data_7406 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7406 _Entry.Title ; NMR resonance assignment of the Ccc2ab protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-06 _Entry.Accession_date 2007-09-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR resonance assignment of the two soluble Nterminal domains of the Ccc2 protein in the apo and Cu(i)-binded form' _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 Lucia Banci . . . 7406 2 Ivano Bertini . . . 7406 3 Christos Chasapis . T. . 7406 4 Antonio Rosato . . . 7406 5 Leonardo Tenroi . . . 7406 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 7406 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7406 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 7406 '15N chemical shifts' 128 7406 '1H chemical shifts' 128 7406 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-11-08 2007-09-06 update BMRB 'delete the outliers of 64 PHE CG 7.0, 64 PHE CZ 7.1, 46 TYR CG 6.8, 46 TYR CZ 6.5' 7406 1 . . 2008-06-25 2007-09-06 original author 'original release' 7406 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15461 'ccc2 (free form)' 7406 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7406 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17961510 _Citation.Full_citation . _Citation.Title 'Interaction of the two soluble metal-binding domains of yeast Ccc2 with copper(I)-Atx1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 364 _Citation.Journal_issue 3 _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 645 _Citation.Page_last 649 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 L. Banci . . . 7406 1 2 I. Bertini . . . 7406 1 3 C. Chasapis . T. . 7406 1 4 A. Rosato . . . 7406 1 5 L. Tenori . . . 7406 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Atx1 7406 1 Ccc2 7406 1 coppper 7406 1 'metal homeostasis' 7406 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7406 _Assembly.ID 1 _Assembly.Name ccc2 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic yes _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ccc2 1 $Ccc2 A . yes native no no . . . 7406 1 2 CU1 2 $CU1 B . no native no no . . . 7406 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 ccc2 1 CYS 13 13 SG . 2 CU1 2 CU1 1 1 CU . . 13 CYS SG . . . . CU 7406 1 2 coordination single . 1 ccc2 1 CYS 16 16 SG . 2 CU1 2 CU1 1 1 CU . . 16 CYS SG . . . . CU 7406 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ccc2 _Entity.Sf_category entity _Entity.Sf_framecode Ccc2 _Entity.Entry_ID 7406 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ccc2 _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 ; MREVILAVHGMTCSACTNTI NTQLRALKGVTKCDISLVTN ECQVTYDNEVTADSIKEIIE DCGFDCEILRDSEITAISTK EGLLSVQGMTCGSCVSTVTK QVEGIEGVESVVVSLVTEEC HVIYEPSKTTLETAREMIED CGFDSNIIMD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no BMRB 15461 . Ccc2 . . . . . 100.00 150 100.00 100.00 1.59e-100 . . . . 7406 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Yeast Ccc2 is a P-type ATPase responsible for transport of copper(I) from the cytosol to the trans-Golgi network' 7406 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 7406 1 2 . ARG . 7406 1 3 . GLU . 7406 1 4 . VAL . 7406 1 5 . ILE . 7406 1 6 . LEU . 7406 1 7 . ALA . 7406 1 8 . VAL . 7406 1 9 . HIS . 7406 1 10 . GLY . 7406 1 11 . MET . 7406 1 12 . THR . 7406 1 13 . CYS . 7406 1 14 . SER . 7406 1 15 . ALA . 7406 1 16 . CYS . 7406 1 17 . THR . 7406 1 18 . ASN . 7406 1 19 . THR . 7406 1 20 . ILE . 7406 1 21 . ASN . 7406 1 22 . THR . 7406 1 23 . GLN . 7406 1 24 . LEU . 7406 1 25 . ARG . 7406 1 26 . ALA . 7406 1 27 . LEU . 7406 1 28 . LYS . 7406 1 29 . GLY . 7406 1 30 . VAL . 7406 1 31 . THR . 7406 1 32 . LYS . 7406 1 33 . CYS . 7406 1 34 . ASP . 7406 1 35 . ILE . 7406 1 36 . SER . 7406 1 37 . LEU . 7406 1 38 . VAL . 7406 1 39 . THR . 7406 1 40 . ASN . 7406 1 41 . GLU . 7406 1 42 . CYS . 7406 1 43 . GLN . 7406 1 44 . VAL . 7406 1 45 . THR . 7406 1 46 . TYR . 7406 1 47 . ASP . 7406 1 48 . ASN . 7406 1 49 . GLU . 7406 1 50 . VAL . 7406 1 51 . THR . 7406 1 52 . ALA . 7406 1 53 . ASP . 7406 1 54 . SER . 7406 1 55 . ILE . 7406 1 56 . LYS . 7406 1 57 . GLU . 7406 1 58 . ILE . 7406 1 59 . ILE . 7406 1 60 . GLU . 7406 1 61 . ASP . 7406 1 62 . CYS . 7406 1 63 . GLY . 7406 1 64 . PHE . 7406 1 65 . ASP . 7406 1 66 . CYS . 7406 1 67 . GLU . 7406 1 68 . ILE . 7406 1 69 . LEU . 7406 1 70 . ARG . 7406 1 71 . ASP . 7406 1 72 . SER . 7406 1 73 . GLU . 7406 1 74 . ILE . 7406 1 75 . THR . 7406 1 76 . ALA . 7406 1 77 . ILE . 7406 1 78 . SER . 7406 1 79 . THR . 7406 1 80 . LYS . 7406 1 81 . GLU . 7406 1 82 . GLY . 7406 1 83 . LEU . 7406 1 84 . LEU . 7406 1 85 . SER . 7406 1 86 . VAL . 7406 1 87 . GLN . 7406 1 88 . GLY . 7406 1 89 . MET . 7406 1 90 . THR . 7406 1 91 . CYS . 7406 1 92 . GLY . 7406 1 93 . SER . 7406 1 94 . CYS . 7406 1 95 . VAL . 7406 1 96 . SER . 7406 1 97 . THR . 7406 1 98 . VAL . 7406 1 99 . THR . 7406 1 100 . LYS . 7406 1 101 . GLN . 7406 1 102 . VAL . 7406 1 103 . GLU . 7406 1 104 . GLY . 7406 1 105 . ILE . 7406 1 106 . GLU . 7406 1 107 . GLY . 7406 1 108 . VAL . 7406 1 109 . GLU . 7406 1 110 . SER . 7406 1 111 . VAL . 7406 1 112 . VAL . 7406 1 113 . VAL . 7406 1 114 . SER . 7406 1 115 . LEU . 7406 1 116 . VAL . 7406 1 117 . THR . 7406 1 118 . GLU . 7406 1 119 . GLU . 7406 1 120 . CYS . 7406 1 121 . HIS . 7406 1 122 . VAL . 7406 1 123 . ILE . 7406 1 124 . TYR . 7406 1 125 . GLU . 7406 1 126 . PRO . 7406 1 127 . SER . 7406 1 128 . LYS . 7406 1 129 . THR . 7406 1 130 . THR . 7406 1 131 . LEU . 7406 1 132 . GLU . 7406 1 133 . THR . 7406 1 134 . ALA . 7406 1 135 . ARG . 7406 1 136 . GLU . 7406 1 137 . MET . 7406 1 138 . ILE . 7406 1 139 . GLU . 7406 1 140 . ASP . 7406 1 141 . CYS . 7406 1 142 . GLY . 7406 1 143 . PHE . 7406 1 144 . ASP . 7406 1 145 . SER . 7406 1 146 . ASN . 7406 1 147 . ILE . 7406 1 148 . ILE . 7406 1 149 . MET . 7406 1 150 . ASP . 