data_6947 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6947 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'E. coli Fur' 'monomer/dimer comparison' 'monomeric and dimeric species of the E. coli Fur protein were assigned and compared' 6947 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . 6947 'Fur dimer' . 6947 1 . 6948 'Fur monomer' . 6947 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6947 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift assignments for dimeric E.coli Ferric Uptake Regulator (Fur) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-24 _Entry.Accession_date 2006-01-24 _Entry.Last_release_date 2007-02-06 _Entry.Original_release_date 2007-02-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ludovic Pecqueur . . . 6947 2 Benoit D'Autreaux . . . 6947 3 Bernhard Brutscher . . . 6947 4 Isabelle Michaud-Soret . . . 6947 5 Beate Bersch . . . 6947 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6947 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 517 6947 '15N chemical shifts' 135 6947 '1H chemical shifts' 518 6947 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-02-06 2006-01-24 original author . 6947 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6948 'assignment of monomeric Fur' 6947 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6947 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16690618 _Citation.Full_citation . _Citation.Title ; Structural changes of E. coli Ferric uptake regulator during metal-dependent dimerization and activation explored by NMR and X-ray crystallography ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 30 _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 21286 _Citation.Page_last 21295 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ludovic Pecqueur . . . 6947 1 2 Benoit D'Autreaux . . . 6947 1 3 Jerome Dupuy . . . 6947 1 4 Yvain Nicolet . . . 6947 1 5 Lilian Jacquamet . . . 6947 1 6 Bernhard Brutscher . . . 6947 1 7 Isabelle Michaud-Soret . . . 6947 1 8 Beate Bersch . . . 6947 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6947 _Assembly.ID 1 _Assembly.Name FurD _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and other bound' _Assembly.Molecular_mass 34000 _Assembly.Enzyme_commission_number . _Assembly.Details 'Fur homodimer containing Zn(II) in the structural zinc-binding site' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID homodimer 6947 1 protein 6947 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Fur subunit 1' 1 $Fur . . yes native no no 1 . . 6947 1 2 'Fur subunit 2' 1 $Fur . . yes native no no 1 . . 6947 1 3 'ZINC (II) ION, 1' 2 $ZN . . no native no no . . . 6947 1 4 'ZINC (II) ION, 2' 2 $ZN . . no native no no . . . 6947 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 92 92 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6947 1 2 coordination single . 1 . 1 CYS 95 95 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6947 1 3 coordination single . 2 . 1 CYS 92 92 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6947 1 4 coordination single . 2 . 1 CYS 95 95 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6947 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'protein dimer' 6947 1 2 1 3 'Extremely slow exchange' 6947 1 3 2 4 'Extremely slow exchange' 6947 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcriptional regulator' 6947 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fur _Entity.Sf_category entity _Entity.Sf_framecode Fur _Entity.Entry_ID 6947 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fur _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TDNNTALKKAGLKVTLPRLK ILEVLQEPDNHHVSAEDLYK RLIDMGEEIGLATVYRVLNQ FDDAGIVTRHNFEGGKSVFE LTQQHHHDHLICLDCGKVIE FSDDSIEARQREIAAKHGIR LTNHSLYLYGHCAEGDCRED EHAHEGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq Thr1-Lys147 _Entity.Polymer_author_seq_details 'sequence numbering corresponds to the biological unit after Met1 cleavage' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17000 _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 . THR . 6947 1 2 . ASP . 6947 1 3 . ASN . 6947 1 4 . ASN . 6947 1 5 . THR . 6947 1 6 . ALA . 6947 1 7 . LEU . 6947 1 8 . LYS . 6947 1 9 . LYS . 6947 1 10 . ALA . 6947 1 11 . GLY . 6947 1 12 . LEU . 6947 1 13 . LYS . 6947 1 14 . VAL . 6947 1 15 . THR . 6947 1 16 . LEU . 6947 1 17 . PRO . 6947 1 18 . ARG . 6947 1 19 . LEU . 6947 1 20 . LYS . 6947 1 21 . ILE . 6947 1 22 . LEU . 6947 1 23 . GLU . 6947 1 24 . VAL . 6947 1 25 . LEU . 6947 1 26 . GLN . 6947 1 27 . GLU . 6947 1 28 . PRO . 6947 1 29 . ASP . 6947 1 30 . ASN . 6947 1 31 . HIS . 6947 1 32 . HIS . 6947 1 33 . VAL . 6947 1 34 . SER . 6947 1 35 . ALA . 6947 1 36 . GLU . 6947 1 37 . ASP . 6947 1 38 . LEU . 6947 1 39 . TYR . 6947 1 40 . LYS . 6947 1 41 . ARG . 6947 1 42 . LEU . 6947 1 43 . ILE . 6947 1 44 . ASP . 6947 1 45 . MET . 6947 1 46 . GLY . 6947 1 47 . GLU . 6947 1 48 . GLU . 6947 1 49 . ILE . 6947 1 50 . GLY . 6947 1 51 . LEU . 6947 1 52 . ALA . 6947 1 53 . THR . 6947 1 54 . VAL . 6947 1 55 . TYR . 6947 1 56 . ARG . 6947 1 57 . VAL . 6947 1 58 . LEU . 6947 1 59 . ASN . 6947 1 60 . GLN . 6947 1 61 . PHE . 6947 1 62 . ASP . 6947 1 63 . ASP . 6947 1 64 . ALA . 6947 1 65 . GLY . 6947 1 66 . ILE . 6947 1 67 . VAL . 6947 1 68 . THR . 6947 1 69 . ARG . 6947 1 70 . HIS . 6947 1 71 . ASN . 6947 1 72 . PHE . 6947 1 73 . GLU . 6947 1 74 . GLY . 6947 1 75 . GLY . 6947 1 76 . LYS . 6947 1 77 . SER . 6947 1 78 . VAL . 6947 1 79 . PHE . 6947 1 80 . GLU . 6947 1 81 . LEU . 6947 1 82 . THR . 6947 1 83 . GLN . 6947 1 84 . GLN . 6947 1 85 . HIS . 6947 1 86 . HIS . 6947 1 87 . HIS . 6947 1 88 . ASP . 6947 1 89 . HIS . 6947 1 90 . LEU . 6947 1 91 . ILE . 6947 1 92 . CYS . 6947 1 93 . LEU . 6947 1 94 . ASP . 6947 1 95 . CYS . 6947 1 96 . GLY . 6947 1 97 . LYS . 6947 1 98 . VAL . 6947 1 99 . ILE . 6947 1 100 . GLU . 6947 1 101 . PHE . 6947 1 102 . SER . 6947 1 103 . ASP . 6947 1 104 . ASP . 6947 1 105 . SER . 6947 1 106 . ILE . 6947 1 107 . GLU . 6947 1 108 . ALA . 6947 1 109 . ARG . 6947 1 110 . GLN . 6947 1 111 . ARG . 6947 1 112 . GLU . 6947 1 113 . ILE . 6947 1 114 . ALA . 6947 1 115 . ALA . 6947 1 116 . LYS . 6947 1 117 . HIS . 6947 1 118 . GLY . 6947 1 119 . ILE . 6947 1 120 . ARG . 6947 1 121 . LEU . 6947 1 122 . THR . 6947 1 123 . ASN . 6947 1 124 . HIS . 6947 1 125 . SER . 6947 1 126 . LEU . 6947 1 127 . TYR . 6947 1 128 . LEU . 6947 1 129 . TYR . 6947 1 130 . GLY . 6947 1 131 . HIS . 6947 1 132 . CYS . 6947 1 133 . ALA . 6947 1 134 . GLU . 6947 1 135 . GLY . 6947 1 136 . ASP . 6947 1 137 . CYS . 6947 1 138 . ARG . 6947 1 139 . GLU . 6947 1 140 . ASP . 6947 1 141 . GLU . 6947 1 142 . HIS . 6947 1 143 . ALA . 6947 1 144 . HIS . 6947 1 145 . GLU . 6947 1 146 . GLY . 6947 1 147 . LYS . 6947 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 . THR 1 1 6947 1 . ASP 2 2 6947 1 . ASN 3 3 6947 1 . ASN 4 4 6947 1 . THR 5 5 6947 1 . ALA 6 6 6947 1 . LEU 7 7 6947 1 . LYS 8 8 6947 1 . LYS 9 9 6947 1 . ALA 10 10 6947 1 . GLY 11 11 6947 1 . LEU 12 12 6947 1 . LYS 13 13 6947 1 . VAL 14 14 6947 1 . THR 15 15 6947 1 . LEU 16 16 6947 1 . PRO 17 17 6947 1 . ARG 18 18 6947 1 . LEU 19 19 6947 1 . LYS 20 20 6947 1 . ILE 21 21 6947 1 . LEU 22 22 6947 1 . GLU 23 23 6947 1 . VAL 24 24 6947 1 . LEU 25 25 6947 1 . GLN 26 26 6947 1 . GLU 27 27 6947 1 . PRO 28 28 6947 1 . ASP 29 29 6947 1 . ASN 30 30 6947 1 . HIS 31 31 6947 1 . HIS 32 32 6947 1 . VAL 33 33 6947 1 . SER 34 34 6947 1 . ALA 35 35 6947 1 . GLU 36 36 6947 1 . ASP 37 37 6947 1 . LEU 38 38 6947 1 . TYR 39 39 6947 1 . LYS 40 40 6947 1 . ARG 41 41 6947 1 . LEU 42 42 6947 1 . ILE 43 43 6947 1 . ASP 44 44 6947 1 . MET 45 45 6947 1 . GLY 46 46 6947 1 . GLU 47 47 6947 1 . GLU 48 48 6947 1 . ILE 49 49 6947 1 . GLY 50 50 6947 1 . LEU 51 51 6947 1 . ALA 52 52 6947 1 . THR 53 53 6947 1 . VAL 54 54 6947 1 . TYR 55 55 6947 1 . ARG 56 56 6947 1 . VAL 57 57 6947 1 . LEU 58 58 6947 1 . ASN 59 59 6947 1 . GLN 60 60 6947 1 . PHE 61 61 6947 1 . ASP 62 62 6947 1 . ASP 63 63 6947 1 . ALA 64 64 6947 1 . GLY 65 65 6947 1 . ILE 66 66 6947 1 . VAL 67 67 6947 1 . THR 68 68 6947 1 . ARG 69 69 6947 1 . HIS 70 70 6947 1 . ASN 71 71 6947 1 . PHE 72 72 6947 1 . GLU 73 73 6947 1 . GLY 74 74 6947 1 . GLY 75 75 6947 1 . LYS 76 76 6947 1 . SER 77 77 6947 1 . VAL 78 78 6947 1 . PHE 79 79 6947 1 . GLU 80 80 6947 1 . LEU 81 81 6947 1 . THR 82 82 6947 1 . GLN 83 83 6947 1 . GLN 84 84 6947 1 . HIS 85 85 6947 1 . HIS 86 86 6947 1 . HIS 87 87 6947 1 . ASP 88 88 6947 1 . HIS 89 89 6947 1 . LEU 90 90 6947 1 . ILE 91 91 6947 1 . CYS 92 92 6947 1 . LEU 93 93 6947 1 . ASP 94 94 6947 1 . CYS 95 95 6947 1 . GLY 96 96 6947 1 . LYS 97 97 6947 1 . VAL 98 98 6947 1 . ILE 99 99 6947 1 . GLU 100 100 6947 1 . PHE 101 101 6947 1 . SER 102 102 6947 1 . ASP 103 103 6947 1 . ASP 104 104 6947 1 . SER 105 105 6947 1 . ILE 106 106 6947 1 . GLU 107 107 6947 1 . ALA 108 108 6947 1 . ARG 109 109 6947 1 . GLN 110 110 6947 1 . ARG 111 111 6947 1 . GLU 112 112 6947 1 . ILE 113 113 6947 1 . ALA 114 114 6947 1 . ALA 115 115 6947 1 . LYS 116 116 6947 1 . HIS 117 117 6947 1 . GLY 118 118 6947 1 . ILE 119 119 6947 1 . ARG 120 120 6947 1 . LEU 121 121 6947 1 . THR 122 122 6947 1 . ASN 123 123 6947 1 . HIS 124 124 6947 1 . SER 125 125 6947 1 . LEU 126 126 6947 1 . TYR 127 127 6947 1 . LEU 128 128 6947 1 . TYR 129 129 6947 1 . GLY 130 130 6947 1 . HIS 131 131 6947 1 . CYS 132 132 6947 1 . ALA 133 133 6947 1 . GLU 134 134 6947 1 . GLY 135 135 6947 1 . ASP 136 136 6947 1 . CYS 137 137 6947 1 . ARG 138 138 6947 1 . GLU 139 139 6947 1 . ASP 140 140 6947 1 . GLU 141 141 6947 1 . HIS 142 142 6947 1 . ALA 143 143 6947 1 . HIS 144 144 6947 1 . GLU 145 145 6947 1 . GLY 146 146 6947 1 . LYS 147 147 6947 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6947 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _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 . ZN . 6947 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 6947 _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 $Fur . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6947 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 6947 _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 $Fur . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET30 . . . . . . 6947 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 6947 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 Thu Jun 2 09:48:05 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 InChI=1/Zn/q+2 InChI InChI 1.02b 6947 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 6947 ZN [Zn++] SMILES CACTVS 3.341 6947 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6947 ZN [Zn+2] SMILES ACDLabs 10.04 6947 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6947 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6947 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6947 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6947 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6947 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6947 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details triple-labeled _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FurD '[U-46% 2H; U-97% 15N; U-13C]' . . 1 $Fur . protein 2.6 . . mM 0.1 . . . 6947 1 2 MOPS . . . . . . buffer 100 . . mM . . . . 6947 1 3 KCl . . . . . . salt 500 . . mM . . . . 6947 1 4 DTT . . . . . . 'reducing agent' 10 . . mM . . . . 6947 1 5 D20 . . . . . . solvent 7 . . % . . . . 6947 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6947 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details N15-labeled _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FurD '[U-97% 15N]' . . 1 $Fur . protein 2.1 . . mM 0.1 . . . 6947 2 2 MOPS . . . . . . buffer 100 . . mM . . . . 6947 2 3 KCl . . . . . . salt 500 . . mM . . . . 6947 2 4 DTT . . . . . . 'reducing agent' 10 . . mM . . . . 6947 2 5 D20 . . . . . . solvent 7 . . % . . . . 6947 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6947 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'double-labeled, H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FurD '[U-97% 15N; U-13C]' . . 1 $Fur . protein 1.5 . . mM 0.1 . . . 