 105 LEU H H 1 8.904 0.009 . 1 . . . . 105 LEU HN . 7125 1 989 . 1 1 105 105 LEU HA H 1 3.964 0.011 . 1 . . . . 105 LEU HA . 7125 1 990 . 1 1 105 105 LEU HB2 H 1 1.613 0.003 . 2 . . . . 105 LEU HB2 . 7125 1 991 . 1 1 105 105 LEU HB3 H 1 1.864 0.021 . 2 . . . . 105 LEU HB3 . 7125 1 992 . 1 1 105 105 LEU HG H 1 1.517 0.016 . 1 . . . . 105 LEU HG . 7125 1 993 . 1 1 105 105 LEU HD11 H 1 0.849 0.014 . 2 . . . . 105 LEU HD1 . 7125 1 994 . 1 1 105 105 LEU HD12 H 1 0.849 0.014 . 2 . . . . 105 LEU HD1 . 7125 1 995 . 1 1 105 105 LEU HD13 H 1 0.849 0.014 . 2 . . . . 105 LEU HD1 . 7125 1 996 . 1 1 105 105 LEU HD21 H 1 0.872 0.001 . 2 . . . . 105 LEU HD2 . 7125 1 997 . 1 1 105 105 LEU HD22 H 1 0.872 0.001 . 2 . . . . 105 LEU HD2 . 7125 1 998 . 1 1 105 105 LEU HD23 H 1 0.872 0.001 . 2 . . . . 105 LEU HD2 . 7125 1 999 . 1 1 105 105 LEU CA C 13 58.822 0.175 . 1 . . . . 105 LEU CA . 7125 1 1000 . 1 1 105 105 LEU CB C 13 42.013 0.096 . 1 . . . . 105 LEU CB . 7125 1 1001 . 1 1 105 105 LEU CG C 13 27.922 0.083 . 1 . . . . 105 LEU CG . 7125 1 1002 . 1 1 105 105 LEU CD1 C 13 24.998 0.127 . 2 . . . . 105 LEU CD1 . 7125 1 1003 . 1 1 105 105 LEU CD2 C 13 25.208 0.029 . 2 . . . . 105 LEU CD2 . 7125 1 1004 . 1 1 105 105 LEU N N 15 125.054 0.039 . 1 . . . . 105 LEU N . 7125 1 1005 . 1 1 106 106 LEU HA H 1 3.926 0.088 . 1 . . . . 106 LEU HA . 7125 1 1006 . 1 1 106 106 LEU HD11 H 1 0.972 0.000 . 2 . . . . 106 LEU HD1 . 7125 1 1007 . 1 1 106 106 LEU HD12 H 1 0.972 0.000 . 2 . . . . 106 LEU HD1 . 7125 1 1008 . 1 1 106 106 LEU HD13 H 1 0.972 0.000 . 2 . . . . 106 LEU HD1 . 7125 1 1009 . 1 1 106 106 LEU HD21 H 1 1.273 0.000 . 2 . . . . 106 LEU HD2 . 7125 1 1010 . 1 1 106 106 LEU HD22 H 1 1.273 0.000 . 2 . . . . 106 LEU HD2 . 7125 1 1011 . 1 1 106 106 LEU HD23 H 1 1.273 0.000 . 2 . . . . 106 LEU HD2 . 7125 1 1012 . 1 1 106 106 LEU CA C 13 59.277 0.184 . 1 . . . . 106 LEU CA . 7125 1 1013 . 1 1 106 106 LEU CD1 C 13 24.598 0.049 . 2 . . . . 106 LEU CD1 . 7125 1 1014 . 1 1 106 106 LEU CD2 C 13 27.218 0.000 . 2 . . . . 106 LEU CD2 . 7125 1 1015 . 1 1 107 107 VAL H H 1 8.224 0.007 . 1 . . . . 107 VAL HN . 7125 1 1016 . 1 1 107 107 VAL HA H 1 2.939 0.008 . 1 . . . . 107 VAL HA . 7125 1 1017 . 1 1 107 107 VAL HB H 1 1.700 0.020 . 1 . . . . 107 VAL HB . 7125 1 1018 . 1 1 107 107 VAL HG11 H 1 0.675 0.007 . 2 . . . . 107 VAL HG1# . 7125 1 1019 . 1 1 107 107 VAL HG12 H 1 0.675 0.007 . 2 . . . . 107 VAL HG1# . 7125 1 1020 . 1 1 107 107 VAL HG13 H 1 0.675 0.007 . 2 . . . . 107 VAL HG1# . 7125 1 1021 . 1 1 107 107 VAL HG21 H 1 0.518 0.010 . 2 . . . . 107 VAL HG2# . 7125 1 1022 . 1 1 107 107 VAL HG22 H 1 0.518 0.010 . 2 . . . . 107 VAL HG2# . 7125 1 1023 . 1 1 107 107 VAL HG23 H 1 0.518 0.010 . 2 . . . . 107 VAL HG2# . 7125 1 1024 . 1 1 107 107 VAL CA C 13 67.153 0.124 . 1 . . . . 107 VAL CA . 7125 1 1025 . 1 1 107 107 VAL CB C 13 32.279 0.151 . 1 . . . . 107 VAL CB . 7125 1 1026 . 1 1 107 107 VAL CG1 C 13 21.380 0.099 . 2 . . . . 107 VAL CG1 . 7125 1 1027 . 1 1 107 107 VAL CG2 C 13 25.542 0.078 . 2 . . . . 107 VAL CG2 . 7125 1 1028 . 1 1 107 107 VAL N N 15 117.605 0.028 . 1 . . . . 107 VAL N . 7125 1 1029 . 1 1 108 108 THR H H 1 7.164 0.004 . 1 . . . . 108 THR HN . 7125 1 1030 . 1 1 108 108 THR HA H 1 3.433 0.011 . 1 . . . . 108 THR HA . 7125 1 1031 . 1 1 108 108 THR HB H 1 4.235 0.018 . 1 . . . . 108 THR HB . 7125 1 1032 . 1 1 108 108 THR HG21 H 1 1.066 0.014 . 1 . . . . 108 THR HG2# . 7125 1 1033 . 1 1 108 108 THR HG22 H 1 1.066 0.014 . 1 . . . . 108 THR HG2# . 7125 1 1034 . 1 1 108 108 THR HG23 H 1 1.066 0.014 . 1 . . . . 108 THR HG2# . 7125 1 1035 . 1 1 108 108 THR CA C 13 68.102 0.083 . 1 . . . . 108 THR CA . 7125 1 1036 . 1 1 108 108 THR CB C 13 68.941 0.109 . 1 . . . . 108 THR CB . 7125 1 1037 . 1 1 108 108 THR CG2 C 13 20.532 0.124 . 1 . . . . 108 THR CG2 . 7125 1 1038 . 1 1 108 108 THR N N 15 114.891 0.059 . 1 . . . . 108 THR N . 7125 1 1039 . 1 1 109 109 LEU H H 1 8.028 0.005 . 1 . . . . 109 LEU HN . 7125 1 1040 . 1 1 109 109 LEU HA H 1 3.476 0.005 . 1 . . . . 109 LEU HA . 7125 1 1041 . 1 1 109 109 LEU HB2 H 1 1.664 0.005 . 2 . . . . 109 LEU HB2 . 7125 1 1042 . 1 1 109 109 LEU HB3 H 1 1.043 0.000 . 2 . . . . 109 LEU HB3 . 7125 1 1043 . 1 1 109 109 LEU HG H 1 1.844 0.007 . 1 . . . . 109 LEU HG . 7125 1 1044 . 1 1 109 109 LEU HD11 H 1 0.932 0.007 . 2 . . . . 109 LEU HD1 . 7125 1 1045 . 1 1 109 109 LEU HD12 H 1 0.932 0.007 . 2 . . . . 109 LEU HD1 . 7125 1 1046 . 1 1 109 109 LEU HD13 H 1 0.932 0.007 . 2 . . . . 109 LEU HD1 . 7125 1 1047 . 1 1 109 109 LEU HD21 H 1 0.678 0.008 . 2 . . . . 109 LEU HD2 . 7125 1 1048 . 1 1 109 109 LEU HD22 H 1 0.678 0.008 . 2 . . . . 109 LEU HD2 . 7125 1 1049 . 1 1 109 109 LEU HD23 H 1 0.678 0.008 . 2 . . . . 109 LEU HD2 . 7125 1 1050 . 1 1 109 109 LEU CA C 13 58.794 0.127 . 1 . . . . 109 LEU CA . 7125 1 1051 . 1 1 109 109 LEU CB C 13 41.315 0.056 . 1 . . . . 109 LEU CB . 7125 1 1052 . 1 1 109 109 LEU CG C 13 27.595 0.102 . 1 . . . . 109 LEU CG . 7125 1 1053 . 1 1 109 109 LEU CD1 C 13 25.989 0.071 . 2 . . . . 109 LEU CD1 . 7125 1 1054 . 1 1 109 109 LEU CD2 C 13 23.644 0.117 . 2 . . . . 109 LEU CD2 . 7125 1 1055 . 1 1 109 109 LEU N N 15 120.418 0.048 . 1 . . . . 109 LEU N . 7125 1 1056 . 1 1 110 110 ALA H H 1 7.878 0.005 . 1 . . . . 110 ALA HN . 7125 1 1057 . 1 1 110 110 ALA HA H 1 2.748 0.017 . 1 . . . . 110 ALA HA . 7125 1 1058 . 1 1 110 110 ALA HB1 H 1 0.360 0.009 . 1 . . . . 110 ALA HB# . 7125 1 1059 . 1 1 110 110 ALA HB2 H 1 0.360 0.009 . 1 . . . . 110 ALA HB# . 7125 1 1060 . 1 1 110 110 ALA HB3 H 1 0.360 0.009 . 1 . . . . 110 ALA HB# . 7125 1 1061 . 1 1 110 110 ALA CA C 13 55.455 0.117 . 1 . . . . 110 ALA CA . 7125 1 1062 . 1 1 110 110 ALA CB C 13 18.381 0.100 . 1 . . . . 110 ALA CB . 7125 1 1063 . 1 1 110 110 ALA N N 15 121.784 0.071 . 1 . . . . 110 ALA N . 7125 1 1064 . 1 1 111 111 ALA H H 1 7.423 0.006 . 1 . . . . 111 ALA HN . 7125 1 1065 . 1 1 111 111 ALA HA H 1 3.959 0.017 . 1 . . . . 111 ALA HA . 7125 1 1066 . 1 1 111 111 ALA HB1 H 1 0.955 0.006 . 1 . . . . 111 ALA HB# . 7125 1 1067 . 1 1 111 111 ALA HB2 H 1 0.955 0.006 . 1 . . . . 111 ALA HB# . 7125 1 1068 . 1 1 111 111 ALA HB3 H 1 0.955 0.006 . 1 . . . . 111 ALA HB# . 7125 1 1069 . 1 1 111 111 ALA CA C 13 53.483 0.070 . 1 . . . . 111 ALA CA . 7125 1 1070 . 1 1 111 111 ALA CB C 13 18.091 0.092 . 1 . . . . 111 ALA CB . 7125 1 1071 . 1 1 111 111 ALA N N 15 113.280 0.060 . 1 . . . . 111 ALA N . 7125 1 1072 . 1 1 112 112 HIS H H 1 7.230 0.005 . 1 . . . . 112 HIS HN . 7125 1 1073 . 1 1 112 112 HIS HA H 1 4.310 0.005 . 1 . . . . 112 HIS HA . 7125 1 1074 . 1 1 112 112 HIS HB2 H 1 3.108 0.003 . 1 . . . . 112 HIS HB2 . 7125 1 1075 . 1 1 112 112 HIS HD2 H 1 7.153 0.000 . 1 . . . . 112 HIS HD2 . 7125 1 1076 . 1 1 112 112 HIS HE1 H 1 8.252 0.001 . 1 . . . . 112 HIS HE1 . 7125 1 1077 . 1 1 112 112 HIS CA C 13 57.409 0.056 . 1 . . . . 112 HIS CA . 7125 1 1078 . 1 1 112 112 HIS CB C 13 31.152 0.000 . 1 . . . . 112 HIS CB . 7125 1 1079 . 1 1 112 112 HIS CD2 C 13 121.245 0.000 . 1 . . . . 112 HIS CD2 . 7125 1 1080 . 1 1 112 112 HIS CE1 C 13 136.449 0.000 . 1 . . . . 112 HIS CE1 . 7125 1 1081 . 1 1 112 112 HIS N N 15 112.348 0.078 . 1 . . . . 112 HIS N . 7125 1 1082 . 1 1 113 113 LEU H H 1 8.246 0.004 . 1 . . . . 113 LEU HN . 7125 1 1083 . 1 1 113 113 LEU HA H 1 4.965 0.024 . 1 . . . . 113 LEU HA . 7125 1 1084 . 1 1 113 113 LEU HB2 H 1 1.713 0.000 . 2 . . . . 113 LEU HB2 . 7125 1 1085 . 1 1 113 113 LEU HB3 H 1 1.674 0.000 . 2 . . . . 113 LEU HB3 . 7125 1 1086 . 1 1 113 113 LEU HG H 1 1.503 0.009 . 1 . . . . 113 LEU HG . 7125 1 1087 . 1 1 113 113 LEU HD11 H 1 0.770 0.012 . 2 . . . . 113 LEU HD1 . 7125 1 1088 . 1 1 113 113 LEU HD12 H 1 0.770 0.012 . 2 . . . . 113 LEU HD1 . 7125 1 1089 . 1 1 113 113 LEU HD13 H 1 0.770 0.012 . 2 . . . . 113 LEU HD1 . 7125 1 1090 . 1 1 113 113 LEU HD21 H 1 0.846 0.009 . 2 . . . . 113 LEU HD2 . 7125 1 1091 . 1 1 113 113 LEU HD22 H 1 0.846 0.009 . 2 . . . . 113 LEU HD2 . 7125 1 1092 . 1 1 113 113 LEU HD23 H 1 0.846 0.009 . 2 . . . . 113 LEU HD2 . 7125 1 1093 . 1 1 113 113 LEU CA C 13 52.595 0.061 . 1 . . . . 113 LEU CA . 7125 1 1094 . 1 1 113 113 LEU CB C 13 42.233 0.223 . 1 . . . . 113 LEU CB . 7125 1 1095 . 1 1 113 113 LEU CG C 13 26.620 0.018 . 1 . . . . 113 LEU CG . 7125 1 1096 . 1 1 113 113 LEU CD1 C 13 27.339 0.085 . 2 . . . . 113 LEU CD1 . 7125 1 1097 . 1 1 113 113 LEU CD2 C 13 24.590 0.071 . 2 . . . . 113 LEU CD2 . 7125 1 1098 . 1 1 113 113 LEU N N 15 121.163 0.073 . 1 . . . . 113 LEU N . 7125 1 1099 . 1 1 114 114 PRO HG2 H 1 1.944 0.000 . 2 . . . . 114 PRO HG2 . 7125 1 1100 . 1 1 114 114 PRO HD2 H 1 3.604 0.011 . 2 . . . . 114 PRO HD2 . 7125 1 1101 . 1 1 114 114 PRO HD3 H 1 2.981 0.027 . 2 . . . . 114 PRO HD3 . 7125 1 1102 . 1 1 114 114 PRO CA C 13 65.922 0.000 . 1 . . . . 114 PRO CA . 7125 1 1103 . 1 1 114 114 PRO CG C 13 27.593 0.000 . 1 . . . . 114 PRO CG . 7125 1 1104 . 1 1 114 114 PRO CD C 13 50.501 0.138 . 1 . . . . 114 PRO CD . 7125 1 1105 . 1 1 115 115 ALA H H 1 8.308 0.005 . 1 . . . . 115 ALA HN . 7125 1 1106 . 1 1 115 115 ALA HA H 1 4.084 0.012 . 1 . . . . 115 ALA HA . 7125 1 1107 . 1 1 115 115 ALA HB1 H 1 1.325 0.009 . 1 . . . . 115 ALA HB# . 7125 1 1108 . 1 1 115 115 ALA HB2 H 1 1.325 0.009 . 1 . . . . 115 ALA HB# . 7125 1 1109 . 1 1 115 115 ALA HB3 H 1 1.325 0.009 . 1 . . . . 115 ALA HB# . 7125 1 1110 . 1 1 115 115 ALA CA C 13 54.555 0.100 . 1 . . . . 115 ALA CA . 7125 1 1111 . 1 1 115 115 ALA CB C 13 18.511 0.090 . 1 . . . . 115 ALA CB . 7125 1 1112 . 1 1 115 115 ALA N N 15 118.796 0.034 . 1 . . . . 115 ALA N . 7125 1 1113 . 1 1 116 116 GLU H H 1 7.739 0.010 . 1 . . . . 116 GLU HN . 7125 1 1114 . 1 1 116 116 GLU HA H 1 4.327 0.012 . 1 . . . . 116 GLU HA . 7125 1 1115 . 1 1 116 116 GLU HB2 H 1 2.090 0.016 . 1 . . . . 116 GLU HB2 . 7125 1 1116 . 1 1 116 116 GLU HG2 H 1 2.244 0.057 . 1 . . . . 116 GLU HG2 . 7125 1 1117 . 1 1 116 116 GLU HG3 H 1 2.193 0.002 . 1 . . . . 116 GLU HG3 . 7125 1 1118 . 1 1 116 116 GLU CA C 13 56.830 0.054 . 1 . . . . 116 GLU CA . 7125 1 1119 . 1 1 116 116 GLU CB C 13 29.402 0.155 . 1 . . . . 116 GLU CB . 7125 1 1120 . 1 1 116 116 GLU CG C 13 37.116 0.108 . 1 . . . . 116 GLU CG . 7125 1 1121 . 1 1 116 116 GLU N N 15 113.865 0.062 . 1 . . . . 116 GLU N . 7125 1 1122 . 1 1 117 117 PHE H H 1 7.630 0.005 . 1 . . . . 117 PHE HN . 7125 1 1123 . 1 1 117 117 PHE HA H 1 4.276 0.013 . 1 . . . . 117 PHE HA . 7125 1 1124 . 1 1 117 117 PHE HB2 H 1 2.564 0.000 . 2 . . . . 117 PHE HB2 . 7125 1 1125 . 1 1 117 117 PHE HB3 H 1 3.109 0.000 . 2 . . . . 117 PHE HB3 . 7125 1 1126 . 1 1 117 117 PHE HD1 H 1 6.623 0.021 . 3 . . . . 117 PHE HD1 . 7125 1 1127 . 1 1 117 117 PHE HD2 H 1 7.724 0.000 . 3 . . . . 117 PHE HD2 . 7125 1 1128 . 1 1 117 117 PHE HE1 H 1 7.743 0.000 . 3 . . . . 117 PHE HE1 . 7125 1 1129 . 1 1 117 117 PHE CA C 13 57.775 0.094 . 1 . . . . 117 PHE CA . 7125 1 1130 . 1 1 117 117 PHE CB C 13 37.936 0.005 . 1 . . . . 117 PHE CB . 7125 1 1131 . 1 1 117 117 PHE CD1 C 13 131.844 0.019 . 3 . . . . 117 PHE CD1 . 7125 1 1132 . 1 1 117 117 PHE N N 15 122.853 0.067 . 1 . . . . 117 PHE N . 7125 1 1133 . 1 1 118 118 THR H H 1 7.885 0.006 . 1 . . . . 118 THR HN . 7125 1 1134 . 1 1 118 118 THR HA H 1 4.498 0.013 . 1 . . . . 118 THR HA . 7125 1 1135 . 1 1 118 118 THR HB H 1 4.603 0.009 . 1 . . . . 118 THR HB . 7125 1 1136 . 1 1 118 118 THR HG21 H 1 1.184 0.007 . 1 . . . . 118 THR HG2# . 7125 1 1137 . 1 1 118 118 THR HG22 H 1 1.184 0.007 . 1 . . . . 118 THR HG2# . 7125 1 1138 . 1 1 118 118 THR HG23 H 1 1.184 0.007 . 1 . . . . 118 THR HG2# . 7125 1 1139 . 1 1 118 118 THR CA C 13 60.521 0.108 . 1 . . . . 118 THR CA . 7125 1 1140 . 1 1 118 118 THR CB C 13 67.661 0.180 . 1 . . . . 118 THR CB . 7125 1 1141 . 1 1 118 118 THR CG2 C 13 22.426 0.072 . 1 . . . . 118 THR CG2 . 7125 1 1142 . 1 1 118 118 THR N N 15 114.809 0.035 . 1 . . . . 118 THR N . 7125 1 1143 . 1 1 119 119 PRO HA H 1 3.827 0.009 . 1 . . . . 119 PRO HA . 7125 1 1144 . 1 1 119 119 PRO CA C 13 66.734 0.149 . 1 . . . . 119 PRO CA . 7125 1 1145 . 1 1 120 120 ALA H H 1 8.360 0.011 . 1 . . . . 120 ALA HN . 7125 1 1146 . 1 1 120 120 ALA HA H 1 3.808 0.016 . 1 . . . . 120 ALA HA . 7125 1 1147 . 1 1 120 120 ALA HB1 H 1 1.248 0.006 . 1 . . . . 120 ALA HB# . 7125 1 1148 . 1 1 120 120 ALA HB2 H 1 1.248 0.006 . 1 . . . . 120 ALA HB# . 7125 1 1149 . 1 1 120 120 ALA HB3 H 1 1.248 0.006 . 1 . . . . 120 ALA HB# . 7125 1 1150 . 1 1 120 120 ALA CA C 13 54.983 0.100 . 1 . . . . 120 ALA CA . 7125 1 1151 . 1 1 120 120 ALA CB C 13 18.927 0.104 . 1 . . . . 120 ALA CB . 7125 1 1152 . 1 1 120 120 ALA N N 15 116.163 0.053 . 1 . . . . 120 ALA N . 7125 1 1153 . 1 1 121 121 VAL H H 1 7.280 0.011 . 1 . . . . 121 VAL HN . 7125 1 1154 . 1 1 121 121 VAL HA H 1 3.311 0.005 . 1 . . . . 121 VAL HA . 7125 1 1155 . 1 1 121 121 VAL HB H 1 2.048 0.034 . 1 . . . . 121 VAL HB . 7125 1 1156 . 1 1 121 121 VAL HG11 H 1 0.923 0.009 . 2 . . . . 121 VAL HG1# . 7125 1 1157 . 1 1 121 121 VAL HG12 H 1 0.923 0.009 . 2 . . . . 121 VAL HG1# . 7125 1 1158 . 1 1 121 121 VAL HG13 H 1 0.923 0.009 . 2 . . . . 121 VAL HG1# . 7125 1 1159 . 1 1 121 121 VAL HG21 H 1 0.854 0.007 . 2 . . . . 121 VAL HG2# . 7125 1 1160 . 1 1 121 121 VAL HG22 H 1 0.854 0.007 . 2 . . . . 121 VAL HG2# . 7125 1 1161 . 1 1 121 121 VAL HG23 H 1 0.854 0.007 . 2 . . . . 121 VAL HG2# . 7125 1 1162 . 1 1 121 121 VAL CA C 13 67.472 0.079 . 1 . . . . 121 VAL CA . 7125 1 1163 . 1 1 121 121 VAL CB C 13 32.079 0.083 . 1 . . . . 121 VAL CB . 7125 1 1164 . 1 1 121 121 VAL CG1 C 13 24.214 0.111 . 2 . . . . 121 VAL CG1 . 7125 1 1165 . 1 1 121 121 VAL CG2 C 13 21.618 0.129 . 2 . . . . 121 VAL CG2 . 7125 1 1166 . 1 1 121 121 VAL N N 15 119.866 0.056 . 1 . . . . 121 VAL N . 7125 1 1167 . 1 1 122 122 HIS H H 1 8.428 0.004 . 1 . . . . 122 HIS HN . 7125 1 1168 . 1 1 122 122 HIS HA H 1 3.667 0.023 . 1 . . . . 122 HIS HA . 7125 1 1169 . 1 1 122 122 HIS HB2 H 1 2.403 0.000 . 2 . . . . 122 HIS HB2 . 7125 1 1170 . 1 1 122 122 HIS HD2 H 1 6.935 0.000 . 1 . . . . 122 HIS HD2 . 7125 1 1171 . 1 1 122 122 HIS HE1 H 1 7.278 0.006 . 1 . . . . 122 HIS HE1 . 7125 1 1172 . 1 1 122 122 HIS CA C 13 57.845 0.026 . 1 . . . . 122 HIS CA . 7125 1 1173 . 1 1 122 122 HIS CE1 C 13 137.908 0.000 . 1 . . . . 122 HIS CE1 . 7125 1 1174 . 1 1 122 122 HIS N N 15 121.647 0.094 . 1 . . . . 122 HIS N . 7125 1 1175 . 1 1 123 123 ALA H H 1 7.971 0.005 . 1 . . . . 123 ALA HN . 7125 1 1176 . 1 1 123 123 ALA HA H 1 3.834 0.013 . 1 . . . . 123 ALA HA . 7125 1 1177 . 1 1 123 123 ALA HB1 H 1 1.331 0.013 . 1 . . . . 123 ALA HB# . 7125 1 1178 . 1 1 123 123 ALA HB2 H 1 1.331 0.013 . 1 . . . . 123 ALA HB# . 7125 1 1179 . 1 1 123 123 ALA HB3 H 1 1.331 0.013 . 1 . . . . 123 ALA HB# . 7125 1 1180 . 1 1 123 123 ALA CA C 13 55.996 0.087 . 1 . . . . 123 ALA CA . 7125 1 1181 . 1 1 123 123 ALA CB C 13 18.302 0.057 . 1 . . . . 123 ALA CB . 7125 1 1182 . 1 1 123 123 ALA N N 15 120.213 0.048 . 1 . . . . 123 ALA N . 7125 1 1183 . 1 1 124 124 SER H H 1 8.103 0.011 . 1 . . . . 124 SER HN . 7125 1 1184 . 1 1 124 124 SER HA H 1 4.195 0.000 . 1 . . . . 124 SER HA . 7125 1 1185 . 1 1 124 124 SER HB2 H 1 3.329 0.002 . 1 . . . . 124 SER HB2 . 7125 1 1186 . 1 1 124 124 SER CA C 13 63.236 0.021 . 1 . . . . 124 SER CA . 7125 1 1187 . 1 1 124 124 SER CB C 13 67.264 0.026 . 1 . . . . 124 SER CB . 7125 1 1188 . 1 1 124 124 SER N N 15 115.409 0.048 . 1 . . . . 124 SER N . 7125 1 1189 . 1 1 125 125 LEU H H 1 9.150 0.007 . 1 . . . . 125 LEU HN . 7125 1 1190 . 1 1 125 125 LEU HA H 1 4.186 0.005 . 1 . . . . 125 LEU HA . 7125 1 1191 . 1 1 125 125 LEU HB3 H 1 1.898 0.375 . 2 . . . . 125 LEU HB3 . 7125 1 1192 . 1 1 125 125 LEU HG H 1 1.817 0.008 . 1 . . . . 125 LEU HG . 7125 1 1193 . 1 1 125 125 LEU HD11 H 1 0.967 0.009 . 2 . . . . 125 LEU HD1 . 7125 1 1194 . 1 1 125 125 LEU HD12 H 1 0.967 0.009 . 2 . . . . 125 LEU HD1 . 7125 1 1195 . 1 1 125 125 LEU HD13 H 1 0.967 0.009 . 2 . . . . 125 LEU HD1 . 7125 1 1196 . 1 1 125 125 LEU HD21 H 1 0.889 0.007 . 2 . . . . 125 LEU HD2 . 7125 1 1197 . 1 1 125 125 LEU HD22 H 1 0.889 0.007 . 2 . . . . 125 LEU HD2 . 7125 1 1198 . 1 1 125 125 LEU HD23 H 1 0.889 0.007 . 2 . . . . 125 LEU HD2 . 7125 1 1199 . 1 1 125 125 LEU CA C 13 58.366 0.036 . 1 . . . . 125 LEU CA . 7125 1 1200 . 1 1 125 125 LEU CB C 13 43.134 0.063 . 1 . . . . 125 LEU CB . 7125 1 1201 . 1 1 125 125 LEU CG C 13 27.382 0.075 . 1 . . . . 125 LEU CG . 7125 1 1202 . 1 1 125 125 LEU CD1 C 13 23.113 0.159 . 2 . . . . 125 LEU CD1 . 7125 1 1203 . 1 1 125 125 LEU CD2 C 13 27.008 0.088 . 2 . . . . 125 LEU CD2 . 7125 1 1204 . 1 1 125 125 LEU N N 15 121.332 0.062 . 1 . . . . 