7406 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 . MET 1 1 7406 1 . ARG 2 2 7406 1 . GLU 3 3 7406 1 . VAL 4 4 7406 1 . ILE 5 5 7406 1 . LEU 6 6 7406 1 . ALA 7 7 7406 1 . VAL 8 8 7406 1 . HIS 9 9 7406 1 . GLY 10 10 7406 1 . MET 11 11 7406 1 . THR 12 12 7406 1 . CYS 13 13 7406 1 . SER 14 14 7406 1 . ALA 15 15 7406 1 . CYS 16 16 7406 1 . THR 17 17 7406 1 . ASN 18 18 7406 1 . THR 19 19 7406 1 . ILE 20 20 7406 1 . ASN 21 21 7406 1 . THR 22 22 7406 1 . GLN 23 23 7406 1 . LEU 24 24 7406 1 . ARG 25 25 7406 1 . ALA 26 26 7406 1 . LEU 27 27 7406 1 . LYS 28 28 7406 1 . GLY 29 29 7406 1 . VAL 30 30 7406 1 . THR 31 31 7406 1 . LYS 32 32 7406 1 . CYS 33 33 7406 1 . ASP 34 34 7406 1 . ILE 35 35 7406 1 . SER 36 36 7406 1 . LEU 37 37 7406 1 . VAL 38 38 7406 1 . THR 39 39 7406 1 . ASN 40 40 7406 1 . GLU 41 41 7406 1 . CYS 42 42 7406 1 . GLN 43 43 7406 1 . VAL 44 44 7406 1 . THR 45 45 7406 1 . TYR 46 46 7406 1 . ASP 47 47 7406 1 . ASN 48 48 7406 1 . GLU 49 49 7406 1 . VAL 50 50 7406 1 . THR 51 51 7406 1 . ALA 52 52 7406 1 . ASP 53 53 7406 1 . SER 54 54 7406 1 . ILE 55 55 7406 1 . LYS 56 56 7406 1 . GLU 57 57 7406 1 . ILE 58 58 7406 1 . ILE 59 59 7406 1 . GLU 60 60 7406 1 . ASP 61 61 7406 1 . CYS 62 62 7406 1 . GLY 63 63 7406 1 . PHE 64 64 7406 1 . ASP 65 65 7406 1 . CYS 66 66 7406 1 . GLU 67 67 7406 1 . ILE 68 68 7406 1 . LEU 69 69 7406 1 . ARG 70 70 7406 1 . ASP 71 71 7406 1 . SER 72 72 7406 1 . GLU 73 73 7406 1 . ILE 74 74 7406 1 . THR 75 75 7406 1 . ALA 76 76 7406 1 . ILE 77 77 7406 1 . SER 78 78 7406 1 . THR 79 79 7406 1 . LYS 80 80 7406 1 . GLU 81 81 7406 1 . GLY 82 82 7406 1 . LEU 83 83 7406 1 . LEU 84 84 7406 1 . SER 85 85 7406 1 . VAL 86 86 7406 1 . GLN 87 87 7406 1 . GLY 88 88 7406 1 . MET 89 89 7406 1 . THR 90 90 7406 1 . CYS 91 91 7406 1 . GLY 92 92 7406 1 . SER 93 93 7406 1 . CYS 94 94 7406 1 . VAL 95 95 7406 1 . SER 96 96 7406 1 . THR 97 97 7406 1 . VAL 98 98 7406 1 . THR 99 99 7406 1 . LYS 100 100 7406 1 . GLN 101 101 7406 1 . VAL 102 102 7406 1 . GLU 103 103 7406 1 . GLY 104 104 7406 1 . ILE 105 105 7406 1 . GLU 106 106 7406 1 . GLY 107 107 7406 1 . VAL 108 108 7406 1 . GLU 109 109 7406 1 . SER 110 110 7406 1 . VAL 111 111 7406 1 . VAL 112 112 7406 1 . VAL 113 113 7406 1 . SER 114 114 7406 1 . LEU 115 115 7406 1 . VAL 116 116 7406 1 . THR 117 117 7406 1 . GLU 118 118 7406 1 . GLU 119 119 7406 1 . CYS 120 120 7406 1 . HIS 121 121 7406 1 . VAL 122 122 7406 1 . ILE 123 123 7406 1 . TYR 124 124 7406 1 . GLU 125 125 7406 1 . PRO 126 126 7406 1 . SER 127 127 7406 1 . LYS 128 128 7406 1 . THR 129 129 7406 1 . THR 130 130 7406 1 . LEU 131 131 7406 1 . GLU 132 132 7406 1 . THR 133 133 7406 1 . ALA 134 134 7406 1 . ARG 135 135 7406 1 . GLU 136 136 7406 1 . MET 137 137 7406 1 . ILE 138 138 7406 1 . GLU 139 139 7406 1 . ASP 140 140 7406 1 . CYS 141 141 7406 1 . GLY 142 142 7406 1 . PHE 143 143 7406 1 . ASP 144 144 7406 1 . SER 145 145 7406 1 . ASN 146 146 7406 1 . ILE 147 147 7406 1 . ILE 148 148 7406 1 . MET 149 149 7406 1 . ASP 150 150 7406 1 stop_ save_ save_CU1 _Entity.Sf_category entity _Entity.Sf_framecode CU1 _Entity.Entry_ID 7406 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CU1 _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 CU1 _Entity.Nonpolymer_comp_label $chem_comp_CU1 _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 . CU1 . 7406 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 7406 _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 $Ccc2 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 7406 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 7406 _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 $Ccc2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 20b(+)' . . . 'A DNA segment corresponding to residues 1-150 of Ccc2 (Ccc2ab hereafter) was amplified by PCR and cloned into pET 20b(+) between the NcoI and XhoI restriction sites. The construct of two domains Ccc2ab has been expressed in Escherichia coli BL21(DE 3) in minimal medium cultures' . . 7406 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CU1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CU1 _Chem_comp.Entry_ID 7406 _Chem_comp.ID CU1 _Chem_comp.Provenance . _Chem_comp.Name 'COPPER (I) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CU1 _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Cu _Chem_comp.Formula_weight 63.546 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 20:07:43 2007 ; _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 [Cu+] SMILES CACTVS 2.87 7406 CU1 [Cu+] SMILES OpenEye/OEToolkits 1.4.2 7406 CU1 [Cu+] SMILES_CANONICAL CACTVS 2.87 7406 CU1 [Cu+] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 7406 CU1 InChI=1/Cu/q+1 INCHI InChi 1 7406 CU1 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 'copper(+1) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 7406 CU1 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 CU . CU . . CU . N . 1 . . . . . . . . . . . . . . . . . . . . . 7406 CU1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7406 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ccc2 '[U-100% 13C; U-100% 15N]' . . 1 $Ccc2 . . 0.2-0.5 . . mM . . . . 7406 1 2 CU1 . . . 2 $CU1 . . . . . mM . . . . 7406 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7406 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.00 . pH 7406 1 pressure 1 . atm 7406 1 temperature 298 . K 7406 1 viscosity 100 . mM 7406 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 7406 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 7406 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7406 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 7406 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'conventional multi dimensional NMR techniques based on triple resonance' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7406 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 7406 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 7406 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 7406 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 'conventional multi dimensional NMR techniques based on triple resonance' . . 