6947 3 2 MOPS . . . . . . buffer 100 . . mM . . . . 6947 3 3 KCl . . . . . . salt 500 . . mM . . . . 6947 3 4 DTT . . . . . . 'reducing agent' 10 . . mM . . . . 6947 3 5 D20 . . . . . . solvent 7 . . % . . . . 6947 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6947 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'double-labled D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FurD '[U-97% 15N; U-13C]' . . 1 $Fur . protein 1.5 . . mM 0.1 . . . 6947 4 2 MOPS . . . . . . buffer 100 . . mM . . . . 6947 4 3 KCl . . . . . . salt 500 . . mM . . . . 6947 4 4 DTT . . . . . . 'reducing agent' 10 . . mM . . . . 6947 4 5 D20 . . . . . . solvent 100 . . % . . . . 6947 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6947 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'MOPS 100 mM, KCl 500 mM, DTT 10 mM, pH 7.5' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.05 pH 6947 1 temperature 298 0.5 K 6947 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix_2000 _Software.Sf_category software _Software.Sf_framecode Felix_2000 _Software.Entry_ID 6947 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Accelrys . . 6947 1 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 6947 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6947 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6947 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6947 1 2 1H15N13C_MQ_COHNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6947 1 3 1H15N13C_MQ_HNCOCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6947 1 4 1H15N13C_HNCACO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6947 1 5 1H15N13C_HN(CA)CB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 6947 1 6 1H15N13C_HN(COCA)CB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6947 1 7 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6947 1 8 HCCH-TOCSY no . . . . . . . . . . 4 $sample_4 . . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 6947 1 9 (H)CCH-TOCSY no . . . . . . . . . . 4 $sample_4 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6947 1 10 (H)CCONH-TOCSY no . . . . . . . . . . 3 $sample_3 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6947 1 11 H(C)CONH-TOCSY no . . . . . . . . . . 3 $sample_3 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6947 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 6947 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6947 1 H 1 H2O protons . . . . ppm 4.77 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6947 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6947 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_dimer_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode dimer_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6947 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _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 1H15N_HSQC 1 $sample_1 isotropic 6947 1 2 1H15N13C_MQ_HNCOCA 1 $sample_1 isotropic 6947 1 3 1H15N13C_HNCACO 1 $sample_1 isotropic 6947 1 4 1H15N13C_HN(CA)CB 1 $sample_1 isotropic 6947 1 5 1H15N13C_HN(COCA)CB 1 $sample_1 isotropic 6947 1 6 HNCO 1 $sample_1 isotropic 6947 1 7 1H15N13C_MQ_COHNCA 1 $sample_1 isotropic 6947 1 8 HCCH-TOCSY 4 $sample_4 isotropic 6947 1 9 (H)CCH-TOCSY 4 $sample_4 isotropic 6947 1 10 (H)CCONH-TOCSY 3 $sample_3 isotropic 6947 1 11 H(C)CONH-TOCSY 3 $sample_3 isotropic 6947 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 1 $Felix_2000 . . 6947 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 4 4 ASN C C 13 175.86 0.5 . 1 . . . . 4 ASN C . 6947 1 2 . 1 1 4 4 ASN CA C 13 53.24 0.5 . 1 . . . . 4 ASN CA . 6947 1 3 . 1 1 4 4 ASN CB C 13 38.21 0.5 . 1 . . . . 4 ASN CB . 6947 1 4 . 1 1 5 5 THR H H 1 8.09 0.05 . 1 . . . . 5 THR H . 6947 1 5 . 1 1 5 5 THR HA H 1 4.24 0.05 . 1 . . . . 5 THR HA . 6947 1 6 . 1 1 5 5 THR HB H 1 4.22 0.05 . 1 . . . . 5 THR HB . 6947 1 7 . 1 1 5 5 THR HG21 H 1 1.21 0.05 . 1 . . . . 5 THR HG2 . 6947 1 8 . 1 1 5 5 THR HG22 H 1 1.21 0.05 . 1 . . . . 5 THR HG2 . 6947 1 9 . 1 1 5 5 THR HG23 H 1 1.21 0.05 . 1 . . . . 5 THR HG2 . 6947 1 10 . 1 1 5 5 THR C C 13 174.62 0.5 . 1 . . . . 5 THR C . 6947 1 11 . 1 1 5 5 THR CA C 13 62.10 0.5 . 1 . . . . 5 THR CA . 6947 1 12 . 1 1 5 5 THR CB C 13 68.87 0.5 . 1 . . . . 5 THR CB . 6947 1 13 . 1 1 5 5 THR CG2 C 13 21.13 0.5 . 1 . . . . 5 THR CG2 . 6947 1 14 . 1 1 5 5 THR N N 15 114.56 0.1 . 1 . . . . 5 THR N . 6947 1 15 . 1 1 6 6 ALA H H 1 8.20 0.05 . 1 . . . . 6 ALA H . 6947 1 16 . 1 1 6 6 ALA HA H 1 4.29 0.05 . 1 . . . . 6 ALA HA . 6947 1 17 . 1 1 6 6 ALA HB1 H 1 1.39 0.05 . 1 . . . . 6 ALA HB . 6947 1 18 . 1 1 6 6 ALA HB2 H 1 1.39 0.05 . 1 . . . . 6 ALA HB . 6947 1 19 . 1 1 6 6 ALA HB3 H 1 1.39 0.05 . 1 . . . . 6 ALA HB . 6947 1 20 . 1 1 6 6 ALA C C 13 177.96 0.5 . 1 . . . . 6 ALA C . 6947 1 21 . 1 1 6 6 ALA CA C 13 52.36 0.5 . 1 . . . . 6 ALA CA . 6947 1 22 . 1 1 6 6 ALA CB C 13 18.52 0.5 . 1 . . . . 6 ALA CB . 6947 1 23 . 1 1 6 6 ALA N N 15 125.56 0.1 . 1 . . . . 6 ALA N . 6947 1 24 . 1 1 7 7 LEU H H 1 7.98 0.05 . 1 . . . . 7 LEU H . 6947 1 25 . 1 1 7 7 LEU HA H 1 4.28 0.05 . 1 . . . . 7 LEU HA . 6947 1 26 . 1 1 7 7 LEU HG H 1 1.60 0.05 . 1 . . . . 7 LEU HG . 6947 1 27 . 1 1 7 7 LEU HD11 H 1 0.83 0.05 . 2 . . . . 7 LEU HD1 . 6947 1 28 . 1 1 7 7 LEU HD12 H 1 0.83 0.05 . 2 . . . . 7 LEU HD1 . 6947 1 29 . 1 1 7 7 LEU HD13 H 1 0.83 0.05 . 2 . . . . 7 LEU HD1 . 6947 1 30 . 1 1 7 7 LEU HD21 H 1 0.89 0.05 . 2 . . . . 7 LEU HD2 . 6947 1 31 . 1 1 7 7 LEU HD22 H 1 0.89 0.05 . 2 . . . . 7 LEU HD2 . 6947 1 32 . 1 1 7 7 LEU HD23 H 1 0.89 0.05 . 2 . . . . 7 LEU HD2 . 6947 1 33 . 1 1 7 7 LEU C C 13 177.55 0.5 . 1 . . . . 7 LEU C . 6947 1 34 . 1 1 7 7 LEU CA C 13 54.85 0.5 . 1 . . . . 7 LEU CA . 6947 1 35 . 1 1 7 7 LEU CB C 13 41.32 0.5 . 1 . . . . 7 LEU CB . 6947 1 36 . 1 1 7 7 LEU CG C 13 26.70 0.5 . 1 . . . . 7 LEU CG . 6947 1 37 . 1 1 7 7 LEU CD1 C 13 23.03 0.5 . 2 . . . . 7 LEU CD1 . 6947 1 38 . 1 1 7 7 LEU CD2 C 13 24.30 0.5 . 2 . . . . 7 LEU CD2 . 6947 1 39 . 1 1 7 7 LEU N N 15 120.45 0.1 . 1 . . . . 7 LEU N . 6947 1 40 . 1 1 8 8 LYS H H 1 8.14 0.05 . 1 . . . . 8 LYS H . 6947 1 41 . 1 1 8 8 LYS HA H 1 4.29 0.05 . 1 . . . . 8 LYS HA . 6947 1 42 . 1 1 8 8 LYS HB2 H 1 1.77 0.05 . 2 . . . . 8 LYS HB2 . 6947 1 43 . 1 1 8 8 LYS HB3 H 1 1.82 0.05 . 2 . . . . 8 LYS HB3 . 6947 1 44 . 1 1 8 8 LYS HG2 H 1 1.46 0.05 . 2 . . . . 8 LYS HG2 . 6947 1 45 . 1 1 8 8 LYS HG3 H 1 1.39 0.05 . 2 . . . . 8 LYS HG3 . 6947 1 46 . 1 1 8 8 LYS HE2 H 1 2.99 0.05 . 2 . . . . 8 LYS HE2 . 6947 1 47 . 1 1 8 8 LYS C C 13 176.77 0.5 . 1 . . . . 8 LYS C . 6947 1 48 . 1 1 8 8 LYS CA C 13 55.84 0.5 . 1 . . . . 8 LYS CA . 6947 1 49 . 1 1 8 8 LYS CB C 13 32.21 0.5 . 1 . . . . 8 LYS CB . 6947 1 50 . 1 1 8 8 LYS CG C 13 24.47 0.5 . 1 . . . . 8 LYS CG . 6947 1 51 . 1 1 8 8 LYS CD C 13 28.59 0.5 . 1 . . . . 8 LYS CD . 6947 1 52 . 1 1 8 8 LYS CE C 13 41.60 0.5 . 1 . . . . 8 LYS CE . 6947 1 53 . 1 1 8 8 LYS N N 15 121.82 0.1 . 1 . . . . 8 LYS N . 6947 1 54 . 1 1 9 9 LYS H H 1 8.24 0.05 . 1 . . . . 9 LYS H . 6947 1 55 . 1 1 9 9 LYS HA H 1 4.29 0.05 . 1 . . . . 9 LYS HA . 6947 1 56 . 1 1 9 9 LYS HB2 H 1 1.82 0.05 . 2 . . . . 9 LYS HB2 . 6947 1 57 . 1 1 9 9 LYS HG2 H 1 1.41 0.05 . 2 . . . . 9 LYS HG2 . 6947 1 58 . 1 1 9 9 LYS HG3 H 1 1.45 0.05 . 2 . . . . 9 LYS HG3 . 6947 1 59 . 1 1 9 9 LYS HD2 H 1 1.75 0.05 . 2 . . . . 9 LYS HD2 . 6947 1 60 . 1 1 9 9 LYS HE2 H 1 2.98 0.05 . 2 . . . . 9 LYS HE2 . 6947 1 61 . 1 1 9 9 LYS C C 13 176.41 0.5 . 1 . . . . 9 LYS C . 6947 1 62 . 1 1 9 9 LYS CA C 13 55.89 0.5 . 1 . . . . 9 LYS CA . 6947 1 63 . 1 1 9 9 LYS CB C 13 32.26 0.5 . 1 . . . . 9 LYS CB . 6947 1 64 . 1 1 9 9 LYS CG C 13 24.24 0.5 . 1 . . . . 9 LYS CG . 6947 1 65 . 1 1 9 9 LYS CD C 13 28.62 0.5 . 1 . . . . 9 LYS CD . 6947 1 66 . 1 1 9 9 LYS CE C 13 41.70 0.5 . 1 . . . . 9 LYS CE . 6947 1 67 . 1 1 9 9 LYS N N 15 122.31 0.1 . 1 . . . . 9 LYS N . 6947 1 68 . 1 1 10 10 ALA H H 1 8.25 0.05 . 1 . . . . 10 ALA H . 6947 1 69 . 1 1 10 10 ALA HA H 1 4.34 0.05 . 1 . . . . 10 ALA HA . 6947 1 70 . 1 1 10 10 ALA HB1 H 1 1.39 0.05 . 1 . . . . 10 ALA HB . 6947 1 71 . 1 1 10 10 ALA HB2 H 1 1.39 0.05 . 1 . . . . 10 ALA HB . 6947 1 72 . 1 1 10 10 ALA HB3 H 1 1.39 0.05 . 1 . . . . 10 ALA HB . 6947 1 73 . 1 1 10 10 ALA C C 13 178.16 0.5 . 1 . . . . 10 ALA C . 6947 1 74 . 1 1 10 10 ALA CA C 13 52.07 0.5 . 1 . . . . 10 ALA CA . 6947 1 75 . 1 1 10 10 ALA CB C 13 18.82 0.5 . 1 . . . . 10 ALA CB . 6947 1 76 . 1 1 10 10 ALA N N 15 124.93 0.1 . 1 . . . . 10 ALA N . 6947 1 77 . 1 1 11 11 GLY H H 1 8.30 0.05 . 1 . . . . 11 GLY H . 6947 1 78 . 1 1 11 11 GLY HA2 H 1 3.94 0.05 . 2 . . . . 11 GLY HA2 . 6947 1 79 . 1 1 11 11 GLY C C 13 174.05 0.5 . 1 . . . . 11 GLY C . 6947 1 80 . 1 1 11 11 GLY CA C 13 44.95 0.5 . 1 . . . . 11 GLY CA . 6947 1 81 . 1 1 11 11 GLY N N 15 107.82 0.1 . 1 . . . . 11 GLY N . 6947 1 82 . 1 1 12 12 LEU H H 1 8.01 0.05 . 1 . . . . 12 LEU H . 6947 1 83 . 1 1 12 12 LEU HA H 1 4.34 0.05 . 1 . . . . 12 LEU HA . 6947 1 84 . 1 1 12 12 LEU HB2 H 1 1.59 0.05 . 2 . . . . 12 LEU HB2 . 6947 1 85 . 1 1 12 12 LEU HG H 1 1.60 0.05 . 1 . . . . 12 LEU HG . 6947 1 86 . 1 1 12 12 LEU HD11 H 1 0.87 0.05 . 2 . . . . 12 LEU HD1 . 6947 1 87 . 1 1 12 12 LEU HD12 H 1 0.87 0.05 . 2 . . . . 12 LEU HD1 . 6947 1 88 . 1 1 12 12 LEU HD13 H 1 0.87 0.05 . 2 . . . . 12 LEU HD1 . 6947 1 89 . 1 1 12 12 LEU HD21 H 1 0.93 0.05 . 2 . . . . 12 LEU HD2 . 6947 1 90 . 1 1 12 12 LEU HD22 H 1 0.93 0.05 . 2 . . . . 12 LEU HD2 . 6947 1 91 . 1 1 12 12 LEU HD23 H 1 0.93 0.05 . 2 . . . . 12 LEU HD2 . 6947 1 92 . 1 1 12 12 LEU C C 13 177.26 0.5 . 1 . . . . 12 LEU C . 6947 1 93 . 1 1 12 12 LEU CA C 13 54.63 0.5 . 1 . . . . 12 LEU CA . 6947 1 94 . 1 1 12 12 LEU CB C 13 42.10 0.5 . 1 . . . . 12 LEU CB . 6947 1 95 . 1 1 12 12 LEU CG C 13 26.51 0.5 . 1 . . . . 12 LEU CG . 6947 1 96 . 1 1 12 12 LEU CD1 C 13 23.26 0.5 . 2 . . . . 12 LEU CD1 . 6947 1 97 . 1 1 12 12 LEU CD2 C 13 24.46 0.5 . 2 . . . . 12 LEU CD2 . 6947 1 98 . 1 1 12 12 LEU N N 15 121.56 0.1 . 1 . . . . 12 LEU N . 6947 1 99 . 1 1 13 13 LYS H H 1 8.33 0.05 . 1 . . . . 13 LYS H . 6947 1 100 . 1 1 13 13 LYS HA H 1 4.36 0.05 . 1 . . . . 13 LYS HA . 6947 1 101 . 1 1 13 13 LYS HB2 H 1 1.80 0.05 . 1 . . . . 13 LYS HB2 . 6947 1 102 . 1 1 13 13 LYS C C 13 176.33 0.5 . 1 . . . . 13 LYS C . 6947 1 103 . 1 1 13 13 LYS CA C 13 55.57 0.5 . 1 . . . . 13 LYS CA . 6947 1 104 . 1 1 13 13 LYS CB C 13 32.27 0.5 . 1 . . . . 13 LYS CB . 6947 1 105 . 1 1 13 13 LYS CG C 13 24.28 0.5 . 1 . . . . 13 LYS CG . 6947 1 106 . 1 1 13 13 LYS CD C 13 28.46 0.5 . 1 . . . . 13 LYS CD . 6947 1 107 . 1 1 13 13 LYS N N 15 122.82 0.1 . 1 . . . . 13 LYS N . 6947 1 108 . 1 1 14 14 VAL H H 1 8.18 0.05 . 1 . . . . 14 VAL H . 6947 1 109 . 1 1 14 14 VAL HA H 1 4.20 0.05 . 1 . . . . 14 VAL HA . 6947 1 110 . 1 1 14 14 VAL HB H 1 2.03 0.05 . 1 . . . . 14 VAL HB . 6947 1 111 . 1 1 14 14 VAL HG11 H 1 0.92 0.05 . 2 . . . . 14 VAL HG1 . 6947 1 112 . 1 1 14 14 VAL HG12 H 1 0.92 0.05 . 2 . . . . 14 VAL HG1 . 6947 1 113 . 1 1 14 14 VAL HG13 H 1 0.92 0.05 . 2 . . . . 14 VAL HG1 . 6947 1 114 . 1 1 14 14 VAL HG21 H 1 0.89 0.05 . 2 . . . . 14 VAL HG2 . 6947 1 115 . 1 1 14 14 VAL HG22 H 1 0.89 0.05 . 2 . . . . 14 VAL HG2 . 6947 1 116 . 1 1 14 14 VAL HG23 H 1 0.89 0.05 . 2 . . . . 14 VAL HG2 . 6947 1 117 . 1 1 14 14 VAL C C 13 176.19 0.5 . 1 . . . . 14 VAL C . 6947 1 118 . 1 1 14 14 VAL CA C 13 61.38 0.5 . 1 . . . . 14 VAL CA . 6947 1 119 . 1 1 14 14 VAL CB C 13 32.54 0.5 . 1 . . . . 14 VAL CB . 6947 1 120 . 1 1 14 14 VAL CG1 C 13 20.38 0.5 . 2 . . . . 14 VAL CG1 . 6947 1 121 . 1 1 14 14 VAL N N 15 122.13 0.1 . 1 . . . . 14 VAL N . 6947 1 122 . 1 1 15 15 THR H H 1 8.30 0.05 . 1 . . . . 15 THR H . 6947 1 123 . 1 1 15 15 THR HA H 1 4.44 0.05 . 1 . . . . 15 THR HA . 6947 1 124 . 1 1 15 15 THR HB H 1 4.14 0.05 . 1 . . . . 15 THR HB . 6947 1 125 . 1 1 15 15 THR HG21 H 1 1.24 0.05 . 1 . . . . 15 THR HG2 . 6947 1 126 . 1 1 15 15 THR HG22 H 1 1.24 0.05 . 1 . . . . 15 THR HG2 . 6947 1 127 . 1 1 15 15 THR HG23 H 1 1.24 0.05 . 1 . . . . 15 THR HG2 . 6947 1 128 . 1 1 15 15 THR C C 13 174.28 0.5 . 1 . . . . 15 THR C . 6947 1 129 . 1 1 15 15 THR CA C 13 60.90 0.5 . 1 . . . . 15 THR CA . 6947 1 130 . 1 1 15 15 THR CB C 13 69.28 0.5 . 1 . . . . 15 THR CB . 6947 1 131 . 1 1 15 15 THR CG2 C 13 21.20 0.5 . 