125 LEU N . 7125 1 1205 . 1 1 126 126 ASP H H 1 8.648 0.012 . 1 . . . . 126 ASP HN . 7125 1 1206 . 1 1 126 126 ASP HA H 1 4.510 0.006 . 1 . . . . 126 ASP HA . 7125 1 1207 . 1 1 126 126 ASP HB2 H 1 2.663 0.012 . 2 . . . . 126 ASP HB2 . 7125 1 1208 . 1 1 126 126 ASP HB3 H 1 2.841 0.000 . 2 . . . . 126 ASP HB3 . 7125 1 1209 . 1 1 126 126 ASP CA C 13 59.102 0.117 . 1 . . . . 126 ASP CA . 7125 1 1210 . 1 1 126 126 ASP CB C 13 43.415 0.000 . 1 . . . . 126 ASP CB . 7125 1 1211 . 1 1 126 126 ASP N N 15 120.637 0.042 . 1 . . . . 126 ASP N . 7125 1 1212 . 1 1 127 127 LYS H H 1 7.955 0.009 . 1 . . . . 127 LYS HN . 7125 1 1213 . 1 1 127 127 LYS HA H 1 4.140 0.019 . 1 . . . . 127 LYS HA . 7125 1 1214 . 1 1 127 127 LYS HB2 H 1 1.914 0.021 . 2 . . . . 127 LYS HB2 . 7125 1 1215 . 1 1 127 127 LYS HG2 H 1 1.971 0.016 . 2 . . . . 127 LYS HG2 . 7125 1 1216 . 1 1 127 127 LYS HG3 H 1 1.536 0.001 . 2 . . . . 127 LYS HG3 . 7125 1 1217 . 1 1 127 127 LYS HD2 H 1 0.871 0.006 . 2 . . . . 127 LYS HD2 . 7125 1 1218 . 1 1 127 127 LYS HE2 H 1 3.015 0.009 . 2 . . . . 127 LYS HE2 . 7125 1 1219 . 1 1 127 127 LYS CA C 13 59.974 0.080 . 1 . . . . 127 LYS CA . 7125 1 1220 . 1 1 127 127 LYS CB C 13 32.748 0.035 . 1 . . . . 127 LYS CB . 7125 1 1221 . 1 1 127 127 LYS CG C 13 25.449 0.128 . 1 . . . . 127 LYS CG . 7125 1 1222 . 1 1 127 127 LYS CD C 13 24.296 0.038 . 1 . . . . 127 LYS CD . 7125 1 1223 . 1 1 127 127 LYS CE C 13 42.570 0.037 . 1 . . . . 127 LYS CE . 7125 1 1224 . 1 1 127 127 LYS N N 15 118.245 0.051 . 1 . . . . 127 LYS N . 7125 1 1225 . 1 1 128 128 PHE H H 1 8.892 0.007 . 1 . . . . 128 PHE HN . 7125 1 1226 . 1 1 128 128 PHE HA H 1 4.235 0.021 . 1 . . . . 128 PHE HA . 7125 1 1227 . 1 1 128 128 PHE HB2 H 1 3.332 0.000 . 2 . . . . 128 PHE HB2 . 7125 1 1228 . 1 1 128 128 PHE HD1 H 1 6.971 0.007 . 3 . . . . 128 PHE HD1 . 7125 1 1229 . 1 1 128 128 PHE HE1 H 1 6.339 0.000 . 3 . . . . 128 PHE HE1 . 7125 1 1230 . 1 1 128 128 PHE CA C 13 61.584 0.110 . 1 . . . . 128 PHE CA . 7125 1 1231 . 1 1 128 128 PHE CB C 13 40.415 0.000 . 1 . . . . 128 PHE CB . 7125 1 1232 . 1 1 128 128 PHE CD1 C 13 131.326 0.054 . 1 . . . . 128 PHE CD1 . 7125 1 1233 . 1 1 128 128 PHE N N 15 122.132 0.030 . 1 . . . . 128 PHE N . 7125 1 1234 . 1 1 129 129 LEU H H 1 8.983 0.007 . 1 . . . . 129 LEU HN . 7125 1 1235 . 1 1 129 129 LEU HA H 1 3.762 0.014 . 1 . . . . 129 LEU HA . 7125 1 1236 . 1 1 129 129 LEU HG H 1 2.162 0.006 . 1 . . . . 129 LEU HG . 7125 1 1237 . 1 1 129 129 LEU HD11 H 1 0.933 0.017 . 2 . . . . 129 LEU HD1 . 7125 1 1238 . 1 1 129 129 LEU HD12 H 1 0.933 0.017 . 2 . . . . 129 LEU HD1 . 7125 1 1239 . 1 1 129 129 LEU HD13 H 1 0.933 0.017 . 2 . . . . 129 LEU HD1 . 7125 1 1240 . 1 1 129 129 LEU HD21 H 1 1.154 0.015 . 2 . . . . 129 LEU HD2 . 7125 1 1241 . 1 1 129 129 LEU HD22 H 1 1.154 0.015 . 2 . . . . 129 LEU HD2 . 7125 1 1242 . 1 1 129 129 LEU HD23 H 1 1.154 0.015 . 2 . . . . 129 LEU HD2 . 7125 1 1243 . 1 1 129 129 LEU CA C 13 58.328 0.116 . 1 . . . . 129 LEU CA . 7125 1 1244 . 1 1 129 129 LEU CG C 13 28.249 0.125 . 1 . . . . 129 LEU CG . 7125 1 1245 . 1 1 129 129 LEU CD1 C 13 22.994 0.103 . 2 . . . . 129 LEU CD1 . 7125 1 1246 . 1 1 129 129 LEU CD2 C 13 26.852 0.124 . 2 . . . . 129 LEU CD2 . 7125 1 1247 . 1 1 129 129 LEU N N 15 120.943 0.079 . 1 . . . . 129 LEU N . 7125 1 1248 . 1 1 130 130 ALA H H 1 8.558 0.017 . 1 . . . . 130 ALA HN . 7125 1 1249 . 1 1 130 130 ALA HA H 1 4.279 0.029 . 1 . . . . 130 ALA HA . 7125 1 1250 . 1 1 130 130 ALA HB1 H 1 1.618 0.009 . 1 . . . . 130 ALA HB# . 7125 1 1251 . 1 1 130 130 ALA HB2 H 1 1.618 0.009 . 1 . . . . 130 ALA HB# . 7125 1 1252 . 1 1 130 130 ALA HB3 H 1 1.618 0.009 . 1 . . . . 130 ALA HB# . 7125 1 1253 . 1 1 130 130 ALA CA C 13 55.652 0.086 . 1 . . . . 130 ALA CA . 7125 1 1254 . 1 1 130 130 ALA CB C 13 17.946 0.087 . 1 . . . . 130 ALA CB . 7125 1 1255 . 1 1 130 130 ALA N N 15 125.565 0.053 . 1 . . . . 130 ALA N . 7125 1 1256 . 1 1 131 131 SER H H 1 8.194 0.002 . 1 . . . . 131 SER HN . 7125 1 1257 . 1 1 131 131 SER HA H 1 4.124 0.017 . 1 . . . . 131 SER HA . 7125 1 1258 . 1 1 131 131 SER HB2 H 1 4.085 0.010 . 1 . . . . 131 SER HB2 . 7125 1 1259 . 1 1 131 131 SER HB3 H 1 3.868 0.023 . 1 . . . . 131 SER HB3 . 7125 1 1260 . 1 1 131 131 SER CA C 13 62.989 0.102 . 1 . . . . 131 SER CA . 7125 1 1261 . 1 1 131 131 SER CB C 13 62.899 0.232 . 1 . . . . 131 SER CB . 7125 1 1262 . 1 1 131 131 SER N N 15 118.251 0.072 . 1 . . . . 131 SER N . 7125 1 1263 . 1 1 132 132 VAL H H 1 8.224 0.005 . 1 . . . . 132 VAL HN . 7125 1 1264 . 1 1 132 132 VAL HA H 1 3.230 0.005 . 1 . . . . 132 VAL HA . 7125 1 1265 . 1 1 132 132 VAL HB H 1 1.944 0.006 . 1 . . . . 132 VAL HB . 7125 1 1266 . 1 1 132 132 VAL HG11 H 1 0.351 0.005 . 2 . . . . 132 VAL HG1# . 7125 1 1267 . 1 1 132 132 VAL HG12 H 1 0.351 0.005 . 2 . . . . 132 VAL HG1# . 7125 1 1268 . 1 1 132 132 VAL HG13 H 1 0.351 0.005 . 2 . . . . 132 VAL HG1# . 7125 1 1269 . 1 1 132 132 VAL HG21 H 1 0.847 0.007 . 2 . . . . 132 VAL HG2# . 7125 1 1270 . 1 1 132 132 VAL HG22 H 1 0.847 0.007 . 2 . . . . 132 VAL HG2# . 7125 1 1271 . 1 1 132 132 VAL HG23 H 1 0.847 0.007 . 2 . . . . 132 VAL HG2# . 7125 1 1272 . 1 1 132 132 VAL CA C 13 66.975 0.105 . 1 . . . . 132 VAL CA . 7125 1 1273 . 1 1 132 132 VAL CB C 13 32.309 0.073 . 1 . . . . 132 VAL CB . 7125 1 1274 . 1 1 132 132 VAL CG1 C 13 23.265 0.089 . 2 . . . . 132 VAL CG1 . 7125 1 1275 . 1 1 132 132 VAL CG2 C 13 22.183 0.079 . 2 . . . . 132 VAL CG2 . 7125 1 1276 . 1 1 132 132 VAL N N 15 122.863 0.093 . 1 . . . . 132 VAL N . 7125 1 1277 . 1 1 133 133 SER H H 1 8.200 0.009 . 1 . . . . 133 SER HN . 7125 1 1278 . 1 1 133 133 SER HA H 1 3.602 0.008 . 1 . . . . 133 SER HA . 7125 1 1279 . 1 1 133 133 SER CA C 13 63.368 0.063 . 1 . . . . 133 SER CA . 7125 1 1280 . 1 1 133 133 SER N N 15 115.171 0.115 . 1 . . . . 133 SER N . 7125 1 1281 . 1 1 134 134 THR H H 1 8.108 0.013 . 1 . . . . 134 THR HN . 7125 1 1282 . 1 1 134 134 THR HA H 1 3.484 0.021 . 1 . . . . 134 THR HA . 7125 1 1283 . 1 1 134 134 THR HB H 1 4.173 0.006 . 1 . . . . 134 THR HB . 7125 1 1284 . 1 1 134 134 THR HG21 H 1 1.046 0.009 . 1 . . . . 134 THR HG2# . 7125 1 1285 . 1 1 134 134 THR HG22 H 1 1.046 0.009 . 1 . . . . 134 THR HG2# . 7125 1 1286 . 1 1 134 134 THR HG23 H 1 1.046 0.009 . 1 . . . . 134 THR HG2# . 7125 1 1287 . 1 1 134 134 THR CA C 13 66.851 0.031 . 1 . . . . 134 THR CA . 7125 1 1288 . 1 1 134 134 THR CB C 13 68.701 0.036 . 1 . . . . 134 THR CB . 7125 1 1289 . 1 1 134 134 THR CG2 C 13 21.747 0.052 . 1 . . . . 134 THR CG2 . 7125 1 1290 . 1 1 134 134 THR N N 15 119.594 0.070 . 1 . . . . 134 THR N . 7125 1 1291 . 1 1 135 135 VAL H H 1 7.432 0.012 . 1 . . . . 135 VAL HN . 7125 1 1292 . 1 1 135 135 VAL HA H 1 3.379 0.012 . 1 . . . . 135 VAL HA . 7125 1 1293 . 1 1 135 135 VAL HB H 1 2.014 0.006 . 1 . . . . 135 VAL HB . 7125 1 1294 . 1 1 135 135 VAL HG11 H 1 0.753 0.000 . 2 . . . . 135 VAL HG1# . 7125 1 1295 . 1 1 135 135 VAL HG12 H 1 0.753 0.000 . 2 . . . . 135 VAL HG1# . 7125 1 1296 . 1 1 135 135 VAL HG13 H 1 0.753 0.000 . 2 . . . . 135 VAL HG1# . 7125 1 1297 . 1 1 135 135 VAL HG21 H 1 0.786 0.006 . 2 . . . . 135 VAL HG2# . 7125 1 1298 . 1 1 135 135 VAL HG22 H 1 0.786 0.006 . 2 . . . . 135 VAL HG2# . 7125 1 1299 . 1 1 135 135 VAL HG23 H 1 0.786 0.006 . 2 . . . . 135 VAL HG2# . 7125 1 1300 . 1 1 135 135 VAL CA C 13 67.138 0.079 . 1 . . . . 135 VAL CA . 7125 1 1301 . 1 1 135 135 VAL CB C 13 31.099 0.050 . 1 . . . . 135 VAL CB . 7125 1 1302 . 1 1 135 135 VAL CG1 C 13 24.208 0.000 . 2 . . . . 135 VAL CG1 . 7125 1 1303 . 1 1 135 135 VAL CG2 C 13 23.453 0.129 . 2 . . . . 135 VAL CG2 . 7125 1 1304 . 1 1 135 135 VAL N N 15 122.485 0.050 . 1 . . . . 135 VAL N . 7125 1 1305 . 1 1 136 136 LEU H H 1 7.681 0.001 . 1 . . . . 136 LEU HN . 7125 1 1306 . 1 1 136 136 LEU HD11 H 1 0.011 0.006 . 2 . . . . 136 LEU HD1 . 7125 1 1307 . 1 1 136 136 LEU HD12 H 1 0.011 0.006 . 2 . . . . 136 LEU HD1 . 7125 1 1308 . 1 1 136 136 LEU HD13 H 1 0.011 0.006 . 2 . . . . 136 LEU HD1 . 7125 1 1309 . 1 1 136 136 LEU HD21 H 1 -0.542 0.010 . 2 . . . . 136 LEU HD2 . 7125 1 1310 . 1 1 136 136 LEU HD22 H 1 -0.542 0.010 . 2 . . . . 136 LEU HD2 . 7125 1 1311 . 1 1 136 136 LEU HD23 H 1 -0.542 0.010 . 2 . . . . 136 LEU HD2 . 7125 1 1312 . 1 1 136 136 LEU CD1 C 13 25.329 0.029 . 2 . . . . 136 LEU CD1 . 7125 1 1313 . 1 1 136 136 LEU CD2 C 13 23.749 0.117 . 2 . . . . 136 LEU CD2 . 7125 1 1314 . 1 1 136 136 LEU N N 15 109.527 0.077 . 1 . . . . 136 LEU N . 7125 1 1315 . 1 1 137 137 THR H H 1 6.703 0.020 . 1 . . . . 137 THR HN . 7125 1 1316 . 1 1 137 137 THR HA H 1 3.951 0.020 . 1 . . . . 137 THR HA . 7125 1 1317 . 1 1 137 137 THR HB H 1 4.228 0.000 . 1 . . . . 137 THR HB . 7125 1 1318 . 1 1 137 137 THR HG21 H 1 0.357 0.010 . 1 . . . . 137 THR HG2# . 7125 1 1319 . 1 1 137 137 THR HG22 H 1 0.357 0.010 . 1 . . . . 137 THR HG2# . 7125 1 1320 . 1 1 137 137 THR HG23 H 1 0.357 0.010 . 1 . . . . 137 THR HG2# . 7125 1 1321 . 1 1 137 137 THR CA C 13 60.520 0.147 . 1 . . . . 137 THR CA . 7125 1 1322 . 1 1 137 137 THR CB C 13 69.917 0.000 . 1 . . . . 137 THR CB . 7125 1 1323 . 1 1 137 137 THR CG2 C 13 22.835 0.057 . 1 . . . . 137 THR CG2 . 7125 1 1324 . 1 1 137 137 THR N N 15 101.553 0.222 . 1 . . . . 137 THR N . 7125 1 1325 . 1 1 138 138 SER H H 1 7.182 0.011 . 1 . . . . 138 SER HN . 7125 1 1326 . 1 1 138 138 SER HA H 1 4.500 0.018 . 1 . . . . 138 SER HA . 7125 1 1327 . 1 1 138 138 SER HB2 H 1 3.905 0.000 . 2 . . . . 138 SER HB2 . 7125 1 1328 . 1 1 138 138 SER CA C 13 59.305 0.024 . 1 . . . . 138 SER CA . 7125 1 1329 . 1 1 138 138 SER CB C 13 65.125 0.000 . 1 . . . . 138 SER CB . 7125 1 1330 . 1 1 138 138 SER N N 15 117.966 0.041 . 1 . . . . 138 SER N . 7125 1 1331 . 1 1 141 141 ARG H H 1 7.341 0.033 . 1 . . . . 141 ARG HN . 7125 1 1332 . 1 1 141 141 ARG HA H 1 4.140 0.011 . 1 . . . . 141 ARG HA . 7125 1 1333 . 1 1 141 141 ARG HB2 H 1 1.728 0.048 . 2 . . . . 141 ARG HB2 . 7125 1 1334 . 1 1 141 141 ARG HB3 H 1 1.595 0.009 . 2 . . . . 141 ARG HB3 . 7125 1 1335 . 1 1 141 141 ARG HG2 H 1 1.424 0.006 . 2 . . . . 141 ARG HG2 . 7125 1 1336 . 1 1 141 141 ARG HD2 H 1 3.046 0.016 . 2 . . . . 141 ARG HD2 . 7125 1 1337 . 1 1 141 141 ARG CA C 13 57.644 0.062 . 1 . . . . 141 ARG CA . 7125 1 1338 . 1 1 141 141 ARG CB C 13 32.002 0.077 . 1 . . . . 141 ARG CB . 7125 1 1339 . 1 1 141 141 ARG CG C 13 27.298 0.064 . 1 . . . . 141 ARG CG . 7125 1 1340 . 1 1 141 141 ARG CD C 13 43.784 0.055 . 1 . . . . 141 ARG CD . 7125 1 1341 . 1 1 141 141 ARG N N 15 125.253 0.122 . 1 . . . . 141 ARG N . 7125 1 1342 . 3 2 1 1 VAL HG11 H 1 0.986 0.000 . 2 . . . . 1 VAL HG1 . 7125 1 1343 . 3 2 1 1 VAL HG12 H 1 0.986 0.000 . 2 . . . . 1 VAL HG1 . 7125 1 1344 . 3 2 1 1 VAL HG13 H 1 0.986 0.000 . 2 . . . . 1 VAL HG1 . 7125 1 1345 . 3 2 1 1 VAL HG21 H 1 0.863 0.000 . 2 . . . . 1 VAL HG2 . 7125 1 1346 . 3 2 1 1 VAL HG22 H 1 0.863 0.000 . 2 . . . . 1 VAL HG2 . 7125 1 1347 . 3 2 1 1 VAL HG23 H 1 0.863 0.000 . 2 . . . . 1 VAL HG2 . 7125 1 1348 . 3 2 1 1 VAL CG1 C 13 21.730 0.000 . 2 . . . . 1 VAL CG1 . 7125 1 1349 . 3 2 1 1 VAL CG2 C 13 21.506 0.000 . 2 . . . . 1 VAL CG2 . 7125 1 1350 . 3 2 2 2 HIS HA H 1 4.723 0.000 . 1 . . . . 2 HIS HA . 7125 1 1351 . 3 2 2 2 HIS HB2 H 1 3.005 0.000 . 2 . . . . 2 HIS HB2 . 7125 1 1352 . 3 2 2 2 HIS HB3 H 1 2.979 0.000 . 2 . . . . 2 HIS HB3 . 7125 1 1353 . 3 2 2 2 HIS HE1 H 1 8.034 0.000 . 1 . . . . 2 HIS HE1 . 7125 1 1354 . 3 2 2 2 HIS CA C 13 55.795 0.000 . 1 . . . . 2 HIS CA . 7125 1 1355 . 3 2 2 2 HIS CB C 13 31.044 0.000 . 1 . . . . 2 HIS CB . 7125 1 1356 . 3 2 2 2 HIS CE1 C 13 137.545 0.000 . 1 . . . . 2 HIS CE1 . 7125 1 1357 . 3 2 3 3 LEU H H 1 8.138 0.011 . 1 . . . . 3 LEU HN . 7125 1 1358 . 3 2 3 3 LEU HA H 1 4.736 0.013 . 1 . . . . 3 LEU HA . 7125 1 1359 . 3 2 3 3 LEU HB2 H 1 1.454 0.013 . 2 . . . . 3 LEU HB2 . 7125 1 1360 . 3 2 3 3 LEU HG H 1 1.509 0.000 . 1 . . . . 3 LEU HG . 7125 1 1361 . 3 2 3 3 LEU HD11 H 1 0.585 0.005 . 2 . . . . 3 LEU HD1 . 7125 1 1362 . 3 2 3 3 LEU HD12 H 1 0.585 0.005 . 2 . . . . 3 LEU HD1 . 7125 1 1363 . 3 2 3 3 LEU HD13 H 1 0.585 0.005 . 2 . . . . 3 LEU HD1 . 7125 1 1364 . 3 2 3 3 LEU HD21 H 1 0.718 0.018 . 2 . . . . 3 LEU HD2 . 7125 1 1365 . 3 2 3 3 LEU HD22 H 1 0.718 0.018 . 2 . . . . 3 LEU HD2 . 7125 1 1366 . 3 2 3 3 LEU HD23 H 1 0.718 0.018 . 2 . . . . 3 LEU HD2 . 7125 1 1367 . 3 2 3 3 LEU CA C 13 53.504 0.000 . 1 . . . . 3 LEU CA . 7125 1 1368 . 3 2 3 3 LEU CB C 13 44.072 0.023 . 1 . . . . 3 LEU CB . 7125 1 1369 . 3 2 3 3 LEU CG C 13 27.728 0.000 . 1 . . . . 3 LEU CG . 7125 1 1370 . 3 2 3 3 LEU CD1 C 13 26.049 0.102 . 2 . . . . 3 LEU CD1 . 7125 1 1371 . 3 2 3 3 LEU CD2 C 13 24.153 0.099 . 2 . . . . 3 LEU CD2 . 7125 1 1372 . 3 2 3 3 LEU N N 15 126.048 0.066 . 1 . . . . 3 LEU N . 7125 1 1373 . 3 2 4 4 THR H H 1 9.219 0.012 . 1 . . . . 4 THR HN . 7125 1 1374 . 3 2 4 4 THR HA H 1 4.480 0.000 . 1 . . . . 4 THR HA . 7125 1 1375 . 3 2 4 4 THR HB H 1 4.736 0.000 . 1 . . . . 4 THR HB . 7125 1 1376 . 3 2 4 4 THR HG21 H 1 1.328 0.012 . 1 . . . . 4 THR HG2# . 7125 1 1377 . 3 2 4 4 THR HG22 H 1 1.328 0.012 . 1 . . . . 4 THR HG2# . 7125 1 1378 . 3 2 4 4 THR HG23 H 1 1.328 0.012 . 1 . . . . 4 THR HG2# . 7125 1 1379 . 3 2 4 4 THR CA C 13 60.800 0.000 . 1 . . . . 4 THR CA . 7125 1 1380 . 3 2 4 4 THR CB C 13 67.838 0.000 . 1 . . . . 4 THR CB . 7125 1 1381 . 3 2 4 4 THR CG2 C 13 22.007 0.022 . 1 . . . . 4 THR CG2 . 7125 1 1382 . 3 2 4 4 THR N N 15 115.319 0.038 . 1 . . . . 4 THR N . 7125 1 1383 . 3 2 5 5 PRO HA H 1 4.147 0.018 . 1 . . . . 5 PRO HA . 7125 1 1384 . 3 2 5 5 PRO HB2 H 1 2.413 0.000 . 2 . . . . 5 PRO HB2 . 7125 1 1385 . 3 2 5 5 PRO HB3 H 1 1.858 0.000 . 2 . . . . 5 PRO HB3 . 7125 1 1386 . 3 2 5 5 PRO HD2 H 1 3.910 0.000 . 2 . . . . 5 PRO HD2 . 7125 1 1387 . 3 2 5 5 PRO CA C 13 66.420 0.086 . 1 . . . . 5 PRO CA . 7125 1 1388 . 3 2 5 5 PRO CB C 13 31.667 0.026 . 1 . . . . 5 PRO CB . 7125 1 1389 . 3 2 5 5 PRO CD C 13 50.109 0.000 . 1 . . . . 5 PRO CD . 7125 1 1390 . 3 2 6 6 GLU H H 1 8.719 0.010 . 1 . . . . 6 GLU HN . 7125 1 1391 . 3 2 6 6 GLU HA H 1 4.009 0.012 . 1 . . . . 6 GLU HA . 7125 1 1392 . 3 2 6 6 GLU HB2 H 1 1.935 0.003 . 2 . . . . 6 GLU HB2 . 7125 1 1393 . 3 2 6 6 GLU HB3 H 1 1.858 0.000 . 2 . . . . 6 GLU HB3 . 7125 1 1394 . 3 2 6 6 GLU HG2 H 1 2.366 0.000 . 2 . . . . 6 GLU HG2 . 7125 1 1395 . 3 2 6 6 GLU HG3 H 1 2.234 0.021 . 2 . . . . 6 GLU HG3 . 7125 1 1396 . 3 2 6 6 GLU CA C 13 60.212 0.076 . 1 . . . . 6 GLU CA . 7125 1 1397 . 3 2 6 6 GLU CB C 13 28.934 0.025 . 1 . . . . 6 GLU CB . 7125 1 1398 . 3 2 6 6 GLU CG C 13 36.919 0.093 . 1 . . . . 6 GLU CG . 7125 1 1399 . 3 2 6 6 GLU N N 15 117.569 0.057 . 1 . . . . 6 GLU N . 7125 1 1400 . 3 2 7 7 GLU H H 1 7.769 0.011 . 1 . . . . 7 GLU HN . 7125 1 1401 . 3 2 7 7 GLU HA H 1 3.855 0.021 . 1 . . . . 7 GLU HA . 7125 1 1402 . 3 2 7 7 GLU HB2 H 1 2.437 0.009 . 2 . . . . 7 GLU HB2 . 7125 1 1403 . 3 2 7 7 GLU HB3 H 1 1.652 0.000 . 2 . . . . 7 GLU HB3 . 7125 1 1404 . 3 2 7 7 GLU HG2 H 1 2.033 0.000 . 2 . . . . 7 GLU HG2 . 7125 1 1405 . 3 2 7 7 GLU CA C 13 59.209 0.074 . 1 . . . . 7 GLU CA . 7125 1 1406 . 3 2 7 7 GLU CB C 13 31.662 0.097 . 1 . . . . 7 GLU CB . 7125 1 1407 . 3 2 7 7 GLU CG C 13 37.584 0.000 . 1 . . . . 7 GLU CG . 7125 1 1408 . 3 2 7 7 GLU N N 15 121.612 0.095 . 1 . . . . 7 GLU N . 7125 1 1409 . 3 2 8 8 LYS H H 1 8.798 0.007 . 1 . . . . 8 LYS HN . 7125 1 1410 . 3 2 8 8 LYS HA H 1 3.587 0.017 . 1 . . . . 8 LYS HA . 7125 1 1411 . 3 2 8 8 LYS HB2 H 1 1.821 0.004 . 2 . . . . 8 LYS HB2 . 7125 1 1412 . 3 2 8 8 LYS HG2 H 1 1.276 0.002 . 2 . . . . 8 LYS HG2 . 7125 1 1413 . 3 2 8 8 LYS HD2 H 1 1.566 0.020 . 2 . . . . 8 LYS HD2 . 7125 1 1414 . 3 2 8 8 LYS HE2 H 1 2.867 0.000 . 2 . . . . 8 LYS HE2 . 7125 1 1415 . 3 2 8 8 LYS CA C 13 60.299 0.083 . 1 . . . . 8 LYS CA . 7125 1 1416 . 3 2 8 8 LYS CB C 13 32.169 0.033 . 1 . . . . 8 LYS CB . 7125 1 1417 . 3 2 8 8 LYS CG C 13 25.876 0.009 . 1 . . . . 8 LYS CG . 7125 1 1418 . 3 2 8 8 LYS CD C 13 29.504 0.005 . 1 . . . . 8 LYS CD . 7125 1 1419 . 3 2 8 8 LYS CE C 13 42.092 0.000 . 1 . . . . 8 LYS CE . 7125 1 1420 . 3 2 8 8 LYS N N 15 119.141 0.039 . 1 . . . . 8 LYS N . 7125 1 1421 . 3 2 9 9 SER H H 1 8.186 0.006 . 1 . . . . 9 SER HN . 7125 1 1422 . 3 2 9 9 SER HA H 1 4.105 0.006 . 1 . . . . 9 SER HA . 7125 1 1423 . 3 2 9 9 SER HB2 H 1 3.907 0.006 . 2 . . . . 9 SER HB2 . 7125 1 1424 . 3 2 9 9 SER CA C 13 61.599 0.142 . 1 . . . . 9 SER CA . 7125 1 1425 . 3 2 9 9 SER CB C 13 62.734 0.086 . 1 . . . . 9 SER CB . 7125 1 1426 . 3 2 9 9 SER N N 15 115.088 0.058 . 1 . . . . 9 SER N . 7125 1 1427 . 3 2 10 10 ALA H H 1 7.651 0.006 . 1 . . . . 10 ALA HN . 7125 1 1428 . 