7406 1 2 spectrometer_2 Bruker Avance . 700 . . . 7406 1 3 spectrometer_3 Bruker Avance . 800 . . . 7406 1 4 spectrometer_4 Bruker Avance . 900 . . . 7406 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 7406 _Experiment_list.ID 1 _Experiment_list.Details 'conventional multi dimensional NMR techniques based on triple resonance experiments.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7406 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 7406 _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 internal indirect 0.251449530 . . . . . . . . . 7406 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 7406 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 7406 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_Cu(I)_Ccc2ab _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Cu(I)_Ccc2ab _Assigned_chem_shift_list.Entry_ID 7406 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 7406 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 $TOPSPIN . . 7406 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 2 2 ARG H H 1 8.15 0.02 . 1 . . . . 2 ARG H . 7406 1 2 . 1 1 2 2 ARG CA C 13 53.9 0.3 . 1 . . . . 2 ARG CA . 7406 1 3 . 1 1 2 2 ARG CB C 13 27.9 0.3 . 1 . . . . 2 ARG CB . 7406 1 4 . 1 1 2 2 ARG N N 15 120.0 0.3 . 1 . . . . 2 ARG N . 7406 1 5 . 1 1 3 3 GLU H H 1 8.67 0.02 . 1 . . . . 3 GLU H . 7406 1 6 . 1 1 3 3 GLU CA C 13 51.7 0.3 . 1 . . . . 3 GLU CA . 7406 1 7 . 1 1 3 3 GLU CB C 13 31.0 0.3 . 1 . . . . 3 GLU CB . 7406 1 8 . 1 1 3 3 GLU N N 15 117.7 0.3 . 1 . . . . 3 GLU N . 7406 1 9 . 1 1 4 4 VAL H H 1 9.45 0.02 . 1 . . . . 4 VAL H . 7406 1 10 . 1 1 4 4 VAL CA C 13 54.9 0.3 . 1 . . . . 4 VAL CA . 7406 1 11 . 1 1 4 4 VAL CB C 13 31.1 0.3 . 1 . . . . 4 VAL CB . 7406 1 12 . 1 1 4 4 VAL N N 15 125.8 0.3 . 1 . . . . 4 VAL N . 7406 1 13 . 1 1 5 5 ILE H H 1 8.79 0.02 . 1 . . . . 5 ILE H . 7406 1 14 . 1 1 5 5 ILE CA C 13 56.6 0.3 . 1 . . . . 5 ILE CA . 7406 1 15 . 1 1 5 5 ILE CB C 13 36.0 0.3 . 1 . . . . 5 ILE CB . 7406 1 16 . 1 1 5 5 ILE N N 15 126.5 0.3 . 1 . . . . 5 ILE N . 7406 1 17 . 1 1 6 6 LEU H H 1 9.39 0.02 . 1 . . . . 6 LEU H . 7406 1 18 . 1 1 6 6 LEU CA C 13 51.8 0.3 . 1 . . . . 6 LEU CA . 7406 1 19 . 1 1 6 6 LEU CB C 13 41.4 0.3 . 1 . . . . 6 LEU CB . 7406 1 20 . 1 1 6 6 LEU N N 15 125.4 0.3 . 1 . . . . 6 LEU N . 7406 1 21 . 1 1 7 7 ALA H H 1 8.70 0.02 . 1 . . . . 7 ALA H . 7406 1 22 . 1 1 7 7 ALA CA C 13 48.5 0.3 . 1 . . . . 7 ALA CA . 7406 1 23 . 1 1 7 7 ALA CB C 13 17.0 0.3 . 1 . . . . 7 ALA CB . 7406 1 24 . 1 1 7 7 ALA N N 15 125.0 0.3 . 1 . . . . 7 ALA N . 7406 1 25 . 1 1 8 8 VAL H H 1 8.08 0.02 . 1 . . . . 8 VAL H . 7406 1 26 . 1 1 8 8 VAL CA C 13 58.6 0.3 . 1 . . . . 8 VAL CA . 7406 1 27 . 1 1 8 8 VAL CB C 13 30.3 0.3 . 1 . . . . 8 VAL CB . 7406 1 28 . 1 1 8 8 VAL N N 15 121.5 0.3 . 1 . . . . 8 VAL N . 7406 1 29 . 1 1 9 9 HIS H H 1 9.00 0.02 . 1 . . . . 9 HIS H . 7406 1 30 . 1 1 9 9 HIS CA C 13 52.0 0.3 . 1 . . . . 9 HIS CA . 7406 1 31 . 1 1 9 9 HIS CB C 13 28.0 0.3 . 1 . . . . 9 HIS CB . 7406 1 32 . 1 1 9 9 HIS N N 15 127.0 0.3 . 1 . . . . 9 HIS N . 7406 1 33 . 1 1 10 10 GLY H H 1 8.56 0.02 . 1 . . . . 10 GLY H . 7406 1 34 . 1 1 10 10 GLY CA C 13 42.7 0.3 . 1 . . . . 10 GLY CA . 7406 1 35 . 1 1 10 10 GLY N N 15 109.2 0.3 . 1 . . . . 10 GLY N . 7406 1 36 . 1 1 11 11 MET H H 1 8.87 0.02 . 1 . . . . 11 MET H . 7406 1 37 . 1 1 11 11 MET CA C 13 53.4 0.3 . 1 . . . . 11 MET CA . 7406 1 38 . 1 1 11 11 MET CB C 13 30.5 0.3 . 1 . . . . 11 MET CB . 7406 1 39 . 1 1 11 11 MET N N 15 119.7 0.3 . 1 . . . . 11 MET N . 7406 1 40 . 1 1 12 12 THR H H 1 9.24 0.02 . 1 . . . . 12 THR H . 7406 1 41 . 1 1 12 12 THR CA C 13 59.2 0.3 . 1 . . . . 12 THR CA . 7406 1 42 . 1 1 12 12 THR CB C 13 68.0 0.3 . 1 . . . . 12 THR CB . 7406 1 43 . 1 1 12 12 THR N N 15 114.0 0.3 . 1 . . . . 12 THR N . 7406 1 44 . 1 1 15 15 ALA H H 1 8.51 0.02 . 1 . . . . 15 ALA H . 7406 1 45 . 1 1 15 15 ALA CA C 13 52.7 0.3 . 1 . . . . 15 ALA CA . 7406 1 46 . 1 1 15 15 ALA CB C 13 15.0 0.3 . 1 . . . . 15 ALA CB . 7406 1 47 . 1 1 15 15 ALA N N 15 126.4 0.3 . 1 . . . . 15 ALA N . 7406 1 48 . 1 1 16 16 CYS H H 1 7.73 0.02 . 1 . . . . 16 CYS H . 7406 1 49 . 1 1 16 16 CYS CA C 13 60.3 0.3 . 1 . . . . 16 CYS CA . 7406 1 50 . 1 1 16 16 CYS CB C 13 27.2 0.3 . 1 . . . . 16 CYS CB . 7406 1 51 . 1 1 16 16 CYS N N 15 120.1 0.3 . 1 . . . . 16 CYS N . 7406 1 52 . 1 1 17 17 THR H H 1 6.94 0.02 . 1 . . . . 17 THR H . 7406 1 53 . 1 1 17 17 THR CA C 13 62.0 0.3 . 1 . . . . 17 THR CA . 7406 1 54 . 1 1 17 17 THR CB C 13 64.6 0.3 . 1 . . . . 17 THR CB . 7406 1 55 . 1 1 17 17 THR N N 15 106.7 0.3 . 1 . . . . 17 THR N . 7406 1 56 . 1 1 19 19 THR H H 1 8.05 0.02 . 1 . . . . 19 THR H . 7406 1 57 . 1 1 19 19 THR CA C 13 64.4 0.3 . 1 . . . . 19 THR CA . 7406 1 58 . 1 1 19 19 THR CB C 13 65.8 0.3 . 1 . . . . 19 THR CB . 7406 1 59 . 1 1 19 19 THR N N 15 119.5 0.3 . 1 . . . . 19 THR N . 7406 1 60 . 1 1 20 20 ILE H H 1 7.26 0.02 . 1 . . . . 20 ILE H . 7406 1 61 . 1 1 20 20 ILE CA C 13 63.1 0.3 . 1 . . . . 20 ILE CA . 7406 1 62 . 1 1 20 20 ILE CB C 13 35.8 0.3 . 1 . . . . 20 ILE CB . 7406 1 63 . 1 1 20 20 ILE N N 15 120.0 0.3 . 1 . . . . 20 ILE N . 7406 1 64 . 1 1 21 21 ASN H H 1 8.33 0.02 . 1 . . . . 21 ASN H . 7406 1 65 . 1 1 21 21 ASN CA C 13 54.5 0.3 . 1 . . . . 21 ASN CA . 7406 1 66 . 1 1 21 21 ASN CB C 13 36.9 0.3 . 1 . . . . 21 ASN CB . 7406 1 67 . 1 1 21 21 ASN N N 15 116.9 0.3 . 1 . . . . 21 ASN N . 7406 1 68 . 1 1 22 22 THR H H 1 8.22 0.02 . 1 . . . . 22 THR H . 7406 1 69 . 1 1 22 22 THR CA C 13 64.2 0.3 . 1 . . . . 22 THR CA . 7406 1 70 . 1 1 22 22 THR CB C 13 66.0 0.3 . 1 . . . . 22 THR CB . 7406 1 71 . 1 1 22 22 THR N N 15 112.9 0.3 . 1 . . . . 22 THR N . 7406 1 72 . 1 1 23 23 GLN H H 1 7.66 0.02 . 1 . . . . 23 GLN H . 7406 1 73 . 