1 . . . . 15 THR CG2 . 6947 1 132 . 1 1 15 15 THR N N 15 120.22 0.1 . 1 . . . . 15 THR N . 6947 1 133 . 1 1 16 16 LEU H H 1 8.39 0.05 . 1 . . . . 16 LEU H . 6947 1 134 . 1 1 16 16 LEU C C 13 176.73 0.5 . 1 . . . . 16 LEU C . 6947 1 135 . 1 1 16 16 LEU CA C 13 51.95 0.5 . 1 . . . . 16 LEU CA . 6947 1 136 . 1 1 16 16 LEU N N 15 125.16 0.1 . 1 . . . . 16 LEU N . 6947 1 137 . 1 1 17 17 PRO C C 13 175.97 0.5 . 1 . . . . 17 PRO C . 6947 1 138 . 1 1 17 17 PRO CA C 13 62.77 0.5 . 1 . . . . 17 PRO CA . 6947 1 139 . 1 1 17 17 PRO CB C 13 27.33 0.5 . 1 . . . . 17 PRO CB . 6947 1 140 . 1 1 18 18 ARG H H 1 8.37 0.05 . 1 . . . . 18 ARG H . 6947 1 141 . 1 1 18 18 ARG C C 13 177.65 0.5 . 1 . . . . 18 ARG C . 6947 1 142 . 1 1 18 18 ARG CA C 13 59.92 0.5 . 1 . . . . 18 ARG CA . 6947 1 143 . 1 1 18 18 ARG CB C 13 29.99 0.5 . 1 . . . . 18 ARG CB . 6947 1 144 . 1 1 18 18 ARG N N 15 120.32 0.1 . 1 . . . . 18 ARG N . 6947 1 145 . 1 1 19 19 LEU H H 1 8.17 0.05 . 1 . . . . 19 LEU H . 6947 1 146 . 1 1 19 19 LEU HA H 1 4.05 0.05 . 1 . . . . 19 LEU HA . 6947 1 147 . 1 1 19 19 LEU HB2 H 1 1.72 0.05 . 2 . . . . 19 LEU HB2 . 6947 1 148 . 1 1 19 19 LEU HG H 1 1.73 0.05 . 1 . . . . 19 LEU HG . 6947 1 149 . 1 1 19 19 LEU HD11 H 1 0.70 0.05 . 2 . . . . 19 LEU HD1 . 6947 1 150 . 1 1 19 19 LEU HD12 H 1 0.70 0.05 . 2 . . . . 19 LEU HD1 . 6947 1 151 . 1 1 19 19 LEU HD13 H 1 0.70 0.05 . 2 . . . . 19 LEU HD1 . 6947 1 152 . 1 1 19 19 LEU HD21 H 1 0.77 0.05 . 2 . . . . 19 LEU HD2 . 6947 1 153 . 1 1 19 19 LEU HD22 H 1 0.77 0.05 . 2 . . . . 19 LEU HD2 . 6947 1 154 . 1 1 19 19 LEU HD23 H 1 0.77 0.05 . 2 . . . . 19 LEU HD2 . 6947 1 155 . 1 1 19 19 LEU C C 13 179.73 0.5 . 1 . . . . 19 LEU C . 6947 1 156 . 1 1 19 19 LEU CA C 13 57.80 0.5 . 1 . . . . 19 LEU CA . 6947 1 157 . 1 1 19 19 LEU CB C 13 39.98 0.5 . 1 . . . . 19 LEU CB . 6947 1 158 . 1 1 19 19 LEU CG C 13 27.95 0.5 . 1 . . . . 19 LEU CG . 6947 1 159 . 1 1 19 19 LEU CD1 C 13 23.02 0.5 . 2 . . . . 19 LEU CD1 . 6947 1 160 . 1 1 19 19 LEU CD2 C 13 23.35 0.5 . 2 . . . . 19 LEU CD2 . 6947 1 161 . 1 1 19 19 LEU N N 15 117.24 0.1 . 1 . . . . 19 LEU N . 6947 1 162 . 1 1 20 20 LYS H H 1 7.86 0.05 . 1 . . . . 20 LYS H . 6947 1 163 . 1 1 20 20 LYS C C 13 178.20 0.5 . 1 . . . . 20 LYS C . 6947 1 164 . 1 1 20 20 LYS CA C 13 57.14 0.5 . 1 . . . . 20 LYS CA . 6947 1 165 . 1 1 20 20 LYS CB C 13 30.80 0.5 . 1 . . . . 20 LYS CB . 6947 1 166 . 1 1 20 20 LYS N N 15 119.32 0.1 . 1 . . . . 20 LYS N . 6947 1 167 . 1 1 21 21 ILE H H 1 7.44 0.05 . 1 . . . . 21 ILE H . 6947 1 168 . 1 1 21 21 ILE HA H 1 3.58 0.05 . 1 . . . . 21 ILE HA . 6947 1 169 . 1 1 21 21 ILE HB H 1 1.85 0.05 . 1 . . . . 21 ILE HB . 6947 1 170 . 1 1 21 21 ILE HG12 H 1 1.02 0.05 . 2 . . . . 21 ILE HG12 . 6947 1 171 . 1 1 21 21 ILE HG13 H 1 1.62 0.05 . 2 . . . . 21 ILE HG13 . 6947 1 172 . 1 1 21 21 ILE HG21 H 1 0.67 0.05 . 1 . . . . 21 ILE HG2 . 6947 1 173 . 1 1 21 21 ILE HG22 H 1 0.67 0.05 . 1 . . . . 21 ILE HG2 . 6947 1 174 . 1 1 21 21 ILE HG23 H 1 0.67 0.05 . 1 . . . . 21 ILE HG2 . 6947 1 175 . 1 1 21 21 ILE HD11 H 1 0.61 0.05 . 1 . . . . 21 ILE HD1 . 6947 1 176 . 1 1 21 21 ILE HD12 H 1 0.61 0.05 . 1 . . . . 21 ILE HD1 . 6947 1 177 . 1 1 21 21 ILE HD13 H 1 0.61 0.05 . 1 . . . . 21 ILE HD1 . 6947 1 178 . 1 1 21 21 ILE C C 13 177.25 0.5 . 1 . . . . 21 ILE C . 6947 1 179 . 1 1 21 21 ILE CA C 13 64.91 0.5 . 1 . . . . 21 ILE CA . 6947 1 180 . 1 1 21 21 ILE CB C 13 36.39 0.5 . 1 . . . . 21 ILE CB . 6947 1 181 . 1 1 21 21 ILE CG1 C 13 30.57 0.5 . 1 . . . . 21 ILE CG1 . 6947 1 182 . 1 1 21 21 ILE CG2 C 13 16.60 0.5 . 1 . . . . 21 ILE CG2 . 6947 1 183 . 1 1 21 21 ILE CD1 C 13 13.40 0.5 . 1 . . . . 21 ILE CD1 . 6947 1 184 . 1 1 21 21 ILE N N 15 117.02 0.1 . 1 . . . . 21 ILE N . 6947 1 185 . 1 1 22 22 LEU H H 1 7.99 0.05 . 1 . . . . 22 LEU H . 6947 1 186 . 1 1 22 22 LEU HA H 1 3.95 0.05 . 1 . . . . 22 LEU HA . 6947 1 187 . 1 1 22 22 LEU HB2 H 1 1.62 0.05 . 2 . . . . 22 LEU HB2 . 6947 1 188 . 1 1 22 22 LEU HB3 H 1 1.81 0.05 . 2 . . . . 22 LEU HB3 . 6947 1 189 . 1 1 22 22 LEU HG H 1 1.67 0.05 . 1 . . . . 22 LEU HG . 6947 1 190 . 1 1 22 22 LEU HD11 H 1 0.58 0.05 . 2 . . . . 22 LEU HD1 . 6947 1 191 . 1 1 22 22 LEU HD12 H 1 0.58 0.05 . 2 . . . . 22 LEU HD1 . 6947 1 192 . 1 1 22 22 LEU HD13 H 1 0.58 0.05 . 2 . . . . 22 LEU HD1 . 6947 1 193 . 1 1 22 22 LEU HD21 H 1 0.71 0.05 . 2 . . . . 22 LEU HD2 . 6947 1 194 . 1 1 22 22 LEU HD22 H 1 0.71 0.05 . 2 . . . . 22 LEU HD2 . 6947 1 195 . 1 1 22 22 LEU HD23 H 1 0.71 0.05 . 2 . . . . 22 LEU HD2 . 6947 1 196 . 1 1 22 22 LEU C C 13 178.26 0.5 . 1 . . . . 22 LEU C . 6947 1 197 . 1 1 22 22 LEU CA C 13 57.94 0.5 . 1 . . . . 22 LEU CA . 6947 1 198 . 1 1 22 22 LEU CB C 13 41.30 0.5 . 1 . . . . 22 LEU CB . 6947 1 199 . 1 1 22 22 LEU CG C 13 26.51 0.5 . 1 . . . . 22 LEU CG . 6947 1 200 . 1 1 22 22 LEU CD1 C 13 24.03 0.5 . 2 . . . . 22 LEU CD1 . 6947 1 201 . 1 1 22 22 LEU CD2 C 13 24.44 0.5 . 2 . . . . 22 LEU CD2 . 6947 1 202 . 1 1 22 22 LEU N N 15 119.55 0.1 . 1 . . . . 22 LEU N . 6947 1 203 . 1 1 23 23 GLU H H 1 8.07 0.05 . 1 . . . . 23 GLU H . 6947 1 204 . 1 1 23 23 GLU HA H 1 3.93 0.05 . 1 . . . . 23 GLU HA . 6947 1 205 . 1 1 23 23 GLU HB2 H 1 2.19 0.05 . 2 . . . . 23 GLU HB2 . 6947 1 206 . 1 1 23 23 GLU HG2 H 1 2.11 0.05 . 2 . . . . 23 GLU HG2 . 6947 1 207 . 1 1 23 23 GLU HG3 H 1 2.42 0.05 . 2 . . . . 23 GLU HG3 . 6947 1 208 . 1 1 23 23 GLU C C 13 179.98 0.5 . 1 . . . . 23 GLU C . 6947 1 209 . 1 1 23 23 GLU CA C 13 59.00 0.5 . 1 . . . . 23 GLU CA . 6947 1 210 . 1 1 23 23 GLU CB C 13 28.88 0.5 . 1 . . . . 23 GLU CB . 6947 1 211 . 1 1 23 23 GLU CG C 13 35.95 0.5 . 1 . . . . 23 GLU CG . 6947 1 212 . 1 1 23 23 GLU N N 15 117.70 0.1 . 1 . . . . 23 GLU N . 6947 1 213 . 1 1 24 24 VAL H H 1 7.58 0.05 . 1 . . . . 24 VAL H . 6947 1 214 . 1 1 24 24 VAL HA H 1 3.78 0.05 . 1 . . . . 24 VAL HA . 6947 1 215 . 1 1 24 24 VAL HB H 1 2.04 0.05 . 1 . . . . 24 VAL HB . 6947 1 216 . 1 1 24 24 VAL HG11 H 1 1.02 0.05 . 2 . . . . 24 VAL HG1 . 6947 1 217 . 1 1 24 24 VAL HG12 H 1 1.02 0.05 . 2 . . . . 24 VAL HG1 . 6947 1 218 . 1 1 24 24 VAL HG13 H 1 1.02 0.05 . 2 . . . . 24 VAL HG1 . 6947 1 219 . 1 1 24 24 VAL HG21 H 1 0.90 0.05 . 2 . . . . 24 VAL HG2 . 6947 1 220 . 1 1 24 24 VAL HG22 H 1 0.90 0.05 . 2 . . . . 24 VAL HG2 . 6947 1 221 . 1 1 24 24 VAL HG23 H 1 0.90 0.05 . 2 . . . . 24 VAL HG2 . 6947 1 222 . 1 1 24 24 VAL C C 13 179.20 0.5 . 1 . . . . 24 VAL C . 6947 1 223 . 1 1 24 24 VAL CA C 13 65.52 0.5 . 1 . . . . 24 VAL CA . 6947 1 224 . 1 1 24 24 VAL CB C 13 30.93 0.5 . 1 . . . . 24 VAL CB . 6947 1 225 . 1 1 24 24 VAL CG1 C 13 22.45 0.5 . 2 . . . . 24 VAL CG1 . 6947 1 226 . 1 1 24 24 VAL CG2 C 13 22.24 0.5 . 2 . . . . 24 VAL CG2 . 6947 1 227 . 1 1 24 24 VAL N N 15 118.24 0.1 . 1 . . . . 24 VAL N . 6947 1 228 . 1 1 25 25 LEU H H 1 7.94 0.05 . 1 . . . . 25 LEU H . 6947 1 229 . 1 1 25 25 LEU C C 13 177.09 0.5 . 1 . . . . 25 LEU C . 6947 1 230 . 1 1 25 25 LEU CA C 13 56.68 0.5 . 1 . . . . 25 LEU CA . 6947 1 231 . 1 1 25 25 LEU CB C 13 42.07 0.5 . 1 . . . . 25 LEU CB . 6947 1 232 . 1 1 25 25 LEU N N 15 119.31 0.1 . 1 . . . . 25 LEU N . 6947 1 233 . 1 1 26 26 GLN H H 1 7.53 0.05 . 1 . . . . 26 GLN H . 6947 1 234 . 1 1 26 26 GLN HA H 1 4.20 0.05 . 1 . . . . 26 GLN HA . 6947 1 235 . 1 1 26 26 GLN HB2 H 1 2.10 0.05 . 2 . . . . 26 GLN HB2 . 6947 1 236 . 1 1 26 26 GLN HB3 H 1 2.56 0.05 . 2 . . . . 26 GLN HB3 . 6947 1 237 . 1 1 26 26 GLN HG2 H 1 2.31 0.05 . 2 . . . . 26 GLN HG2 . 6947 1 238 . 1 1 26 26 GLN HG3 H 1 2.56 0.05 . 2 . . . . 26 GLN HG3 . 6947 1 239 . 1 1 26 26 GLN C C 13 176.65 0.5 . 1 . . . . 26 GLN C . 6947 1 240 . 1 1 26 26 GLN CA C 13 55.51 0.5 . 1 . . . . 26 GLN CA . 6947 1 241 . 1 1 26 26 GLN CB C 13 28.91 0.5 . 1 . . . . 26 GLN CB . 6947 1 242 . 1 1 26 26 GLN CG C 13 34.44 0.5 . 1 . . . . 26 GLN CG . 6947 1 243 . 1 1 26 26 GLN N N 15 114.44 0.1 . 1 . . . . 26 GLN N . 6947 1 244 . 1 1 27 27 GLU H H 1 7.50 0.05 . 1 . . . . 27 GLU H . 6947 1 245 . 1 1 27 27 GLU C C 13 176.92 0.5 . 1 . . . . 27 GLU C . 6947 1 246 . 1 1 27 27 GLU CA C 13 54.83 0.5 . 1 . . . . 27 GLU CA . 6947 1 247 . 1 1 27 27 GLU N N 15 122.74 0.1 . 1 . . . . 27 GLU N . 6947 1 248 . 1 1 28 28 PRO C C 13 177.83 0.5 . 1 . . . . 28 PRO C . 6947 1 249 . 1 1 28 28 PRO CA C 13 64.49 0.5 . 1 . . . . 28 PRO CA . 6947 1 250 . 1 1 28 28 PRO CB C 13 31.22 0.5 . 1 . . . . 28 PRO CB . 6947 1 251 . 1 1 28 28 PRO CG C 13 26.90 0.5 . 1 . . . . 28 PRO CG . 6947 1 252 . 1 1 29 29 ASP H H 1 8.48 0.05 . 1 . . . . 29 ASP H . 6947 1 253 . 1 1 29 29 ASP HA H 1 4.52 0.05 . 1 . . . . 29 ASP HA . 6947 1 254 . 1 1 29 29 ASP HB2 H 1 2.57 0.05 . 2 . . . . 29 ASP HB2 . 6947 1 255 . 1 1 29 29 ASP HB3 H 1 2.72 0.05 . 2 . . . . 29 ASP HB3 . 6947 1 256 . 1 1 29 29 ASP C C 13 176.14 0.5 . 1 . . . . 29 ASP C . 6947 1 257 . 1 1 29 29 ASP CA C 13 54.72 0.5 . 1 . . . . 29 ASP CA . 6947 1 258 . 1 1 29 29 ASP CB C 13 39.75 0.5 . 1 . . . . 29 ASP CB . 6947 1 259 . 1 1 29 29 ASP N N 15 114.62 0.1 . 1 . . . . 29 ASP N . 6947 1 260 . 1 1 30 30 ASN H H 1 7.80 0.05 . 1 . . . . 30 ASN H . 6947 1 261 . 1 1 30 30 ASN HA H 1 4.87 0.05 . 1 . . . . 30 ASN HA . 6947 1 262 . 1 1 30 30 ASN HB2 H 1 2.79 0.05 . 2 . . . . 30 ASN HB2 . 6947 1 263 . 1 1 30 30 ASN C C 13 173.25 0.5 . 1 . . . . 30 ASN C . 6947 1 264 . 1 1 30 30 ASN CA C 13 51.78 0.5 . 1 . . . . 30 ASN CA . 6947 1 265 . 1 1 30 30 ASN CB C 13 38.13 0.5 . 1 . . . . 30 ASN CB . 6947 1 266 . 1 1 30 30 ASN N N 15 117.89 0.1 . 1 . . . . 30 ASN N . 6947 1 267 . 1 1 31 31 HIS H H 1 7.49 0.05 . 1 . . . . 31 HIS H . 6947 1 268 . 1 1 31 31 HIS HA H 1 4.54 0.05 . 1 . . . . 31 HIS HA . 6947 1 269 . 1 1 31 31 HIS HB2 H 1 3.10 0.05 . 2 . . . . 31 HIS HB2 . 6947 1 270 . 1 1 31 31 HIS C C 13 174.92 0.5 . 1 . . . . 31 HIS C . 6947 1 271 . 1 1 31 31 HIS CA C 13 56.88 0.5 . 1 . . . . 31 HIS CA . 6947 1 272 . 1 1 31 31 HIS CB C 13 29.38 0.5 . 1 . . . . 31 HIS CB . 6947 1 273 . 1 1 31 31 HIS N N 15 117.57 0.1 . 1 . . . . 31 HIS N . 6947 1 274 . 1 1 32 32 HIS H H 1 7.75 0.05 . 1 . . . . 32 HIS H . 6947 1 275 . 1 1 32 32 HIS HA H 1 4.95 0.05 . 1 . . . . 32 HIS HA . 6947 1 276 . 1 1 32 32 HIS HB2 H 1 2.76 0.05 . 2 . . . . 32 HIS HB2 . 6947 1 277 . 1 1 32 32 HIS HB3 H 1 2.91 0.05 . 2 . . . . 32 HIS HB3 . 6947 1 278 . 1 1 32 32 HIS C C 13 175.17 0.5 . 1 . . . . 32 HIS C . 6947 1 279 . 1 1 32 32 HIS CA C 13 54.33 0.5 . 1 . . . . 32 HIS CA . 6947 1 280 . 1 1 32 32 HIS CB C 13 30.97 0.5 . 1 . . . . 32 HIS CB . 6947 1 281 . 1 1 32 32 HIS N N 15 115.66 0.1 . 1 . . . . 32 HIS N . 6947 1 282 . 1 1 33 33 VAL H H 1 8.74 0.05 . 1 . . . . 33 VAL H . 6947 1 283 . 1 1 33 33 VAL HA H 1 4.86 0.05 . 1 . . . . 33 VAL HA . 6947 1 284 . 1 1 33 33 VAL HB H 1 2.14 0.05 . 1 . . . . 33 VAL HB . 6947 1 285 . 1 1 33 33 VAL HG11 H 1 1.01 0.05 . 2 . . . . 33 VAL HG1 . 6947 1 286 . 1 1 33 33 VAL HG12 H 1 1.01 0.05 . 2 . . . . 33 VAL HG1 . 6947 1 287 . 1 1 33 33 VAL HG13 H 1 1.01 0.05 . 2 . . . . 33 VAL HG1 . 6947 1 288 . 1 1 33 33 VAL HG21 H 1 0.92 0.05 . 2 . . . . 33 VAL HG2 . 6947 1 289 . 1 1 33 33 VAL HG22 H 1 0.92 0.05 . 2 . . . . 33 VAL HG2 . 6947 1 290 . 1 1 33 33 VAL HG23 H 1 0.92 0.05 . 2 . . . . 33 VAL HG2 . 6947 1 291 . 1 1 33 33 VAL C C 13 174.74 0.5 . 1 . . . . 33 VAL C . 6947 1 292 . 1 1 33 33 VAL CA C 13 59.24 0.5 . 1 . . . . 33 VAL CA . 6947 1 293 . 1 1 33 33 VAL CB C 13 34.52 0.5 . 1 . . . . 33 VAL CB . 6947 1 294 . 1 1 33 33 VAL CG1 C 13 20.92 0.5 . 2 . . . . 33 VAL CG1 . 6947 1 295 . 1 1 33 33 VAL CG2 C 13 21.11 0.5 . 2 . . . . 33 VAL CG2 . 6947 1 296 . 1 1 33 33 VAL N N 15 118.59 0.1 . 1 . . . . 33 VAL N . 6947 1 297 . 1 1 34 34 SER H H 1 9.24 0.05 . 1 . . . . 34 SER H . 6947 1 298 . 1 1 34 34 SER C C 13 174.91 0.5 . 1 . . . . 34 SER C . 6947 1 299 . 1 1 34 34 SER CA C 13 56.26 0.5 . 1 . . . . 34 SER CA . 6947 1 300 . 1 1 34 34 SER CB C 13 65.41 0.5 . 1 . . . . 34 SER CB . 6947 1 301 . 1 1 34 34 SER N N 15 122.11 0.1 . 1 . . . . 34 SER N . 6947 1 302 . 1 1 35 35 ALA H H 1 9.64 0.05 . 1 . . . . 35 ALA H . 6947 1 303 . 1 1 35 35 ALA HA H 1 3.51 0.05 . 1 . . . . 35 ALA HA . 6947 1 304 . 1 1 35 35 ALA HB1 H 1 0.62 0.05 . 1 . . . . 35 ALA HB . 6947 1 305 . 1 1 35 35 ALA HB2 H 1 0.62 0.05 . 1 . . . . 35 ALA HB . 6947 1 306 . 1 1 35 35 ALA HB3 H 1 0.62 0.05 . 1 . . . . 35 ALA HB . 6947 1 307 . 