data_15084 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15084 _Entry.Title ; NMR structure of cl-BABP complexed to chenodeoxycholic acid ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-22 _Entry.Accession_date 2006-12-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.59 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Tommaso Eliseo . . . 15084 2 Laura Ragona . . . 15084 3 Maddalena Catalano . . . 15084 4 Michael Assfalf . . . 15084 5 Maurizio Paci . . . 15084 6 Lucia Zetta . . . 15084 7 Henriette Molinari . . . 15084 8 Daniel Cicero . O. . 15084 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15084 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BILE ACIDS' . 15084 BINDING . 15084 NMR . 15084 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15084 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 596 15084 '15N chemical shifts' 123 15084 '1H chemical shifts' 898 15084 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 2 . . 2008-10-03 2006-12-22 update BMRB 'update the ligand saveframe' 15084 1 . . 2008-02-11 2006-12-22 original author 'original release' 15084 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JN3 'BMRB Entry Tracking System' 15084 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15084 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17929837 _Citation.Full_citation . _Citation.Title ; Structural and dynamic determinants of ligand binding in the ternary complex of chicken liver bile acid binding protein with two bile salts revealed by NMR. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 44 _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 12557 _Citation.Page_last 12567 _Citation.Year 2007 _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 Tommaso Eliseo . . . 15084 1 2 Laura Ragona . . . 15084 1 3 Maddalena Catalano . . . 15084 1 4 Michael Assfalf . . . 15084 1 5 Maurizio Paci . . . 15084 1 6 Lucia Zetta . . . 15084 1 7 Henriette Molinari . . . 15084 1 8 Daniel Cicero . O. . 15084 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bile acid' 15084 1 binding 15084 1 chenodeoxycholic 15084 1 NMR 15084 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15084 _Assembly.ID 1 _Assembly.Name 'CDA-BABP complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'cl-BABP complexed to two chenodeoxycholic acid molecules' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 cl-BABP 1 $cl-BABP A . yes native yes yes . protein . 15084 1 2 CDA-1 2 $JN3 B . no native yes yes . ligand . 15084 1 3 CDA-2 2 $JN3 C . no native yes yes . ligand . 15084 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'bile acid binding' 15084 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cl-BABP _Entity.Sf_category entity _Entity.Sf_framecode cl-BABP _Entity.Entry_ID 15084 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cl-BABP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AFSGTWQVYAQENYEEFLKA LALPEDLIKMARDIKPIVEI QQKGDDFVVTSKTPRQTVTN SFTLGKEADITTMDGKKLKC TVHLANGKLVTKSEKFSHEQ EVKGNEMVETITFGGVTLIR RSKRV ; _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 JN3 _Entity.Nonpolymer_comp_label $chem_comp_JN3 _Entity.Number_of_monomers 125 _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 2015-11-26 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 15854 . Gd(III)-chelate . . . . . 100.00 125 100.00 100.00 1.94e-85 . . . . 15084 1 2 no BMRB 16309 . holo_T91C . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 15084 1 3 no BMRB 16310 . cL-BABP_T91C . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 15084 1 4 no BMRB 16458 . cL-BABP . . . . . 100.00 125 100.00 100.00 1.94e-85 . . . . 15084 1 5 no BMRB 17767 . cl_BABP . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 15084 1 6 no PDB 1MVG . "Nmr Solution Structure Of Chicken Liver Basic Fatty Acid Binding Protein (Lb-Fabp)" . . . . . 100.00 125 100.00 100.00 1.94e-85 . . . . 15084 1 7 no PDB 1TVQ . "Crystal Structure Of Apo Chicken Liver Basic Fatty Acid Binding Protein (Or Bile Acid Binding Protein)" . . . . . 100.00 125 100.00 100.00 1.94e-85 . . . . 15084 1 8 no PDB 1TW4 . "Crystal Structure Of Chicken Liver Basic Fatty Acid Binding Protein (Bile Acid Binding Protein) Complexed With Cholic Acid" . . . . . 100.00 125 100.00 100.00 1.94e-85 . . . . 15084 1 9 no PDB 1ZRY . "Nmr Structural Analysis Of Apo Chicken Liver Bile Acid Binding Protein" . . . . . 100.00 125 100.00 100.00 1.94e-85 . . . . 15084 1 10 no PDB 2JN3 . "Nmr Structure Of Cl-Babp Complexed To Chenodeoxycholic Acid" . . . . . 100.00 125 100.00 100.00 1.94e-85 . . . . 15084 1 11 no PDB 2K62 . "Nmr Solution Structure Of The Supramolecular Adduct Between A Liver Cytosolic Bile Acid Binding Protein And A Bile Acid-Based G" . . . . . 100.00 125 100.00 100.00 1.94e-85 . . . . 15084 1 12 no PDB 2LFO . "Nmr Structure Of Cl-BabpSS COMPLEXED WITH GLYCOCHENODEOXYCHOLIC AND Glycocholic Acids" . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 15084 1 13 no GB AAK58094 . "liver basic fatty acid binding protein [Gallus gallus]" . . . . . 100.00 126 99.20 99.20 1.03e-84 . . . . 15084 1 14 no GB ADE59142 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 99.20 99.20 1.22e-84 . . . . 15084 1 15 no GB ADE59143 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 100.00 100.00 1.84e-85 . . . . 15084 1 16 no GB ADE59144 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 100.00 100.00 1.84e-85 . . . . 15084 1 17 no GB ADE59145 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 100.00 100.00 1.84e-85 . . . . 15084 1 18 no PRF 2106165A . "fatty acid-binding protein [Gallus gallus]" . . . . . 100.00 125 100.00 100.00 1.94e-85 . . . . 15084 1 19 no REF NP_989965 . "fatty acid-binding protein, liver [Gallus gallus]" . . . . . 100.00 126 99.20 99.20 1.03e-84 . . . . 15084 1 20 no SP P80226 . "RecName: Full=Fatty acid-binding protein, liver; AltName: Full=Fatty acid-binding protein 1; AltName: Full=Liver basic FABP; Sh" . . . . . 100.00 126 100.00 100.00 1.42e-85 . . . . 15084 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'bile acids binding' 15084 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 . ALA . 15084 1 2 . PHE . 15084 1 3 . SER . 15084 1 4 . GLY . 15084 1 5 . THR . 15084 1 6 . TRP . 15084 1 7 . GLN . 15084 1 8 . VAL . 15084 1 9 . TYR . 15084 1 10 . ALA . 15084 1 11 . GLN . 15084 1 12 . GLU . 15084 1 13 . ASN . 15084 1 14 . TYR . 15084 1 15 . GLU . 15084 1 16 . GLU . 15084 1 17 . PHE . 15084 1 18 . LEU . 15084 1 19 . LYS . 15084 1 20 . ALA . 15084 1 21 . LEU . 15084 1 22 . ALA . 15084 1 23 . LEU . 15084 1 24 . PRO . 15084 1 25 . GLU . 15084 1 26 . ASP . 15084 1 27 . LEU . 15084 1 28 . ILE . 15084 1 29 . LYS . 15084 1 30 . MET . 15084 1 31 . ALA . 15084 1 32 . ARG . 15084 1 33 . ASP . 15084 1 34 . ILE . 15084 1 35 . LYS . 15084 1 36 . PRO . 15084 1 37 . ILE . 15084 1 38 . VAL . 15084 1 39 . GLU . 15084 1 40 . ILE . 15084 1 41 . GLN . 15084 1 42 . GLN . 15084 1 43 . LYS . 15084 1 44 . GLY . 15084 1 45 . ASP . 15084 1 46 . ASP . 15084 1 47 . PHE . 15084 1 48 . VAL . 15084 1 49 . VAL . 15084 1 50 . THR . 15084 1 51 . SER . 15084 1 52 . LYS . 15084 1 53 . THR . 15084 1 54 . PRO . 15084 1 55 . ARG . 15084 1 56 . GLN . 15084 1 57 . THR . 15084 1 58 . VAL . 15084 1 59 . THR . 15084 1 60 . ASN . 15084 1 61 . SER . 15084 1 62 . PHE . 15084 1 63 . THR . 15084 1 64 . LEU . 15084 1 65 . GLY . 15084 1 66 . LYS . 15084 1 67 . GLU . 15084 1 68 . ALA . 15084 1 69 . ASP . 15084 1 70 . ILE . 15084 1 71 . THR . 15084 1 72 . THR . 15084 1 73 . MET . 15084 1 74 . ASP . 15084 1 75 . GLY . 15084 1 76 . LYS . 15084 1 77 . LYS . 15084 1 78 . LEU . 15084 1 79 . LYS . 15084 1 80 . CYS . 15084 1 81 . THR . 15084 1 82 . VAL . 15084 1 83 . HIS . 15084 1 84 . LEU . 15084 1 85 . ALA . 15084 1 86 . ASN . 15084 1 87 . GLY . 15084 1 88 . LYS . 15084 1 89 . LEU . 15084 1 90 . VAL . 15084 1 91 . THR . 15084 1 92 . LYS . 15084 1 93 . SER . 15084 1 94 . GLU . 15084 1 95 . LYS . 15084 1 96 . PHE . 15084 1 97 . SER . 15084 1 98 . HIS . 15084 1 99 . GLU . 15084 1 100 . GLN . 15084 1 101 . GLU . 15084 1 102 . VAL . 15084 1 103 . LYS . 15084 1 104 . GLY . 15084 1 105 . ASN . 15084 1 106 . GLU . 15084 1 107 . MET . 15084 1 108 . VAL . 15084 1 109 . GLU . 15084 1 110 . THR . 15084 1 111 . ILE . 15084 1 112 . THR . 15084 1 113 . PHE . 15084 1 114 . GLY . 15084 1 115 . GLY . 15084 1 116 . VAL . 15084 1 117 . THR . 15084 1 118 . LEU . 15084 1 119 . ILE . 15084 1 120 . ARG . 15084 1 121 . ARG . 15084 1 122 . SER . 15084 1 123 . LYS . 15084 1 124 . ARG . 15084 1 125 . VAL . 15084 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 . ALA 1 1 15084 1 . PHE 2 2 15084 1 . SER 3 3 15084 1 . GLY 4 4 15084 1 . THR 5 5 15084 1 . TRP 6 6 15084 1 . GLN 7 7 15084 1 . VAL 8 8 15084 1 . TYR 9 9 15084 1 . ALA 10 10 15084 1 . GLN 11 11 15084 1 . GLU 12 12 15084 1 . ASN 13 13 15084 1 . TYR 14 14 15084 1 . GLU 15 15 15084 1 . GLU 16 16 15084 1 . PHE 17 17 15084 1 . LEU 18 18 15084 1 . LYS 19 19 15084 1 . ALA 20 20 15084 1 . LEU 21 21 15084 1 . ALA 22 22 15084 1 . LEU 23 23 15084 1 . PRO 24 24 15084 1 . GLU 25 25 15084 1 . ASP 26 26 15084 1 . LEU 27 27 15084 1 . ILE 28 28 15084 1 . LYS 29 29 15084 1 . MET 30 30 15084 1 . ALA 31 31 15084 1 . ARG 32 32 15084 1 . ASP 33 33 15084 1 . ILE 34 34 15084 1 . LYS 35 35 15084 1 . PRO 36 36 15084 1 . ILE 37 37 15084 1 . VAL 38 38 15084 1 . GLU 39 39 15084 1 . ILE 40 40 15084 1 . GLN 41 41 15084 1 . GLN 42 42 15084 1 . LYS 43 43 15084 1 . GLY 44 44 15084 1 . ASP 45 45 15084 1 . ASP 46 46 15084 1 . PHE 47 47 15084 1 . VAL 48 48 15084 1 . VAL 49 49 15084 1 . THR 50 50 15084 1 . SER 51 51 15084 1 . LYS 52 52 15084 1 . THR 53 53 15084 1 . PRO 54 54 15084 1 . ARG 55 55 15084 1 . GLN 56 56 15084 1 . THR 57 57 15084 1 . VAL 58 58 15084 1 . THR 59 59 15084 1 . ASN 60 60 15084 1 . SER 61 61 15084 1 . PHE 62 62 15084 1 . THR 63 63 15084 1 . LEU 64 64 15084 1 . GLY 65 65 15084 1 . LYS 66 66 15084 1 . GLU 67 67 15084 1 . ALA 68 68 15084 1 . ASP 69 69 15084 1 . ILE 70 70 15084 1 . THR 71 71 15084 1 . THR 72 72 15084 1 . MET 73 73 15084 1 . ASP 74 74 15084 1 . GLY 75 75 15084 1 . LYS 76 76 15084 1 . LYS 77 77 15084 1 . LEU 78 78 15084 1 . LYS 79 79 15084 1 . CYS 80 80 15084 1 . THR 81 81 15084 1 . VAL 82 82 15084 1 . HIS 83 83 15084 1 . LEU 84 84 15084 1 . ALA 85 85 15084 1 . ASN 86 86 15084 1 . GLY 87 87 15084 1 . LYS 88 88 15084 1 . LEU 89 89 15084 1 . VAL 90 90 15084 1 . THR 91 91 15084 1 . LYS 92 92 15084 1 . SER 93 93 15084 1 . GLU 94 94 15084 1 . LYS 95 95 15084 1 . PHE 96 96 15084 1 . SER 97 97 15084 1 . HIS 98 98 15084 1 . GLU 99 99 15084 1 . GLN 100 100 15084 1 . GLU 101 101 15084 1 . VAL 102 102 15084 1 . LYS 103 103 15084 1 . GLY 104 104 15084 1 . ASN 105 105 15084 1 . GLU 106 106 15084 1 . MET 107 107 15084 1 . VAL 108 108 15084 1 . GLU 109 109 15084 1 . THR 110 110 15084 1 . ILE 111 111 15084 1 . THR 112 112 15084 1 . PHE 113 113 15084 1 . GLY 114 114 15084 1 . GLY 115 115 15084 1 . VAL 116 116 15084 1 . THR 117 117 15084 1 . LEU 118 118 15084 1 . ILE 119 119 15084 1 . ARG 120 120 15084 1 . ARG 121 121 15084 1 . SER 122 122 15084 1 . LYS 123 123 15084 1 . ARG 124 124 15084 1 . VAL 125 125 15084 1 stop_ save_ save_JN3 _Entity.Sf_category entity _Entity.Sf_framecode JN3 _Entity.Entry_ID 15084 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name JN3 _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 no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID JN3 _Entity.Nonpolymer_comp_label $chem_comp_JN3 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . JN3 . 15084 2 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 15084 _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 $cl-BABP . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 15084 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 15084 _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 $cl-BABP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET24d . . . . . . 15084 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_JN3 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_JN3 _Chem_comp.Entry_ID 15084 _Chem_comp.ID JN3 _Chem_comp.Provenance . _Chem_comp.Name 'CHENODEOXYCHOLIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code JN3 _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date 2007-01-02 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code JN3 _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 '(3ALPHA,5ALPHA,7BETA,8ALPHA,17ALPHA)-3,7-DIHYDROXYCHOLAN-24-OIC ACID' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C24 H40 O4' _Chem_comp.Formula_weight 392.572 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 5 10:50:22 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C SMILES 'OpenEye OEToolkits' 1.5.0 15084 JN3 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15084 JN3 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C SMILES_CANONICAL CACTVS 3.341 15084 JN3 C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C SMILES CACTVS 3.341 15084 JN3 InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 InChI InChI 1.03 15084 JN3 O=C(O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C SMILES ACDLabs 10.04 15084 JN3 RUDATBOHQWOJDD-BSWAIDMHSA-N InChIKey InChI 1.03 15084 JN3 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(3alpha,5alpha,7beta,8alpha,17alpha)-3,7-dihydroxycholan-24-oic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 15084 JN3 '(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15084 JN3 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 C1 . C1 . . C . . N 0 . . . . no no . . . . -3.242 . 2.450 . -7.283 . 1.271 -6.281 2.615 1 . 15084 JN3 C2 . C2 . . C . . N 0 . . . . no no . . . . -1.801 . 1.975 . -7.134 . 1.810 -5.735 3.930 2 . 15084 JN3 C3 . C3 . . C . . R 0 . . . . no no . . . . -1.668 . 1.330 . -5.663 . 0.671 -5.279 4.831 3 . 15084 JN3 O3 . O3 . . O . . N 0 . . . . no no . . . . -0.327 . 0.906 . -5.447 . 1.204 -4.698 6.017 4 . 15084 JN3 C4 . C4 . . C . . N 0 . . . . no no . . . . -2.060 . 2.370 . -4.608 . -0.199 -4.241 4.129 5 . 15084 JN3 C5 . C5 . . C . . S 0 . . . . no no . . . . -3.565 . 2.841 . -4.838 . -0.744 -4.747 2.776 6 . 15084 JN3 C6 . C6 . . C . . N 0 . . . . no no . . . . -4.053 . 3.853 . -3.761 . -1.632 -3.682 2.101 7 . 15084 JN3 C7 . C7 . . C . . R 0 . . . . no no . . . . -3.196 . 5.169 . -3.779 . -0.864 -2.527 1.453 8 . 15084 JN3 O7 . O7 . . O . . N 0 . . . . no no . . . . -1.821 . 4.853 . -3.589 . -0.353 -1.654 2.455 9 . 15084 JN3 C8 . C8 . . C . . S 0 . . . . no no . . . . -3.356 . 5.930 . -5.147 . 0.275 -3.018 0.538 10 . 15084 JN3 C9 . C9 . . C . . S 0 . . . . no no . . . . -2.814 . 4.905 . -6.320 . 1.202 -4.054 1.260 11 . 15084 JN3 C10 . C10 . . C . . S 0 . . . . no no . . . . -3.702 . 3.469 . -6.273 . 0.381 -5.276 1.825 12 . 15084 JN3 C11 . C11 . . C . . N 0 . . . . no no . . . . -2.974 . 5.634 . -7.702 . 2.414 -4.464 0.378 13 . 15084 JN3 C12 . C12 . . C . . N 0 . . . . no no . . . . -2.099 . 6.934 . -7.751 . 3.172 -3.273 -0.233 14 . 15084 JN3 C13 . C13 . . C . . R 0 . . . . no no . . . . -2.598 . 7.983 . -6.688 . 2.228 -2.324 -0.980 15 . 15084 JN3 C14 . C14 . . C . . S 0 . . . . no no . . . . -2.487 . 7.243 . -5.229 . 1.144 -1.863 0.018 16 . 15084 JN3 C15 . C15 . . C . . N 0 . . . . no no . . . . -2.862 . 8.390 . -4.251 . 0.467 -0.699 -0.701 17 . 15084 JN3 C16 . C16 . . C . . N 0 . . . . no no . . . . -2.240 . 9.646 . -4.935 . 1.608 -0.025 -1.484 18 . 15084 JN3 C17 . C17 . . C . . R 0 . . . . no no . . . . -1.733 . 9.203 . -6.364 . 2.841 -0.946 -1.333 19 . 15084 JN3 C18 . C18 . . C . . N 0 . . . . no no . . . . -4.200 . 8.386 . -6.952 . 1.672 -3.026 -2.244 20 . 15084 JN3 C19 . C19 . . C . . N 0 . . . . no no . . . . -5.212 . 3.760 . -6.566 . -0.264 -6.097 0.677 21 . 15084 JN3 C20 . C20 . . C . . R 0 . . . . no no . . . . -1.720 . 10.429 . -7.467 . 3.766 -0.900 -2.541 22 . 15084 JN3 C21 . C21 . . C . . N 0 . . . . no no . . . . -1.458 . 10.121 . -8.886 . 4.931 -1.876 -2.348 23 . 15084 JN3 C22 . C22 . . C . . N 0 . . . . no no . . . . -0.687 . 11.522 . -7.003 . 4.254 0.543 -2.782 24 . 15084 JN3 C23 . C23 . . C . . N 0 . . . . no no . . . . -1.157 . 12.972 . -7.088 . 5.249 0.673 -3.937 25 . 15084 JN3 O25 . O25 . . O . . N 0 . . . . no no . . . . 0.636 . 13.766 . -5.702 . 3.450 0.416 -5.559 26 . 15084 JN3 C24 . C24 . . C . . N 0 . . . . no no . . . . -0.568 . 13.812 . -6.042 . 4.629 0.284 -5.261 27 . 15084 JN3 O26 . O26 . . O . . N 0 . . . . no no . . . . -1.342 . 14.621 . -5.467 . 5.551 -0.251 -6.103 28 . 15084 JN3 H11 . H11 . . H . . N 0 . . . . no no . . . . -3.337 . 2.907 . -8.279 . 2.103 -6.640 2.000 29 . 15084 JN3 H12 . H12 . . H . . N 0 . . . . no no . . . . -3.872 . 1.562 . -7.126 . 0.677 -7.177 2.847 30 . 15084 JN3 H21 . H21 . . H . . N 0 . . . . no no . . . . -1.565 . 1.225 . -7.903 . 2.392 -6.512 4.442 31 . 15084 JN3 H22 . H22 . . H . . N 0 . . . . no no . . . . -1.098 . 2.811 . -7.260 . 2.513 -4.913 3.755 32 . 15084 JN3 H3 . H3 . . H . . N 0 . . . . no no . . . . -2.339 . 0.462 . -5.582 . 0.055 -6.136 5.127 33 . 15084 JN3 HO3 . HO3 . . H . . N 0 . . . . no no . . . . 0.114 . 0.812 . -6.283 . 1.736 -3.936 5.738 34 . 15084 JN3 H41 . H41 . . H . . N 0 . . . . no no . . . . -1.968 . 1.924 . -3.607 . 0.386 -3.324 4.014 35 . 15084 JN3 H42 . H42 . . H . . N 0 . . . . no no . . . . -1.392 . 3.240 . -4.694 . -1.033 -3.969 4.788 36 . 15084 JN3 H5 . H5 . . H . . N 0 . . . . no no . . . . -4.206 . 1.952 . -4.748 . -1.404 -5.594 3.018 37 . 15084 JN3 H61 . H61 . . H . . N 0 . . . . no no . . . . -5.103 . 4.110 . -3.966 . -2.239 -4.171 1.329 38 . 15084 JN3 H62 . H62 . . H . . N 0 . . . . no no . . . . -3.947 . 3.384 . -2.772 . -2.340 -3.287 2.840 39 . 15084 JN3 H7 . H7 . . H . . N 0 . . . . no no . . . . -3.554 . 5.817 . -2.965 . -1.569 -1.935 0.857 40 . 15084 JN3 HO7 . HO7 . . H . . N 0 . . . . no no . . . . -1.392 . 4.783 . -4.434 . 0.178 -0.985 1.995 41 . 15084 JN3 H8 . H8 . . H . . N 0 . . . . no no . . . . -4.410 . 6.222 . -5.261 . -0.203 -3.504 -0.318 42 . 15084 JN3 H9 . H9 . . H . . N 0 . . . . no no . . . . -1.757 . 4.645 . -6.164 . 1.642 -3.528 2.118 43 . 15084 JN3 H111 . H111 . . H . . N 0 . . . . no no . . . . -4.030 . 5.907 . -7.843 . 2.092 -5.131 -0.428 44 . 