1 1 23 23 GLN CA C 13 55.4 0.3 . 1 . . . . 23 GLN CA . 7406 1 74 . 1 1 23 23 GLN CB C 13 25.4 0.3 . 1 . . . . 23 GLN CB . 7406 1 75 . 1 1 23 23 GLN N N 15 118.6 0.3 . 1 . . . . 23 GLN N . 7406 1 76 . 1 1 24 24 LEU H H 1 8.34 0.02 . 1 . . . . 24 LEU H . 7406 1 77 . 1 1 24 24 LEU CA C 13 54.7 0.3 . 1 . . . . 24 LEU CA . 7406 1 78 . 1 1 24 24 LEU CB C 13 39.3 0.3 . 1 . . . . 24 LEU CB . 7406 1 79 . 1 1 24 24 LEU N N 15 118.1 0.3 . 1 . . . . 24 LEU N . 7406 1 80 . 1 1 25 25 ARG H H 1 8.13 0.02 . 1 . . . . 25 ARG H . 7406 1 81 . 1 1 25 25 ARG CA C 13 54.8 0.3 . 1 . . . . 25 ARG CA . 7406 1 82 . 1 1 25 25 ARG CB C 13 25.7 0.3 . 1 . . . . 25 ARG CB . 7406 1 83 . 1 1 25 25 ARG N N 15 113.9 0.3 . 1 . . . . 25 ARG N . 7406 1 84 . 1 1 26 26 ALA H H 1 6.88 0.02 . 1 . . . . 26 ALA H . 7406 1 85 . 1 1 26 26 ALA CA C 13 49.5 0.3 . 1 . . . . 26 ALA CA . 7406 1 86 . 1 1 26 26 ALA CB C 13 15.9 0.3 . 1 . . . . 26 ALA CB . 7406 1 87 . 1 1 26 26 ALA N N 15 118.8 0.3 . 1 . . . . 26 ALA N . 7406 1 88 . 1 1 27 27 LEU H H 1 7.35 0.02 . 1 . . . . 27 LEU H . 7406 1 89 . 1 1 27 27 LEU CA C 13 51.4 0.3 . 1 . . . . 27 LEU CA . 7406 1 90 . 1 1 27 27 LEU CB C 13 38.8 0.3 . 1 . . . . 27 LEU CB . 7406 1 91 . 1 1 27 27 LEU N N 15 122.3 0.3 . 1 . . . . 27 LEU N . 7406 1 92 . 1 1 28 28 LYS H H 1 8.35 0.02 . 1 . . . . 28 LYS H . 7406 1 93 . 1 1 28 28 LYS CA C 13 55.5 0.3 . 1 . . . . 28 LYS CA . 7406 1 94 . 1 1 28 28 LYS CB C 13 27.4 0.3 . 1 . . . . 28 LYS CB . 7406 1 95 . 1 1 28 28 LYS N N 15 128.4 0.3 . 1 . . . . 28 LYS N . 7406 1 96 . 1 1 29 29 GLY H H 1 8.37 0.02 . 1 . . . . 29 GLY H . 7406 1 97 . 1 1 29 29 GLY CA C 13 42.2 0.3 . 1 . . . . 29 GLY CA . 7406 1 98 . 1 1 29 29 GLY N N 15 110.7 0.3 . 1 . . . . 29 GLY N . 7406 1 99 . 1 1 30 30 VAL H H 1 7.64 0.02 . 1 . . . . 30 VAL H . 7406 1 100 . 1 1 30 30 VAL CA C 13 60.9 0.3 . 1 . . . . 30 VAL CA . 7406 1 101 . 1 1 30 30 VAL CB C 13 28.3 0.3 . 1 . . . . 30 VAL CB . 7406 1 102 . 1 1 30 30 VAL N N 15 121.0 0.3 . 1 . . . . 30 VAL N . 7406 1 103 . 1 1 31 31 THR H H 1 8.95 0.02 . 1 . . . . 31 THR H . 7406 1 104 . 1 1 31 31 THR CA C 13 59.6 0.3 . 1 . . . . 31 THR CA . 7406 1 105 . 1 1 31 31 THR CB C 13 66.7 0.3 . 1 . . . . 31 THR CB . 7406 1 106 . 1 1 31 31 THR N N 15 120.7 0.3 . 1 . . . . 31 THR N . 7406 1 107 . 1 1 32 32 LYS H H 1 7.52 0.02 . 1 . . . . 32 LYS H . 7406 1 108 . 1 1 32 32 LYS CA C 13 53.9 0.3 . 1 . . . . 32 LYS CA . 7406 1 109 . 1 1 32 32 LYS CB C 13 33.0 0.3 . 1 . . . . 32 LYS CB . 7406 1 110 . 1 1 32 32 LYS N N 15 121.0 0.3 . 1 . . . . 32 LYS N . 7406 1 111 . 1 1 33 33 CYS H H 1 8.45 0.02 . 1 . . . . 33 CYS H . 7406 1 112 . 1 1 33 33 CYS CA C 13 55.0 0.3 . 1 . . . . 33 CYS CA . 7406 1 113 . 1 1 33 33 CYS CB C 13 25.9 0.3 . 1 . . . . 33 CYS CB . 7406 1 114 . 1 1 33 33 CYS N N 15 122.2 0.3 . 1 . . . . 33 CYS N . 7406 1 115 . 1 1 34 34 ASP H H 1 8.88 0.02 . 1 . . . . 34 ASP H . 7406 1 116 . 1 1 34 34 ASP CA C 13 51.0 0.3 . 1 . . . . 34 ASP CA . 7406 1 117 . 1 1 34 34 ASP CB C 13 41.9 0.3 . 1 . . . . 34 ASP CB . 7406 1 118 . 1 1 34 34 ASP N N 15 127.3 0.3 . 1 . . . . 34 ASP N . 7406 1 119 . 1 1 35 35 ILE H H 1 8.55 0.02 . 1 . . . . 35 ILE H . 7406 1 120 . 1 1 35 35 ILE CA C 13 57.6 0.3 . 1 . . . . 35 ILE CA . 7406 1 121 . 1 1 35 35 ILE CB C 13 37.9 0.3 . 1 . . . . 35 ILE CB . 7406 1 122 . 1 1 35 35 ILE N N 15 123.3 0.3 . 1 . . . . 35 ILE N . 7406 1 123 . 1 1 37 37 LEU H H 1 8.98 0.02 . 1 . . . . 37 LEU H . 7406 1 124 . 1 1 37 37 LEU CA C 13 53.0 0.3 . 1 . . . . 37 LEU CA . 7406 1 125 . 1 1 37 37 LEU CB C 13 38.9 0.3 . 1 . . . . 37 LEU CB . 7406 1 126 . 1 1 37 37 LEU N N 15 128.0 0.3 . 1 . . . . 37 LEU N . 7406 1 127 . 1 1 38 38 VAL H H 1 8.07 0.02 . 1 . . . . 38 VAL H . 7406 1 128 . 1 1 38 38 VAL CA C 13 62.2 0.3 . 1 . . . . 38 VAL CA . 7406 1 129 . 1 1 38 38 VAL CB C 13 29.4 0.3 . 1 . . . . 38 VAL CB . 7406 1 130 . 1 1 38 38 VAL N N 15 118.6 0.3 . 1 . . . . 38 VAL N . 7406 1 131 . 1 1 39 39 THR H H 1 7.36 0.02 . 1 . . . . 39 THR H . 7406 1 132 . 1 1 39 39 THR CA C 13 58.5 0.3 . 1 . . . . 39 THR CA . 7406 1 133 . 1 1 39 39 THR CB C 13 67.0 0.3 . 1 . . . . 39 THR CB . 7406 1 134 . 1 1 39 39 THR N N 15 105.4 0.3 . 1 . . . . 39 THR N . 7406 1 135 . 1 1 40 40 ASN H H 1 7.50 0.02 . 1 . . . . 40 ASN H . 7406 1 136 . 1 1 40 40 ASN CA C 13 52.8 0.3 . 1 . . . . 40 ASN CA . 7406 1 137 . 1 1 40 40 ASN CB C 13 34.0 0.3 . 1 . . . . 40 ASN CB . 7406 1 138 . 1 1 40 40 ASN N N 15 115.7 0.3 . 1 . . . . 40 ASN N . 7406 1 139 . 1 1 41 41 GLU H H 1 7.34 0.02 . 1 . . . . 41 GLU H . 7406 1 140 . 1 1 41 41 GLU CA C 13 51.6 0.3 . 1 . . . . 41 GLU CA . 7406 1 141 . 1 1 41 41 GLU CB C 13 30.4 0.3 . 1 . . . . 41 GLU CB . 7406 1 142 . 1 1 41 41 GLU N N 15 114.5 0.3 . 1 . . . . 41 GLU N . 7406 1 143 . 1 1 42 42 CYS H H 1 9.12 0.02 . 1 . . . . 42 CYS H . 7406 1 144 . 1 1 42 42 CYS CA C 13 53.4 0.3 . 1 . . . . 42 CYS CA . 7406 1 145 . 1 1 42 42 CYS CB C 13 26.6 0.3 . 1 . . . . 42 CYS CB . 7406 1 146 . 1 1 42 42 CYS N N 15 122.5 0.3 . 1 . . . . 42 CYS N . 7406 1 147 . 1 1 43 43 GLN H H 1 9.20 0.02 . 1 . . . . 43 GLN H . 7406 1 148 . 1 1 43 43 GLN CA C 13 51.6 0.3 . 1 . . . . 43 GLN CA . 7406 1 149 . 1 1 43 43 GLN CB C 13 27.4 0.3 . 1 . . . . 43 GLN CB . 7406 1 150 . 1 1 43 43 GLN N N 15 129.1 0.3 . 1 . . . . 43 GLN N . 7406 1 151 . 1 1 44 44 VAL H H 1 9.39 0.02 . 1 . . . . 44 VAL H . 7406 1 152 . 1 1 44 44 VAL CA C 13 58.2 0.3 . 1 . . . . 44 VAL CA . 7406 1 153 . 1 1 44 44 VAL CB C 13 32.0 0.3 . 1 . . . . 44 VAL CB . 7406 1 154 . 1 1 44 44 VAL N N 15 127.8 0.3 . 1 . . . . 44 VAL N . 7406 1 155 . 1 1 45 45 THR H H 1 8.67 0.02 . 1 . . . . 45 THR H . 7406 1 156 . 1 1 45 45 THR CA C 13 58.9 0.3 . 1 . . . . 45 THR CA . 7406 1 157 . 1 1 45 45 THR CB C 13 66.6 0.3 . 1 . . . . 45 THR CB . 7406 1 158 . 1 1 45 45 THR N N 15 124.6 0.3 . 1 . . . . 45 THR N . 7406 1 159 . 1 1 46 46 TYR H H 1 9.31 0.02 . 1 . . . . 46 TYR H . 7406 1 160 . 1 1 46 46 TYR CA C 13 52.8 0.3 . 1 . . . . 46 TYR CA . 