1 1 35 35 ALA C C 13 179.03 0.5 . 1 . . . . 35 ALA C . 6947 1 308 . 1 1 35 35 ALA CA C 13 54.82 0.5 . 1 . . . . 35 ALA CA . 6947 1 309 . 1 1 35 35 ALA CB C 13 16.76 0.5 . 1 . . . . 35 ALA CB . 6947 1 310 . 1 1 35 35 ALA N N 15 123.69 0.1 . 1 . . . . 35 ALA N . 6947 1 311 . 1 1 36 36 GLU H H 1 8.77 0.05 . 1 . . . . 36 GLU H . 6947 1 312 . 1 1 36 36 GLU HG2 H 1 2.59 0.05 . 2 . . . . 36 GLU HG2 . 6947 1 313 . 1 1 36 36 GLU HG3 H 1 2.29 0.05 . 2 . . . . 36 GLU HG3 . 6947 1 314 . 1 1 36 36 GLU C C 13 179.10 0.5 . 1 . . . . 36 GLU C . 6947 1 315 . 1 1 36 36 GLU CA C 13 60.75 0.5 . 1 . . . . 36 GLU CA . 6947 1 316 . 1 1 36 36 GLU CB C 13 27.83 0.5 . 1 . . . . 36 GLU CB . 6947 1 317 . 1 1 36 36 GLU CG C 13 37.52 0.5 . 1 . . . . 36 GLU CG . 6947 1 318 . 1 1 36 36 GLU N N 15 115.64 0.1 . 1 . . . . 36 GLU N . 6947 1 319 . 1 1 37 37 ASP H H 1 8.09 0.05 . 1 . . . . 37 ASP H . 6947 1 320 . 1 1 37 37 ASP HB2 H 1 2.93 0.05 . 2 . . . . 37 ASP HB2 . 6947 1 321 . 1 1 37 37 ASP C C 13 179.05 0.5 . 1 . . . . 37 ASP C . 6947 1 322 . 1 1 37 37 ASP CA C 13 56.51 0.5 . 1 . . . . 37 ASP CA . 6947 1 323 . 1 1 37 37 ASP CB C 13 39.52 0.5 . 1 . . . . 37 ASP CB . 6947 1 324 . 1 1 37 37 ASP N N 15 121.01 0.1 . 1 . . . . 37 ASP N . 6947 1 325 . 1 1 38 38 LEU H H 1 8.17 0.05 . 1 . . . . 38 LEU H . 6947 1 326 . 1 1 38 38 LEU HA H 1 3.84 0.05 . 1 . . . . 38 LEU HA . 6947 1 327 . 1 1 38 38 LEU HB2 H 1 1.74 0.05 . 2 . . . . 38 LEU HB2 . 6947 1 328 . 1 1 38 38 LEU HG H 1 1.60 0.05 . 1 . . . . 38 LEU HG . 6947 1 329 . 1 1 38 38 LEU C C 13 178.12 0.5 . 1 . . . . 38 LEU C . 6947 1 330 . 1 1 38 38 LEU CA C 13 58.37 0.5 . 1 . . . . 38 LEU CA . 6947 1 331 . 1 1 38 38 LEU CB C 13 40.82 0.5 . 1 . . . . 38 LEU CB . 6947 1 332 . 1 1 38 38 LEU CD1 C 13 25.35 0.5 . 2 . . . . 38 LEU CD1 . 6947 1 333 . 1 1 38 38 LEU N N 15 124.17 0.1 . 1 . . . . 38 LEU N . 6947 1 334 . 1 1 39 39 TYR H H 1 8.52 0.05 . 1 . . . . 39 TYR H . 6947 1 335 . 1 1 39 39 TYR HB2 H 1 3.25 0.05 . 2 . . . . 39 TYR HB2 . 6947 1 336 . 1 1 39 39 TYR C C 13 175.71 0.5 . 1 . . . . 39 TYR C . 6947 1 337 . 1 1 39 39 TYR CA C 13 60.39 0.5 . 1 . . . . 39 TYR CA . 6947 1 338 . 1 1 39 39 TYR CB C 13 38.45 0.5 . 1 . . . . 39 TYR CB . 6947 1 339 . 1 1 39 39 TYR N N 15 119.05 0.1 . 1 . . . . 39 TYR N . 6947 1 340 . 1 1 40 40 LYS H H 1 7.85 0.05 . 1 . . . . 40 LYS H . 6947 1 341 . 1 1 40 40 LYS C C 13 178.51 0.5 . 1 . . . . 40 LYS C . 6947 1 342 . 1 1 40 40 LYS CA C 13 58.84 0.5 . 1 . . . . 40 LYS CA . 6947 1 343 . 1 1 40 40 LYS CB C 13 31.47 0.5 . 1 . . . . 40 LYS CB . 6947 1 344 . 1 1 40 40 LYS N N 15 117.86 0.1 . 1 . . . . 40 LYS N . 6947 1 345 . 1 1 41 41 ARG H H 1 7.68 0.05 . 1 . . . . 41 ARG H . 6947 1 346 . 1 1 41 41 ARG C C 13 178.51 0.5 . 1 . . . . 41 ARG C . 6947 1 347 . 1 1 41 41 ARG CA C 13 57.28 0.5 . 1 . . . . 41 ARG CA . 6947 1 348 . 1 1 41 41 ARG CB C 13 27.87 0.5 . 1 . . . . 41 ARG CB . 6947 1 349 . 1 1 41 41 ARG CG C 13 26.64 0.5 . 1 . . . . 41 ARG CG . 6947 1 350 . 1 1 41 41 ARG CD C 13 41.82 0.5 . 1 . . . . 41 ARG CD . 6947 1 351 . 1 1 41 41 ARG N N 15 118.64 0.1 . 1 . . . . 41 ARG N . 6947 1 352 . 1 1 42 42 LEU H H 1 8.01 0.05 . 1 . . . . 42 LEU H . 6947 1 353 . 1 1 42 42 LEU C C 13 179.41 0.5 . 1 . . . . 42 LEU C . 6947 1 354 . 1 1 42 42 LEU CA C 13 57.53 0.5 . 1 . . . . 42 LEU CA . 6947 1 355 . 1 1 42 42 LEU CB C 13 40.00 0.5 . 1 . . . . 42 LEU CB . 6947 1 356 . 1 1 42 42 LEU N N 15 119.11 0.1 . 1 . . . . 42 LEU N . 6947 1 357 . 1 1 43 43 ILE H H 1 8.05 0.05 . 1 . . . . 43 ILE H . 6947 1 358 . 1 1 43 43 ILE HA H 1 3.92 0.05 . 1 . . . . 43 ILE HA . 6947 1 359 . 1 1 43 43 ILE HB H 1 1.86 0.05 . 1 . . . . 43 ILE HB . 6947 1 360 . 1 1 43 43 ILE HG12 H 1 0.91 0.05 . 2 . . . . 43 ILE HG12 . 6947 1 361 . 1 1 43 43 ILE HG21 H 1 0.81 0.05 . 1 . . . . 43 ILE HG2 . 6947 1 362 . 1 1 43 43 ILE HG22 H 1 0.81 0.05 . 1 . . . . 43 ILE HG2 . 6947 1 363 . 1 1 43 43 ILE HG23 H 1 0.81 0.05 . 1 . . . . 43 ILE HG2 . 6947 1 364 . 1 1 43 43 ILE HD11 H 1 0.57 0.05 . 1 . . . . 43 ILE HD1 . 6947 1 365 . 1 1 43 43 ILE HD12 H 1 0.57 0.05 . 1 . . . . 43 ILE HD1 . 6947 1 366 . 1 1 43 43 ILE HD13 H 1 0.57 0.05 . 1 . . . . 43 ILE HD1 . 6947 1 367 . 1 1 43 43 ILE C C 13 181.70 0.5 . 1 . . . . 43 ILE C . 6947 1 368 . 1 1 43 43 ILE CA C 13 62.69 0.5 . 1 . . . . 43 ILE CA . 6947 1 369 . 1 1 43 43 ILE CB C 13 35.40 0.5 . 1 . . . . 43 ILE CB . 6947 1 370 . 1 1 43 43 ILE CG1 C 13 26.56 0.5 . 1 . . . . 43 ILE CG1 . 6947 1 371 . 1 1 43 43 ILE CG2 C 13 16.75 0.5 . 1 . . . . 43 ILE CG2 . 6947 1 372 . 1 1 43 43 ILE CD1 C 13 10.02 0.5 . 1 . . . . 43 ILE CD1 . 6947 1 373 . 1 1 43 43 ILE N N 15 119.97 0.1 . 1 . . . . 43 ILE N . 6947 1 374 . 1 1 44 44 ASP H H 1 8.20 0.05 . 1 . . . . 44 ASP H . 6947 1 375 . 1 1 44 44 ASP HA H 1 4.39 0.05 . 1 . . . . 44 ASP HA . 6947 1 376 . 1 1 44 44 ASP HB2 H 1 2.69 0.05 . 2 . . . . 44 ASP HB2 . 6947 1 377 . 1 1 44 44 ASP HB3 H 1 2.92 0.05 . 2 . . . . 44 ASP HB3 . 6947 1 378 . 1 1 44 44 ASP C C 13 178.23 0.5 . 1 . . . . 44 ASP C . 6947 1 379 . 1 1 44 44 ASP CA C 13 56.73 0.5 . 1 . . . . 44 ASP CA . 6947 1 380 . 1 1 44 44 ASP CB C 13 39.76 0.5 . 1 . . . . 44 ASP CB . 6947 1 381 . 1 1 44 44 ASP N N 15 123.82 0.1 . 1 . . . . 44 ASP N . 6947 1 382 . 1 1 45 45 MET H H 1 7.72 0.05 . 1 . . . . 45 MET H . 6947 1 383 . 1 1 45 45 MET C C 13 176.44 0.5 . 1 . . . . 45 MET C . 6947 1 384 . 1 1 45 45 MET CA C 13 55.96 0.5 . 1 . . . . 45 MET CA . 6947 1 385 . 1 1 45 45 MET CB C 13 33.56 0.5 . 1 . . . . 45 MET CB . 6947 1 386 . 1 1 45 45 MET CG C 13 31.23 0.5 . 1 . . . . 45 MET CG . 6947 1 387 . 1 1 45 45 MET N N 15 116.76 0.1 . 1 . . . . 45 MET N . 6947 1 388 . 1 1 46 46 GLY H H 1 8.01 0.05 . 1 . . . . 46 GLY H . 6947 1 389 . 1 1 46 46 GLY C C 13 174.91 0.5 . 1 . . . . 46 GLY C . 6947 1 390 . 1 1 46 46 GLY CA C 13 44.61 0.5 . 1 . . . . 46 GLY CA . 6947 1 391 . 1 1 46 46 GLY N N 15 107.76 0.1 . 1 . . . . 46 GLY N . 6947 1 392 . 1 1 47 47 GLU H H 1 7.85 0.05 . 1 . . . . 47 GLU H . 6947 1 393 . 1 1 47 47 GLU HG2 H 1 2.06 0.05 . 2 . . . . 47 GLU HG2 . 6947 1 394 . 1 1 47 47 GLU C C 13 175.85 0.5 . 1 . . . . 47 GLU C . 6947 1 395 . 1 1 47 47 GLU CA C 13 54.55 0.5 . 1 . . . . 47 GLU CA . 6947 1 396 . 1 1 47 47 GLU CB C 13 29.18 0.5 . 1 . . . . 47 GLU CB . 6947 1 397 . 1 1 47 47 GLU CG C 13 35.30 0.5 . 1 . . . . 47 GLU CG . 6947 1 398 . 1 1 47 47 GLU N N 15 118.87 0.1 . 1 . . . . 47 GLU N . 6947 1 399 . 1 1 48 48 GLU H H 1 8.73 0.05 . 1 . . . . 48 GLU H . 6947 1 400 . 1 1 48 48 GLU HG2 H 1 2.13 0.05 . 2 . . . . 48 GLU HG2 . 6947 1 401 . 1 1 48 48 GLU C C 13 174.88 0.5 . 1 . . . . 48 GLU C . 6947 1 402 . 1 1 48 48 GLU CA C 13 54.70 0.5 . 1 . . . . 48 GLU CA . 6947 1 403 . 1 1 48 48 GLU CB C 13 28.38 0.5 . 1 . . . . 48 GLU CB . 6947 1 404 . 1 1 48 48 GLU CG C 13 35.70 0.5 . 1 . . . . 48 GLU CG . 6947 1 405 . 1 1 48 48 GLU N N 15 123.48 0.1 . 1 . . . . 48 GLU N . 6947 1 406 . 1 1 49 49 ILE H H 1 7.43 0.05 . 1 . . . . 49 ILE H . 6947 1 407 . 1 1 49 49 ILE HA H 1 4.37 0.05 . 1 . . . . 49 ILE HA . 6947 1 408 . 1 1 49 49 ILE HB H 1 1.65 0.05 . 1 . . . . 49 ILE HB . 6947 1 409 . 1 1 49 49 ILE HG12 H 1 1.61 0.05 . 2 . . . . 49 ILE HG12 . 6947 1 410 . 1 1 49 49 ILE HG13 H 1 1.23 0.05 . 2 . . . . 49 ILE HG13 . 6947 1 411 . 1 1 49 49 ILE HG21 H 1 0.82 0.05 . 1 . . . . 49 ILE HG2 . 6947 1 412 . 1 1 49 49 ILE HG22 H 1 0.82 0.05 . 1 . . . . 49 ILE HG2 . 6947 1 413 . 1 1 49 49 ILE HG23 H 1 0.82 0.05 . 1 . . . . 49 ILE HG2 . 6947 1 414 . 1 1 49 49 ILE HD11 H 1 0.80 0.05 . 1 . . . . 49 ILE HD1 . 6947 1 415 . 1 1 49 49 ILE HD12 H 1 0.80 0.05 . 1 . . . . 49 ILE HD1 . 6947 1 416 . 1 1 49 49 ILE HD13 H 1 0.80 0.05 . 1 . . . . 49 ILE HD1 . 6947 1 417 . 1 1 49 49 ILE C C 13 174.08 0.5 . 1 . . . . 49 ILE C . 6947 1 418 . 1 1 49 49 ILE CA C 13 59.20 0.5 . 1 . . . . 49 ILE CA . 6947 1 419 . 1 1 49 49 ILE CB C 13 40.60 0.5 . 1 . . . . 49 ILE CB . 6947 1 420 . 1 1 49 49 ILE CG1 C 13 27.36 0.5 . 1 . . . . 49 ILE CG1 . 6947 1 421 . 1 1 49 49 ILE CG2 C 13 16.67 0.5 . 1 . . . . 49 ILE CG2 . 6947 1 422 . 1 1 49 49 ILE CD1 C 13 14.48 0.5 . 1 . . . . 49 ILE CD1 . 6947 1 423 . 1 1 49 49 ILE N N 15 122.98 0.1 . 1 . . . . 49 ILE N . 6947 1 424 . 1 1 50 50 GLY H H 1 8.27 0.05 . 1 . . . . 50 GLY H . 6947 1 425 . 1 1 50 50 GLY HA2 H 1 3.97 0.05 . 2 . . . . 50 GLY HA2 . 6947 1 426 . 1 1 50 50 GLY HA3 H 1 4.45 0.05 . 2 . . . . 50 GLY HA3 . 6947 1 427 . 1 1 50 50 GLY C C 13 174.57 0.5 . 1 . . . . 50 GLY C . 6947 1 428 . 1 1 50 50 GLY CA C 13 43.86 0.5 . 1 . . . . 50 GLY CA . 6947 1 429 . 1 1 50 50 GLY N N 15 111.32 0.1 . 1 . . . . 50 GLY N . 6947 1 430 . 1 1 51 51 LEU H H 1 8.36 0.05 . 1 . . . . 51 LEU H . 6947 1 431 . 1 1 51 51 LEU C C 13 178.34 0.5 . 1 . . . . 51 LEU C . 6947 1 432 . 1 1 51 51 LEU CA C 13 57.51 0.5 . 1 . . . . 51 LEU CA . 6947 1 433 . 1 1 51 51 LEU CB C 13 39.80 0.5 . 1 . . . . 51 LEU CB . 6947 1 434 . 1 1 51 51 LEU N N 15 125.27 0.1 . 1 . . . . 51 LEU N . 6947 1 435 . 1 1 52 52 ALA H H 1 8.65 0.05 . 1 . . . . 52 ALA H . 6947 1 436 . 1 1 52 52 ALA HA H 1 3.94 0.05 . 1 . . . . 52 ALA HA . 6947 1 437 . 1 1 52 52 ALA HB1 H 1 1.35 0.05 . 1 . . . . 52 ALA HB . 6947 1 438 . 1 1 52 52 ALA HB2 H 1 1.35 0.05 . 1 . . . . 52 ALA HB . 6947 1 439 . 1 1 52 52 ALA HB3 H 1 1.35 0.05 . 1 . . . . 52 ALA HB . 6947 1 440 . 1 1 52 52 ALA C C 13 180.95 0.5 . 1 . . . . 52 ALA C . 6947 1 441 . 1 1 52 52 ALA CA C 13 54.61 0.5 . 1 . . . . 52 ALA CA . 6947 1 442 . 1 1 52 52 ALA CB C 13 17.06 0.5 . 1 . . . . 52 ALA CB . 6947 1 443 . 1 1 52 52 ALA N N 15 118.63 0.1 . 1 . . . . 52 ALA N . 6947 1 444 . 1 1 53 53 THR H H 1 7.35 0.05 . 1 . . . . 53 THR H . 6947 1 445 . 1 1 53 53 THR HA H 1 3.77 0.05 . 1 . . . . 53 THR HA . 6947 1 446 . 1 1 53 53 THR HB H 1 3.85 0.05 . 1 . . . . 53 THR HB . 6947 1 447 . 1 1 53 53 THR HG21 H 1 1.11 0.05 . 1 . . . . 53 THR HG2 . 6947 1 448 . 1 1 53 53 THR HG22 H 1 1.11 0.05 . 1 . . . . 53 THR HG2 . 6947 1 449 . 1 1 53 53 THR HG23 H 1 1.11 0.05 . 1 . . . . 53 THR HG2 . 6947 1 450 . 1 1 53 53 THR C C 13 175.09 0.5 . 1 . . . . 53 THR C . 6947 1 451 . 1 1 53 53 THR CA C 13 65.51 0.5 . 1 . . . . 53 THR CA . 6947 1 452 . 1 1 53 53 THR CB C 13 67.23 0.5 . 1 . . . . 53 THR CB . 6947 1 453 . 1 1 53 53 THR CG2 C 13 22.46 0.5 . 1 . . . . 53 THR CG2 . 6947 1 454 . 1 1 53 53 THR N N 15 117.02 0.1 . 1 . . . . 53 THR N . 6947 1 455 . 1 1 54 54 VAL H H 1 7.43 0.05 . 1 . . . . 54 VAL H . 6947 1 456 . 1 1 54 54 VAL HB H 1 2.24 0.05 . 1 . . . . 54 VAL HB . 6947 1 457 . 1 1 54 54 VAL HG11 H 1 0.71 0.05 . 2 . . . . 54 VAL HG1 . 6947 1 458 . 1 1 54 54 VAL HG12 H 1 0.71 0.05 . 2 . . . . 54 VAL HG1 . 6947 1 459 . 1 1 54 54 VAL HG13 H 1 0.71 0.05 . 2 . . . . 54 VAL HG1 . 6947 1 460 . 1 1 54 54 VAL HG21 H 1 0.92 0.05 . 2 . . . . 54 VAL HG2 . 6947 1 461 . 1 1 54 54 VAL HG22 H 1 0.92 0.05 . 2 . . . . 54 VAL HG2 . 6947 1 462 . 1 1 54 54 VAL HG23 H 1 0.92 0.05 . 2 . . . . 54 VAL HG2 . 6947 1 463 . 1 1 54 54 VAL C C 13 177.69 0.5 . 1 . . . . 54 VAL C . 6947 1 464 . 1 1 54 54 VAL CA C 13 67.00 0.5 . 1 . . . . 54 VAL CA . 6947 1 465 . 1 1 54 54 VAL CB C 13 30.40 0.5 . 1 . . . . 54 VAL CB . 6947 1 466 . 1 1 54 54 VAL CG1 C 13 21.50 0.5 . 2 . . . . 54 VAL CG1 . 6947 1 467 . 1 1 54 54 VAL CG2 C 13 23.11 0.5 . 2 . . . . 54 VAL CG2 . 6947 1 468 . 1 1 54 54 VAL N N 15 122.18 0.1 . 1 . . . . 54 VAL N . 6947 1 469 . 1 1 55 55 TYR H H 1 8.00 0.05 . 1 . . . . 55 TYR H . 6947 1 470 . 1 1 55 55 TYR HB2 H 1 2.61 0.05 . 2 . . . . 55 TYR HB2 . 6947 1 471 . 1 1 55 55 TYR C C 13 177.58 0.5 . 1 . . . . 55 TYR C . 6947 1 472 . 1 1 55 55 TYR CA C 13 62.42 0.5 . 1 . . . . 55 TYR CA . 6947 1 473 . 1 1 55 55 TYR CB C 13 37.93 0.5 . 1 . . . . 55 TYR CB . 6947 1 474 . 1 1 55 55 TYR N N 15 115.62 0.1 . 1 . . . . 55 TYR N . 6947 1 475 . 1 1 56 56 ARG H H 1 7.75 0.05 . 1 . . . . 56 ARG H . 6947 1 476 . 1 1 56 56 ARG C C 13 178.63 0.5 . 1 . . . . 56 ARG C . 6947 1 477 . 1 1 56 56 ARG CA C 13 59.07 0.5 . 1 . . . . 56 ARG CA . 6947 1 478 . 1 1 56 56 ARG CB C 13 29.04 0.5 . 1 . . . . 56 ARG CB . 6947 1 479 . 1 1 56 56 ARG N N 15 119.19 0.1 . 1 . . . . 56 ARG N . 6947 1 480 . 1 1 57 57 VAL H H 1 7.73 0.05 . 1 . . . . 57 VAL H . 6947 1 481 . 1 1 57 57 VAL HB H 1 1.49 0.05 . 1 . . . . 57 VAL HB . 6947 1 482 . 1 1 57 57 VAL HG11 H 1 -0.01 0.05 . 2 . . . . 57 VAL HG1 . 6947 1 483 . 1 1 57 57 VAL HG12 H 1 -0.01 0.05 . 