3 2 10 10 ALA HA H 1 4.168 0.005 . 1 . . . . 10 ALA HA . 7125 1 1429 . 3 2 10 10 ALA HB1 H 1 1.450 0.004 . 1 . . . . 10 ALA HB# . 7125 1 1430 . 3 2 10 10 ALA HB2 H 1 1.450 0.004 . 1 . . . . 10 ALA HB# . 7125 1 1431 . 3 2 10 10 ALA HB3 H 1 1.450 0.004 . 1 . . . . 10 ALA HB# . 7125 1 1432 . 3 2 10 10 ALA CA C 13 55.166 0.026 . 1 . . . . 10 ALA CA . 7125 1 1433 . 3 2 10 10 ALA CB C 13 18.547 0.011 . 1 . . . . 10 ALA CB . 7125 1 1434 . 3 2 10 10 ALA N N 15 123.919 0.090 . 1 . . . . 10 ALA N . 7125 1 1435 . 3 2 11 11 VAL H H 1 8.404 0.008 . 1 . . . . 11 VAL HN . 7125 1 1436 . 3 2 11 11 VAL HA H 1 3.811 0.069 . 1 . . . . 11 VAL HA . 7125 1 1437 . 3 2 11 11 VAL HB H 1 1.917 0.012 . 1 . . . . 11 VAL HB . 7125 1 1438 . 3 2 11 11 VAL HG11 H 1 0.492 0.014 . 2 . . . . 11 VAL HG1# . 7125 1 1439 . 3 2 11 11 VAL HG12 H 1 0.492 0.014 . 2 . . . . 11 VAL HG1# . 7125 1 1440 . 3 2 11 11 VAL HG13 H 1 0.492 0.014 . 2 . . . . 11 VAL HG1# . 7125 1 1441 . 3 2 11 11 VAL HG21 H 1 0.425 0.024 . 2 . . . . 11 VAL HG2# . 7125 1 1442 . 3 2 11 11 VAL HG22 H 1 0.425 0.024 . 2 . . . . 11 VAL HG2# . 7125 1 1443 . 3 2 11 11 VAL HG23 H 1 0.425 0.024 . 2 . . . . 11 VAL HG2# . 7125 1 1444 . 3 2 11 11 VAL CA C 13 66.119 0.079 . 1 . . . . 11 VAL CA . 7125 1 1445 . 3 2 11 11 VAL CB C 13 31.829 0.029 . 1 . . . . 11 VAL CB . 7125 1 1446 . 3 2 11 11 VAL CG1 C 13 22.887 0.045 . 2 . . . . 11 VAL CG1 . 7125 1 1447 . 3 2 11 11 VAL CG2 C 13 21.140 0.023 . 2 . . . . 11 VAL CG2 . 7125 1 1448 . 3 2 11 11 VAL N N 15 115.746 0.069 . 1 . . . . 11 VAL N . 7125 1 1449 . 3 2 12 12 THR H H 1 8.403 0.008 . 1 . . . . 12 THR HN . 7125 1 1450 . 3 2 12 12 THR HA H 1 3.923 0.006 . 1 . . . . 12 THR HA . 7125 1 1451 . 3 2 12 12 THR HB H 1 4.272 0.000 . 1 . . . . 12 THR HB . 7125 1 1452 . 3 2 12 12 THR HG21 H 1 1.251 0.018 . 1 . . . . 12 THR HG2# . 7125 1 1453 . 3 2 12 12 THR HG22 H 1 1.251 0.018 . 1 . . . . 12 THR HG2# . 7125 1 1454 . 3 2 12 12 THR HG23 H 1 1.251 0.018 . 1 . . . . 12 THR HG2# . 7125 1 1455 . 3 2 12 12 THR CA C 13 66.429 0.119 . 1 . . . . 12 THR CA . 7125 1 1456 . 3 2 12 12 THR CB C 13 68.906 0.012 . 1 . . . . 12 THR CB . 7125 1 1457 . 3 2 12 12 THR CG2 C 13 21.751 0.045 . 1 . . . . 12 THR CG2 . 7125 1 1458 . 3 2 12 12 THR N N 15 115.532 0.049 . 1 . . . . 12 THR N . 7125 1 1459 . 3 2 13 13 ALA H H 1 8.264 0.014 . 1 . . . . 13 ALA HN . 7125 1 1460 . 3 2 13 13 ALA HA H 1 4.162 0.015 . 1 . . . . 13 ALA HA . 7125 1 1461 . 3 2 13 13 ALA HB1 H 1 1.474 0.016 . 1 . . . . 13 ALA HB# . 7125 1 1462 . 3 2 13 13 ALA HB2 H 1 1.474 0.016 . 1 . . . . 13 ALA HB# . 7125 1 1463 . 3 2 13 13 ALA HB3 H 1 1.474 0.016 . 1 . . . . 13 ALA HB# . 7125 1 1464 . 3 2 13 13 ALA CA C 13 55.321 0.000 . 1 . . . . 13 ALA CA . 7125 1 1465 . 3 2 13 13 ALA CB C 13 18.234 0.059 . 1 . . . . 13 ALA CB . 7125 1 1466 . 3 2 13 13 ALA N N 15 125.746 0.084 . 1 . . . . 13 ALA N . 7125 1 1467 . 3 2 14 14 LEU H H 1 7.232 0.012 . 1 . . . . 14 LEU HN . 7125 1 1468 . 3 2 14 14 LEU HA H 1 3.839 0.019 . 1 . . . . 14 LEU HA . 7125 1 1469 . 3 2 14 14 LEU HB2 H 1 1.669 0.025 . 2 . . . . 14 LEU HB2 . 7125 1 1470 . 3 2 14 14 LEU HG H 1 1.100 0.000 . 1 . . . . 14 LEU HG . 7125 1 1471 . 3 2 14 14 LEU HD11 H 1 0.473 0.010 . 2 . . . . 14 LEU HD1 . 7125 1 1472 . 3 2 14 14 LEU HD12 H 1 0.473 0.010 . 2 . . . . 14 LEU HD1 . 7125 1 1473 . 3 2 14 14 LEU HD13 H 1 0.473 0.010 . 2 . . . . 14 LEU HD1 . 7125 1 1474 . 3 2 14 14 LEU HD21 H 1 0.415 0.016 . 2 . . . . 14 LEU HD2 . 7125 1 1475 . 3 2 14 14 LEU HD22 H 1 0.415 0.016 . 2 . . . . 14 LEU HD2 . 7125 1 1476 . 3 2 14 14 LEU HD23 H 1 0.415 0.016 . 2 . . . . 14 LEU HD2 . 7125 1 1477 . 3 2 14 14 LEU CA C 13 57.955 0.064 . 1 . . . . 14 LEU CA . 7125 1 1478 . 3 2 14 14 LEU CB C 13 41.704 0.053 . 1 . . . . 14 LEU CB . 7125 1 1479 . 3 2 14 14 LEU CG C 13 27.246 0.000 . 1 . . . . 14 LEU CG . 7125 1 1480 . 3 2 14 14 LEU CD1 C 13 25.148 0.052 . 2 . . . . 14 LEU CD1 . 7125 1 1481 . 3 2 14 14 LEU CD2 C 13 25.022 0.070 . 2 . . . . 14 LEU CD2 . 7125 1 1482 . 3 2 14 14 LEU N N 15 117.083 0.049 . 1 . . . . 14 LEU N . 7125 1 1483 . 3 2 15 15 TRP H H 1 8.159 0.008 . 1 . . . . 15 TRP HN . 7125 1 1484 . 3 2 15 15 TRP HA H 1 4.259 0.015 . 1 . . . . 15 TRP HA . 7125 1 1485 . 3 2 15 15 TRP HB2 H 1 3.631 0.009 . 2 . . . . 15 TRP HB2 . 7125 1 1486 . 3 2 15 15 TRP HB3 H 1 3.147 0.004 . 2 . . . . 15 TRP HB3 . 7125 1 1487 . 3 2 15 15 TRP HD1 H 1 7.108 0.001 . 1 . . . . 15 TRP HD1 . 7125 1 1488 . 3 2 15 15 TRP HE1 H 1 10.118 0.006 . 1 . . . . 15 TRP HE1 . 7125 1 1489 . 3 2 15 15 TRP HZ2 H 1 7.539 0.007 . 1 . . . . 15 TRP HZ2 . 7125 1 1490 . 3 2 15 15 TRP HZ3 H 1 8.042 0.002 . 1 . . . . 15 TRP HZ3 . 7125 1 1491 . 3 2 15 15 TRP HH2 H 1 6.815 0.010 . 1 . . . . 15 TRP HH2 . 7125 1 1492 . 3 2 15 15 TRP CA C 13 60.098 0.036 . 1 . . . . 15 TRP CA . 7125 1 1493 . 3 2 15 15 TRP CB C 13 29.496 0.096 . 1 . . . . 15 TRP CB . 7125 1 1494 . 3 2 15 15 TRP CD1 C 13 126.845 0.012 . 1 . . . . 15 TRP CD1 . 7125 1 1495 . 3 2 15 15 TRP CZ2 C 13 113.650 0.059 . 1 . . . . 15 TRP CZ2 . 7125 1 1496 . 3 2 15 15 TRP CZ3 C 13 121.740 0.053 . 1 . . . . 15 TRP CZ3 . 7125 1 1497 . 3 2 15 15 TRP CH2 C 13 123.382 0.059 . 1 . . . . 15 TRP CH2 . 7125 1 1498 . 3 2 15 15 TRP N N 15 119.157 0.058 . 1 . . . . 15 TRP N . 7125 1 1499 . 3 2 15 15 TRP NE1 N 15 127.683 0.062 . 1 . . . . 15 TRP NE1 . 7125 1 1500 . 3 2 16 16 GLY H H 1 7.813 0.018 . 1 . . . . 16 GLY HN . 7125 1 1501 . 3 2 16 16 GLY HA2 H 1 3.990 0.013 . 2 . . . . 16 GLY HA2 . 7125 1 1502 . 3 2 16 16 GLY CA C 13 46.466 0.091 . 1 . . . . 16 GLY CA . 7125 1 1503 . 3 2 16 16 GLY N N 15 101.518 0.032 . 1 . . . . 16 GLY N . 7125 1 1504 . 3 2 17 17 LYS H H 1 7.726 0.012 . 1 . . . . 17 LYS HN . 7125 1 1505 . 3 2 17 17 LYS HA H 1 4.415 0.009 . 1 . . . . 17 LYS HA . 7125 1 1506 . 3 2 17 17 LYS HB2 H 1 2.113 0.000 . 2 . . . . 17 LYS HB2 . 7125 1 1507 . 3 2 17 17 LYS HB3 H 1 2.006 0.000 . 2 . . . . 17 LYS HB3 . 7125 1 1508 . 3 2 17 17 LYS HG2 H 1 1.538 0.003 . 2 . . . . 17 LYS HG2 . 7125 1 1509 . 3 2 17 17 LYS HD2 H 1 1.672 0.024 . 2 . . . . 17 LYS HD2 . 7125 1 1510 . 3 2 17 17 LYS HE2 H 1 2.911 0.000 . 2 . . . . 17 LYS HE2 . 7125 1 1511 . 3 2 17 17 LYS CA C 13 56.011 0.042 . 1 . . . . 17 LYS CA . 7125 1 1512 . 3 2 17 17 LYS CB C 13 33.718 0.093 . 1 . . . . 17 LYS CB . 7125 1 1513 . 3 2 17 17 LYS CG C 13 25.338 0.073 . 1 . . . . 17 LYS CG . 7125 1 1514 . 3 2 17 17 LYS CD C 13 29.951 0.023 . 1 . . . . 17 LYS CD . 7125 1 1515 . 3 2 17 17 LYS CE C 13 42.142 0.000 . 1 . . . . 17 LYS CE . 7125 1 1516 . 3 2 17 17 LYS N N 15 118.173 0.074 . 1 . . . . 17 LYS N . 7125 1 1517 . 3 2 18 18 VAL H H 1 7.247 0.010 . 1 . . . . 18 VAL HN . 7125 1 1518 . 3 2 18 18 VAL HA H 1 3.425 0.002 . 1 . . . . 18 VAL HA . 7125 1 1519 . 3 2 18 18 VAL HB H 1 1.536 0.001 . 1 . . . . 18 VAL HB . 7125 1 1520 . 3 2 18 18 VAL HG11 H 1 0.542 0.028 . 2 . . . . 18 VAL HG1# . 7125 1 1521 . 3 2 18 18 VAL HG12 H 1 0.542 0.028 . 2 . . . . 18 VAL HG1# . 7125 1 1522 . 3 2 18 18 VAL HG13 H 1 0.542 0.028 . 2 . . . . 18 VAL HG1# . 7125 1 1523 . 3 2 18 18 VAL HG21 H 1 0.030 0.010 . 2 . . . . 18 VAL HG2# . 7125 1 1524 . 3 2 18 18 VAL HG22 H 1 0.030 0.010 . 2 . . . . 18 VAL HG2# . 7125 1 1525 . 3 2 18 18 VAL HG23 H 1 0.030 0.010 . 2 . . . . 18 VAL HG2# . 7125 1 1526 . 3 2 18 18 VAL CA C 13 63.458 0.004 . 1 . . . . 18 VAL CA . 7125 1 1527 . 3 2 18 18 VAL CB C 13 32.250 0.047 . 1 . . . . 18 VAL CB . 7125 1 1528 . 3 2 18 18 VAL CG1 C 13 23.237 0.093 . 2 . . . . 18 VAL CG1 . 7125 1 1529 . 3 2 18 18 VAL CG2 C 13 20.558 0.058 . 2 . . . . 18 VAL CG2 . 7125 1 1530 . 3 2 18 18 VAL N N 15 121.555 0.037 . 1 . . . . 18 VAL N . 7125 1 1531 . 3 2 19 19 ASN H H 1 8.345 0.009 . 1 . . . . 19 ASN HN . 7125 1 1532 . 3 2 19 19 ASN HA H 1 4.691 0.004 . 1 . . . . 19 ASN HA . 7125 1 1533 . 3 2 19 19 ASN HB2 H 1 2.710 0.004 . 2 . . . . 19 ASN HB1 . 7125 1 1534 . 3 2 19 19 ASN HB3 H 1 2.864 0.006 . 2 . . . . 19 ASN HB2 . 7125 1 1535 . 3 2 19 19 ASN HD21 H 1 7.482 0.000 . 2 . . . . 19 ASN HD21 . 7125 1 1536 . 3 2 19 19 ASN HD22 H 1 6.989 0.004 . 2 . . . . 19 ASN HD22 . 7125 1 1537 . 3 2 19 19 ASN CA C 13 52.229 0.071 . 1 . . . . 19 ASN CA . 7125 1 1538 . 3 2 19 19 ASN CB C 13 37.071 0.011 . 1 . . . . 19 ASN CB . 7125 1 1539 . 3 2 19 19 ASN N N 15 124.948 0.051 . 1 . . . . 19 ASN N . 7125 1 1540 . 3 2 19 19 ASN ND2 N 15 112.191 0.028 . 1 . . . . 19 ASN ND2 . 7125 1 1541 . 3 2 20 20 VAL H H 1 8.191 0.007 . 1 . . . . 20 VAL HN . 7125 1 1542 . 3 2 20 20 VAL HA H 1 3.476 0.012 . 1 . . . . 20 VAL HA . 7125 1 1543 . 3 2 20 20 VAL HB H 1 2.154 0.004 . 1 . . . . 20 VAL HB . 7125 1 1544 . 3 2 20 20 VAL HG11 H 1 0.875 0.004 . 2 . . . . 20 VAL HG1# . 7125 1 1545 . 3 2 20 20 VAL HG12 H 1 0.875 0.004 . 2 . . . . 20 VAL HG1# . 7125 1 1546 . 3 2 20 20 VAL HG13 H 1 0.875 0.004 . 2 . . . . 20 VAL HG1# . 7125 1 1547 . 3 2 20 20 VAL HG21 H 1 0.887 0.000 . 2 . . . . 20 VAL HG2# . 7125 1 1548 . 3 2 20 20 VAL HG22 H 1 0.887 0.000 . 2 . . . . 20 VAL HG2# . 7125 1 1549 . 3 2 20 20 VAL HG23 H 1 0.887 0.000 . 2 . . . . 20 VAL HG2# . 7125 1 1550 . 3 2 20 20 VAL CA C 13 64.261 0.042 . 1 . . . . 20 VAL CA . 7125 1 1551 . 3 2 20 20 VAL CB C 13 31.248 0.011 . 1 . . . . 20 VAL CB . 7125 1 1552 . 3 2 20 20 VAL CG1 C 13 21.449 0.031 . 2 . . . . 20 VAL CG1 . 7125 1 1553 . 3 2 20 20 VAL CG2 C 13 19.331 0.009 . 2 . . . . 20 VAL CG2 . 7125 1 1554 . 3 2 20 20 VAL N N 15 124.178 0.047 . 1 . . . . 20 VAL N . 7125 1 1555 . 3 2 21 21 ASP H H 1 7.949 0.004 . 1 . . . . 21 ASP HN . 7125 1 1556 . 3 2 21 21 ASP HA H 1 4.414 0.006 . 1 . . . . 21 ASP HA . 7125 1 1557 . 3 2 21 21 ASP HB2 H 1 2.628 0.004 . 2 . . . . 21 ASP HB2 . 7125 1 1558 . 3 2 21 21 ASP CA C 13 56.559 0.000 . 1 . . . . 21 ASP CA . 7125 1 1559 . 3 2 21 21 ASP CB C 13 41.333 0.009 . 1 . . . . 21 ASP CB . 7125 1 1560 . 3 2 21 21 ASP N N 15 119.232 0.047 . 1 . . . . 21 ASP N . 7125 1 1561 . 3 2 22 22 GLU H H 1 7.224 0.006 . 1 . . . . 22 GLU HN . 7125 1 1562 . 3 2 22 22 GLU HA H 1 4.352 0.017 . 1 . . . . 22 GLU HA . 7125 1 1563 . 3 2 22 22 GLU HB2 H 1 1.499 0.016 . 2 . . . . 22 GLU HB2 . 7125 1 1564 . 3 2 22 22 GLU HB3 H 1 2.004 0.029 . 2 . . . . 22 GLU HB3 . 7125 1 1565 . 3 2 22 22 GLU HG2 H 1 2.085 0.033 . 2 . . . . 22 GLU HG2 . 7125 1 1566 . 3 2 22 22 GLU HG3 H 1 1.973 0.000 . 2 . . . . 22 GLU HG3 . 7125 1 1567 . 3 2 22 22 GLU CA C 13 57.206 0.011 . 1 . . . . 22 GLU CA . 7125 1 1568 . 3 2 22 22 GLU CB C 13 32.785 0.117 . 1 . . . . 22 GLU CB . 7125 1 1569 . 3 2 22 22 GLU CG C 13 35.571 0.000 . 1 . . . . 22 GLU CG . 7125 1 1570 . 3 2 22 22 GLU N N 15 117.441 0.038 . 1 . . . . 22 GLU N . 7125 1 1571 . 3 2 23 23 VAL H H 1 7.802 0.014 . 1 . . . . 23 VAL HN . 7125 1 1572 . 3 2 23 23 VAL HA H 1 3.270 0.008 . 1 . . . . 23 VAL HA . 7125 1 1573 . 3 2 23 23 VAL HB H 1 1.335 0.021 . 1 . . . . 23 VAL HB . 7125 1 1574 . 3 2 23 23 VAL HG11 H 1 0.432 0.014 . 2 . . . . 23 VAL HG1# . 7125 1 1575 . 3 2 23 23 VAL HG12 H 1 0.432 0.014 . 2 . . . . 23 VAL HG1# . 7125 1 1576 . 3 2 23 23 VAL HG13 H 1 0.432 0.014 . 2 . . . . 23 VAL HG1# . 7125 1 1577 . 3 2 23 23 VAL HG21 H 1 0.409 0.029 . 2 . . . . 23 VAL HG2# . 7125 1 1578 . 3 2 23 23 VAL HG22 H 1 0.409 0.029 . 2 . . . . 23 VAL HG2# . 7125 1 1579 . 3 2 23 23 VAL HG23 H 1 0.409 0.029 . 2 . . . . 23 VAL HG2# . 7125 1 1580 . 3 2 23 23 VAL CA C 13 66.972 0.040 . 1 . . . . 23 VAL CA . 7125 1 1581 . 3 2 23 23 VAL CB C 13 31.180 0.069 . 1 . . . . 23 VAL CB . 7125 1 1582 . 3 2 23 23 VAL CG1 C 13 24.144 0.045 . 2 . . . . 23 VAL CG1 . 7125 1 1583 . 3 2 23 23 VAL CG2 C 13 20.588 0.053 . 2 . . . . 23 VAL CG2 . 7125 1 1584 . 3 2 23 23 VAL N N 15 118.284 0.055 . 1 . . . . 23 VAL N . 7125 1 1585 . 3 2 24 24 GLY H H 1 8.590 0.006 . 1 . . . . 24 GLY HN . 7125 1 1586 . 3 2 24 24 GLY HA2 H 1 3.538 0.000 . 2 . . . . 24 GLY HA2 . 7125 1 1587 . 3 2 24 24 GLY HA3 H 1 3.127 0.000 . 2 . . . . 24 GLY HA3 . 7125 1 1588 . 3 2 24 24 GLY CA C 13 47.570 0.025 . 1 . . . . 24 GLY CA . 7125 1 1589 . 3 2 24 24 GLY N N 15 108.589 0.110 . 1 . . . . 24 GLY N . 7125 1 1590 . 3 2 25 25 GLY H H 1 7.515 0.007 . 1 . . . . 25 GLY HN . 7125 1 1591 . 3 2 25 25 GLY HA2 H 1 3.760 0.020 . 2 . . . . 25 GLY HA2 . 7125 1 1592 . 3 2 25 25 GLY HA3 H 1 3.335 0.000 . 2 . . . . 25 GLY HA3 . 7125 1 1593 . 3 2 25 25 GLY CA C 13 47.589 0.034 . 1 . . . . 25 GLY CA . 7125 1 1594 . 3 2 25 25 GLY N N 15 108.766 0.036 . 1 . . . . 25 GLY N . 7125 1 1595 . 3 2 26 26 GLU H H 1 7.610 0.012 . 1 . . . . 26 GLU HN . 7125 1 1596 . 3 2 26 26 GLU HA H 1 3.772 0.034 . 1 . . . . 26 GLU HA . 7125 1 1597 . 3 2 26 26 GLU HB2 H 1 2.030 0.000 . 2 . . . . 26 GLU HB2 . 7125 1 1598 . 3 2 26 26 GLU HB3 H 1 1.958 0.000 . 2 . . . . 26 GLU HB3 . 7125 1 1599 . 3 2 26 26 GLU HG3 H 1 2.139 0.009 . 2 . . . . 26 GLU HG3 . 7125 1 1600 . 3 2 26 26 GLU CA C 13 59.109 0.044 . 1 . . . . 26 GLU CA . 7125 1 1601 . 3 2 26 26 GLU CB C 13 29.672 0.048 . 1 . . . . 26 GLU CB . 7125 1 1602 . 3 2 26 26 GLU CG C 13 36.928 0.084 . 1 . . . . 26 GLU CG . 7125 1 1603 . 3 2 26 26 GLU N N 15 121.951 0.059 . 1 . . . . 26 GLU N . 7125 1 1604 . 3 2 27 27 ALA H H 1 8.053 0.007 . 1 . . . . 27 ALA HN . 7125 1 1605 . 3 2 27 27 ALA HA H 1 3.739 0.000 . 1 . . . . 27 ALA HA . 7125 1 1606 . 3 2 27 27 ALA HB1 H 1 1.071 0.013 . 1 . . . . 27 ALA HB# . 7125 1 1607 . 3 2 27 27 ALA HB2 H 1 1.071 0.013 . 1 . . . . 27 ALA HB# . 7125 1 1608 . 3 2 27 27 ALA HB3 H 1 1.071 0.013 . 1 . . . . 27 ALA HB# . 7125 1 1609 . 3 2 27 27 ALA CA C 13 54.743 0.000 . 1 . . . . 27 ALA CA . 7125 1 1610 . 3 2 27 27 ALA CB C 13 16.998 0.042 . 1 . . . . 27 ALA CB . 7125 1 1611 . 3 2 27 27 ALA N N 15 119.996 0.057 . 1 . . . . 27 ALA N . 7125 1 1612 . 3 2 28 28 LEU H H 1 7.861 0.014 . 1 . . . . 28 LEU HN . 7125 1 1613 . 3 2 28 28 LEU HA H 1 3.340 0.008 . 1 . . . . 28 LEU HA . 7125 1 1614 . 3 2 28 28 LEU HB2 H 1 1.139 0.009 . 2 . . . . 28 LEU HB2 . 7125 1 1615 . 3 2 28 28 LEU HB3 H 1 0.342 0.000 . 2 . . . . 28 LEU HB3 . 7125 1 1616 . 3 2 28 28 LEU HD11 H 1 -0.722 0.015 . 1 . . . . 28 LEU HD1 . 7125 1 1617 . 3 2 28 28 LEU HD12 H 1 -0.722 0.015 . 1 . . . . 28 LEU HD1 . 7125 1 1618 . 3 2 28 28 LEU HD13 H 1 -0.722 0.015 . 1 . . . . 28 LEU HD1 . 7125 1 1619 . 3 2 28 28 LEU HD21 H 1 -0.213 0.003 . 1 . . . . 28 LEU HD2 . 7125 1 1620 . 3 2 28 28 LEU HD22 H 1 -0.213 0.003 . 1 . . . . 28 LEU HD2 . 7125 1 1621 . 3 2 28 28 LEU HD23 H 1 -0.213 0.003 . 1 . . . . 28 LEU HD2 . 7125 1 1622 . 3 2 28 28 LEU CA C 13 56.886 0.081 . 1 . . . . 28 LEU CA . 7125 1 1623 . 3 2 28 28 LEU CB C 13 41.608 0.019 . 1 . . . . 28 LEU CB . 7125 1 1624 . 3 2 28 28 LEU CD1 C 13 21.343 0.093 . 2 . . . . 28 LEU CD1 . 7125 1 1625 . 3 2 28 28 LEU CD2 C 13 26.075 0.012 . 2 . . . . 28 LEU CD2 . 7125 1 1626 . 3 2 28 28 LEU N N 15 116.456 0.048 . 1 . . . . 28 LEU N . 7125 1 1627 . 3 2 29 29 GLY H H 1 8.064 0.011 . 1 . . . . 29 GLY HN . 7125 1 1628 . 3 2 29 29 GLY HA2 H 1 3.527 0.000 . 2 . . . . 29 GLY HA2 . 7125 1 1629 . 3 2 29 29 GLY HA3 H 1 3.125 0.000 . 2 . . . . 29 GLY HA3 . 7125 1 1630 . 3 2 29 29 GLY CA C 13 47.587 0.090 . 1 . . . . 29 GLY CA . 7125 1 1631 . 3 2 29 29 GLY N N 15 104.306 0.086 . 1 . . . . 29 GLY N . 7125 1 1632 . 3 2 30 30 ARG H H 1 7.921 0.011 . 1 . . . . 30 ARG HN . 7125 1 1633 . 3 2 30 30 ARG HA H 1 3.530 0.011 . 1 . . . . 30 ARG HA . 7125 1 1634 . 3 2 30 30 ARG HB2 H 1 1.772 0.000 . 2 . . . . 30 ARG HB2 . 7125 1 1635 . 3 2 30 30 ARG CA C 13 60.645 0.019 . 1 . . . . 30 ARG CA . 7125 1 1636 . 3 2 30 30 ARG CB C 13 31.862 0.000 . 1 . . . . 30 ARG CB . 7125 1 1637 . 3 2 30 30 ARG N N 15 116.977 0.094 . 1 . . . . 30 ARG N . 7125 1 1638 . 3 2 31 31 LEU H H 1 7.757 0.008 . 1 . . . . 31 LEU HN . 7125 1 1639 . 3 2 31 31 LEU HA H 1 3.805 0.000 . 1 . . . . 31 LEU HA . 7125 1 1640 . 3 2 31 31 LEU HB3 H 1 1.560 0.000 . 2 . . . . 31 LEU HB3 . 7125 1 1641 . 3 2 31 31 LEU HD11 H 1 0.745 0.000 . 2 . . . . 31 LEU HD1 . 7125 1 1642 . 3 2 31 31 LEU HD12 H 1 0.745 0.000 . 2 . . . . 31 LEU HD1 . 7125 1 1643 . 3 2 31 31 LEU HD13 H 1 0.745 0.000 . 2 . . . . 31 LEU HD1 . 7125 1 1644 . 3 2 31 31 LEU HD21 H 1 1.059 0.017 . 2 . . . . 31 LEU HD2 . 7125 1 1645 . 3 2 31 31 LEU HD22 H 1 1.059 0.017 . 2 . . . . 31 LEU HD2 . 7125 1 1646 . 3 2 31 31 LEU HD23 H 1 1.059 0.017 . 2 . . . . 31 LEU HD2 . 7125 1 1647 . 3 2 31 31 LEU CA C 13 59.438 0.000 . 1 . . . . 31 LEU CA . 7125 1 1648 . 3 2 31 31 LEU CB C 13 41.647 0.000 . 1 . . . . 31 LEU CB . 7125 1 1649 . 3 2 31 31 LEU CD1 C 13 26.557 0.000 . 2 . . . . 31 LEU CD1 . 7125 1 1650 . 3 2 31 31 LEU CD2 C 13 24.822 0.032 . 2 . . . . 31 LEU CD2 . 7125 1 1651 . 3 2 31 31 LEU N N 15 121.166 0.076 . 1 . . . . 31 LEU N . 7125 1 1652 . 3 2 32 32 LEU H H 1 7.051 0.004 . 1 . . . . 32 LEU HN . 7125 1 1653 . 