7406 1 161 . 1 1 46 46 TYR CB C 13 38.5 0.3 . 1 . . . . 46 TYR CB . 7406 1 162 . 1 1 46 46 TYR N N 15 124.9 0.3 . 1 . . . . 46 TYR N . 7406 1 163 . 1 1 47 47 ASP H H 1 8.71 0.02 . 1 . . . . 47 ASP H . 7406 1 164 . 1 1 47 47 ASP CA C 13 49.5 0.3 . 1 . . . . 47 ASP CA . 7406 1 165 . 1 1 47 47 ASP CB C 13 40.5 0.3 . 1 . . . . 47 ASP CB . 7406 1 166 . 1 1 47 47 ASP N N 15 122.4 0.3 . 1 . . . . 47 ASP N . 7406 1 167 . 1 1 48 48 ASN H H 1 8.29 0.02 . 1 . . . . 48 ASN H . 7406 1 168 . 1 1 48 48 ASN CA C 13 52.6 0.3 . 1 . . . . 48 ASN CA . 7406 1 169 . 1 1 48 48 ASN CB C 13 35.5 0.3 . 1 . . . . 48 ASN CB . 7406 1 170 . 1 1 48 48 ASN N N 15 111.8 0.3 . 1 . . . . 48 ASN N . 7406 1 171 . 1 1 49 49 GLU H H 1 8.81 0.02 . 1 . . . . 49 GLU H . 7406 1 172 . 1 1 49 49 GLU CA C 13 55.3 0.3 . 1 . . . . 49 GLU CA . 7406 1 173 . 1 1 49 49 GLU CB C 13 26.5 0.3 . 1 . . . . 49 GLU CB . 7406 1 174 . 1 1 49 49 GLU N N 15 119.2 0.3 . 1 . . . . 49 GLU N . 7406 1 175 . 1 1 51 51 THR H H 1 6.97 0.02 . 1 . . . . 51 THR H . 7406 1 176 . 1 1 51 51 THR CA C 13 56.3 0.3 . 1 . . . . 51 THR CA . 7406 1 177 . 1 1 51 51 THR CB C 13 69.9 0.3 . 1 . . . . 51 THR CB . 7406 1 178 . 1 1 51 51 THR N N 15 108.1 0.3 . 1 . . . . 51 THR N . 7406 1 179 . 1 1 52 52 ALA H H 1 8.77 0.02 . 1 . . . . 52 ALA H . 7406 1 180 . 1 1 52 52 ALA CA C 13 52.4 0.3 . 1 . . . . 52 ALA CA . 7406 1 181 . 1 1 52 52 ALA CB C 13 14.3 0.3 . 1 . . . . 52 ALA CB . 7406 1 182 . 1 1 52 52 ALA N N 15 122.8 0.3 . 1 . . . . 52 ALA N . 7406 1 183 . 1 1 53 53 ASP H H 1 7.84 0.02 . 1 . . . . 53 ASP H . 7406 1 184 . 1 1 53 53 ASP CA C 13 54.7 0.3 . 1 . . . . 53 ASP CA . 7406 1 185 . 1 1 53 53 ASP CB C 13 37.6 0.3 . 1 . . . . 53 ASP CB . 7406 1 186 . 1 1 53 53 ASP N N 15 114.6 0.3 . 1 . . . . 53 ASP N . 7406 1 187 . 1 1 54 54 SER H H 1 7.73 0.02 . 1 . . . . 54 SER H . 7406 1 188 . 1 1 54 54 SER CA C 13 58.9 0.3 . 1 . . . . 54 SER CA . 7406 1 189 . 1 1 54 54 SER CB C 13 59.6 0.3 . 1 . . . . 54 SER CB . 7406 1 190 . 1 1 54 54 SER N N 15 117.2 0.3 . 1 . . . . 54 SER N . 7406 1 191 . 1 1 57 57 GLU H H 1 7.70 0.02 . 1 . . . . 57 GLU H . 7406 1 192 . 1 1 57 57 GLU CA C 13 56.6 0.3 . 1 . . . . 57 GLU CA . 7406 1 193 . 1 1 57 57 GLU CB C 13 26.6 0.3 . 1 . . . . 57 GLU CB . 7406 1 194 . 1 1 57 57 GLU N N 15 116.9 0.3 . 1 . . . . 57 GLU N . 7406 1 195 . 1 1 58 58 ILE H H 1 7.54 0.02 . 1 . . . . 58 ILE H . 7406 1 196 . 1 1 58 58 ILE CA C 13 60.7 0.3 . 1 . . . . 58 ILE CA . 7406 1 197 . 1 1 58 58 ILE CB C 13 33.8 0.3 . 1 . . . . 58 ILE CB . 7406 1 198 . 1 1 58 58 ILE N N 15 119.5 0.3 . 1 . . . . 58 ILE N . 7406 1 199 . 1 1 59 59 ILE H H 1 7.61 0.02 . 1 . . . . 59 ILE H . 7406 1 200 . 1 1 59 59 ILE CA C 13 64.6 0.3 . 1 . . . . 59 ILE CA . 7406 1 201 . 1 1 59 59 ILE CB C 13 34.8 0.3 . 1 . . . . 59 ILE CB . 7406 1 202 . 1 1 59 59 ILE N N 15 121.6 0.3 . 1 . . . . 59 ILE N . 7406 1 203 . 1 1 60 60 GLU H H 1 8.28 0.02 . 1 . . . . 60 GLU H . 7406 1 204 . 1 1 60 60 GLU CA C 13 56.2 0.3 . 1 . . . . 60 GLU CA . 7406 1 205 . 1 1 60 60 GLU CB C 13 25.0 0.3 . 1 . . . . 60 GLU CB . 7406 1 206 . 1 1 60 60 GLU N N 15 119.5 0.3 . 1 . . . . 60 GLU N . 7406 1 207 . 1 1 61 61 ASP H H 1 8.66 0.02 . 1 . . . . 61 ASP H . 7406 1 208 . 1 1 61 61 ASP CA C 13 54.1 0.3 . 1 . . . . 61 ASP CA . 7406 1 209 . 1 1 61 61 ASP CB C 13 37.7 0.3 . 1 . . . . 61 ASP CB . 7406 1 210 . 1 1 61 61 ASP N N 15 122.8 0.3 . 1 . . . . 61 ASP N . 7406 1 211 . 1 1 62 62 CYS H H 1 7.80 0.02 . 1 . . . . 62 CYS H . 7406 1 212 . 1 1 62 62 CYS CA C 13 58.5 0.3 . 1 . . . . 62 CYS CA . 7406 1 213 . 1 1 62 62 CYS CB C 13 24.3 0.3 . 1 . . . . 62 CYS CB . 7406 1 214 . 1 1 62 62 CYS N N 15 115.8 0.3 . 1 . . . . 62 CYS N . 7406 1 215 . 1 1 63 63 GLY H H 1 7.92 0.02 . 1 . . . . 63 GLY H . 7406 1 216 . 1 1 63 63 GLY CA C 13 41.7 0.3 . 1 . . . . 63 GLY CA . 7406 1 217 . 1 1 63 63 GLY N N 15 105.1 0.3 . 1 . . . . 63 GLY N . 7406 1 218 . 1 1 64 64 PHE H H 1 7.09 0.02 . 1 . . . . 64 PHE H . 7406 1 219 . 1 1 64 64 PHE CA C 13 54.1 0.3 . 1 . . . . 64 PHE CA . 7406 1 220 . 1 1 64 64 PHE CB C 13 38.1 0.3 . 1 . . . . 64 PHE CB . 7406 1 221 . 1 1 64 64 PHE N N 15 119.2 0.3 . 1 . . . . 64 PHE N . 7406 1 222 . 1 1 65 65 ASP H H 1 8.02 0.02 . 1 . . . . 65 ASP H . 7406 1 223 . 1 1 65 65 ASP CA C 13 51.2 0.3 . 1 . . . . 65 ASP CA . 7406 1 224 . 1 1 65 65 ASP CB C 13 39.3 0.3 . 1 . . . . 65 ASP CB . 7406 1 225 . 1 1 65 65 ASP N N 15 120.6 0.3 . 1 . . . . 65 ASP N . 7406 1 226 . 1 1 66 66 CYS H H 1 9.06 0.02 . 1 . . . . 66 CYS H . 7406 1 227 . 1 1 66 66 CYS CA C 13 53.2 0.3 . 1 . . . . 66 CYS CA . 7406 1 228 . 1 1 66 66 CYS CB C 13 29.3 0.3 . 1 . . . . 66 CYS CB . 7406 1 229 . 1 1 66 66 CYS N N 15 116.4 0.3 . 1 . . . . 66 CYS N . 7406 1 230 . 1 1 67 67 GLU H H 1 8.34 0.02 . 1 . . . . 67 GLU H . 7406 1 231 . 1 1 67 67 GLU CA C 13 51.8 0.3 . 1 . . . . 67 GLU CA . 7406 1 232 . 1 1 67 67 GLU CB C 13 30.6 0.3 . 1 . . . . 67 GLU CB . 7406 1 233 . 1 1 67 67 GLU N N 15 116.5 0.3 . 1 . . . . 67 GLU N . 7406 1 234 . 1 1 68 68 ILE H H 1 9.05 0.02 . 1 . . . . 68 ILE H . 7406 1 235 . 1 1 68 68 ILE CA C 13 60.7 0.3 . 1 . . . . 68 ILE CA . 7406 1 236 . 1 1 68 68 ILE CB C 13 35.4 0.3 . 1 . . . . 68 ILE CB . 7406 1 237 . 1 1 68 68 ILE N N 15 124.0 0.3 . 1 . . . . 68 ILE N . 7406 1 238 . 1 1 69 69 LEU H H 1 9.46 0.02 . 1 . . . . 69 LEU H . 7406 1 239 . 1 1 69 69 LEU CA C 13 53.1 0.3 . 1 . . . . 69 LEU CA . 7406 1 240 . 1 1 69 69 LEU CB C 13 39.4 0.3 . 1 . . . . 69 LEU CB . 7406 1 241 . 1 1 69 69 LEU N N 15 129.5 0.3 . 1 . . . . 69 LEU N . 7406 1 242 . 1 1 70 70 ARG H H 1 7.52 0.02 . 1 . . . . 70 ARG H . 7406 1 243 . 1 1 70 70 ARG CA C 13 52.9 0.3 . 1 . . . . 70 ARG CA . 7406 1 244 . 1 1 70 70 ARG CB C 13 30.3 0.3 . 1 . . . . 70 ARG CB . 7406 1 245 . 1 1 70 70 ARG N N 15 116.1 0.3 . 1 . . . . 70 ARG N . 7406 1 246 . 1 1 71 71 ASP H H 1 8.31 0.02 . 1 . . . . 71 ASP H . 7406 1 247 . 1 1 71 71 ASP CA C 13 51.8 0.3 . 1 . . . . 71 ASP CA . 7406 1 248 . 1 1 71 71 ASP CB C 13 42.2 0.3 . 