2 . . . . 57 VAL HG1 . 6947 1 484 . 1 1 57 57 VAL HG13 H 1 -0.01 0.05 . 2 . . . . 57 VAL HG1 . 6947 1 485 . 1 1 57 57 VAL HG21 H 1 0.62 0.05 . 2 . . . . 57 VAL HG2 . 6947 1 486 . 1 1 57 57 VAL HG22 H 1 0.62 0.05 . 2 . . . . 57 VAL HG2 . 6947 1 487 . 1 1 57 57 VAL HG23 H 1 0.62 0.05 . 2 . . . . 57 VAL HG2 . 6947 1 488 . 1 1 57 57 VAL C C 13 177.07 0.5 . 1 . . . . 57 VAL C . 6947 1 489 . 1 1 57 57 VAL CA C 13 65.44 0.5 . 1 . . . . 57 VAL CA . 6947 1 490 . 1 1 57 57 VAL CB C 13 30.42 0.5 . 1 . . . . 57 VAL CB . 6947 1 491 . 1 1 57 57 VAL CG1 C 13 21.56 0.5 . 2 . . . . 57 VAL CG1 . 6947 1 492 . 1 1 57 57 VAL CG2 C 13 23.16 0.5 . 2 . . . . 57 VAL CG2 . 6947 1 493 . 1 1 57 57 VAL N N 15 117.30 0.1 . 1 . . . . 57 VAL N . 6947 1 494 . 1 1 58 58 LEU H H 1 7.92 0.05 . 1 . . . . 58 LEU H . 6947 1 495 . 1 1 58 58 LEU HG H 1 1.20 0.05 . 1 . . . . 58 LEU HG . 6947 1 496 . 1 1 58 58 LEU HD11 H 1 0.12 0.05 . 2 . . . . 58 LEU HD1 . 6947 1 497 . 1 1 58 58 LEU HD12 H 1 0.12 0.05 . 2 . . . . 58 LEU HD1 . 6947 1 498 . 1 1 58 58 LEU HD13 H 1 0.12 0.05 . 2 . . . . 58 LEU HD1 . 6947 1 499 . 1 1 58 58 LEU HD21 H 1 -0.05 0.05 . 2 . . . . 58 LEU HD2 . 6947 1 500 . 1 1 58 58 LEU HD22 H 1 -0.05 0.05 . 2 . . . . 58 LEU HD2 . 6947 1 501 . 1 1 58 58 LEU HD23 H 1 -0.05 0.05 . 2 . . . . 58 LEU HD2 . 6947 1 502 . 1 1 58 58 LEU C C 13 178.71 0.5 . 1 . . . . 58 LEU C . 6947 1 503 . 1 1 58 58 LEU CA C 13 57.38 0.5 . 1 . . . . 58 LEU CA . 6947 1 504 . 1 1 58 58 LEU CB C 13 39.48 0.5 . 1 . . . . 58 LEU CB . 6947 1 505 . 1 1 58 58 LEU CG C 13 25.20 0.5 . 1 . . . . 58 LEU CG . 6947 1 506 . 1 1 58 58 LEU CD1 C 13 20.67 0.5 . 2 . . . . 58 LEU CD1 . 6947 1 507 . 1 1 58 58 LEU N N 15 117.20 0.1 . 1 . . . . 58 LEU N . 6947 1 508 . 1 1 59 59 ASN H H 1 8.42 0.05 . 1 . . . . 59 ASN H . 6947 1 509 . 1 1 59 59 ASN C C 13 177.55 0.5 . 1 . . . . 59 ASN C . 6947 1 510 . 1 1 59 59 ASN CA C 13 56.14 0.5 . 1 . . . . 59 ASN CA . 6947 1 511 . 1 1 59 59 ASN CB C 13 37.40 0.5 . 1 . . . . 59 ASN CB . 6947 1 512 . 1 1 59 59 ASN N N 15 116.78 0.1 . 1 . . . . 59 ASN N . 6947 1 513 . 1 1 60 60 GLN H H 1 7.65 0.05 . 1 . . . . 60 GLN H . 6947 1 514 . 1 1 60 60 GLN C C 13 181.34 0.5 . 1 . . . . 60 GLN C . 6947 1 515 . 1 1 60 60 GLN CA C 13 58.26 0.5 . 1 . . . . 60 GLN CA . 6947 1 516 . 1 1 60 60 GLN CB C 13 26.61 0.5 . 1 . . . . 60 GLN CB . 6947 1 517 . 1 1 60 60 GLN N N 15 119.61 0.1 . 1 . . . . 60 GLN N . 6947 1 518 . 1 1 61 61 PHE H H 1 8.78 0.05 . 1 . . . . 61 PHE H . 6947 1 519 . 1 1 61 61 PHE C C 13 178.01 0.5 . 1 . . . . 61 PHE C . 6947 1 520 . 1 1 61 61 PHE CA C 13 56.30 0.5 . 1 . . . . 61 PHE CA . 6947 1 521 . 1 1 61 61 PHE CB C 13 36.13 0.5 . 1 . . . . 61 PHE CB . 6947 1 522 . 1 1 61 61 PHE N N 15 120.34 0.1 . 1 . . . . 61 PHE N . 6947 1 523 . 1 1 62 62 ASP H H 1 8.78 0.05 . 1 . . . . 62 ASP H . 6947 1 524 . 1 1 62 62 ASP C C 13 179.16 0.5 . 1 . . . . 62 ASP C . 6947 1 525 . 1 1 62 62 ASP CA C 13 56.43 0.5 . 1 . . . . 62 ASP CA . 6947 1 526 . 1 1 62 62 ASP CB C 13 41.06 0.5 . 1 . . . . 62 ASP CB . 6947 1 527 . 1 1 62 62 ASP N N 15 125.19 0.1 . 1 . . . . 62 ASP N . 6947 1 528 . 1 1 63 63 ASP H H 1 8.42 0.05 . 1 . . . . 63 ASP H . 6947 1 529 . 1 1 63 63 ASP C C 13 177.56 0.5 . 1 . . . . 63 ASP C . 6947 1 530 . 1 1 63 63 ASP CA C 13 56.73 0.5 . 1 . . . . 63 ASP CA . 6947 1 531 . 1 1 63 63 ASP CB C 13 40.03 0.5 . 1 . . . . 63 ASP CB . 6947 1 532 . 1 1 63 63 ASP N N 15 120.20 0.1 . 1 . . . . 63 ASP N . 6947 1 533 . 1 1 64 64 ALA H H 1 7.13 0.05 . 1 . . . . 64 ALA H . 6947 1 534 . 1 1 64 64 ALA HA H 1 4.50 0.05 . 1 . . . . 64 ALA HA . 6947 1 535 . 1 1 64 64 ALA HB1 H 1 1.20 0.05 . 1 . . . . 64 ALA HB . 6947 1 536 . 1 1 64 64 ALA HB2 H 1 1.20 0.05 . 1 . . . . 64 ALA HB . 6947 1 537 . 1 1 64 64 ALA HB3 H 1 1.20 0.05 . 1 . . . . 64 ALA HB . 6947 1 538 . 1 1 64 64 ALA C C 13 177.14 0.5 . 1 . . . . 64 ALA C . 6947 1 539 . 1 1 64 64 ALA CA C 13 50.53 0.5 . 1 . . . . 64 ALA CA . 6947 1 540 . 1 1 64 64 ALA CB C 13 20.31 0.5 . 1 . . . . 64 ALA CB . 6947 1 541 . 1 1 64 64 ALA N N 15 114.88 0.1 . 1 . . . . 64 ALA N . 6947 1 542 . 1 1 65 65 GLY H H 1 8.09 0.05 . 1 . . . . 65 GLY H . 6947 1 543 . 1 1 65 65 GLY C C 13 173.73 0.5 . 1 . . . . 65 GLY C . 6947 1 544 . 1 1 65 65 GLY CA C 13 45.85 0.5 . 1 . . . . 65 GLY CA . 6947 1 545 . 1 1 65 65 GLY N N 15 109.13 0.1 . 1 . . . . 65 GLY N . 6947 1 546 . 1 1 66 66 ILE H H 1 8.10 0.05 . 1 . . . . 66 ILE H . 6947 1 547 . 1 1 66 66 ILE HA H 1 3.40 0.05 . 1 . . . . 66 ILE HA . 6947 1 548 . 1 1 66 66 ILE HB H 1 0.94 0.05 . 1 . . . . 66 ILE HB . 6947 1 549 . 1 1 66 66 ILE HG12 H 1 0.36 0.05 . 2 . . . . 66 ILE HG12 . 6947 1 550 . 1 1 66 66 ILE HG13 H 1 0.97 0.05 . 2 . . . . 66 ILE HG13 . 6947 1 551 . 1 1 66 66 ILE HG21 H 1 -0.05 0.05 . 1 . . . . 66 ILE HG2 . 6947 1 552 . 1 1 66 66 ILE HG22 H 1 -0.05 0.05 . 1 . . . . 66 ILE HG2 . 6947 1 553 . 1 1 66 66 ILE HG23 H 1 -0.05 0.05 . 1 . . . . 66 ILE HG2 . 6947 1 554 . 1 1 66 66 ILE HD11 H 1 -0.41 0.05 . 1 . . . . 66 ILE HD1 . 6947 1 555 . 1 1 66 66 ILE HD12 H 1 -0.41 0.05 . 1 . . . . 66 ILE HD1 . 6947 1 556 . 1 1 66 66 ILE HD13 H 1 -0.41 0.05 . 1 . . . . 66 ILE HD1 . 6947 1 557 . 1 1 66 66 ILE C C 13 175.58 0.5 . 1 . . . . 66 ILE C . 6947 1 558 . 1 1 66 66 ILE CA C 13 62.70 0.5 . 1 . . . . 66 ILE CA . 6947 1 559 . 1 1 66 66 ILE CB C 13 39.02 0.5 . 1 . . . . 66 ILE CB . 6947 1 560 . 1 1 66 66 ILE CG1 C 13 29.10 0.5 . 1 . . . . 66 ILE CG1 . 6947 1 561 . 1 1 66 66 ILE CG2 C 13 15.15 0.5 . 1 . . . . 66 ILE CG2 . 6947 1 562 . 1 1 66 66 ILE CD1 C 13 12.69 0.5 . 1 . . . . 66 ILE CD1 . 6947 1 563 . 1 1 66 66 ILE N N 15 118.50 0.1 . 1 . . . . 66 ILE N . 6947 1 564 . 1 1 67 67 VAL HA H 1 4.99 0.05 . 1 . . . . 67 VAL HA . 6947 1 565 . 1 1 67 67 VAL HB H 1 2.22 0.05 . 1 . . . . 67 VAL HB . 6947 1 566 . 1 1 67 67 VAL HG11 H 1 0.71 0.05 . 2 . . . . 67 VAL HG1 . 6947 1 567 . 1 1 67 67 VAL HG12 H 1 0.71 0.05 . 2 . . . . 67 VAL HG1 . 6947 1 568 . 1 1 67 67 VAL HG13 H 1 0.71 0.05 . 2 . . . . 67 VAL HG1 . 6947 1 569 . 1 1 67 67 VAL HG21 H 1 0.78 0.05 . 2 . . . . 67 VAL HG2 . 6947 1 570 . 1 1 67 67 VAL HG22 H 1 0.78 0.05 . 2 . . . . 67 VAL HG2 . 6947 1 571 . 1 1 67 67 VAL HG23 H 1 0.78 0.05 . 2 . . . . 67 VAL HG2 . 6947 1 572 . 1 1 67 67 VAL C C 13 174.50 0.5 . 1 . . . . 67 VAL C . 6947 1 573 . 1 1 67 67 VAL CA C 13 56.51 0.5 . 1 . . . . 67 VAL CA . 6947 1 574 . 1 1 67 67 VAL CB C 13 33.82 0.5 . 1 . . . . 67 VAL CB . 6947 1 575 . 1 1 67 67 VAL CG1 C 13 18.34 0.5 . 2 . . . . 67 VAL CG1 . 6947 1 576 . 1 1 67 67 VAL CG2 C 13 21.76 0.5 . 2 . . . . 67 VAL CG2 . 6947 1 577 . 1 1 68 68 THR H H 1 8.96 0.05 . 1 . . . . 68 THR H . 6947 1 578 . 1 1 68 68 THR HA H 1 4.32 0.05 . 1 . . . . 68 THR HA . 6947 1 579 . 1 1 68 68 THR HB H 1 3.68 0.05 . 1 . . . . 68 THR HB . 6947 1 580 . 1 1 68 68 THR HG21 H 1 0.68 0.05 . 1 . . . . 68 THR HG2 . 6947 1 581 . 1 1 68 68 THR HG22 H 1 0.68 0.05 . 1 . . . . 68 THR HG2 . 6947 1 582 . 1 1 68 68 THR HG23 H 1 0.68 0.05 . 1 . . . . 68 THR HG2 . 6947 1 583 . 1 1 68 68 THR C C 13 172.06 0.5 . 1 . . . . 68 THR C . 6947 1 584 . 1 1 68 68 THR CA C 13 61.78 0.5 . 1 . . . . 68 THR CA . 6947 1 585 . 1 1 68 68 THR CB C 13 70.82 0.5 . 1 . . . . 68 THR CB . 6947 1 586 . 1 1 68 68 THR CG2 C 13 19.60 0.5 . 1 . . . . 68 THR CG2 . 6947 1 587 . 1 1 68 68 THR N N 15 115.11 0.1 . 1 . . . . 68 THR N . 6947 1 588 . 1 1 69 69 ARG H H 1 8.62 0.05 . 1 . . . . 69 ARG H . 6947 1 589 . 1 1 69 69 ARG C C 13 174.42 0.5 . 1 . . . . 69 ARG C . 6947 1 590 . 1 1 69 69 ARG CA C 13 53.64 0.5 . 1 . . . . 69 ARG CA . 6947 1 591 . 1 1 69 69 ARG CB C 13 31.90 0.5 . 1 . . . . 69 ARG CB . 6947 1 592 . 1 1 69 69 ARG N N 15 128.30 0.1 . 1 . . . . 69 ARG N . 6947 1 593 . 1 1 70 70 HIS H H 1 8.86 0.05 . 1 . . . . 70 HIS H . 6947 1 594 . 1 1 70 70 HIS C C 13 173.88 0.5 . 1 . . . . 70 HIS C . 6947 1 595 . 1 1 70 70 HIS CA C 13 53.95 0.5 . 1 . . . . 70 HIS CA . 6947 1 596 . 1 1 70 70 HIS CB C 13 32.21 0.5 . 1 . . . . 70 HIS CB . 6947 1 597 . 1 1 70 70 HIS N N 15 126.13 0.1 . 1 . . . . 70 HIS N . 6947 1 598 . 1 1 71 71 ASN H H 1 8.57 0.05 . 1 . . . . 71 ASN H . 6947 1 599 . 1 1 71 71 ASN HB2 H 1 2.56 0.05 . 2 . . . . 71 ASN HB2 . 6947 1 600 . 1 1 71 71 ASN HB3 H 1 2.64 0.05 . 2 . . . . 71 ASN HB3 . 6947 1 601 . 1 1 71 71 ASN C C 13 174.15 0.5 . 1 . . . . 71 ASN C . 6947 1 602 . 1 1 71 71 ASN CA C 13 52.00 0.5 . 1 . . . . 71 ASN CA . 6947 1 603 . 1 1 71 71 ASN CB C 13 39.74 0.5 . 1 . . . . 71 ASN CB . 6947 1 604 . 1 1 71 71 ASN N N 15 120.84 0.1 . 1 . . . . 71 ASN N . 6947 1 605 . 1 1 72 72 PHE H H 1 8.59 0.05 . 1 . . . . 72 PHE H . 6947 1 606 . 1 1 72 72 PHE HB2 H 1 2.80 0.05 . 2 . . . . 72 PHE HB2 . 6947 1 607 . 1 1 72 72 PHE HB3 H 1 3.26 0.05 . 2 . . . . 72 PHE HB3 . 6947 1 608 . 1 1 72 72 PHE C C 13 175.64 0.5 . 1 . . . . 72 PHE C . 6947 1 609 . 1 1 72 72 PHE CA C 13 55.60 0.5 . 1 . . . . 72 PHE CA . 6947 1 610 . 1 1 72 72 PHE CB C 13 40.79 0.5 . 1 . . . . 72 PHE CB . 6947 1 611 . 1 1 72 72 PHE N N 15 121.85 0.1 . 1 . . . . 72 PHE N . 6947 1 612 . 1 1 73 73 GLU H H 1 8.64 0.05 . 1 . . . . 73 GLU H . 6947 1 613 . 1 1 73 73 GLU C C 13 177.22 0.5 . 1 . . . . 73 GLU C . 6947 1 614 . 1 1 73 73 GLU CA C 13 57.00 0.5 . 1 . . . . 73 GLU CA . 6947 1 615 . 1 1 73 73 GLU CB C 13 29.09 0.5 . 1 . . . . 73 GLU CB . 6947 1 616 . 1 1 73 73 GLU CG C 13 35.67 0.5 . 1 . . . . 73 GLU CG . 6947 1 617 . 1 1 73 73 GLU N N 15 121.40 0.1 . 1 . . . . 73 GLU N . 6947 1 618 . 1 1 74 74 GLY HA2 H 1 3.83 0.05 . 2 . . . . 74 GLY HA2 . 6947 1 619 . 1 1 74 74 GLY HA3 H 1 4.16 0.05 . 2 . . . . 74 GLY HA3 . 6947 1 620 . 1 1 74 74 GLY C C 13 175.63 0.5 . 1 . . . . 74 GLY C . 6947 1 621 . 1 1 74 74 GLY CA C 13 45.01 0.5 . 1 . . . . 74 GLY CA . 6947 1 622 . 1 1 75 75 GLY H H 1 8.19 0.05 . 1 . . . . 75 GLY H . 6947 1 623 . 1 1 75 75 GLY HA2 H 1 3.94 0.05 . 2 . . . . 75 GLY HA2 . 6947 1 624 . 1 1 75 75 GLY HA3 H 1 4.11 0.05 . 2 . . . . 75 GLY HA3 . 6947 1 625 . 1 1 75 75 GLY C C 13 174.36 0.5 . 1 . . . . 75 GLY C . 6947 1 626 . 1 1 75 75 GLY CA C 13 44.98 0.5 . 1 . . . . 75 GLY CA . 6947 1 627 . 1 1 75 75 GLY N N 15 107.75 0.1 . 1 . . . . 75 GLY N . 6947 1 628 . 1 1 76 76 LYS H H 1 7.40 0.05 . 1 . . . . 76 LYS H . 6947 1 629 . 1 1 76 76 LYS C C 13 175.77 0.5 . 1 . . . . 76 LYS C . 6947 1 630 . 1 1 76 76 LYS CA C 13 55.54 0.5 . 1 . . . . 76 LYS CA . 6947 1 631 . 1 1 76 76 LYS CB C 13 32.80 0.5 . 1 . . . . 76 LYS CB . 6947 1 632 . 1 1 76 76 LYS CG C 13 24.48 0.5 . 1 . . . . 76 LYS CG . 6947 1 633 . 1 1 76 76 LYS CD C 13 28.50 0.5 . 1 . . . . 76 LYS CD . 6947 1 634 . 1 1 76 76 LYS CE C 13 41.85 0.5 . 1 . . . . 76 LYS CE . 6947 1 635 . 1 1 76 76 LYS N N 15 121.07 0.1 . 1 . . . . 76 LYS N . 6947 1 636 . 1 1 77 77 SER H H 1 8.45 0.05 . 1 . . . . 77 SER H . 6947 1 637 . 1 1 77 77 SER HB2 H 1 3.49 0.05 . 2 . . . . 77 SER HB2 . 6947 1 638 . 1 1 77 77 SER C C 13 173.81 0.5 . 1 . . . . 77 SER C . 6947 1 639 . 1 1 77 77 SER CA C 13 57.51 0.5 . 1 . . . . 77 SER CA . 6947 1 640 . 1 1 77 77 SER CB C 13 64.88 0.5 . 1 . . . . 77 SER CB . 6947 1 641 . 1 1 77 77 SER N N 15 118.30 0.1 . 1 . . . . 77 SER N . 6947 1 642 . 1 1 78 78 VAL H H 1 8.45 0.05 . 1 . . . . 78 VAL H . 6947 1 643 . 1 1 78 78 VAL HA H 1 4.45 0.05 . 1 . . . . 78 VAL HA . 6947 1 644 . 1 1 78 78 VAL HB H 1 1.76 0.05 . 1 . . . . 78 VAL HB . 6947 1 645 . 1 1 78 78 VAL HG11 H 1 0.63 0.05 . 2 . . . . 78 VAL HG1 . 6947 1 646 . 1 1 78 78 VAL HG12 H 1 0.63 0.05 . 2 . . . . 78 VAL HG1 . 6947 1 647 . 1 1 78 78 VAL HG13 H 1 0.63 0.05 . 2 . . . . 78 VAL HG1 . 6947 1 648 . 1 1 78 78 VAL HG21 H 1 0.77 0.05 . 2 . . . . 78 VAL HG2 . 6947 1 649 . 1 1 78 78 VAL HG22 H 1 0.77 0.05 . 2 . . . . 78 VAL HG2 . 6947 1 650 . 1 1 78 78 VAL HG23 H 1 0.77 0.05 . 2 . . . . 78 VAL HG2 . 6947 1 651 . 1 1 78 78 VAL C C 13 173.11 0.5 . 1 . . . . 78 VAL C . 6947 1 652 . 1 1 78 78 VAL CA C 13 59.06 0.5 . 1 . . . . 78 VAL CA . 6947 1 653 . 1 1 78 78 VAL CB C 13 35.10 0.5 . 1 . . . . 78 VAL CB . 6947 1 654 . 1 1 78 78 VAL CG1 C 13 19.29 0.5 . 2 . . . . 78 VAL CG1 . 6947 1 655 . 1 1 78 78 VAL CG2 C 13 21.45 0.5 . 2 . . . . 78 VAL CG2 . 6947 1 656 . 1 1 78 78 VAL N N 15 116.82 0.1 . 1 . . . . 78 VAL N . 6947 1 657 . 1 1 79 79 PHE H H 1 8.90 0.05 . 1 . . . . 79 PHE H . 6947 1 658 . 1 1 79 79 PHE C C 13 174.10 0.5 . 1 . . . . 79 PHE C . 6947 1 659 . 1 1 79 79 PHE CA C 13 56.86 0.5 . 