15084 JN3 H112 . H112 . . H . . N 0 . . . . no no . . . . -2.641 . 4.954 . -8.500 . 3.133 -5.032 0.978 45 . 15084 JN3 H121 . H121 . . H . . N 0 . . . . no no . . . . -1.053 . 6.671 . -7.533 . 3.685 -2.736 0.576 46 . 15084 JN3 H122 . H122 . . H . . N 0 . . . . no no . . . . -2.183 . 7.379 . -8.753 . 3.958 -3.644 -0.902 47 . 15084 JN3 H14 . H14 . . H . . N 0 . . . . no no . . . . -1.495 . 6.832 . -4.989 . 1.653 -1.426 0.893 48 . 15084 JN3 H151 . H151 . . H . . N 0 . . . . no no . . . . -3.952 . 8.487 . -4.135 . 0.000 0.000 0.000 49 . 15084 JN3 H152 . H152 . . H . . N 0 . . . . no no . . . . -2.490 . 8.226 . -3.229 . -0.312 -1.050 -1.387 50 . 15084 JN3 H161 . H161 . . H . . N 0 . . . . no no . . . . -1.400 . 10.027 . -4.336 . 1.315 0.104 -2.532 51 . 15084 JN3 H162 . H162 . . H . . N 0 . . . . no no . . . . -2.986 . 10.450 . -5.021 . 1.825 0.971 -1.082 52 . 15084 JN3 H17 . H17 . . H . . N 0 . . . . no no . . . . -0.668 . 8.928 . -6.393 . 3.420 -0.587 -0.470 53 . 15084 JN3 H181 . H181 . . H . . N 0 . . . . no no . . . . -4.720 . 8.474 . -5.987 . 0.749 -3.566 -2.009 54 . 15084 JN3 H182 . H182 . . H . . N 0 . . . . no no . . . . -4.253 . 9.346 . -7.486 . 1.453 -2.294 -3.026 55 . 15084 JN3 H183 . H183 . . H . . N 0 . . . . no no . . . . -4.680 . 7.602 . -7.557 . 2.399 -3.743 -2.637 56 . 15084 JN3 H191 . H191 . . H . . N 0 . . . . no no . . . . -5.764 . 3.828 . -5.617 . -1.136 -6.649 1.042 57 . 15084 JN3 H192 . H192 . . H . . N 0 . . . . no no . . . . -5.303 . 4.711 . -7.112 . -0.590 -5.436 -0.132 58 . 15084 JN3 H193 . H193 . . H . . N 0 . . . . no no . . . . -5.631 . 2.945 . -7.175 . 0.452 -6.815 0.268 59 . 15084 JN3 H20 . H20 . . H . . N 0 . . . . no no . . . . -2.770 . 10.757 . -7.469 . 3.196 -1.225 -3.424 60 . 15084 JN3 H211 . H211 . . H . . N 0 . . . . no no . . . . -1.393 . 11.058 . -9.459 . 4.819 -2.445 -1.418 61 . 15084 JN3 H212 . H212 . . H . . N 0 . . . . no no . . . . -0.509 . 9.572 . -8.973 . 5.005 -2.587 -3.177 62 . 15084 JN3 H213 . H213 . . H . . N 0 . . . . no no . . . . -2.277 . 9.504 . -9.284 . 5.882 -1.335 -2.300 63 . 15084 JN3 H221 . H221 . . H . . N 0 . . . . no no . . . . -0.446 . 11.318 . -5.949 . 3.394 1.200 -2.966 64 . 15084 JN3 H222 . H222 . . H . . N 0 . . . . no no . . . . 0.163 . 11.443 . -7.696 . 4.729 0.911 -1.863 65 . 15084 JN3 H231 . H231 . . H . . N 0 . . . . no no . . . . -0.864 . 13.377 . -8.068 . 5.590 1.711 -4.012 66 . 15084 JN3 H232 . H232 . . H . . N 0 . . . . no no . . . . -2.249 . 12.981 . -6.953 . 6.111 0.019 -3.771 67 . 15084 JN3 HO26 . HO26 . . H . . N 0 . . . . no no . . . . -0.859 . 15.111 . -4.812 . 5.202 -0.527 -6.977 68 . 15084 JN3 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 C1 C2 no N 1 . 15084 JN3 2 . SING C1 C10 no N 2 . 15084 JN3 3 . SING C1 H11 no N 3 . 15084 JN3 4 . SING C1 H12 no N 4 . 15084 JN3 5 . SING C2 C3 no N 5 . 15084 JN3 6 . SING C2 H21 no N 6 . 15084 JN3 7 . SING C2 H22 no N 7 . 15084 JN3 8 . SING C3 O3 no N 8 . 15084 JN3 9 . SING C3 C4 no N 9 . 15084 JN3 10 . SING C3 H3 no N 10 . 15084 JN3 11 . SING O3 HO3 no N 11 . 15084 JN3 12 . SING C4 C5 no N 12 . 15084 JN3 13 . SING C4 H41 no N 13 . 15084 JN3 14 . SING C4 H42 no N 14 . 15084 JN3 15 . SING C5 C10 no N 15 . 15084 JN3 16 . SING C5 C6 no N 16 . 15084 JN3 17 . SING C5 H5 no N 17 . 15084 JN3 18 . SING C6 C7 no N 18 . 15084 JN3 19 . SING C6 H61 no N 19 . 15084 JN3 20 . SING C6 H62 no N 20 . 15084 JN3 21 . SING C7 C8 no N 21 . 15084 JN3 22 . SING C7 O7 no N 22 . 15084 JN3 23 . SING C7 H7 no N 23 . 15084 JN3 24 . SING O7 HO7 no N 24 . 15084 JN3 25 . SING C8 C9 no N 25 . 15084 JN3 26 . SING C8 C14 no N 26 . 15084 JN3 27 . SING C8 H8 no N 27 . 15084 JN3 28 . SING C9 C11 no N 28 . 15084 JN3 29 . SING C9 C10 no N 29 . 15084 JN3 30 . SING C9 H9 no N 30 . 15084 JN3 31 . SING C10 C19 no N 31 . 15084 JN3 32 . SING C11 C12 no N 32 . 15084 JN3 33 . SING C11 H111 no N 33 . 15084 JN3 34 . SING C11 H112 no N 34 . 15084 JN3 35 . SING C12 C13 no N 35 . 15084 JN3 36 . SING C12 H121 no N 36 . 15084 JN3 37 . SING C12 H122 no N 37 . 15084 JN3 38 . SING C13 C18 no N 38 . 15084 JN3 39 . SING C13 C17 no N 39 . 15084 JN3 40 . SING C13 C14 no N 40 . 15084 JN3 41 . SING C14 C15 no N 41 . 15084 JN3 42 . SING C14 H14 no N 42 . 15084 JN3 43 . SING C15 C16 no N 43 . 15084 JN3 44 . SING C15 H151 no N 44 . 15084 JN3 45 . SING C15 H152 no N 45 . 15084 JN3 46 . SING C16 C17 no N 46 . 15084 JN3 47 . SING C16 H161 no N 47 . 15084 JN3 48 . SING C16 H162 no N 48 . 15084 JN3 49 . SING C17 C20 no N 49 . 15084 JN3 50 . SING C17 H17 no N 50 . 15084 JN3 51 . SING C18 H181 no N 51 . 15084 JN3 52 . SING C18 H182 no N 52 . 15084 JN3 53 . SING C18 H183 no N 53 . 15084 JN3 54 . SING C19 H191 no N 54 . 15084 JN3 55 . SING C19 H192 no N 55 . 15084 JN3 56 . SING C19 H193 no N 56 . 15084 JN3 57 . SING C20 C21 no N 57 . 15084 JN3 58 . SING C20 C22 no N 58 . 15084 JN3 59 . SING C20 H20 no N 59 . 15084 JN3 60 . SING C21 H211 no N 60 . 15084 JN3 61 . SING C21 H212 no N 61 . 15084 JN3 62 . SING C21 H213 no N 62 . 15084 JN3 63 . SING C22 C23 no N 63 . 15084 JN3 64 . SING C22 H221 no N 64 . 15084 JN3 65 . SING C22 H222 no N 65 . 15084 JN3 66 . SING C23 C24 no N 66 . 15084 JN3 67 . SING C23 H231 no N 67 . 15084 JN3 68 . SING C23 H232 no N 68 . 15084 JN3 69 . DOUB O25 C24 no N 69 . 15084 JN3 70 . SING C24 O26 no N 70 . 15084 JN3 71 . SING O26 HO26 no N 71 . 15084 JN3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15084 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _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 cl-BABP '[U-100% 13C; U-100% 15N]' . . 1 $cl-BABP . . 1.2 . . mM . . . . 15084 1 2 CDA 'natural abundance' . . 2 $JN3 . . 3 . . mM . . . . 15084 1 3 H2O . . . . . . . 90 . . % . . . . 15084 1 4 D2O . . . . . . . 10 . . % . . . . 15084 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15084 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '100% D2O' _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 cl-BABP '[U-100% 13C; U-100% 15N]' . . 1 $cl-BABP . . 1.2 . . mM . . . . 15084 2 2 CDA 'natural abundance' . . 2 $JN3 . . 3 . . mM . . . . 15084 2 3 H2O . . . . . . . 100 . . % . . . . 15084 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15084 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _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 cl-BABP '[U-100% 13C; U-100% 15N]' . . 1 $cl-BABP . . 1.2 . . mM . . . . 15084 3 2 CDA 'natural abundance' . . 2 $JN3 . . 3 . . mM . . . . 15084 3 3 H2O . . . . . . . 90 . . % . . . . 15084 3 4 D2O . . . . . . . 10 . . % . . . . 15084 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15084 _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 'ionic strength' 0.15 . M 15084 1 pH 7.0 . pH 15084 1 pressure 1 . atm 15084 1 temperature 298 . K 15084 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15084 _Sample_condition_list.ID 2 _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 'ionic strength' 0.15 . M 15084 2 pH 7.0 . pH 15084 2 pressure 1 . atm 15084 2 temperature 298 . K 15084 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 15084 _Sample_condition_list.ID 3 _Sample_condition_list.Details 'anisotropic sample: Pf1 14 mg/ml, NaCl 150 mM' 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 'ionic strength' 0.45 . M 15084 3 pH 7.0 . pH 15084 3 pressure 1 . atm 15084 3 temperature 298 . K 15084 3 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15084 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15084 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15084 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15084 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15084 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15084 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15084 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15084 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15084 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15084 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15084 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15084 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15084 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15084 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15084 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15084 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 15084 1 2 spectrometer_2 Bruker Avance . 400 . . . 15084 1 3 spectrometer_3 Bruker Avance . 500 . . . 15084 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15084 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15084 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15084 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15084 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15084 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15084 1 6 '3D (H)CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15084 1 7 '3D H(C)CH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15084 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15084 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15084 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15084 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15084 1 12 '3D 13C-edited 13C-filtered NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15084 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15084 _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 0.00 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 15084 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citation_1 . . 1 $citation_1 15084 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 15084 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15084 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '2D 1H-15N HSQC' . . . 15084 1 2 '3D HNCO' . . . 15084 1 5 '3D CBCA(CO)NH' . . . 15084 1 6 '3D (H)CCH-TOCSY' . . . 15084 1 7 '3D H(C)CH-TOCSY' . . . 15084 1 8 '3D 1H-13C NOESY' . . . 15084 1 10 '3D 1H-15N NOESY' . . . 15084 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRPipe . . 15084 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 ALA HA H 1 4.493 0.03 . 1 . . . . 1 ALA HA . 15084 1 2 . 1 1 1 1 ALA HB1 H 1 1.376 0.03 . 1 . . . . 1 ALA HB1 . 15084 1 3 . 1 1 1 1 ALA HB2 H 1 1.376 0.03 . 1 . . . . 1 ALA HB1 . 15084 1 4 . 1 1 1 1 ALA HB3 H 1 1.376 0.03 . 1 . . . . 1 ALA HB1 . 15084 1 5 . 1 1 1 1 ALA C C 13 177.300 0.1 . 1 . . . . 1 ALA C . 15084 1 6 . 1 1 1 1 ALA CA C 13 52.720 0.1 . 1 . . . . 1 ALA CA . 15084 1 7 . 1 1 1 1 ALA CB C 13 18.890 0.1 . 1 . . . . 1 ALA CB . 15084 1 8 . 1 1 2 2 PHE H H 1 8.436 0.03 . 1 . . . . 2 PHE HN . 15084 1 9 . 1 1 2 2 PHE HA H 1 4.382 0.03 . 1 . . . . 2 PHE HA . 15084 1 10 . 1 1 2 2 PHE HB2 H 1 2.960 0.03 . 2 . . . . 2 PHE HB1 . 15084 1 11 . 1 1 2 2 PHE HB3 H 1 3.288 0.03 . 2 . . . . 2 PHE HB2 . 15084 1 12 . 1 1 2 2 PHE HD1 H 1 7.320 0.03 . 1 . . . . 2 PHE HD1 . 15084 1 13 . 1 1 2 2 PHE HD2 H 1 7.320 0.03 . 1 . . . . 2 PHE HD2 . 15084 1 14 . 1 1 2 2 PHE HE1 H 1 7.180 0.03 . 1 . . . . 2 PHE HE1 . 15084 1 15 . 1 1 2 2 PHE HE2 H 1 7.180 0.03 . 1 . . . . 2 PHE HE2 . 15084 1 16 . 1 1 2 2 PHE HZ H 1 7.520 0.03 . 1 . . . . 2 PHE HZ . 15084 1 17 . 1 1 2 2 PHE C C 13 175.500 0.1 . 1 . . . . 2 PHE C . 15084 1 18 . 1 1 2 2 PHE CA C 13 60.800 0.1 . 1 . . . . 2 PHE CA . 15084 1 19 . 1 1 2 2 PHE CB C 13 40.430 0.1 . 1 . . . . 2 PHE CB . 15084 1 20 . 1 1 2 2 PHE CD1 C 13 129.300 0.1 . 1 . . . . 2 PHE CD1 . 15084 1 21 . 1 1 2 2 PHE CD2 C 13 129.300 0.1 . 1 . . . . 2 PHE CD2 . 15084 1 22 . 1 1 2 2 PHE CZ C 13 128.900 0.1 . 1 . . . . 2 PHE CZ . 15084 1 23 . 1 1 2 2 PHE N N 15 116.200 0.1 . 1 . . . . 2 PHE N . 15084 1 24 . 1 1 3 3 SER H H 1 7.952 0.03 . 1 . . . . 3 SER HN . 15084 1 25 . 1 1 3 3 SER HA H 1 4.382 0.03 . 1 . . . . 3 SER HA . 15084 1 26 . 1 1 3 3 SER HB2 H 1 3.999 0.03 . 1 . . . . 3 SER HB1 . 15084 1 27 . 1 1 3 3 SER HB3 H 1 3.999 0.03 . 1 . . . . 3 SER HB2 . 15084 1 28 . 1 1 3 3 SER C C 13 174.100 0.1 . 1 . . . . 3 SER C . 15084 1 29 . 1 1 3 3 SER CA C 13 59.770 0.1 . 1 . . . . 3 SER CA . 15084 1 30 . 1 1 3 3 SER CB C 13 63.780 0.1 . 1 . . . . 3 SER CB . 15084 1 31 . 1 1 3 3 SER N N 15 111.150 0.1 . 1 . . . . 3 SER N . 15084 1 32 . 1 1 4 4 GLY H H 1 9.035 0.03 . 1 . . . . 4 GLY HN . 15084 1 33 . 1 1 4 4 GLY HA2 H 1 3.780 0.03 . 2 . . . . 4 GLY HA1 . 15084 1 34 . 1 1 4 4 GLY HA3 H 1 4.054 0.03 . 2 . . . . 4 GLY HA2 . 15084 1 35 . 1 1 4 4 GLY C C 13 170.700 0.1 . 1 . . . . 4 GLY C . 15084 1 36 . 1 1 4 4 GLY CA C 13 44.040 0.1 . 1 . . . . 4 GLY CA . 15084 1 37 . 1 1 4 4 GLY N N 15 111.300 0.1 . 1 . . . . 4 GLY N . 15084 1 38 . 1 1 5 5 THR H H 1 8.164 0.03 . 1 . . . . 5 THR HN . 15084 1 39 . 1 1 5 5 THR HA H 1 4.984 0.03 . 1 . . . . 5 THR HA . 15084 1 40 . 1 1 5 5 THR HB H 1 3.835 0.03 . 1 . . . . 5 THR HB . 15084 1 41 . 1 1 5 5 THR HG21 H 1 1.070 0.03 . 1 . . . . 5 THR HG21 . 15084 1 42 . 1 1 5 5 THR HG22 H 1 1.070 0.03 . 1 . . . . 5 THR HG21 . 15084 1 43 . 1 1 5 5 THR HG23 H 1 1.070 0.03 . 1 . . . . 5 THR HG21 . 15084 1 44 . 1 1 5 5 THR C C 13 172.500 0.1 . 1 . . . . 5 THR C . 15084 1 45 . 1 1 5 5 THR CA C 13 62.310 0.1 . 1 . . . . 5 THR CA . 15084 1 46 . 1 1 5 5 THR CB C 13 68.808 0.1 . 1 . . . . 5 THR CB . 15084 1 47 . 1 1 5 5 THR CG2 C 13 22.190 0.1 . 1 . . . . 5 THR CG2 . 15084 1 48 . 1 1 5 5 THR N N 15 117.600 0.1 . 1 . . . . 5 THR N . 15084 1 49 . 1 1 6 6 TRP H H 1 9.626 0.03 . 1 . . . . 6 TRP HN . 15084 1 50 . 1 1 6 6 TRP HA H 1 5.146 0.03 . 1 . . . . 6 TRP HA . 15084 1 51 . 1 1 6 6 TRP HB2 H 1 3.070 0.03 . 2 . . . . 6 TRP HB1 . 15084 1 52 . 1 1 6 6 TRP HB3 H 1 3.030 0.03 . 2 . . . . 6 TRP HB2 . 15084 1 53 . 1 1 6 6 TRP HD1 H 1 6.950 0.03 . 1 . . . . 6 TRP HD1 . 15084 1 54 . 1 1 6 6 TRP HE1 H 1 9.410 0.03 . 1 . . . . 6 TRP HE1 . 15084 1 55 . 1 1 6 6 TRP HE3 H 1 6.930 0.03 . 1 . . . . 6 TRP HE3 . 15084 1 56 . 1 1 6 6 TRP HZ2 H 1 7.300 0.03 . 1 . . . . 6 TRP HZ2 . 15084 1 57 . 1 1 6 6 TRP HZ3 H 1 6.780 0.03 . 1 . . . . 6 TRP HZ3 . 15084 1 58 . 1 1 6 6 TRP HH2 H 1 6.990 0.03 . 1 . . . . 6 TRP HH2 . 15084 1 59 . 1 1 6 6 TRP C C 13 174.900 0.1 . 1 . . . . 6 TRP C . 15084 1 60 . 1 1 6 6 TRP CA C 13 55.160 0.1 . 1 . . . . 6 TRP CA . 15084 1 61 . 1 1 6 6 TRP CB C 13 32.130 0.1 . 1 . . . . 6 TRP CB . 15084 1 62 . 1 1 6 6 TRP CD1 C 13 125.200 0.1 . 1 . . . . 6 TRP CD1 . 15084 1 63 . 1 1 6 6 TRP CE3 C 13 116.500 0.1 . 1 . . . . 6 TRP CE3 . 15084 1 64 . 1 1 6 6 TRP CZ2 C 13 112.200 0.1 . 1 . . . . 6 TRP CZ2 . 15084 1 65 . 1 1 6 6 TRP CH2 C 13 121.500 0.1 . 1 . . . . 6 TRP CH2 . 15084 1 66 . 1 1 6 6 TRP N N 15 127.300 0.1 . 1 . . . . 6 TRP N . 15084 1 67 . 1 1 7 7 GLN H H 1 9.287 0.03 . 1 . . . . 7 GLN HN . 15084 1 68 . 1 1 7 7 GLN HA H 1 4.929 0.03 . 1 . . . . 7 GLN HA . 15084 1 69 . 1 1 7 7 GLN HB2 H 1 1.960 0.03 . 2 . . . . 7 GLN HB1 . 15084 1 70 . 1 1 7 7 GLN HB3 H 1 2.085 0.03 . 2 . . . . 7 GLN HB2 . 15084 1 71 . 1 1 7 7 GLN HG2 H 1 2.207 0.03 . 2 . . . . 7 GLN HG1 . 15084 1 72 . 1 1 7 7 GLN HG3 H 1 2.404 0.03 . 2 . . . . 7 GLN HG2 . 15084 1 73 . 1 1 7 7 GLN C C 13 175.600 0.1 . 1 . . . . 7 GLN C . 15084 1 74 . 1 1 7 7 GLN CA C 13 53.900 0.1 . 1 . . . . 7 GLN CA . 15084 1 75 . 1 1 7 7 GLN CB C 13 31.900 0.1 . 1 . . . . 7 GLN CB . 15084 1 76 . 1 1 7 7 GLN CG C 13 33.600 0.1 . 1 . . . . 7 GLN CG . 15084 1 77 . 1 1 7 7 GLN CD C 13 179.240 0.1 . 1 . . . . 7 GLN CD . 15084 1 78 . 1 1 7 7 GLN N N 15 121.699 0.1 . 1 . . . . 7 GLN N . 15084 1 79 . 1 1 8 8 VAL H H 1 8.215 0.03 . 1 . . . . 8 VAL HN . 15084 1 80 . 1 1 8 8 VAL HA H 1 4.450 0.03 . 1 . . . . 8 VAL HA . 15084 1 81 . 1 1 8 8 VAL HB H 1 1.910 0.03 . 1 . . . . 8 VAL HB . 15084 1 82 . 1 1 8 8 VAL HG11 H 1 0.740 0.03 . 2 . . . . 8 VAL HG11 . 15084 1 83 . 1 1 8 8 VAL HG12 H 1 0.740 0.03 . 2 . . . . 8 VAL HG11 . 15084 1 84 . 1 1 8 8 VAL HG13 H 1 0.740 0.03 . 2 . . . . 8 VAL HG11 . 15084 1 85 . 1 1 8 8 VAL HG21 H 1 0.820 0.03 . 2 . . . . 8 VAL HG21 . 15084 1 86 . 1 1 8 8 VAL HG22 H 1 0.820 0.03 . 2 . . . . 8 VAL HG21 . 15084 1 87 . 1 1 8 8 VAL HG23 H 1 0.820 0.03 . 2 . . . . 8 VAL HG21 . 15084 1 88 . 1 1 8 8 VAL C C 13 175.100 0.1 . 1 . . . . 8 VAL C . 15084 1 89 . 1 1 8 8 VAL CA C 13 63.000 0.1 . 1 . . . . 8 VAL CA . 15084 1 90 . 1 1 8 8 VAL CB C 13 31.800 0.1 . 1 . . . . 8 VAL CB . 15084 1 91 . 1 1 8 8 VAL CG1 C 13 19.800 0.1 . 1 . . . . 8 VAL CG1 . 15084 1 92 . 1 1 8 8 VAL CG2 C 13 21.600 0.1 . 1 . . . . 8 VAL CG2 . 15084 1 93 . 1 1 8 8 VAL N N 15 131.184 0.1 . 1 . . . . 8 VAL N . 15084 1 94 . 1 1 9 9 TYR H H 1 9.519 0.03 . 1 . . . . 9 TYR HN . 15084 1 95 . 1 1 9 9 TYR HA H 1 5.082 0.03 . 1 . . . . 9 TYR HA . 15084 1 96 . 1 1 9 9 TYR HB2 H 1 2.796 0.03 . 2 . . . . 9 TYR HB1 . 15084 1 97 . 1 1 9 9 TYR HB3 H 1 3.343 0.03 . 2 . . . . 9 TYR HB2 . 15084 1 98 . 1 1 9 9 TYR HD1 H 1 7.098 0.03 . 1 . . . . 9 TYR HD1 . 15084 1 99 . 1 1 9 9 TYR HD2 H 1 7.098 0.03 . 1 . . . . 9 TYR HD2 . 15084 1 100 . 1 1 9 9 TYR HE1 H 1 6.796 0.03 . 3 . . . . 9 TYR HE1 . 15084 1 101 . 1 1 9 9 TYR HE2 H 1 6.790 0.03 . 3 . . . . 9 TYR HE2 . 15084 1 102 . 1 1 9 9 TYR C C 13 173.800 0.1 . 1 . . . . 9 TYR C . 15084 1 103 . 1 1 9 9 TYR CA C 13 56.480 0.1 . 1 . . . . 9 TYR CA . 15084 1 104 . 1 1 9 9 TYR CB C 13 40.690 0.1 . 1 . . . . 9 TYR CB . 15084 1 105 . 1 1 9 9 TYR CD1 C 13 131.500 0.1 . 1 . . . . 9 TYR CD1 . 15084 1 106 . 1 1 9 9 TYR CD2 C 13 131.500 0.1 . 1 . . . . 9 TYR CD2 . 15084 1 107 . 1 1 9 9 TYR CE1 C 13 116.100 0.1 . 1 . . . . 9 TYR CE1 . 15084 1 108 . 1 1 9 9 TYR CE2 C 13 116.100 0.1 . 1 . . . . 9 TYR CE2 . 15084 1 109 . 1 1 9 9 TYR N N 15 123.200 0.1 . 1 . . . . 9 TYR N . 15084 1 110 . 1 1 10 10 ALA H H 1 7.275 0.03 . 1 . . . . 10 ALA HN . 15084 1 111 . 1 1 10 10 ALA HA H 1 4.664 0.03 . 1 . . . . 10 ALA HA . 15084 1 112 . 1 1 10 10 ALA HB1 H 1 1.060 0.03 . 1 . . . . 10 ALA HB1 . 15084 1 113 . 1 1 10 10 ALA HB2 H 1 1.060 0.03 . 1 . . . . 10 ALA HB1 . 15084 1 114 . 1 1 10 10 ALA HB3 H 1 1.060 0.03 . 1 . . . . 10 ALA HB1 . 15084 1 115 . 1 1 10 10 ALA C C 13 174.800 0.1 . 1 . . . . 10 ALA C . 15084 1 116 . 1 1 10 10 ALA CA C 13 51.780 0.1 . 1 . . . . 10 ALA CA . 15084 1 117 . 1 1 10 10 ALA CB C 13 21.650 0.1 . 1 . . . . 10 ALA CB . 15084 1 118 . 1 1 10 10 ALA N N 15 125.600 0.1 . 1 . . . . 10 ALA N . 15084 1 119 . 1 1 11 11 GLN H H 1 8.729 0.03 . 1 . . . . 11 GLN HN . 15084 1 120 . 1 1 11 11 GLN HA H 1 5.199 0.03 . 1 . . . . 11 GLN HA . 15084 1 121 . 