3 2 32 32 LEU HG H 1 1.464 0.000 . 1 . . . . 32 LEU HG . 7125 1 1654 . 3 2 32 32 LEU HD11 H 1 0.214 0.020 . 2 . . . . 32 LEU HD1 . 7125 1 1655 . 3 2 32 32 LEU HD12 H 1 0.214 0.020 . 2 . . . . 32 LEU HD1 . 7125 1 1656 . 3 2 32 32 LEU HD13 H 1 0.214 0.020 . 2 . . . . 32 LEU HD1 . 7125 1 1657 . 3 2 32 32 LEU HD21 H 1 0.427 0.015 . 2 . . . . 32 LEU HD2 . 7125 1 1658 . 3 2 32 32 LEU HD22 H 1 0.427 0.015 . 2 . . . . 32 LEU HD2 . 7125 1 1659 . 3 2 32 32 LEU HD23 H 1 0.427 0.015 . 2 . . . . 32 LEU HD2 . 7125 1 1660 . 3 2 32 32 LEU CG C 13 27.663 0.000 . 1 . . . . 32 LEU CG . 7125 1 1661 . 3 2 32 32 LEU CD1 C 13 25.221 0.074 . 2 . . . . 32 LEU CD1 . 7125 1 1662 . 3 2 32 32 LEU CD2 C 13 23.711 0.000 . 2 . . . . 32 LEU CD2 . 7125 1 1663 . 3 2 32 32 LEU N N 15 115.477 0.037 . 1 . . . . 32 LEU N . 7125 1 1664 . 3 2 33 33 VAL H H 1 7.494 0.012 . 1 . . . . 33 VAL HN . 7125 1 1665 . 3 2 33 33 VAL HA H 1 3.431 0.006 . 1 . . . . 33 VAL HA . 7125 1 1666 . 3 2 33 33 VAL HB H 1 1.598 0.020 . 1 . . . . 33 VAL HB . 7125 1 1667 . 3 2 33 33 VAL HG11 H 1 0.501 0.008 . 2 . . . . 33 VAL HG1# . 7125 1 1668 . 3 2 33 33 VAL HG12 H 1 0.501 0.008 . 2 . . . . 33 VAL HG1# . 7125 1 1669 . 3 2 33 33 VAL HG13 H 1 0.501 0.008 . 2 . . . . 33 VAL HG1# . 7125 1 1670 . 3 2 33 33 VAL HG21 H 1 0.746 0.003 . 2 . . . . 33 VAL HG2# . 7125 1 1671 . 3 2 33 33 VAL HG22 H 1 0.746 0.003 . 2 . . . . 33 VAL HG2# . 7125 1 1672 . 3 2 33 33 VAL HG23 H 1 0.746 0.003 . 2 . . . . 33 VAL HG2# . 7125 1 1673 . 3 2 33 33 VAL CA C 13 64.811 0.010 . 1 . . . . 33 VAL CA . 7125 1 1674 . 3 2 33 33 VAL CB C 13 33.093 0.032 . 1 . . . . 33 VAL CB . 7125 1 1675 . 3 2 33 33 VAL CG1 C 13 21.233 0.017 . 2 . . . . 33 VAL CG1 . 7125 1 1676 . 3 2 33 33 VAL CG2 C 13 22.933 0.057 . 2 . . . . 33 VAL CG2 . 7125 1 1677 . 3 2 33 33 VAL N N 15 116.348 0.072 . 1 . . . . 33 VAL N . 7125 1 1678 . 3 2 34 34 VAL H H 1 8.582 0.009 . 1 . . . . 34 VAL HN . 7125 1 1679 . 3 2 34 34 VAL HA H 1 2.989 0.008 . 1 . . . . 34 VAL HA . 7125 1 1680 . 3 2 34 34 VAL HB H 1 1.070 0.003 . 1 . . . . 34 VAL HB . 7125 1 1681 . 3 2 34 34 VAL HG21 H 1 -0.251 0.012 . 2 . . . . 34 VAL HG2# . 7125 1 1682 . 3 2 34 34 VAL HG22 H 1 -0.251 0.012 . 2 . . . . 34 VAL HG2# . 7125 1 1683 . 3 2 34 34 VAL HG23 H 1 -0.251 0.012 . 2 . . . . 34 VAL HG2# . 7125 1 1684 . 3 2 34 34 VAL CA C 13 65.254 0.066 . 1 . . . . 34 VAL CA . 7125 1 1685 . 3 2 34 34 VAL CB C 13 32.081 0.039 . 1 . . . . 34 VAL CB . 7125 1 1686 . 3 2 34 34 VAL CG2 C 13 20.939 0.076 . 1 . . . . 34 VAL CG2 . 7125 1 1687 . 3 2 34 34 VAL N N 15 119.158 0.085 . 1 . . . . 34 VAL N . 7125 1 1688 . 3 2 35 35 TYR H H 1 7.475 0.006 . 1 . . . . 35 TYR HN . 7125 1 1689 . 3 2 35 35 TYR HA H 1 4.330 0.000 . 1 . . . . 35 TYR HA . 7125 1 1690 . 3 2 35 35 TYR HB2 H 1 2.560 0.000 . 2 . . . . 35 TYR HB2 . 7125 1 1691 . 3 2 35 35 TYR HB3 H 1 1.477 0.000 . 2 . . . . 35 TYR HB3 . 7125 1 1692 . 3 2 35 35 TYR CA C 13 53.307 0.000 . 1 . . . . 35 TYR CA . 7125 1 1693 . 3 2 35 35 TYR CB C 13 35.571 0.000 . 1 . . . . 35 TYR CB . 7125 1 1694 . 3 2 35 35 TYR N N 15 117.735 0.034 . 1 . . . . 35 TYR N . 7125 1 1695 . 3 2 36 36 PRO HA H 1 4.493 0.000 . 1 . . . . 36 PRO HA . 7125 1 1696 . 3 2 36 36 PRO HD2 H 1 3.508 0.000 . 2 . . . . 36 PRO HD2 . 7125 1 1697 . 3 2 36 36 PRO CA C 13 65.780 0.000 . 1 . . . . 36 PRO CA . 7125 1 1698 . 3 2 36 36 PRO CD C 13 50.862 0.000 . 1 . . . . 36 PRO CD . 7125 1 1699 . 3 2 37 37 TRP H H 1 7.112 0.007 . 1 . . . . 37 TRP HN . 7125 1 1700 . 3 2 37 37 TRP HA H 1 4.619 0.000 . 1 . . . . 37 TRP HA . 7125 1 1701 . 3 2 37 37 TRP HB2 H 1 1.944 0.000 . 2 . . . . 37 TRP HB2 . 7125 1 1702 . 3 2 37 37 TRP HD1 H 1 7.401 0.015 . 1 . . . . 37 TRP HD1 . 7125 1 1703 . 3 2 37 37 TRP HE1 H 1 10.652 0.008 . 1 . . . . 37 TRP HE1 . 7125 1 1704 . 3 2 37 37 TRP HZ2 H 1 7.529 0.007 . 1 . . . . 37 TRP HZ2 . 7125 1 1705 . 3 2 37 37 TRP CA C 13 61.139 0.000 . 1 . . . . 37 TRP CA . 7125 1 1706 . 3 2 37 37 TRP CB C 13 27.174 0.000 . 1 . . . . 37 TRP CB . 7125 1 1707 . 3 2 37 37 TRP CD1 C 13 127.137 0.044 . 1 . . . . 37 TRP CD1 . 7125 1 1708 . 3 2 37 37 TRP CZ2 C 13 116.372 0.047 . 1 . . . . 37 TRP CZ2 . 7125 1 1709 . 3 2 37 37 TRP N N 15 117.401 0.090 . 1 . . . . 37 TRP N . 7125 1 1710 . 3 2 37 37 TRP NE1 N 15 133.634 0.067 . 1 . . . . 37 TRP NE1 . 7125 1 1711 . 3 2 38 38 THR H H 1 8.213 0.012 . 1 . . . . 38 THR HN . 7125 1 1712 . 3 2 38 38 THR HA H 1 4.447 0.013 . 1 . . . . 38 THR HA . 7125 1 1713 . 3 2 38 38 THR HG21 H 1 1.205 0.009 . 1 . . . . 38 THR HG2# . 7125 1 1714 . 3 2 38 38 THR HG22 H 1 1.205 0.009 . 1 . . . . 38 THR HG2# . 7125 1 1715 . 3 2 38 38 THR HG23 H 1 1.205 0.009 . 1 . . . . 38 THR HG2# . 7125 1 1716 . 3 2 38 38 THR CA C 13 65.743 0.086 . 1 . . . . 38 THR CA . 7125 1 1717 . 3 2 38 38 THR CG2 C 13 21.953 0.031 . 1 . . . . 38 THR CG2 . 7125 1 1718 . 3 2 38 38 THR N N 15 117.248 0.027 . 1 . . . . 38 THR N . 7125 1 1719 . 3 2 39 39 GLN H H 1 7.751 0.012 . 1 . . . . 39 GLN HN . 7125 1 1720 . 3 2 39 39 GLN N N 15 118.091 0.018 . 1 . . . . 39 GLN N . 7125 1 1721 . 3 2 40 40 ARG H H 1 7.779 0.009 . 1 . . . . 40 ARG HN . 7125 1 1722 . 3 2 40 40 ARG HA H 1 4.065 0.030 . 1 . . . . 40 ARG HA . 7125 1 1723 . 3 2 40 40 ARG HB2 H 1 2.208 0.000 . 2 . . . . 40 ARG HB2 . 7125 1 1724 . 3 2 40 40 ARG HG2 H 1 1.498 0.000 . 2 . . . . 40 ARG HG2 . 7125 1 1725 . 3 2 40 40 ARG HD3 H 1 2.920 0.000 . 2 . . . . 40 ARG HD3 . 7125 1 1726 . 3 2 40 40 ARG CA C 13 59.321 0.190 . 1 . . . . 40 ARG CA . 7125 1 1727 . 3 2 40 40 ARG CB C 13 31.338 0.000 . 1 . . . . 40 ARG CB . 7125 1 1728 . 3 2 40 40 ARG CG C 13 27.705 0.000 . 1 . . . . 40 ARG CG . 7125 1 1729 . 3 2 40 40 ARG CD C 13 42.113 0.000 . 1 . . . . 40 ARG CD . 7125 1 1730 . 3 2 40 40 ARG N N 15 118.215 0.064 . 1 . . . . 40 ARG N . 7125 1 1731 . 3 2 41 41 PHE H H 1 7.498 0.010 . 1 . . . . 41 PHE HN . 7125 1 1732 . 3 2 41 41 PHE HA H 1 4.441 0.007 . 1 . . . . 41 PHE HA . 7125 1 1733 . 3 2 41 41 PHE HD1 H 1 7.979 0.019 . 3 . . . . 41 PHE HD1 . 7125 1 1734 . 3 2 41 41 PHE CA C 13 60.406 0.003 . 1 . . . . 41 PHE CA . 7125 1 1735 . 3 2 41 41 PHE CD1 C 13 132.161 0.054 . 1 . . . . 41 PHE CD1 . 7125 1 1736 . 3 2 41 41 PHE N N 15 112.422 0.051 . 1 . . . . 41 PHE N . 7125 1 1737 . 3 2 42 42 PHE H H 1 7.594 0.009 . 1 . . . . 42 PHE HN . 7125 1 1738 . 3 2 42 42 PHE HA H 1 4.404 0.004 . 1 . . . . 42 PHE HA . 7125 1 1739 . 3 2 42 42 PHE HB2 H 1 2.543 0.009 . 2 . . . . 42 PHE HB2 . 7125 1 1740 . 3 2 42 42 PHE HB3 H 1 2.022 0.000 . 2 . . . . 42 PHE HB3 . 7125 1 1741 . 3 2 42 42 PHE HD1 H 1 6.287 0.025 . 3 . . . . 42 PHE HD1 . 7125 1 1742 . 3 2 42 42 PHE HE1 H 1 6.342 0.002 . 3 . . . . 42 PHE HE1 . 7125 1 1743 . 3 2 42 42 PHE CA C 13 57.199 0.026 . 1 . . . . 42 PHE CA . 7125 1 1744 . 3 2 42 42 PHE CB C 13 39.867 0.009 . 1 . . . . 42 PHE CB . 7125 1 1745 . 3 2 42 42 PHE CD1 C 13 132.816 0.024 . 3 . . . . 42 PHE CD1 . 7125 1 1746 . 3 2 42 42 PHE CE1 C 13 128.828 0.071 . 3 . . . . 42 PHE CE1 . 7125 1 1747 . 3 2 42 42 PHE N N 15 116.396 0.075 . 1 . . . . 42 PHE N . 7125 1 1748 . 3 2 43 43 GLU H H 1 7.388 0.010 . 1 . . . . 43 GLU HN . 7125 1 1749 . 3 2 43 43 GLU HA H 1 4.173 0.022 . 1 . . . . 43 GLU HA . 7125 1 1750 . 3 2 43 43 GLU HB2 H 1 2.150 0.008 . 2 . . . . 43 GLU HB2 . 7125 1 1751 . 3 2 43 43 GLU HG2 H 1 2.441 0.020 . 2 . . . . 43 GLU HG2 . 7125 1 1752 . 3 2 43 43 GLU HG3 H 1 2.372 0.000 . 2 . . . . 43 GLU HG3 . 7125 1 1753 . 3 2 43 43 GLU CA C 13 59.683 0.049 . 1 . . . . 43 GLU CA . 7125 1 1754 . 3 2 43 43 GLU CB C 13 30.000 0.049 . 1 . . . . 43 GLU CB . 7125 1 1755 . 3 2 43 43 GLU CG C 13 36.325 0.046 . 1 . . . . 43 GLU CG . 7125 1 1756 . 3 2 43 43 GLU N N 15 121.043 0.059 . 1 . . . . 43 GLU N . 7125 1 1757 . 3 2 44 44 SER H H 1 8.727 0.014 . 1 . . . . 44 SER HN . 7125 1 1758 . 3 2 44 44 SER HA H 1 4.425 0.020 . 1 . . . . 44 SER HA . 7125 1 1759 . 3 2 44 44 SER HB3 H 1 4.106 0.008 . 2 . . . . 44 SER HB3 . 7125 1 1760 . 3 2 44 44 SER CA C 13 60.139 0.071 . 1 . . . . 44 SER CA . 7125 1 1761 . 3 2 44 44 SER CB C 13 63.275 0.005 . 1 . . . . 44 SER CB . 7125 1 1762 . 3 2 44 44 SER N N 15 113.220 0.065 . 1 . . . . 44 SER N . 7125 1 1763 . 3 2 45 45 PHE H H 1 8.578 0.009 . 1 . . . . 45 PHE HN . 7125 1 1764 . 3 2 45 45 PHE HA H 1 4.522 0.022 . 1 . . . . 45 PHE HA . 7125 1 1765 . 3 2 45 45 PHE HB2 H 1 3.576 0.016 . 1 . . . . 45 PHE HB2 . 7125 1 1766 . 3 2 45 45 PHE HB3 H 1 3.103 0.016 . 1 . . . . 45 PHE HB3 . 7125 1 1767 . 3 2 45 45 PHE HD1 H 1 6.869 0.001 . 3 . . . . 45 PHE HD1 . 7125 1 1768 . 3 2 45 45 PHE HE1 H 1 6.787 0.004 . 3 . . . . 45 PHE HE1 . 7125 1 1769 . 3 2 45 45 PHE CA C 13 56.893 0.013 . 1 . . . . 45 PHE CA . 7125 1 1770 . 3 2 45 45 PHE CB C 13 36.631 0.188 . 1 . . . . 45 PHE CB . 7125 1 1771 . 3 2 45 45 PHE CD1 C 13 129.673 0.044 . 3 . . . . 45 PHE CD1 . 7125 1 1772 . 3 2 45 45 PHE CE1 C 13 131.536 0.045 . 3 . . . . 45 PHE CE1 . 7125 1 1773 . 3 2 45 45 PHE N N 15 122.163 0.086 . 1 . . . . 45 PHE N . 7125 1 1774 . 3 2 46 46 GLY CA C 13 44.881 0.063 . 1 . . . . 46 GLY CA . 7125 1 1775 . 3 2 46 46 GLY HA2 H 1 3.636 0.018 . 2 . . . . 46 GLY HA2 . 7125 1 1776 . 3 2 46 46 GLY HA3 H 1 4.289 0.001 . 2 . . . . 46 GLY HA3 . 7125 1 1777 . 3 2 46 46 GLY H H 1 7.763 0.007 . 1 . . . . 46 GLY HN . 7125 1 1778 . 3 2 46 46 GLY N N 15 108.128 0.024 . 1 . . . . 46 GLY N . 7125 1 1779 . 3 2 47 47 ASP H H 1 8.439 0.004 . 1 . . . . 47 ASP HN . 7125 1 1780 . 3 2 47 47 ASP HA H 1 4.298 0.010 . 1 . . . . 47 ASP HA . 7125 1 1781 . 3 2 47 47 ASP HB2 H 1 2.874 0.000 . 2 . . . . 47 ASP HB2 . 7125 1 1782 . 3 2 47 47 ASP HB3 H 1 2.549 0.000 . 2 . . . . 47 ASP HB3 . 7125 1 1783 . 3 2 47 47 ASP CA C 13 55.689 0.088 . 1 . . . . 47 ASP CA . 7125 1 1784 . 3 2 47 47 ASP CB C 13 40.516 0.112 . 1 . . . . 47 ASP CB . 7125 1 1785 . 3 2 47 47 ASP N N 15 122.418 0.068 . 1 . . . . 47 ASP N . 7125 1 1786 . 3 2 48 48 LEU H H 1 8.401 0.007 . 1 . . . . 48 LEU HN . 7125 1 1787 . 3 2 48 48 LEU HA H 1 4.484 0.010 . 1 . . . . 48 LEU HA . 7125 1 1788 . 3 2 48 48 LEU HG H 1 1.657 0.000 . 1 . . . . 48 LEU HG . 7125 1 1789 . 3 2 48 48 LEU HD11 H 1 0.783 0.008 . 2 . . . . 48 LEU HD1 . 7125 1 1790 . 3 2 48 48 LEU HD12 H 1 0.783 0.008 . 2 . . . . 48 LEU HD1 . 7125 1 1791 . 3 2 48 48 LEU HD13 H 1 0.783 0.008 . 2 . . . . 48 LEU HD1 . 7125 1 1792 . 3 2 48 48 LEU HD21 H 1 0.671 0.014 . 2 . . . . 48 LEU HD2 . 7125 1 1793 . 3 2 48 48 LEU HD22 H 1 0.671 0.014 . 2 . . . . 48 LEU HD2 . 7125 1 1794 . 3 2 48 48 LEU HD23 H 1 0.671 0.014 . 2 . . . . 48 LEU HD2 . 7125 1 1795 . 3 2 48 48 LEU CA C 13 52.762 0.029 . 1 . . . . 48 LEU CA . 7125 1 1796 . 3 2 48 48 LEU CG C 13 25.910 0.000 . 1 . . . . 48 LEU CG . 7125 1 1797 . 3 2 48 48 LEU CD1 C 13 26.815 0.039 . 2 . . . . 48 LEU CD1 . 7125 1 1798 . 3 2 48 48 LEU CD2 C 13 23.539 0.064 . 2 . . . . 48 LEU CD2 . 7125 1 1799 . 3 2 48 48 LEU N N 15 128.504 0.086 . 1 . . . . 48 LEU N . 7125 1 1800 . 3 2 49 49 SER H H 1 8.190 0.006 . 1 . . . . 49 SER HN . 7125 1 1801 . 3 2 49 49 SER HA H 1 3.989 0.004 . 1 . . . . 49 SER HA . 7125 1 1802 . 3 2 49 49 SER HB2 H 1 3.921 0.011 . 2 . . . . 49 SER HB2 . 7125 1 1803 . 3 2 49 49 SER CA C 13 62.221 0.004 . 1 . . . . 49 SER CA . 7125 1 1804 . 3 2 49 49 SER CB C 13 64.198 0.017 . 1 . . . . 49 SER CB . 7125 1 1805 . 3 2 49 49 SER N N 15 112.811 0.051 . 1 . . . . 49 SER N . 7125 1 1806 . 3 2 50 50 THR H H 1 7.130 0.006 . 1 . . . . 50 THR HN . 7125 1 1807 . 3 2 50 50 THR HA H 1 4.865 0.000 . 1 . . . . 50 THR HA . 7125 1 1808 . 3 2 50 50 THR HB H 1 4.444 0.008 . 1 . . . . 50 THR HB . 7125 1 1809 . 3 2 50 50 THR HG21 H 1 1.183 0.027 . 1 . . . . 50 THR HG2# . 7125 1 1810 . 3 2 50 50 THR HG22 H 1 1.183 0.027 . 1 . . . . 50 THR HG2# . 7125 1 1811 . 3 2 50 50 THR HG23 H 1 1.183 0.027 . 1 . . . . 50 THR HG2# . 7125 1 1812 . 3 2 50 50 THR CA C 13 58.324 0.000 . 1 . . . . 50 THR CA . 7125 1 1813 . 3 2 50 50 THR CB C 13 70.543 0.033 . 1 . . . . 50 THR CB . 7125 1 1814 . 3 2 50 50 THR CG2 C 13 21.922 0.097 . 1 . . . . 50 THR CG2 . 7125 1 1815 . 3 2 50 50 THR N N 15 111.489 0.053 . 1 . . . . 50 THR N . 7125 1 1816 . 3 2 51 51 PRO HA H 1 3.887 0.016 . 1 . . . . 51 PRO HA . 7125 1 1817 . 3 2 51 51 PRO HB2 H 1 1.891 0.045 . 2 . . . . 51 PRO HB2 . 7125 1 1818 . 3 2 51 51 PRO HB3 H 1 2.040 0.000 . 2 . . . . 51 PRO HB3 . 7125 1 1819 . 3 2 51 51 PRO HG2 H 1 2.033 0.000 . 2 . . . . 51 PRO HG2 . 7125 1 1820 . 3 2 51 51 PRO HG3 H 1 1.384 0.000 . 2 . . . . 51 PRO HG3 . 7125 1 1821 . 3 2 51 51 PRO HD2 H 1 3.829 0.010 . 2 . . . . 51 PRO HD2 . 7125 1 1822 . 3 2 51 51 PRO CA C 13 65.815 0.027 . 1 . . . . 51 PRO CA . 7125 1 1823 . 3 2 51 51 PRO CB C 13 31.619 0.000 . 1 . . . . 51 PRO CB . 7125 1 1824 . 3 2 51 51 PRO CG C 13 28.077 0.039 . 1 . . . . 51 PRO CG . 7125 1 1825 . 3 2 51 51 PRO CD C 13 50.299 0.000 . 1 . . . . 51 PRO CD . 7125 1 1826 . 3 2 52 52 ASP H H 1 7.958 0.006 . 1 . . . . 52 ASP HN . 7125 1 1827 . 3 2 52 52 ASP HA H 1 4.127 0.016 . 1 . . . . 52 ASP HA . 7125 1 1828 . 3 2 52 52 ASP HB3 H 1 2.422 0.003 . 2 . . . . 52 ASP HB3 . 7125 1 1829 . 3 2 52 52 ASP CA C 13 57.126 0.029 . 1 . . . . 52 ASP CA . 7125 1 1830 . 3 2 52 52 ASP CB C 13 40.319 0.001 . 1 . . . . 52 ASP CB . 7125 1 1831 . 3 2 52 52 ASP N N 15 114.667 0.053 . 1 . . . . 52 ASP N . 7125 1 1832 . 3 2 53 53 ALA H H 1 7.815 0.006 . 1 . . . . 53 ALA HN . 7125 1 1833 . 3 2 53 53 ALA HA H 1 3.969 0.013 . 1 . . . . 53 ALA HA . 7125 1 1834 . 3 2 53 53 ALA HB1 H 1 1.286 0.018 . 1 . . . . 53 ALA HB# . 7125 1 1835 . 3 2 53 53 ALA HB2 H 1 1.286 0.018 . 1 . . . . 53 ALA HB# . 7125 1 1836 . 3 2 53 53 ALA HB3 H 1 1.286 0.018 . 1 . . . . 53 ALA HB# . 7125 1 1837 . 3 2 53 53 ALA CA C 13 54.762 0.001 . 1 . . . . 53 ALA CA . 7125 1 1838 . 3 2 53 53 ALA CB C 13 18.452 0.070 . 1 . . . . 53 ALA CB . 7125 1 1839 . 3 2 53 53 ALA N N 15 123.758 0.076 . 1 . . . . 53 ALA N . 7125 1 1840 . 3 2 54 54 VAL H H 1 7.835 0.015 . 1 . . . . 54 VAL HN . 7125 1 1841 . 3 2 54 54 VAL HA H 1 3.303 0.012 . 1 . . . . 54 VAL HA . 7125 1 1842 . 3 2 54 54 VAL HB H 1 1.836 0.004 . 1 . . . . 54 VAL HB . 7125 1 1843 . 3 2 54 54 VAL HG11 H 1 0.796 0.019 . 2 . . . . 54 VAL HG1# . 7125 1 1844 . 3 2 54 54 VAL HG12 H 1 0.796 0.019 . 2 . . . . 54 VAL HG1# . 7125 1 1845 . 3 2 54 54 VAL HG13 H 1 0.796 0.019 . 2 . . . . 54 VAL HG1# . 7125 1 1846 . 3 2 54 54 VAL HG21 H 1 0.745 0.013 . 2 . . . . 54 VAL HG2# . 7125 1 1847 . 3 2 54 54 VAL HG22 H 1 0.745 0.013 . 2 . . . . 54 VAL HG2# . 7125 1 1848 . 3 2 54 54 VAL HG23 H 1 0.745 0.013 . 2 . . . . 54 VAL HG2# . 7125 1 1849 . 3 2 54 54 VAL CA C 13 67.028 0.026 . 1 . . . . 54 VAL CA . 7125 1 1850 . 3 2 54 54 VAL CB C 13 32.023 0.034 . 1 . . . . 54 VAL CB . 7125 1 1851 . 3 2 54 54 VAL CG1 C 13 24.011 0.121 . 2 . . . . 54 VAL CG1 . 7125 1 1852 . 3 2 54 54 VAL CG2 C 13 22.961 0.092 . 2 . . . . 54 VAL CG2 . 7125 1 1853 . 3 2 54 54 VAL N N 15 116.672 0.060 . 1 . . . . 54 VAL N . 7125 1 1854 . 3 2 55 55 MET H H 1 7.923 0.012 . 1 . . . . 55 MET HN . 7125 1 1855 . 3 2 55 55 MET HA H 1 4.092 0.008 . 1 . . . . 55 MET HA . 7125 1 1856 . 3 2 55 55 MET HB2 H 1 1.923 0.000 . 2 . . . . 55 MET HB2 . 7125 1 1857 . 3 2 55 55 MET HG2 H 1 2.643 0.000 . 2 . . . . 55 MET HG2 . 7125 1 1858 . 3 2 55 55 MET HE1 H 1 1.942 0.013 . 1 . . . . 55 MET HE# . 7125 1 1859 . 3 2 55 55 MET HE2 H 1 1.942 0.013 . 1 . . . . 55 MET HE# . 7125 1 1860 . 3 2 55 55 MET HE3 H 1 1.942 0.013 . 1 . . . . 55 MET HE# . 7125 1 1861 . 3 2 55 55 MET CA C 13 55.321 0.000 . 1 . . . . 55 MET CA . 7125 1 1862 . 3 2 55 55 MET CB C 13 29.003 0.000 . 1 . . . . 55 MET CB . 7125 1 1863 . 3 2 55 55 MET CG C 13 30.815 0.000 . 1 . . . . 55 MET CG . 7125 1 1864 . 3 2 55 55 MET CE C 13 15.763 0.055 . 1 . . . . 55 MET CE . 7125 1 1865 . 3 2 55 55 MET N N 15 111.923 0.042 . 1 . . . . 55 MET N . 7125 1 1866 . 3 2 56 56 GLY H H 1 7.405 0.004 . 1 . . . . 56 GLY HN . 7125 1 1867 . 3 2 56 56 GLY HA2 H 1 3.527 0.003 . 2 . . . . 56 GLY HA2 . 7125 1 1868 . 3 2 56 56 GLY HA3 H 1 4.191 0.018 . 2 . . . . 56 GLY HA3 . 7125 1 1869 . 3 2 56 56 GLY CA C 13 44.314 0.077 . 1 . . . . 56 GLY CA . 7125 1 1870 . 3 2 56 56 GLY N N 15 103.328 0.035 . 1 . . . . 56 GLY N . 7125 1 1871 . 3 2 57 57 ASN H H 1 7.179 0.006 . 1 . . . . 57 ASN HN . 7125 1 1872 . 3 2 57 57 ASN HA H 1 4.765 0.000 . 1 . . . . 57 ASN HA . 7125 1 1873 . 3 2 57 57 ASN HB2 H 1 3.338 0.000 . 2 . . . . 57 ASN HB2 . 7125 1 1874 . 3 2 57 57 ASN HB3 H 1 2.826 0.000 . 2 . . . . 57 ASN HB3 . 7125 1 1875 . 3 2 57 57 ASN CA C 13 51.887 0.000 . 1 . . . . 57 ASN CA . 7125 1 1876 . 3 2 57 57 ASN CB C 13 38.951 0.037 . 1 . . . . 57 ASN CB . 7125 1 1877 . 3 2 57 57 ASN N N 15 123.465 0.040 . 1 . . . . 57 ASN N . 7125 1 1878 . 3 2 58 58 PRO HA H 1 4.167 0.015 . 1 . . . . 