1 . . . . 71 ASP CB . 7406 1 249 . 1 1 71 71 ASP N N 15 123.8 0.3 . 1 . . . . 71 ASP N . 7406 1 250 . 1 1 72 72 SER H H 1 8.65 0.02 . 1 . . . . 72 SER H . 7406 1 251 . 1 1 72 72 SER CA C 13 54.7 0.3 . 1 . . . . 72 SER CA . 7406 1 252 . 1 1 72 72 SER CB C 13 63.3 0.3 . 1 . . . . 72 SER CB . 7406 1 253 . 1 1 72 72 SER N N 15 118.7 0.3 . 1 . . . . 72 SER N . 7406 1 254 . 1 1 73 73 GLU H H 1 8.58 0.02 . 1 . . . . 73 GLU H . 7406 1 255 . 1 1 73 73 GLU CA C 13 54.2 0.3 . 1 . . . . 73 GLU CA . 7406 1 256 . 1 1 73 73 GLU CB C 13 27.7 0.3 . 1 . . . . 73 GLU CB . 7406 1 257 . 1 1 73 73 GLU N N 15 121.7 0.3 . 1 . . . . 73 GLU N . 7406 1 258 . 1 1 74 74 ILE H H 1 8.21 0.02 . 1 . . . . 74 ILE H . 7406 1 259 . 1 1 74 74 ILE CA C 13 58.2 0.3 . 1 . . . . 74 ILE CA . 7406 1 260 . 1 1 74 74 ILE CB C 13 30.2 0.3 . 1 . . . . 74 ILE CB . 7406 1 261 . 1 1 74 74 ILE N N 15 123.8 0.3 . 1 . . . . 74 ILE N . 7406 1 262 . 1 1 75 75 THR H H 1 8.13 0.02 . 1 . . . . 75 THR H . 7406 1 263 . 1 1 75 75 THR CA C 13 59.0 0.3 . 1 . . . . 75 THR CA . 7406 1 264 . 1 1 75 75 THR CB C 13 67.0 0.3 . 1 . . . . 75 THR CB . 7406 1 265 . 1 1 75 75 THR N N 15 118.2 0.3 . 1 . . . . 75 THR N . 7406 1 266 . 1 1 76 76 ALA H H 1 8.20 0.02 . 1 . . . . 76 ALA H . 7406 1 267 . 1 1 76 76 ALA CA C 13 49.7 0.3 . 1 . . . . 76 ALA CA . 7406 1 268 . 1 1 76 76 ALA CB C 13 16.3 0.3 . 1 . . . . 76 ALA CB . 7406 1 269 . 1 1 76 76 ALA N N 15 126.7 0.3 . 1 . . . . 76 ALA N . 7406 1 270 . 1 1 77 77 ILE H H 1 8.00 0.02 . 1 . . . . 77 ILE H . 7406 1 271 . 1 1 77 77 ILE CA C 13 58.2 0.3 . 1 . . . . 77 ILE CA . 7406 1 272 . 1 1 77 77 ILE CB C 13 35.7 0.3 . 1 . . . . 77 ILE CB . 7406 1 273 . 1 1 77 77 ILE N N 15 120.0 0.3 . 1 . . . . 77 ILE N . 7406 1 274 . 1 1 78 78 SER H H 1 8.27 0.02 . 1 . . . . 78 SER H . 7406 1 275 . 1 1 78 78 SER CA C 13 55.3 0.3 . 1 . . . . 78 SER CA . 7406 1 276 . 1 1 78 78 SER CB C 13 61.0 0.3 . 1 . . . . 78 SER CB . 7406 1 277 . 1 1 78 78 SER N N 15 120.5 0.3 . 1 . . . . 78 SER N . 7406 1 278 . 1 1 79 79 THR H H 1 8.11 0.02 . 1 . . . . 79 THR H . 7406 1 279 . 1 1 79 79 THR CA C 13 59.1 0.3 . 1 . . . . 79 THR CA . 7406 1 280 . 1 1 79 79 THR CB C 13 66.9 0.3 . 1 . . . . 79 THR CB . 7406 1 281 . 1 1 79 79 THR N N 15 116.3 0.3 . 1 . . . . 79 THR N . 7406 1 282 . 1 1 81 81 GLU H H 1 8.52 0.02 . 1 . . . . 81 GLU H . 7406 1 283 . 1 1 81 81 GLU CA C 13 57.5 0.3 . 1 . . . . 81 GLU CA . 7406 1 284 . 1 1 81 81 GLU CB C 13 27.0 0.3 . 1 . . . . 81 GLU CB . 7406 1 285 . 1 1 81 81 GLU N N 15 123.6 0.3 . 1 . . . . 81 GLU N . 7406 1 286 . 1 1 82 82 GLY H H 1 8.25 0.02 . 1 . . . . 82 GLY H . 7406 1 287 . 1 1 82 82 GLY CA C 13 42.5 0.3 . 1 . . . . 82 GLY CA . 7406 1 288 . 1 1 82 82 GLY N N 15 109.4 0.3 . 1 . . . . 82 GLY N . 7406 1 289 . 1 1 83 83 LEU H H 1 7.89 0.02 . 1 . . . . 83 LEU H . 7406 1 290 . 1 1 83 83 LEU CA C 13 52.5 0.3 . 1 . . . . 83 LEU CA . 7406 1 291 . 1 1 83 83 LEU CB C 13 39.6 0.3 . 1 . . . . 83 LEU CB . 7406 1 292 . 1 1 83 83 LEU N N 15 121.4 0.3 . 1 . . . . 83 LEU N . 7406 1 293 . 1 1 84 84 LEU H H 1 7.64 0.02 . 1 . . . . 84 LEU H . 7406 1 294 . 1 1 84 84 LEU CA C 13 53.9 0.3 . 1 . . . . 84 LEU CA . 7406 1 295 . 1 1 84 84 LEU CB C 13 40.6 0.3 . 1 . . . . 84 LEU CB . 7406 1 296 . 1 1 84 84 LEU N N 15 127.8 0.3 . 1 . . . . 84 LEU N . 7406 1 297 . 1 1 86 86 VAL H H 1 7.13 0.02 . 1 . . . . 86 VAL H . 7406 1 298 . 1 1 86 86 VAL CA C 13 62.3 0.3 . 1 . . . . 86 VAL CA . 7406 1 299 . 1 1 86 86 VAL CB C 13 34.6 0.3 . 1 . . . . 86 VAL CB . 7406 1 300 . 1 1 86 86 VAL N N 15 123.4 0.3 . 1 . . . . 86 VAL N . 7406 1 301 . 1 1 88 88 GLY H H 1 8.33 0.02 . 1 . . . . 88 GLY H . 7406 1 302 . 1 1 88 88 GLY CA C 13 42.4 0.3 . 1 . . . . 88 GLY CA . 7406 1 303 . 1 1 88 88 GLY N N 15 111.0 0.3 . 1 . . . . 88 GLY N . 7406 1 304 . 1 1 89 89 MET H H 1 8.86 0.02 . 1 . . . . 89 MET H . 7406 1 305 . 1 1 89 89 MET CA C 13 53.4 0.3 . 1 . . . . 89 MET CA . 7406 1 306 . 1 1 89 89 MET CB C 13 27.4 0.3 . 1 . . . . 89 MET CB . 7406 1 307 . 1 1 89 89 MET N N 15 119.6 0.3 . 1 . . . . 89 MET N . 7406 1 308 . 1 1 90 90 THR H H 1 7.98 0.02 . 1 . . . . 90 THR H . 7406 1 309 . 1 1 90 90 THR CA C 13 59.0 0.3 . 1 . . . . 90 THR CA . 7406 1 310 . 1 1 90 90 THR CB C 13 66.9 0.3 . 1 . . . . 90 THR CB . 7406 1 311 . 1 1 90 90 THR N N 15 116.7 0.3 . 1 . . . . 90 THR N . 7406 1 312 . 1 1 91 91 CYS H H 1 8.19 0.02 . 1 . . . . 91 CYS H . 7406 1 313 . 1 1 91 91 CYS CA C 13 53.7 0.3 . 1 . . . . 91 CYS CA . 7406 1 314 . 1 1 91 91 CYS CB C 13 27.1 0.3 . 1 . . . . 91 CYS CB . 7406 1 315 . 1 1 91 91 CYS N N 15 123.7 0.3 . 1 . . . . 91 CYS N . 7406 1 316 . 1 1 92 92 GLY H H 1 8.48 0.02 . 1 . . . . 92 GLY H . 7406 1 317 . 1 1 92 92 GLY CA C 13 42.4 0.3 . 1 . . . . 92 GLY CA . 7406 1 318 . 1 1 92 92 GLY N N 15 110.5 0.3 . 1 . . . . 92 GLY N . 7406 1 319 . 1 1 93 93 SER H H 1 7.80 0.02 . 1 . . . . 93 SER H . 7406 1 320 . 1 1 93 93 SER CA C 13 59.1 0.3 . 1 . . . . 93 SER CA . 7406 1 321 . 1 1 93 93 SER CB C 13 61.0 0.3 . 1 . . . . 93 SER CB . 7406 1 322 . 1 1 93 93 SER N N 15 118.8 0.3 . 1 . . . . 93 SER N . 7406 1 323 . 1 1 94 94 CYS H H 1 8.21 0.02 . 1 . . . . 94 CYS H . 7406 1 324 . 1 1 94 94 CYS CA C 13 57.8 0.3 . 1 . . . . 94 CYS CA . 7406 1 325 . 1 1 94 94 CYS CB C 13 35.9 0.3 . 1 . . . . 94 CYS CB . 7406 1 326 . 1 1 94 94 CYS N N 15 124.8 0.3 . 1 . . . . 94 CYS N . 7406 1 327 . 1 1 95 95 VAL H H 1 8.21 0.02 . 1 . . . . 95 VAL H . 7406 1 328 . 1 1 95 95 VAL CA C 13 59.5 0.3 . 1 . . . . 95 VAL CA . 7406 1 329 . 1 1 95 95 VAL CB C 13 36.1 0.3 . 1 . . . . 95 VAL CB . 7406 1 330 . 1 1 95 95 VAL N N 15 125.8 0.3 . 1 . . . . 95 VAL N . 7406 1 331 . 1 1 96 96 SER H H 1 7.85 0.02 . 1 . . . . 96 SER H . 7406 1 332 . 1 1 96 96 SER CA C 13 57.1 0.3 . 1 . . . . 96 SER CA . 7406 1 333 . 1 1 96 96 SER CB C 13 61.7 0.3 . 1 . . . . 96 SER CB . 7406 1 334 . 1 1 96 96 SER N N 15 125.5 0.3 . 1 . . . . 96 SER N . 7406 1 335 . 1 1 97 97 THR H H 1 8.11 0.02 . 1 . . . . 97 THR H . 7406 1 336 . 