1 1 11 11 GLN HB2 H 1 1.670 0.03 . 1 . . . . 11 GLN HB1 . 15084 1 122 . 1 1 11 11 GLN HB3 H 1 1.670 0.03 . 1 . . . . 11 GLN HB2 . 15084 1 123 . 1 1 11 11 GLN HG2 H 1 1.720 0.03 . 2 . . . . 11 GLN HG1 . 15084 1 124 . 1 1 11 11 GLN HG3 H 1 1.910 0.03 . 2 . . . . 11 GLN HG2 . 15084 1 125 . 1 1 11 11 GLN C C 13 174.000 0.1 . 1 . . . . 11 GLN C . 15084 1 126 . 1 1 11 11 GLN CA C 13 54.050 0.1 . 1 . . . . 11 GLN CA . 15084 1 127 . 1 1 11 11 GLN CB C 13 31.600 0.1 . 1 . . . . 11 GLN CB . 15084 1 128 . 1 1 11 11 GLN CG C 13 34.300 0.1 . 1 . . . . 11 GLN CG . 15084 1 129 . 1 1 11 11 GLN CD C 13 177.200 0.1 . 1 . . . . 11 GLN CD . 15084 1 130 . 1 1 11 11 GLN N N 15 118.700 0.1 . 1 . . . . 11 GLN N . 15084 1 131 . 1 1 12 12 GLU H H 1 8.983 0.03 . 1 . . . . 12 GLU HN . 15084 1 132 . 1 1 12 12 GLU HA H 1 4.505 0.03 . 1 . . . . 12 GLU HA . 15084 1 133 . 1 1 12 12 GLU HB2 H 1 1.887 0.03 . 2 . . . . 12 GLU HB1 . 15084 1 134 . 1 1 12 12 GLU HB3 H 1 2.049 0.03 . 2 . . . . 12 GLU HB2 . 15084 1 135 . 1 1 12 12 GLU HG2 H 1 2.177 0.03 . 2 . . . . 12 GLU HG1 . 15084 1 136 . 1 1 12 12 GLU HG3 H 1 2.240 0.03 . 2 . . . . 12 GLU HG2 . 15084 1 137 . 1 1 12 12 GLU C C 13 175.400 0.1 . 1 . . . . 12 GLU C . 15084 1 138 . 1 1 12 12 GLU CA C 13 55.620 0.1 . 1 . . . . 12 GLU CA . 15084 1 139 . 1 1 12 12 GLU CB C 13 31.300 0.1 . 1 . . . . 12 GLU CB . 15084 1 140 . 1 1 12 12 GLU CG C 13 35.533 0.1 . 1 . . . . 12 GLU CG . 15084 1 141 . 1 1 12 12 GLU CD C 13 182.900 0.1 . 1 . . . . 12 GLU CD . 15084 1 142 . 1 1 12 12 GLU N N 15 123.700 0.1 . 1 . . . . 12 GLU N . 15084 1 143 . 1 1 13 13 ASN H H 1 9.083 0.03 . 1 . . . . 13 ASN HN . 15084 1 144 . 1 1 13 13 ASN HA H 1 4.701 0.03 . 1 . . . . 13 ASN HA . 15084 1 145 . 1 1 13 13 ASN HB2 H 1 3.370 0.03 . 2 . . . . 13 ASN HB1 . 15084 1 146 . 1 1 13 13 ASN HB3 H 1 3.206 0.03 . 2 . . . . 13 ASN HB2 . 15084 1 147 . 1 1 13 13 ASN HD21 H 1 7.040 0.03 . 2 . . . . 13 ASN HD21 . 15084 1 148 . 1 1 13 13 ASN HD22 H 1 7.680 0.03 . 2 . . . . 13 ASN HD22 . 15084 1 149 . 1 1 13 13 ASN C C 13 175.300 0.1 . 1 . . . . 13 ASN C . 15084 1 150 . 1 1 13 13 ASN CA C 13 53.900 0.1 . 1 . . . . 13 ASN CA . 15084 1 151 . 1 1 13 13 ASN CB C 13 36.647 0.1 . 1 . . . . 13 ASN CB . 15084 1 152 . 1 1 13 13 ASN CG C 13 178.590 0.1 . 1 . . . . 13 ASN CG . 15084 1 153 . 1 1 13 13 ASN N N 15 117.900 0.1 . 1 . . . . 13 ASN N . 15084 1 154 . 1 1 14 14 TYR H H 1 7.808 0.03 . 1 . . . . 14 TYR HN . 15084 1 155 . 1 1 14 14 TYR HA H 1 4.327 0.03 . 1 . . . . 14 TYR HA . 15084 1 156 . 1 1 14 14 TYR HB2 H 1 2.851 0.03 . 2 . . . . 14 TYR HB1 . 15084 1 157 . 1 1 14 14 TYR HB3 H 1 3.015 0.03 . 2 . . . . 14 TYR HB2 . 15084 1 158 . 1 1 14 14 TYR HD1 H 1 7.055 0.03 . 1 . . . . 14 TYR HD1 . 15084 1 159 . 1 1 14 14 TYR HD2 H 1 7.055 0.03 . 1 . . . . 14 TYR HD2 . 15084 1 160 . 1 1 14 14 TYR HE1 H 1 6.840 0.03 . 1 . . . . 14 TYR HE1 . 15084 1 161 . 1 1 14 14 TYR HE2 H 1 6.840 0.03 . 1 . . . . 14 TYR HE2 . 15084 1 162 . 1 1 14 14 TYR C C 13 176.400 0.1 . 1 . . . . 14 TYR C . 15084 1 163 . 1 1 14 14 TYR CA C 13 60.340 0.1 . 1 . . . . 14 TYR CA . 15084 1 164 . 1 1 14 14 TYR CB C 13 39.040 0.1 . 1 . . . . 14 TYR CB . 15084 1 165 . 1 1 14 14 TYR CD1 C 13 129.900 0.1 . 1 . . . . 14 TYR CD1 . 15084 1 166 . 1 1 14 14 TYR CD2 C 13 129.900 0.1 . 1 . . . . 14 TYR CD2 . 15084 1 167 . 1 1 14 14 TYR CE1 C 13 115.500 0.1 . 1 . . . . 14 TYR CE1 . 15084 1 168 . 1 1 14 14 TYR CE2 C 13 115.500 0.1 . 1 . . . . 14 TYR CE2 . 15084 1 169 . 1 1 14 14 TYR N N 15 118.000 0.1 . 1 . . . . 14 TYR N . 15084 1 170 . 1 1 15 15 GLU H H 1 8.954 0.03 . 1 . . . . 15 GLU HN . 15084 1 171 . 1 1 15 15 GLU HA H 1 3.479 0.03 . 1 . . . . 15 GLU HA . 15084 1 172 . 1 1 15 15 GLU HB2 H 1 1.976 0.03 . 2 . . . . 15 GLU HB1 . 15084 1 173 . 1 1 15 15 GLU HB3 H 1 1.920 0.03 . 2 . . . . 15 GLU HB2 . 15084 1 174 . 1 1 15 15 GLU HG2 H 1 2.167 0.03 . 2 . . . . 15 GLU HG1 . 15084 1 175 . 1 1 15 15 GLU HG3 H 1 2.216 0.03 . 2 . . . . 15 GLU HG2 . 15084 1 176 . 1 1 15 15 GLU C C 13 178.600 0.1 . 1 . . . . 15 GLU C . 15084 1 177 . 1 1 15 15 GLU CA C 13 60.770 0.1 . 1 . . . . 15 GLU CA . 15084 1 178 . 1 1 15 15 GLU CB C 13 28.390 0.1 . 1 . . . . 15 GLU CB . 15084 1 179 . 1 1 15 15 GLU CG C 13 37.000 0.1 . 1 . . . . 15 GLU CG . 15084 1 180 . 1 1 15 15 GLU CD C 13 183.040 0.1 . 1 . . . . 15 GLU CD . 15084 1 181 . 1 1 15 15 GLU N N 15 118.500 0.1 . 1 . . . . 15 GLU N . 15084 1 182 . 1 1 16 16 GLU H H 1 9.008 0.03 . 1 . . . . 16 GLU HN . 15084 1 183 . 1 1 16 16 GLU HA H 1 3.831 0.03 . 1 . . . . 16 GLU HA . 15084 1 184 . 1 1 16 16 GLU HB2 H 1 1.960 0.03 . 2 . . . . 16 GLU HB1 . 15084 1 185 . 1 1 16 16 GLU HB3 H 1 2.002 0.03 . 2 . . . . 16 GLU HB2 . 15084 1 186 . 1 1 16 16 GLU HG2 H 1 2.490 0.03 . 2 . . . . 16 GLU HG1 . 15084 1 187 . 1 1 16 16 GLU HG3 H 1 2.290 0.03 . 2 . . . . 16 GLU HG2 . 15084 1 188 . 1 1 16 16 GLU C C 13 179.000 0.1 . 1 . . . . 16 GLU C . 15084 1 189 . 1 1 16 16 GLU CA C 13 59.840 0.1 . 1 . . . . 16 GLU CA . 15084 1 190 . 1 1 16 16 GLU CB C 13 28.700 0.1 . 1 . . . . 16 GLU CB . 15084 1 191 . 1 1 16 16 GLU CG C 13 37.010 0.1 . 1 . . . . 16 GLU CG . 15084 1 192 . 1 1 16 16 GLU CD C 13 183.540 0.1 . 1 . . . . 16 GLU CD . 15084 1 193 . 1 1 16 16 GLU N N 15 118.300 0.1 . 1 . . . . 16 GLU N . 15084 1 194 . 1 1 17 17 PHE H H 1 8.313 0.03 . 1 . . . . 17 PHE HN . 15084 1 195 . 1 1 17 17 PHE HA H 1 3.941 0.03 . 1 . . . . 17 PHE HA . 15084 1 196 . 1 1 17 17 PHE HB2 H 1 3.281 0.03 . 2 . . . . 17 PHE HB1 . 15084 1 197 . 1 1 17 17 PHE HB3 H 1 3.164 0.03 . 2 . . . . 17 PHE HB2 . 15084 1 198 . 1 1 17 17 PHE HD1 H 1 6.920 0.03 . 1 . . . . 17 PHE HD1 . 15084 1 199 . 1 1 17 17 PHE HD2 H 1 6.920 0.03 . 1 . . . . 17 PHE HD2 . 15084 1 200 . 1 1 17 17 PHE HE1 H 1 7.150 0.03 . 1 . . . . 17 PHE HE1 . 15084 1 201 . 1 1 17 17 PHE HE2 H 1 7.150 0.03 . 1 . . . . 17 PHE HE2 . 15084 1 202 . 1 1 17 17 PHE HZ H 1 6.830 0.03 . 1 . . . . 17 PHE HZ . 15084 1 203 . 1 1 17 17 PHE C C 13 175.900 0.1 . 1 . . . . 17 PHE C . 15084 1 204 . 1 1 17 17 PHE CA C 13 62.290 0.1 . 1 . . . . 17 PHE CA . 15084 1 205 . 1 1 17 17 PHE CB C 13 40.100 0.1 . 1 . . . . 17 PHE CB . 15084 1 206 . 1 1 17 17 PHE CD1 C 13 129.600 0.1 . 1 . . . . 17 PHE CD1 . 15084 1 207 . 1 1 17 17 PHE CD2 C 13 129.600 0.1 . 1 . . . . 17 PHE CD2 . 15084 1 208 . 1 1 17 17 PHE CE1 C 13 129.100 0.1 . 1 . . . . 17 PHE CE1 . 15084 1 209 . 1 1 17 17 PHE CE2 C 13 129.100 0.1 . 1 . . . . 17 PHE CE2 . 15084 1 210 . 1 1 17 17 PHE CZ C 13 126.700 0.1 . 1 . . . . 17 PHE CZ . 15084 1 211 . 1 1 17 17 PHE N N 15 123.400 0.1 . 1 . . . . 17 PHE N . 15084 1 212 . 1 1 18 18 LEU H H 1 8.247 0.03 . 1 . . . . 18 LEU HN . 15084 1 213 . 1 1 18 18 LEU HA H 1 3.661 0.03 . 1 . . . . 18 LEU HA . 15084 1 214 . 1 1 18 18 LEU HB2 H 1 1.060 0.03 . 2 . . . . 18 LEU HB1 . 15084 1 215 . 1 1 18 18 LEU HB3 H 1 1.720 0.03 . 2 . . . . 18 LEU HB2 . 15084 1 216 . 1 1 18 18 LEU HG H 1 1.550 0.03 . 1 . . . . 18 LEU HG . 15084 1 217 . 1 1 18 18 LEU HD11 H 1 0.210 0.03 . 2 . . . . 18 LEU HD11 . 15084 1 218 . 1 1 18 18 LEU HD12 H 1 0.210 0.03 . 2 . . . . 18 LEU HD11 . 15084 1 219 . 1 1 18 18 LEU HD13 H 1 0.210 0.03 . 2 . . . . 18 LEU HD11 . 15084 1 220 . 1 1 18 18 LEU HD21 H 1 0.580 0.03 . 2 . . . . 18 LEU HD21 . 15084 1 221 . 1 1 18 18 LEU HD22 H 1 0.580 0.03 . 2 . . . . 18 LEU HD21 . 15084 1 222 . 1 1 18 18 LEU HD23 H 1 0.580 0.03 . 2 . . . . 18 LEU HD21 . 15084 1 223 . 1 1 18 18 LEU C C 13 178.900 0.1 . 1 . . . . 18 LEU C . 15084 1 224 . 1 1 18 18 LEU CA C 13 57.860 0.1 . 1 . . . . 18 LEU CA . 15084 1 225 . 1 1 18 18 LEU CB C 13 40.550 0.1 . 1 . . . . 18 LEU CB . 15084 1 226 . 1 1 18 18 LEU CG C 13 25.420 0.1 . 1 . . . . 18 LEU CG . 15084 1 227 . 1 1 18 18 LEU CD1 C 13 25.090 0.1 . 1 . . . . 18 LEU CD1 . 15084 1 228 . 1 1 18 18 LEU CD2 C 13 21.550 0.1 . 1 . . . . 18 LEU CD2 . 15084 1 229 . 1 1 18 18 LEU N N 15 116.800 0.1 . 1 . . . . 18 LEU N . 15084 1 230 . 1 1 19 19 LYS H H 1 7.753 0.03 . 1 . . . . 19 LYS HN . 15084 1 231 . 1 1 19 19 LYS HA H 1 3.945 0.03 . 1 . . . . 19 LYS HA . 15084 1 232 . 1 1 19 19 LYS HB2 H 1 1.800 0.03 . 1 . . . . 19 LYS HB1 . 15084 1 233 . 1 1 19 19 LYS HB3 H 1 1.800 0.03 . 1 . . . . 19 LYS HB2 . 15084 1 234 . 1 1 19 19 LYS HG2 H 1 1.539 0.03 . 2 . . . . 19 LYS HG1 . 15084 1 235 . 1 1 19 19 LYS HG3 H 1 1.350 0.03 . 2 . . . . 19 LYS HG2 . 15084 1 236 . 1 1 19 19 LYS HD2 H 1 1.660 0.03 . 1 . . . . 19 LYS HD1 . 15084 1 237 . 1 1 19 19 LYS HD3 H 1 1.660 0.03 . 1 . . . . 19 LYS HD2 . 15084 1 238 . 1 1 19 19 LYS HE2 H 1 2.860 0.03 . 1 . . . . 19 LYS HE1 . 15084 1 239 . 1 1 19 19 LYS HE3 H 1 2.860 0.03 . 1 . . . . 19 LYS HE2 . 15084 1 240 . 1 1 19 19 LYS C C 13 180.400 0.1 . 1 . . . . 19 LYS C . 15084 1 241 . 1 1 19 19 LYS CA C 13 58.820 0.1 . 1 . . . . 19 LYS CA . 15084 1 242 . 1 1 19 19 LYS CB C 13 31.500 0.1 . 1 . . . . 19 LYS CB . 15084 1 243 . 1 1 19 19 LYS CG C 13 25.108 0.1 . 1 . . . . 19 LYS CG . 15084 1 244 . 1 1 19 19 LYS CD C 13 28.500 0.1 . 1 . . . . 19 LYS CD . 15084 1 245 . 1 1 19 19 LYS CE C 13 41.700 0.1 . 1 . . . . 19 LYS CE . 15084 1 246 . 1 1 19 19 LYS N N 15 116.400 0.1 . 1 . . . . 19 LYS N . 15084 1 247 . 1 1 20 20 ALA H H 1 7.914 0.03 . 1 . . . . 20 ALA HN . 15084 1 248 . 1 1 20 20 ALA HA H 1 4.102 0.03 . 1 . . . . 20 ALA HA . 15084 1 249 . 1 1 20 20 ALA HB1 H 1 1.484 0.03 . 1 . . . . 20 ALA HB1 . 15084 1 250 . 1 1 20 20 ALA HB2 H 1 1.484 0.03 . 1 . . . . 20 ALA HB1 . 15084 1 251 . 1 1 20 20 ALA HB3 H 1 1.484 0.03 . 1 . . . . 20 ALA HB1 . 15084 1 252 . 1 1 20 20 ALA C C 13 178.800 0.1 . 1 . . . . 20 ALA C . 15084 1 253 . 1 1 20 20 ALA CA C 13 54.800 0.1 . 1 . . . . 20 ALA CA . 15084 1 254 . 1 1 20 20 ALA CB C 13 17.430 0.1 . 1 . . . . 20 ALA CB . 15084 1 255 . 1 1 20 20 ALA N N 15 126.400 0.1 . 1 . . . . 20 ALA N . 15084 1 256 . 1 1 21 21 LEU H H 1 7.360 0.03 . 1 . . . . 21 LEU HN . 15084 1 257 . 1 1 21 21 LEU HA H 1 3.349 0.03 . 1 . . . . 21 LEU HA . 15084 1 258 . 1 1 21 21 LEU HB2 H 1 1.101 0.03 . 2 . . . . 21 LEU HB1 . 15084 1 259 . 1 1 21 21 LEU HB3 H 1 1.265 0.03 . 2 . . . . 21 LEU HB2 . 15084 1 260 . 1 1 21 21 LEU HG H 1 0.888 0.03 . 1 . . . . 21 LEU HG . 15084 1 261 . 1 1 21 21 LEU HD11 H 1 -0.164 0.03 . 2 . . . . 21 LEU HD11 . 15084 1 262 . 1 1 21 21 LEU HD12 H 1 -0.164 0.03 . 2 . . . . 21 LEU HD11 . 15084 1 263 . 1 1 21 21 LEU HD13 H 1 -0.164 0.03 . 2 . . . . 21 LEU HD11 . 15084 1 264 . 1 1 21 21 LEU HD21 H 1 0.185 0.03 . 2 . . . . 21 LEU HD21 . 15084 1 265 . 1 1 21 21 LEU HD22 H 1 0.185 0.03 . 2 . . . . 21 LEU HD21 . 15084 1 266 . 1 1 21 21 LEU HD23 H 1 0.185 0.03 . 2 . . . . 21 LEU HD21 . 15084 1 267 . 1 1 21 21 LEU C C 13 176.000 0.1 . 1 . . . . 21 LEU C . 15084 1 268 . 1 1 21 21 LEU CA C 13 55.000 0.1 . 1 . . . . 21 LEU CA . 15084 1 269 . 1 1 21 21 LEU CB C 13 42.630 0.1 . 1 . . . . 21 LEU CB . 15084 1 270 . 1 1 21 21 LEU CG C 13 24.770 0.1 . 1 . . . . 21 LEU CG . 15084 1 271 . 1 1 21 21 LEU CD1 C 13 22.190 0.1 . 1 . . . . 21 LEU CD1 . 15084 1 272 . 1 1 21 21 LEU CD2 C 13 24.780 0.1 . 1 . . . . 21 LEU CD2 . 15084 1 273 . 1 1 21 21 LEU N N 15 116.700 0.1 . 1 . . . . 21 LEU N . 15084 1 274 . 1 1 22 22 ALA H H 1 7.828 0.03 . 1 . . . . 22 ALA HN . 15084 1 275 . 1 1 22 22 ALA HA H 1 3.879 0.03 . 1 . . . . 22 ALA HA . 15084 1 276 . 1 1 22 22 ALA HB1 H 1 1.351 0.03 . 1 . . . . 22 ALA HB1 . 15084 1 277 . 1 1 22 22 ALA HB2 H 1 1.351 0.03 . 1 . . . . 22 ALA HB1 . 15084 1 278 . 1 1 22 22 ALA HB3 H 1 1.351 0.03 . 1 . . . . 22 ALA HB1 . 15084 1 279 . 1 1 22 22 ALA C C 13 177.000 0.1 . 1 . . . . 22 ALA C . 15084 1 280 . 1 1 22 22 ALA CA C 13 52.170 0.1 . 1 . . . . 22 ALA CA . 15084 1 281 . 1 1 22 22 ALA CB C 13 15.482 0.1 . 1 . . . . 22 ALA CB . 15084 1 282 . 1 1 22 22 ALA N N 15 118.200 0.1 . 1 . . . . 22 ALA N . 15084 1 283 . 1 1 23 23 LEU H H 1 6.823 0.03 . 1 . . . . 23 LEU HN . 15084 1 284 . 1 1 23 23 LEU HA H 1 4.350 0.03 . 1 . . . . 23 LEU HA . 15084 1 285 . 1 1 23 23 LEU HB2 H 1 1.260 0.03 . 1 . . . . 23 LEU HB1 . 15084 1 286 . 1 1 23 23 LEU HB3 H 1 1.260 0.03 . 1 . . . . 23 LEU HB2 . 15084 1 287 . 1 1 23 23 LEU HG H 1 1.620 0.03 . 1 . . . . 23 LEU HG . 15084 1 288 . 1 1 23 23 LEU HD11 H 1 0.720 0.03 . 2 . . . . 23 LEU HD11 . 15084 1 289 . 1 1 23 23 LEU HD12 H 1 0.720 0.03 . 2 . . . . 23 LEU HD11 . 15084 1 290 . 1 1 23 23 LEU HD13 H 1 0.720 0.03 . 2 . . . . 23 LEU HD11 . 15084 1 291 . 1 1 23 23 LEU HD21 H 1 0.710 0.03 . 2 . . . . 23 LEU HD21 . 15084 1 292 . 1 1 23 23 LEU HD22 H 1 0.710 0.03 . 2 . . . . 23 LEU HD21 . 15084 1 293 . 1 1 23 23 LEU HD23 H 1 0.710 0.03 . 2 . . . . 23 LEU HD21 . 15084 1 294 . 1 1 23 23 LEU C C 13 173.800 0.1 . 1 . . . . 23 LEU C . 15084 1 295 . 1 1 23 23 LEU CA C 13 53.290 0.1 . 1 . . . . 23 LEU CA . 15084 1 296 . 1 1 23 23 LEU CB C 13 40.340 0.1 . 1 . . . . 23 LEU CB . 15084 1 297 . 1 1 23 23 LEU CG C 13 26.500 0.1 . 1 . . . . 23 LEU CG . 15084 1 298 . 1 1 23 23 LEU CD1 C 13 26.478 0.1 . 1 . . . . 23 LEU CD1 . 15084 1 299 . 1 1 23 23 LEU CD2 C 13 22.460 0.1 . 1 . . . . 23 LEU CD2 . 15084 1 300 . 1 1 23 23 LEU N N 15 118.000 0.1 . 1 . . . . 23 LEU N . 15084 1 301 . 1 1 24 24 PRO HA H 1 4.385 0.03 . 1 . . . . 24 PRO HA . 15084 1 302 . 1 1 24 24 PRO HB2 H 1 1.921 0.03 . 2 . . . . 24 PRO HB1 . 15084 1 303 . 1 1 24 24 PRO HB3 H 1 2.448 0.03 . 2 . . . . 24 PRO HB2 . 15084 1 304 . 1 1 24 24 PRO HG2 H 1 2.090 0.03 . 1 . . . . 24 PRO HG1 . 15084 1 305 . 1 1 24 24 PRO HG3 H 1 2.090 0.03 . 1 . . . . 24 PRO HG2 . 15084 1 306 . 1 1 24 24 PRO HD2 H 1 3.950 0.03 . 2 . . . . 24 PRO HD1 . 15084 1 307 . 1 1 24 24 PRO HD3 H 1 3.440 0.03 . 2 . . . . 24 PRO HD2 . 15084 1 308 . 1 1 24 24 PRO C C 13 177.700 0.1 . 1 . . . . 24 PRO C . 15084 1 309 . 1 1 24 24 PRO CA C 13 62.320 0.1 . 1 . . . . 24 PRO CA . 15084 1 310 . 1 1 24 24 PRO CB C 13 31.910 0.1 . 1 . . . . 24 PRO CB . 15084 1 311 . 1 1 24 24 PRO CG C 13 27.800 0.1 . 1 . . . . 24 PRO CG . 15084 1 312 . 1 1 24 24 PRO CD C 13 15.000 0.1 . 1 . . . . 24 PRO CD . 15084 1 313 . 1 1 25 25 GLU H H 1 8.840 0.03 . 1 . . . . 25 GLU HN . 15084 1 314 . 1 1 25 25 GLU HA H 1 3.784 0.03 . 1 . . . . 25 GLU HA . 15084 1 315 . 1 1 25 25 GLU HB2 H 1 2.035 0.03 . 1 . . . . 25 GLU HB1 . 15084 1 316 . 1 1 25 25 GLU HB3 H 1 2.035 0.03 . 1 . . . . 25 GLU HB2 . 15084 1 317 . 1 1 25 25 GLU HG2 H 1 2.264 0.03 . 1 . . . . 25 GLU HG1 . 15084 1 318 . 1 1 25 25 GLU HG3 H 1 2.264 0.03 . 1 . . . . 25 GLU HG2 . 15084 1 319 . 1 1 25 25 GLU C C 13 178.200 0.1 . 1 . . . . 25 GLU C . 15084 1 320 . 1 1 25 25 GLU CA C 13 59.830 0.1 . 1 . . . . 25 GLU CA . 15084 1 321 . 1 1 25 25 GLU CB C 13 29.300 0.1 . 1 . . . . 25 GLU CB . 15084 1 322 . 1 1 25 25 GLU CG C 13 35.993 0.1 . 1 . . . . 25 GLU CG . 15084 1 323 . 1 1 25 25 GLU CD C 13 183.230 0.1 . 1 . . . . 25 GLU CD . 15084 1 324 . 1 1 25 25 GLU N N 15 123.700 0.1 . 1 . . . . 25 GLU N . 15084 1 325 . 1 1 26 26 ASP H H 1 8.905 0.03 . 1 . . . . 26 ASP HN . 15084 1 326 . 1 1 26 26 ASP HA H 1 4.294 0.03 . 1 . . . . 26 ASP HA . 15084 1 327 . 1 1 26 26 ASP HB2 H 1 2.503 0.03 . 2 . . . . 26 ASP HB1 . 15084 1 328 . 1 1 26 26 ASP HB3 H 1 2.636 0.03 . 2 . . . . 26 ASP HB2 . 15084 1 329 . 1 1 26 26 ASP C C 13 178.100 0.1 . 1 . . . . 26 ASP C . 15084 1 330 . 1 1 26 26 ASP CA C 13 56.700 0.1 . 1 . . . . 26 ASP CA . 15084 1 331 . 1 1 26 26 ASP CB C 13 39.500 0.1 . 1 . . . . 26 ASP CB . 15084 1 332 . 1 1 26 26 ASP CG C 13 179.280 0.1 . 1 . . . . 26 ASP CG . 15084 1 333 . 1 1 26 26 ASP N N 15 116.500 0.1 . 1 . . . . 26 ASP N . 15084 1 334 . 1 1 27 27 LEU H H 1 7.197 0.03 . 1 . . . . 27 LEU HN . 15084 1 335 . 1 1 27 27 LEU HA H 1 4.241 0.03 . 1 . . . . 27 LEU HA . 15084 1 336 . 1 1 27 27 LEU HB2 H 1 1.574 0.03 . 2 . . . . 27 LEU HB1 . 15084 1 337 . 1 1 27 27 LEU HB3 H 1 1.812 0.03 . 2 . . . . 27 LEU HB2 . 15084 1 338 . 1 1 27 27 LEU HG H 1 1.534 0.03 . 1 . . . . 27 LEU HG . 15084 1 339 . 1 1 27 27 LEU HD11 H 1 0.940 0.03 . 2 . . . . 27 LEU HD11 . 15084 1 340 . 1 1 27 27 LEU HD12 H 1 0.940 0.03 . 2 . . . . 27 LEU HD11 . 15084 1 341 . 1 1 27 27 LEU HD13 H 1 0.940 0.03 . 2 . . . . 27 LEU HD11 . 15084 1 342 . 1 1 27 27 LEU HD21 H 1 0.910 0.03 . 2 . . . . 27 LEU HD21 . 15084 1 343 . 1 1 27 27 LEU HD22 H 1 0.910 0.03 . 2 . . . . 27 LEU HD21 . 15084 1 344 . 1 1 27 27 LEU HD23 H 1 0.910 0.03 . 2 . . . . 27 LEU HD21 . 15084 1 345 . 1 1 27 27 LEU C C 13 177.800 0.1 . 1 . . . . 27 LEU C . 15084 1 346 . 1 1 27 27 LEU CA C 13 58.900 0.1 . 1 . . . . 27 LEU CA . 15084 1 347 . 1 1 27 27 LEU CB C 13 41.620 0.1 . 1 . . . . 27 LEU CB . 15084 1 348 . 1 1 27 27 LEU CG C 13 26.990 0.1 . 1 . . . . 27 LEU CG . 15084 1 349 . 1 1 27 27 LEU CD1 C 13 23.650 0.1 . 1 . . . . 27 LEU CD1 . 15084 1 350 . 1 1 27 27 LEU CD2 C 13 25.620 0.1 . 1 . . . . 27 LEU CD2 . 15084 1 351 . 1 1 27 27 LEU N N 15 121.700 0.1 . 1 . . . . 27 LEU N . 15084 1 352 . 1 1 28 28 ILE H H 1 7.835 0.03 . 1 . . . . 28 ILE HN . 15084 1 353 . 1 1 28 28 ILE HA H 1 3.179 0.03 . 1 . . . . 28 ILE HA . 15084 1 354 . 1 1 28 28 ILE HB H 1 1.770 0.03 . 1 . . . . 28 ILE HB . 15084 1 355 . 1 1 28 28 ILE HG12 H 1 1.530 0.03 . 1 . . . . 28 ILE HG11 . 15084 1 356 . 1 1 28 28 ILE HG13 H 1 1.530 0.03 . 1 . . . . 28 ILE HG12 . 15084 1 357 . 1 1 28 28 ILE HG21 H 1 0.738 0.03 . 1 . . . . 28 ILE HG21 . 15084 1 358 . 1 1 28 28 ILE HG22 H 1 0.738 0.03 . 1 . . . . 28 ILE HG21 . 15084 1 359 . 1 1 28 28 ILE HG23 H 1 0.738 0.03 . 1 . . . . 28 ILE HG21 . 15084 1 360 . 1 1 28 28 ILE HD11 H 1 0.605 0.03 . 1 . . . . 28 ILE HD11 . 15084 1 361 . 1 1 28 28 ILE HD12 H 1 0.605 0.03 . 1 . . . . 28 ILE HD11 . 15084 1 362 . 1 1 28 28 ILE HD13 H 1 0.605 0.03 . 1 . . . . 28 ILE HD11 . 15084 1 363 . 1 1 28 28 ILE C C 13 177.500 0.1 . 1 . . . . 28 ILE C . 15084 1 364 . 1 1 28 28 ILE CA C 13 66.508 0.1 . 1 . . . . 28 ILE CA . 15084 1 365 . 1 1 28 28 ILE CB C 13 37.110 0.1 . 1 . . . . 28 ILE CB . 15084 1 366 . 1 1 28 28 ILE CG1 C 13 29.550 0.1 . 1 . . . . 28 ILE CG1 . 15084 1 367 . 1 1 28 28 ILE CG2 C 13 16.290 0.1 . 1 . . . . 28 ILE CG2 . 15084 1 368 . 1 1 28 28 ILE CD1 C 13 47.860 0.1 . 1 . . . . 28 ILE CD1 . 15084 1 369 . 1 1 28 28 ILE N N 15 119.900 0.1 . 1 . . . . 28 ILE N . 15084 1 370 . 1 1 29 29 LYS H H 1 7.753 0.03 . 1 . . . . 29 LYS HN . 15084 1 371 . 1 1 29 29 LYS HA H 1 3.877 0.03 . 1 . . . . 29 LYS HA . 15084 1 372 . 1 1 29 29 LYS HB2 H 1 1.851 0.03 . 1 . . . . 29 LYS HB1 . 15084 1 373 . 1 1 29 29 LYS HB3 H 1 1.851 0.03 . 1 . . . . 29 LYS HB2 . 15084 1 374 . 