1 . . . . 79 PHE CA . 6947 1 660 . 1 1 79 79 PHE CB C 13 41.83 0.5 . 1 . . . . 79 PHE CB . 6947 1 661 . 1 1 79 79 PHE N N 15 119.46 0.1 . 1 . . . . 79 PHE N . 6947 1 662 . 1 1 80 80 GLU H H 1 8.63 0.05 . 1 . . . . 80 GLU H . 6947 1 663 . 1 1 80 80 GLU C C 13 175.98 0.5 . 1 . . . . 80 GLU C . 6947 1 664 . 1 1 80 80 GLU CA C 13 53.01 0.5 . 1 . . . . 80 GLU CA . 6947 1 665 . 1 1 80 80 GLU CB C 13 34.03 0.5 . 1 . . . . 80 GLU CB . 6947 1 666 . 1 1 80 80 GLU CG C 13 34.90 0.5 . 1 . . . . 80 GLU CG . 6947 1 667 . 1 1 80 80 GLU N N 15 118.80 0.1 . 1 . . . . 80 GLU N . 6947 1 668 . 1 1 81 81 LEU H H 1 9.29 0.05 . 1 . . . . 81 LEU H . 6947 1 669 . 1 1 81 81 LEU HD11 H 1 0.78 0.05 . 2 . . . . 81 LEU HD1 . 6947 1 670 . 1 1 81 81 LEU HD12 H 1 0.78 0.05 . 2 . . . . 81 LEU HD1 . 6947 1 671 . 1 1 81 81 LEU HD13 H 1 0.78 0.05 . 2 . . . . 81 LEU HD1 . 6947 1 672 . 1 1 81 81 LEU HD21 H 1 0.70 0.05 . 2 . . . . 81 LEU HD2 . 6947 1 673 . 1 1 81 81 LEU HD22 H 1 0.70 0.05 . 2 . . . . 81 LEU HD2 . 6947 1 674 . 1 1 81 81 LEU HD23 H 1 0.70 0.05 . 2 . . . . 81 LEU HD2 . 6947 1 675 . 1 1 81 81 LEU C C 13 173.77 0.5 . 1 . . . . 81 LEU C . 6947 1 676 . 1 1 81 81 LEU CA C 13 53.86 0.5 . 1 . . . . 81 LEU CA . 6947 1 677 . 1 1 81 81 LEU CB C 13 39.52 0.5 . 1 . . . . 81 LEU CB . 6947 1 678 . 1 1 81 81 LEU CD1 C 13 23.58 0.5 . 2 . . . . 81 LEU CD1 . 6947 1 679 . 1 1 81 81 LEU CD2 C 13 25.86 0.5 . 2 . . . . 81 LEU CD2 . 6947 1 680 . 1 1 81 81 LEU N N 15 130.01 0.1 . 1 . . . . 81 LEU N . 6947 1 681 . 1 1 82 82 THR H H 1 7.87 0.05 . 1 . . . . 82 THR H . 6947 1 682 . 1 1 82 82 THR HA H 1 4.37 0.05 . 1 . . . . 82 THR HA . 6947 1 683 . 1 1 82 82 THR HB H 1 3.81 0.05 . 1 . . . . 82 THR HB . 6947 1 684 . 1 1 82 82 THR HG21 H 1 1.09 0.05 . 1 . . . . 82 THR HG2 . 6947 1 685 . 1 1 82 82 THR HG22 H 1 1.09 0.05 . 1 . . . . 82 THR HG2 . 6947 1 686 . 1 1 82 82 THR HG23 H 1 1.09 0.05 . 1 . . . . 82 THR HG2 . 6947 1 687 . 1 1 82 82 THR C C 13 172.43 0.5 . 1 . . . . 82 THR C . 6947 1 688 . 1 1 82 82 THR CA C 13 60.80 0.5 . 1 . . . . 82 THR CA . 6947 1 689 . 1 1 82 82 THR CB C 13 70.32 0.5 . 1 . . . . 82 THR CB . 6947 1 690 . 1 1 82 82 THR CG2 C 13 21.24 0.5 . 1 . . . . 82 THR CG2 . 6947 1 691 . 1 1 82 82 THR N N 15 124.23 0.1 . 1 . . . . 82 THR N . 6947 1 692 . 1 1 83 83 GLN H H 1 8.21 0.05 . 1 . . . . 83 GLN H . 6947 1 693 . 1 1 83 83 GLN HA H 1 4.20 0.05 . 1 . . . . 83 GLN HA . 6947 1 694 . 1 1 83 83 GLN HB2 H 1 1.94 0.05 . 2 . . . . 83 GLN HB2 . 6947 1 695 . 1 1 83 83 GLN HG2 H 1 2.22 0.05 . 2 . . . . 83 GLN HG2 . 6947 1 696 . 1 1 83 83 GLN HG3 H 1 2.36 0.05 . 2 . . . . 83 GLN HG3 . 6947 1 697 . 1 1 83 83 GLN C C 13 175.87 0.5 . 1 . . . . 83 GLN C . 6947 1 698 . 1 1 83 83 GLN CA C 13 55.57 0.5 . 1 . . . . 83 GLN CA . 6947 1 699 . 1 1 83 83 GLN CB C 13 28.59 0.5 . 1 . . . . 83 GLN CB . 6947 1 700 . 1 1 83 83 GLN CG C 13 33.25 0.5 . 1 . . . . 83 GLN CG . 6947 1 701 . 1 1 83 83 GLN N N 15 125.43 0.1 . 1 . . . . 83 GLN N . 6947 1 702 . 1 1 84 84 GLN H H 1 8.58 0.05 . 1 . . . . 84 GLN H . 6947 1 703 . 1 1 84 84 GLN HA H 1 4.54 0.05 . 1 . . . . 84 GLN HA . 6947 1 704 . 1 1 84 84 GLN HG2 H 1 2.28 0.05 . 1 . . . . 84 GLN HG2 . 6947 1 705 . 1 1 84 84 GLN C C 13 175.32 0.5 . 1 . . . . 84 GLN C . 6947 1 706 . 1 1 84 84 GLN CA C 13 53.40 0.5 . 1 . . . . 84 GLN CA . 6947 1 707 . 1 1 84 84 GLN CB C 13 31.22 0.5 . 1 . . . . 84 GLN CB . 6947 1 708 . 1 1 84 84 GLN CG C 13 32.92 0.5 . 1 . . . . 84 GLN CG . 6947 1 709 . 1 1 84 84 GLN N N 15 121.87 0.1 . 1 . . . . 84 GLN N . 6947 1 710 . 1 1 85 85 HIS H H 1 8.61 0.05 . 1 . . . . 85 HIS H . 6947 1 711 . 1 1 85 85 HIS C C 13 176.77 0.5 . 1 . . . . 85 HIS C . 6947 1 712 . 1 1 85 85 HIS CA C 13 55.84 0.5 . 1 . . . . 85 HIS CA . 6947 1 713 . 1 1 85 85 HIS CB C 13 32.21 0.5 . 1 . . . . 85 HIS CB . 6947 1 714 . 1 1 85 85 HIS N N 15 124.84 0.1 . 1 . . . . 85 HIS N . 6947 1 715 . 1 1 86 86 HIS H H 1 8.24 0.05 . 1 . . . . 86 HIS H . 6947 1 716 . 1 1 86 86 HIS C C 13 176.40 0.5 . 1 . . . . 86 HIS C . 6947 1 717 . 1 1 86 86 HIS CA C 13 55.88 0.5 . 1 . . . . 86 HIS CA . 6947 1 718 . 1 1 86 86 HIS CB C 13 32.55 0.5 . 1 . . . . 86 HIS CB . 6947 1 719 . 1 1 86 86 HIS N N 15 122.31 0.1 . 1 . . . . 86 HIS N . 6947 1 720 . 1 1 87 87 HIS C C 13 173.93 0.5 . 1 . . . . 87 HIS C . 6947 1 721 . 1 1 87 87 HIS CA C 13 54.86 0.5 . 1 . . . . 87 HIS CA . 6947 1 722 . 1 1 88 88 ASP H H 1 8.05 0.05 . 1 . . . . 88 ASP H . 6947 1 723 . 1 1 88 88 ASP C C 13 174.69 0.5 . 1 . . . . 88 ASP C . 6947 1 724 . 1 1 88 88 ASP CA C 13 53.26 0.5 . 1 . . . . 88 ASP CA . 6947 1 725 . 1 1 88 88 ASP CB C 13 40.77 0.5 . 1 . . . . 88 ASP CB . 6947 1 726 . 1 1 88 88 ASP N N 15 120.24 0.1 . 1 . . . . 88 ASP N . 6947 1 727 . 1 1 89 89 HIS H H 1 7.05 0.05 . 1 . . . . 89 HIS H . 6947 1 728 . 1 1 89 89 HIS C C 13 172.55 0.5 . 1 . . . . 89 HIS C . 6947 1 729 . 1 1 89 89 HIS CA C 13 55.91 0.5 . 1 . . . . 89 HIS CA . 6947 1 730 . 1 1 89 89 HIS CB C 13 33.03 0.5 . 1 . . . . 89 HIS CB . 6947 1 731 . 1 1 89 89 HIS N N 15 113.56 0.1 . 1 . . . . 89 HIS N . 6947 1 732 . 1 1 90 90 LEU H H 1 9.37 0.05 . 1 . . . . 90 LEU H . 6947 1 733 . 1 1 90 90 LEU C C 13 173.18 0.5 . 1 . . . . 90 LEU C . 6947 1 734 . 1 1 90 90 LEU CA C 13 52.70 0.5 . 1 . . . . 90 LEU CA . 6947 1 735 . 1 1 90 90 LEU CB C 13 42.59 0.5 . 1 . . . . 90 LEU CB . 6947 1 736 . 1 1 90 90 LEU N N 15 127.42 0.1 . 1 . . . . 90 LEU N . 6947 1 737 . 1 1 91 91 ILE H H 1 9.06 0.05 . 1 . . . . 91 ILE H . 6947 1 738 . 1 1 91 91 ILE HB H 1 1.68 0.05 . 1 . . . . 91 ILE HB . 6947 1 739 . 1 1 91 91 ILE HG12 H 1 1.12 0.05 . 2 . . . . 91 ILE HG12 . 6947 1 740 . 1 1 91 91 ILE HG13 H 1 1.42 0.05 . 2 . . . . 91 ILE HG13 . 6947 1 741 . 1 1 91 91 ILE HG21 H 1 0.76 0.05 . 1 . . . . 91 ILE HG2 . 6947 1 742 . 1 1 91 91 ILE HG22 H 1 0.76 0.05 . 1 . . . . 91 ILE HG2 . 6947 1 743 . 1 1 91 91 ILE HG23 H 1 0.76 0.05 . 1 . . . . 91 ILE HG2 . 6947 1 744 . 1 1 91 91 ILE HD11 H 1 0.77 0.05 . 1 . . . . 91 ILE HD1 . 6947 1 745 . 1 1 91 91 ILE HD12 H 1 0.77 0.05 . 1 . . . . 91 ILE HD1 . 6947 1 746 . 1 1 91 91 ILE HD13 H 1 0.77 0.05 . 1 . . . . 91 ILE HD1 . 6947 1 747 . 1 1 91 91 ILE C C 13 174.51 0.5 . 1 . . . . 91 ILE C . 6947 1 748 . 1 1 91 91 ILE CA C 13 59.54 0.5 . 1 . . . . 91 ILE CA . 6947 1 749 . 1 1 91 91 ILE CB C 13 40.27 0.5 . 1 . . . . 91 ILE CB . 6947 1 750 . 1 1 91 91 ILE CG1 C 13 29.49 0.5 . 1 . . . . 91 ILE CG1 . 6947 1 751 . 1 1 91 91 ILE CG2 C 13 17.00 0.5 . 1 . . . . 91 ILE CG2 . 6947 1 752 . 1 1 91 91 ILE CD1 C 13 14.20 0.5 . 1 . . . . 91 ILE CD1 . 6947 1 753 . 1 1 91 91 ILE N N 15 127.87 0.1 . 1 . . . . 91 ILE N . 6947 1 754 . 1 1 92 92 CYS H H 1 8.18 0.05 . 1 . . . . 92 CYS H . 6947 1 755 . 1 1 92 92 CYS C C 13 177.14 0.5 . 1 . . . . 92 CYS C . 6947 1 756 . 1 1 92 92 CYS CA C 13 57.36 0.5 . 1 . . . . 92 CYS CA . 6947 1 757 . 1 1 92 92 CYS CB C 13 30.71 0.5 . 1 . . . . 92 CYS CB . 6947 1 758 . 1 1 92 92 CYS N N 15 127.16 0.1 . 1 . . . . 92 CYS N . 6947 1 759 . 1 1 93 93 LEU H H 1 9.19 0.05 . 1 . . . . 93 LEU H . 6947 1 760 . 1 1 93 93 LEU C C 13 175.08 0.5 . 1 . . . . 93 LEU C . 6947 1 761 . 1 1 93 93 LEU CA C 13 54.81 0.5 . 1 . . . . 93 LEU CA . 6947 1 762 . 1 1 93 93 LEU CB C 13 40.52 0.5 . 1 . . . . 93 LEU CB . 6947 1 763 . 1 1 93 93 LEU CG C 13 24.11 0.5 . 1 . . . . 93 LEU CG . 6947 1 764 . 1 1 93 93 LEU CD2 C 13 20.29 0.5 . 2 . . . . 93 LEU CD2 . 6947 1 765 . 1 1 93 93 LEU N N 15 127.83 0.1 . 1 . . . . 93 LEU N . 6947 1 766 . 1 1 94 94 ASP H H 1 9.57 0.05 . 1 . . . . 94 ASP H . 6947 1 767 . 1 1 94 94 ASP C C 13 176.57 0.5 . 1 . . . . 94 ASP C . 6947 1 768 . 1 1 94 94 ASP CA C 13 56.12 0.5 . 1 . . . . 94 ASP CA . 6947 1 769 . 1 1 94 94 ASP CB C 13 41.63 0.5 . 1 . . . . 94 ASP CB . 6947 1 770 . 1 1 94 94 ASP N N 15 120.25 0.1 . 1 . . . . 94 ASP N . 6947 1 771 . 1 1 95 95 CYS H H 1 8.08 0.05 . 1 . . . . 95 CYS H . 6947 1 772 . 1 1 95 95 CYS HB2 H 1 3.19 0.05 . 2 . . . . 95 CYS HB2 . 6947 1 773 . 1 1 95 95 CYS HB3 H 1 3.29 0.05 . 2 . . . . 95 CYS HB3 . 6947 1 774 . 1 1 95 95 CYS C C 13 177.46 0.5 . 1 . . . . 95 CYS C . 6947 1 775 . 1 1 95 95 CYS CA C 13 57.36 0.5 . 1 . . . . 95 CYS CA . 6947 1 776 . 1 1 95 95 CYS CB C 13 32.02 0.5 . 1 . . . . 95 CYS CB . 6947 1 777 . 1 1 95 95 CYS N N 15 115.55 0.1 . 1 . . . . 95 CYS N . 6947 1 778 . 1 1 96 96 GLY H H 1 8.29 0.05 . 1 . . . . 96 GLY H . 6947 1 779 . 1 1 96 96 GLY HA2 H 1 3.80 0.05 . 2 . . . . 96 GLY HA2 . 6947 1 780 . 1 1 96 96 GLY C C 13 173.38 0.5 . 1 . . . . 96 GLY C . 6947 1 781 . 1 1 96 96 GLY CA C 13 45.63 0.5 . 1 . . . . 96 GLY CA . 6947 1 782 . 1 1 96 96 GLY N N 15 115.89 0.1 . 1 . . . . 96 GLY N . 6947 1 783 . 1 1 97 97 LYS H H 1 8.65 0.05 . 1 . . . . 97 LYS H . 6947 1 784 . 1 1 97 97 LYS C C 13 173.71 0.5 . 1 . . . . 97 LYS C . 6947 1 785 . 1 1 97 97 LYS CA C 13 57.69 0.5 . 1 . . . . 97 LYS CA . 6947 1 786 . 1 1 97 97 LYS CB C 13 33.29 0.5 . 1 . . . . 97 LYS CB . 6947 1 787 . 1 1 97 97 LYS CG C 13 25.23 0.5 . 1 . . . . 97 LYS CG . 6947 1 788 . 1 1 97 97 LYS CD C 13 28.92 0.5 . 1 . . . . 97 LYS CD . 6947 1 789 . 1 1 97 97 LYS N N 15 124.31 0.1 . 1 . . . . 97 LYS N . 6947 1 790 . 1 1 98 98 VAL H H 1 8.05 0.05 . 1 . . . . 98 VAL H . 6947 1 791 . 1 1 98 98 VAL HG11 H 1 0.92 0.05 . 2 . . . . 98 VAL HG1 . 6947 1 792 . 1 1 98 98 VAL HG12 H 1 0.92 0.05 . 2 . . . . 98 VAL HG1 . 6947 1 793 . 1 1 98 98 VAL HG13 H 1 0.92 0.05 . 2 . . . . 98 VAL HG1 . 6947 1 794 . 1 1 98 98 VAL HG21 H 1 1.12 0.05 . 2 . . . . 98 VAL HG2 . 6947 1 795 . 1 1 98 98 VAL HG22 H 1 1.12 0.05 . 2 . . . . 98 VAL HG2 . 6947 1 796 . 1 1 98 98 VAL HG23 H 1 1.12 0.05 . 2 . . . . 98 VAL HG2 . 6947 1 797 . 1 1 98 98 VAL C C 13 175.71 0.5 . 1 . . . . 98 VAL C . 6947 1 798 . 1 1 98 98 VAL CA C 13 60.69 0.5 . 1 . . . . 98 VAL CA . 6947 1 799 . 1 1 98 98 VAL CB C 13 32.76 0.5 . 1 . . . . 98 VAL CB . 6947 1 800 . 1 1 98 98 VAL CG1 C 13 21.43 0.5 . 2 . . . . 98 VAL CG1 . 6947 1 801 . 1 1 98 98 VAL CG2 C 13 20.87 0.5 . 2 . . . . 98 VAL CG2 . 6947 1 802 . 1 1 98 98 VAL N N 15 122.42 0.1 . 1 . . . . 98 VAL N . 6947 1 803 . 1 1 99 99 ILE H H 1 9.92 0.05 . 1 . . . . 99 ILE H . 6947 1 804 . 1 1 99 99 ILE HA H 1 4.23 0.05 . 1 . . . . 99 ILE HA . 6947 1 805 . 1 1 99 99 ILE HB H 1 1.59 0.05 . 1 . . . . 99 ILE HB . 6947 1 806 . 1 1 99 99 ILE HG12 H 1 1.04 0.05 . 2 . . . . 99 ILE HG12 . 6947 1 807 . 1 1 99 99 ILE HG13 H 1 1.21 0.05 . 2 . . . . 99 ILE HG13 . 6947 1 808 . 1 1 99 99 ILE HG21 H 1 0.34 0.05 . 1 . . . . 99 ILE HG2 . 6947 1 809 . 1 1 99 99 ILE HG22 H 1 0.34 0.05 . 1 . . . . 99 ILE HG2 . 6947 1 810 . 1 1 99 99 ILE HG23 H 1 0.34 0.05 . 1 . . . . 99 ILE HG2 . 6947 1 811 . 1 1 99 99 ILE HD11 H 1 0.58 0.05 . 1 . . . . 99 ILE HD1 . 6947 1 812 . 1 1 99 99 ILE HD12 H 1 0.58 0.05 . 1 . . . . 99 ILE HD1 . 6947 1 813 . 1 1 99 99 ILE HD13 H 1 0.58 0.05 . 1 . . . . 99 ILE HD1 . 6947 1 814 . 1 1 99 99 ILE C C 13 175.42 0.5 . 1 . . . . 99 ILE C . 6947 1 815 . 1 1 99 99 ILE CA C 13 59.67 0.5 . 1 . . . . 99 ILE CA . 6947 1 816 . 1 1 99 99 ILE CB C 13 39.48 0.5 . 1 . . . . 99 ILE CB . 6947 1 817 . 1 1 99 99 ILE CG1 C 13 28.00 0.5 . 1 . . . . 99 ILE CG1 . 6947 1 818 . 1 1 99 99 ILE CG2 C 13 16.52 0.5 . 1 . . . . 99 ILE CG2 . 6947 1 819 . 1 1 99 99 ILE CD1 C 13 13.95 0.5 . 1 . . . . 99 ILE CD1 . 6947 1 820 . 1 1 99 99 ILE N N 15 131.44 0.1 . 1 . . . . 99 ILE N . 6947 1 821 . 1 1 100 100 GLU H H 1 8.49 0.05 . 1 . . . . 100 GLU H . 6947 1 822 . 1 1 100 100 GLU HA H 1 4.98 0.05 . 1 . . . . 100 GLU HA . 6947 1 823 . 1 1 100 100 GLU HB2 H 1 1.82 0.05 . 2 . . . . 100 GLU HB2 . 6947 1 824 . 1 1 100 100 GLU HG2 H 1 1.92 0.05 . 2 . . . . 100 GLU HG2 . 6947 1 825 . 1 1 100 100 GLU HG3 H 1 2.20 0.05 . 2 . . . . 100 GLU HG3 . 6947 1 826 . 1 1 100 100 GLU C C 13 176.38 0.5 . 1 . . . . 100 GLU C . 6947 1 827 . 1 1 100 100 GLU CA C 13 54.27 0.5 . 1 . . . . 100 GLU CA . 6947 1 828 . 1 1 100 100 GLU CB C 13 30.19 0.5 . 1 . . . . 100 GLU CB . 6947 1 829 . 1 1 100 100 GLU CG C 13 36.23 0.5 . 1 . . . . 100 GLU CG . 6947 1 830 . 1 1 100 100 GLU N N 15 127.20 0.1 . 1 . . . . 100 GLU N . 6947 1 831 . 1 1 101 101 PHE H H 1 8.51 0.05 . 1 . . . . 101 PHE H . 6947 1 832 . 1 1 101 101 PHE HB2 H 1 2.66 0.05 . 2 . . . . 101 PHE HB2 . 6947 1 833 . 1 1 101 101 PHE C C 13 171.97 0.5 . 1 . . . . 101 PHE C . 6947 1 834 . 1 1 101 101 PHE CA C 13 55.87 0.5 . 1 . . . . 101 PHE CA . 