1 1 97 97 THR CA C 13 59.1 0.3 . 1 . . . . 97 THR CA . 7406 1 337 . 1 1 97 97 THR CB C 13 66.8 0.3 . 1 . . . . 97 THR CB . 7406 1 338 . 1 1 97 97 THR N N 15 116.1 0.3 . 1 . . . . 97 THR N . 7406 1 339 . 1 1 98 98 VAL H H 1 8.14 0.02 . 1 . . . . 98 VAL H . 7406 1 340 . 1 1 98 98 VAL CA C 13 59.6 0.3 . 1 . . . . 98 VAL CA . 7406 1 341 . 1 1 98 98 VAL CB C 13 29.7 0.3 . 1 . . . . 98 VAL CB . 7406 1 342 . 1 1 98 98 VAL N N 15 122.8 0.3 . 1 . . . . 98 VAL N . 7406 1 343 . 1 1 99 99 THR H H 1 8.25 0.02 . 1 . . . . 99 THR H . 7406 1 344 . 1 1 99 99 THR CA C 13 58.8 0.3 . 1 . . . . 99 THR CA . 7406 1 345 . 1 1 99 99 THR CB C 13 66.9 0.3 . 1 . . . . 99 THR CB . 7406 1 346 . 1 1 99 99 THR N N 15 119.3 0.3 . 1 . . . . 99 THR N . 7406 1 347 . 1 1 100 100 LYS H H 1 8.18 0.02 . 1 . . . . 100 LYS H . 7406 1 348 . 1 1 100 100 LYS CA C 13 53.7 0.3 . 1 . . . . 100 LYS CA . 7406 1 349 . 1 1 100 100 LYS CB C 13 30.2 0.3 . 1 . . . . 100 LYS CB . 7406 1 350 . 1 1 100 100 LYS N N 15 123.6 0.3 . 1 . . . . 100 LYS N . 7406 1 351 . 1 1 101 101 GLN H H 1 7.93 0.02 . 1 . . . . 101 GLN H . 7406 1 352 . 1 1 101 101 GLN CA C 13 55.2 0.3 . 1 . . . . 101 GLN CA . 7406 1 353 . 1 1 101 101 GLN CB C 13 28.0 0.3 . 1 . . . . 101 GLN CB . 7406 1 354 . 1 1 101 101 GLN N N 15 127.5 0.3 . 1 . . . . 101 GLN N . 7406 1 355 . 1 1 103 103 GLU H H 1 8.48 0.02 . 1 . . . . 103 GLU H . 7406 1 356 . 1 1 103 103 GLU CA C 13 53.8 0.3 . 1 . . . . 103 GLU CA . 7406 1 357 . 1 1 103 103 GLU CB C 13 27.2 0.3 . 1 . . . . 103 GLU CB . 7406 1 358 . 1 1 103 103 GLU N N 15 124.8 0.3 . 1 . . . . 103 GLU N . 7406 1 359 . 1 1 104 104 GLY H H 1 8.28 0.02 . 1 . . . . 104 GLY H . 7406 1 360 . 1 1 104 104 GLY CA C 13 42.6 0.3 . 1 . . . . 104 GLY CA . 7406 1 361 . 1 1 104 104 GLY N N 15 109.6 0.3 . 1 . . . . 104 GLY N . 7406 1 362 . 1 1 105 105 ILE H H 1 7.84 0.02 . 1 . . . . 105 ILE H . 7406 1 363 . 1 1 105 105 ILE CA C 13 58.3 0.3 . 1 . . . . 105 ILE CA . 7406 1 364 . 1 1 105 105 ILE CB C 13 35.7 0.3 . 1 . . . . 105 ILE CB . 7406 1 365 . 1 1 105 105 ILE N N 15 119.5 0.3 . 1 . . . . 105 ILE N . 7406 1 366 . 1 1 106 106 GLU H H 1 8.59 0.02 . 1 . . . . 106 GLU H . 7406 1 367 . 1 1 106 106 GLU CA C 13 54.0 0.3 . 1 . . . . 106 GLU CA . 7406 1 368 . 1 1 106 106 GLU CB C 13 27.0 0.3 . 1 . . . . 106 GLU CB . 7406 1 369 . 1 1 106 106 GLU N N 15 124.7 0.3 . 1 . . . . 106 GLU N . 7406 1 370 . 1 1 107 107 GLY H H 1 8.35 0.02 . 1 . . . . 107 GLY H . 7406 1 371 . 1 1 107 107 GLY CA C 13 42.4 0.3 . 1 . . . . 107 GLY CA . 7406 1 372 . 1 1 107 107 GLY N N 15 110.2 0.3 . 1 . . . . 107 GLY N . 7406 1 373 . 1 1 108 108 VAL H H 1 7.81 0.02 . 1 . . . . 108 VAL H . 7406 1 374 . 1 1 108 108 VAL CA C 13 59.4 0.3 . 1 . . . . 108 VAL CA . 7406 1 375 . 1 1 108 108 VAL CB C 13 29.8 0.3 . 1 . . . . 108 VAL CB . 7406 1 376 . 1 1 108 108 VAL N N 15 119.0 0.3 . 1 . . . . 108 VAL N . 7406 1 377 . 1 1 109 109 GLU H H 1 8.24 0.02 . 1 . . . . 109 GLU H . 7406 1 378 . 1 1 109 109 GLU CA C 13 54.9 0.3 . 1 . . . . 109 GLU CA . 7406 1 379 . 1 1 109 109 GLU CB C 13 29.9 0.3 . 1 . . . . 109 GLU CB . 7406 1 380 . 1 1 109 109 GLU N N 15 125.2 0.3 . 1 . . . . 109 GLU N . 7406 1 381 . 1 1 110 110 SER H H 1 8.26 0.02 . 1 . . . . 110 SER H . 7406 1 382 . 1 1 110 110 SER CA C 13 55.3 0.3 . 1 . . . . 110 SER CA . 7406 1 383 . 1 1 110 110 SER CB C 13 61.0 0.3 . 1 . . . . 110 SER CB . 7406 1 384 . 1 1 110 110 SER N N 15 119.3 0.3 . 1 . . . . 110 SER N . 7406 1 385 . 1 1 111 111 VAL H H 1 8.08 0.02 . 1 . . . . 111 VAL H . 7406 1 386 . 1 1 111 111 VAL CA C 13 59.5 0.3 . 1 . . . . 111 VAL CA . 7406 1 387 . 1 1 111 111 VAL CB C 13 29.9 0.3 . 1 . . . . 111 VAL CB . 7406 1 388 . 1 1 111 111 VAL N N 15 122.3 0.3 . 1 . . . . 111 VAL N . 7406 1 389 . 1 1 112 112 VAL H H 1 8.20 0.02 . 1 . . . . 112 VAL H . 7406 1 390 . 1 1 112 112 VAL CA C 13 59.5 0.3 . 1 . . . . 112 VAL CA . 7406 1 391 . 1 1 112 112 VAL CB C 13 29.8 0.3 . 1 . . . . 112 VAL CB . 7406 1 392 . 1 1 112 112 VAL N N 15 125.5 0.3 . 1 . . . . 112 VAL N . 7406 1 393 . 1 1 113 113 VAL H H 1 8.21 0.02 . 1 . . . . 113 VAL H . 7406 1 394 . 1 1 113 113 VAL CA C 13 59.6 0.3 . 1 . . . . 113 VAL CA . 7406 1 395 . 1 1 113 113 VAL CB C 13 29.6 0.3 . 1 . . . . 113 VAL CB . 7406 1 396 . 1 1 113 113 VAL N N 15 125.3 0.3 . 1 . . . . 113 VAL N . 7406 1 397 . 1 1 115 115 LEU H H 1 7.85 0.02 . 1 . . . . 115 LEU H . 7406 1 398 . 1 1 115 115 LEU CA C 13 58.1 0.3 . 1 . . . . 115 LEU CA . 7406 1 399 . 1 1 115 115 LEU CB C 13 40.4 0.3 . 1 . . . . 115 LEU CB . 7406 1 400 . 1 1 115 115 LEU N N 15 130.0 0.3 . 1 . . . . 115 LEU N . 7406 1 401 . 1 1 116 116 VAL H H 1 8.25 0.02 . 1 . . . . 116 VAL H . 7406 1 402 . 1 1 116 116 VAL CA C 13 58.8 0.3 . 1 . . . . 116 VAL CA . 7406 1 403 . 1 1 116 116 VAL CB C 13 30.0 0.3 . 1 . . . . 116 VAL CB . 7406 1 404 . 1 1 116 116 VAL N N 15 125.6 0.3 . 1 . . . . 116 VAL N . 7406 1 405 . 1 1 117 117 THR H H 1 8.24 0.02 . 1 . . . . 117 THR H . 7406 1 406 . 1 1 117 117 THR CA C 13 58.8 0.3 . 1 . . . . 117 THR CA . 7406 1 407 . 1 1 117 117 THR CB C 13 66.8 0.3 . 1 . . . . 117 THR CB . 7406 1 408 . 1 1 117 117 THR N N 15 118.9 0.3 . 1 . . . . 117 THR N . 7406 1 409 . 1 1 118 118 GLU H H 1 8.24 0.02 . 1 . . . . 118 GLU H . 7406 1 410 . 1 1 118 118 GLU CA C 13 53.5 0.3 . 1 . . . . 118 GLU CA . 7406 1 411 . 1 1 118 118 GLU CB C 13 30.1 0.3 . 1 . . . . 118 GLU CB . 7406 1 412 . 1 1 118 118 GLU N N 15 124.3 0.3 . 1 . . . . 118 GLU N . 7406 1 413 . 1 1 119 119 GLU H H 1 8.37 0.02 . 1 . . . . 119 GLU H . 7406 1 414 . 1 1 119 119 GLU CA C 13 53.0 0.3 . 1 . . . . 119 GLU CA . 7406 1 415 . 1 1 119 119 GLU CB C 13 26.5 0.3 . 1 . . . . 119 GLU CB . 7406 1 416 . 1 1 119 119 GLU N N 15 122.8 0.3 . 1 . . . . 119 GLU N . 7406 1 417 . 1 1 120 120 CYS H H 1 8.14 0.02 . 1 . . . . 120 CYS H . 7406 1 418 . 1 1 120 120 CYS CA C 13 60.4 0.3 . 1 . . . . 120 CYS CA . 7406 1 419 . 1 1 120 120 CYS CB C 13 29.9 0.3 . 1 . . . . 120 CYS CB . 7406 1 420 . 1 1 120 120 CYS N N 15 122.0 0.3 . 