58 PRO HA . 7125 1 1879 . 3 2 58 58 PRO HB2 H 1 2.382 0.000 . 2 . . . . 58 PRO HB2 . 7125 1 1880 . 3 2 58 58 PRO HB3 H 1 1.869 0.000 . 2 . . . . 58 PRO HB3 . 7125 1 1881 . 3 2 58 58 PRO HG2 H 1 2.044 0.000 . 2 . . . . 58 PRO HG2 . 7125 1 1882 . 3 2 58 58 PRO HD2 H 1 3.785 0.000 . 2 . . . . 58 PRO HD1 . 7125 1 1883 . 3 2 58 58 PRO CA C 13 65.046 0.060 . 1 . . . . 58 PRO CA . 7125 1 1884 . 3 2 58 58 PRO CB C 13 32.184 0.123 . 1 . . . . 58 PRO CB . 7125 1 1885 . 3 2 58 58 PRO CG C 13 27.501 0.000 . 1 . . . . 58 PRO CG . 7125 1 1886 . 3 2 58 58 PRO CD C 13 51.348 0.000 . 1 . . . . 58 PRO CD . 7125 1 1887 . 3 2 59 59 LYS H H 1 8.120 0.008 . 1 . . . . 59 LYS HN . 7125 1 1888 . 3 2 59 59 LYS HA H 1 3.836 0.006 . 1 . . . . 59 LYS HA . 7125 1 1889 . 3 2 59 59 LYS HB2 H 1 0.648 0.011 . 2 . . . . 59 LYS HB2 . 7125 1 1890 . 3 2 59 59 LYS HB3 H 1 1.496 0.000 . 2 . . . . 59 LYS HB3 . 7125 1 1891 . 3 2 59 59 LYS HG2 H 1 1.376 0.005 . 2 . . . . 59 LYS HG2 . 7125 1 1892 . 3 2 59 59 LYS HG3 H 1 1.089 0.000 . 2 . . . . 59 LYS HG3 . 7125 1 1893 . 3 2 59 59 LYS HD2 H 1 1.468 0.006 . 2 . . . . 59 LYS HD2 . 7125 1 1894 . 3 2 59 59 LYS HD3 H 1 1.485 0.000 . 2 . . . . 59 LYS HD3 . 7125 1 1895 . 3 2 59 59 LYS HE2 H 1 2.807 0.000 . 2 . . . . 59 LYS HE2 . 7125 1 1896 . 3 2 59 59 LYS CA C 13 59.226 0.089 . 1 . . . . 59 LYS CA . 7125 1 1897 . 3 2 59 59 LYS CB C 13 30.999 0.071 . 1 . . . . 59 LYS CB . 7125 1 1898 . 3 2 59 59 LYS CG C 13 26.393 0.090 . 1 . . . . 59 LYS CG . 7125 1 1899 . 3 2 59 59 LYS CD C 13 29.510 0.073 . 1 . . . . 59 LYS CD . 7125 1 1900 . 3 2 59 59 LYS CE C 13 42.257 0.000 . 1 . . . . 59 LYS CE . 7125 1 1901 . 3 2 59 59 LYS N N 15 119.345 0.064 . 1 . . . . 59 LYS N . 7125 1 1902 . 3 2 60 60 VAL H H 1 7.482 0.008 . 1 . . . . 60 VAL HN . 7125 1 1903 . 3 2 60 60 VAL HA H 1 3.075 0.024 . 1 . . . . 60 VAL HA . 7125 1 1904 . 3 2 60 60 VAL HB H 1 2.277 0.003 . 1 . . . . 60 VAL HB . 7125 1 1905 . 3 2 60 60 VAL HG11 H 1 0.677 0.011 . 2 . . . . 60 VAL HG1# . 7125 1 1906 . 3 2 60 60 VAL HG12 H 1 0.677 0.011 . 2 . . . . 60 VAL HG1# . 7125 1 1907 . 3 2 60 60 VAL HG13 H 1 0.677 0.011 . 2 . . . . 60 VAL HG1# . 7125 1 1908 . 3 2 60 60 VAL HG21 H 1 0.414 0.013 . 2 . . . . 60 VAL HG2# . 7125 1 1909 . 3 2 60 60 VAL HG22 H 1 0.414 0.013 . 2 . . . . 60 VAL HG2# . 7125 1 1910 . 3 2 60 60 VAL HG23 H 1 0.414 0.013 . 2 . . . . 60 VAL HG2# . 7125 1 1911 . 3 2 60 60 VAL CA C 13 66.514 0.019 . 1 . . . . 60 VAL CA . 7125 1 1912 . 3 2 60 60 VAL CB C 13 31.561 0.031 . 1 . . . . 60 VAL CB . 7125 1 1913 . 3 2 60 60 VAL CG1 C 13 23.475 0.031 . 2 . . . . 60 VAL CG1 . 7125 1 1914 . 3 2 60 60 VAL CG2 C 13 20.603 0.070 . 2 . . . . 60 VAL CG2 . 7125 1 1915 . 3 2 60 60 VAL N N 15 122.434 0.082 . 1 . . . . 60 VAL N . 7125 1 1916 . 3 2 61 61 LYS H H 1 7.346 0.013 . 1 . . . . 61 LYS HN . 7125 1 1917 . 3 2 61 61 LYS HA H 1 3.557 0.015 . 1 . . . . 61 LYS HA . 7125 1 1918 . 3 2 61 61 LYS HB2 H 1 1.734 0.003 . 2 . . . . 61 LYS HB2 . 7125 1 1919 . 3 2 61 61 LYS HG2 H 1 1.389 0.012 . 2 . . . . 61 LYS HG2 . 7125 1 1920 . 3 2 61 61 LYS HD2 H 1 1.550 0.000 . 2 . . . . 61 LYS HD2 . 7125 1 1921 . 3 2 61 61 LYS HE2 H 1 2.871 0.010 . 2 . . . . 61 LYS HE2 . 7125 1 1922 . 3 2 61 61 LYS CA C 13 60.458 0.104 . 1 . . . . 61 LYS CA . 7125 1 1923 . 3 2 61 61 LYS CB C 13 32.257 0.030 . 1 . . . . 61 LYS CB . 7125 1 1924 . 3 2 61 61 LYS CG C 13 25.275 0.070 . 1 . . . . 61 LYS CG . 7125 1 1925 . 3 2 61 61 LYS CD C 13 29.398 0.002 . 1 . . . . 61 LYS CD . 7125 1 1926 . 3 2 61 61 LYS CE C 13 41.971 0.013 . 1 . . . . 61 LYS CE . 7125 1 1927 . 3 2 61 61 LYS N N 15 118.639 0.037 . 1 . . . . 61 LYS N . 7125 1 1928 . 3 2 62 62 ALA H H 1 7.854 0.011 . 1 . . . . 62 ALA HN . 7125 1 1929 . 3 2 62 62 ALA HA H 1 3.992 0.011 . 1 . . . . 62 ALA HA . 7125 1 1930 . 3 2 62 62 ALA HB1 H 1 1.385 0.002 . 1 . . . . 62 ALA HB# . 7125 1 1931 . 3 2 62 62 ALA HB2 H 1 1.385 0.002 . 1 . . . . 62 ALA HB# . 7125 1 1932 . 3 2 62 62 ALA HB3 H 1 1.385 0.002 . 1 . . . . 62 ALA HB# . 7125 1 1933 . 3 2 62 62 ALA CA C 13 54.988 0.081 . 1 . . . . 62 ALA CA . 7125 1 1934 . 3 2 62 62 ALA CB C 13 18.407 0.003 . 1 . . . . 62 ALA CB . 7125 1 1935 . 3 2 62 62 ALA N N 15 120.836 0.064 . 1 . . . . 62 ALA N . 7125 1 1936 . 3 2 63 63 HIS H H 1 8.339 0.002 . 1 . . . . 63 HIS HN . 7125 1 1937 . 3 2 63 63 HIS HA H 1 3.869 0.020 . 1 . . . . 63 HIS HA . 7125 1 1938 . 3 2 63 63 HIS HB2 H 1 2.901 0.000 . 2 . . . . 63 HIS HB2 . 7125 1 1939 . 3 2 63 63 HIS HB3 H 1 2.219 0.014 . 2 . . . . 63 HIS HB3 . 7125 1 1940 . 3 2 63 63 HIS HD2 H 1 4.568 0.000 . 1 . . . . 63 HIS HD2 . 7125 1 1941 . 3 2 63 63 HIS HE1 H 1 8.379 0.005 . 1 . . . . 63 HIS HE1 . 7125 1 1942 . 3 2 63 63 HIS CA C 13 59.950 0.091 . 1 . . . . 63 HIS CA . 7125 1 1943 . 3 2 63 63 HIS CB C 13 31.359 0.088 . 1 . . . . 63 HIS CB . 7125 1 1944 . 3 2 63 63 HIS CD2 C 13 114.964 0.000 . 1 . . . . 63 HIS CD2 . 7125 1 1945 . 3 2 63 63 HIS CE1 C 13 138.660 0.008 . 1 . . . . 63 HIS CE1 . 7125 1 1946 . 3 2 63 63 HIS N N 15 120.455 0.038 . 1 . . . . 63 HIS N . 7125 1 1947 . 3 2 64 64 GLY H H 1 8.214 0.012 . 1 . . . . 64 GLY HN . 7125 1 1948 . 3 2 64 64 GLY HA2 H 1 2.998 0.001 . 2 . . . . 64 GLY HA2 . 7125 1 1949 . 3 2 64 64 GLY HA3 H 1 2.562 0.000 . 2 . . . . 64 GLY HA3 . 7125 1 1950 . 3 2 64 64 GLY CA C 13 46.131 0.154 . 1 . . . . 64 GLY CA . 7125 1 1951 . 3 2 64 64 GLY N N 15 105.417 0.086 . 1 . . . . 64 GLY N . 7125 1 1952 . 3 2 65 65 LYS H H 1 7.098 0.012 . 1 . . . . 65 LYS HN . 7125 1 1953 . 3 2 65 65 LYS HA H 1 4.071 0.038 . 1 . . . . 65 LYS HA . 7125 1 1954 . 3 2 65 65 LYS HB2 H 1 1.865 0.033 . 2 . . . . 65 LYS HB2 . 7125 1 1955 . 3 2 65 65 LYS HB3 H 1 1.751 0.000 . 2 . . . . 65 LYS HB3 . 7125 1 1956 . 3 2 65 65 LYS HG2 H 1 1.537 0.000 . 2 . . . . 65 LYS HG2 . 7125 1 1957 . 3 2 65 65 LYS HD2 H 1 1.659 0.000 . 2 . . . . 65 LYS HD2 . 7125 1 1958 . 3 2 65 65 LYS HE2 H 1 2.917 0.000 . 2 . . . . 65 LYS HE2 . 7125 1 1959 . 3 2 65 65 LYS CA C 13 60.149 0.059 . 1 . . . . 65 LYS CA . 7125 1 1960 . 3 2 65 65 LYS CB C 13 32.247 0.075 . 1 . . . . 65 LYS CB . 7125 1 1961 . 3 2 65 65 LYS CG C 13 25.612 0.000 . 1 . . . . 65 LYS CG . 7125 1 1962 . 3 2 65 65 LYS CD C 13 29.655 0.000 . 1 . . . . 65 LYS CD . 7125 1 1963 . 3 2 65 65 LYS CE C 13 42.303 0.000 . 1 . . . . 65 LYS CE . 7125 1 1964 . 3 2 65 65 LYS N N 15 120.844 0.060 . 1 . . . . 65 LYS N . 7125 1 1965 . 3 2 66 66 LYS H H 1 6.966 0.011 . 1 . . . . 66 LYS HN . 7125 1 1966 . 3 2 66 66 LYS HA H 1 4.169 0.004 . 1 . . . . 66 LYS HA . 7125 1 1967 . 3 2 66 66 LYS HB2 H 1 1.927 0.000 . 2 . . . . 66 LYS HB2 . 7125 1 1968 . 3 2 66 66 LYS HB3 H 1 1.540 0.000 . 2 . . . . 66 LYS HB3 . 7125 1 1969 . 3 2 66 66 LYS HG2 H 1 1.561 0.010 . 2 . . . . 66 LYS HG2 . 7125 1 1970 . 3 2 66 66 LYS HD2 H 1 1.908 0.000 . 2 . . . . 66 LYS HD2 . 7125 1 1971 . 3 2 66 66 LYS HD3 H 1 1.758 0.000 . 2 . . . . 66 LYS HD3 . 7125 1 1972 . 3 2 66 66 LYS HE2 H 1 3.114 0.000 . 2 . . . . 66 LYS HE2 . 7125 1 1973 . 3 2 66 66 LYS CA C 13 59.581 0.033 . 1 . . . . 66 LYS CA . 7125 1 1974 . 3 2 66 66 LYS CB C 13 31.892 0.175 . 1 . . . . 66 LYS CB . 7125 1 1975 . 3 2 66 66 LYS CG C 13 25.689 0.043 . 1 . . . . 66 LYS CG . 7125 1 1976 . 3 2 66 66 LYS CD C 13 30.127 0.132 . 1 . . . . 66 LYS CD . 7125 1 1977 . 3 2 66 66 LYS CE C 13 42.395 0.000 . 1 . . . . 66 LYS CE . 7125 1 1978 . 3 2 66 66 LYS N N 15 120.201 0.048 . 1 . . . . 66 LYS N . 7125 1 1979 . 3 2 67 67 VAL H H 1 7.312 0.008 . 1 . . . . 67 VAL HN . 7125 1 1980 . 3 2 67 67 VAL HA H 1 3.523 0.006 . 1 . . . . 67 VAL HA . 7125 1 1981 . 3 2 67 67 VAL HB H 1 1.431 0.004 . 1 . . . . 67 VAL HB . 7125 1 1982 . 3 2 67 67 VAL HG11 H 1 -1.827 0.013 . 2 . . . . 67 VAL HG1# . 7125 1 1983 . 3 2 67 67 VAL HG12 H 1 -1.827 0.013 . 2 . . . . 67 VAL HG1# . 7125 1 1984 . 3 2 67 67 VAL HG13 H 1 -1.827 0.013 . 2 . . . . 67 VAL HG1# . 7125 1 1985 . 3 2 67 67 VAL HG21 H 1 0.179 0.006 . 2 . . . . 67 VAL HG2# . 7125 1 1986 . 3 2 67 67 VAL HG22 H 1 0.179 0.006 . 2 . . . . 67 VAL HG2# . 7125 1 1987 . 3 2 67 67 VAL HG23 H 1 0.179 0.006 . 2 . . . . 67 VAL HG2# . 7125 1 1988 . 3 2 67 67 VAL CA C 13 66.721 0.092 . 1 . . . . 67 VAL CA . 7125 1 1989 . 3 2 67 67 VAL CB C 13 30.801 0.141 . 1 . . . . 67 VAL CB . 7125 1 1990 . 3 2 67 67 VAL CG1 C 13 21.606 0.017 . 2 . . . . 67 VAL CG1 . 7125 1 1991 . 3 2 67 67 VAL CG2 C 13 19.856 0.045 . 2 . . . . 67 VAL CG2 . 7125 1 1992 . 3 2 67 67 VAL N N 15 121.046 0.037 . 1 . . . . 67 VAL N . 7125 1 1993 . 3 2 68 68 LEU H H 1 8.198 0.009 . 1 . . . . 68 LEU HN . 7125 1 1994 . 3 2 68 68 LEU HA H 1 4.386 0.004 . 1 . . . . 68 LEU HA . 7125 1 1995 . 3 2 68 68 LEU HB2 H 1 1.533 0.012 . 2 . . . . 68 LEU HB2 . 7125 1 1996 . 3 2 68 68 LEU HB3 H 1 1.992 0.008 . 2 . . . . 68 LEU HB3 . 7125 1 1997 . 3 2 68 68 LEU HG H 1 1.986 0.001 . 1 . . . . 68 LEU HG . 7125 1 1998 . 3 2 68 68 LEU HD11 H 1 0.743 0.009 . 2 . . . . 68 LEU HD1 . 7125 1 1999 . 3 2 68 68 LEU HD12 H 1 0.743 0.009 . 2 . . . . 68 LEU HD1 . 7125 1 2000 . 3 2 68 68 LEU HD13 H 1 0.743 0.009 . 2 . . . . 68 LEU HD1 . 7125 1 2001 . 3 2 68 68 LEU HD21 H 1 0.755 0.008 . 2 . . . . 68 LEU HD2 . 7125 1 2002 . 3 2 68 68 LEU HD22 H 1 0.755 0.008 . 2 . . . . 68 LEU HD2 . 7125 1 2003 . 3 2 68 68 LEU HD23 H 1 0.755 0.008 . 2 . . . . 68 LEU HD2 . 7125 1 2004 . 3 2 68 68 LEU CA C 13 58.332 0.048 . 1 . . . . 68 LEU CA . 7125 1 2005 . 3 2 68 68 LEU CB C 13 41.390 0.042 . 1 . . . . 68 LEU CB . 7125 1 2006 . 3 2 68 68 LEU CG C 13 27.442 0.058 . 1 . . . . 68 LEU CG . 7125 1 2007 . 3 2 68 68 LEU CD1 C 13 25.257 0.053 . 2 . . . . 68 LEU CD1 . 7125 1 2008 . 3 2 68 68 LEU CD2 C 13 25.402 0.105 . 2 . . . . 68 LEU CD2 . 7125 1 2009 . 3 2 68 68 LEU N N 15 119.594 0.079 . 1 . . . . 68 LEU N . 7125 1 2010 . 3 2 69 69 GLY CA C 13 47.475 0.027 . 1 . . . . 69 G69 CA . 7125 1 2011 . 3 2 69 69 GLY HA2 H 1 4.152 0.011 . 2 . . . . 69 G69 HA2 . 7125 1 2012 . 3 2 69 69 GLY H H 1 8.373 0.012 . 1 . . . . 69 G69 HN . 7125 1 2013 . 3 2 69 69 GLY N N 15 107.883 0.045 . 1 . . . . 69 G69 N . 7125 1 2014 . 3 2 70 70 ALA H H 1 8.135 0.006 . 1 . . . . 70 ALA HN . 7125 1 2015 . 3 2 70 70 ALA HA H 1 4.843 0.023 . 1 . . . . 70 ALA HA . 7125 1 2016 . 3 2 70 70 ALA HB1 H 1 2.415 0.005 . 1 . . . . 70 ALA HB# . 7125 1 2017 . 3 2 70 70 ALA HB2 H 1 2.415 0.005 . 1 . . . . 70 ALA HB# . 7125 1 2018 . 3 2 70 70 ALA HB3 H 1 2.415 0.005 . 1 . . . . 70 ALA HB# . 7125 1 2019 . 3 2 70 70 ALA CA C 13 55.321 0.000 . 1 . . . . 70 ALA CA . 7125 1 2020 . 3 2 70 70 ALA CB C 13 19.446 0.041 . 1 . . . . 70 ALA CB . 7125 1 2021 . 3 2 70 70 ALA N N 15 125.146 0.084 . 1 . . . . 70 ALA N . 7125 1 2022 . 3 2 71 71 PHE H H 1 8.532 0.005 . 1 . . . . 71 PHE HN . 7125 1 2023 . 3 2 71 71 PHE HA H 1 4.209 0.005 . 1 . . . . 71 PHE HA . 7125 1 2024 . 3 2 71 71 PHE HB2 H 1 3.091 0.018 . 2 . . . . 71 PHE HB2 . 7125 1 2025 . 3 2 71 71 PHE HB3 H 1 3.620 0.001 . 2 . . . . 71 PHE HB3 . 7125 1 2026 . 3 2 71 71 PHE HD1 H 1 7.303 0.001 . 3 . . . . 71 PHE HD1 . 7125 1 2027 . 3 2 71 71 PHE CA C 13 64.731 0.056 . 1 . . . . 71 PHE CA . 7125 1 2028 . 3 2 71 71 PHE CB C 13 40.003 0.026 . 1 . . . . 71 PHE CB . 7125 1 2029 . 3 2 71 71 PHE CD1 C 13 131.800 0.011 . 3 . . . . 71 PHE CD1 . 7125 1 2030 . 3 2 71 71 PHE N N 15 118.247 0.048 . 1 . . . . 71 PHE N . 7125 1 2031 . 3 2 72 72 SER H H 1 9.179 0.006 . 1 . . . . 72 SER HN . 7125 1 2032 . 3 2 72 72 SER HA H 1 4.131 0.018 . 1 . . . . 72 SER HA . 7125 1 2033 . 3 2 72 72 SER HB2 H 1 4.541 0.046 . 2 . . . . 72 SER HB2 . 7125 1 2034 . 3 2 72 72 SER HB3 H 1 4.252 0.054 . 2 . . . . 72 SER HB3 . 7125 1 2035 . 3 2 72 72 SER CA C 13 62.636 0.071 . 1 . . . . 72 SER CA . 7125 1 2036 . 3 2 72 72 SER CB C 13 62.996 0.100 . 1 . . . . 72 SER CB . 7125 1 2037 . 3 2 72 72 SER N N 15 116.183 0.069 . 1 . . . . 72 SER N . 7125 1 2038 . 3 2 73 73 ASP H H 1 8.313 0.015 . 1 . . . . 73 ASP HN . 7125 1 2039 . 3 2 73 73 ASP HA H 1 4.600 0.004 . 1 . . . . 73 ASP HA . 7125 1 2040 . 3 2 73 73 ASP HB2 H 1 3.011 0.009 . 2 . . . . 73 ASP HB2 . 7125 1 2041 . 3 2 73 73 ASP HB3 H 1 2.649 0.003 . 2 . . . . 73 ASP HB3 . 7125 1 2042 . 3 2 73 73 ASP CA C 13 57.561 0.021 . 1 . . . . 73 ASP CA . 7125 1 2043 . 3 2 73 73 ASP CB C 13 40.450 0.060 . 1 . . . . 73 ASP CB . 7125 1 2044 . 3 2 73 73 ASP N N 15 123.788 0.052 . 1 . . . . 73 ASP N . 7125 1 2045 . 3 2 74 74 GLY H H 1 8.591 0.006 . 1 . . . . 74 GLY HN . 7125 1 2046 . 3 2 74 74 GLY HA2 H 1 3.588 0.006 . 2 . . . . 74 GLY HA2 . 7125 1 2047 . 3 2 74 74 GLY CA C 13 47.903 0.077 . 1 . . . . 74 GLY CA . 7125 1 2048 . 3 2 74 74 GLY N N 15 108.305 0.067 . 1 . . . . 74 GLY N . 7125 1 2049 . 3 2 75 75 LEU H H 1 8.079 0.008 . 1 . . . . 75 LEU HN . 7125 1 2050 . 3 2 75 75 LEU HA H 1 3.714 0.027 . 1 . . . . 75 LEU HA . 7125 1 2051 . 3 2 75 75 LEU HB2 H 1 1.556 0.009 . 2 . . . . 75 LEU HB2 . 7125 1 2052 . 3 2 75 75 LEU HB3 H 1 1.171 0.015 . 2 . . . . 75 LEU HB3 . 7125 1 2053 . 3 2 75 75 LEU HG H 1 1.270 0.007 . 1 . . . . 75 LEU HG . 7125 1 2054 . 3 2 75 75 LEU HD11 H 1 0.348 0.004 . 2 . . . . 75 LEU HD1 . 7125 1 2055 . 3 2 75 75 LEU HD12 H 1 0.348 0.004 . 2 . . . . 75 LEU HD1 . 7125 1 2056 . 3 2 75 75 LEU HD13 H 1 0.348 0.004 . 2 . . . . 75 LEU HD1 . 7125 1 2057 . 3 2 75 75 LEU HD21 H 1 -0.110 0.011 . 2 . . . . 75 LEU HD2 . 7125 1 2058 . 3 2 75 75 LEU HD22 H 1 -0.110 0.011 . 2 . . . . 75 LEU HD2 . 7125 1 2059 . 3 2 75 75 LEU HD23 H 1 -0.110 0.011 . 2 . . . . 75 LEU HD2 . 7125 1 2060 . 3 2 75 75 LEU CA C 13 57.733 0.034 . 1 . . . . 75 LEU CA . 7125 1 2061 . 3 2 75 75 LEU CB C 13 41.797 0.151 . 1 . . . . 75 LEU CB . 7125 1 2062 . 3 2 75 75 LEU CG C 13 27.270 0.028 . 1 . . . . 75 LEU CG . 7125 1 2063 . 3 2 75 75 LEU CD1 C 13 24.481 0.020 . 2 . . . . 75 LEU CD1 . 7125 1 2064 . 3 2 75 75 LEU CD2 C 13 23.672 0.045 . 2 . . . . 75 LEU CD2 . 7125 1 2065 . 3 2 75 75 LEU N N 15 119.879 0.095 . 1 . . . . 75 LEU N . 7125 1 2066 . 3 2 76 76 ALA H H 1 7.364 0.009 . 1 . . . . 76 ALA HN . 7125 1 2067 . 3 2 76 76 ALA HA H 1 4.130 0.014 . 1 . . . . 76 ALA HA . 7125 1 2068 . 3 2 76 76 ALA HB1 H 1 1.284 0.004 . 1 . . . . 76 ALA HB# . 7125 1 2069 . 3 2 76 76 ALA HB2 H 1 1.284 0.004 . 1 . . . . 76 ALA HB# . 7125 1 2070 . 3 2 76 76 ALA HB3 H 1 1.284 0.004 . 1 . . . . 76 ALA HB# . 7125 1 2071 . 3 2 76 76 ALA CA C 13 52.610 0.112 . 1 . . . . 76 ALA CA . 7125 1 2072 . 3 2 76 76 ALA CB C 13 19.031 0.015 . 1 . . . . 76 ALA CB . 7125 1 2073 . 3 2 76 76 ALA N N 15 118.691 0.049 . 1 . . . . 76 ALA N . 7125 1 2074 . 3 2 77 77 HIS H H 1 7.659 0.008 . 1 . . . . 77 HIS HN . 7125 1 2075 . 3 2 77 77 HIS HA H 1 4.901 0.024 . 1 . . . . 77 HIS HA . 7125 1 2076 . 3 2 77 77 HIS HB2 H 1 3.229 0.007 . 2 . . . . 77 HIS HB2 . 7125 1 2077 . 3 2 77 77 HIS HB3 H 1 2.727 0.019 . 2 . . . . 77 HIS HB3 . 7125 1 2078 . 3 2 77 77 HIS HD2 H 1 7.362 0.004 . 1 . . . . 77 HIS HD2 . 7125 1 2079 . 3 2 77 77 HIS HE1 H 1 8.422 0.001 . 1 . . . . 77 HIS HE1 . 7125 1 2080 . 3 2 77 77 HIS CA C 13 54.503 0.085 . 1 . . . . 77 HIS CA . 7125 1 2081 . 3 2 77 77 HIS CB C 13 29.682 0.036 . 1 . . . . 77 HIS CB . 7125 1 2082 . 3 2 77 77 HIS CD2 C 13 121.407 0.030 . 1 . . . . 77 HIS CD2 . 7125 1 2083 . 3 2 77 77 HIS CE1 C 13 136.371 0.009 . 1 . . . . 77 HIS CE1 . 7125 1 2084 . 3 2 77 77 HIS N N 15 118.360 0.036 . 1 . . . . 77 HIS N . 7125 1 2085 . 3 2 78 78 LEU H H 1 7.802 0.007 . 1 . . . . 78 LEU HN . 7125 1 2086 . 3 2 78 78 LEU HA H 1 3.875 0.013 . 1 . . . . 78 LEU HA . 7125 1 2087 . 3 2 78 78 LEU HB2 H 1 1.623 0.033 . 2 . . . . 78 LEU HB2 . 7125 1 2088 . 3 2 78 78 LEU HG H 1 2.053 0.014 . 1 . . . . 78 LEU HG . 7125 1 2089 . 3 2 78 78 LEU HD11 H 1 0.804 0.023 . 2 . . . . 78 LEU HD1 . 7125 1 2090 . 3 2 78 78 LEU HD12 H 1 0.804 0.023 . 2 . . . . 78 LEU HD1 . 7125 1 2091 . 3 2 78 78 LEU HD13 H 1 0.804 0.023 . 2 . . . . 78 LEU HD1 . 7125 1 2092 . 3 2 78 78 LEU HD21 H 1 0.826 0.004 . 2 . . . . 78 LEU HD2 . 7125 1 2093 . 3 2 78 78 LEU HD22 H 1 0.826 0.004 . 2 . . . . 78 LEU HD2 . 7125 1 2094 . 3 2 78 78 LEU HD23 H 1 0.826 0.004 . 2 . . . . 78 LEU HD2 . 7125 1 2095 . 3 2 78 78 LEU CA C 13 58.240 0.094 . 1 . . . . 78 LEU CA . 7125 1 2096 . 3 2 78 78 LEU CB C 13 42.070 0.006 . 1 . . . . 78 LEU CB . 7125 1 2097 . 3 2 78 78 LEU CG C 13 26.515 0.055 . 1 . . . . 78 LEU CG . 7125 1 2098 . 3 2 78 78 LEU CD1 C 13 26.032 0.020 . 2 . . . . 78 LEU CD1 . 7125 1 2099 . 3 2 78 78 LEU CD2 C 13 24.501 0.097 . 2 . . . . 78 LEU CD2 . 7125 1 2100 . 3 2 78 78 LEU N N 15 120.943 0.052 . 1 . . . . 78 LEU N . 7125 1 2101 . 3 2 79 79 ASP H H 1 8.596 0.006 . 1 . . . . 79 ASP HN . 7125 1 2102 . 3 2 79 79 ASP HA H 1 4.497 0.004 . 1 . . . . 79 ASP HA . 7125 1 2103 . 3 2 79 79 ASP HB2 H 1 2.706 0.007 . 2 . . . . 79 ASP HB2 . 7125 1 2104 . 3 2 79 79 ASP CA C 13 54.183 0.009 . 