6947 1 835 . 1 1 101 101 PHE CB C 13 41.58 0.5 . 1 . . . . 101 PHE CB . 6947 1 836 . 1 1 101 101 PHE N N 15 120.02 0.1 . 1 . . . . 101 PHE N . 6947 1 837 . 1 1 102 102 SER H H 1 8.23 0.05 . 1 . . . . 102 SER H . 6947 1 838 . 1 1 102 102 SER HA H 1 4.55 0.05 . 1 . . . . 102 SER HA . 6947 1 839 . 1 1 102 102 SER HB2 H 1 3.73 0.05 . 2 . . . . 102 SER HB2 . 6947 1 840 . 1 1 102 102 SER C C 13 173.19 0.5 . 1 . . . . 102 SER C . 6947 1 841 . 1 1 102 102 SER CA C 13 57.67 0.5 . 1 . . . . 102 SER CA . 6947 1 842 . 1 1 102 102 SER CB C 13 64.86 0.5 . 1 . . . . 102 SER CB . 6947 1 843 . 1 1 102 102 SER N N 15 113.35 0.1 . 1 . . . . 102 SER N . 6947 1 844 . 1 1 103 103 ASP H H 1 9.82 0.05 . 1 . . . . 103 ASP H . 6947 1 845 . 1 1 103 103 ASP C C 13 174.90 0.5 . 1 . . . . 103 ASP C . 6947 1 846 . 1 1 103 103 ASP CA C 13 53.66 0.5 . 1 . . . . 103 ASP CA . 6947 1 847 . 1 1 103 103 ASP CB C 13 45.21 0.5 . 1 . . . . 103 ASP CB . 6947 1 848 . 1 1 103 103 ASP N N 15 126.79 0.1 . 1 . . . . 103 ASP N . 6947 1 849 . 1 1 105 105 SER C C 13 177.83 0.5 . 1 . . . . 105 SER C . 6947 1 850 . 1 1 105 105 SER CA C 13 61.58 0.5 . 1 . . . . 105 SER CA . 6947 1 851 . 1 1 106 106 ILE H H 1 8.59 0.05 . 1 . . . . 106 ILE H . 6947 1 852 . 1 1 106 106 ILE HA H 1 3.66 0.05 . 1 . . . . 106 ILE HA . 6947 1 853 . 1 1 106 106 ILE HB H 1 2.09 0.05 . 1 . . . . 106 ILE HB . 6947 1 854 . 1 1 106 106 ILE HG12 H 1 1.08 0.05 . 2 . . . . 106 ILE HG12 . 6947 1 855 . 1 1 106 106 ILE HG13 H 1 1.96 0.05 . 2 . . . . 106 ILE HG13 . 6947 1 856 . 1 1 106 106 ILE HG21 H 1 0.91 0.05 . 1 . . . . 106 ILE HG2 . 6947 1 857 . 1 1 106 106 ILE HG22 H 1 0.91 0.05 . 1 . . . . 106 ILE HG2 . 6947 1 858 . 1 1 106 106 ILE HG23 H 1 0.91 0.05 . 1 . . . . 106 ILE HG2 . 6947 1 859 . 1 1 106 106 ILE HD11 H 1 0.94 0.05 . 1 . . . . 106 ILE HD1 . 6947 1 860 . 1 1 106 106 ILE HD12 H 1 0.94 0.05 . 1 . . . . 106 ILE HD1 . 6947 1 861 . 1 1 106 106 ILE HD13 H 1 0.94 0.05 . 1 . . . . 106 ILE HD1 . 6947 1 862 . 1 1 106 106 ILE C C 13 177.76 0.5 . 1 . . . . 106 ILE C . 6947 1 863 . 1 1 106 106 ILE CA C 13 65.56 0.5 . 1 . . . . 106 ILE CA . 6947 1 864 . 1 1 106 106 ILE CG1 C 13 29.65 0.5 . 1 . . . . 106 ILE CG1 . 6947 1 865 . 1 1 106 106 ILE CG2 C 13 17.02 0.5 . 1 . . . . 106 ILE CG2 . 6947 1 866 . 1 1 106 106 ILE CD1 C 13 13.00 0.5 . 1 . . . . 106 ILE CD1 . 6947 1 867 . 1 1 106 106 ILE N N 15 124.40 0.1 . 1 . . . . 106 ILE N . 6947 1 868 . 1 1 107 107 GLU H H 1 7.82 0.05 . 1 . . . . 107 GLU H . 6947 1 869 . 1 1 107 107 GLU HA H 1 3.74 0.05 . 1 . . . . 107 GLU HA . 6947 1 870 . 1 1 107 107 GLU HG2 H 1 2.05 0.05 . 1 . . . . 107 GLU HG2 . 6947 1 871 . 1 1 107 107 GLU HG3 H 1 2.44 0.05 . 1 . . . . 107 GLU HG3 . 6947 1 872 . 1 1 107 107 GLU C C 13 178.78 0.5 . 1 . . . . 107 GLU C . 6947 1 873 . 1 1 107 107 GLU CA C 13 59.32 0.5 . 1 . . . . 107 GLU CA . 6947 1 874 . 1 1 107 107 GLU CG C 13 36.03 0.5 . 1 . . . . 107 GLU CG . 6947 1 875 . 1 1 107 107 GLU N N 15 119.94 0.1 . 1 . . . . 107 GLU N . 6947 1 876 . 1 1 108 108 ALA H H 1 8.05 0.05 . 1 . . . . 108 ALA H . 6947 1 877 . 1 1 108 108 ALA HA H 1 4.05 0.05 . 1 . . . . 108 ALA HA . 6947 1 878 . 1 1 108 108 ALA HB1 H 1 1.52 0.05 . 1 . . . . 108 ALA HB . 6947 1 879 . 1 1 108 108 ALA HB2 H 1 1.52 0.05 . 1 . . . . 108 ALA HB . 6947 1 880 . 1 1 108 108 ALA HB3 H 1 1.52 0.05 . 1 . . . . 108 ALA HB . 6947 1 881 . 1 1 108 108 ALA C C 13 180.80 0.5 . 1 . . . . 108 ALA C . 6947 1 882 . 1 1 108 108 ALA CA C 13 54.55 0.5 . 1 . . . . 108 ALA CA . 6947 1 883 . 1 1 108 108 ALA CB C 13 17.52 0.5 . 1 . . . . 108 ALA CB . 6947 1 884 . 1 1 108 108 ALA N N 15 120.20 0.1 . 1 . . . . 108 ALA N . 6947 1 885 . 1 1 109 109 ARG H H 1 7.70 0.05 . 1 . . . . 109 ARG H . 6947 1 886 . 1 1 109 109 ARG C C 13 178.81 0.5 . 1 . . . . 109 ARG C . 6947 1 887 . 1 1 109 109 ARG CA C 13 56.50 0.5 . 1 . . . . 109 ARG CA . 6947 1 888 . 1 1 109 109 ARG CB C 13 28.12 0.5 . 1 . . . . 109 ARG CB . 6947 1 889 . 1 1 109 109 ARG N N 15 118.16 0.1 . 1 . . . . 109 ARG N . 6947 1 890 . 1 1 110 110 GLN H H 1 8.50 0.05 . 1 . . . . 110 GLN H . 6947 1 891 . 1 1 110 110 GLN C C 13 177.77 0.5 . 1 . . . . 110 GLN C . 6947 1 892 . 1 1 110 110 GLN CA C 13 58.76 0.5 . 1 . . . . 110 GLN CA . 6947 1 893 . 1 1 110 110 GLN CB C 13 27.07 0.5 . 1 . . . . 110 GLN CB . 6947 1 894 . 1 1 110 110 GLN N N 15 118.01 0.1 . 1 . . . . 110 GLN N . 6947 1 895 . 1 1 111 111 ARG H H 1 7.76 0.05 . 1 . . . . 111 ARG H . 6947 1 896 . 1 1 111 111 ARG C C 13 179.38 0.5 . 1 . . . . 111 ARG C . 6947 1 897 . 1 1 111 111 ARG CA C 13 59.83 0.5 . 1 . . . . 111 ARG CA . 6947 1 898 . 1 1 111 111 ARG CB C 13 29.40 0.5 . 1 . . . . 111 ARG CB . 6947 1 899 . 1 1 111 111 ARG N N 15 117.01 0.1 . 1 . . . . 111 ARG N . 6947 1 900 . 1 1 112 112 GLU H H 1 7.69 0.05 . 1 . . . . 112 GLU H . 6947 1 901 . 1 1 112 112 GLU HA H 1 4.10 0.05 . 1 . . . . 112 GLU HA . 6947 1 902 . 1 1 112 112 GLU HB2 H 1 2.07 0.05 . 2 . . . . 112 GLU HB2 . 6947 1 903 . 1 1 112 112 GLU HB3 H 1 2.31 0.05 . 2 . . . . 112 GLU HB3 . 6947 1 904 . 1 1 112 112 GLU HG2 H 1 2.24 0.05 . 2 . . . . 112 GLU HG2 . 6947 1 905 . 1 1 112 112 GLU HG3 H 1 2.51 0.05 . 2 . . . . 112 GLU HG3 . 6947 1 906 . 1 1 112 112 GLU C C 13 179.44 0.5 . 1 . . . . 112 GLU C . 6947 1 907 . 1 1 112 112 GLU CA C 13 58.68 0.5 . 1 . . . . 112 GLU CA . 6947 1 908 . 1 1 112 112 GLU CB C 13 29.38 0.5 . 1 . . . . 112 GLU CB . 6947 1 909 . 1 1 112 112 GLU CG C 13 35.82 0.5 . 1 . . . . 112 GLU CG . 6947 1 910 . 1 1 112 112 GLU N N 15 120.55 0.1 . 1 . . . . 112 GLU N . 6947 1 911 . 1 1 113 113 ILE H H 1 8.32 0.05 . 1 . . . . 113 ILE H . 6947 1 912 . 1 1 113 113 ILE HB H 1 1.45 0.05 . 1 . . . . 113 ILE HB . 6947 1 913 . 1 1 113 113 ILE HG12 H 1 1.46 0.05 . 2 . . . . 113 ILE HG12 . 6947 1 914 . 1 1 113 113 ILE HG13 H 1 1.53 0.05 . 2 . . . . 113 ILE HG13 . 6947 1 915 . 1 1 113 113 ILE HG21 H 1 0.03 0.05 . 1 . . . . 113 ILE HG2 . 6947 1 916 . 1 1 113 113 ILE HG22 H 1 0.03 0.05 . 1 . . . . 113 ILE HG2 . 6947 1 917 . 1 1 113 113 ILE HG23 H 1 0.03 0.05 . 1 . . . . 113 ILE HG2 . 6947 1 918 . 1 1 113 113 ILE HD11 H 1 0.65 0.05 . 1 . . . . 113 ILE HD1 . 6947 1 919 . 1 1 113 113 ILE HD12 H 1 0.65 0.05 . 1 . . . . 113 ILE HD1 . 6947 1 920 . 1 1 113 113 ILE HD13 H 1 0.65 0.05 . 1 . . . . 113 ILE HD1 . 6947 1 921 . 1 1 113 113 ILE C C 13 177.96 0.5 . 1 . . . . 113 ILE C . 6947 1 922 . 1 1 113 113 ILE CA C 13 64.35 0.5 . 1 . . . . 113 ILE CA . 6947 1 923 . 1 1 113 113 ILE CB C 13 37.00 0.5 . 1 . . . . 113 ILE CB . 6947 1 924 . 1 1 113 113 ILE CG1 C 13 28.18 0.5 . 1 . . . . 113 ILE CG1 . 6947 1 925 . 1 1 113 113 ILE CG2 C 13 14.77 0.5 . 1 . . . . 113 ILE CG2 . 6947 1 926 . 1 1 113 113 ILE CD1 C 13 13.97 0.5 . 1 . . . . 113 ILE CD1 . 6947 1 927 . 1 1 113 113 ILE N N 15 121.85 0.1 . 1 . . . . 113 ILE N . 6947 1 928 . 1 1 114 114 ALA H H 1 7.83 0.05 . 1 . . . . 114 ALA H . 6947 1 929 . 1 1 114 114 ALA HA H 1 3.97 0.05 . 1 . . . . 114 ALA HA . 6947 1 930 . 1 1 114 114 ALA HB1 H 1 1.32 0.05 . 1 . . . . 114 ALA HB . 6947 1 931 . 1 1 114 114 ALA HB2 H 1 1.32 0.05 . 1 . . . . 114 ALA HB . 6947 1 932 . 1 1 114 114 ALA HB3 H 1 1.32 0.05 . 1 . . . . 114 ALA HB . 6947 1 933 . 1 1 114 114 ALA C C 13 180.06 0.5 . 1 . . . . 114 ALA C . 6947 1 934 . 1 1 114 114 ALA CA C 13 54.79 0.5 . 1 . . . . 114 ALA CA . 6947 1 935 . 1 1 114 114 ALA CB C 13 17.29 0.5 . 1 . . . . 114 ALA CB . 6947 1 936 . 1 1 114 114 ALA N N 15 120.01 0.1 . 1 . . . . 114 ALA N . 6947 1 937 . 1 1 115 115 ALA H H 1 8.21 0.05 . 1 . . . . 115 ALA H . 6947 1 938 . 1 1 115 115 ALA HA H 1 4.17 0.05 . 1 . . . . 115 ALA HA . 6947 1 939 . 1 1 115 115 ALA HB1 H 1 1.56 0.05 . 1 . . . . 115 ALA HB . 6947 1 940 . 1 1 115 115 ALA HB2 H 1 1.56 0.05 . 1 . . . . 115 ALA HB . 6947 1 941 . 1 1 115 115 ALA HB3 H 1 1.56 0.05 . 1 . . . . 115 ALA HB . 6947 1 942 . 1 1 115 115 ALA CA C 13 54.44 0.5 . 1 . . . . 115 ALA CA . 6947 1 943 . 1 1 115 115 ALA CB C 13 17.49 0.5 . 1 . . . . 115 ALA CB . 6947 1 944 . 1 1 115 115 ALA N N 15 120.67 0.1 . 1 . . . . 115 ALA N . 6947 1 945 . 1 1 116 116 LYS HA H 1 4.03 0.05 . 1 . . . . 116 LYS HA . 6947 1 946 . 1 1 116 116 LYS HB2 H 1 1.89 0.05 . 2 . . . . 116 LYS HB2 . 6947 1 947 . 1 1 116 116 LYS HD2 H 1 1.60 0.05 . 2 . . . . 116 LYS HD2 . 6947 1 948 . 1 1 116 116 LYS HE2 H 1 2.88 0.05 . 2 . . . . 116 LYS HE2 . 6947 1 949 . 1 1 116 116 LYS C C 13 176.46 0.5 . 1 . . . . 116 LYS C . 6947 1 950 . 1 1 116 116 LYS CA C 13 57.95 0.5 . 1 . . . . 116 LYS CA . 6947 1 951 . 1 1 116 116 LYS CB C 13 31.23 0.5 . 1 . . . . 116 LYS CB . 6947 1 952 . 1 1 116 116 LYS CG C 13 24.17 0.5 . 1 . . . . 116 LYS CG . 6947 1 953 . 1 1 116 116 LYS CD C 13 28.63 0.5 . 1 . . . . 116 LYS CD . 6947 1 954 . 1 1 116 116 LYS CE C 13 41.25 0.5 . 1 . . . . 116 LYS CE . 6947 1 955 . 1 1 117 117 HIS H H 1 7.31 0.05 . 1 . . . . 117 HIS H . 6947 1 956 . 1 1 117 117 HIS C C 13 175.27 0.5 . 1 . . . . 117 HIS C . 6947 1 957 . 1 1 117 117 HIS CA C 13 55.21 0.5 . 1 . . . . 117 HIS CA . 6947 1 958 . 1 1 117 117 HIS CB C 13 28.87 0.5 . 1 . . . . 117 HIS CB . 6947 1 959 . 1 1 117 117 HIS N N 15 114.10 0.1 . 1 . . . . 117 HIS N . 6947 1 960 . 1 1 118 118 GLY H H 1 8.09 0.05 . 1 . . . . 118 GLY H . 6947 1 961 . 1 1 118 118 GLY HA2 H 1 4.15 0.05 . 2 . . . . 118 GLY HA2 . 6947 1 962 . 1 1 118 118 GLY C C 13 175.01 0.5 . 1 . . . . 118 GLY C . 6947 1 963 . 1 1 118 118 GLY CA C 13 46.72 0.5 . 1 . . . . 118 GLY CA . 6947 1 964 . 1 1 118 118 GLY N N 15 108.63 0.1 . 1 . . . . 118 GLY N . 6947 1 965 . 1 1 119 119 ILE H H 1 8.29 0.05 . 1 . . . . 119 ILE H . 6947 1 966 . 1 1 119 119 ILE HB H 1 1.46 0.05 . 1 . . . . 119 ILE HB . 6947 1 967 . 1 1 119 119 ILE HG12 H 1 1.43 0.05 . 2 . . . . 119 ILE HG12 . 6947 1 968 . 1 1 119 119 ILE HG21 H 1 0.57 0.05 . 1 . . . . 119 ILE HG2 . 6947 1 969 . 1 1 119 119 ILE HG22 H 1 0.57 0.05 . 1 . . . . 119 ILE HG2 . 6947 1 970 . 1 1 119 119 ILE HG23 H 1 0.57 0.05 . 1 . . . . 119 ILE HG2 . 6947 1 971 . 1 1 119 119 ILE HD11 H 1 0.22 0.05 . 1 . . . . 119 ILE HD1 . 6947 1 972 . 1 1 119 119 ILE HD12 H 1 0.22 0.05 . 1 . . . . 119 ILE HD1 . 6947 1 973 . 1 1 119 119 ILE HD13 H 1 0.22 0.05 . 1 . . . . 119 ILE HD1 . 6947 1 974 . 1 1 119 119 ILE C C 13 174.08 0.5 . 1 . . . . 119 ILE C . 6947 1 975 . 1 1 119 119 ILE CA C 13 59.45 0.5 . 1 . . . . 119 ILE CA . 6947 1 976 . 1 1 119 119 ILE CB C 13 40.55 0.5 . 1 . . . . 119 ILE CB . 6947 1 977 . 1 1 119 119 ILE CG1 C 13 29.08 0.5 . 1 . . . . 119 ILE CG1 . 6947 1 978 . 1 1 119 119 ILE CG2 C 13 15.82 0.5 . 1 . . . . 119 ILE CG2 . 6947 1 979 . 1 1 119 119 ILE CD1 C 13 12.94 0.5 . 1 . . . . 119 ILE CD1 . 6947 1 980 . 1 1 119 119 ILE N N 15 121.96 0.1 . 1 . . . . 119 ILE N . 6947 1 981 . 1 1 120 120 ARG H H 1 9.40 0.05 . 1 . . . . 120 ARG H . 6947 1 982 . 1 1 120 120 ARG C C 13 174.85 0.5 . 1 . . . . 120 ARG C . 6947 1 983 . 1 1 120 120 ARG CA C 13 53.70 0.5 . 1 . . . . 120 ARG CA . 6947 1 984 . 1 1 120 120 ARG CB C 13 29.93 0.5 . 1 . . . . 120 ARG CB . 6947 1 985 . 1 1 120 120 ARG N N 15 129.15 0.1 . 1 . . . . 120 ARG N . 6947 1 986 . 1 1 121 121 LEU H H 1 8.31 0.05 . 1 . . . . 121 LEU H . 6947 1 987 . 1 1 121 121 LEU HA H 1 4.15 0.05 . 1 . . . . 121 LEU HA . 6947 1 988 . 1 1 121 121 LEU HB2 H 1 1.57 0.05 . 2 . . . . 121 LEU HB2 . 6947 1 989 . 1 1 121 121 LEU HD11 H 1 0.86 0.05 . 2 . . . . 121 LEU HD1 . 6947 1 990 . 1 1 121 121 LEU HD12 H 1 0.86 0.05 . 2 . . . . 121 LEU HD1 . 6947 1 991 . 1 1 121 121 LEU HD13 H 1 0.86 0.05 . 2 . . . . 121 LEU HD1 . 6947 1 992 . 1 1 121 121 LEU HD21 H 1 0.90 0.05 . 2 . . . . 121 LEU HD2 . 6947 1 993 . 1 1 121 121 LEU HD22 H 1 0.90 0.05 . 2 . . . . 121 LEU HD2 . 6947 1 994 . 1 1 121 121 LEU HD23 H 1 0.90 0.05 . 2 . . . . 121 LEU HD2 . 6947 1 995 . 1 1 121 121 LEU C C 13 177.03 0.5 . 1 . . . . 121 LEU C . 6947 1 996 . 1 1 121 121 LEU CA C 13 55.89 0.5 . 1 . . . . 121 LEU CA . 6947 1 997 . 1 1 121 121 LEU CB C 13 42.40 0.5 . 1 . . . . 121 LEU CB . 6947 1 998 . 1 1 121 121 LEU N N 15 128.61 0.1 . 1 . . . . 121 LEU N . 6947 1 999 . 1 1 122 122 THR H H 1 9.72 0.05 . 1 . . . . 122 THR H . 6947 1 1000 . 1 1 122 122 THR HG21 H 1 1.33 0.05 . 1 . . . . 122 THR HG2 . 6947 1 1001 . 1 1 122 122 THR HG22 H 1 1.33 0.05 . 1 . . . . 122 THR HG2 . 6947 1 1002 . 1 1 122 122 THR HG23 H 1 1.33 0.05 . 1 . . . . 122 THR HG2 . 6947 1 1003 . 1 1 122 122 THR C C 13 174.68 0.5 . 