1 1 29 29 LYS HG2 H 1 1.350 0.03 . 2 . . . . 29 LYS HG1 . 15084 1 375 . 1 1 29 29 LYS HG3 H 1 1.540 0.03 . 2 . . . . 29 LYS HG2 . 15084 1 376 . 1 1 29 29 LYS HD2 H 1 1.670 0.03 . 1 . . . . 29 LYS HD1 . 15084 1 377 . 1 1 29 29 LYS HD3 H 1 1.670 0.03 . 1 . . . . 29 LYS HD2 . 15084 1 378 . 1 1 29 29 LYS HE2 H 1 2.900 0.03 . 1 . . . . 29 LYS HE1 . 15084 1 379 . 1 1 29 29 LYS HE3 H 1 2.900 0.03 . 1 . . . . 29 LYS HE2 . 15084 1 380 . 1 1 29 29 LYS C C 13 179.100 0.1 . 1 . . . . 29 LYS C . 15084 1 381 . 1 1 29 29 LYS CA C 13 59.530 0.1 . 1 . . . . 29 LYS CA . 15084 1 382 . 1 1 29 29 LYS CB C 13 32.300 0.1 . 1 . . . . 29 LYS CB . 15084 1 383 . 1 1 29 29 LYS CG C 13 25.400 0.1 . 1 . . . . 29 LYS CG . 15084 1 384 . 1 1 29 29 LYS CD C 13 28.900 0.1 . 1 . . . . 29 LYS CD . 15084 1 385 . 1 1 29 29 LYS CE C 13 41.700 0.1 . 1 . . . . 29 LYS CE . 15084 1 386 . 1 1 29 29 LYS N N 15 116.400 0.1 . 1 . . . . 29 LYS N . 15084 1 387 . 1 1 30 30 MET H H 1 7.457 0.03 . 1 . . . . 30 MET HN . 15084 1 388 . 1 1 30 30 MET HA H 1 4.262 0.03 . 1 . . . . 30 MET HA . 15084 1 389 . 1 1 30 30 MET HB2 H 1 2.120 0.03 . 2 . . . . 30 MET HB1 . 15084 1 390 . 1 1 30 30 MET HB3 H 1 2.230 0.03 . 2 . . . . 30 MET HB2 . 15084 1 391 . 1 1 30 30 MET HG2 H 1 2.590 0.03 . 2 . . . . 30 MET HG1 . 15084 1 392 . 1 1 30 30 MET HG3 H 1 2.680 0.03 . 2 . . . . 30 MET HG2 . 15084 1 393 . 1 1 30 30 MET HE1 H 1 2.000 0.03 . 1 . . . . 30 MET HE1 . 15084 1 394 . 1 1 30 30 MET HE2 H 1 2.000 0.03 . 1 . . . . 30 MET HE1 . 15084 1 395 . 1 1 30 30 MET HE3 H 1 2.000 0.03 . 1 . . . . 30 MET HE1 . 15084 1 396 . 1 1 30 30 MET C C 13 177.700 0.1 . 1 . . . . 30 MET C . 15084 1 397 . 1 1 30 30 MET CA C 13 57.550 0.1 . 1 . . . . 30 MET CA . 15084 1 398 . 1 1 30 30 MET CB C 13 32.800 0.1 . 1 . . . . 30 MET CB . 15084 1 399 . 1 1 30 30 MET CG C 13 31.600 0.1 . 1 . . . . 30 MET CG . 15084 1 400 . 1 1 30 30 MET CE C 13 16.600 0.1 . 1 . . . . 30 MET CE . 15084 1 401 . 1 1 30 30 MET N N 15 116.900 0.1 . 1 . . . . 30 MET N . 15084 1 402 . 1 1 31 31 ALA H H 1 8.515 0.03 . 1 . . . . 31 ALA HN . 15084 1 403 . 1 1 31 31 ALA HA H 1 4.260 0.03 . 1 . . . . 31 ALA HA . 15084 1 404 . 1 1 31 31 ALA HB1 H 1 1.351 0.03 . 1 . . . . 31 ALA HB1 . 15084 1 405 . 1 1 31 31 ALA HB2 H 1 1.351 0.03 . 1 . . . . 31 ALA HB1 . 15084 1 406 . 1 1 31 31 ALA HB3 H 1 1.351 0.03 . 1 . . . . 31 ALA HB1 . 15084 1 407 . 1 1 31 31 ALA C C 13 179.900 0.1 . 1 . . . . 31 ALA C . 15084 1 408 . 1 1 31 31 ALA CA C 13 52.870 0.1 . 1 . . . . 31 ALA CA . 15084 1 409 . 1 1 31 31 ALA CB C 13 19.016 0.1 . 1 . . . . 31 ALA CB . 15084 1 410 . 1 1 31 31 ALA N N 15 120.200 0.1 . 1 . . . . 31 ALA N . 15084 1 411 . 1 1 32 32 ARG H H 1 7.724 0.03 . 1 . . . . 32 ARG HN . 15084 1 412 . 1 1 32 32 ARG HA H 1 4.038 0.03 . 1 . . . . 32 ARG HA . 15084 1 413 . 1 1 32 32 ARG HB2 H 1 1.820 0.03 . 2 . . . . 32 ARG HB1 . 15084 1 414 . 1 1 32 32 ARG HB3 H 1 1.999 0.03 . 2 . . . . 32 ARG HB2 . 15084 1 415 . 1 1 32 32 ARG HG2 H 1 1.669 0.03 . 2 . . . . 32 ARG HG1 . 15084 1 416 . 1 1 32 32 ARG HG3 H 1 1.788 0.03 . 2 . . . . 32 ARG HG2 . 15084 1 417 . 1 1 32 32 ARG HD2 H 1 3.199 0.03 . 1 . . . . 32 ARG HD1 . 15084 1 418 . 1 1 32 32 ARG HD3 H 1 3.199 0.03 . 1 . . . . 32 ARG HD2 . 15084 1 419 . 1 1 32 32 ARG C C 13 176.300 0.1 . 1 . . . . 32 ARG C . 15084 1 420 . 1 1 32 32 ARG CA C 13 60.320 0.1 . 1 . . . . 32 ARG CA . 15084 1 421 . 1 1 32 32 ARG CB C 13 30.180 0.1 . 1 . . . . 32 ARG CB . 15084 1 422 . 1 1 32 32 ARG CG C 13 26.670 0.1 . 1 . . . . 32 ARG CG . 15084 1 423 . 1 1 32 32 ARG CD C 13 43.370 0.1 . 1 . . . . 32 ARG CD . 15084 1 424 . 1 1 32 32 ARG N N 15 121.000 0.1 . 1 . . . . 32 ARG N . 15084 1 425 . 1 1 33 33 ASP H H 1 8.290 0.03 . 1 . . . . 33 ASP HN . 15084 1 426 . 1 1 33 33 ASP HA H 1 4.918 0.03 . 1 . . . . 33 ASP HA . 15084 1 427 . 1 1 33 33 ASP HB2 H 1 2.520 0.03 . 2 . . . . 33 ASP HB1 . 15084 1 428 . 1 1 33 33 ASP HB3 H 1 2.880 0.03 . 2 . . . . 33 ASP HB2 . 15084 1 429 . 1 1 33 33 ASP C C 13 175.500 0.1 . 1 . . . . 33 ASP C . 15084 1 430 . 1 1 33 33 ASP CA C 13 53.850 0.1 . 1 . . . . 33 ASP CA . 15084 1 431 . 1 1 33 33 ASP CB C 13 41.400 0.1 . 1 . . . . 33 ASP CB . 15084 1 432 . 1 1 33 33 ASP CG C 13 180.230 0.1 . 1 . . . . 33 ASP CG . 15084 1 433 . 1 1 33 33 ASP N N 15 116.000 0.1 . 1 . . . . 33 ASP N . 15084 1 434 . 1 1 34 34 ILE H H 1 7.257 0.03 . 1 . . . . 34 ILE HN . 15084 1 435 . 1 1 34 34 ILE HA H 1 4.085 0.03 . 1 . . . . 34 ILE HA . 15084 1 436 . 1 1 34 34 ILE HB H 1 1.931 0.03 . 1 . . . . 34 ILE HB . 15084 1 437 . 1 1 34 34 ILE HG12 H 1 1.380 0.03 . 1 . . . . 34 ILE HG11 . 15084 1 438 . 1 1 34 34 ILE HG13 H 1 1.660 0.03 . 1 . . . . 34 ILE HG12 . 15084 1 439 . 1 1 34 34 ILE HG21 H 1 0.840 0.03 . 1 . . . . 34 ILE HG21 . 15084 1 440 . 1 1 34 34 ILE HG22 H 1 0.840 0.03 . 1 . . . . 34 ILE HG21 . 15084 1 441 . 1 1 34 34 ILE HG23 H 1 0.840 0.03 . 1 . . . . 34 ILE HG21 . 15084 1 442 . 1 1 34 34 ILE HD11 H 1 0.890 0.03 . 1 . . . . 34 ILE HD11 . 15084 1 443 . 1 1 34 34 ILE HD12 H 1 0.890 0.03 . 1 . . . . 34 ILE HD11 . 15084 1 444 . 1 1 34 34 ILE HD13 H 1 0.890 0.03 . 1 . . . . 34 ILE HD11 . 15084 1 445 . 1 1 34 34 ILE C C 13 175.800 0.1 . 1 . . . . 34 ILE C . 15084 1 446 . 1 1 34 34 ILE CA C 13 60.280 0.1 . 1 . . . . 34 ILE CA . 15084 1 447 . 1 1 34 34 ILE CB C 13 37.500 0.1 . 1 . . . . 34 ILE CB . 15084 1 448 . 1 1 34 34 ILE CG1 C 13 27.600 0.1 . 1 . . . . 34 ILE CG1 . 15084 1 449 . 1 1 34 34 ILE CG2 C 13 17.379 0.1 . 1 . . . . 34 ILE CG2 . 15084 1 450 . 1 1 34 34 ILE CD1 C 13 46.960 0.1 . 1 . . . . 34 ILE CD1 . 15084 1 451 . 1 1 34 34 ILE N N 15 120.300 0.1 . 1 . . . . 34 ILE N . 15084 1 452 . 1 1 35 35 LYS H H 1 8.952 0.03 . 1 . . . . 35 LYS HN . 15084 1 453 . 1 1 35 35 LYS HA H 1 4.660 0.03 . 1 . . . . 35 LYS HA . 15084 1 454 . 1 1 35 35 LYS HB2 H 1 1.610 0.03 . 2 . . . . 35 LYS HB1 . 15084 1 455 . 1 1 35 35 LYS HB3 H 1 1.860 0.03 . 2 . . . . 35 LYS HB2 . 15084 1 456 . 1 1 35 35 LYS HG2 H 1 1.340 0.03 . 1 . . . . 35 LYS HG1 . 15084 1 457 . 1 1 35 35 LYS HG3 H 1 1.340 0.03 . 1 . . . . 35 LYS HG2 . 15084 1 458 . 1 1 35 35 LYS HD2 H 1 1.070 0.03 . 2 . . . . 35 LYS HD1 . 15084 1 459 . 1 1 35 35 LYS HD3 H 1 1.320 0.03 . 2 . . . . 35 LYS HD2 . 15084 1 460 . 1 1 35 35 LYS C C 13 172.800 0.1 . 1 . . . . 35 LYS C . 15084 1 461 . 1 1 35 35 LYS CA C 13 52.430 0.1 . 1 . . . . 35 LYS CA . 15084 1 462 . 1 1 35 35 LYS CB C 13 32.160 0.1 . 1 . . . . 35 LYS CB . 15084 1 463 . 1 1 35 35 LYS CG C 13 32.100 0.1 . 1 . . . . 35 LYS CG . 15084 1 464 . 1 1 35 35 LYS CD C 13 24.100 0.1 . 1 . . . . 35 LYS CD . 15084 1 465 . 1 1 35 35 LYS CE C 13 41.700 0.1 . 1 . . . . 35 LYS CE . 15084 1 466 . 1 1 35 35 LYS N N 15 130.400 0.1 . 1 . . . . 35 LYS N . 15084 1 467 . 1 1 36 36 PRO HA H 1 4.440 0.03 . 1 . . . . 36 PRO HA . 15084 1 468 . 1 1 36 36 PRO HB2 H 1 2.120 0.03 . 2 . . . . 36 PRO HB1 . 15084 1 469 . 1 1 36 36 PRO HB3 H 1 1.630 0.03 . 2 . . . . 36 PRO HB2 . 15084 1 470 . 1 1 36 36 PRO HG2 H 1 1.780 0.03 . 1 . . . . 36 PRO HG1 . 15084 1 471 . 1 1 36 36 PRO HG3 H 1 1.780 0.03 . 1 . . . . 36 PRO HG2 . 15084 1 472 . 1 1 36 36 PRO HD2 H 1 3.880 0.03 . 2 . . . . 36 PRO HD1 . 15084 1 473 . 1 1 36 36 PRO HD3 H 1 3.340 0.03 . 2 . . . . 36 PRO HD2 . 15084 1 474 . 1 1 36 36 PRO CA C 13 63.000 0.1 . 1 . . . . 36 PRO CA . 15084 1 475 . 1 1 36 36 PRO CB C 13 32.300 0.1 . 1 . . . . 36 PRO CB . 15084 1 476 . 1 1 36 36 PRO CG C 13 27.000 0.1 . 1 . . . . 36 PRO CG . 15084 1 477 . 1 1 36 36 PRO CD C 13 16.100 0.1 . 1 . . . . 36 PRO CD . 15084 1 478 . 1 1 37 37 ILE H H 1 8.420 0.03 . 1 . . . . 37 ILE HN . 15084 1 479 . 1 1 37 37 ILE HA H 1 4.820 0.03 . 1 . . . . 37 ILE HA . 15084 1 480 . 1 1 37 37 ILE HB H 1 1.671 0.03 . 1 . . . . 37 ILE HB . 15084 1 481 . 1 1 37 37 ILE HG12 H 1 1.060 0.03 . 1 . . . . 37 ILE HG11 . 15084 1 482 . 1 1 37 37 ILE HG13 H 1 0.864 0.03 . 1 . . . . 37 ILE HG12 . 15084 1 483 . 1 1 37 37 ILE HG21 H 1 0.874 0.03 . 1 . . . . 37 ILE HG21 . 15084 1 484 . 1 1 37 37 ILE HG22 H 1 0.874 0.03 . 1 . . . . 37 ILE HG21 . 15084 1 485 . 1 1 37 37 ILE HG23 H 1 0.874 0.03 . 1 . . . . 37 ILE HG21 . 15084 1 486 . 1 1 37 37 ILE HD11 H 1 0.860 0.03 . 1 . . . . 37 ILE HD11 . 15084 1 487 . 1 1 37 37 ILE HD12 H 1 0.860 0.03 . 1 . . . . 37 ILE HD11 . 15084 1 488 . 1 1 37 37 ILE HD13 H 1 0.860 0.03 . 1 . . . . 37 ILE HD11 . 15084 1 489 . 1 1 37 37 ILE C C 13 175.100 0.1 . 1 . . . . 37 ILE C . 15084 1 490 . 1 1 37 37 ILE CA C 13 59.970 0.1 . 1 . . . . 37 ILE CA . 15084 1 491 . 1 1 37 37 ILE CB C 13 39.918 0.1 . 1 . . . . 37 ILE CB . 15084 1 492 . 1 1 37 37 ILE CG1 C 13 28.470 0.1 . 1 . . . . 37 ILE CG1 . 15084 1 493 . 1 1 37 37 ILE CG2 C 13 17.414 0.1 . 1 . . . . 37 ILE CG2 . 15084 1 494 . 1 1 37 37 ILE CD1 C 13 48.000 0.1 . 1 . . . . 37 ILE CD1 . 15084 1 495 . 1 1 38 38 VAL H H 1 9.436 0.03 . 1 . . . . 38 VAL HN . 15084 1 496 . 1 1 38 38 VAL HA H 1 5.170 0.03 . 1 . . . . 38 VAL HA . 15084 1 497 . 1 1 38 38 VAL HB H 1 2.004 0.03 . 1 . . . . 38 VAL HB . 15084 1 498 . 1 1 38 38 VAL HG11 H 1 0.880 0.03 . 2 . . . . 38 VAL HG11 . 15084 1 499 . 1 1 38 38 VAL HG12 H 1 0.880 0.03 . 2 . . . . 38 VAL HG11 . 15084 1 500 . 1 1 38 38 VAL HG13 H 1 0.880 0.03 . 2 . . . . 38 VAL HG11 . 15084 1 501 . 1 1 38 38 VAL HG21 H 1 1.000 0.03 . 2 . . . . 38 VAL HG21 . 15084 1 502 . 1 1 38 38 VAL HG22 H 1 1.000 0.03 . 2 . . . . 38 VAL HG21 . 15084 1 503 . 1 1 38 38 VAL HG23 H 1 1.000 0.03 . 2 . . . . 38 VAL HG21 . 15084 1 504 . 1 1 38 38 VAL C C 13 174.500 0.1 . 1 . . . . 38 VAL C . 15084 1 505 . 1 1 38 38 VAL CA C 13 60.542 0.1 . 1 . . . . 38 VAL CA . 15084 1 506 . 1 1 38 38 VAL CB C 13 34.720 0.1 . 1 . . . . 38 VAL CB . 15084 1 507 . 1 1 38 38 VAL CG1 C 13 21.200 0.1 . 1 . . . . 38 VAL CG1 . 15084 1 508 . 1 1 38 38 VAL N N 15 128.700 0.1 . 1 . . . . 38 VAL N . 15084 1 509 . 1 1 39 39 GLU H H 1 9.525 0.03 . 1 . . . . 39 GLU HN . 15084 1 510 . 1 1 39 39 GLU HA H 1 5.413 0.03 . 1 . . . . 39 GLU HA . 15084 1 511 . 1 1 39 39 GLU HB2 H 1 2.051 0.03 . 2 . . . . 39 GLU HB1 . 15084 1 512 . 1 1 39 39 GLU HB3 H 1 1.989 0.03 . 2 . . . . 39 GLU HB2 . 15084 1 513 . 1 1 39 39 GLU HG2 H 1 2.176 0.03 . 2 . . . . 39 GLU HG1 . 15084 1 514 . 1 1 39 39 GLU HG3 H 1 2.270 0.03 . 2 . . . . 39 GLU HG2 . 15084 1 515 . 1 1 39 39 GLU C C 13 175.800 0.1 . 1 . . . . 39 GLU C . 15084 1 516 . 1 1 39 39 GLU CA C 13 54.250 0.1 . 1 . . . . 39 GLU CA . 15084 1 517 . 1 1 39 39 GLU CB C 13 31.900 0.1 . 1 . . . . 39 GLU CB . 15084 1 518 . 1 1 39 39 GLU CG C 13 36.000 0.1 . 1 . . . . 39 GLU CG . 15084 1 519 . 1 1 39 39 GLU CD C 13 183.160 0.1 . 1 . . . . 39 GLU CD . 15084 1 520 . 1 1 39 39 GLU N N 15 128.000 0.1 . 1 . . . . 39 GLU N . 15084 1 521 . 1 1 40 40 ILE H H 1 9.633 0.03 . 1 . . . . 40 ILE HN . 15084 1 522 . 1 1 40 40 ILE HA H 1 5.071 0.03 . 1 . . . . 40 ILE HA . 15084 1 523 . 1 1 40 40 ILE HB H 1 2.382 0.03 . 1 . . . . 40 ILE HB . 15084 1 524 . 1 1 40 40 ILE HG12 H 1 1.890 0.03 . 1 . . . . 40 ILE HG11 . 15084 1 525 . 1 1 40 40 ILE HG13 H 1 1.120 0.03 . 1 . . . . 40 ILE HG12 . 15084 1 526 . 1 1 40 40 ILE HG21 H 1 0.880 0.03 . 1 . . . . 40 ILE HG21 . 15084 1 527 . 1 1 40 40 ILE HG22 H 1 0.880 0.03 . 1 . . . . 40 ILE HG21 . 15084 1 528 . 1 1 40 40 ILE HG23 H 1 0.880 0.03 . 1 . . . . 40 ILE HG21 . 15084 1 529 . 1 1 40 40 ILE HD11 H 1 0.803 0.03 . 1 . . . . 40 ILE HD11 . 15084 1 530 . 1 1 40 40 ILE HD12 H 1 0.803 0.03 . 1 . . . . 40 ILE HD11 . 15084 1 531 . 1 1 40 40 ILE HD13 H 1 0.803 0.03 . 1 . . . . 40 ILE HD11 . 15084 1 532 . 1 1 40 40 ILE C C 13 175.600 0.1 . 1 . . . . 40 ILE C . 15084 1 533 . 1 1 40 40 ILE CA C 13 61.730 0.1 . 1 . . . . 40 ILE CA . 15084 1 534 . 1 1 40 40 ILE CB C 13 40.200 0.1 . 1 . . . . 40 ILE CB . 15084 1 535 . 1 1 40 40 ILE CG1 C 13 28.300 0.1 . 1 . . . . 40 ILE CG1 . 15084 1 536 . 1 1 40 40 ILE CG2 C 13 16.800 0.1 . 1 . . . . 40 ILE CG2 . 15084 1 537 . 1 1 40 40 ILE CD1 C 13 47.600 0.1 . 1 . . . . 40 ILE CD1 . 15084 1 538 . 1 1 40 40 ILE N N 15 125.800 0.1 . 1 . . . . 40 ILE N . 15084 1 539 . 1 1 41 41 GLN H H 1 9.262 0.03 . 1 . . . . 41 GLN HN . 15084 1 540 . 1 1 41 41 GLN HA H 1 4.661 0.03 . 1 . . . . 41 GLN HA . 15084 1 541 . 1 1 41 41 GLN HB2 H 1 1.997 0.03 . 2 . . . . 41 GLN HB1 . 15084 1 542 . 1 1 41 41 GLN HB3 H 1 1.900 0.03 . 2 . . . . 41 GLN HB2 . 15084 1 543 . 1 1 41 41 GLN HG2 H 1 2.230 0.03 . 1 . . . . 41 GLN HG1 . 15084 1 544 . 1 1 41 41 GLN HG3 H 1 2.230 0.03 . 1 . . . . 41 GLN HG2 . 15084 1 545 . 1 1 41 41 GLN C C 13 173.100 0.1 . 1 . . . . 41 GLN C . 15084 1 546 . 1 1 41 41 GLN CA C 13 54.610 0.1 . 1 . . . . 41 GLN CA . 15084 1 547 . 1 1 41 41 GLN CB C 13 31.180 0.1 . 1 . . . . 41 GLN CB . 15084 1 548 . 1 1 41 41 GLN CG C 13 33.300 0.1 . 1 . . . . 41 GLN CG . 15084 1 549 . 1 1 41 41 GLN CD C 13 180.010 0.1 . 1 . . . . 41 GLN CD . 15084 1 550 . 1 1 41 41 GLN N N 15 128.000 0.1 . 1 . . . . 41 GLN N . 15084 1 551 . 1 1 42 42 GLN H H 1 8.210 0.03 . 1 . . . . 42 GLN HN . 15084 1 552 . 1 1 42 42 GLN HA H 1 4.387 0.03 . 1 . . . . 42 GLN HA . 15084 1 553 . 1 1 42 42 GLN HB2 H 1 0.991 0.03 . 2 . . . . 42 GLN HB1 . 15084 1 554 . 1 1 42 42 GLN HB3 H 1 1.720 0.03 . 2 . . . . 42 GLN HB2 . 15084 1 555 . 1 1 42 42 GLN HG2 H 1 1.703 0.03 . 2 . . . . 42 GLN HG1 . 15084 1 556 . 1 1 42 42 GLN HG3 H 1 0.980 0.03 . 2 . . . . 42 GLN HG2 . 15084 1 557 . 1 1 42 42 GLN C C 13 174.000 0.1 . 1 . . . . 42 GLN C . 15084 1 558 . 1 1 42 42 GLN CA C 13 53.820 0.1 . 1 . . . . 42 GLN CA . 15084 1 559 . 1 1 42 42 GLN CB C 13 29.970 0.1 . 1 . . . . 42 GLN CB . 15084 1 560 . 1 1 42 42 GLN CG C 13 32.170 0.1 . 1 . . . . 42 GLN CG . 15084 1 561 . 1 1 42 42 GLN CD C 13 179.100 0.1 . 1 . . . . 42 GLN CD . 15084 1 562 . 1 1 42 42 GLN N N 15 126.000 0.1 . 1 . . . . 42 GLN N . 15084 1 563 . 1 1 43 43 LYS H H 1 8.780 0.03 . 1 . . . . 43 LYS HN . 15084 1 564 . 1 1 43 43 LYS HA H 1 4.355 0.03 . 1 . . . . 43 LYS HA . 15084 1 565 . 1 1 43 43 LYS HB2 H 1 1.593 0.03 . 2 . . . . 43 LYS HB1 . 15084 1 566 . 1 1 43 43 LYS HB3 H 1 1.727 0.03 . 2 . . . . 43 LYS HB2 . 15084 1 567 . 1 1 43 43 LYS HG2 H 1 1.220 0.03 . 1 . . . . 43 LYS HG1 . 15084 1 568 . 1 1 43 43 LYS HG3 H 1 1.220 0.03 . 1 . . . . 43 LYS HG2 . 15084 1 569 . 1 1 43 43 LYS HD2 H 1 1.610 0.03 . 1 . . . . 43 LYS HD1 . 15084 1 570 . 1 1 43 43 LYS HD3 H 1 1.610 0.03 . 1 . . . . 43 LYS HD2 . 15084 1 571 . 1 1 43 43 LYS HE2 H 1 2.850 0.03 . 1 . . . . 43 LYS HE1 . 15084 1 572 . 1 1 43 43 LYS HE3 H 1 2.850 0.03 . 1 . . . . 43 LYS HE2 . 15084 1 573 . 1 1 43 43 LYS C C 13 175.700 0.1 . 1 . . . . 43 LYS C . 15084 1 574 . 1 1 43 43 LYS CA C 13 55.000 0.1 . 1 . . . . 43 LYS CA . 15084 1 575 . 1 1 43 43 LYS CB C 13 32.900 0.1 . 1 . . . . 43 LYS CB . 15084 1 576 . 1 1 43 43 LYS CG C 13 24.200 0.1 . 1 . . . . 43 LYS CG . 15084 1 577 . 1 1 43 43 LYS CD C 13 28.800 0.1 . 1 . . . . 43 LYS CD . 15084 1 578 . 1 1 43 43 LYS CE C 13 41.600 0.1 . 1 . . . . 43 LYS CE . 15084 1 579 . 1 1 43 43 LYS N N 15 130.250 0.1 . 1 . . . . 43 LYS N . 15084 1 580 . 1 1 44 44 GLY H H 1 8.920 0.03 . 1 . . . . 44 GLY HN . 15084 1 581 . 1 1 44 44 GLY HA2 H 1 3.576 0.03 . 2 . . . . 44 GLY HA1 . 15084 1 582 . 1 1 44 44 GLY HA3 H 1 3.932 0.03 . 2 . . . . 44 GLY HA2 . 15084 1 583 . 1 1 44 44 GLY C C 13 173.600 0.1 . 1 . . . . 44 GLY C . 15084 1 584 . 1 1 44 44 GLY CA C 13 47.180 0.1 . 1 . . . . 44 GLY CA . 15084 1 585 . 1 1 44 44 GLY N N 15 117.400 0.1 . 1 . . . . 44 GLY N . 15084 1 586 . 1 1 45 45 ASP H H 1 8.816 0.03 . 1 . . . . 45 ASP HN . 15084 1 587 . 1 1 45 45 ASP HA H 1 4.820 0.03 . 1 . . . . 45 ASP HA . 15084 1 588 . 1 1 45 45 ASP HB2 H 1 2.625 0.03 . 2 . . . . 45 ASP HB1 . 15084 1 589 . 1 1 45 45 ASP HB3 H 1 3.062 0.03 . 2 . . . . 45 ASP HB2 . 15084 1 590 . 1 1 45 45 ASP C C 13 174.000 0.1 . 1 . . . . 45 ASP C . 15084 1 591 . 1 1 45 45 ASP CA C 13 54.090 0.1 . 1 . . . . 45 ASP CA . 15084 1 592 . 1 1 45 45 ASP CB C 13 40.920 0.1 . 1 . . . . 45 ASP CB . 15084 1 593 . 1 1 45 45 ASP CG C 13 179.800 0.1 . 1 . . . . 45 ASP CG . 15084 1 594 . 1 1 45 45 ASP N N 15 127.500 0.1 . 1 . . . . 45 ASP N . 15084 1 595 . 1 1 46 46 ASP H H 1 8.002 0.03 . 1 . . . . 46 ASP HN . 15084 1 596 . 1 1 46 46 ASP HA H 1 5.136 0.03 . 1 . . . . 46 ASP HA . 15084 1 597 . 1 1 46 46 ASP HB2 H 1 2.670 0.03 . 2 . . . . 46 ASP HB1 . 15084 1 598 . 1 1 46 46 ASP HB3 H 1 2.830 0.03 . 2 . . . . 46 ASP HB2 . 15084 1 599 . 1 1 46 46 ASP C C 13 174.500 0.1 . 1 . . . . 46 ASP C . 15084 1 600 . 1 1 46 46 ASP CA C 13 53.970 0.1 . 1 . . . . 46 ASP CA . 15084 1 601 . 1 1 46 46 ASP CB C 13 41.200 0.1 . 1 . . . . 46 ASP CB . 15084 1 602 . 1 1 46 46 ASP CG C 13 180.200 0.1 . 1 . . . . 46 ASP CG . 15084 1 603 . 1 1 46 46 ASP N N 15 120.300 0.1 . 1 . . . . 46 ASP N . 15084 1 604 . 1 1 47 47 PHE H H 1 9.263 0.03 . 1 . . . . 47 PHE HN . 15084 1 605 . 1 1 47 47 PHE HA H 1 4.955 0.03 . 1 . . . . 47 PHE HA . 15084 1 606 . 1 1 47 47 PHE HB2 H 1 1.210 0.03 . 2 . . . . 47 PHE HB1 . 15084 1 607 . 1 1 47 47 PHE HB3 H 1 1.650 0.03 . 2 . . . . 47 PHE HB2 . 15084 1 608 . 1 1 47 47 PHE HD1 H 1 6.660 0.03 . 1 . . . . 47 PHE HD1 . 15084 1 609 . 1 1 47 47 PHE HD2 H 1 6.660 0.03 . 1 . . . . 47 PHE HD2 . 15084 1 610 . 1 1 47 47 PHE HE1 H 1 6.930 0.03 . 3 . . . . 47 PHE HE1 . 15084 1 611 . 1 1 47 47 PHE HE2 H 1 6.840 0.03 . 3 . . . . 47 PHE HE2 . 15084 1 612 . 1 1 47 47 PHE HZ H 1 7.020 0.03 . 1 . . . . 47 PHE HZ . 15084 1 613 . 1 1 47 47 PHE C C 13 176.100 0.1 . 1 . . . . 47 PHE C . 15084 1 614 . 1 1 47 47 PHE CA C 13 56.210 0.1 . 1 . . . . 47 PHE CA . 15084 1 615 . 1 1 47 47 PHE CB C 13 43.200 0.1 . 1 . . . . 47 PHE CB . 15084 1 616 . 1 1 47 47 PHE CD1 C 13 128.600 0.1 . 1 . . . . 47 PHE CD1 . 15084 1 617 . 1 1 47 47 PHE CD2 C 13 128.600 0.1 . 1 . . . . 47 PHE CD2 . 15084 1 618 . 1 1 47 47 PHE CE1 C 13 126.700 0.1 . 1 . . . . 47 PHE CE1 . 15084 1 619 . 1 1 47 47 PHE CE2 C 13 126.700 0.1 . 1 . . . . 47 PHE CE2 . 15084 1 620 . 1 1 47 47 PHE N N 15 122.400 0.1 . 1 . . . . 47 PHE N . 15084 1 621 . 1 1 48 48 VAL H H 1 8.499 0.03 . 1 . . . . 48 VAL HN . 15084 1 622 . 1 1 48 48 VAL HA H 1 4.474 0.03 . 1 . . . . 48 VAL HA . 15084 1 623 . 1 1 48 48 VAL HB H 1 1.812 0.03 . 1 . . . . 48 VAL HB . 15084 1 624 . 1 1 48 48 VAL HG11 H 1 0.827 0.03 . 2 . . . . 48 VAL HG11 . 15084 1 625 . 1 1 48 48 VAL HG12 H 1 0.827 0.03 . 2 . . . . 48 VAL HG11 . 15084 1 626 . 1 1 48 48 VAL HG13 H 1 0.827 0.03 . 2 . . . . 48 VAL HG11 . 15084 1 627 . 1 1 48 48 VAL HG21 H 1 0.797 0.03 . 