1 . . . . 79 ASP CA . 7125 1 2105 . 3 2 79 79 ASP CB C 13 40.462 0.082 . 1 . . . . 79 ASP CB . 7125 1 2106 . 3 2 79 79 ASP N N 15 114.595 0.056 . 1 . . . . 79 ASP N . 7125 1 2107 . 3 2 80 80 ASN H H 1 8.105 0.010 . 1 . . . . 80 ASN HN . 7125 1 2108 . 3 2 80 80 ASN HA H 1 5.109 0.017 . 1 . . . . 80 ASN HA . 7125 1 2109 . 3 2 80 80 ASN HB3 H 1 2.606 0.004 . 2 . . . . 80 ASN HB3 . 7125 1 2110 . 3 2 80 80 ASN CA C 13 52.014 0.021 . 1 . . . . 80 ASN CA . 7125 1 2111 . 3 2 80 80 ASN CB C 13 38.174 0.003 . 1 . . . . 80 ASN CB . 7125 1 2112 . 3 2 80 80 ASN N N 15 119.150 0.047 . 1 . . . . 80 ASN N . 7125 1 2113 . 3 2 81 81 LEU H H 1 8.537 0.007 . 1 . . . . 81 LEU HN . 7125 1 2114 . 3 2 81 81 LEU HA H 1 3.958 0.026 . 1 . . . . 81 LEU HA . 7125 1 2115 . 3 2 81 81 LEU HD11 H 1 0.840 0.006 . 2 . . . . 81 LEU HD1 . 7125 1 2116 . 3 2 81 81 LEU HD12 H 1 0.840 0.006 . 2 . . . . 81 LEU HD1 . 7125 1 2117 . 3 2 81 81 LEU HD13 H 1 0.840 0.006 . 2 . . . . 81 LEU HD1 . 7125 1 2118 . 3 2 81 81 LEU HD21 H 1 0.808 0.031 . 2 . . . . 81 LEU HD2 . 7125 1 2119 . 3 2 81 81 LEU HD22 H 1 0.808 0.031 . 2 . . . . 81 LEU HD2 . 7125 1 2120 . 3 2 81 81 LEU HD23 H 1 0.808 0.031 . 2 . . . . 81 LEU HD2 . 7125 1 2121 . 3 2 81 81 LEU CA C 13 58.593 0.041 . 1 . . . . 81 LEU CA . 7125 1 2122 . 3 2 81 81 LEU CD1 C 13 24.623 0.000 . 2 . . . . 81 LEU CD1 . 7125 1 2123 . 3 2 81 81 LEU CD2 C 13 26.134 0.059 . 2 . . . . 81 LEU CD2 . 7125 1 2124 . 3 2 82 82 LYS H H 1 8.658 0.005 . 1 . . . . 82 LYS HN . 7125 1 2125 . 3 2 82 82 LYS HA H 1 3.626 0.002 . 1 . . . . 82 LYS HA . 7125 1 2126 . 3 2 82 82 LYS HB2 H 1 1.360 0.011 . 2 . . . . 82 LYS HB2 . 7125 1 2127 . 3 2 82 82 LYS HB3 H 1 1.651 0.005 . 2 . . . . 82 LYS HB3 . 7125 1 2128 . 3 2 82 82 LYS HG2 H 1 1.147 0.010 . 2 . . . . 82 LYS HG2 . 7125 1 2129 . 3 2 82 82 LYS HG3 H 1 0.829 0.007 . 2 . . . . 82 LYS HG3 . 7125 1 2130 . 3 2 82 82 LYS HD2 H 1 1.244 0.002 . 2 . . . . 82 LYS HD2 . 7125 1 2131 . 3 2 82 82 LYS CA C 13 60.995 0.012 . 1 . . . . 82 LYS CA . 7125 1 2132 . 3 2 82 82 LYS CB C 13 31.619 0.033 . 1 . . . . 82 LYS CB . 7125 1 2133 . 3 2 82 82 LYS CG C 13 25.751 0.065 . 1 . . . . 82 LYS CG . 7125 1 2134 . 3 2 82 82 LYS CD C 13 29.321 0.055 . 1 . . . . 82 LYS CD . 7125 1 2135 . 3 2 82 82 LYS N N 15 118.370 0.068 . 1 . . . . 82 LYS N . 7125 1 2136 . 3 2 83 83 GLY H H 1 7.510 0.006 . 1 . . . . 83 GLY HN . 7125 1 2137 . 3 2 83 83 GLY HA2 H 1 3.789 0.000 . 2 . . . . 83 GLY HA2 . 7125 1 2138 . 3 2 83 83 GLY CA C 13 47.046 0.000 . 1 . . . . 83 GLY CA . 7125 1 2139 . 3 2 83 83 GLY N N 15 104.045 0.072 . 1 . . . . 83 GLY N . 7125 1 2140 . 3 2 84 84 THR H H 1 7.577 0.018 . 1 . . . . 84 THR HN . 7125 1 2141 . 3 2 84 84 THR HA H 1 3.704 0.005 . 1 . . . . 84 THR HA . 7125 1 2142 . 3 2 84 84 THR HB H 1 3.771 0.012 . 1 . . . . 84 THR HB . 7125 1 2143 . 3 2 84 84 THR HG21 H 1 0.494 0.007 . 1 . . . . 84 THR HG2# . 7125 1 2144 . 3 2 84 84 THR HG22 H 1 0.494 0.007 . 1 . . . . 84 THR HG2# . 7125 1 2145 . 3 2 84 84 THR HG23 H 1 0.494 0.007 . 1 . . . . 84 THR HG2# . 7125 1 2146 . 3 2 84 84 THR CA C 13 66.407 0.035 . 1 . . . . 84 THR CA . 7125 1 2147 . 3 2 84 84 THR CB C 13 68.924 0.047 . 1 . . . . 84 THR CB . 7125 1 2148 . 3 2 84 84 THR CG2 C 13 20.478 0.038 . 1 . . . . 84 THR CG2 . 7125 1 2149 . 3 2 84 84 THR N N 15 118.273 0.028 . 1 . . . . 84 THR N . 7125 1 2150 . 3 2 85 85 PHE H H 1 7.704 0.013 . 1 . . . . 85 PHE HN . 7125 1 2151 . 3 2 85 85 PHE HA H 1 4.671 0.009 . 1 . . . . 85 PHE HA . 7125 1 2152 . 3 2 85 85 PHE HB2 H 1 3.111 0.000 . 2 . . . . 85 PHE HB2 . 7125 1 2153 . 3 2 85 85 PHE HB3 H 1 2.606 0.000 . 2 . . . . 85 PHE HB3 . 7125 1 2154 . 3 2 85 85 PHE HD1 H 1 7.197 0.005 . 3 . . . . 85 PHE HD1 . 7125 1 2155 . 3 2 85 85 PHE HE1 H 1 7.193 0.002 . 3 . . . . 85 PHE HE1 . 7125 1 2156 . 3 2 85 85 PHE CA C 13 58.195 0.067 . 1 . . . . 85 PHE CA . 7125 1 2157 . 3 2 85 85 PHE CB C 13 38.347 0.005 . 1 . . . . 85 PHE CB . 7125 1 2158 . 3 2 85 85 PHE CD1 C 13 130.775 0.083 . 3 . . . . 85 PHE CD1 . 7125 1 2159 . 3 2 85 85 PHE CE1 C 13 131.212 0.068 . 3 . . . . 85 PHE CE1 . 7125 1 2160 . 3 2 85 85 PHE N N 15 115.814 0.071 . 1 . . . . 85 PHE N . 7125 1 2161 . 3 2 86 86 ALA H H 1 7.114 0.005 . 1 . . . . 86 ALA HN . 7125 1 2162 . 3 2 86 86 ALA HA H 1 4.122 0.028 . 1 . . . . 86 ALA HA . 7125 1 2163 . 3 2 86 86 ALA HB1 H 1 1.528 0.009 . 1 . . . . 86 ALA HB# . 7125 1 2164 . 3 2 86 86 ALA HB2 H 1 1.528 0.009 . 1 . . . . 86 ALA HB# . 7125 1 2165 . 3 2 86 86 ALA HB3 H 1 1.528 0.009 . 1 . . . . 86 ALA HB# . 7125 1 2166 . 3 2 86 86 ALA CA C 13 57.366 0.106 . 1 . . . . 86 ALA CA . 7125 1 2167 . 3 2 86 86 ALA CB C 13 18.399 0.060 . 1 . . . . 86 ALA CB . 7125 1 2168 . 3 2 86 86 ALA N N 15 124.988 0.052 . 1 . . . . 86 ALA N . 7125 1 2169 . 3 2 87 87 THR H H 1 8.400 0.003 . 1 . . . . 87 THR HN . 7125 1 2170 . 3 2 87 87 THR HA H 1 3.937 0.014 . 1 . . . . 87 THR HA . 7125 1 2171 . 3 2 87 87 THR HB H 1 4.105 0.016 . 1 . . . . 87 THR HB . 7125 1 2172 . 3 2 87 87 THR HG21 H 1 1.159 0.000 . 1 . . . . 87 THR HG2# . 7125 1 2173 . 3 2 87 87 THR HG22 H 1 1.159 0.000 . 1 . . . . 87 THR HG2# . 7125 1 2174 . 3 2 87 87 THR HG23 H 1 1.159 0.000 . 1 . . . . 87 THR HG2# . 7125 1 2175 . 3 2 87 87 THR CA C 13 66.184 0.053 . 1 . . . . 87 THR CA . 7125 1 2176 . 3 2 87 87 THR CB C 13 68.135 0.038 . 1 . . . . 87 THR CB . 7125 1 2177 . 3 2 87 87 THR CG2 C 13 22.304 0.000 . 1 . . . . 87 THR CG2 . 7125 1 2178 . 3 2 87 87 THR N N 15 114.294 0.077 . 1 . . . . 87 THR N . 7125 1 2179 . 3 2 88 88 LEU H H 1 7.848 0.007 . 1 . . . . 88 LEU HN . 7125 1 2180 . 3 2 88 88 LEU HA H 1 3.570 0.030 . 1 . . . . 88 LEU HA . 7125 1 2181 . 3 2 88 88 LEU HB2 H 1 0.324 0.029 . 2 . . . . 88 LEU HB2 . 7125 1 2182 . 3 2 88 88 LEU HB3 H 1 1.486 0.003 . 2 . . . . 88 LEU HB3 . 7125 1 2183 . 3 2 88 88 LEU HG H 1 1.400 0.000 . 1 . . . . 88 LEU HG . 7125 1 2184 . 3 2 88 88 LEU HD11 H 1 0.975 0.003 . 2 . . . . 88 LEU HD1 . 7125 1 2185 . 3 2 88 88 LEU HD12 H 1 0.975 0.003 . 2 . . . . 88 LEU HD1 . 7125 1 2186 . 3 2 88 88 LEU HD13 H 1 0.975 0.003 . 2 . . . . 88 LEU HD1 . 7125 1 2187 . 3 2 88 88 LEU HD21 H 1 0.585 0.014 . 2 . . . . 88 LEU HD2 . 7125 1 2188 . 3 2 88 88 LEU HD22 H 1 0.585 0.014 . 2 . . . . 88 LEU HD2 . 7125 1 2189 . 3 2 88 88 LEU HD23 H 1 0.585 0.014 . 2 . . . . 88 LEU HD2 . 7125 1 2190 . 3 2 88 88 LEU CA C 13 56.942 0.107 . 1 . . . . 88 LEU CA . 7125 1 2191 . 3 2 88 88 LEU CB C 13 42.154 0.131 . 1 . . . . 88 LEU CB . 7125 1 2192 . 3 2 88 88 LEU CG C 13 26.611 0.000 . 1 . . . . 88 LEU CG . 7125 1 2193 . 3 2 88 88 LEU CD1 C 13 25.934 0.042 . 2 . . . . 88 LEU CD1 . 7125 1 2194 . 3 2 88 88 LEU CD2 C 13 23.718 0.047 . 2 . . . . 88 LEU CD2 . 7125 1 2195 . 3 2 88 88 LEU N N 15 123.344 0.041 . 1 . . . . 88 LEU N . 7125 1 2196 . 3 2 89 89 SER H H 1 8.990 0.007 . 1 . . . . 89 SER HN . 7125 1 2197 . 3 2 89 89 SER HA H 1 3.784 0.001 . 1 . . . . 89 SER HA . 7125 1 2198 . 3 2 89 89 SER HB3 H 1 3.816 0.003 . 2 . . . . 89 SER HB3 . 7125 1 2199 . 3 2 89 89 SER CA C 13 60.880 0.065 . 1 . . . . 89 SER CA . 7125 1 2200 . 3 2 89 89 SER CB C 13 64.094 0.147 . 1 . . . . 89 SER CB . 7125 1 2201 . 3 2 89 89 SER N N 15 119.729 0.059 . 1 . . . . 89 SER N . 7125 1 2202 . 3 2 90 90 GLU CA C 13 60.206 0.124 . 1 . . . . 90 E90 CA . 7125 1 2203 . 3 2 90 90 GLU CB C 13 29.301 0.041 . 1 . . . . 90 E90 CB . 7125 1 2204 . 3 2 90 90 GLU CG C 13 36.367 0.070 . 1 . . . . 90 E90 CG . 7125 1 2205 . 3 2 90 90 GLU HA H 1 3.538 0.016 . 1 . . . . 90 E90 HA . 7125 1 2206 . 3 2 90 90 GLU HB2 H 1 1.965 0.010 . 2 . . . . 90 E90 HB2 . 7125 1 2207 . 3 2 90 90 GLU HG2 H 1 2.271 0.011 . 2 . . . . 90 E90 HG2 . 7125 1 2208 . 3 2 90 90 GLU HG3 H 1 1.968 0.016 . 2 . . . . 90 E90 HG3 . 7125 1 2209 . 3 2 90 90 GLU H H 1 7.548 0.012 . 1 . . . . 90 E90 HN . 7125 1 2210 . 3 2 90 90 GLU N N 15 120.234 0.072 . 1 . . . . 90 E90 N . 7125 1 2211 . 3 2 91 91 LEU H H 1 7.253 0.010 . 1 . . . . 91 LEU HN . 7125 1 2212 . 3 2 91 91 LEU HA H 1 3.617 0.011 . 1 . . . . 91 LEU HA . 7125 1 2213 . 3 2 91 91 LEU HB2 H 1 1.342 0.000 . 2 . . . . 91 LEU HB2 . 7125 1 2214 . 3 2 91 91 LEU HB3 H 1 0.824 0.023 . 2 . . . . 91 LEU HB3 . 7125 1 2215 . 3 2 91 91 LEU HD11 H 1 0.530 0.019 . 2 . . . . 91 LEU HD1 . 7125 1 2216 . 3 2 91 91 LEU HD12 H 1 0.530 0.019 . 2 . . . . 91 LEU HD1 . 7125 1 2217 . 3 2 91 91 LEU HD13 H 1 0.530 0.019 . 2 . . . . 91 LEU HD1 . 7125 1 2218 . 3 2 91 91 LEU HD21 H 1 -0.096 0.007 . 2 . . . . 91 LEU HD2 . 7125 1 2219 . 3 2 91 91 LEU HD22 H 1 -0.096 0.007 . 2 . . . . 91 LEU HD2 . 7125 1 2220 . 3 2 91 91 LEU HD23 H 1 -0.096 0.007 . 2 . . . . 91 LEU HD2 . 7125 1 2221 . 3 2 91 91 LEU CA C 13 57.789 0.097 . 1 . . . . 91 LEU CA . 7125 1 2222 . 3 2 91 91 LEU CB C 13 41.719 0.069 . 1 . . . . 91 LEU CB . 7125 1 2223 . 3 2 91 91 LEU CD1 C 13 22.768 0.047 . 2 . . . . 91 LEU CD1 . 7125 1 2224 . 3 2 91 91 LEU CD2 C 13 26.137 0.056 . 2 . . . . 91 LEU CD2 . 7125 1 2225 . 3 2 91 91 LEU N N 15 117.386 0.034 . 1 . . . . 91 LEU N . 7125 1 2226 . 3 2 92 92 HIS H H 1 7.091 0.008 . 1 . . . . 92 HIS HN . 7125 1 2227 . 3 2 92 92 HIS HA H 1 2.627 0.001 . 1 . . . . 92 HIS HA . 7125 1 2228 . 3 2 92 92 HIS HD1 H 1 9.353 0.010 . 1 . . . . 92 HIS HD1 . 7125 1 2229 . 3 2 92 92 HIS HD2 H 1 0.889 0.000 . 1 . . . . 92 HIS HD2 . 7125 1 2230 . 3 2 92 92 HIS HE1 H 1 1.405 0.002 . 1 . . . . 92 HIS HE1 . 7125 1 2231 . 3 2 92 92 HIS CA C 13 60.597 0.006 . 1 . . . . 92 HIS CA . 7125 1 2232 . 3 2 92 92 HIS CD2 C 13 122.753 0.000 . 1 . . . . 92 HIS CD2 . 7125 1 2233 . 3 2 92 92 HIS CE1 C 13 132.239 0.016 . 1 . . . . 92 HIS CE1 . 7125 1 2234 . 3 2 92 92 HIS N N 15 112.027 0.044 . 1 . . . . 92 HIS N . 7125 1 2235 . 3 2 92 92 HIS ND1 N 15 163.539 0.042 . 1 . . . . 92 HIS ND1 . 7125 1 2236 . 3 2 93 93 CYS H H 1 7.910 0.014 . 1 . . . . 93 CYS HN . 7125 1 2237 . 3 2 93 93 CYS HA H 1 4.188 0.009 . 1 . . . . 93 CYS HA . 7125 1 2238 . 3 2 93 93 CYS HB3 H 1 1.982 0.000 . 2 . . . . 93 CYS HB3 . 7125 1 2239 . 3 2 93 93 CYS CA C 13 60.334 0.079 . 1 . . . . 93 CYS CA . 7125 1 2240 . 3 2 93 93 CYS CB C 13 28.144 0.000 . 1 . . . . 93 CYS CB . 7125 1 2241 . 3 2 93 93 CYS N N 15 114.878 0.043 . 1 . . . . 93 CYS N . 7125 1 2242 . 3 2 94 94 ASP H H 1 7.292 0.009 . 1 . . . . 94 ASP HN . 7125 1 2243 . 3 2 94 94 ASP HA H 1 4.267 0.010 . 1 . . . . 94 ASP HA . 7125 1 2244 . 3 2 94 94 ASP HB3 H 1 2.575 0.065 . 2 . . . . 94 ASP HB3 . 7125 1 2245 . 3 2 94 94 ASP CA C 13 56.785 0.088 . 1 . . . . 94 ASP CA . 7125 1 2246 . 3 2 94 94 ASP CB C 13 41.159 0.125 . 1 . . . . 94 ASP CB . 7125 1 2247 . 3 2 94 94 ASP N N 15 117.010 0.106 . 1 . . . . 94 ASP N . 7125 1 2248 . 3 2 95 95 LYS H H 1 6.826 0.010 . 1 . . . . 95 LYS HN . 7125 1 2249 . 3 2 95 95 LYS HA H 1 4.272 0.013 . 1 . . . . 95 LYS HA . 7125 1 2250 . 3 2 95 95 LYS HB2 H 1 1.893 0.017 . 2 . . . . 95 LYS HB2 . 7125 1 2251 . 3 2 95 95 LYS HG2 H 1 1.211 0.009 . 2 . . . . 95 LYS HG2 . 7125 1 2252 . 3 2 95 95 LYS HD2 H 1 1.487 0.000 . 2 . . . . 95 LYS HD2 . 7125 1 2253 . 3 2 95 95 LYS HE2 H 1 2.862 0.000 . 2 . . . . 95 LYS HE2 . 7125 1 2254 . 3 2 95 95 LYS CA C 13 57.590 0.002 . 1 . . . . 95 LYS CA . 7125 1 2255 . 3 2 95 95 LYS CB C 13 32.070 0.007 . 1 . . . . 95 LYS CB . 7125 1 2256 . 3 2 95 95 LYS CG C 13 25.297 0.043 . 1 . . . . 95 LYS CG . 7125 1 2257 . 3 2 95 95 LYS CD C 13 28.956 0.000 . 1 . . . . 95 LYS CD . 7125 1 2258 . 3 2 95 95 LYS CE C 13 42.230 0.000 . 1 . . . . 95 LYS CE . 7125 1 2259 . 3 2 95 95 LYS N N 15 115.242 0.046 . 1 . . . . 95 LYS N . 7125 1 2260 . 3 2 96 96 LEU H H 1 7.253 0.009 . 1 . . . . 96 LEU HN . 7125 1 2261 . 3 2 96 96 LEU HA H 1 4.199 0.003 . 1 . . . . 96 LEU HA . 7125 1 2262 . 3 2 96 96 LEU HG H 1 0.986 0.000 . 1 . . . . 96 LEU HG . 7125 1 2263 . 3 2 96 96 LEU HD11 H 1 0.928 0.020 . 2 . . . . 96 LEU HD1 . 7125 1 2264 . 3 2 96 96 LEU HD12 H 1 0.928 0.020 . 2 . . . . 96 LEU HD1 . 7125 1 2265 . 3 2 96 96 LEU HD13 H 1 0.928 0.020 . 2 . . . . 96 LEU HD1 . 7125 1 2266 . 3 2 96 96 LEU HD21 H 1 -0.690 0.016 . 2 . . . . 96 LEU HD2 . 7125 1 2267 . 3 2 96 96 LEU HD22 H 1 -0.690 0.016 . 2 . . . . 96 LEU HD2 . 7125 1 2268 . 3 2 96 96 LEU HD23 H 1 -0.690 0.016 . 2 . . . . 96 LEU HD2 . 7125 1 2269 . 3 2 96 96 LEU CA C 13 55.321 0.000 . 1 . . . . 96 LEU CA . 7125 1 2270 . 3 2 96 96 LEU CG C 13 25.861 0.000 . 1 . . . . 96 LEU CG . 7125 1 2271 . 3 2 96 96 LEU CD1 C 13 22.147 0.065 . 2 . . . . 96 LEU CD1 . 7125 1 2272 . 3 2 96 96 LEU CD2 C 13 24.575 0.067 . 2 . . . . 96 LEU CD2 . 7125 1 2273 . 3 2 96 96 LEU N N 15 114.337 0.063 . 1 . . . . 96 LEU N . 7125 1 2274 . 3 2 97 97 HIS H H 1 6.387 0.012 . 1 . . . . 97 HIS HN . 7125 1 2275 . 3 2 97 97 HIS HA H 1 4.505 0.010 . 1 . . . . 97 HIS HA . 7125 1 2276 . 3 2 97 97 HIS HB2 H 1 3.281 0.036 . 2 . . . . 97 HIS HB2 . 7125 1 2277 . 3 2 97 97 HIS HB3 H 1 3.695 0.013 . 2 . . . . 97 HIS HB3 . 7125 1 2278 . 3 2 97 97 HIS HD2 H 1 7.102 0.004 . 1 . . . . 97 HIS HD2 . 7125 1 2279 . 3 2 97 97 HIS HE1 H 1 8.323 0.005 . 1 . . . . 97 HIS HE1 . 7125 1 2280 . 3 2 97 97 HIS CA C 13 56.319 0.008 . 1 . . . . 97 HIS CA . 7125 1 2281 . 3 2 97 97 HIS CB C 13 26.443 0.103 . 1 . . . . 97 HIS CB . 7125 1 2282 . 3 2 97 97 HIS CD2 C 13 120.692 0.020 . 1 . . . . 97 HIS CD2 . 7125 1 2283 . 3 2 97 97 HIS CE1 C 13 137.103 0.011 . 1 . . . . 97 HIS CE1 . 7125 1 2284 . 3 2 97 97 HIS N N 15 110.856 0.055 . 1 . . . . 97 HIS N . 7125 1 2285 . 3 2 98 98 VAL H H 1 8.057 0.012 . 1 . . . . 98 VAL HN . 7125 1 2286 . 3 2 98 98 VAL HA H 1 3.813 0.007 . 1 . . . . 98 VAL HA . 7125 1 2287 . 3 2 98 98 VAL HB H 1 1.325 0.000 . 1 . . . . 98 VAL HB . 7125 1 2288 . 3 2 98 98 VAL HG11 H 1 0.633 0.008 . 2 . . . . 98 VAL HG1# . 7125 1 2289 . 3 2 98 98 VAL HG12 H 1 0.633 0.008 . 2 . . . . 98 VAL HG1# . 7125 1 2290 . 3 2 98 98 VAL HG13 H 1 0.633 0.008 . 2 . . . . 98 VAL HG1# . 7125 1 2291 . 3 2 98 98 VAL HG21 H 1 0.130 0.019 . 2 . . . . 98 VAL HG2# . 7125 1 2292 . 3 2 98 98 VAL HG22 H 1 0.130 0.019 . 2 . . . . 98 VAL HG2# . 7125 1 2293 . 3 2 98 98 VAL HG23 H 1 0.130 0.019 . 2 . . . . 98 VAL HG2# . 7125 1 2294 . 3 2 98 98 VAL CA C 13 62.774 0.001 . 1 . . . . 98 VAL CA . 7125 1 2295 . 3 2 98 98 VAL CB C 13 32.753 0.000 . 1 . . . . 98 VAL CB . 7125 1 2296 . 3 2 98 98 VAL CG1 C 13 21.765 0.070 . 2 . . . . 98 VAL CG1 . 7125 1 2297 . 3 2 98 98 VAL CG2 C 13 21.348 0.078 . 2 . . . . 98 VAL CG2 . 7125 1 2298 . 3 2 98 98 VAL N N 15 119.491 0.049 . 1 . . . . 98 VAL N . 7125 1 2299 . 3 2 99 99 ASP H H 1 9.297 0.012 . 1 . . . . 99 ASP HN . 7125 1 2300 . 3 2 99 99 ASP HA H 1 4.589 0.000 . 1 . . . . 99 ASP HA . 7125 1 2301 . 3 2 99 99 ASP HB2 H 1 2.721 0.000 . 2 . . . . 99 ASP HB2 . 7125 1 2302 . 3 2 99 99 ASP CA C 13 54.254 0.000 . 1 . . . . 99 ASP CA . 7125 1 2303 . 3 2 99 99 ASP CB C 13 43.365 0.000 . 1 . . . . 99 ASP CB . 7125 1 2304 . 3 2 99 99 ASP N N 15 130.974 0.056 . 1 . . . . 99 ASP N . 7125 1 2305 . 3 2 100 100 PRO HA H 1 3.503 0.004 . 1 . . . . 100 PRO HA . 7125 1 2306 . 3 2 100 100 PRO HB2 H 1 2.036 0.000 . 2 . . . . 100 PRO HB2 . 7125 1 2307 . 3 2 100 100 PRO HB3 H 1 2.162 0.000 . 2 . . . . 100 PRO HB3 . 7125 1 2308 . 3 2 100 100 PRO HD2 H 1 3.612 0.081 . 2 . . . . 100 PRO HD2 . 7125 1 2309 . 3 2 100 100 PRO HD3 H 1 3.311 0.002 . 2 . . . . 100 PRO HD3 . 7125 1 2310 . 3 2 100 100 PRO CA C 13 64.327 0.052 . 1 . . . . 100 PRO CA . 7125 1 2311 . 3 2 100 100 PRO CB C 13 32.340 0.000 . 1 . . . . 100 PRO CB . 7125 1 2312 . 3 2 100 100 PRO CD C 13 51.282 0.000 . 1 . . . . 100 PRO CD . 7125 1 2313 . 3 2 101 101 GLU H H 1 9.088 0.015 . 1 . . . . 101 GLU HN . 7125 1 2314 . 3 2 101 101 GLU HA H 1 4.261 0.020 . 1 . . . . 101 GLU HA . 7125 1 2315 . 3 2 101 101 GLU HB2 H 1 1.935 0.020 . 2 . . . . 101 GLU HB2 . 7125 1 2316 . 3 2 101 101 GLU HB3 H 1 2.182 0.000 . 2 . . . . 101 GLU HB3 . 7125 1 2317 . 3 2 101 101 GLU HG2 H 1 2.292 0.007 . 2 . . . . 101 GLU HG2 . 7125 1 2318 . 3 2 101 101 GLU HG3 H 1 2.726 0.003 . 2 . . . . 101 GLU HG3 . 7125 1 2319 . 3 2 101 101 GLU CA C 13 59.397 0.057 . 1 . . . . 101 GLU CA . 7125 1 2320 . 3 2 101 101 GLU CB C 13 29.005 0.034 . 1 . . . . 101 GLU CB . 7125 1 2321 . 3 2 101 101 GLU CG C 13 35.700 0.050 . 1 . . . . 101 GLU CG . 7125 1 2322 . 3 2 101 101 GLU N N 15 123.745 0.111 . 1 . . . . 101 GLU N . 7125 1 2323 . 3 2 102 102 ASN H H 1 8.200 0.009 . 1 . . . . 102 ASN HN . 7125 1 2324 . 3 2 102 102 ASN HA H 1 4.693 0.000 . 1 . . . . 102 ASN HA . 7125 1 2325 . 3 2 102 102 ASN CA C 13 56.774 0.000 . 1 . . . . 102 ASN CA . 7125 1 2326 . 3 2 102 102 ASN N N 15 112.413 0.072 . 1 . . . . 102 ASN N . 7125 1 2327 . 3 2 103 103 PHE H H 1 7.610 0.014 . 1 . . . . 103 PHE HN . 7125 1 2328 . 3 2 103 103 PHE HA H 1 5.471 0.000 . 1 . . . . 103 PHE HA . 7125 1 2329 . 