1 . . . . 120 CYS N . 7406 1 421 . 1 1 121 121 HIS H H 1 8.42 0.02 . 1 . . . . 121 HIS H . 7406 1 422 . 1 1 121 121 HIS CA C 13 53.7 0.3 . 1 . . . . 121 HIS CA . 7406 1 423 . 1 1 121 121 HIS CB C 13 27.3 0.3 . 1 . . . . 121 HIS CB . 7406 1 424 . 1 1 121 121 HIS N N 15 125.0 0.3 . 1 . . . . 121 HIS N . 7406 1 425 . 1 1 122 122 VAL H H 1 8.28 0.02 . 1 . . . . 122 VAL H . 7406 1 426 . 1 1 122 122 VAL CA C 13 60.3 0.3 . 1 . . . . 122 VAL CA . 7406 1 427 . 1 1 122 122 VAL CB C 13 29.1 0.3 . 1 . . . . 122 VAL CB . 7406 1 428 . 1 1 122 122 VAL N N 15 122.5 0.3 . 1 . . . . 122 VAL N . 7406 1 429 . 1 1 127 127 SER H H 1 8.10 0.02 . 1 . . . . 127 SER H . 7406 1 430 . 1 1 127 127 SER CA C 13 59.0 0.3 . 1 . . . . 127 SER CA . 7406 1 431 . 1 1 127 127 SER CB C 13 66.8 0.3 . 1 . . . . 127 SER CB . 7406 1 432 . 1 1 127 127 SER N N 15 115.8 0.3 . 1 . . . . 127 SER N . 7406 1 433 . 1 1 128 128 LYS H H 1 8.21 0.02 . 1 . . . . 128 LYS H . 7406 1 434 . 1 1 128 128 LYS CA C 13 53.8 0.3 . 1 . . . . 128 LYS CA . 7406 1 435 . 1 1 128 128 LYS CB C 13 29.9 0.3 . 1 . . . . 128 LYS CB . 7406 1 436 . 1 1 128 128 LYS N N 15 122.9 0.3 . 1 . . . . 128 LYS N . 7406 1 437 . 1 1 129 129 THR H H 1 8.08 0.02 . 1 . . . . 129 THR H . 7406 1 438 . 1 1 129 129 THR CA C 13 58.7 0.3 . 1 . . . . 129 THR CA . 7406 1 439 . 1 1 129 129 THR CB C 13 66.9 0.3 . 1 . . . . 129 THR CB . 7406 1 440 . 1 1 129 129 THR N N 15 115.3 0.3 . 1 . . . . 129 THR N . 7406 1 441 . 1 1 130 130 THR H H 1 8.13 0.02 . 1 . . . . 130 THR H . 7406 1 442 . 1 1 130 130 THR CA C 13 59.0 0.3 . 1 . . . . 130 THR CA . 7406 1 443 . 1 1 130 130 THR CB C 13 66.8 0.3 . 1 . . . . 130 THR CB . 7406 1 444 . 1 1 130 130 THR N N 15 116.2 0.3 . 1 . . . . 130 THR N . 7406 1 445 . 1 1 131 131 LEU H H 1 9.24 0.02 . 1 . . . . 131 LEU H . 7406 1 446 . 1 1 131 131 LEU CA C 13 52.8 0.3 . 1 . . . . 131 LEU CA . 7406 1 447 . 1 1 131 131 LEU CB C 13 38.7 0.3 . 1 . . . . 131 LEU CB . 7406 1 448 . 1 1 131 131 LEU N N 15 124.3 0.3 . 1 . . . . 131 LEU N . 7406 1 449 . 1 1 133 133 THR H H 1 8.01 0.02 . 1 . . . . 133 THR H . 7406 1 450 . 1 1 133 133 THR CA C 13 59.1 0.3 . 1 . . . . 133 THR CA . 7406 1 451 . 1 1 133 133 THR CB C 13 66.8 0.3 . 1 . . . . 133 THR CB . 7406 1 452 . 1 1 133 133 THR N N 15 115.6 0.3 . 1 . . . . 133 THR N . 7406 1 453 . 1 1 134 134 ALA H H 1 8.14 0.02 . 1 . . . . 134 ALA H . 7406 1 454 . 1 1 134 134 ALA CA C 13 49.7 0.3 . 1 . . . . 134 ALA CA . 7406 1 455 . 1 1 134 134 ALA CB C 13 16.3 0.3 . 1 . . . . 134 ALA CB . 7406 1 456 . 1 1 134 134 ALA N N 15 126.4 0.3 . 1 . . . . 134 ALA N . 7406 1 457 . 1 1 135 135 ARG H H 1 8.02 0.02 . 1 . . . . 135 ARG H . 7406 1 458 . 1 1 135 135 ARG CA C 13 54.1 0.3 . 1 . . . . 135 ARG CA . 7406 1 459 . 1 1 135 135 ARG CB C 13 35.7 0.3 . 1 . . . . 135 ARG CB . 7406 1 460 . 1 1 135 135 ARG N N 15 120.2 0.3 . 1 . . . . 135 ARG N . 7406 1 461 . 1 1 136 136 GLU H H 1 8.48 0.02 . 1 . . . . 136 GLU H . 7406 1 462 . 1 1 136 136 GLU CA C 13 58.4 0.3 . 1 . . . . 136 GLU CA . 7406 1 463 . 1 1 136 136 GLU CB C 13 27.6 0.3 . 1 . . . . 136 GLU CB . 7406 1 464 . 1 1 136 136 GLU N N 15 125.0 0.3 . 1 . . . . 136 GLU N . 7406 1 465 . 1 1 140 140 ASP H H 1 8.36 0.02 . 1 . . . . 140 ASP H . 7406 1 466 . 1 1 140 140 ASP CA C 13 52.4 0.3 . 1 . . . . 140 ASP CA . 7406 1 467 . 1 1 140 140 ASP CB C 13 39.6 0.3 . 1 . . . . 140 ASP CB . 7406 1 468 . 1 1 140 140 ASP N N 15 126.0 0.3 . 1 . . . . 140 ASP N . 7406 1 469 . 1 1 141 141 CYS H H 1 8.21 0.02 . 1 . . . . 141 CYS H . 7406 1 470 . 1 1 141 141 CYS CA C 13 51.3 0.3 . 1 . . . . 141 CYS CA . 7406 1 471 . 1 1 141 141 CYS CB C 13 38.5 0.3 . 1 . . . . 141 CYS CB . 7406 1 472 . 1 1 141 141 CYS N N 15 121.2 0.3 . 1 . . . . 141 CYS N . 7406 1 473 . 1 1 142 142 GLY H H 1 8.23 0.02 . 1 . . . . 142 GLY H . 7406 1 474 . 1 1 142 142 GLY CA C 13 42.7 0.3 . 1 . . . . 142 GLY CA . 7406 1 475 . 1 1 142 142 GLY N N 15 108.6 0.3 . 1 . . . . 142 GLY N . 7406 1 476 . 1 1 143 143 PHE H H 1 7.90 0.02 . 1 . . . . 143 PHE H . 7406 1 477 . 1 1 143 143 PHE CA C 13 58.1 0.3 . 1 . . . . 143 PHE CA . 7406 1 478 . 1 1 143 143 PHE CB C 13 36.8 0.3 . 1 . . . . 143 PHE CB . 7406 1 479 . 1 1 143 143 PHE N N 15 119.6 0.3 . 1 . . . . 143 PHE N . 7406 1 480 . 1 1 144 144 ASP H H 1 8.22 0.02 . 1 . . . . 144 ASP H . 7406 1 481 . 1 1 144 144 ASP CA C 13 51.2 0.3 . 1 . . . . 144 ASP CA . 7406 1 482 . 1 1 144 144 ASP CB C 13 38.4 0.3 . 1 . . . . 144 ASP CB . 7406 1 483 . 1 1 144 144 ASP N N 15 122.1 0.3 . 1 . . . . 144 ASP N . 7406 1 484 . 1 1 145 145 SER H H 1 8.11 0.02 . 1 . . . . 145 SER H . 7406 1 485 . 1 1 145 145 SER CA C 13 56.0 0.3 . 1 . . . . 145 SER CA . 7406 1 486 . 1 1 145 145 SER CB C 13 60.7 0.3 . 1 . . . . 145 SER CB . 7406 1 487 . 1 1 145 145 SER N N 15 116.8 0.3 . 1 . . . . 145 SER N . 7406 1 488 . 1 1 146 146 ASN H H 1 8.34 0.02 . 1 . . . . 146 ASN H . 7406 1 489 . 1 1 146 146 ASN CA C 13 50.7 0.3 . 1 . . . . 146 ASN CA . 7406 1 490 . 1 1 146 146 ASN CB C 13 35.7 0.3 . 1 . . . . 146 ASN CB . 7406 1 491 . 1 1 146 146 ASN N N 15 120.6 0.3 . 1 . . . . 146 ASN N . 7406 1 492 . 1 1 148 148 ILE H H 1 7.97 0.02 . 1 . . . . 148 ILE H . 7406 1 493 . 1 1 148 148 ILE CA C 13 58.2 0.3 . 1 . . . . 148 ILE CA . 7406 1 494 . 1 1 148 148 ILE CB C 13 27.2 0.3 . 1 . . . . 148 ILE CB . 7406 1 495 . 1 1 148 148 ILE N N 15 123.6 0.3 . 1 . . . . 148 ILE N . 7406 1 496 . 1 1 149 149 MET H H 1 8.37 0.02 . 1 . . . . 149 MET H . 7406 1 497 . 1 1 149 149 MET CA C 13 53.8 0.3 . 1 . . . . 149 MET CA . 7406 1 498 . 1 1 149 149 MET CB C 13 27.5 0.3 . 1 . . . . 149 MET CB . 7406 1 499 . 1 1 149 149 MET N N 15 124.8 0.3 . 1 . . . . 149 MET N . 7406 1 500 . 1 1 150 150 ASP H H 1 8.31 0.02 . 1 . . . . 150 ASP H . 7406 1 501 . 1 1 150 150 ASP CA C 13 51.4 0.3 . 1 . . . . 150 ASP CA . 7406 1 502 . 1 1 150 150 ASP CB C 13 38.4 0.3 . 1 . . . . 150 ASP CB . 7406 1 503 . 1 1 150 150 ASP N N 15 121.9 0.3 . 1 . . . . 150 ASP N . 7406 1 stop_ save_