2 . . . . 48 VAL HG21 . 15084 1 628 . 1 1 48 48 VAL HG22 H 1 0.797 0.03 . 2 . . . . 48 VAL HG21 . 15084 1 629 . 1 1 48 48 VAL HG23 H 1 0.797 0.03 . 2 . . . . 48 VAL HG21 . 15084 1 630 . 1 1 48 48 VAL C C 13 175.300 0.1 . 1 . . . . 48 VAL C . 15084 1 631 . 1 1 48 48 VAL CA C 13 62.350 0.1 . 1 . . . . 48 VAL CA . 15084 1 632 . 1 1 48 48 VAL CB C 13 34.320 0.1 . 1 . . . . 48 VAL CB . 15084 1 633 . 1 1 48 48 VAL CG1 C 13 20.640 0.1 . 1 . . . . 48 VAL CG1 . 15084 1 634 . 1 1 48 48 VAL CG2 C 13 21.129 0.1 . 1 . . . . 48 VAL CG2 . 15084 1 635 . 1 1 48 48 VAL N N 15 121.700 0.1 . 1 . . . . 48 VAL N . 15084 1 636 . 1 1 49 49 VAL H H 1 9.338 0.03 . 1 . . . . 49 VAL HN . 15084 1 637 . 1 1 49 49 VAL HA H 1 5.151 0.03 . 1 . . . . 49 VAL HA . 15084 1 638 . 1 1 49 49 VAL HB H 1 2.050 0.03 . 1 . . . . 49 VAL HB . 15084 1 639 . 1 1 49 49 VAL HG11 H 1 0.970 0.03 . 2 . . . . 49 VAL HG11 . 15084 1 640 . 1 1 49 49 VAL HG12 H 1 0.970 0.03 . 2 . . . . 49 VAL HG11 . 15084 1 641 . 1 1 49 49 VAL HG13 H 1 0.970 0.03 . 2 . . . . 49 VAL HG11 . 15084 1 642 . 1 1 49 49 VAL HG21 H 1 1.000 0.03 . 2 . . . . 49 VAL HG21 . 15084 1 643 . 1 1 49 49 VAL HG22 H 1 1.000 0.03 . 2 . . . . 49 VAL HG21 . 15084 1 644 . 1 1 49 49 VAL HG23 H 1 1.000 0.03 . 2 . . . . 49 VAL HG21 . 15084 1 645 . 1 1 49 49 VAL C C 13 175.500 0.1 . 1 . . . . 49 VAL C . 15084 1 646 . 1 1 49 49 VAL CA C 13 60.870 0.1 . 1 . . . . 49 VAL CA . 15084 1 647 . 1 1 49 49 VAL CB C 13 34.190 0.1 . 1 . . . . 49 VAL CB . 15084 1 648 . 1 1 49 49 VAL CG1 C 13 21.400 0.1 . 1 . . . . 49 VAL CG1 . 15084 1 649 . 1 1 49 49 VAL CG2 C 13 20.650 0.1 . 1 . . . . 49 VAL CG2 . 15084 1 650 . 1 1 49 49 VAL N N 15 126.800 0.1 . 1 . . . . 49 VAL N . 15084 1 651 . 1 1 50 50 THR H H 1 9.775 0.03 . 1 . . . . 50 THR HN . 15084 1 652 . 1 1 50 50 THR HA H 1 5.308 0.03 . 1 . . . . 50 THR HA . 15084 1 653 . 1 1 50 50 THR HB H 1 4.058 0.03 . 1 . . . . 50 THR HB . 15084 1 654 . 1 1 50 50 THR HG21 H 1 1.090 0.03 . 1 . . . . 50 THR HG21 . 15084 1 655 . 1 1 50 50 THR HG22 H 1 1.090 0.03 . 1 . . . . 50 THR HG21 . 15084 1 656 . 1 1 50 50 THR HG23 H 1 1.090 0.03 . 1 . . . . 50 THR HG21 . 15084 1 657 . 1 1 50 50 THR C C 13 172.800 0.1 . 1 . . . . 50 THR C . 15084 1 658 . 1 1 50 50 THR CA C 13 61.360 0.1 . 1 . . . . 50 THR CA . 15084 1 659 . 1 1 50 50 THR CB C 13 70.370 0.1 . 1 . . . . 50 THR CB . 15084 1 660 . 1 1 50 50 THR CG2 C 13 21.807 0.1 . 1 . . . . 50 THR CG2 . 15084 1 661 . 1 1 50 50 THR N N 15 128.800 0.1 . 1 . . . . 50 THR N . 15084 1 662 . 1 1 51 51 SER H H 1 9.169 0.03 . 1 . . . . 51 SER HN . 15084 1 663 . 1 1 51 51 SER HA H 1 5.300 0.03 . 1 . . . . 51 SER HA . 15084 1 664 . 1 1 51 51 SER HB2 H 1 3.643 0.03 . 2 . . . . 51 SER HB1 . 15084 1 665 . 1 1 51 51 SER HB3 H 1 3.825 0.03 . 2 . . . . 51 SER HB2 . 15084 1 666 . 1 1 51 51 SER C C 13 172.800 0.1 . 1 . . . . 51 SER C . 15084 1 667 . 1 1 51 51 SER CA C 13 56.250 0.1 . 1 . . . . 51 SER CA . 15084 1 668 . 1 1 51 51 SER CB C 13 64.040 0.1 . 1 . . . . 51 SER CB . 15084 1 669 . 1 1 51 51 SER N N 15 122.100 0.1 . 1 . . . . 51 SER N . 15084 1 670 . 1 1 52 52 LYS H H 1 9.334 0.03 . 1 . . . . 52 LYS HN . 15084 1 671 . 1 1 52 52 LYS HA H 1 5.340 0.03 . 1 . . . . 52 LYS HA . 15084 1 672 . 1 1 52 52 LYS HB2 H 1 1.716 0.03 . 2 . . . . 52 LYS HB1 . 15084 1 673 . 1 1 52 52 LYS HB3 H 1 1.828 0.03 . 2 . . . . 52 LYS HB2 . 15084 1 674 . 1 1 52 52 LYS HG2 H 1 1.367 0.03 . 1 . . . . 52 LYS HG1 . 15084 1 675 . 1 1 52 52 LYS HG3 H 1 1.367 0.03 . 1 . . . . 52 LYS HG2 . 15084 1 676 . 1 1 52 52 LYS HE2 H 1 2.870 0.03 . 1 . . . . 52 LYS HE1 . 15084 1 677 . 1 1 52 52 LYS HE3 H 1 2.870 0.03 . 1 . . . . 52 LYS HE2 . 15084 1 678 . 1 1 52 52 LYS C C 13 175.500 0.1 . 1 . . . . 52 LYS C . 15084 1 679 . 1 1 52 52 LYS CA C 13 55.588 0.1 . 1 . . . . 52 LYS CA . 15084 1 680 . 1 1 52 52 LYS CB C 13 35.900 0.1 . 1 . . . . 52 LYS CB . 15084 1 681 . 1 1 52 52 LYS CG C 13 24.400 0.1 . 1 . . . . 52 LYS CG . 15084 1 682 . 1 1 52 52 LYS CD C 13 29.400 0.1 . 1 . . . . 52 LYS CD . 15084 1 683 . 1 1 52 52 LYS CE C 13 41.900 0.1 . 1 . . . . 52 LYS CE . 15084 1 684 . 1 1 52 52 LYS N N 15 126.300 0.1 . 1 . . . . 52 LYS N . 15084 1 685 . 1 1 53 53 THR H H 1 9.108 0.03 . 1 . . . . 53 THR HN . 15084 1 686 . 1 1 53 53 THR HA H 1 4.894 0.03 . 1 . . . . 53 THR HA . 15084 1 687 . 1 1 53 53 THR HB H 1 4.740 0.03 . 1 . . . . 53 THR HB . 15084 1 688 . 1 1 53 53 THR HG21 H 1 1.060 0.03 . 1 . . . . 53 THR HG21 . 15084 1 689 . 1 1 53 53 THR HG22 H 1 1.060 0.03 . 1 . . . . 53 THR HG21 . 15084 1 690 . 1 1 53 53 THR HG23 H 1 1.060 0.03 . 1 . . . . 53 THR HG21 . 15084 1 691 . 1 1 53 53 THR C C 13 172.800 0.1 . 1 . . . . 53 THR C . 15084 1 692 . 1 1 53 53 THR CA C 13 58.608 0.1 . 1 . . . . 53 THR CA . 15084 1 693 . 1 1 53 53 THR CB C 13 68.060 0.1 . 1 . . . . 53 THR CB . 15084 1 694 . 1 1 53 53 THR CG2 C 13 22.850 0.1 . 1 . . . . 53 THR CG2 . 15084 1 695 . 1 1 53 53 THR N N 15 117.100 0.1 . 1 . . . . 53 THR N . 15084 1 696 . 1 1 54 54 PRO HA H 1 4.278 0.03 . 1 . . . . 54 PRO HA . 15084 1 697 . 1 1 54 54 PRO HB2 H 1 2.394 0.03 . 2 . . . . 54 PRO HB1 . 15084 1 698 . 1 1 54 54 PRO HB3 H 1 1.797 0.03 . 2 . . . . 54 PRO HB2 . 15084 1 699 . 1 1 54 54 PRO HG2 H 1 1.980 0.03 . 2 . . . . 54 PRO HG1 . 15084 1 700 . 1 1 54 54 PRO HG3 H 1 2.150 0.03 . 2 . . . . 54 PRO HG2 . 15084 1 701 . 1 1 54 54 PRO HD2 H 1 3.900 0.03 . 2 . . . . 54 PRO HD1 . 15084 1 702 . 1 1 54 54 PRO HD3 H 1 3.880 0.03 . 2 . . . . 54 PRO HD2 . 15084 1 703 . 1 1 54 54 PRO C C 13 177.300 0.1 . 1 . . . . 54 PRO C . 15084 1 704 . 1 1 54 54 PRO CA C 13 65.340 0.1 . 1 . . . . 54 PRO CA . 15084 1 705 . 1 1 54 54 PRO CB C 13 31.570 0.1 . 1 . . . . 54 PRO CB . 15084 1 706 . 1 1 54 54 PRO CG C 13 28.100 0.1 . 1 . . . . 54 PRO CG . 15084 1 707 . 1 1 54 54 PRO CD C 13 50.400 0.1 . 1 . . . . 54 PRO CD . 15084 1 708 . 1 1 55 55 ARG H H 1 8.297 0.03 . 1 . . . . 55 ARG HN . 15084 1 709 . 1 1 55 55 ARG HA H 1 4.308 0.03 . 1 . . . . 55 ARG HA . 15084 1 710 . 1 1 55 55 ARG HB2 H 1 1.798 0.03 . 1 . . . . 55 ARG HB1 . 15084 1 711 . 1 1 55 55 ARG HB3 H 1 1.798 0.03 . 1 . . . . 55 ARG HB2 . 15084 1 712 . 1 1 55 55 ARG HG2 H 1 1.533 0.03 . 2 . . . . 55 ARG HG1 . 15084 1 713 . 1 1 55 55 ARG HG3 H 1 1.623 0.03 . 2 . . . . 55 ARG HG2 . 15084 1 714 . 1 1 55 55 ARG HD2 H 1 3.108 0.03 . 1 . . . . 55 ARG HD1 . 15084 1 715 . 1 1 55 55 ARG HD3 H 1 3.108 0.03 . 1 . . . . 55 ARG HD2 . 15084 1 716 . 1 1 55 55 ARG C C 13 176.200 0.1 . 1 . . . . 55 ARG C . 15084 1 717 . 1 1 55 55 ARG CA C 13 56.700 0.1 . 1 . . . . 55 ARG CA . 15084 1 718 . 1 1 55 55 ARG CB C 13 31.960 0.1 . 1 . . . . 55 ARG CB . 15084 1 719 . 1 1 55 55 ARG CG C 13 28.030 0.1 . 1 . . . . 55 ARG CG . 15084 1 720 . 1 1 55 55 ARG CD C 13 43.150 0.1 . 1 . . . . 55 ARG CD . 15084 1 721 . 1 1 55 55 ARG N N 15 113.000 0.1 . 1 . . . . 55 ARG N . 15084 1 722 . 1 1 56 56 GLN H H 1 7.751 0.03 . 1 . . . . 56 GLN HN . 15084 1 723 . 1 1 56 56 GLN HA H 1 4.820 0.03 . 1 . . . . 56 GLN HA . 15084 1 724 . 1 1 56 56 GLN HB2 H 1 1.921 0.03 . 2 . . . . 56 GLN HB1 . 15084 1 725 . 1 1 56 56 GLN HB3 H 1 1.920 0.03 . 2 . . . . 56 GLN HB2 . 15084 1 726 . 1 1 56 56 GLN HG2 H 1 2.007 0.03 . 2 . . . . 56 GLN HG1 . 15084 1 727 . 1 1 56 56 GLN HG3 H 1 2.161 0.03 . 2 . . . . 56 GLN HG2 . 15084 1 728 . 1 1 56 56 GLN C C 13 173.000 0.1 . 1 . . . . 56 GLN C . 15084 1 729 . 1 1 56 56 GLN CA C 13 55.220 0.1 . 1 . . . . 56 GLN CA . 15084 1 730 . 1 1 56 56 GLN CB C 13 32.610 0.1 . 1 . . . . 56 GLN CB . 15084 1 731 . 1 1 56 56 GLN CG C 13 33.010 0.1 . 1 . . . . 56 GLN CG . 15084 1 732 . 1 1 56 56 GLN CD C 13 179.600 0.1 . 1 . . . . 56 GLN CD . 15084 1 733 . 1 1 56 56 GLN N N 15 116.200 0.1 . 1 . . . . 56 GLN N . 15084 1 734 . 1 1 57 57 THR H H 1 8.454 0.03 . 1 . . . . 57 THR HN . 15084 1 735 . 1 1 57 57 THR HA H 1 5.161 0.03 . 1 . . . . 57 THR HA . 15084 1 736 . 1 1 57 57 THR HB H 1 3.916 0.03 . 1 . . . . 57 THR HB . 15084 1 737 . 1 1 57 57 THR HG21 H 1 1.052 0.03 . 1 . . . . 57 THR HG21 . 15084 1 738 . 1 1 57 57 THR HG22 H 1 1.052 0.03 . 1 . . . . 57 THR HG21 . 15084 1 739 . 1 1 57 57 THR HG23 H 1 1.052 0.03 . 1 . . . . 57 THR HG21 . 15084 1 740 . 1 1 57 57 THR C C 13 173.500 0.1 . 1 . . . . 57 THR C . 15084 1 741 . 1 1 57 57 THR CA C 13 61.408 0.1 . 1 . . . . 57 THR CA . 15084 1 742 . 1 1 57 57 THR CB C 13 70.994 0.1 . 1 . . . . 57 THR CB . 15084 1 743 . 1 1 57 57 THR CG2 C 13 21.630 0.1 . 1 . . . . 57 THR CG2 . 15084 1 744 . 1 1 57 57 THR N N 15 117.600 0.1 . 1 . . . . 57 THR N . 15084 1 745 . 1 1 58 58 VAL H H 1 8.928 0.03 . 1 . . . . 58 VAL HN . 15084 1 746 . 1 1 58 58 VAL HA H 1 4.452 0.03 . 1 . . . . 58 VAL HA . 15084 1 747 . 1 1 58 58 VAL HB H 1 1.902 0.03 . 1 . . . . 58 VAL HB . 15084 1 748 . 1 1 58 58 VAL HG11 H 1 0.733 0.03 . 2 . . . . 58 VAL HG11 . 15084 1 749 . 1 1 58 58 VAL HG12 H 1 0.733 0.03 . 2 . . . . 58 VAL HG11 . 15084 1 750 . 1 1 58 58 VAL HG13 H 1 0.733 0.03 . 2 . . . . 58 VAL HG11 . 15084 1 751 . 1 1 58 58 VAL HG21 H 1 0.830 0.03 . 2 . . . . 58 VAL HG21 . 15084 1 752 . 1 1 58 58 VAL HG22 H 1 0.830 0.03 . 2 . . . . 58 VAL HG21 . 15084 1 753 . 1 1 58 58 VAL HG23 H 1 0.830 0.03 . 2 . . . . 58 VAL HG21 . 15084 1 754 . 1 1 58 58 VAL C C 13 174.200 0.1 . 1 . . . . 58 VAL C . 15084 1 755 . 1 1 58 58 VAL CA C 13 61.180 0.1 . 1 . . . . 58 VAL CA . 15084 1 756 . 1 1 58 58 VAL CB C 13 35.018 0.1 . 1 . . . . 58 VAL CB . 15084 1 757 . 1 1 58 58 VAL CG1 C 13 20.810 0.1 . 1 . . . . 58 VAL CG1 . 15084 1 758 . 1 1 58 58 VAL CG2 C 13 22.300 0.1 . 1 . . . . 58 VAL CG2 . 15084 1 759 . 1 1 58 58 VAL N N 15 126.300 0.1 . 1 . . . . 58 VAL N . 15084 1 760 . 1 1 59 59 THR H H 1 8.957 0.03 . 1 . . . . 59 THR HN . 15084 1 761 . 1 1 59 59 THR HA H 1 5.167 0.03 . 1 . . . . 59 THR HA . 15084 1 762 . 1 1 59 59 THR HB H 1 3.781 0.03 . 1 . . . . 59 THR HB . 15084 1 763 . 1 1 59 59 THR HG21 H 1 1.060 0.03 . 1 . . . . 59 THR HG21 . 15084 1 764 . 1 1 59 59 THR HG22 H 1 1.060 0.03 . 1 . . . . 59 THR HG21 . 15084 1 765 . 1 1 59 59 THR HG23 H 1 1.060 0.03 . 1 . . . . 59 THR HG21 . 15084 1 766 . 1 1 59 59 THR C C 13 172.400 0.1 . 1 . . . . 59 THR C . 15084 1 767 . 1 1 59 59 THR CA C 13 61.800 0.1 . 1 . . . . 59 THR CA . 15084 1 768 . 1 1 59 59 THR CB C 13 70.339 0.1 . 1 . . . . 59 THR CB . 15084 1 769 . 1 1 59 59 THR CG2 C 13 21.600 0.1 . 1 . . . . 59 THR CG2 . 15084 1 770 . 1 1 59 59 THR N N 15 126.600 0.1 . 1 . . . . 59 THR N . 15084 1 771 . 1 1 60 60 ASN H H 1 9.103 0.03 . 1 . . . . 60 ASN HN . 15084 1 772 . 1 1 60 60 ASN HA H 1 5.255 0.03 . 1 . . . . 60 ASN HA . 15084 1 773 . 1 1 60 60 ASN HB2 H 1 2.567 0.03 . 2 . . . . 60 ASN HB1 . 15084 1 774 . 1 1 60 60 ASN HB3 H 1 2.405 0.03 . 2 . . . . 60 ASN HB2 . 15084 1 775 . 1 1 60 60 ASN C C 13 172.500 0.1 . 1 . . . . 60 ASN C . 15084 1 776 . 1 1 60 60 ASN CA C 13 52.490 0.1 . 1 . . . . 60 ASN CA . 15084 1 777 . 1 1 60 60 ASN CB C 13 44.110 0.1 . 1 . . . . 60 ASN CB . 15084 1 778 . 1 1 60 60 ASN CG C 13 176.500 0.1 . 1 . . . . 60 ASN CG . 15084 1 779 . 1 1 60 60 ASN N N 15 124.500 0.1 . 1 . . . . 60 ASN N . 15084 1 780 . 1 1 61 61 SER H H 1 8.805 0.03 . 1 . . . . 61 SER HN . 15084 1 781 . 1 1 61 61 SER HA H 1 5.399 0.03 . 1 . . . . 61 SER HA . 15084 1 782 . 1 1 61 61 SER HB2 H 1 3.846 0.03 . 1 . . . . 61 SER HB1 . 15084 1 783 . 1 1 61 61 SER HB3 H 1 3.846 0.03 . 1 . . . . 61 SER HB2 . 15084 1 784 . 1 1 61 61 SER C C 13 172.200 0.1 . 1 . . . . 61 SER C . 15084 1 785 . 1 1 61 61 SER CA C 13 56.470 0.1 . 1 . . . . 61 SER CA . 15084 1 786 . 1 1 61 61 SER CB C 13 65.450 0.1 . 1 . . . . 61 SER CB . 15084 1 787 . 1 1 61 61 SER N N 15 115.600 0.1 . 1 . . . . 61 SER N . 15084 1 788 . 1 1 62 62 PHE H H 1 8.211 0.03 . 1 . . . . 62 PHE HN . 15084 1 789 . 1 1 62 62 PHE HA H 1 4.949 0.03 . 1 . . . . 62 PHE HA . 15084 1 790 . 1 1 62 62 PHE HB2 H 1 3.227 0.03 . 2 . . . . 62 PHE HB1 . 15084 1 791 . 1 1 62 62 PHE HB3 H 1 2.920 0.03 . 2 . . . . 62 PHE HB2 . 15084 1 792 . 1 1 62 62 PHE HD1 H 1 6.370 0.03 . 1 . . . . 62 PHE HD1 . 15084 1 793 . 1 1 62 62 PHE HD2 H 1 6.370 0.03 . 1 . . . . 62 PHE HD2 . 15084 1 794 . 1 1 62 62 PHE HE1 H 1 6.440 0.03 . 1 . . . . 62 PHE HE1 . 15084 1 795 . 1 1 62 62 PHE HE2 H 1 6.440 0.03 . 1 . . . . 62 PHE HE2 . 15084 1 796 . 1 1 62 62 PHE HZ H 1 6.090 0.03 . 1 . . . . 62 PHE HZ . 15084 1 797 . 1 1 62 62 PHE C C 13 172.100 0.1 . 1 . . . . 62 PHE C . 15084 1 798 . 1 1 62 62 PHE CA C 13 56.250 0.1 . 1 . . . . 62 PHE CA . 15084 1 799 . 1 1 62 62 PHE CB C 13 39.830 0.1 . 1 . . . . 62 PHE CB . 15084 1 800 . 1 1 62 62 PHE CD1 C 13 129.600 0.1 . 1 . . . . 62 PHE CD1 . 15084 1 801 . 1 1 62 62 PHE CD2 C 13 129.600 0.1 . 1 . . . . 62 PHE CD2 . 15084 1 802 . 1 1 62 62 PHE CE1 C 13 129.300 0.1 . 1 . . . . 62 PHE CE1 . 15084 1 803 . 1 1 62 62 PHE CE2 C 13 129.300 0.1 . 1 . . . . 62 PHE CE2 . 15084 1 804 . 1 1 62 62 PHE CZ C 13 125.600 0.1 . 1 . . . . 62 PHE CZ . 15084 1 805 . 1 1 62 62 PHE N N 15 116.900 0.1 . 1 . . . . 62 PHE N . 15084 1 806 . 1 1 63 63 THR H H 1 9.738 0.03 . 1 . . . . 63 THR HN . 15084 1 807 . 1 1 63 63 THR HA H 1 5.440 0.03 . 1 . . . . 63 THR HA . 15084 1 808 . 1 1 63 63 THR HB H 1 3.760 0.03 . 1 . . . . 63 THR HB . 15084 1 809 . 1 1 63 63 THR HG21 H 1 1.408 0.03 . 1 . . . . 63 THR HG21 . 15084 1 810 . 1 1 63 63 THR HG22 H 1 1.408 0.03 . 1 . . . . 63 THR HG21 . 15084 1 811 . 1 1 63 63 THR HG23 H 1 1.408 0.03 . 1 . . . . 63 THR HG21 . 15084 1 812 . 1 1 63 63 THR C C 13 175.400 0.1 . 1 . . . . 63 THR C . 15084 1 813 . 1 1 63 63 THR CA C 13 60.750 0.1 . 1 . . . . 63 THR CA . 15084 1 814 . 1 1 63 63 THR CB C 13 71.574 0.1 . 1 . . . . 63 THR CB . 15084 1 815 . 1 1 63 63 THR CG2 C 13 21.393 0.1 . 1 . . . . 63 THR CG2 . 15084 1 816 . 1 1 63 63 THR N N 15 120.000 0.1 . 1 . . . . 63 THR N . 15084 1 817 . 1 1 64 64 LEU H H 1 9.156 0.03 . 1 . . . . 64 LEU HN . 15084 1 818 . 1 1 64 64 LEU HA H 1 4.308 0.03 . 1 . . . . 64 LEU HA . 15084 1 819 . 1 1 64 64 LEU HB2 H 1 1.868 0.03 . 2 . . . . 64 LEU HB1 . 15084 1 820 . 1 1 64 64 LEU HB3 H 1 1.569 0.03 . 2 . . . . 64 LEU HB2 . 15084 1 821 . 1 1 64 64 LEU HG H 1 1.192 0.03 . 1 . . . . 64 LEU HG . 15084 1 822 . 1 1 64 64 LEU HD11 H 1 1.170 0.03 . 2 . . . . 64 LEU HD11 . 15084 1 823 . 1 1 64 64 LEU HD12 H 1 1.170 0.03 . 2 . . . . 64 LEU HD11 . 15084 1 824 . 1 1 64 64 LEU HD13 H 1 1.170 0.03 . 2 . . . . 64 LEU HD11 . 15084 1 825 . 1 1 64 64 LEU HD21 H 1 0.596 0.03 . 2 . . . . 64 LEU HD21 . 15084 1 826 . 1 1 64 64 LEU HD22 H 1 0.596 0.03 . 2 . . . . 64 LEU HD21 . 15084 1 827 . 1 1 64 64 LEU HD23 H 1 0.596 0.03 . 2 . . . . 64 LEU HD21 . 15084 1 828 . 1 1 64 64 LEU C C 13 178.000 0.1 . 1 . . . . 64 LEU C . 15084 1 829 . 1 1 64 64 LEU CA C 13 56.020 0.1 . 1 . . . . 64 LEU CA . 15084 1 830 . 1 1 64 64 LEU CB C 13 41.275 0.1 . 1 . . . . 64 LEU CB . 15084 1 831 . 1 1 64 64 LEU CG C 13 26.600 0.1 . 1 . . . . 64 LEU CG . 15084 1 832 . 1 1 64 64 LEU CD1 C 13 26.700 0.1 . 1 . . . . 64 LEU CD1 . 15084 1 833 . 1 1 64 64 LEU CD2 C 13 22.570 0.1 . 1 . . . . 64 LEU CD2 . 15084 1 834 . 1 1 64 64 LEU N N 15 126.900 0.1 . 1 . . . . 64 LEU N . 15084 1 835 . 1 1 65 65 GLY H H 1 9.072 0.03 . 1 . . . . 65 GLY HN . 15084 1 836 . 1 1 65 65 GLY HA2 H 1 3.105 0.03 . 2 . . . . 65 GLY HA1 . 15084 1 837 . 1 1 65 65 GLY HA3 H 1 4.193 0.03 . 2 . . . . 65 GLY HA2 . 15084 1 838 . 1 1 65 65 GLY C C 13 172.900 0.1 . 1 . . . . 65 GLY C . 15084 1 839 . 1 1 65 65 GLY CA C 13 45.420 0.1 . 1 . . . . 65 GLY CA . 15084 1 840 . 1 1 65 65 GLY N N 15 107.500 0.1 . 1 . . . . 65 GLY N . 15084 1 841 . 1 1 66 66 LYS H H 1 7.885 0.03 . 1 . . . . 66 LYS HN . 15084 1 842 . 1 1 66 66 LYS HA H 1 4.710 0.03 . 1 . . . . 66 LYS HA . 15084 1 843 . 1 1 66 66 LYS HB2 H 1 1.770 0.03 . 2 . . . . 66 LYS HB1 . 15084 1 844 . 1 1 66 66 LYS HB3 H 1 1.880 0.03 . 2 . . . . 66 LYS HB2 . 15084 1 845 . 1 1 66 66 LYS HG2 H 1 1.360 0.03 . 1 . . . . 66 LYS HG1 . 15084 1 846 . 1 1 66 66 LYS HG3 H 1 1.360 0.03 . 1 . . . . 66 LYS HG2 . 15084 1 847 . 1 1 66 66 LYS HD2 H 1 1.670 0.03 . 1 . . . . 66 LYS HD1 . 15084 1 848 . 1 1 66 66 LYS HD3 H 1 1.670 0.03 . 1 . . . . 66 LYS HD2 . 15084 1 849 . 1 1 66 66 LYS HE2 H 1 3.000 0.03 . 2 . . . . 66 LYS HE2 . 15084 1 850 . 1 1 66 66 LYS C C 13 175.200 0.1 . 1 . . . . 66 LYS C . 15084 1 851 . 1 1 66 66 LYS CA C 13 54.050 0.1 . 1 . . . . 66 LYS CA . 15084 1 852 . 1 1 66 66 LYS CB C 13 34.600 0.1 . 1 . . . . 66 LYS CB . 15084 1 853 . 1 1 66 66 LYS CG C 13 25.000 0.1 . 1 . . . . 66 LYS CG . 15084 1 854 . 1 1 66 66 LYS CD C 13 28.900 0.1 . 1 . . . . 66 LYS CD . 15084 1 855 . 1 1 66 66 LYS CE C 13 41.600 0.1 . 1 . . . . 66 LYS CE . 15084 1 856 . 1 1 66 66 LYS N N 15 121.100 0.1 . 1 . . . . 66 LYS N . 15084 1 857 . 1 1 67 67 GLU H H 1 8.807 0.03 . 1 . . . . 67 GLU HN . 15084 1 858 . 1 1 67 67 GLU HA H 1 4.181 0.03 . 1 . . . . 67 GLU HA . 15084 1 859 . 1 1 67 67 GLU HB2 H 1 1.800 0.03 . 2 . . . . 67 GLU HB1 . 15084 1 860 . 1 1 67 67 GLU HB3 H 1 1.870 0.03 . 2 . . . . 67 GLU HB2 . 15084 1 861 . 1 1 67 67 GLU HG2 H 1 1.897 0.03 . 2 . . . . 67 GLU HG1 . 15084 1 862 . 1 1 67 67 GLU HG3 H 1 1.988 0.03 . 2 . . . . 67 GLU HG2 . 15084 1 863 . 1 1 67 67 GLU C C 13 174.500 0.1 . 1 . . . . 67 GLU C . 15084 1 864 . 1 1 67 67 GLU CA C 13 58.470 0.1 . 1 . . . . 67 GLU CA . 15084 1 865 . 1 1 67 67 GLU CB C 13 30.300 0.1 . 1 . . . . 67 GLU CB . 15084 1 866 . 1 1 67 67 GLU CG C 13 37.601 0.1 . 1 . . . . 67 GLU CG . 15084 1 867 . 1 1 67 67 GLU CD C 13 183.510 0.1 . 1 . . . . 67 GLU CD . 15084 1 868 . 1 1 67 67 GLU N N 15 129.700 0.1 . 1 . . . . 67 GLU N . 15084 1 869 . 1 1 68 68 ALA H H 1 9.282 0.03 . 1 . . . . 68 ALA HN . 15084 1 870 . 1 1 68 68 ALA HA H 1 4.826 0.03 . 1 . . . . 68 ALA HA . 15084 1 871 . 1 1 68 68 ALA HB1 H 1 1.598 0.03 . 1 . . . . 68 ALA HB1 . 15084 1 872 . 1 1 68 68 ALA HB2 H 1 1.598 0.03 . 1 . . . . 68 ALA HB1 . 15084 1 873 . 1 1 68 68 ALA HB3 H 1 1.598 0.03 . 1 . . . . 68 ALA HB1 . 15084 1 874 . 1 1 68 68 ALA C C 13 175.600 0.1 . 1 . . . . 68 ALA C . 15084 1 875 . 1 1 68 68 ALA CA C 13 50.490 0.1 . 1 . . . . 68 ALA CA . 15084 1 876 . 1 1 68 68 ALA CB C 13 22.420 0.1 . 1 . . . . 68 ALA CB . 15084 1 877 . 1 1 68 68 ALA N N 15 130.900 0.1 . 1 . . . . 68 ALA N . 15084 1 878 . 1 1 69 69 ASP H H 1 8.283 0.03 . 1 . . . . 69 ASP HN . 15084 1 879 . 1 1 69 69 ASP HA H 1 5.025 0.03 . 1 . . . . 69 ASP HA . 15084 1 880 . 1 1 69 69 ASP HB2 H 1 2.580 0.03 . 1 . . . . 69 ASP HB1 . 15084 1 881 . 