3 2 103 103 PHE HB2 H 1 3.539 0.000 . 2 . . . . 103 PHE HB1 . 7125 1 2330 . 3 2 103 103 PHE CA C 13 59.056 0.000 . 1 . . . . 103 PHE CA . 7125 1 2331 . 3 2 103 103 PHE CB C 13 38.320 0.000 . 1 . . . . 103 PHE CB . 7125 1 2332 . 3 2 103 103 PHE N N 15 117.932 0.063 . 1 . . . . 103 PHE N . 7125 1 2333 . 3 2 104 104 ARG H H 1 7.349 0.007 . 1 . . . . 104 ARG HN . 7125 1 2334 . 3 2 104 104 ARG HA H 1 4.184 0.033 . 1 . . . . 104 ARG HA . 7125 1 2335 . 3 2 104 104 ARG HB2 H 1 2.097 0.047 . 2 . . . . 104 ARG HB2 . 7125 1 2336 . 3 2 104 104 ARG HG2 H 1 1.754 0.000 . 2 . . . . 104 ARG HG2 . 7125 1 2337 . 3 2 104 104 ARG HD2 H 1 3.277 0.000 . 2 . . . . 104 ARG HD2 . 7125 1 2338 . 3 2 104 104 ARG CA C 13 59.305 0.050 . 1 . . . . 104 ARG CA . 7125 1 2339 . 3 2 104 104 ARG CB C 13 30.029 0.033 . 1 . . . . 104 ARG CB . 7125 1 2340 . 3 2 104 104 ARG CG C 13 27.789 0.000 . 1 . . . . 104 ARG CG . 7125 1 2341 . 3 2 104 104 ARG CD C 13 43.495 0.000 . 1 . . . . 104 ARG CD . 7125 1 2342 . 3 2 104 104 ARG N N 15 119.480 0.044 . 1 . . . . 104 ARG N . 7125 1 2343 . 3 2 105 105 LEU H H 1 8.007 0.017 . 1 . . . . 105 LEU HN . 7125 1 2344 . 3 2 105 105 LEU HA H 1 4.119 0.017 . 1 . . . . 105 LEU HA . 7125 1 2345 . 3 2 105 105 LEU HB2 H 1 1.952 0.000 . 2 . . . . 105 LEU HB2 . 7125 1 2346 . 3 2 105 105 LEU HB3 H 1 1.024 0.000 . 2 . . . . 105 LEU HB3 . 7125 1 2347 . 3 2 105 105 LEU HG H 1 1.907 0.000 . 1 . . . . 105 LEU HG . 7125 1 2348 . 3 2 105 105 LEU HD11 H 1 0.647 0.011 . 2 . . . . 105 LEU HD1 . 7125 1 2349 . 3 2 105 105 LEU HD12 H 1 0.647 0.011 . 2 . . . . 105 LEU HD1 . 7125 1 2350 . 3 2 105 105 LEU HD13 H 1 0.647 0.011 . 2 . . . . 105 LEU HD1 . 7125 1 2351 . 3 2 105 105 LEU HD21 H 1 0.583 0.016 . 2 . . . . 105 LEU HD2 . 7125 1 2352 . 3 2 105 105 LEU HD22 H 1 0.583 0.016 . 2 . . . . 105 LEU HD2 . 7125 1 2353 . 3 2 105 105 LEU HD23 H 1 0.583 0.016 . 2 . . . . 105 LEU HD2 . 7125 1 2354 . 3 2 105 105 LEU CA C 13 58.490 0.059 . 1 . . . . 105 LEU CA . 7125 1 2355 . 3 2 105 105 LEU CB C 13 40.578 0.005 . 1 . . . . 105 LEU CB . 7125 1 2356 . 3 2 105 105 LEU CG C 13 25.843 0.000 . 1 . . . . 105 LEU CG . 7125 1 2357 . 3 2 105 105 LEU CD1 C 13 24.762 0.023 . 2 . . . . 105 LEU CD1 . 7125 1 2358 . 3 2 105 105 LEU CD2 C 13 21.554 0.060 . 2 . . . . 105 LEU CD2 . 7125 1 2359 . 3 2 105 105 LEU N N 15 118.552 0.047 . 1 . . . . 105 LEU N . 7125 1 2360 . 3 2 106 106 LEU H H 1 8.243 0.010 . 1 . . . . 106 LEU HN . 7125 1 2361 . 3 2 106 106 LEU HA H 1 4.213 0.008 . 1 . . . . 106 LEU HA . 7125 1 2362 . 3 2 106 106 LEU HB2 H 1 2.018 0.000 . 2 . . . . 106 LEU HB2 . 7125 1 2363 . 3 2 106 106 LEU HB3 H 1 2.621 0.000 . 2 . . . . 106 LEU HB3 . 7125 1 2364 . 3 2 106 106 LEU HG H 1 1.575 0.010 . 1 . . . . 106 LEU HG . 7125 1 2365 . 3 2 106 106 LEU HD11 H 1 0.567 0.011 . 2 . . . . 106 LEU HD1 . 7125 1 2366 . 3 2 106 106 LEU HD12 H 1 0.567 0.011 . 2 . . . . 106 LEU HD1 . 7125 1 2367 . 3 2 106 106 LEU HD13 H 1 0.567 0.011 . 2 . . . . 106 LEU HD1 . 7125 1 2368 . 3 2 106 106 LEU HD21 H 1 0.501 0.007 . 2 . . . . 106 LEU HD2 . 7125 1 2369 . 3 2 106 106 LEU HD22 H 1 0.501 0.007 . 2 . . . . 106 LEU HD2 . 7125 1 2370 . 3 2 106 106 LEU HD23 H 1 0.501 0.007 . 2 . . . . 106 LEU HD2 . 7125 1 2371 . 3 2 106 106 LEU CA C 13 58.907 0.001 . 1 . . . . 106 LEU CA . 7125 1 2372 . 3 2 106 106 LEU CB C 13 40.710 0.043 . 1 . . . . 106 LEU CB . 7125 1 2373 . 3 2 106 106 LEU CG C 13 28.641 0.059 . 1 . . . . 106 LEU CG . 7125 1 2374 . 3 2 106 106 LEU CD1 C 13 23.647 0.049 . 2 . . . . 106 LEU CD1 . 7125 1 2375 . 3 2 106 106 LEU CD2 C 13 25.401 0.065 . 2 . . . . 106 LEU CD2 . 7125 1 2376 . 3 2 106 106 LEU N N 15 118.358 0.115 . 1 . . . . 106 LEU N . 7125 1 2377 . 3 2 107 107 GLY H H 1 8.178 0.014 . 1 . . . . 107 GLY HN . 7125 1 2378 . 3 2 107 107 GLY HA2 H 1 4.325 0.000 . 2 . . . . 107 GLY HA2 . 7125 1 2379 . 3 2 107 107 GLY HA3 H 1 3.843 0.000 . 2 . . . . 107 GLY HA3 . 7125 1 2380 . 3 2 107 107 GLY CA C 13 48.382 0.048 . 1 . . . . 107 GLY CA . 7125 1 2381 . 3 2 107 107 GLY N N 15 105.468 0.017 . 1 . . . . 107 GLY N . 7125 1 2382 . 3 2 108 108 ASN H H 1 8.169 0.006 . 1 . . . . 108 ASN HN . 7125 1 2383 . 3 2 108 108 ASN HA H 1 4.704 0.036 . 1 . . . . 108 ASN HA . 7125 1 2384 . 3 2 108 108 ASN HB2 H 1 3.012 0.000 . 2 . . . . 108 ASN HB2 . 7125 1 2385 . 3 2 108 108 ASN CA C 13 55.321 0.000 . 1 . . . . 108 ASN CA . 7125 1 2386 . 3 2 108 108 ASN CB C 13 36.952 0.000 . 1 . . . . 108 ASN CB . 7125 1 2387 . 3 2 108 108 ASN N N 15 120.515 0.083 . 1 . . . . 108 ASN N . 7125 1 2388 . 3 2 109 109 VAL H H 1 8.966 0.013 . 1 . . . . 109 VAL HN . 7125 1 2389 . 3 2 109 109 VAL HA H 1 3.801 0.003 . 1 . . . . 109 VAL HA . 7125 1 2390 . 3 2 109 109 VAL HB H 1 2.385 0.012 . 1 . . . . 109 VAL HB . 7125 1 2391 . 3 2 109 109 VAL HG11 H 1 1.075 0.029 . 2 . . . . 109 VAL HG1# . 7125 1 2392 . 3 2 109 109 VAL HG12 H 1 1.075 0.029 . 2 . . . . 109 VAL HG1# . 7125 1 2393 . 3 2 109 109 VAL HG13 H 1 1.075 0.029 . 2 . . . . 109 VAL HG1# . 7125 1 2394 . 3 2 109 109 VAL HG21 H 1 1.301 0.014 . 2 . . . . 109 VAL HG2# . 7125 1 2395 . 3 2 109 109 VAL HG22 H 1 1.301 0.014 . 2 . . . . 109 VAL HG2# . 7125 1 2396 . 3 2 109 109 VAL HG23 H 1 1.301 0.014 . 2 . . . . 109 VAL HG2# . 7125 1 2397 . 3 2 109 109 VAL CA C 13 68.271 0.073 . 1 . . . . 109 VAL CA . 7125 1 2398 . 3 2 109 109 VAL CB C 13 31.608 0.011 . 1 . . . . 109 VAL CB . 7125 1 2399 . 3 2 109 109 VAL CG1 C 13 25.276 0.042 . 2 . . . . 109 VAL CG1 . 7125 1 2400 . 3 2 109 109 VAL CG2 C 13 24.956 0.129 . 2 . . . . 109 VAL CG2 . 7125 1 2401 . 3 2 109 109 VAL N N 15 123.527 0.044 . 1 . . . . 109 VAL N . 7125 1 2402 . 3 2 110 110 LEU H H 1 8.749 0.007 . 1 . . . . 110 LEU HN . 7125 1 2403 . 3 2 110 110 LEU HA H 1 3.776 0.028 . 1 . . . . 110 LEU HA . 7125 1 2404 . 3 2 110 110 LEU HB2 H 1 2.254 0.000 . 2 . . . . 110 LEU HB2 . 7125 1 2405 . 3 2 110 110 LEU HB3 H 1 1.047 0.015 . 2 . . . . 110 LEU HB3 . 7125 1 2406 . 3 2 110 110 LEU HG H 1 1.259 0.000 . 1 . . . . 110 LEU HG . 7125 1 2407 . 3 2 110 110 LEU HD11 H 1 0.128 0.022 . 2 . . . . 110 LEU HD1 . 7125 1 2408 . 3 2 110 110 LEU HD12 H 1 0.128 0.022 . 2 . . . . 110 LEU HD1 . 7125 1 2409 . 3 2 110 110 LEU HD13 H 1 0.128 0.022 . 2 . . . . 110 LEU HD1 . 7125 1 2410 . 3 2 110 110 LEU HD21 H 1 0.481 0.004 . 2 . . . . 110 LEU HD2 . 7125 1 2411 . 3 2 110 110 LEU HD22 H 1 0.481 0.004 . 2 . . . . 110 LEU HD2 . 7125 1 2412 . 3 2 110 110 LEU HD23 H 1 0.481 0.004 . 2 . . . . 110 LEU HD2 . 7125 1 2413 . 3 2 110 110 LEU CA C 13 58.906 0.077 . 1 . . . . 110 LEU CA . 7125 1 2414 . 3 2 110 110 LEU CB C 13 40.806 0.099 . 1 . . . . 110 LEU CB . 7125 1 2415 . 3 2 110 110 LEU CG C 13 27.250 0.000 . 1 . . . . 110 LEU CG . 7125 1 2416 . 3 2 110 110 LEU CD1 C 13 24.480 0.001 . 2 . . . . 110 LEU CD1 . 7125 1 2417 . 3 2 110 110 LEU CD2 C 13 22.928 0.015 . 1 . . . . 110 LEU CD2 . 7125 1 2418 . 3 2 110 110 LEU N N 15 121.078 0.054 . 1 . . . . 110 LEU N . 7125 1 2419 . 3 2 111 111 VAL H H 1 7.986 0.012 . 1 . . . . 111 VAL HN . 7125 1 2420 . 3 2 111 111 VAL HA H 1 3.308 0.020 . 1 . . . . 111 VAL HA . 7125 1 2421 . 3 2 111 111 VAL HB H 1 2.661 0.007 . 1 . . . . 111 VAL HB . 7125 1 2422 . 3 2 111 111 VAL HG11 H 1 1.305 0.022 . 2 . . . . 111 VAL HG1# . 7125 1 2423 . 3 2 111 111 VAL HG12 H 1 1.305 0.022 . 2 . . . . 111 VAL HG1# . 7125 1 2424 . 3 2 111 111 VAL HG13 H 1 1.305 0.022 . 2 . . . . 111 VAL HG1# . 7125 1 2425 . 3 2 111 111 VAL HG21 H 1 1.373 0.011 . 2 . . . . 111 VAL HG2# . 7125 1 2426 . 3 2 111 111 VAL HG22 H 1 1.373 0.011 . 2 . . . . 111 VAL HG2# . 7125 1 2427 . 3 2 111 111 VAL HG23 H 1 1.373 0.011 . 2 . . . . 111 VAL HG2# . 7125 1 2428 . 3 2 111 111 VAL CA C 13 68.310 0.093 . 1 . . . . 111 VAL CA . 7125 1 2429 . 3 2 111 111 VAL CB C 13 31.434 0.066 . 1 . . . . 111 VAL CB . 7125 1 2430 . 3 2 111 111 VAL CG1 C 13 24.000 0.038 . 2 . . . . 111 VAL CG1 . 7125 1 2431 . 3 2 111 111 VAL CG2 C 13 21.810 0.018 . 2 . . . . 111 VAL CG2 . 7125 1 2432 . 3 2 111 111 VAL N N 15 118.598 0.075 . 1 . . . . 111 VAL N . 7125 1 2433 . 3 2 112 112 CYS H H 1 8.104 0.012 . 1 . . . . 112 CYS HN . 7125 1 2434 . 3 2 112 112 CYS HA H 1 3.750 0.018 . 1 . . . . 112 CYS HA . 7125 1 2435 . 3 2 112 112 CYS HB2 H 1 3.450 0.007 . 2 . . . . 112 CYS HB2 . 7125 1 2436 . 3 2 112 112 CYS HB3 H 1 2.425 0.008 . 2 . . . . 112 CYS HB3 . 7125 1 2437 . 3 2 112 112 CYS CA C 13 65.257 0.104 . 1 . . . . 112 CYS CA . 7125 1 2438 . 3 2 112 112 CYS CB C 13 26.800 0.018 . 1 . . . . 112 CYS CB . 7125 1 2439 . 3 2 112 112 CYS N N 15 117.395 0.059 . 1 . . . . 112 CYS N . 7125 1 2440 . 3 2 113 113 VAL H H 1 8.422 0.012 . 1 . . . . 113 VAL HN . 7125 1 2441 . 3 2 113 113 VAL HA H 1 3.510 0.015 . 1 . . . . 113 VAL HA . 7125 1 2442 . 3 2 113 113 VAL HB H 1 2.208 0.000 . 1 . . . . 113 VAL HB . 7125 1 2443 . 3 2 113 113 VAL HG11 H 1 0.862 0.003 . 2 . . . . 113 VAL HG1# . 7125 1 2444 . 3 2 113 113 VAL HG12 H 1 0.862 0.003 . 2 . . . . 113 VAL HG1# . 7125 1 2445 . 3 2 113 113 VAL HG13 H 1 0.862 0.003 . 2 . . . . 113 VAL HG1# . 7125 1 2446 . 3 2 113 113 VAL HG21 H 1 0.893 0.007 . 2 . . . . 113 VAL HG2# . 7125 1 2447 . 3 2 113 113 VAL HG22 H 1 0.893 0.007 . 2 . . . . 113 VAL HG2# . 7125 1 2448 . 3 2 113 113 VAL HG23 H 1 0.893 0.007 . 2 . . . . 113 VAL HG2# . 7125 1 2449 . 3 2 113 113 VAL CA C 13 66.831 0.052 . 1 . . . . 113 VAL CA . 7125 1 2450 . 3 2 113 113 VAL CB C 13 31.572 0.000 . 1 . . . . 113 VAL CB . 7125 1 2451 . 3 2 113 113 VAL CG1 C 13 22.945 0.002 . 2 . . . . 113 VAL CG1 . 7125 1 2452 . 3 2 113 113 VAL CG2 C 13 23.812 0.027 . 2 . . . . 113 VAL CG2 . 7125 1 2453 . 3 2 113 113 VAL N N 15 120.365 0.045 . 1 . . . . 113 VAL N . 7125 1 2454 . 3 2 114 114 LEU H H 1 8.385 0.007 . 1 . . . . 114 LEU HN . 7125 1 2455 . 3 2 114 114 LEU HA H 1 3.678 0.023 . 1 . . . . 114 LEU HA . 7125 1 2456 . 3 2 114 114 LEU HG H 1 1.646 0.000 . 1 . . . . 114 LEU HG . 7125 1 2457 . 3 2 114 114 LEU HD11 H 1 0.320 0.007 . 2 . . . . 114 LEU HD1 . 7125 1 2458 . 3 2 114 114 LEU HD12 H 1 0.320 0.007 . 2 . . . . 114 LEU HD1 . 7125 1 2459 . 3 2 114 114 LEU HD13 H 1 0.320 0.007 . 2 . . . . 114 LEU HD1 . 7125 1 2460 . 3 2 114 114 LEU HD21 H 1 0.565 0.012 . 2 . . . . 114 LEU HD2 . 7125 1 2461 . 3 2 114 114 LEU HD22 H 1 0.565 0.012 . 2 . . . . 114 LEU HD2 . 7125 1 2462 . 3 2 114 114 LEU HD23 H 1 0.565 0.012 . 2 . . . . 114 LEU HD2 . 7125 1 2463 . 3 2 114 114 LEU CA C 13 58.114 0.120 . 1 . . . . 114 LEU CA . 7125 1 2464 . 3 2 114 114 LEU CG C 13 26.233 0.000 . 1 . . . . 114 LEU CG . 7125 1 2465 . 3 2 114 114 LEU CD1 C 13 25.510 0.017 . 2 . . . . 114 LEU CD1 . 7125 1 2466 . 3 2 114 114 LEU CD2 C 13 22.551 0.195 . 2 . . . . 114 LEU CD2 . 7125 1 2467 . 3 2 114 114 LEU N N 15 121.042 0.061 . 1 . . . . 114 LEU N . 7125 1 2468 . 3 2 115 115 ALA H H 1 7.428 0.008 . 1 . . . . 115 ALA HN . 7125 1 2469 . 3 2 115 115 ALA HA H 1 3.324 0.015 . 1 . . . . 115 ALA HA . 7125 1 2470 . 3 2 115 115 ALA HB1 H 1 1.242 0.012 . 1 . . . . 115 ALA HB# . 7125 1 2471 . 3 2 115 115 ALA HB2 H 1 1.242 0.012 . 1 . . . . 115 ALA HB# . 7125 1 2472 . 3 2 115 115 ALA HB3 H 1 1.242 0.012 . 1 . . . . 115 ALA HB# . 7125 1 2473 . 3 2 115 115 ALA CA C 13 55.217 0.104 . 1 . . . . 115 ALA CA . 7125 1 2474 . 3 2 115 115 ALA CB C 13 19.770 0.027 . 1 . . . . 115 ALA CB . 7125 1 2475 . 3 2 115 115 ALA N N 15 121.656 0.096 . 1 . . . . 115 ALA N . 7125 1 2476 . 3 2 116 116 HIS H H 1 7.967 0.012 . 1 . . . . 116 HIS HN . 7125 1 2477 . 3 2 116 116 HIS HA H 1 4.022 0.021 . 1 . . . . 116 HIS HA . 7125 1 2478 . 3 2 116 116 HIS HB2 H 1 2.993 0.007 . 2 . . . . 116 HIS HB2 . 7125 1 2479 . 3 2 116 116 HIS HB3 H 1 3.463 0.030 . 2 . . . . 116 HIS HB3 . 7125 1 2480 . 3 2 116 116 HIS HD2 H 1 7.209 0.006 . 1 . . . . 116 HIS HD2 . 7125 1 2481 . 3 2 116 116 HIS CA C 13 58.035 0.019 . 1 . . . . 116 HIS CA . 7125 1 2482 . 3 2 116 116 HIS CB C 13 31.418 0.072 . 1 . . . . 116 HIS CB . 7125 1 2483 . 3 2 116 116 HIS CD2 C 13 117.438 0.035 . 1 . . . . 116 HIS CD2 . 7125 1 2484 . 3 2 116 116 HIS CE1 C 13 138.341 0.000 . 1 . . . . 116 HIS CE1 . 7125 1 2485 . 3 2 116 116 HIS N N 15 116.999 0.086 . 1 . . . . 116 HIS N . 7125 1 2486 . 3 2 117 117 HIS H H 1 8.169 0.024 . 1 . . . . 117 HIS HN . 7125 1 2487 . 3 2 117 117 HIS HA H 1 3.800 0.010 . 1 . . . . 117 HIS HA . 7125 1 2488 . 3 2 117 117 HIS HB2 H 1 2.617 0.001 . 2 . . . . 117 HIS HB2 . 7125 1 2489 . 3 2 117 117 HIS HB3 H 1 2.147 0.005 . 2 . . . . 117 HIS HB3 . 7125 1 2490 . 3 2 117 117 HIS HD2 H 1 6.386 0.006 . 1 . . . . 117 HIS HD2 . 7125 1 2491 . 3 2 117 117 HIS CA C 13 59.110 0.059 . 1 . . . . 117 HIS CA . 7125 1 2492 . 3 2 117 117 HIS CB C 13 30.595 0.073 . 1 . . . . 117 HIS CB . 7125 1 2493 . 3 2 117 117 HIS CD2 C 13 119.883 0.110 . 1 . . . . 117 HIS CD2 . 7125 1 2494 . 3 2 117 117 HIS CE1 C 13 137.775 0.000 . 1 . . . . 117 HIS CE1 . 7125 1 2495 . 3 2 117 117 HIS N N 15 115.765 0.083 . 1 . . . . 117 HIS N . 7125 1 2496 . 3 2 118 118 PHE H H 1 8.368 0.011 . 1 . . . . 118 PHE HN . 7125 1 2497 . 3 2 118 118 PHE HA H 1 4.584 0.008 . 1 . . . . 118 PHE HA . 7125 1 2498 . 3 2 118 118 PHE HB2 H 1 3.211 0.000 . 2 . . . . 118 PHE HB2 . 7125 1 2499 . 3 2 118 118 PHE HB3 H 1 2.734 0.000 . 2 . . . . 118 PHE HB3 . 7125 1 2500 . 3 2 118 118 PHE HD1 H 1 7.358 0.006 . 3 . . . . 118 PHE HD1 . 7125 1 2501 . 3 2 118 118 PHE CA C 13 59.383 0.041 . 1 . . . . 118 PHE CA . 7125 1 2502 . 3 2 118 118 PHE CB C 13 39.762 0.017 . 1 . . . . 118 PHE CB . 7125 1 2503 . 3 2 118 118 PHE CD1 C 13 131.718 0.085 . 3 . . . . 118 PHE CD1 . 7125 1 2504 . 3 2 118 118 PHE N N 15 114.887 0.079 . 1 . . . . 118 PHE N . 7125 1 2505 . 3 2 119 119 GLY H H 1 8.483 0.014 . 1 . . . . 119 GLY HN . 7125 1 2506 . 3 2 119 119 GLY HA2 H 1 3.902 0.018 . 2 . . . . 119 GLY HA2 . 7125 1 2507 . 3 2 119 119 GLY CA C 13 48.089 0.012 . 1 . . . . 119 GLY CA . 7125 1 2508 . 3 2 119 119 GLY N N 15 113.592 0.066 . 1 . . . . 119 GLY N . 7125 1 2509 . 3 2 120 120 LYS H H 1 8.702 0.005 . 1 . . . . 120 LYS HN . 7125 1 2510 . 3 2 120 120 LYS HA H 1 3.794 0.010 . 1 . . . . 120 LYS HA . 7125 1 2511 . 3 2 120 120 LYS HB3 H 1 1.765 0.010 . 2 . . . . 120 LYS HB3 . 7125 1 2512 . 3 2 120 120 LYS HG3 H 1 1.361 0.007 . 2 . . . . 120 LYS HG3 . 7125 1 2513 . 3 2 120 120 LYS HD2 H 1 1.596 0.022 . 2 . . . . 120 LYS HD2 . 7125 1 2514 . 3 2 120 120 LYS CA C 13 58.206 0.034 . 1 . . . . 120 LYS CA . 7125 1 2515 . 3 2 120 120 LYS CB C 13 32.037 0.043 . 1 . . . . 120 LYS CB . 7125 1 2516 . 3 2 120 120 LYS CG C 13 24.394 0.026 . 1 . . . . 120 LYS CG . 7125 1 2517 . 3 2 120 120 LYS CD C 13 29.352 0.003 . 1 . . . . 120 LYS CD . 7125 1 2518 . 3 2 120 120 LYS N N 15 125.030 0.097 . 1 . . . . 120 LYS N . 7125 1 2519 . 3 2 121 121 GLU H H 1 7.805 0.007 . 1 . . . . 121 GLU HN . 7125 1 2520 . 3 2 121 121 GLU HA H 1 4.210 0.005 . 1 . . . . 121 GLU HA . 7125 1 2521 . 3 2 121 121 GLU HB2 H 1 2.122 0.011 . 2 . . . . 121 GLU HB2 . 7125 1 2522 . 3 2 121 121 GLU HG2 H 1 2.344 0.009 . 2 . . . . 121 GLU HG2 . 7125 1 2523 . 3 2 121 121 GLU CA C 13 57.582 0.001 . 1 . . . . 121 GLU CA . 7125 1 2524 . 3 2 121 121 GLU CB C 13 30.370 0.032 . 1 . . . . 121 GLU CB . 7125 1 2525 . 3 2 121 121 GLU CG C 13 37.327 0.047 . 1 . . . . 121 GLU CG . 7125 1 2526 . 3 2 121 121 GLU N N 15 116.831 0.047 . 1 . . . . 121 GLU N . 7125 1 2527 . 3 2 122 122 PHE H H 1 8.537 0.007 . 1 . . . . 122 PHE HN . 7125 1 2528 . 3 2 122 122 PHE HA H 1 4.452 0.014 . 1 . . . . 122 PHE HA . 7125 1 2529 . 3 2 122 122 PHE HB2 H 1 3.506 0.000 . 2 . . . . 122 PHE HB2 . 7125 1 2530 . 3 2 122 122 PHE HB3 H 1 2.400 0.009 . 2 . . . . 122 PHE HB3 . 7125 1 2531 . 3 2 122 122 PHE HD1 H 1 6.836 0.033 . 3 . . . . 122 PHE HD1 . 7125 1 2532 . 3 2 122 122 PHE CA C 13 56.954 0.006 . 1 . . . . 122 PHE CA . 7125 1 2533 . 3 2 122 122 PHE CB C 13 37.886 0.002 . 1 . . . . 122 PHE CB . 7125 1 2534 . 3 2 122 122 PHE CD1 C 13 131.932 0.042 . 3 . . . . 122 PHE CD1 . 7125 1 2535 . 3 2 122 122 PHE N N 15 126.301 0.086 . 1 . . . . 122 PHE N . 7125 1 2536 . 3 2 123 123 THR H H 1 7.165 0.013 . 1 . . . . 123 THR HN . 7125 1 2537 . 3 2 123 123 THR HA H 1 4.468 0.000 . 1 . . . . 123 THR HA . 7125 1 2538 . 3 2 123 123 THR HB H 1 4.374 0.000 . 1 . . . . 123 THR HB . 7125 1 2539 . 3 2 123 123 THR HG21 H 1 1.263 0.007 . 1 . . . . 123 THR HG2# . 7125 1 2540 . 3 2 123 123 THR HG22 H 1 1.263 0.007 . 1 . . . . 123 THR HG2# . 7125 1 2541 . 3 2 123 123 THR HG23 H 1 1.263 0.007 . 1 . . . . 123 THR HG2# . 7125 1 2542 . 3 2 123 123 THR CA C 13 60.822 0.000 . 1 . . . . 123 THR CA . 7125 1 2543 . 3 2 123 123 THR CB C 13 67.449 0.000 . 1 . . . . 123 THR CB . 7125 1 2544 . 3 2 123 123 THR CG2 C 13 22.662 0.068 . 1 . . . . 123 THR CG2 . 7125 1 2545 . 3 2 123 123 THR N N 15 113.320 0.053 . 