1 . . . . 122 THR C . 6947 1 1004 . 1 1 122 122 THR CA C 13 62.19 0.5 . 1 . . . . 122 THR CA . 6947 1 1005 . 1 1 122 122 THR CB C 13 70.27 0.5 . 1 . . . . 122 THR CB . 6947 1 1006 . 1 1 122 122 THR CG2 C 13 20.85 0.5 . 1 . . . . 122 THR CG2 . 6947 1 1007 . 1 1 122 122 THR N N 15 116.18 0.1 . 1 . . . . 122 THR N . 6947 1 1008 . 1 1 123 123 ASN H H 1 8.29 0.05 . 1 . . . . 123 ASN H . 6947 1 1009 . 1 1 123 123 ASN C C 13 172.83 0.5 . 1 . . . . 123 ASN C . 6947 1 1010 . 1 1 123 123 ASN CA C 13 52.91 0.5 . 1 . . . . 123 ASN CA . 6947 1 1011 . 1 1 123 123 ASN CB C 13 43.13 0.5 . 1 . . . . 123 ASN CB . 6947 1 1012 . 1 1 123 123 ASN N N 15 118.17 0.1 . 1 . . . . 123 ASN N . 6947 1 1013 . 1 1 124 124 HIS H H 1 9.01 0.05 . 1 . . . . 124 HIS H . 6947 1 1014 . 1 1 124 124 HIS C C 13 172.02 0.5 . 1 . . . . 124 HIS C . 6947 1 1015 . 1 1 124 124 HIS CA C 13 55.96 0.5 . 1 . . . . 124 HIS CA . 6947 1 1016 . 1 1 124 124 HIS CB C 13 33.23 0.5 . 1 . . . . 124 HIS CB . 6947 1 1017 . 1 1 124 124 HIS N N 15 115.64 0.1 . 1 . . . . 124 HIS N . 6947 1 1018 . 1 1 125 125 SER H H 1 9.47 0.05 . 1 . . . . 125 SER H . 6947 1 1019 . 1 1 125 125 SER C C 13 172.99 0.5 . 1 . . . . 125 SER C . 6947 1 1020 . 1 1 125 125 SER CA C 13 56.65 0.5 . 1 . . . . 125 SER CA . 6947 1 1021 . 1 1 125 125 SER CB C 13 65.12 0.5 . 1 . . . . 125 SER CB . 6947 1 1022 . 1 1 125 125 SER N N 15 113.01 0.1 . 1 . . . . 125 SER N . 6947 1 1023 . 1 1 126 126 LEU H H 1 9.61 0.05 . 1 . . . . 126 LEU H . 6947 1 1024 . 1 1 126 126 LEU C C 13 174.12 0.5 . 1 . . . . 126 LEU C . 6947 1 1025 . 1 1 126 126 LEU CA C 13 54.09 0.5 . 1 . . . . 126 LEU CA . 6947 1 1026 . 1 1 126 126 LEU CB C 13 43.65 0.5 . 1 . . . . 126 LEU CB . 6947 1 1027 . 1 1 126 126 LEU N N 15 130.28 0.1 . 1 . . . . 126 LEU N . 6947 1 1028 . 1 1 127 127 TYR H H 1 9.15 0.05 . 1 . . . . 127 TYR H . 6947 1 1029 . 1 1 127 127 TYR C C 13 174.64 0.5 . 1 . . . . 127 TYR C . 6947 1 1030 . 1 1 127 127 TYR CA C 13 56.65 0.5 . 1 . . . . 127 TYR CA . 6947 1 1031 . 1 1 127 127 TYR CB C 13 42.84 0.5 . 1 . . . . 127 TYR CB . 6947 1 1032 . 1 1 127 127 TYR N N 15 126.30 0.1 . 1 . . . . 127 TYR N . 6947 1 1033 . 1 1 128 128 LEU H H 1 9.25 0.05 . 1 . . . . 128 LEU H . 6947 1 1034 . 1 1 128 128 LEU HD11 H 1 1.05 0.05 . 2 . . . . 128 LEU HD1 . 6947 1 1035 . 1 1 128 128 LEU HD12 H 1 1.05 0.05 . 2 . . . . 128 LEU HD1 . 6947 1 1036 . 1 1 128 128 LEU HD13 H 1 1.05 0.05 . 2 . . . . 128 LEU HD1 . 6947 1 1037 . 1 1 128 128 LEU C C 13 174.55 0.5 . 1 . . . . 128 LEU C . 6947 1 1038 . 1 1 128 128 LEU CA C 13 52.78 0.5 . 1 . . . . 128 LEU CA . 6947 1 1039 . 1 1 128 128 LEU CB C 13 44.45 0.5 . 1 . . . . 128 LEU CB . 6947 1 1040 . 1 1 128 128 LEU CG C 13 26.33 0.5 . 1 . . . . 128 LEU CG . 6947 1 1041 . 1 1 128 128 LEU CD1 C 13 24.13 0.5 . 2 . . . . 128 LEU CD1 . 6947 1 1042 . 1 1 128 128 LEU N N 15 120.44 0.1 . 1 . . . . 128 LEU N . 6947 1 1043 . 1 1 129 129 TYR H H 1 8.95 0.05 . 1 . . . . 129 TYR H . 6947 1 1044 . 1 1 129 129 TYR C C 13 176.19 0.5 . 1 . . . . 129 TYR C . 6947 1 1045 . 1 1 129 129 TYR CA C 13 55.02 0.5 . 1 . . . . 129 TYR CA . 6947 1 1046 . 1 1 129 129 TYR CB C 13 42.33 0.5 . 1 . . . . 129 TYR CB . 6947 1 1047 . 1 1 129 129 TYR N N 15 116.51 0.1 . 1 . . . . 129 TYR N . 6947 1 1048 . 1 1 130 130 GLY H H 1 8.11 0.05 . 1 . . . . 130 GLY H . 6947 1 1049 . 1 1 130 130 GLY C C 13 170.56 0.5 . 1 . . . . 130 GLY C . 6947 1 1050 . 1 1 130 130 GLY CA C 13 45.73 0.5 . 1 . . . . 130 GLY CA . 6947 1 1051 . 1 1 130 130 GLY N N 15 106.87 0.1 . 1 . . . . 130 GLY N . 6947 1 1052 . 1 1 131 131 HIS H H 1 7.80 0.05 . 1 . . . . 131 HIS H . 6947 1 1053 . 1 1 131 131 HIS C C 13 173.73 0.5 . 1 . . . . 131 HIS C . 6947 1 1054 . 1 1 131 131 HIS CA C 13 53.80 0.5 . 1 . . . . 131 HIS CA . 6947 1 1055 . 1 1 131 131 HIS CB C 13 32.03 0.5 . 1 . . . . 131 HIS CB . 6947 1 1056 . 1 1 131 131 HIS N N 15 116.44 0.1 . 1 . . . . 131 HIS N . 6947 1 1057 . 1 1 132 132 CYS H H 1 9.63 0.05 . 1 . . . . 132 CYS H . 6947 1 1058 . 1 1 132 132 CYS C C 13 176.37 0.5 . 1 . . . . 132 CYS C . 6947 1 1059 . 1 1 132 132 CYS CA C 13 60.30 0.5 . 1 . . . . 132 CYS CA . 6947 1 1060 . 1 1 132 132 CYS CB C 13 28.61 0.5 . 1 . . . . 132 CYS CB . 6947 1 1061 . 1 1 132 132 CYS N N 15 124.03 0.1 . 1 . . . . 132 CYS N . 6947 1 1062 . 1 1 133 133 ALA H H 1 8.67 0.05 . 1 . . . . 133 ALA H . 6947 1 1063 . 1 1 133 133 ALA HA H 1 4.17 0.05 . 1 . . . . 133 ALA HA . 6947 1 1064 . 1 1 133 133 ALA HB1 H 1 1.33 0.05 . 1 . . . . 133 ALA HB . 6947 1 1065 . 1 1 133 133 ALA HB2 H 1 1.33 0.05 . 1 . . . . 133 ALA HB . 6947 1 1066 . 1 1 133 133 ALA HB3 H 1 1.33 0.05 . 1 . . . . 133 ALA HB . 6947 1 1067 . 1 1 133 133 ALA C C 13 177.26 0.5 . 1 . . . . 133 ALA C . 6947 1 1068 . 1 1 133 133 ALA CA C 13 53.87 0.5 . 1 . . . . 133 ALA CA . 6947 1 1069 . 1 1 133 133 ALA CB C 13 19.02 0.5 . 1 . . . . 133 ALA CB . 6947 1 1070 . 1 1 133 133 ALA N N 15 130.90 0.1 . 1 . . . . 133 ALA N . 6947 1 1071 . 1 1 134 134 GLU H H 1 7.96 0.05 . 1 . . . . 134 GLU H . 6947 1 1072 . 1 1 134 134 GLU HA H 1 4.52 0.05 . 1 . . . . 134 GLU HA . 6947 1 1073 . 1 1 134 134 GLU HB2 H 1 1.89 0.05 . 2 . . . . 134 GLU HB2 . 6947 1 1074 . 1 1 134 134 GLU HB3 H 1 1.98 0.05 . 2 . . . . 134 GLU HB3 . 6947 1 1075 . 1 1 134 134 GLU HG2 H 1 2.15 0.05 . 2 . . . . 134 GLU HG2 . 6947 1 1076 . 1 1 134 134 GLU HG3 H 1 2.22 0.05 . 2 . . . . 134 GLU HG3 . 6947 1 1077 . 1 1 134 134 GLU C C 13 175.14 0.5 . 1 . . . . 134 GLU C . 6947 1 1078 . 1 1 134 134 GLU CA C 13 54.90 0.5 . 1 . . . . 134 GLU CA . 6947 1 1079 . 1 1 134 134 GLU CB C 13 31.45 0.5 . 1 . . . . 134 GLU CB . 6947 1 1080 . 1 1 134 134 GLU CG C 13 35.31 0.5 . 1 . . . . 134 GLU CG . 6947 1 1081 . 1 1 134 134 GLU N N 15 116.51 0.1 . 1 . . . . 134 GLU N . 6947 1 1082 . 1 1 135 135 GLY H H 1 8.52 0.05 . 1 . . . . 135 GLY H . 6947 1 1083 . 1 1 135 135 GLY C C 13 172.91 0.5 . 1 . . . . 135 GLY C . 6947 1 1084 . 1 1 135 135 GLY CA C 13 44.69 0.5 . 1 . . . . 135 GLY CA . 6947 1 1085 . 1 1 135 135 GLY N N 15 111.46 0.1 . 1 . . . . 135 GLY N . 6947 1 1086 . 1 1 136 136 ASP H H 1 8.39 0.05 . 1 . . . . 136 ASP H . 6947 1 1087 . 1 1 136 136 ASP HB2 H 1 2.52 0.05 . 2 . . . . 136 ASP HB2 . 6947 1 1088 . 1 1 136 136 ASP C C 13 176.41 0.5 . 1 . . . . 136 ASP C . 6947 1 1089 . 1 1 136 136 ASP CA C 13 52.62 0.5 . 1 . . . . 136 ASP CA . 6947 1 1090 . 1 1 136 136 ASP CB C 13 40.82 0.5 . 1 . . . . 136 ASP CB . 6947 1 1091 . 1 1 136 136 ASP N N 15 119.80 0.1 . 1 . . . . 136 ASP N . 6947 1 1092 . 1 1 137 137 CYS H H 1 7.96 0.05 . 1 . . . . 137 CYS H . 6947 1 1093 . 1 1 137 137 CYS C C 13 176.76 0.5 . 1 . . . . 137 CYS C . 6947 1 1094 . 1 1 137 137 CYS CA C 13 59.07 0.5 . 1 . . . . 137 CYS CA . 6947 1 1095 . 1 1 137 137 CYS CB C 13 30.75 0.5 . 1 . . . . 137 CYS CB . 6947 1 1096 . 1 1 137 137 CYS N N 15 126.34 0.1 . 1 . . . . 137 CYS N . 6947 1 1097 . 1 1 138 138 ARG H H 1 8.22 0.05 . 1 . . . . 138 ARG H . 6947 1 1098 . 1 1 138 138 ARG C C 13 177.73 0.5 . 1 . . . . 138 ARG C . 6947 1 1099 . 1 1 138 138 ARG CA C 13 58.21 0.5 . 1 . . . . 138 ARG CA . 6947 1 1100 . 1 1 138 138 ARG CB C 13 28.65 0.5 . 1 . . . . 138 ARG CB . 6947 1 1101 . 1 1 138 138 ARG N N 15 122.31 0.1 . 1 . . . . 138 ARG N . 6947 1 1102 . 1 1 139 139 GLU H H 1 7.58 0.05 . 1 . . . . 139 GLU H . 6947 1 1103 . 1 1 139 139 GLU HA H 1 4.42 0.05 . 1 . . . . 139 GLU HA . 6947 1 1104 . 1 1 139 139 GLU HB2 H 1 1.83 0.05 . 2 . . . . 139 GLU HB2 . 6947 1 1105 . 1 1 139 139 GLU HB3 H 1 2.22 0.05 . 2 . . . . 139 GLU HB3 . 6947 1 1106 . 1 1 139 139 GLU HG2 H 1 2.22 0.05 . 2 . . . . 139 GLU HG2 . 6947 1 1107 . 1 1 139 139 GLU C C 13 175.42 0.5 . 1 . . . . 139 GLU C . 6947 1 1108 . 1 1 139 139 GLU CA C 13 54.99 0.5 . 1 . . . . 139 GLU CA . 6947 1 1109 . 1 1 139 139 GLU CB C 13 29.93 0.5 . 1 . . . . 139 GLU CB . 6947 1 1110 . 1 1 139 139 GLU CG C 13 35.41 0.5 . 1 . . . . 139 GLU CG . 6947 1 1111 . 1 1 139 139 GLU N N 15 115.15 0.1 . 1 . . . . 139 GLU N . 6947 1 1112 . 1 1 140 140 ASP H H 1 7.35 0.05 . 1 . . . . 140 ASP H . 6947 1 1113 . 1 1 140 140 ASP C C 13 176.22 0.5 . 1 . . . . 140 ASP C . 6947 1 1114 . 1 1 140 140 ASP CA C 13 52.23 0.5 . 1 . . . . 140 ASP CA . 6947 1 1115 . 1 1 140 140 ASP CB C 13 41.32 0.5 . 1 . . . . 140 ASP CB . 6947 1 1116 . 1 1 140 140 ASP N N 15 118.81 0.1 . 1 . . . . 140 ASP N . 6947 1 1117 . 1 1 141 141 GLU H H 1 8.95 0.05 . 1 . . . . 141 GLU H . 6947 1 1118 . 1 1 141 141 GLU HA H 1 4.12 0.05 . 1 . . . . 141 GLU HA . 6947 1 1119 . 1 1 141 141 GLU HB2 H 1 1.84 0.05 . 1 . . . . 141 GLU HB2 . 6947 1 1120 . 1 1 141 141 GLU HG2 H 1 1.90 0.05 . 2 . . . . 141 GLU HG2 . 6947 1 1121 . 1 1 141 141 GLU HG3 H 1 1.97 0.05 . 2 . . . . 141 GLU HG3 . 6947 1 1122 . 1 1 141 141 GLU C C 13 177.00 0.5 . 1 . . . . 141 GLU C . 6947 1 1123 . 1 1 141 141 GLU CA C 13 57.50 0.5 . 1 . . . . 141 GLU CA . 6947 1 1124 . 1 1 141 141 GLU CB C 13 28.72 0.5 . 1 . . . . 141 GLU CB . 6947 1 1125 . 1 1 141 141 GLU CG C 13 35.20 0.5 . 1 . . . . 141 GLU CG . 6947 1 1126 . 1 1 141 141 GLU N N 15 125.05 0.1 . 1 . . . . 141 GLU N . 6947 1 1127 . 1 1 142 142 HIS H H 1 8.46 0.05 . 1 . . . . 142 HIS H . 6947 1 1128 . 1 1 142 142 HIS C C 13 175.69 0.5 . 1 . . . . 142 HIS C . 6947 1 1129 . 1 1 142 142 HIS CA C 13 54.52 0.5 . 1 . . . . 142 HIS CA . 6947 1 1130 . 1 1 142 142 HIS N N 15 117.24 0.1 . 1 . . . . 142 HIS N . 6947 1 1131 . 1 1 143 143 ALA H H 1 7.37 0.05 . 1 . . . . 143 ALA H . 6947 1 1132 . 1 1 143 143 ALA HA H 1 3.91 0.05 . 1 . . . . 143 ALA HA . 6947 1 1133 . 1 1 143 143 ALA HB1 H 1 1.18 0.05 . 1 . . . . 143 ALA HB . 6947 1 1134 . 1 1 143 143 ALA HB2 H 1 1.18 0.05 . 1 . . . . 143 ALA HB . 6947 1 1135 . 1 1 143 143 ALA HB3 H 1 1.18 0.05 . 1 . . . . 143 ALA HB . 6947 1 1136 . 1 1 143 143 ALA C C 13 178.94 0.5 . 1 . . . . 143 ALA C . 6947 1 1137 . 1 1 143 143 ALA CA C 13 54.12 0.5 . 1 . . . . 143 ALA CA . 6947 1 1138 . 1 1 143 143 ALA CB C 13 19.07 0.5 . 1 . . . . 143 ALA CB . 6947 1 1139 . 1 1 143 143 ALA N N 15 122.84 0.1 . 1 . . . . 143 ALA N . 6947 1 1140 . 1 1 144 144 HIS H H 1 8.82 0.05 . 1 . . . . 144 HIS H . 6947 1 1141 . 1 1 144 144 HIS C C 13 175.12 0.5 . 1 . . . . 144 HIS C . 6947 1 1142 . 1 1 144 144 HIS CA C 13 54.15 0.5 . 1 . . . . 144 HIS CA . 6947 1 1143 . 1 1 144 144 HIS N N 15 111.60 0.1 . 1 . . . . 144 HIS N . 6947 1 1144 . 1 1 145 145 GLU H H 1 7.43 0.05 . 1 . . . . 145 GLU H . 6947 1 1145 . 1 1 145 145 GLU HA H 1 4.38 0.05 . 1 . . . . 145 GLU HA . 6947 1 1146 . 1 1 145 145 GLU HB2 H 1 2.07 0.05 . 2 . . . . 145 GLU HB2 . 6947 1 1147 . 1 1 145 145 GLU HB3 H 1 2.16 0.05 . 2 . . . . 145 GLU HB3 . 6947 1 1148 . 1 1 145 145 GLU HG2 H 1 2.41 0.05 . 2 . . . . 145 GLU HG2 . 6947 1 1149 . 1 1 145 145 GLU C C 13 177.26 0.5 . 1 . . . . 145 GLU C . 6947 1 1150 . 1 1 145 145 GLU CA C 13 56.50 0.5 . 1 . . . . 145 GLU CA . 6947 1 1151 . 1 1 145 145 GLU CB C 13 29.65 0.5 . 1 . . . . 145 GLU CB . 6947 1 1152 . 1 1 145 145 GLU CG C 13 36.18 0.5 . 1 . . . . 145 GLU CG . 6947 1 1153 . 1 1 145 145 GLU N N 15 118.87 0.1 . 1 . . . . 145 GLU N . 6947 1 1154 . 1 1 146 146 GLY H H 1 8.72 0.05 . 1 . . . . 146 GLY H . 6947 1 1155 . 1 1 146 146 GLY HA2 H 1 3.56 0.05 . 2 . . . . 146 GLY HA2 . 6947 1 1156 . 1 1 146 146 GLY HA3 H 1 3.82 0.05 . 2 . . . . 146 GLY HA3 . 6947 1 1157 . 1 1 146 146 GLY C C 13 173.42 0.5 . 1 . . . . 146 GLY C . 6947 1 1158 . 1 1 146 146 GLY CA C 13 45.03 0.5 . 1 . . . . 146 GLY CA . 6947 1 1159 . 1 1 146 146 GLY N N 15 109.68 0.1 . 1 . . . . 146 GLY N . 6947 1 1160 . 1 1 147 147 LYS H H 1 7.86 0.05 . 1 . . . . 147 LYS H . 6947 1 1161 . 1 1 147 147 LYS HA H 1 4.15 0.05 . 1 . . . . 147 LYS HA . 6947 1 1162 . 1 1 147 147 LYS HG2 H 1 1.38 0.05 . 2 . . . . 147 LYS HG2 . 6947 1 1163 . 1 1 147 147 LYS HE2 H 1 2.96 0.05 . 2 . . . . 147 LYS HE2 . 6947 1 1164 . 1 1 147 147 LYS C C 13 173.46 0.5 . 1 . . . . 147 LYS C . 6947 1 1165 . 1 1 147 147 LYS CA C 13 56.85 0.5 . 1 . . . . 147 LYS CA . 6947 1 1166 . 1 1 147 147 LYS CB C 13 33.05 0.5 . 1 . . . . 147 LYS CB . 6947 1 1167 . 1 1 147 147 LYS CG C 13 28.45 0.5 . 1 . . . . 147 LYS CG . 6947 1 1168 . 1 1 147 147 LYS CD C 13 28.45 0.5 . 1 . . . . 147 LYS CD . 6947 1 1169 . 1 1 147 147 LYS CE C 13 41.44 0.5 . 1 . . . . 147 LYS CE . 6947 1 1170 . 1 1 147 147 LYS N N 15 126.99 0.1 . 1 . . . . 147 LYS N . 6947 1 stop_ save_