1 1 69 69 ASP HB3 H 1 2.580 0.03 . 1 . . . . 69 ASP HB2 . 15084 1 882 . 1 1 69 69 ASP C C 13 174.600 0.1 . 1 . . . . 69 ASP C . 15084 1 883 . 1 1 69 69 ASP CA C 13 54.020 0.1 . 1 . . . . 69 ASP CA . 15084 1 884 . 1 1 69 69 ASP CB C 13 41.480 0.1 . 1 . . . . 69 ASP CB . 15084 1 885 . 1 1 69 69 ASP CG C 13 180.600 0.1 . 1 . . . . 69 ASP CG . 15084 1 886 . 1 1 69 69 ASP N N 15 119.900 0.1 . 1 . . . . 69 ASP N . 15084 1 887 . 1 1 70 70 ILE H H 1 9.078 0.03 . 1 . . . . 70 ILE HN . 15084 1 888 . 1 1 70 70 ILE HA H 1 4.551 0.03 . 1 . . . . 70 ILE HA . 15084 1 889 . 1 1 70 70 ILE HB H 1 1.855 0.03 . 1 . . . . 70 ILE HB . 15084 1 890 . 1 1 70 70 ILE HG12 H 1 0.970 0.03 . 1 . . . . 70 ILE HG11 . 15084 1 891 . 1 1 70 70 ILE HG13 H 1 1.517 0.03 . 1 . . . . 70 ILE HG12 . 15084 1 892 . 1 1 70 70 ILE HG21 H 1 0.548 0.03 . 1 . . . . 70 ILE HG21 . 15084 1 893 . 1 1 70 70 ILE HG22 H 1 0.548 0.03 . 1 . . . . 70 ILE HG21 . 15084 1 894 . 1 1 70 70 ILE HG23 H 1 0.548 0.03 . 1 . . . . 70 ILE HG21 . 15084 1 895 . 1 1 70 70 ILE HD11 H 1 0.557 0.03 . 1 . . . . 70 ILE HD11 . 15084 1 896 . 1 1 70 70 ILE HD12 H 1 0.557 0.03 . 1 . . . . 70 ILE HD11 . 15084 1 897 . 1 1 70 70 ILE HD13 H 1 0.557 0.03 . 1 . . . . 70 ILE HD11 . 15084 1 898 . 1 1 70 70 ILE C C 13 175.100 0.1 . 1 . . . . 70 ILE C . 15084 1 899 . 1 1 70 70 ILE CA C 13 56.350 0.1 . 1 . . . . 70 ILE CA . 15084 1 900 . 1 1 70 70 ILE CB C 13 38.604 0.1 . 1 . . . . 70 ILE CB . 15084 1 901 . 1 1 70 70 ILE CG1 C 13 26.940 0.1 . 1 . . . . 70 ILE CG1 . 15084 1 902 . 1 1 70 70 ILE CG2 C 13 17.930 0.1 . 1 . . . . 70 ILE CG2 . 15084 1 903 . 1 1 70 70 ILE CD1 C 13 9.400 0.1 . 1 . . . . 70 ILE CD1 . 15084 1 904 . 1 1 70 70 ILE N N 15 127.000 0.1 . 1 . . . . 70 ILE N . 15084 1 905 . 1 1 71 71 THR H H 1 9.357 0.03 . 1 . . . . 71 THR HN . 15084 1 906 . 1 1 71 71 THR HA H 1 5.220 0.03 . 1 . . . . 71 THR HA . 15084 1 907 . 1 1 71 71 THR HB H 1 3.905 0.03 . 1 . . . . 71 THR HB . 15084 1 908 . 1 1 71 71 THR HG21 H 1 1.233 0.03 . 1 . . . . 71 THR HG21 . 15084 1 909 . 1 1 71 71 THR HG22 H 1 1.233 0.03 . 1 . . . . 71 THR HG21 . 15084 1 910 . 1 1 71 71 THR HG23 H 1 1.233 0.03 . 1 . . . . 71 THR HG21 . 15084 1 911 . 1 1 71 71 THR C C 13 174.100 0.1 . 1 . . . . 71 THR C . 15084 1 912 . 1 1 71 71 THR CA C 13 61.060 0.1 . 1 . . . . 71 THR CA . 15084 1 913 . 1 1 71 71 THR CB C 13 70.185 0.1 . 1 . . . . 71 THR CB . 15084 1 914 . 1 1 71 71 THR CG2 C 13 20.877 0.1 . 1 . . . . 71 THR CG2 . 15084 1 915 . 1 1 71 71 THR N N 15 123.800 0.1 . 1 . . . . 71 THR N . 15084 1 916 . 1 1 72 72 THR H H 1 8.737 0.03 . 1 . . . . 72 THR HN . 15084 1 917 . 1 1 72 72 THR HA H 1 4.550 0.03 . 1 . . . . 72 THR HA . 15084 1 918 . 1 1 72 72 THR HB H 1 4.551 0.03 . 1 . . . . 72 THR HB . 15084 1 919 . 1 1 72 72 THR HG21 H 1 0.959 0.03 . 1 . . . . 72 THR HG21 . 15084 1 920 . 1 1 72 72 THR HG22 H 1 0.959 0.03 . 1 . . . . 72 THR HG21 . 15084 1 921 . 1 1 72 72 THR HG23 H 1 0.959 0.03 . 1 . . . . 72 THR HG21 . 15084 1 922 . 1 1 72 72 THR C C 13 177.400 0.1 . 1 . . . . 72 THR C . 15084 1 923 . 1 1 72 72 THR CA C 13 60.099 0.1 . 1 . . . . 72 THR CA . 15084 1 924 . 1 1 72 72 THR CB C 13 70.698 0.1 . 1 . . . . 72 THR CB . 15084 1 925 . 1 1 72 72 THR CG2 C 13 22.300 0.1 . 1 . . . . 72 THR CG2 . 15084 1 926 . 1 1 72 72 THR N N 15 116.000 0.1 . 1 . . . . 72 THR N . 15084 1 927 . 1 1 73 73 MET H H 1 10.350 0.03 . 1 . . . . 73 MET HN . 15084 1 928 . 1 1 73 73 MET HA H 1 4.085 0.03 . 1 . . . . 73 MET HA . 15084 1 929 . 1 1 73 73 MET HB2 H 1 2.300 0.03 . 2 . . . . 73 MET HB1 . 15084 1 930 . 1 1 73 73 MET HB3 H 1 2.099 0.03 . 2 . . . . 73 MET HB2 . 15084 1 931 . 1 1 73 73 MET HG2 H 1 2.820 0.03 . 2 . . . . 73 MET HG1 . 15084 1 932 . 1 1 73 73 MET HG3 H 1 2.330 0.03 . 2 . . . . 73 MET HG2 . 15084 1 933 . 1 1 73 73 MET HE1 H 1 2.060 0.03 . 1 . . . . 73 MET HE1 . 15084 1 934 . 1 1 73 73 MET HE2 H 1 2.060 0.03 . 1 . . . . 73 MET HE1 . 15084 1 935 . 1 1 73 73 MET HE3 H 1 2.060 0.03 . 1 . . . . 73 MET HE1 . 15084 1 936 . 1 1 73 73 MET C C 13 175.800 0.1 . 1 . . . . 73 MET C . 15084 1 937 . 1 1 73 73 MET CA C 13 58.643 0.1 . 1 . . . . 73 MET CA . 15084 1 938 . 1 1 73 73 MET CB C 13 34.200 0.1 . 1 . . . . 73 MET CB . 15084 1 939 . 1 1 73 73 MET CG C 13 34.100 0.1 . 1 . . . . 73 MET CG . 15084 1 940 . 1 1 73 73 MET CE C 13 18.600 0.1 . 1 . . . . 73 MET CE . 15084 1 941 . 1 1 73 73 MET N N 15 119.400 0.1 . 1 . . . . 73 MET N . 15084 1 942 . 1 1 74 74 ASP H H 1 8.646 0.03 . 1 . . . . 74 ASP HN . 15084 1 943 . 1 1 74 74 ASP HA H 1 4.655 0.03 . 1 . . . . 74 ASP HA . 15084 1 944 . 1 1 74 74 ASP HB2 H 1 2.769 0.03 . 2 . . . . 74 ASP HB1 . 15084 1 945 . 1 1 74 74 ASP HB3 H 1 2.195 0.03 . 2 . . . . 74 ASP HB2 . 15084 1 946 . 1 1 74 74 ASP C C 13 174.900 0.1 . 1 . . . . 74 ASP C . 15084 1 947 . 1 1 74 74 ASP CA C 13 52.510 0.1 . 1 . . . . 74 ASP CA . 15084 1 948 . 1 1 74 74 ASP CB C 13 38.410 0.1 . 1 . . . . 74 ASP CB . 15084 1 949 . 1 1 74 74 ASP CG C 13 179.430 0.1 . 1 . . . . 74 ASP CG . 15084 1 950 . 1 1 74 74 ASP N N 15 112.100 0.1 . 1 . . . . 74 ASP N . 15084 1 951 . 1 1 75 75 GLY H H 1 7.572 0.03 . 1 . . . . 75 GLY HN . 15084 1 952 . 1 1 75 75 GLY HA2 H 1 3.623 0.03 . 2 . . . . 75 GLY HA1 . 15084 1 953 . 1 1 75 75 GLY HA3 H 1 4.008 0.03 . 2 . . . . 75 GLY HA2 . 15084 1 954 . 1 1 75 75 GLY C C 13 174.400 0.1 . 1 . . . . 75 GLY C . 15084 1 955 . 1 1 75 75 GLY CA C 13 45.960 0.1 . 1 . . . . 75 GLY CA . 15084 1 956 . 1 1 75 75 GLY N N 15 107.600 0.1 . 1 . . . . 75 GLY N . 15084 1 957 . 1 1 76 76 LYS H H 1 8.080 0.03 . 1 . . . . 76 LYS HN . 15084 1 958 . 1 1 76 76 LYS HA H 1 4.378 0.03 . 1 . . . . 76 LYS HA . 15084 1 959 . 1 1 76 76 LYS HB2 H 1 1.782 0.03 . 2 . . . . 76 LYS HB1 . 15084 1 960 . 1 1 76 76 LYS HB3 H 1 1.538 0.03 . 2 . . . . 76 LYS HB2 . 15084 1 961 . 1 1 76 76 LYS HG2 H 1 1.160 0.03 . 2 . . . . 76 LYS HG1 . 15084 1 962 . 1 1 76 76 LYS HG3 H 1 1.250 0.03 . 2 . . . . 76 LYS HG2 . 15084 1 963 . 1 1 76 76 LYS HD2 H 1 1.700 0.03 . 1 . . . . 76 LYS HD1 . 15084 1 964 . 1 1 76 76 LYS HD3 H 1 1.700 0.03 . 1 . . . . 76 LYS HD2 . 15084 1 965 . 1 1 76 76 LYS HE2 H 1 2.980 0.03 . 2 . . . . 76 LYS HE1 . 15084 1 966 . 1 1 76 76 LYS C C 13 175.000 0.1 . 1 . . . . 76 LYS C . 15084 1 967 . 1 1 76 76 LYS CA C 13 55.600 0.1 . 1 . . . . 76 LYS CA . 15084 1 968 . 1 1 76 76 LYS CB C 13 33.450 0.1 . 1 . . . . 76 LYS CB . 15084 1 969 . 1 1 76 76 LYS CG C 13 25.160 0.1 . 1 . . . . 76 LYS CG . 15084 1 970 . 1 1 76 76 LYS CD C 13 29.100 0.1 . 1 . . . . 76 LYS CD . 15084 1 971 . 1 1 76 76 LYS N N 15 120.100 0.1 . 1 . . . . 76 LYS N . 15084 1 972 . 1 1 77 77 LYS H H 1 8.029 0.03 . 1 . . . . 77 LYS HN . 15084 1 973 . 1 1 77 77 LYS HA H 1 5.319 0.03 . 1 . . . . 77 LYS HA . 15084 1 974 . 1 1 77 77 LYS HB2 H 1 1.757 0.03 . 2 . . . . 77 LYS HB1 . 15084 1 975 . 1 1 77 77 LYS HB3 H 1 1.648 0.03 . 2 . . . . 77 LYS HB2 . 15084 1 976 . 1 1 77 77 LYS HG2 H 1 1.390 0.03 . 1 . . . . 77 LYS HG1 . 15084 1 977 . 1 1 77 77 LYS HG3 H 1 1.390 0.03 . 1 . . . . 77 LYS HG2 . 15084 1 978 . 1 1 77 77 LYS HD2 H 1 1.700 0.03 . 1 . . . . 77 LYS HD1 . 15084 1 979 . 1 1 77 77 LYS HD3 H 1 1.700 0.03 . 1 . . . . 77 LYS HD2 . 15084 1 980 . 1 1 77 77 LYS HE2 H 1 2.890 0.03 . 1 . . . . 77 LYS HE1 . 15084 1 981 . 1 1 77 77 LYS HE3 H 1 2.890 0.03 . 1 . . . . 77 LYS HE2 . 15084 1 982 . 1 1 77 77 LYS C C 13 175.800 0.1 . 1 . . . . 77 LYS C . 15084 1 983 . 1 1 77 77 LYS CA C 13 54.260 0.1 . 1 . . . . 77 LYS CA . 15084 1 984 . 1 1 77 77 LYS CB C 13 33.200 0.1 . 1 . . . . 77 LYS CB . 15084 1 985 . 1 1 77 77 LYS CG C 13 24.200 0.1 . 1 . . . . 77 LYS CG . 15084 1 986 . 1 1 77 77 LYS CD C 13 29.000 0.1 . 1 . . . . 77 LYS CD . 15084 1 987 . 1 1 77 77 LYS CE C 13 42.000 0.1 . 1 . . . . 77 LYS CE . 15084 1 988 . 1 1 77 77 LYS N N 15 119.600 0.1 . 1 . . . . 77 LYS N . 15084 1 989 . 1 1 78 78 LEU H H 1 9.156 0.03 . 1 . . . . 78 LEU HN . 15084 1 990 . 1 1 78 78 LEU HA H 1 4.765 0.03 . 1 . . . . 78 LEU HA . 15084 1 991 . 1 1 78 78 LEU HB2 H 1 1.538 0.03 . 2 . . . . 78 LEU HB1 . 15084 1 992 . 1 1 78 78 LEU HB3 H 1 1.463 0.03 . 2 . . . . 78 LEU HB2 . 15084 1 993 . 1 1 78 78 LEU HG H 1 1.376 0.03 . 1 . . . . 78 LEU HG . 15084 1 994 . 1 1 78 78 LEU HD11 H 1 0.628 0.03 . 2 . . . . 78 LEU HD11 . 15084 1 995 . 1 1 78 78 LEU HD12 H 1 0.628 0.03 . 2 . . . . 78 LEU HD11 . 15084 1 996 . 1 1 78 78 LEU HD13 H 1 0.628 0.03 . 2 . . . . 78 LEU HD11 . 15084 1 997 . 1 1 78 78 LEU HD21 H 1 0.760 0.03 . 2 . . . . 78 LEU HD21 . 15084 1 998 . 1 1 78 78 LEU HD22 H 1 0.760 0.03 . 2 . . . . 78 LEU HD21 . 15084 1 999 . 1 1 78 78 LEU HD23 H 1 0.760 0.03 . 2 . . . . 78 LEU HD21 . 15084 1 1000 . 1 1 78 78 LEU C C 13 175.000 0.1 . 1 . . . . 78 LEU C . 15084 1 1001 . 1 1 78 78 LEU CA C 13 53.602 0.1 . 1 . . . . 78 LEU CA . 15084 1 1002 . 1 1 78 78 LEU CB C 13 45.542 0.1 . 1 . . . . 78 LEU CB . 15084 1 1003 . 1 1 78 78 LEU CG C 13 26.800 0.1 . 1 . . . . 78 LEU CG . 15084 1 1004 . 1 1 78 78 LEU CD1 C 13 26.370 0.1 . 1 . . . . 78 LEU CD1 . 15084 1 1005 . 1 1 78 78 LEU CD2 C 13 24.400 0.1 . 1 . . . . 78 LEU CD2 . 15084 1 1006 . 1 1 78 78 LEU N N 15 124.000 0.1 . 1 . . . . 78 LEU N . 15084 1 1007 . 1 1 79 79 LYS H H 1 8.327 0.03 . 1 . . . . 79 LYS HN . 15084 1 1008 . 1 1 79 79 LYS HA H 1 5.546 0.03 . 1 . . . . 79 LYS HA . 15084 1 1009 . 1 1 79 79 LYS HB2 H 1 1.530 0.03 . 2 . . . . 79 LYS HB1 . 15084 1 1010 . 1 1 79 79 LYS HB3 H 1 1.670 0.03 . 2 . . . . 79 LYS HB2 . 15084 1 1011 . 1 1 79 79 LYS HG2 H 1 1.370 0.03 . 2 . . . . 79 LYS HG1 . 15084 1 1012 . 1 1 79 79 LYS HG3 H 1 1.410 0.03 . 2 . . . . 79 LYS HG2 . 15084 1 1013 . 1 1 79 79 LYS HD2 H 1 1.540 0.03 . 1 . . . . 79 LYS HD1 . 15084 1 1014 . 1 1 79 79 LYS HD3 H 1 1.540 0.03 . 1 . . . . 79 LYS HD2 . 15084 1 1015 . 1 1 79 79 LYS HE2 H 1 2.860 0.03 . 1 . . . . 79 LYS HE1 . 15084 1 1016 . 1 1 79 79 LYS HE3 H 1 2.860 0.03 . 1 . . . . 79 LYS HE2 . 15084 1 1017 . 1 1 79 79 LYS C C 13 176.800 0.1 . 1 . . . . 79 LYS C . 15084 1 1018 . 1 1 79 79 LYS CA C 13 54.438 0.1 . 1 . . . . 79 LYS CA . 15084 1 1019 . 1 1 79 79 LYS CB C 13 34.400 0.1 . 1 . . . . 79 LYS CB . 15084 1 1020 . 1 1 79 79 LYS CG C 13 24.600 0.1 . 1 . . . . 79 LYS CG . 15084 1 1021 . 1 1 79 79 LYS CD C 13 29.400 0.1 . 1 . . . . 79 LYS CD . 15084 1 1022 . 1 1 79 79 LYS N N 15 121.200 0.1 . 1 . . . . 79 LYS N . 15084 1 1023 . 1 1 80 80 CYS H H 1 8.642 0.03 . 1 . . . . 80 CYS HN . 15084 1 1024 . 1 1 80 80 CYS HA H 1 4.874 0.03 . 1 . . . . 80 CYS HA . 15084 1 1025 . 1 1 80 80 CYS HB2 H 1 2.835 0.03 . 2 . . . . 80 CYS HB1 . 15084 1 1026 . 1 1 80 80 CYS HB3 H 1 2.444 0.03 . 2 . . . . 80 CYS HB2 . 15084 1 1027 . 1 1 80 80 CYS C C 13 171.900 0.1 . 1 . . . . 80 CYS C . 15084 1 1028 . 1 1 80 80 CYS CA C 13 56.740 0.1 . 1 . . . . 80 CYS CA . 15084 1 1029 . 1 1 80 80 CYS CB C 13 31.514 0.1 . 1 . . . . 80 CYS CB . 15084 1 1030 . 1 1 80 80 CYS N N 15 117.900 0.1 . 1 . . . . 80 CYS N . 15084 1 1031 . 1 1 81 81 THR H H 1 8.604 0.03 . 1 . . . . 81 THR HN . 15084 1 1032 . 1 1 81 81 THR HA H 1 4.218 0.03 . 1 . . . . 81 THR HA . 15084 1 1033 . 1 1 81 81 THR HB H 1 3.826 0.03 . 1 . . . . 81 THR HB . 15084 1 1034 . 1 1 81 81 THR HG21 H 1 0.560 0.03 . 1 . . . . 81 THR HG21 . 15084 1 1035 . 1 1 81 81 THR HG22 H 1 0.560 0.03 . 1 . . . . 81 THR HG21 . 15084 1 1036 . 1 1 81 81 THR HG23 H 1 0.560 0.03 . 1 . . . . 81 THR HG21 . 15084 1 1037 . 1 1 81 81 THR C C 13 170.800 0.1 . 1 . . . . 81 THR C . 15084 1 1038 . 1 1 81 81 THR CA C 13 62.080 0.1 . 1 . . . . 81 THR CA . 15084 1 1039 . 1 1 81 81 THR CB C 13 69.138 0.1 . 1 . . . . 81 THR CB . 15084 1 1040 . 1 1 81 81 THR CG2 C 13 20.600 0.1 . 1 . . . . 81 THR CG2 . 15084 1 1041 . 1 1 81 81 THR N N 15 117.700 0.1 . 1 . . . . 81 THR N . 15084 1 1042 . 1 1 82 82 VAL H H 1 9.383 0.03 . 1 . . . . 82 VAL HN . 15084 1 1043 . 1 1 82 82 VAL HA H 1 4.156 0.03 . 1 . . . . 82 VAL HA . 15084 1 1044 . 1 1 82 82 VAL HB H 1 1.214 0.03 . 1 . . . . 82 VAL HB . 15084 1 1045 . 1 1 82 82 VAL HG11 H 1 0.336 0.03 . 2 . . . . 82 VAL HG11 . 15084 1 1046 . 1 1 82 82 VAL HG12 H 1 0.336 0.03 . 2 . . . . 82 VAL HG11 . 15084 1 1047 . 1 1 82 82 VAL HG13 H 1 0.336 0.03 . 2 . . . . 82 VAL HG11 . 15084 1 1048 . 1 1 82 82 VAL HG21 H 1 -0.187 0.03 . 2 . . . . 82 VAL HG21 . 15084 1 1049 . 1 1 82 82 VAL HG22 H 1 -0.187 0.03 . 2 . . . . 82 VAL HG21 . 15084 1 1050 . 1 1 82 82 VAL HG23 H 1 -0.187 0.03 . 2 . . . . 82 VAL HG21 . 15084 1 1051 . 1 1 82 82 VAL C C 13 175.100 0.1 . 1 . . . . 82 VAL C . 15084 1 1052 . 1 1 82 82 VAL CA C 13 60.600 0.1 . 1 . . . . 82 VAL CA . 15084 1 1053 . 1 1 82 82 VAL CB C 13 32.565 0.1 . 1 . . . . 82 VAL CB . 15084 1 1054 . 1 1 82 82 VAL CG1 C 13 21.090 0.1 . 1 . . . . 82 VAL CG1 . 15084 1 1055 . 1 1 82 82 VAL CG2 C 13 19.122 0.1 . 1 . . . . 82 VAL CG2 . 15084 1 1056 . 1 1 82 82 VAL N N 15 131.900 0.1 . 1 . . . . 82 VAL N . 15084 1 1057 . 1 1 83 83 HIS H H 1 8.597 0.03 . 1 . . . . 83 HIS HN . 15084 1 1058 . 1 1 83 83 HIS HA H 1 4.919 0.03 . 1 . . . . 83 HIS HA . 15084 1 1059 . 1 1 83 83 HIS HB2 H 1 2.794 0.03 . 2 . . . . 83 HIS HB1 . 15084 1 1060 . 1 1 83 83 HIS HB3 H 1 3.032 0.03 . 2 . . . . 83 HIS HB2 . 15084 1 1061 . 1 1 83 83 HIS HD2 H 1 7.055 0.03 . 1 . . . . 83 HIS HD2 . 15084 1 1062 . 1 1 83 83 HIS HE1 H 1 7.790 0.03 . 1 . . . . 83 HIS HE1 . 15084 1 1063 . 1 1 83 83 HIS C C 13 173.100 0.1 . 1 . . . . 83 HIS C . 15084 1 1064 . 1 1 83 83 HIS CA C 13 55.010 0.1 . 1 . . . . 83 HIS CA . 15084 1 1065 . 1 1 83 83 HIS CB C 13 33.650 0.1 . 1 . . . . 83 HIS CB . 15084 1 1066 . 1 1 83 83 HIS CD2 C 13 118.000 0.1 . 1 . . . . 83 HIS CD2 . 15084 1 1067 . 1 1 83 83 HIS CE1 C 13 108.800 0.1 . 1 . . . . 83 HIS CE1 . 15084 1 1068 . 1 1 83 83 HIS N N 15 123.700 0.1 . 1 . . . . 83 HIS N . 15084 1 1069 . 1 1 83 83 HIS ND1 N 15 218.100 0.1 . 1 . . . . 83 HIS ND1 . 15084 1 1070 . 1 1 83 83 HIS NE2 N 15 184.700 0.1 . 1 . . . . 83 HIS NE2 . 15084 1 1071 . 1 1 84 84 LEU H H 1 8.755 0.03 . 1 . . . . 84 LEU HN . 15084 1 1072 . 1 1 84 84 LEU HA H 1 5.314 0.03 . 1 . . . . 84 LEU HA . 15084 1 1073 . 1 1 84 84 LEU HB2 H 1 1.895 0.03 . 2 . . . . 84 LEU HB1 . 15084 1 1074 . 1 1 84 84 LEU HB3 H 1 1.412 0.03 . 2 . . . . 84 LEU HB2 . 15084 1 1075 . 1 1 84 84 LEU HG H 1 1.477 0.03 . 1 . . . . 84 LEU HG . 15084 1 1076 . 1 1 84 84 LEU HD11 H 1 0.970 0.03 . 2 . . . . 84 LEU HD11 . 15084 1 1077 . 1 1 84 84 LEU HD12 H 1 0.970 0.03 . 2 . . . . 84 LEU HD11 . 15084 1 1078 . 1 1 84 84 LEU HD13 H 1 0.970 0.03 . 2 . . . . 84 LEU HD11 . 15084 1 1079 . 1 1 84 84 LEU HD21 H 1 0.880 0.03 . 2 . . . . 84 LEU HD21 . 15084 1 1080 . 1 1 84 84 LEU HD22 H 1 0.880 0.03 . 2 . . . . 84 LEU HD21 . 15084 1 1081 . 1 1 84 84 LEU HD23 H 1 0.880 0.03 . 2 . . . . 84 LEU HD21 . 15084 1 1082 . 1 1 84 84 LEU C C 13 176.200 0.1 . 1 . . . . 84 LEU C . 15084 1 1083 . 1 1 84 84 LEU CA C 13 53.550 0.1 . 1 . . . . 84 LEU CA . 15084 1 1084 . 1 1 84 84 LEU CB C 13 44.369 0.1 . 1 . . . . 84 LEU CB . 15084 1 1085 . 1 1 84 84 LEU CG C 13 26.870 0.1 . 1 . . . . 84 LEU CG . 15084 1 1086 . 1 1 84 84 LEU CD1 C 13 25.700 0.1 . 1 . . . . 84 LEU CD1 . 15084 1 1087 . 1 1 84 84 LEU CD2 C 13 23.732 0.1 . 1 . . . . 84 LEU CD2 . 15084 1 1088 . 1 1 84 84 LEU N N 15 122.900 0.1 . 1 . . . . 84 LEU N . 15084 1 1089 . 1 1 85 85 ALA H H 1 9.404 0.03 . 1 . . . . 85 ALA HN . 15084 1 1090 . 1 1 85 85 ALA HA H 1 4.707 0.03 . 1 . . . . 85 ALA HA . 15084 1 1091 . 1 1 85 85 ALA HB1 H 1 1.267 0.03 . 1 . . . . 85 ALA HB1 . 15084 1 1092 . 1 1 85 85 ALA HB2 H 1 1.267 0.03 . 1 . . . . 85 ALA HB1 . 15084 1 1093 . 1 1 85 85 ALA HB3 H 1 1.267 0.03 . 1 . . . . 85 ALA HB1 . 15084 1 1094 . 1 1 85 85 ALA C C 13 176.800 0.1 . 1 . . . . 85 ALA C . 15084 1 1095 . 1 1 85 85 ALA CA C 13 51.110 0.1 . 1 . . . . 85 ALA CA . 15084 1 1096 . 1 1 85 85 ALA CB C 13 20.585 0.1 . 1 . . . . 85 ALA CB . 15084 1 1097 . 1 1 85 85 ALA N N 15 130.400 0.1 . 1 . . . . 85 ALA N . 15084 1 1098 . 1 1 86 86 ASN H H 1 8.690 0.03 . 1 . . . . 86 ASN HN . 15084 1 1099 . 1 1 86 86 ASN HA H 1 4.364 0.03 . 1 . . . . 86 ASN HA . 15084 1 1100 . 1 1 86 86 ASN HB2 H 1 3.027 0.03 . 2 . . . . 86 ASN HB1 . 15084 1 1101 . 1 1 86 86 ASN HB3 H 1 2.722 0.03 . 2 . . . . 86 ASN HB2 . 15084 1 1102 . 1 1 86 86 ASN HD21 H 1 7.640 0.03 . 2 . . . . 86 ASN HD21 . 15084 1 1103 . 1 1 86 86 ASN HD22 H 1 6.930 0.03 . 2 . . . . 86 ASN HD22 . 15084 1 1104 . 1 1 86 86 ASN C C 13 175.000 0.1 . 1 . . . . 86 ASN C . 15084 1 1105 . 1 1 86 86 ASN CA C 13 53.826 0.1 . 1 . . . . 86 ASN CA . 15084 1 1106 . 1 1 86 86 ASN CB C 13 37.294 0.1 . 1 . . . . 86 ASN CB . 15084 1 1107 . 1 1 86 86 ASN CG C 13 178.000 0.1 . 1 . . . . 86 ASN CG . 15084 1 1108 . 1 1 86 86 ASN N N 15 129.800 0.1 . 1 . . . . 86 ASN N . 15084 1 1109 . 1 1 87 87 GLY H H 1 8.511 0.03 . 1 . . . . 87 GLY HN . 15084 1 1110 . 1 1 87 87 GLY HA2 H 1 3.670 0.03 . 2 . . . . 87 GLY HA1 . 15084 1 1111 . 1 1 87 87 GLY HA3 H 1 4.232 0.03 . 2 . . . . 87 GLY HA2 . 15084 1 1112 . 1 1 87 87 GLY C C 13 172.600 0.1 . 1 . . . . 87 GLY C . 15084 1 1113 . 1 1 87 87 GLY CA C 13 45.550 0.1 . 1 . . . . 87 GLY CA . 15084 1 1114 . 1 1 87 87 GLY N N 15 103.000 0.1 . 1 . . . . 87 GLY N . 15084 1 1115 . 1 1 88 88 LYS H H 1 7.830 0.03 . 1 . . . . 88 LYS HN . 15084 1 1116 . 1 1 88 88 LYS HA H 1 5.117 0.03 . 1 . . . . 88 LYS HA . 15084 1 1117 . 1 1 88 88 LYS HB2 H 1 1.640 0.03 . 2 . . . . 88 LYS HB1 . 15084 1 1118 . 1 1 88 88 LYS HB3 H 1 1.760 0.03 . 2 . . . . 88 LYS HB2 . 15084 1 1119 . 1 1 88 88 LYS HG2 H 1 1.270 0.03 . 1 . . . . 88 LYS HG1 . 15084 1 1120 . 1 1 88 88 LYS HG3 H 1 1.270 0.03 . 1 . . . . 88 LYS HG2 . 15084 1 1121 . 1 1 88 88 LYS HD2 H 1 1.470 0.03 . 1 . . . . 88 LYS HD1 . 15084 1 1122 . 1 1 88 88 LYS HD3 H 1 1.470 0.03 . 1 . . . . 88 LYS HD2 . 15084 1 1123 . 1 1 88 88 LYS HE2 H 1 2.850 0.03 . 1 . . . . 88 LYS HE1 . 15084 1 1124 . 1 1 88 88 LYS HE3 H 1 2.850 0.03 . 1 . . . . 88 LYS HE2 . 15084 1 1125 . 1 1 88 88 LYS C C 13 175.500 0.1 . 1 . . . . 88 LYS C . 15084 1 1126 . 1 1 88 88 LYS CA C 13 54.620 0.1 . 1 . . . . 88 LYS CA . 15084 1 1127 . 1 1 88 88 LYS CB C 13 34.500 0.1 . 1 . . . . 88 LYS CB . 15084 1 1128 . 1 1 88 88 LYS CG C 13 24.800 0.1 . 1 . . . . 88 LYS CG . 15084 1 1129 . 1 1 88 88 LYS CD C 13 29.800 0.1 . 1 . . . . 88 LYS CD . 15084 1 1130 . 1 1 88 88 LYS CE C 13 41.700 0.1 . 1 . . . . 88 LYS CE . 15084 1 1131 . 1 1 88 88 LYS N N 15 120.300 0.1 . 1 . . . . 88 LYS N . 15084 1 1132 . 1 1 89 89 LEU H H 1 8.566 0.03 . 