1 . . . . 123 THR N . 7125 1 2546 . 3 2 125 125 PRO HA H 1 4.204 0.008 . 1 . . . . 125 PRO HA . 7125 1 2547 . 3 2 125 125 PRO HG3 H 1 1.857 0.000 . 2 . . . . 125 PRO HG3 . 7125 1 2548 . 3 2 125 125 PRO HD2 H 1 3.565 0.022 . 2 . . . . 125 PRO HD2 . 7125 1 2549 . 3 2 125 125 PRO CA C 13 66.124 0.075 . 1 . . . . 125 PRO CA . 7125 1 2550 . 3 2 125 125 PRO CG C 13 28.486 0.000 . 1 . . . . 125 PRO CG . 7125 1 2551 . 3 2 125 125 PRO CD C 13 50.144 0.000 . 1 . . . . 125 PRO CD . 7125 1 2552 . 3 2 126 126 VAL H H 1 6.916 0.013 . 1 . . . . 126 VAL HN . 7125 1 2553 . 3 2 126 126 VAL HA H 1 3.439 0.005 . 1 . . . . 126 VAL HA . 7125 1 2554 . 3 2 126 126 VAL HB H 1 1.901 0.014 . 1 . . . . 126 VAL HB . 7125 1 2555 . 3 2 126 126 VAL HG11 H 1 0.786 0.019 . 2 . . . . 126 VAL HG1# . 7125 1 2556 . 3 2 126 126 VAL HG12 H 1 0.786 0.019 . 2 . . . . 126 VAL HG1# . 7125 1 2557 . 3 2 126 126 VAL HG13 H 1 0.786 0.019 . 2 . . . . 126 VAL HG1# . 7125 1 2558 . 3 2 126 126 VAL HG21 H 1 0.949 0.008 . 2 . . . . 126 VAL HG2# . 7125 1 2559 . 3 2 126 126 VAL HG22 H 1 0.949 0.008 . 2 . . . . 126 VAL HG2# . 7125 1 2560 . 3 2 126 126 VAL HG23 H 1 0.949 0.008 . 2 . . . . 126 VAL HG2# . 7125 1 2561 . 3 2 126 126 VAL CA C 13 66.819 0.059 . 1 . . . . 126 VAL CA . 7125 1 2562 . 3 2 126 126 VAL CB C 13 31.294 0.012 . 1 . . . . 126 VAL CB . 7125 1 2563 . 3 2 126 126 VAL CG1 C 13 22.316 0.070 . 2 . . . . 126 VAL CG1 . 7125 1 2564 . 3 2 126 126 VAL CG2 C 13 24.108 0.058 . 2 . . . . 126 VAL CG2 . 7125 1 2565 . 3 2 126 126 VAL N N 15 120.999 0.072 . 1 . . . . 126 VAL N . 7125 1 2566 . 3 2 127 127 GLN H H 1 8.295 0.008 . 1 . . . . 127 GLN HN . 7125 1 2567 . 3 2 127 127 GLN HA H 1 3.487 0.000 . 1 . . . . 127 GLN HA . 7125 1 2568 . 3 2 127 127 GLN HB2 H 1 1.970 0.000 . 2 . . . . 127 GLN HB2 . 7125 1 2569 . 3 2 127 127 GLN CA C 13 59.368 0.000 . 1 . . . . 127 GLN CA . 7125 1 2570 . 3 2 127 127 GLN CB C 13 26.133 0.000 . 1 . . . . 127 GLN CB . 7125 1 2571 . 3 2 127 127 GLN N N 15 119.741 0.066 . 1 . . . . 127 GLN N . 7125 1 2572 . 3 2 128 128 ALA H H 1 8.156 0.009 . 1 . . . . 128 ALA HN . 7125 1 2573 . 3 2 128 128 ALA HA H 1 3.934 0.012 . 1 . . . . 128 ALA HA . 7125 1 2574 . 3 2 128 128 ALA HB1 H 1 1.255 0.009 . 1 . . . . 128 ALA HB# . 7125 1 2575 . 3 2 128 128 ALA HB2 H 1 1.255 0.009 . 1 . . . . 128 ALA HB# . 7125 1 2576 . 3 2 128 128 ALA HB3 H 1 1.255 0.009 . 1 . . . . 128 ALA HB# . 7125 1 2577 . 3 2 128 128 ALA CA C 13 55.648 0.077 . 1 . . . . 128 ALA CA . 7125 1 2578 . 3 2 128 128 ALA CB C 13 17.810 0.040 . 1 . . . . 128 ALA CB . 7125 1 2579 . 3 2 128 128 ALA N N 15 121.720 0.051 . 1 . . . . 128 ALA N . 7125 1 2580 . 3 2 129 129 ALA H H 1 7.274 0.012 . 1 . . . . 129 ALA HN . 7125 1 2581 . 3 2 129 129 ALA HA H 1 3.899 0.002 . 1 . . . . 129 ALA HA . 7125 1 2582 . 3 2 129 129 ALA HB1 H 1 1.359 0.010 . 1 . . . . 129 ALA HB# . 7125 1 2583 . 3 2 129 129 ALA HB2 H 1 1.359 0.010 . 1 . . . . 129 ALA HB# . 7125 1 2584 . 3 2 129 129 ALA HB3 H 1 1.359 0.010 . 1 . . . . 129 ALA HB# . 7125 1 2585 . 3 2 129 129 ALA CA C 13 55.321 0.000 . 1 . . . . 129 ALA CA . 7125 1 2586 . 3 2 129 129 ALA CB C 13 18.416 0.090 . 1 . . . . 129 ALA CB . 7125 1 2587 . 3 2 129 129 ALA N N 15 120.077 0.116 . 1 . . . . 129 ALA N . 7125 1 2588 . 3 2 130 130 TYR H H 1 8.264 0.013 . 1 . . . . 130 TYR HN . 7125 1 2589 . 3 2 130 130 TYR HA H 1 3.912 0.015 . 1 . . . . 130 TYR HA . 7125 1 2590 . 3 2 130 130 TYR HD1 H 1 7.182 0.012 . 3 . . . . 130 TYR HD1 . 7125 1 2591 . 3 2 130 130 TYR HE1 H 1 6.897 0.005 . 3 . . . . 130 TYR HE1 . 7125 1 2592 . 3 2 130 130 TYR CA C 13 65.055 0.091 . 1 . . . . 130 TYR CA . 7125 1 2593 . 3 2 130 130 TYR CD1 C 13 132.254 0.067 . 3 . . . . 130 TYR CD1 . 7125 1 2594 . 3 2 130 130 TYR CE1 C 13 121.892 0.043 . 3 . . . . 130 TYR CE1 . 7125 1 2595 . 3 2 130 130 TYR N N 15 116.203 0.040 . 1 . . . . 130 TYR N . 7125 1 2596 . 3 2 131 131 GLN H H 1 9.523 0.007 . 1 . . . . 131 GLN HN . 7125 1 2597 . 3 2 131 131 GLN HA H 1 4.407 0.006 . 1 . . . . 131 GLN HA . 7125 1 2598 . 3 2 131 131 GLN CA C 13 58.558 0.058 . 1 . . . . 131 GLN CA . 7125 1 2599 . 3 2 131 131 GLN N N 15 119.142 0.095 . 1 . . . . 131 GLN N . 7125 1 2600 . 3 2 132 132 LYS H H 1 7.618 0.008 . 1 . . . . 132 LYS HN . 7125 1 2601 . 3 2 132 132 LYS HA H 1 4.217 0.023 . 1 . . . . 132 LYS HA . 7125 1 2602 . 3 2 132 132 LYS HB2 H 1 1.646 0.000 . 2 . . . . 132 LYS HB2 . 7125 1 2603 . 3 2 132 132 LYS HB3 H 1 2.169 0.000 . 2 . . . . 132 LYS HB3 . 7125 1 2604 . 3 2 132 132 LYS HG2 H 1 1.432 0.000 . 2 . . . . 132 LYS HG2 . 7125 1 2605 . 3 2 132 132 LYS HG3 H 1 1.851 0.000 . 2 . . . . 132 LYS HG3 . 7125 1 2606 . 3 2 132 132 LYS HD2 H 1 1.657 0.000 . 2 . . . . 132 LYS HD2 . 7125 1 2607 . 3 2 132 132 LYS HE2 H 1 2.935 0.003 . 2 . . . . 132 LYS HE2 . 7125 1 2608 . 3 2 132 132 LYS CA C 13 60.521 0.098 . 1 . . . . 132 LYS CA . 7125 1 2609 . 3 2 132 132 LYS CB C 13 32.546 0.056 . 1 . . . . 132 LYS CB . 7125 1 2610 . 3 2 132 132 LYS CG C 13 26.289 0.197 . 1 . . . . 132 LYS CG . 7125 1 2611 . 3 2 132 132 LYS CD C 13 30.412 0.000 . 1 . . . . 132 LYS CD . 7125 1 2612 . 3 2 132 132 LYS CE C 13 42.248 0.115 . 1 . . . . 132 LYS CE . 7125 1 2613 . 3 2 132 132 LYS N N 15 121.039 0.119 . 1 . . . . 132 LYS N . 7125 1 2614 . 3 2 133 133 VAL H H 1 7.571 0.008 . 1 . . . . 133 VAL HN . 7125 1 2615 . 3 2 133 133 VAL HA H 1 3.546 0.001 . 1 . . . . 133 VAL HA . 7125 1 2616 . 3 2 133 133 VAL HB H 1 2.347 0.005 . 1 . . . . 133 VAL HB . 7125 1 2617 . 3 2 133 133 VAL HG11 H 1 0.812 0.011 . 2 . . . . 133 VAL HG1# . 7125 1 2618 . 3 2 133 133 VAL HG12 H 1 0.812 0.011 . 2 . . . . 133 VAL HG1# . 7125 1 2619 . 3 2 133 133 VAL HG13 H 1 0.812 0.011 . 2 . . . . 133 VAL HG1# . 7125 1 2620 . 3 2 133 133 VAL HG21 H 1 0.906 0.018 . 2 . . . . 133 VAL HG2# . 7125 1 2621 . 3 2 133 133 VAL HG22 H 1 0.906 0.018 . 2 . . . . 133 VAL HG2# . 7125 1 2622 . 3 2 133 133 VAL HG23 H 1 0.906 0.018 . 2 . . . . 133 VAL HG2# . 7125 1 2623 . 3 2 133 133 VAL CA C 13 67.739 0.021 . 1 . . . . 133 VAL CA . 7125 1 2624 . 3 2 133 133 VAL CB C 13 31.976 0.022 . 1 . . . . 133 VAL CB . 7125 1 2625 . 3 2 133 133 VAL CG1 C 13 20.715 0.052 . 2 . . . . 133 VAL CG1 . 7125 1 2626 . 3 2 133 133 VAL CG2 C 13 22.891 0.050 . 2 . . . . 133 VAL CG2 . 7125 1 2627 . 3 2 133 133 VAL N N 15 119.223 0.056 . 1 . . . . 133 VAL N . 7125 1 2628 . 3 2 134 134 VAL H H 1 9.102 0.010 . 1 . . . . 134 VAL HN . 7125 1 2629 . 3 2 134 134 VAL HA H 1 4.192 0.019 . 1 . . . . 134 VAL HA . 7125 1 2630 . 3 2 134 134 VAL HB H 1 2.607 0.010 . 1 . . . . 134 VAL HB . 7125 1 2631 . 3 2 134 134 VAL HG11 H 1 1.342 0.011 . 2 . . . . 134 VAL HG1 . 7125 1 2632 . 3 2 134 134 VAL HG12 H 1 1.342 0.011 . 2 . . . . 134 VAL HG1 . 7125 1 2633 . 3 2 134 134 VAL HG13 H 1 1.342 0.011 . 2 . . . . 134 VAL HG1 . 7125 1 2634 . 3 2 134 134 VAL HG21 H 1 1.321 0.024 . 2 . . . . 134 VAL HG2 . 7125 1 2635 . 3 2 134 134 VAL HG22 H 1 1.321 0.024 . 2 . . . . 134 VAL HG2 . 7125 1 2636 . 3 2 134 134 VAL HG23 H 1 1.321 0.024 . 2 . . . . 134 VAL HG2 . 7125 1 2637 . 3 2 134 134 VAL CA C 13 67.081 0.050 . 1 . . . . 134 VAL CA . 7125 1 2638 . 3 2 134 134 VAL CB C 13 31.391 0.024 . 1 . . . . 134 VAL CB . 7125 1 2639 . 3 2 134 134 VAL CG1 C 13 21.443 0.081 . 2 . . . . 134 VAL CG1 . 7125 1 2640 . 3 2 134 134 VAL CG2 C 13 19.959 0.065 . 2 . . . . 134 VAL CG2 . 7125 1 2641 . 3 2 134 134 VAL N N 15 113.878 0.049 . 1 . . . . 134 VAL N . 7125 1 2642 . 3 2 135 135 ALA H H 1 8.118 0.008 . 1 . . . . 135 ALA HN . 7125 1 2643 . 3 2 135 135 ALA HA H 1 4.408 0.010 . 1 . . . . 135 ALA HA . 7125 1 2644 . 3 2 135 135 ALA HB1 H 1 1.666 0.001 . 1 . . . . 135 ALA HB# . 7125 1 2645 . 3 2 135 135 ALA HB2 H 1 1.666 0.001 . 1 . . . . 135 ALA HB# . 7125 1 2646 . 3 2 135 135 ALA HB3 H 1 1.666 0.001 . 1 . . . . 135 ALA HB# . 7125 1 2647 . 3 2 135 135 ALA CA C 13 55.321 0.000 . 1 . . . . 135 ALA CA . 7125 1 2648 . 3 2 135 135 ALA CB C 13 18.363 0.004 . 1 . . . . 135 ALA CB . 7125 1 2649 . 3 2 135 135 ALA N N 15 124.553 0.095 . 1 . . . . 135 ALA N . 7125 1 2650 . 3 2 136 136 GLY H H 1 8.023 0.007 . 1 . . . . 136 GLY HN . 7125 1 2651 . 3 2 136 136 GLY HA2 H 1 4.008 0.006 . 2 . . . . 136 GLY HA2 . 7125 1 2652 . 3 2 136 136 GLY HA3 H 1 3.533 0.004 . 2 . . . . 136 GLY HA3 . 7125 1 2653 . 3 2 136 136 GLY CA C 13 47.273 0.195 . 1 . . . . 136 GLY CA . 7125 1 2654 . 3 2 136 136 GLY N N 15 106.850 0.059 . 1 . . . . 136 GLY N . 7125 1 2655 . 3 2 137 137 VAL H H 1 8.668 0.008 . 1 . . . . 137 VAL HN . 7125 1 2656 . 3 2 137 137 VAL HA H 1 3.214 0.010 . 1 . . . . 137 VAL HA . 7125 1 2657 . 3 2 137 137 VAL HB H 1 2.158 0.015 . 1 . . . . 137 VAL HB . 7125 1 2658 . 3 2 137 137 VAL HG11 H 1 0.961 0.005 . 2 . . . . 137 VAL HG1# . 7125 1 2659 . 3 2 137 137 VAL HG12 H 1 0.961 0.005 . 2 . . . . 137 VAL HG1# . 7125 1 2660 . 3 2 137 137 VAL HG13 H 1 0.961 0.005 . 2 . . . . 137 VAL HG1# . 7125 1 2661 . 3 2 137 137 VAL HG21 H 1 0.380 0.019 . 2 . . . . 137 VAL HG2# . 7125 1 2662 . 3 2 137 137 VAL HG22 H 1 0.380 0.019 . 2 . . . . 137 VAL HG2# . 7125 1 2663 . 3 2 137 137 VAL HG23 H 1 0.380 0.019 . 2 . . . . 137 VAL HG2# . 7125 1 2664 . 3 2 137 137 VAL CA C 13 67.473 0.070 . 1 . . . . 137 VAL CA . 7125 1 2665 . 3 2 137 137 VAL CB C 13 31.861 0.009 . 1 . . . . 137 VAL CB . 7125 1 2666 . 3 2 137 137 VAL CG1 C 13 22.347 0.072 . 2 . . . . 137 VAL CG1 . 7125 1 2667 . 3 2 137 137 VAL CG2 C 13 20.605 0.032 . 2 . . . . 137 VAL CG2 . 7125 1 2668 . 3 2 137 137 VAL N N 15 124.249 0.064 . 1 . . . . 137 VAL N . 7125 1 2669 . 3 2 138 138 ALA H H 1 8.358 0.009 . 1 . . . . 138 ALA HN . 7125 1 2670 . 3 2 138 138 ALA HA H 1 3.804 0.001 . 1 . . . . 138 ALA HA . 7125 1 2671 . 3 2 138 138 ALA HB1 H 1 1.609 0.008 . 1 . . . . 138 ALA HB# . 7125 1 2672 . 3 2 138 138 ALA HB2 H 1 1.609 0.008 . 1 . . . . 138 ALA HB# . 7125 1 2673 . 3 2 138 138 ALA HB3 H 1 1.609 0.008 . 1 . . . . 138 ALA HB# . 7125 1 2674 . 3 2 138 138 ALA CA C 13 56.065 0.037 . 1 . . . . 138 ALA CA . 7125 1 2675 . 3 2 138 138 ALA CB C 13 17.927 0.129 . 1 . . . . 138 ALA CB . 7125 1 2676 . 3 2 138 138 ALA N N 15 121.232 0.057 . 1 . . . . 138 ALA N . 7125 1 2677 . 3 2 139 139 ASN H H 1 8.270 0.007 . 1 . . . . 139 ASN HN . 7125 1 2678 . 3 2 139 139 ASN HA H 1 4.406 0.011 . 1 . . . . 139 ASN HA . 7125 1 2679 . 3 2 139 139 ASN HB2 H 1 2.790 0.009 . 2 . . . . 139 ASN HB2 . 7125 1 2680 . 3 2 139 139 ASN CA C 13 56.137 0.069 . 1 . . . . 139 ASN CA . 7125 1 2681 . 3 2 139 139 ASN CB C 13 38.653 0.035 . 1 . . . . 139 ASN CB . 7125 1 2682 . 3 2 139 139 ASN N N 15 114.855 0.062 . 1 . . . . 139 ASN N . 7125 1 2683 . 3 2 140 140 ALA H H 1 7.900 0.010 . 1 . . . . 140 ALA HN . 7125 1 2684 . 3 2 140 140 ALA HA H 1 3.996 0.002 . 1 . . . . 140 ALA HA . 7125 1 2685 . 3 2 140 140 ALA HB1 H 1 1.324 0.022 . 1 . . . . 140 ALA HB# . 7125 1 2686 . 3 2 140 140 ALA HB2 H 1 1.324 0.022 . 1 . . . . 140 ALA HB# . 7125 1 2687 . 3 2 140 140 ALA HB3 H 1 1.324 0.022 . 1 . . . . 140 ALA HB# . 7125 1 2688 . 3 2 140 140 ALA CA C 13 54.858 0.048 . 1 . . . . 140 ALA CA . 7125 1 2689 . 3 2 140 140 ALA CB C 13 18.715 0.071 . 1 . . . . 140 ALA CB . 7125 1 2690 . 3 2 140 140 ALA N N 15 122.549 0.064 . 1 . . . . 140 ALA N . 7125 1 2691 . 3 2 141 141 LEU H H 1 8.117 0.006 . 1 . . . . 141 LEU HN . 7125 1 2692 . 3 2 141 141 LEU HA H 1 3.230 0.006 . 1 . . . . 141 LEU HA . 7125 1 2693 . 3 2 141 141 LEU HB2 H 1 0.643 0.026 . 2 . . . . 141 LEU HB2 . 7125 1 2694 . 3 2 141 141 LEU HB3 H 1 -0.360 0.010 . 2 . . . . 141 LEU HB3 . 7125 1 2695 . 3 2 141 141 LEU HG H 1 0.305 0.022 . 1 . . . . 141 LEU HG . 7125 1 2696 . 3 2 141 141 LEU HD11 H 1 -0.827 0.026 . 2 . . . . 141 LEU HD1 . 7125 1 2697 . 3 2 141 141 LEU HD12 H 1 -0.827 0.026 . 2 . . . . 141 LEU HD1 . 7125 1 2698 . 3 2 141 141 LEU HD13 H 1 -0.827 0.026 . 2 . . . . 141 LEU HD1 . 7125 1 2699 . 3 2 141 141 LEU HD21 H 1 -1.048 0.013 . 2 . . . . 141 LEU HD2 . 7125 1 2700 . 3 2 141 141 LEU HD22 H 1 -1.048 0.013 . 2 . . . . 141 LEU HD2 . 7125 1 2701 . 3 2 141 141 LEU HD23 H 1 -1.048 0.013 . 2 . . . . 141 LEU HD2 . 7125 1 2702 . 3 2 141 141 LEU CA C 13 56.620 0.089 . 1 . . . . 141 LEU CA . 7125 1 2703 . 3 2 141 141 LEU CB C 13 39.916 0.065 . 1 . . . . 141 LEU CB . 7125 1 2704 . 3 2 141 141 LEU CG C 13 26.881 0.096 . 1 . . . . 141 LEU CG . 7125 1 2705 . 3 2 141 141 LEU CD1 C 13 24.549 0.032 . 2 . . . . 141 LEU CD1 . 7125 1 2706 . 3 2 141 141 LEU CD2 C 13 22.885 0.015 . 2 . . . . 141 LEU CD2 . 7125 1 2707 . 3 2 141 141 LEU N N 15 120.557 0.067 . 1 . . . . 141 LEU N . 7125 1 2708 . 3 2 142 142 ALA H H 1 7.369 0.008 . 1 . . . . 142 ALA HN . 7125 1 2709 . 3 2 142 142 ALA HA H 1 4.300 0.000 . 1 . . . . 142 ALA HA . 7125 1 2710 . 3 2 142 142 ALA HB1 H 1 1.588 0.007 . 1 . . . . 142 ALA HB# . 7125 1 2711 . 3 2 142 142 ALA HB2 H 1 1.588 0.007 . 1 . . . . 142 ALA HB# . 7125 1 2712 . 3 2 142 142 ALA HB3 H 1 1.588 0.007 . 1 . . . . 142 ALA HB# . 7125 1 2713 . 3 2 142 142 ALA CA C 13 52.312 0.000 . 1 . . . . 142 ALA CA . 7125 1 2714 . 3 2 142 142 ALA CB C 13 19.823 0.051 . 1 . . . . 142 ALA CB . 7125 1 2715 . 3 2 142 142 ALA N N 15 118.780 0.071 . 1 . . . . 142 ALA N . 7125 1 2716 . 3 2 143 143 HIS H H 1 7.129 0.005 . 1 . . . . 143 HIS HN . 7125 1 2717 . 3 2 143 143 HIS HA H 1 4.072 0.014 . 1 . . . . 143 HIS HA . 7125 1 2718 . 3 2 143 143 HIS HB2 H 1 2.972 0.023 . 2 . . . . 143 HIS HB2 . 7125 1 2719 . 3 2 143 143 HIS HB3 H 1 3.328 0.017 . 2 . . . . 143 HIS HB3 . 7125 1 2720 . 3 2 143 143 HIS HD2 H 1 6.906 0.000 . 1 . . . . 143 HIS HD2 . 7125 1 2721 . 3 2 143 143 HIS CA C 13 60.362 0.062 . 1 . . . . 143 HIS CA . 7125 1 2722 . 3 2 143 143 HIS CB C 13 30.115 0.068 . 1 . . . . 143 HIS CB . 7125 1 2723 . 3 2 143 143 HIS CD2 C 13 122.798 0.000 . 1 . . . . 143 HIS CD2 . 7125 1 2724 . 3 2 143 143 HIS CE1 C 13 136.988 0.023 . 1 . . . . 143 HIS CE1 . 7125 1 2725 . 3 2 143 143 HIS N N 15 118.257 0.058 . 1 . . . . 143 HIS N . 7125 1 2726 . 3 2 144 144 LYS H H 1 7.053 0.013 . 1 . . . . 144 LYS HN . 7125 1 2727 . 3 2 144 144 LYS HA H 1 3.870 0.008 . 1 . . . . 144 LYS HA . 7125 1 2728 . 3 2 144 144 LYS HB2 H 1 1.572 0.000 . 2 . . . . 144 LYS HB1 . 7125 1 2729 . 3 2 144 144 LYS HB3 H 1 1.323 0.010 . 2 . . . . 144 LYS HB2 . 7125 1 2730 . 3 2 144 144 LYS HG2 H 1 1.017 0.000 . 2 . . . . 144 LYS HG1 . 7125 1 2731 . 3 2 144 144 LYS HG3 H 1 0.984 0.005 . 2 . . . . 144 LYS HG2 . 7125 1 2732 . 3 2 144 144 LYS HD2 H 1 1.505 0.000 . 2 . . . . 144 LYS HD1 . 7125 1 2733 . 3 2 144 144 LYS HD3 H 1 1.473 0.000 . 2 . . . . 144 LYS HD2 . 7125 1 2734 . 3 2 144 144 LYS HE3 H 1 2.836 0.020 . 2 . . . . 144 LYS HE3 . 7125 1 2735 . 3 2 144 144 LYS CA C 13 56.265 0.063 . 1 . . . . 144 LYS CA . 7125 1 2736 . 3 2 144 144 LYS CB C 13 30.234 0.081 . 1 . . . . 144 LYS CB . 7125 1 2737 . 3 2 144 144 LYS CG C 13 24.525 0.155 . 1 . . . . 144 LYS CG . 7125 1 2738 . 3 2 144 144 LYS CD C 13 27.276 0.028 . 1 . . . . 144 LYS CD . 7125 1 2739 . 3 2 144 144 LYS CE C 13 41.715 0.111 . 1 . . . . 144 LYS CE . 7125 1 2740 . 3 2 144 144 LYS N N 15 115.563 0.130 . 1 . . . . 144 LYS N . 7125 1 2741 . 3 2 145 145 TYR H H 1 7.770 0.008 . 1 . . . . 145 TYR HN . 7125 1 2742 . 3 2 145 145 TYR HA H 1 4.527 0.008 . 1 . . . . 145 TYR HA . 7125 1 2743 . 3 2 145 145 TYR HB2 H 1 3.149 0.021 . 2 . . . . 145 TYR HB2 . 7125 1 2744 . 3 2 145 145 TYR HB3 H 1 2.748 0.015 . 2 . . . . 145 TYR HB3 . 7125 1 2745 . 3 2 145 145 TYR HD1 H 1 7.061 0.004 . 3 . . . . 145 TYR HD1 . 7125 1 2746 . 3 2 145 145 TYR HE1 H 1 6.811 0.018 . 3 . . . . 145 TYR HE1 . 7125 1 2747 . 3 2 145 145 TYR CA C 13 58.623 0.001 . 1 . . . . 145 TYR CA . 7125 1 2748 . 3 2 145 145 TYR CB C 13 38.496 0.078 . 1 . . . . 145 TYR CB . 7125 1 2749 . 3 2 145 145 TYR CD1 C 13 132.375 0.045 . 3 . . . . 145 TYR CD1 . 7125 1 2750 . 3 2 145 145 TYR CE1 C 13 119.023 0.063 . 3 . . . . 145 TYR CE1 . 7125 1 2751 . 3 2 145 145 TYR N N 15 118.084 0.059 . 1 . . . . 145 TYR N . 7125 1 2752 . 3 2 146 146 HIS H H 1 7.474 0.005 . 1 . . . . 146 HIS HN . 7125 1 2753 . 3 2 146 146 HIS HA H 1 4.510 0.000 . 1 . . . . 146 HIS HA . 7125 1 2754 . 3 2 146 146 HIS HB2 H 1 3.063 0.000 . 2 . . . . 146 HIS HB2 . 7125 1 2755 . 3 2 146 146 HIS HD2 H 1 6.898 0.043 . 1 . . . . 146 HIS HD2 . 7125 1 2756 . 3 2 146 146 HIS HE1 H 1 7.876 0.044 . 1 . . . . 146 HIS HE1 . 7125 1 2757 . 3 2 146 146 HIS CA C 13 56.638 0.000 . 1 . . . . 146 HIS CA . 7125 1 2758 . 3 2 146 146 HIS CB C 13 31.314 0.000 . 1 . . . . 146 HIS CB . 7125 1 2759 . 3 2 146 146 HIS CD2 C 13 119.662 0.146 . 1 . . . . 146 HIS CD2 . 7125 1 2760 . 3 2 146 146 HIS CE1 C 13 137.466 0.827 . 1 . . . . 146 HIS CE1 . 7125 1 2761 . 3 2 146 146 HIS N N 15 124.445 0.050 . 1 . . . . 146 HIS N . 7125 1 stop_ save_