1 . . . . 89 LEU HN . 15084 1 1133 . 1 1 89 89 LEU HA H 1 4.931 0.03 . 1 . . . . 89 LEU HA . 15084 1 1134 . 1 1 89 89 LEU HB2 H 1 1.431 0.03 . 2 . . . . 89 LEU HB1 . 15084 1 1135 . 1 1 89 89 LEU HB3 H 1 0.979 0.03 . 2 . . . . 89 LEU HB2 . 15084 1 1136 . 1 1 89 89 LEU HG H 1 0.890 0.03 . 1 . . . . 89 LEU HG . 15084 1 1137 . 1 1 89 89 LEU HD11 H 1 0.148 0.03 . 2 . . . . 89 LEU HD11 . 15084 1 1138 . 1 1 89 89 LEU HD12 H 1 0.148 0.03 . 2 . . . . 89 LEU HD11 . 15084 1 1139 . 1 1 89 89 LEU HD13 H 1 0.148 0.03 . 2 . . . . 89 LEU HD11 . 15084 1 1140 . 1 1 89 89 LEU HD21 H 1 -0.192 0.03 . 2 . . . . 89 LEU HD21 . 15084 1 1141 . 1 1 89 89 LEU HD22 H 1 -0.192 0.03 . 2 . . . . 89 LEU HD21 . 15084 1 1142 . 1 1 89 89 LEU HD23 H 1 -0.192 0.03 . 2 . . . . 89 LEU HD21 . 15084 1 1143 . 1 1 89 89 LEU C C 13 177.200 0.1 . 1 . . . . 89 LEU C . 15084 1 1144 . 1 1 89 89 LEU CA C 13 53.850 0.1 . 1 . . . . 89 LEU CA . 15084 1 1145 . 1 1 89 89 LEU CB C 13 42.065 0.1 . 1 . . . . 89 LEU CB . 15084 1 1146 . 1 1 89 89 LEU CG C 13 26.200 0.1 . 1 . . . . 89 LEU CG . 15084 1 1147 . 1 1 89 89 LEU CD1 C 13 22.746 0.1 . 1 . . . . 89 LEU CD1 . 15084 1 1148 . 1 1 89 89 LEU CD2 C 13 23.641 0.1 . 1 . . . . 89 LEU CD2 . 15084 1 1149 . 1 1 89 89 LEU N N 15 122.200 0.1 . 1 . . . . 89 LEU N . 15084 1 1150 . 1 1 90 90 VAL H H 1 9.425 0.03 . 1 . . . . 90 VAL HN . 15084 1 1151 . 1 1 90 90 VAL HA H 1 5.156 0.03 . 1 . . . . 90 VAL HA . 15084 1 1152 . 1 1 90 90 VAL HB H 1 1.940 0.03 . 1 . . . . 90 VAL HB . 15084 1 1153 . 1 1 90 90 VAL HG11 H 1 0.970 0.03 . 2 . . . . 90 VAL HG11 . 15084 1 1154 . 1 1 90 90 VAL HG12 H 1 0.970 0.03 . 2 . . . . 90 VAL HG11 . 15084 1 1155 . 1 1 90 90 VAL HG13 H 1 0.970 0.03 . 2 . . . . 90 VAL HG11 . 15084 1 1156 . 1 1 90 90 VAL HG21 H 1 0.950 0.03 . 2 . . . . 90 VAL HG21 . 15084 1 1157 . 1 1 90 90 VAL HG22 H 1 0.950 0.03 . 2 . . . . 90 VAL HG21 . 15084 1 1158 . 1 1 90 90 VAL HG23 H 1 0.950 0.03 . 2 . . . . 90 VAL HG21 . 15084 1 1159 . 1 1 90 90 VAL C C 13 174.900 0.1 . 1 . . . . 90 VAL C . 15084 1 1160 . 1 1 90 90 VAL CA C 13 61.180 0.1 . 1 . . . . 90 VAL CA . 15084 1 1161 . 1 1 90 90 VAL CB C 13 35.000 0.1 . 1 . . . . 90 VAL CB . 15084 1 1162 . 1 1 90 90 VAL CG1 C 13 21.600 0.1 . 1 . . . . 90 VAL CG1 . 15084 1 1163 . 1 1 90 90 VAL CG2 C 13 21.100 0.1 . 1 . . . . 90 VAL CG2 . 15084 1 1164 . 1 1 90 90 VAL N N 15 123.600 0.1 . 1 . . . . 90 VAL N . 15084 1 1165 . 1 1 91 91 THR H H 1 9.361 0.03 . 1 . . . . 91 THR HN . 15084 1 1166 . 1 1 91 91 THR HA H 1 4.653 0.03 . 1 . . . . 91 THR HA . 15084 1 1167 . 1 1 91 91 THR HB H 1 4.005 0.03 . 1 . . . . 91 THR HB . 15084 1 1168 . 1 1 91 91 THR HG21 H 1 1.153 0.03 . 1 . . . . 91 THR HG21 . 15084 1 1169 . 1 1 91 91 THR HG22 H 1 1.153 0.03 . 1 . . . . 91 THR HG21 . 15084 1 1170 . 1 1 91 91 THR HG23 H 1 1.153 0.03 . 1 . . . . 91 THR HG21 . 15084 1 1171 . 1 1 91 91 THR C C 13 172.900 0.1 . 1 . . . . 91 THR C . 15084 1 1172 . 1 1 91 91 THR CA C 13 62.700 0.1 . 1 . . . . 91 THR CA . 15084 1 1173 . 1 1 91 91 THR CB C 13 69.300 0.1 . 1 . . . . 91 THR CB . 15084 1 1174 . 1 1 91 91 THR CG2 C 13 21.217 0.1 . 1 . . . . 91 THR CG2 . 15084 1 1175 . 1 1 91 91 THR N N 15 127.100 0.1 . 1 . . . . 91 THR N . 15084 1 1176 . 1 1 92 92 LYS H H 1 9.110 0.03 . 1 . . . . 92 LYS HN . 15084 1 1177 . 1 1 92 92 LYS HA H 1 4.849 0.03 . 1 . . . . 92 LYS HA . 15084 1 1178 . 1 1 92 92 LYS HB2 H 1 1.700 0.03 . 2 . . . . 92 LYS HB1 . 15084 1 1179 . 1 1 92 92 LYS HB3 H 1 1.830 0.03 . 2 . . . . 92 LYS HB2 . 15084 1 1180 . 1 1 92 92 LYS HG2 H 1 1.389 0.03 . 1 . . . . 92 LYS HG1 . 15084 1 1181 . 1 1 92 92 LYS HG3 H 1 1.389 0.03 . 1 . . . . 92 LYS HG2 . 15084 1 1182 . 1 1 92 92 LYS HD2 H 1 1.620 0.03 . 1 . . . . 92 LYS HD1 . 15084 1 1183 . 1 1 92 92 LYS HD3 H 1 1.620 0.03 . 1 . . . . 92 LYS HD2 . 15084 1 1184 . 1 1 92 92 LYS HE2 H 1 2.920 0.03 . 1 . . . . 92 LYS HE1 . 15084 1 1185 . 1 1 92 92 LYS HE3 H 1 2.920 0.03 . 1 . . . . 92 LYS HE2 . 15084 1 1186 . 1 1 92 92 LYS C C 13 174.400 0.1 . 1 . . . . 92 LYS C . 15084 1 1187 . 1 1 92 92 LYS CA C 13 54.780 0.1 . 1 . . . . 92 LYS CA . 15084 1 1188 . 1 1 92 92 LYS CB C 13 35.890 0.1 . 1 . . . . 92 LYS CB . 15084 1 1189 . 1 1 92 92 LYS CG C 13 24.500 0.1 . 1 . . . . 92 LYS CG . 15084 1 1190 . 1 1 92 92 LYS CD C 13 29.000 0.1 . 1 . . . . 92 LYS CD . 15084 1 1191 . 1 1 92 92 LYS CE C 13 41.600 0.1 . 1 . . . . 92 LYS CE . 15084 1 1192 . 1 1 92 92 LYS N N 15 125.400 0.1 . 1 . . . . 92 LYS N . 15084 1 1193 . 1 1 93 93 SER H H 1 8.333 0.03 . 1 . . . . 93 SER HN . 15084 1 1194 . 1 1 93 93 SER HA H 1 4.608 0.03 . 1 . . . . 93 SER HA . 15084 1 1195 . 1 1 93 93 SER HB2 H 1 3.767 0.03 . 2 . . . . 93 SER HB1 . 15084 1 1196 . 1 1 93 93 SER HB3 H 1 2.967 0.03 . 2 . . . . 93 SER HB2 . 15084 1 1197 . 1 1 93 93 SER C C 13 173.300 0.1 . 1 . . . . 93 SER C . 15084 1 1198 . 1 1 93 93 SER CA C 13 55.252 0.1 . 1 . . . . 93 SER CA . 15084 1 1199 . 1 1 93 93 SER CB C 13 65.830 0.1 . 1 . . . . 93 SER CB . 15084 1 1200 . 1 1 93 93 SER N N 15 118.300 0.1 . 1 . . . . 93 SER N . 15084 1 1201 . 1 1 94 94 GLU H H 1 8.740 0.03 . 1 . . . . 94 GLU HN . 15084 1 1202 . 1 1 94 94 GLU HA H 1 4.054 0.03 . 1 . . . . 94 GLU HA . 15084 1 1203 . 1 1 94 94 GLU HB2 H 1 2.024 0.03 . 1 . . . . 94 GLU HB1 . 15084 1 1204 . 1 1 94 94 GLU HB3 H 1 2.024 0.03 . 1 . . . . 94 GLU HB2 . 15084 1 1205 . 1 1 94 94 GLU HG2 H 1 2.300 0.03 . 2 . . . . 94 GLU HG1 . 15084 1 1206 . 1 1 94 94 GLU HG3 H 1 2.229 0.03 . 2 . . . . 94 GLU HG2 . 15084 1 1207 . 1 1 94 94 GLU C C 13 177.500 0.1 . 1 . . . . 94 GLU C . 15084 1 1208 . 1 1 94 94 GLU CA C 13 58.960 0.1 . 1 . . . . 94 GLU CA . 15084 1 1209 . 1 1 94 94 GLU CB C 13 28.900 0.1 . 1 . . . . 94 GLU CB . 15084 1 1210 . 1 1 94 94 GLU CG C 13 36.200 0.1 . 1 . . . . 94 GLU CG . 15084 1 1211 . 1 1 94 94 GLU CD C 13 183.700 0.1 . 1 . . . . 94 GLU CD . 15084 1 1212 . 1 1 94 94 GLU N N 15 119.600 0.1 . 1 . . . . 94 GLU N . 15084 1 1213 . 1 1 95 95 LYS H H 1 8.279 0.03 . 1 . . . . 95 LYS HN . 15084 1 1214 . 1 1 95 95 LYS HA H 1 4.273 0.03 . 1 . . . . 95 LYS HA . 15084 1 1215 . 1 1 95 95 LYS HB2 H 1 1.750 0.03 . 2 . . . . 95 LYS HB1 . 15084 1 1216 . 1 1 95 95 LYS HB3 H 1 1.770 0.03 . 2 . . . . 95 LYS HB2 . 15084 1 1217 . 1 1 95 95 LYS HG2 H 1 1.290 0.03 . 1 . . . . 95 LYS HG1 . 15084 1 1218 . 1 1 95 95 LYS HG3 H 1 1.290 0.03 . 1 . . . . 95 LYS HG2 . 15084 1 1219 . 1 1 95 95 LYS HD2 H 1 1.650 0.03 . 2 . . . . 95 LYS HD2 . 15084 1 1220 . 1 1 95 95 LYS HE2 H 1 2.910 0.03 . 2 . . . . 95 LYS HE1 . 15084 1 1221 . 1 1 95 95 LYS HE3 H 1 3.040 0.03 . 2 . . . . 95 LYS HE2 . 15084 1 1222 . 1 1 95 95 LYS C C 13 175.300 0.1 . 1 . . . . 95 LYS C . 15084 1 1223 . 1 1 95 95 LYS CA C 13 55.600 0.1 . 1 . . . . 95 LYS CA . 15084 1 1224 . 1 1 95 95 LYS CB C 13 34.750 0.1 . 1 . . . . 95 LYS CB . 15084 1 1225 . 1 1 95 95 LYS CG C 13 24.850 0.1 . 1 . . . . 95 LYS CG . 15084 1 1226 . 1 1 95 95 LYS CD C 13 28.400 0.1 . 1 . . . . 95 LYS CD . 15084 1 1227 . 1 1 95 95 LYS CE C 13 39.600 0.1 . 1 . . . . 95 LYS CE . 15084 1 1228 . 1 1 95 95 LYS N N 15 114.300 0.1 . 1 . . . . 95 LYS N . 15084 1 1229 . 1 1 96 96 PHE H H 1 6.979 0.03 . 1 . . . . 96 PHE HN . 15084 1 1230 . 1 1 96 96 PHE HA H 1 5.804 0.03 . 1 . . . . 96 PHE HA . 15084 1 1231 . 1 1 96 96 PHE HB2 H 1 3.452 0.03 . 2 . . . . 96 PHE HB1 . 15084 1 1232 . 1 1 96 96 PHE HB3 H 1 3.267 0.03 . 2 . . . . 96 PHE HB2 . 15084 1 1233 . 1 1 96 96 PHE HD1 H 1 6.990 0.03 . 1 . . . . 96 PHE HD1 . 15084 1 1234 . 1 1 96 96 PHE HD2 H 1 6.990 0.03 . 1 . . . . 96 PHE HD2 . 15084 1 1235 . 1 1 96 96 PHE HE1 H 1 7.030 0.03 . 1 . . . . 96 PHE HE1 . 15084 1 1236 . 1 1 96 96 PHE HE2 H 1 7.030 0.03 . 1 . . . . 96 PHE HE2 . 15084 1 1237 . 1 1 96 96 PHE HZ H 1 7.130 0.03 . 1 . . . . 96 PHE HZ . 15084 1 1238 . 1 1 96 96 PHE C C 13 173.000 0.1 . 1 . . . . 96 PHE C . 15084 1 1239 . 1 1 96 96 PHE CA C 13 55.610 0.1 . 1 . . . . 96 PHE CA . 15084 1 1240 . 1 1 96 96 PHE CB C 13 43.350 0.1 . 1 . . . . 96 PHE CB . 15084 1 1241 . 1 1 96 96 PHE CD1 C 13 130.500 0.1 . 1 . . . . 96 PHE CD1 . 15084 1 1242 . 1 1 96 96 PHE CD2 C 13 130.500 0.1 . 1 . . . . 96 PHE CD2 . 15084 1 1243 . 1 1 96 96 PHE CE1 C 13 129.000 0.1 . 1 . . . . 96 PHE CE1 . 15084 1 1244 . 1 1 96 96 PHE CE2 C 13 129.000 0.1 . 1 . . . . 96 PHE CE2 . 15084 1 1245 . 1 1 96 96 PHE CZ C 13 128.600 0.1 . 1 . . . . 96 PHE CZ . 15084 1 1246 . 1 1 96 96 PHE N N 15 113.400 0.1 . 1 . . . . 96 PHE N . 15084 1 1247 . 1 1 97 97 SER H H 1 8.705 0.03 . 1 . . . . 97 SER HN . 15084 1 1248 . 1 1 97 97 SER HA H 1 5.148 0.03 . 1 . . . . 97 SER HA . 15084 1 1249 . 1 1 97 97 SER HB2 H 1 3.870 0.03 . 1 . . . . 97 SER HB1 . 15084 1 1250 . 1 1 97 97 SER HB3 H 1 3.870 0.03 . 1 . . . . 97 SER HB2 . 15084 1 1251 . 1 1 97 97 SER C C 13 171.700 0.1 . 1 . . . . 97 SER C . 15084 1 1252 . 1 1 97 97 SER CA C 13 57.380 0.1 . 1 . . . . 97 SER CA . 15084 1 1253 . 1 1 97 97 SER CB C 13 65.710 0.1 . 1 . . . . 97 SER CB . 15084 1 1254 . 1 1 97 97 SER N N 15 112.600 0.1 . 1 . . . . 97 SER N . 15084 1 1255 . 1 1 98 98 HIS H H 1 9.545 0.03 . 1 . . . . 98 HIS HN . 15084 1 1256 . 1 1 98 98 HIS HA H 1 5.122 0.03 . 1 . . . . 98 HIS HA . 15084 1 1257 . 1 1 98 98 HIS HB2 H 1 3.225 0.03 . 2 . . . . 98 HIS HB1 . 15084 1 1258 . 1 1 98 98 HIS HB3 H 1 2.762 0.03 . 2 . . . . 98 HIS HB2 . 15084 1 1259 . 1 1 98 98 HIS HD2 H 1 6.510 0.03 . 1 . . . . 98 HIS HD2 . 15084 1 1260 . 1 1 98 98 HIS HE1 H 1 7.810 0.03 . 1 . . . . 98 HIS HE1 . 15084 1 1261 . 1 1 98 98 HIS C C 13 173.000 0.1 . 1 . . . . 98 HIS C . 15084 1 1262 . 1 1 98 98 HIS CA C 13 57.150 0.1 . 1 . . . . 98 HIS CA . 15084 1 1263 . 1 1 98 98 HIS CB C 13 34.890 0.1 . 1 . . . . 98 HIS CB . 15084 1 1264 . 1 1 98 98 HIS CD2 C 13 113.000 0.1 . 1 . . . . 98 HIS CD2 . 15084 1 1265 . 1 1 98 98 HIS CE1 C 13 111.160 0.1 . 1 . . . . 98 HIS CE1 . 15084 1 1266 . 1 1 98 98 HIS N N 15 128.200 0.1 . 1 . . . . 98 HIS N . 15084 1 1267 . 1 1 98 98 HIS ND1 N 15 253.000 0.1 . 1 . . . . 98 HIS ND1 . 15084 1 1268 . 1 1 98 98 HIS NE2 N 15 162.200 0.1 . 1 . . . . 98 HIS NE2 . 15084 1 1269 . 1 1 99 99 GLU H H 1 7.970 0.03 . 1 . . . . 99 GLU HN . 15084 1 1270 . 1 1 99 99 GLU HA H 1 5.546 0.03 . 1 . . . . 99 GLU HA . 15084 1 1271 . 1 1 99 99 GLU HB2 H 1 1.894 0.03 . 2 . . . . 99 GLU HB1 . 15084 1 1272 . 1 1 99 99 GLU HB3 H 1 1.889 0.03 . 2 . . . . 99 GLU HB2 . 15084 1 1273 . 1 1 99 99 GLU HG2 H 1 2.213 0.03 . 2 . . . . 99 GLU HG1 . 15084 1 1274 . 1 1 99 99 GLU HG3 H 1 2.162 0.03 . 2 . . . . 99 GLU HG2 . 15084 1 1275 . 1 1 99 99 GLU C C 13 174.700 0.1 . 1 . . . . 99 GLU C . 15084 1 1276 . 1 1 99 99 GLU CA C 13 54.240 0.1 . 1 . . . . 99 GLU CA . 15084 1 1277 . 1 1 99 99 GLU CB C 13 34.173 0.1 . 1 . . . . 99 GLU CB . 15084 1 1278 . 1 1 99 99 GLU CG C 13 37.100 0.1 . 1 . . . . 99 GLU CG . 15084 1 1279 . 1 1 99 99 GLU CD C 13 183.460 0.1 . 1 . . . . 99 GLU CD . 15084 1 1280 . 1 1 99 99 GLU N N 15 125.700 0.1 . 1 . . . . 99 GLU N . 15084 1 1281 . 1 1 100 100 GLN H H 1 9.196 0.03 . 1 . . . . 100 GLN HN . 15084 1 1282 . 1 1 100 100 GLN HA H 1 5.205 0.03 . 1 . . . . 100 GLN HA . 15084 1 1283 . 1 1 100 100 GLN HB2 H 1 2.068 0.03 . 2 . . . . 100 GLN HB1 . 15084 1 1284 . 1 1 100 100 GLN HB3 H 1 1.956 0.03 . 2 . . . . 100 GLN HB2 . 15084 1 1285 . 1 1 100 100 GLN HG2 H 1 2.000 0.03 . 2 . . . . 100 GLN HG1 . 15084 1 1286 . 1 1 100 100 GLN HG3 H 1 1.920 0.03 . 2 . . . . 100 GLN HG2 . 15084 1 1287 . 1 1 100 100 GLN C C 13 172.800 0.1 . 1 . . . . 100 GLN C . 15084 1 1288 . 1 1 100 100 GLN CA C 13 54.545 0.1 . 1 . . . . 100 GLN CA . 15084 1 1289 . 1 1 100 100 GLN CB C 13 32.480 0.1 . 1 . . . . 100 GLN CB . 15084 1 1290 . 1 1 100 100 GLN CG C 13 32.600 0.1 . 1 . . . . 100 GLN CG . 15084 1 1291 . 1 1 100 100 GLN CD C 13 176.500 0.1 . 1 . . . . 100 GLN CD . 15084 1 1292 . 1 1 100 100 GLN N N 15 126.000 0.1 . 1 . . . . 100 GLN N . 15084 1 1293 . 1 1 101 101 GLU H H 1 8.862 0.03 . 1 . . . . 101 GLU HN . 15084 1 1294 . 1 1 101 101 GLU HA H 1 5.094 0.03 . 1 . . . . 101 GLU HA . 15084 1 1295 . 1 1 101 101 GLU HB2 H 1 1.893 0.03 . 1 . . . . 101 GLU HB1 . 15084 1 1296 . 1 1 101 101 GLU HB3 H 1 1.893 0.03 . 1 . . . . 101 GLU HB2 . 15084 1 1297 . 1 1 101 101 GLU HG2 H 1 2.139 0.03 . 2 . . . . 101 GLU HG1 . 15084 1 1298 . 1 1 101 101 GLU HG3 H 1 2.078 0.03 . 2 . . . . 101 GLU HG2 . 15084 1 1299 . 1 1 101 101 GLU C C 13 173.300 0.1 . 1 . . . . 101 GLU C . 15084 1 1300 . 1 1 101 101 GLU CA C 13 53.930 0.1 . 1 . . . . 101 GLU CA . 15084 1 1301 . 1 1 101 101 GLU CB C 13 34.280 0.1 . 1 . . . . 101 GLU CB . 15084 1 1302 . 1 1 101 101 GLU CG C 13 35.788 0.1 . 1 . . . . 101 GLU CG . 15084 1 1303 . 1 1 101 101 GLU CD C 13 182.510 0.1 . 1 . . . . 101 GLU CD . 15084 1 1304 . 1 1 101 101 GLU N N 15 125.300 0.1 . 1 . . . . 101 GLU N . 15084 1 1305 . 1 1 102 102 VAL H H 1 8.796 0.03 . 1 . . . . 102 VAL HN . 15084 1 1306 . 1 1 102 102 VAL HA H 1 4.601 0.03 . 1 . . . . 102 VAL HA . 15084 1 1307 . 1 1 102 102 VAL HB H 1 1.458 0.03 . 1 . . . . 102 VAL HB . 15084 1 1308 . 1 1 102 102 VAL HG11 H 1 0.504 0.03 . 2 . . . . 102 VAL HG11 . 15084 1 1309 . 1 1 102 102 VAL HG12 H 1 0.504 0.03 . 2 . . . . 102 VAL HG11 . 15084 1 1310 . 1 1 102 102 VAL HG13 H 1 0.504 0.03 . 2 . . . . 102 VAL HG11 . 15084 1 1311 . 1 1 102 102 VAL HG21 H 1 0.645 0.03 . 2 . . . . 102 VAL HG21 . 15084 1 1312 . 1 1 102 102 VAL HG22 H 1 0.645 0.03 . 2 . . . . 102 VAL HG21 . 15084 1 1313 . 1 1 102 102 VAL HG23 H 1 0.645 0.03 . 2 . . . . 102 VAL HG21 . 15084 1 1314 . 1 1 102 102 VAL C C 13 174.600 0.1 . 1 . . . . 102 VAL C . 15084 1 1315 . 1 1 102 102 VAL CA C 13 60.990 0.1 . 1 . . . . 102 VAL CA . 15084 1 1316 . 1 1 102 102 VAL CB C 13 33.929 0.1 . 1 . . . . 102 VAL CB . 15084 1 1317 . 1 1 102 102 VAL CG1 C 13 22.591 0.1 . 1 . . . . 102 VAL CG1 . 15084 1 1318 . 1 1 102 102 VAL CG2 C 13 20.689 0.1 . 1 . . . . 102 VAL CG2 . 15084 1 1319 . 1 1 102 102 VAL N N 15 124.800 0.1 . 1 . . . . 102 VAL N . 15084 1 1320 . 1 1 103 103 LYS H H 1 8.897 0.03 . 1 . . . . 103 LYS HN . 15084 1 1321 . 1 1 103 103 LYS HA H 1 4.491 0.03 . 1 . . . . 103 LYS HA . 15084 1 1322 . 1 1 103 103 LYS HB2 H 1 1.668 0.03 . 2 . . . . 103 LYS HB1 . 15084 1 1323 . 1 1 103 103 LYS HB3 H 1 1.762 0.03 . 2 . . . . 103 LYS HB2 . 15084 1 1324 . 1 1 103 103 LYS HG2 H 1 1.270 0.03 . 1 . . . . 103 LYS HG1 . 15084 1 1325 . 1 1 103 103 LYS HG3 H 1 1.270 0.03 . 1 . . . . 103 LYS HG2 . 15084 1 1326 . 1 1 103 103 LYS HD2 H 1 1.650 0.03 . 1 . . . . 103 LYS HD1 . 15084 1 1327 . 1 1 103 103 LYS HD3 H 1 1.650 0.03 . 1 . . . . 103 LYS HD2 . 15084 1 1328 . 1 1 103 103 LYS HE2 H 1 2.890 0.03 . 1 . . . . 103 LYS HE1 . 15084 1 1329 . 1 1 103 103 LYS HE3 H 1 2.890 0.03 . 1 . . . . 103 LYS HE2 . 15084 1 1330 . 1 1 103 103 LYS C C 13 176.400 0.1 . 1 . . . . 103 LYS C . 15084 1 1331 . 1 1 103 103 LYS CA C 13 54.770 0.1 . 1 . . . . 103 LYS CA . 15084 1 1332 . 1 1 103 103 LYS CB C 13 33.250 0.1 . 1 . . . . 103 LYS CB . 15084 1 1333 . 1 1 103 103 LYS CG C 13 24.200 0.1 . 1 . . . . 103 LYS CG . 15084 1 1334 . 1 1 103 103 LYS CD C 13 28.900 0.1 . 1 . . . . 103 LYS CD . 15084 1 1335 . 1 1 103 103 LYS CE C 13 42.200 0.1 . 1 . . . . 103 LYS CE . 15084 1 1336 . 1 1 103 103 LYS N N 15 129.100 0.1 . 1 . . . . 103 LYS N . 15084 1 1337 . 1 1 104 104 GLY H H 1 9.123 0.03 . 1 . . . . 104 GLY HN . 15084 1 1338 . 1 1 104 104 GLY HA2 H 1 3.684 0.03 . 2 . . . . 104 GLY HA1 . 15084 1 1339 . 1 1 104 104 GLY HA3 H 1 3.996 0.03 . 2 . . . . 104 GLY HA2 . 15084 1 1340 . 1 1 104 104 GLY C C 13 173.800 0.1 . 1 . . . . 104 GLY C . 15084 1 1341 . 1 1 104 104 GLY CA C 13 47.450 0.1 . 1 . . . . 104 GLY CA . 15084 1 1342 . 1 1 104 104 GLY N N 15 117.000 0.1 . 1 . . . . 104 GLY N . 15084 1 1343 . 1 1 105 105 ASN H H 1 9.002 0.03 . 1 . . . . 105 ASN HN . 15084 1 1344 . 1 1 105 105 ASN HA H 1 4.943 0.03 . 1 . . . . 105 ASN HA . 15084 1 1345 . 1 1 105 105 ASN HB2 H 1 3.244 0.03 . 2 . . . . 105 ASN HB1 . 15084 1 1346 . 1 1 105 105 ASN HB3 H 1 2.872 0.03 . 2 . . . . 105 ASN HB2 . 15084 1 1347 . 1 1 105 105 ASN HD21 H 1 7.700 0.03 . 2 . . . . 105 ASN HD21 . 15084 1 1348 . 1 1 105 105 ASN HD22 H 1 7.040 0.03 . 2 . . . . 105 ASN HD22 . 15084 1 1349 . 1 1 105 105 ASN C C 13 173.200 0.1 . 1 . . . . 105 ASN C . 15084 1 1350 . 1 1 105 105 ASN CA C 13 52.733 0.1 . 1 . . . . 105 ASN CA . 15084 1 1351 . 1 1 105 105 ASN CB C 13 38.671 0.1 . 1 . . . . 105 ASN CB . 15084 1 1352 . 1 1 105 105 ASN CG C 13 177.540 0.1 . 1 . . . . 105 ASN CG . 15084 1 1353 . 1 1 105 105 ASN N N 15 125.600 0.1 . 1 . . . . 105 ASN N . 15084 1 1354 . 1 1 106 106 GLU H H 1 8.075 0.03 . 1 . . . . 106 GLU HN . 15084 1 1355 . 1 1 106 106 GLU HA H 1 5.458 0.03 . 1 . . . . 106 GLU HA . 15084 1 1356 . 1 1 106 106 GLU HB2 H 1 2.352 0.03 . 2 . . . . 106 GLU HB1 . 15084 1 1357 . 1 1 106 106 GLU HB3 H 1 2.103 0.03 . 2 . . . . 106 GLU HB2 . 15084 1 1358 . 1 1 106 106 GLU HG2 H 1 2.350 0.03 . 2 . . . . 106 GLU HG1 . 15084 1 1359 . 1 1 106 106 GLU HG3 H 1 2.460 0.03 . 2 . . . . 106 GLU HG2 . 15084 1 1360 . 1 1 106 106 GLU C C 13 173.200 0.1 . 1 . . . . 106 GLU C . 15084 1 1361 . 1 1 106 106 GLU CA C 13 55.250 0.1 . 1 . . . . 106 GLU CA . 15084 1 1362 . 1 1 106 106 GLU CB C 13 32.920 0.1 . 1 . . . . 106 GLU CB . 15084 1 1363 . 1 1 106 106 GLU CG C 13 35.835 0.1 . 1 . . . . 106 GLU CG . 15084 1 1364 . 1 1 106 106 GLU CD C 13 183.216 0.1 . 1 . . . . 106 GLU CD . 15084 1 1365 . 1 1 106 106 GLU N N 15 120.300 0.1 . 1 . . . . 106 GLU N . 15084 1 1366 . 1 1 107 107 MET H H 1 8.919 0.03 . 1 . . . . 107 MET HN . 15084 1 1367 . 1 1 107 107 MET HA H 1 5.104 0.03 . 1 . . . . 107 MET HA . 15084 1 1368 . 1 1 107 107 MET HB2 H 1 1.412 0.03 . 2 . . . . 107 MET HB1 . 15084 1 1369 . 1 1 107 107 MET HB3 H 1 0.606 0.03 . 2 . . . . 107 MET HB2 . 15084 1 1370 . 1 1 107 107 MET HG2 H 1 1.900 0.03 . 1 . . . . 107 MET HG1 . 15084 1 1371 . 1 1 107 107 MET HG3 H 1 1.900 0.03 . 1 . . . . 107 MET HG2 . 15084 1 1372 . 1 1 107 107 MET HE1 H 1 0.950 0.03 . 1 . . . . 107 MET HE1 . 15084 1 1373 . 1 1 107 107 MET HE2 H 1 0.950 0.03 . 1 . . . . 107 MET HE1 . 15084 1 1374 . 1 1 107 107 MET HE3 H 1 0.950 0.03 . 1 . . . . 107 MET HE1 . 15084 1 1375 . 1 1 107 107 MET C C 13 174.400 0.1 . 1 . . . . 107 MET C . 15084 1 1376 . 1 1 107 107 MET CA C 13 53.510 0.1 . 1 . . . . 107 MET CA . 15084 1 1377 . 1 1 107 107 MET CB C 13 36.500 0.1 . 1 . . . . 107 MET CB . 15084 1 1378 . 1 1 107 107 MET CG C 13 30.500 0.1 . 1 . . . . 107 MET CG . 15084 1 1379 . 1 1 107 107 MET CE C 13 15.500 0.1 . 1 . . . . 107 MET CE . 15084 1 1380 . 1 1 107 107 MET N N 15 124.000 0.1 . 1 . . . . 107 MET N . 15084 1 1381 . 1 1 108 108 VAL H H 1 9.051 0.03 . 1 . . . . 108 VAL HN . 15084 1 1382 . 1 1 108 108 VAL HA H 1 4.808 0.03 . 1 . . . . 108 VAL HA . 15084 1 1383 . 1 1 108 108 VAL HB H 1 1.860 0.03 . 1 . . . . 108 VAL HB . 15084 1 1384 . 1 1 108 108 VAL HG11 H 1 0.858 0.03 . 2 . . . . 108 VAL HG11 . 15084 1 1385 . 1 1 108 108 VAL HG12 H 1 0.858 0.03 . 2 . . . . 108 VAL HG11 . 15084 1 1386 . 1 1 108 108 VAL HG13 H 1 0.858 0.03 . 2 . . . . 108 VAL HG11 . 15084 1 1387 . 1 1 108 108 VAL HG21 H 1 0.767 0.03 . 2 . . . . 108 VAL HG21 . 15084 1 1388 . 1 1 108 108 VAL HG22 H 1 0.767 0.03 . 2 . . . . 108 VAL HG21 . 15084 1 1389 . 1 1 108 108 VAL HG23 H 1 0.767 0.03 . 2 . . . . 108 VAL HG21 . 15084 1 1390 . 1 1 108 108 VAL C C 13 175.300 0.1 . 1 . . . . 108 VAL C . 15084 1 1391 . 1 1 108 108 VAL CA C 13 61.150 0.1 . 1 . . . . 108 VAL CA . 15084 1 1392 . 1 1 108 108 VAL CB C 13 35.100 0.1 . 1 . . . . 108 VAL CB . 15084 1 1393 . 1 1 108 108 VAL CG1 C 13 21.509 0.1 . 1 . . . . 108 VAL CG1 . 15084 1 1394 . 1 1 108 108 VAL CG2 C 13 20.840 0.1 . 1 . . . . 108 VAL CG2 . 15084 1 1395 . 1 1 108 108 VAL N N 15 126.500 0.1 . 1 . . . . 108 VAL N . 15084 1 1396 . 1 1 109 109 GLU H H 1 8.977 0.03 . 1 . . . . 109 GLU HN . 15084 1 1397 . 1 1 109 109 GLU HA H 1 5.213 0.03 . 1 . . . . 109 GLU HA . 15084 1 1398 . 1 1 109 109 GLU HB2 H 1 1.760 0.03 . 2 . . . . 109 GLU HB1 . 15084 1 1399 . 1 1 109 109 GLU HB3 H 1 1.658 0.03 . 2 . . . . 109 GLU HB2 . 15084 1 1400 . 1 1 109 109 GLU HG2 H 1 1.940 0.03 . 1 . . . . 109 GLU HG1 . 15084 1 1401 . 1 1 109 109 GLU HG3 H 1 1.940 0.03 . 1 . . . . 109 GLU HG2 . 15084 1 1402 . 1 1 109 109 GLU C C 13 174.000 0.1 . 1 . . . . 109 GLU C . 15084 1 1403 . 1 1 109 109 GLU CA C 13 53.780 0.1 . 1 . . . . 109 GLU CA . 15084 1 1404 . 1 1 109 109 GLU CB C 13 33.130 0.1 . 1 . . . . 109 GLU CB . 15084 1 1405 . 1 1 109 109 GLU CG C 13 37.200 0.1 . 1 . . . . 109 GLU CG . 15084 1 1406 . 1 1 109 109 GLU CD C 13 183.050 0.1 . 1 . . . . 109 GLU CD . 15084 1 1407 . 1 1 109 109 GLU N N 15 127.300 0.1 . 1 . . . . 109 GLU N . 15084 1 1408 . 1 1 110 110 THR H H 1 8.736 0.03 . 1 . . . . 110 THR HN . 15084 1 1409 . 1 1 110 110 THR HA H 1 4.791 0.03 . 1 . . . . 110 THR HA . 15084 1 1410 . 1 1 110 110 THR HB H 1 3.805 0.03 . 1 . . . . 110 THR HB . 15084 1 1411 . 1 1 110 110 THR HG21 H 1 0.941 0.03 . 1 . . . . 110 THR HG21 . 15084 1 1412 . 1 1 110 110 THR HG22 H 1 0.941 0.03 . 1 . . . . 110 THR HG21 . 15084 1 1413 . 1 1 110 110 THR HG23 H 1 0.941 0.03 . 1 . . . . 110 THR HG21 . 15084 1 1414 . 1 1 110 110 THR C C 13 174.500 0.1 . 1 . . . . 110 THR C . 15084 1 1415 . 1 1 110 110 THR CA C 13 61.760 0.1 . 1 . . . . 110 THR CA . 15084 1 1416 . 1 1 110 110 THR CB C 13 69.093 0.1 . 1 . . . . 110 THR CB . 15084 1 1417 . 1 1 110 110 THR CG2 C 13 20.680 0.1 . 1 . . . . 110 THR CG2 . 15084 1 1418 . 1 1 110 110 THR N N 15 120.900 0.1 . 1 . . . . 110 THR N . 15084 1 1419 . 1 1 111 111 ILE H H 1 9.402 0.03 . 1 . . . . 111 ILE HN . 15084 1 1420 . 1 1 111 111 ILE HA H 1 5.179 0.03 . 1 . . . . 111 ILE HA . 15084 1 1421 . 1 1 111 111 ILE HB H 1 1.528 0.03 . 1 . . . . 111 ILE HB . 15084 1 1422 . 1 1 111 111 ILE HG12 H 1 0.854 0.03 . 1 . . . . 111 ILE HG11 . 15084 1 1423 . 1 1 111 111 ILE HG13 H 1 1.349 0.03 . 1 . . . . 111 ILE HG12 . 15084 1 1424 . 1 1 111 111 ILE HG21 H 1 1.088 0.03 . 1 . . . . 111 ILE HG21 . 15084 1 1425 . 1 1 111 111 ILE HG22 H 1 1.088 0.03 . 1 . . . . 111 ILE HG21 . 15084 1 1426 . 1 1 111 111 ILE HG23 H 1 1.088 0.03 . 1 . . . . 111 ILE HG21 . 15084 1 1427 . 1 1 111 111 ILE HD11 H 1 0.699 0.03 . 1 . . . . 111 ILE HD11 . 15084 1 1428 . 1 1 111 111 ILE HD12 H 1 0.699 0.03 . 1 . . . . 111 ILE HD11 . 15084 1 1429 . 1 1 111 111 ILE HD13 H 1 0.699 0.03 . 1 . . . . 111 ILE HD11 . 15084 1 1430 . 1 1 111 111 ILE C C 13 173.800 0.1 . 1 . . . . 111 ILE C . 15084 1 1431 . 1 1 111 111 ILE CA C 13 59.810 0.1 . 1 . . . . 111 ILE CA . 15084 1 1432 . 1 1 111 111 ILE CB C 13 39.311 0.1 . 1 . . . . 111 ILE CB . 15084 1 1433 . 1 1 111 111 ILE CG1 C 13 25.600 0.1 . 1 . . . . 111 ILE CG1 . 15084 1 1434 . 1 1 111 111 ILE CG2 C 13 18.855 0.1 . 1 . . . . 111 ILE CG2 . 15084 1 1435 . 1 1 111 111 ILE CD1 C 13 49.200 0.1 . 1 . . . . 111 ILE CD1 . 15084 1 1436 . 1 1 111 111 ILE N N 15 129.500 0.1 . 1 . . . . 111 ILE N . 15084 1 1437 . 1 1 112 112 THR H H 1 9.498 0.03 . 1 . . . . 112 THR HN . 15084 1 1438 . 1 1 112 112 THR HA H 1 5.843 0.03 . 1 . . . . 112 THR HA . 15084 1 1439 . 1 1 112 112 THR HB H 1 3.942 0.03 . 1 . . . . 112 THR HB . 15084 1 1440 . 1 1 112 112 THR HG21 H 1 1.078 0.03 . 1 . . . . 112 THR HG21 . 15084 1 1441 . 1 1 112 112 THR HG22 H 1 1.078 0.03 . 1 . . . . 112 THR HG21 . 15084 1 1442 . 1 1 112 112 THR HG23 H 1 1.078 0.03 . 1 . . . . 112 THR HG21 . 15084 1 1443 . 1 1 112 112 THR C C 13 173.500 0.1 . 1 . . . . 112 THR C . 15084 1 1444 . 1 1 112 112 THR CA C 13 61.170 0.1 . 1 . . . . 112 THR CA . 15084 1 1445 . 1 1 112 112 THR CB C 13 70.689 0.1 . 1 . . . . 112 THR CB . 15084 1 1446 . 1 1 112 112 THR CG2 C 13 20.980 0.1 . 1 . . . . 112 THR CG2 . 15084 1 1447 . 1 1 112 112 THR N N 15 123.000 0.1 . 1 . . . . 112 THR N . 15084 1 1448 . 1 1 113 113 PHE H H 1 9.083 0.03 . 1 . . . . 113 PHE HN . 15084 1 1449 . 1 1 113 113 PHE HA H 1 4.765 0.03 . 1 . . . . 113 PHE HA . 15084 1 1450 . 1 1 113 113 PHE HB2 H 1 2.916 0.03 . 2 . . . . 113 PHE HB1 . 15084 1 1451 . 1 1 113 113 PHE HB3 H 1 2.695 0.03 . 2 . . . . 113 PHE HB2 . 15084 1 1452 . 1 1 113 113 PHE HD1 H 1 6.840 0.03 . 1 . . . . 113 PHE HD1 . 15084 1 1453 . 1 1 113 113 PHE HD2 H 1 6.840 0.03 . 1 . . . . 113 PHE HD2 . 15084 1 1454 . 1 1 113 113 PHE HE1 H 1 7.280 0.03 . 1 . . . . 113 PHE HE1 . 15084 1 1455 . 1 1 113 113 PHE HE2 H 1 7.280 0.03 . 1 . . . . 113 PHE HE2 . 15084 1 1456 . 1 1 113 113 PHE C C 13 175.800 0.1 . 1 . . . . 113 PHE C . 15084 1 1457 . 1 1 113 113 PHE CA C 13 58.210 0.1 . 1 . . . . 113 PHE CA . 15084 1 1458 . 1 1 113 113 PHE CB C 13 43.650 0.1 . 1 . . . . 113 PHE CB . 15084 1 1459 . 1 1 113 113 PHE CD1 C 13 129.200 0.1 . 1 . . . . 113 PHE CD1 . 15084 1 1460 . 1 1 113 113 PHE CD2 C 13 129.200 0.1 . 1 . . . . 113 PHE CD2 . 15084 1 1461 . 1 1 113 113 PHE CE1 C 13 129.300 0.1 . 1 . . . . 113 PHE CE1 . 15084 1 1462 . 1 1 113 113 PHE CE2 C 13 129.300 0.1 . 1 . . . . 113 PHE CE2 . 15084 1 1463 . 1 1 113 113 PHE N N 15 126.700 0.1 . 1 . . . . 113 PHE N . 15084 1 1464 . 1 1 114 114 GLY H H 1 8.472 0.03 . 1 . . . . 114 GLY HN . 15084 1 1465 . 1 1 114 114 GLY HA2 H 1 3.590 0.03 . 1 . . . . 114 GLY HA1 . 15084 1 1466 . 1 1 114 114 GLY HA3 H 1 3.590 0.03 . 1 . . . . 114 GLY HA2 . 15084 1 1467 . 1 1 114 114 GLY C C 13 175.000 0.1 . 1 . . . . 114 GLY C . 15084 1 1468 . 1 1 114 114 GLY CA C 13 46.830 0.1 . 1 . . . . 114 GLY CA . 15084 1 1469 . 1 1 114 114 GLY N N 15 116.700 0.1 . 1 . . . . 114 GLY N . 15084 1 1470 . 1 1 115 115 GLY H H 1 8.533 0.03 . 1 . . . . 115 GLY HN . 15084 1 1471 . 1 1 115 115 GLY HA2 H 1 3.605 0.03 . 2 . . . . 115 GLY HA1 . 15084 1 1472 . 1 1 115 115 GLY HA3 H 1 4.100 0.03 . 2 . . . . 115 GLY HA2 . 15084 1 1473 . 1 1 115 115 GLY C C 13 173.500 0.1 . 1 . . . . 115 GLY C . 15084 1 1474 . 1 1 115 115 GLY CA C 13 44.680 0.1 . 1 . . . . 115 GLY CA . 15084 1 1475 . 1 1 115 115 GLY N N 15 105.500 0.1 . 1 . . . . 115 GLY N . 15084 1 1476 . 1 1 116 116 VAL H H 1 8.128 0.03 . 1 . . . . 116 VAL HN . 15084 1 1477 . 1 1 116 116 VAL HA H 1 4.249 0.03 . 1 . . . . 116 VAL HA . 15084 1 1478 . 1 1 116 116 VAL HB H 1 2.227 0.03 . 1 . . . . 116 VAL HB . 15084 1 1479 . 1 1 116 116 VAL HG11 H 1 0.957 0.03 . 2 . . . . 116 VAL HG11 . 15084 1 1480 . 1 1 116 116 VAL HG12 H 1 0.957 0.03 . 2 . . . . 116 VAL HG11 . 15084 1 1481 . 1 1 116 116 VAL HG13 H 1 0.957 0.03 . 2 . . . . 116 VAL HG11 . 15084 1 1482 . 1 1 116 116 VAL HG21 H 1 1.020 0.03 . 2 . . . . 116 VAL HG21 . 15084 1 1483 . 1 1 116 116 VAL HG22 H 1 1.020 0.03 . 2 . . . . 116 VAL HG21 . 15084 1 1484 . 1 1 116 116 VAL HG23 H 1 1.020 0.03 . 2 . . . . 116 VAL HG21 . 15084 1 1485 . 1 1 116 116 VAL C C 13 174.200 0.1 . 1 . . . . 116 VAL C . 15084 1 1486 . 1 1 116 116 VAL CA C 13 61.870 0.1 . 1 . . . . 116 VAL CA . 15084 1 1487 . 1 1 116 116 VAL CB C 13 33.371 0.1 . 1 . . . . 116 VAL CB . 15084 1 1488 . 1 1 116 116 VAL CG1 C 13 21.400 0.1 . 1 . . . . 116 VAL CG1 . 15084 1 1489 . 1 1 116 116 VAL CG2 C 13 21.600 0.1 . 1 . . . . 116 VAL CG2 . 15084 1 1490 . 1 1 116 116 VAL N N 15 123.900 0.1 . 1 . . . . 116 VAL N . 15084 1 1491 . 1 1 117 117 THR H H 1 8.739 0.03 . 1 . . . . 117 THR HN . 15084 1 1492 . 1 1 117 117 THR HA H 1 5.382 0.03 . 1 . . . . 117 THR HA . 15084 1 1493 . 1 1 117 117 THR HB H 1 3.781 0.03 . 1 . . . . 117 THR HB . 15084 1 1494 . 1 1 117 117 THR HG21 H 1 0.958 0.03 . 1 . . . . 117 THR HG21 . 15084 1 1495 . 1 1 117 117 THR HG22 H 1 0.958 0.03 . 1 . . . . 117 THR HG21 . 15084 1 1496 . 1 1 117 117 THR HG23 H 1 0.958 0.03 . 1 . . . . 117 THR HG21 . 15084 1 1497 . 1 1 117 117 THR C C 13 173.200 0.1 . 1 . . . . 117 THR C . 15084 1 1498 . 1 1 117 117 THR CA C 13 61.523 0.1 . 1 . . . . 117 THR CA . 15084 1 1499 . 1 1 117 117 THR CB C 13 70.311 0.1 . 1 . . . . 117 THR CB . 15084 1 1500 . 1 1 117 117 THR CG2 C 13 21.840 0.1 . 1 . . . . 117 THR CG2 . 15084 1 1501 . 1 1 117 117 THR N N 15 123.500 0.1 . 1 . . . . 117 THR N . 15084 1 1502 . 1 1 118 118 LEU H H 1 9.583 0.03 . 1 . . . . 118 LEU HN . 15084 1 1503 . 1 1 118 118 LEU HA H 1 4.868 0.03 . 1 . . . . 118 LEU HA . 15084 1 1504 . 1 1 118 118 LEU HB2 H 1 0.819 0.03 . 2 . . . . 118 LEU HB1 . 15084 1 1505 . 1 1 118 118 LEU HB3 H 1 0.972 0.03 . 2 . . . . 118 LEU HB2 . 15084 1 1506 . 1 1 118 118 LEU HG H 1 1.050 0.03 . 1 . . . . 118 LEU HG . 15084 1 1507 . 1 1 118 118 LEU HD11 H 1 0.760 0.03 . 2 . . . . 118 LEU HD11 . 15084 1 1508 . 1 1 118 118 LEU HD12 H 1 0.760 0.03 . 2 . . . . 118 LEU HD11 . 15084 1 1509 . 1 1 118 118 LEU HD13 H 1 0.760 0.03 . 2 . . . . 118 LEU HD11 . 15084 1 1510 . 1 1 118 118 LEU HD21 H 1 0.350 0.03 . 2 . . . . 118 LEU HD21 . 15084 1 1511 . 1 1 118 118 LEU HD22 H 1 0.350 0.03 . 2 . . . . 118 LEU HD21 . 15084 1 1512 . 1 1 118 118 LEU HD23 H 1 0.350 0.03 . 2 . . . . 118 LEU HD21 . 15084 1 1513 . 1 1 118 118 LEU C C 13 174.500 0.1 . 1 . . . . 118 LEU C . 15084 1 1514 . 1 1 118 118 LEU CA C 13 53.000 0.1 . 1 . . . . 118 LEU CA . 15084 1 1515 . 1 1 118 118 LEU CB C 13 44.449 0.1 . 1 . . . . 118 LEU CB . 15084 1 1516 . 1 1 118 118 LEU CG C 13 24.300 0.1 . 1 . . . . 118 LEU CG . 15084 1 1517 . 1 1 118 118 LEU CD1 C 13 24.400 0.1 . 1 . . . . 118 LEU CD1 . 15084 1 1518 . 1 1 118 118 LEU CD2 C 13 28.300 0.1 . 1 . . . . 118 LEU CD2 . 15084 1 1519 . 1 1 118 118 LEU N N 15 132.100 0.1 . 1 . . . . 118 LEU N . 15084 1 1520 . 1 1 119 119 ILE H H 1 7.742 0.03 . 1 . . . . 119 ILE HN . 15084 1 1521 . 1 1 119 119 ILE HA H 1 5.088 0.03 . 1 . . . . 119 ILE HA . 15084 1 1522 . 1 1 119 119 ILE HB H 1 1.614 0.03 . 1 . . . . 119 ILE HB . 15084 1 1523 . 1 1 119 119 ILE HG12 H 1 1.085 0.03 . 1 . . . . 119 ILE HG11 . 15084 1 1524 . 1 1 119 119 ILE HG13 H 1 1.360 0.03 . 1 . . . . 119 ILE HG12 . 15084 1 1525 . 1 1 119 119 ILE HG21 H 1 0.659 0.03 . 1 . . . . 119 ILE HG21 . 15084 1 1526 . 1 1 119 119 ILE HG22 H 1 0.659 0.03 . 1 . . . . 119 ILE HG21 . 15084 1 1527 . 1 1 119 119 ILE HG23 H 1 0.659 0.03 . 1 . . . . 119 ILE HG21 . 15084 1 1528 . 1 1 119 119 ILE HD11 H 1 0.747 0.03 . 1 . . . . 119 ILE HD11 . 15084 1 1529 . 1 1 119 119 ILE HD12 H 1 0.747 0.03 . 1 . . . . 119 ILE HD11 . 15084 1 1530 . 1 1 119 119 ILE HD13 H 1 0.747 0.03 . 1 . . . . 119 ILE HD11 . 15084 1 1531 . 1 1 119 119 ILE C C 13 175.400 0.1 . 1 . . . . 119 ILE C . 15084 1 1532 . 1 1 119 119 ILE CA C 13 59.282 0.1 . 1 . . . . 119 ILE CA . 15084 1 1533 . 1 1 119 119 ILE CB C 13 38.991 0.1 . 1 . . . . 119 ILE CB . 15084 1 1534 . 1 1 119 119 ILE CG1 C 13 27.289 0.1 . 1 . . . . 119 ILE CG1 . 15084 1 1535 . 1 1 119 119 ILE CG2 C 13 17.197 0.1 . 1 . . . . 119 ILE CG2 . 15084 1 1536 . 1 1 119 119 ILE CD1 C 13 47.900 0.1 . 1 . . . . 119 ILE CD1 . 15084 1 1537 . 1 1 119 119 ILE N N 15 125.200 0.1 . 1 . . . . 119 ILE N . 15084 1 1538 . 1 1 120 120 ARG HA H 1 4.989 0.03 . 1 . . . . 120 ARG HA . 15084 1 1539 . 1 1 120 120 ARG HB2 H 1 1.810 0.03 . 2 . . . . 120 ARG HB1 . 15084 1 1540 . 1 1 120 120 ARG HB3 H 1 1.812 0.03 . 2 . . . . 120 ARG HB2 . 15084 1 1541 . 1 1 120 120 ARG HG2 H 1 1.390 0.03 . 1 . . . . 120 ARG HG1 . 15084 1 1542 . 1 1 120 120 ARG HG3 H 1 1.390 0.03 . 1 . . . . 120 ARG HG2 . 15084 1 1543 . 1 1 120 120 ARG HD2 H 1 2.830 0.03 . 2 . . . . 120 ARG HD1 . 15084 1 1544 . 1 1 120 120 ARG HD3 H 1 3.100 0.03 . 2 . . . . 120 ARG HD2 . 15084 1 1545 . 1 1 120 120 ARG C C 13 174.800 0.1 . 1 . . . . 120 ARG C . 15084 1 1546 . 1 1 120 120 ARG CA C 13 54.580 0.1 . 1 . . . . 120 ARG CA . 15084 1 1547 . 1 1 120 120 ARG CB C 13 33.900 0.1 . 1 . . . . 120 ARG CB . 15084 1 1548 . 1 1 120 120 ARG CG C 13 27.300 0.1 . 1 . . . . 120 ARG CG . 15084 1 1549 . 1 1 120 120 ARG CD C 13 44.700 0.1 . 1 . . . . 120 ARG CD . 15084 1 1550 . 1 1 121 121 ARG H H 1 9.144 0.03 . 1 . . . . 121 ARG HN . 15084 1 1551 . 1 1 121 121 ARG HA H 1 5.312 0.03 . 1 . . . . 121 ARG HA . 15084 1 1552 . 1 1 121 121 ARG HB2 H 1 1.812 0.03 . 2 . . . . 121 ARG HB1 . 15084 1 1553 . 1 1 121 121 ARG HB3 H 1 1.065 0.03 . 2 . . . . 121 ARG HB2 . 15084 1 1554 . 1 1 121 121 ARG HG2 H 1 1.339 0.03 . 2 . . . . 121 ARG HG1 . 15084 1 1555 . 1 1 121 121 ARG HG3 H 1 1.407 0.03 . 2 . . . . 121 ARG HG2 . 15084 1 1556 . 1 1 121 121 ARG HD2 H 1 2.940 0.03 . 2 . . . . 121 ARG HD1 . 15084 1 1557 . 1 1 121 121 ARG HD3 H 1 3.220 0.03 . 2 . . . . 121 ARG HD2 . 15084 1 1558 . 1 1 121 121 ARG C C 13 174.600 0.1 . 1 . . . . 121 ARG C . 15084 1 1559 . 1 1 121 121 ARG CA C 13 55.040 0.1 . 1 . . . . 121 ARG CA . 15084 1 1560 . 1 1 121 121 ARG CB C 13 31.430 0.1 . 1 . . . . 121 ARG CB . 15084 1 1561 . 1 1 121 121 ARG CG C 13 28.300 0.1 . 1 . . . . 121 ARG CG . 15084 1 1562 . 1 1 121 121 ARG CD C 13 42.700 0.1 . 1 . . . . 121 ARG CD . 15084 1 1563 . 1 1 121 121 ARG N N 15 127.700 0.1 . 1 . . . . 121 ARG N . 15084 1 1564 . 1 1 122 122 SER H H 1 9.356 0.03 . 1 . . . . 122 SER HN . 15084 1 1565 . 1 1 122 122 SER HA H 1 5.695 0.03 . 1 . . . . 122 SER HA . 15084 1 1566 . 1 1 122 122 SER HB2 H 1 3.829 0.03 . 2 . . . . 122 SER HB1 . 15084 1 1567 . 1 1 122 122 SER HB3 H 1 3.670 0.03 . 2 . . . . 122 SER HB2 . 15084 1 1568 . 1 1 122 122 SER C C 13 171.700 0.1 . 1 . . . . 122 SER C . 15084 1 1569 . 1 1 122 122 SER CA C 13 57.820 0.1 . 1 . . . . 122 SER CA . 15084 1 1570 . 1 1 122 122 SER CB C 13 66.500 0.1 . 1 . . . . 122 SER CB . 15084 1 1571 . 1 1 122 122 SER N N 15 118.200 0.1 . 1 . . . . 122 SER N . 15084 1 1572 . 1 1 123 123 LYS H H 1 8.707 0.03 . 1 . . . . 123 LYS HN . 15084 1 1573 . 1 1 123 123 LYS HA H 1 5.759 0.03 . 1 . . . . 123 LYS HA . 15084 1 1574 . 1 1 123 123 LYS HB2 H 1 1.921 0.03 . 1 . . . . 123 LYS HB1 . 15084 1 1575 . 1 1 123 123 LYS HB3 H 1 1.921 0.03 . 1 . . . . 123 LYS HB2 . 15084 1 1576 . 1 1 123 123 LYS HG2 H 1 1.430 0.03 . 2 . . . . 123 LYS HG1 . 15084 1 1577 . 1 1 123 123 LYS HG3 H 1 1.560 0.03 . 2 . . . . 123 LYS HG2 . 15084 1 1578 . 1 1 123 123 LYS HD2 H 1 1.420 0.03 . 1 . . . . 123 LYS HD1 . 15084 1 1579 . 1 1 123 123 LYS HD3 H 1 1.420 0.03 . 1 . . . . 123 LYS HD2 . 15084 1 1580 . 1 1 123 123 LYS HE2 H 1 2.550 0.03 . 1 . . . . 123 LYS HE1 . 15084 1 1581 . 1 1 123 123 LYS HE3 H 1 2.550 0.03 . 1 . . . . 123 LYS HE2 . 15084 1 1582 . 1 1 123 123 LYS C C 13 175.100 0.1 . 1 . . . . 123 LYS C . 15084 1 1583 . 1 1 123 123 LYS CA C 13 53.560 0.1 . 1 . . . . 123 LYS CA . 15084 1 1584 . 1 1 123 123 LYS CB C 13 35.900 0.1 . 1 . . . . 123 LYS CB . 15084 1 1585 . 1 1 123 123 LYS CG C 13 24.000 0.1 . 1 . . . . 123 LYS CG . 15084 1 1586 . 1 1 123 123 LYS CD C 13 29.000 0.1 . 1 . . . . 123 LYS CD . 15084 1 1587 . 1 1 123 123 LYS CE C 13 41.500 0.1 . 1 . . . . 123 LYS CE . 15084 1 1588 . 1 1 123 123 LYS N N 15 120.500 0.1 . 1 . . . . 123 LYS N . 15084 1 1589 . 1 1 124 124 ARG H H 1 8.121 0.03 . 1 . . . . 124 ARG HN . 15084 1 1590 . 1 1 124 124 ARG HA H 1 3.920 0.03 . 1 . . . . 124 ARG HA . 15084 1 1591 . 1 1 124 124 ARG HB2 H 1 1.330 0.03 . 2 . . . . 124 ARG HB1 . 15084 1 1592 . 1 1 124 124 ARG HB3 H 1 1.101 0.03 . 2 . . . . 124 ARG HB2 . 15084 1 1593 . 1 1 124 124 ARG HG2 H 1 0.640 0.03 . 2 . . . . 124 ARG HG1 . 15084 1 1594 . 1 1 124 124 ARG HG3 H 1 0.730 0.03 . 2 . . . . 124 ARG HG2 . 15084 1 1595 . 1 1 124 124 ARG HD2 H 1 2.780 0.03 . 2 . . . . 124 ARG HD1 . 15084 1 1596 . 1 1 124 124 ARG HD3 H 1 2.940 0.03 . 2 . . . . 124 ARG HD2 . 15084 1 1597 . 1 1 124 124 ARG C C 13 176.300 0.1 . 1 . . . . 124 ARG C . 15084 1 1598 . 1 1 124 124 ARG CA C 13 56.670 0.1 . 1 . . . . 124 ARG CA . 15084 1 1599 . 1 1 124 124 ARG CB C 13 30.100 0.1 . 1 . . . . 124 ARG CB . 15084 1 1600 . 1 1 124 124 ARG CG C 13 27.100 0.1 . 1 . . . . 124 ARG CG . 15084 1 1601 . 1 1 124 124 ARG CD C 13 42.800 0.1 . 1 . . . . 124 ARG CD . 15084 1 1602 . 1 1 124 124 ARG N N 15 124.800 0.1 . 1 . . . . 124 ARG N . 15084 1 1603 . 1 1 125 125 VAL H H 1 8.167 0.03 . 1 . . . . 125 VAL HN . 15084 1 1604 . 1 1 125 125 VAL HA H 1 3.985 0.03 . 1 . . . . 125 VAL HA . 15084 1 1605 . 1 1 125 125 VAL HB H 1 1.962 0.03 . 1 . . . . 125 VAL HB . 15084 1 1606 . 1 1 125 125 VAL HG11 H 1 0.733 0.03 . 2 . . . . 125 VAL HG11 . 15084 1 1607 . 1 1 125 125 VAL HG12 H 1 0.733 0.03 . 2 . . . . 125 VAL HG11 . 15084 1 1608 . 1 1 125 125 VAL HG13 H 1 0.733 0.03 . 2 . . . . 125 VAL HG11 . 15084 1 1609 . 1 1 125 125 VAL HG21 H 1 0.860 0.03 . 2 . . . . 125 VAL HG21 . 15084 1 1610 . 1 1 125 125 VAL HG22 H 1 0.860 0.03 . 2 . . . . 125 VAL HG21 . 15084 1 1611 . 1 1 125 125 VAL HG23 H 1 0.860 0.03 . 2 . . . . 125 VAL HG21 . 15084 1 1612 . 1 1 125 125 VAL C C 13 180.600 0.1 . 1 . . . . 125 VAL C . 15084 1 1613 . 1 1 125 125 VAL CA C 13 63.106 0.1 . 1 . . . . 125 VAL CA . 15084 1 1614 . 1 1 125 125 VAL CB C 13 33.046 0.1 . 1 . . . . 125 VAL CB . 15084 1 1615 . 1 1 125 125 VAL CG1 C 13 20.328 0.1 . 1 . . . . 125 VAL CG1 . 15084 1 1616 . 1 1 125 125 VAL CG2 C 13 21.700 0.1 . 1 . . . . 125 VAL CG2 . 15084 1 1617 . 1 1 125 125 VAL N N 15 128.400 0.1 . 1 . . . . 125 VAL N . 15084 1 stop_ save_