data_15045 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15045 _Entry.Title ; NMR SOLUTION STRUCTURE OF A MINIMAL TRANSMEMBRANE BETA-BARREL PLATFORM PROTEIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-20 _Entry.Accession_date 2006-11-20 _Entry.Last_release_date 2007-05-21 _Entry.Original_release_date 2007-05-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Maria Johansson . U. . 15045 2 Simon Alioth . . . 15045 3 Kaifeng Hu . . . 15045 4 Reto Walser . . . 15045 5 Ralf Koebnik . . . 15045 6 Konstantin Pervushin . . . 15045 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' . 15045 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratory of Physical Chemistry, ETH Z rich, Switzerland' . 15045 2 . 'Swedish NMR Centre at Goteborg University, Sweden' . 15045 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'membrane protein' . 15045 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15045 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 15045 '15N chemical shifts' 110 15045 '1H chemical shifts' 110 15045 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 . . 2007-05-21 2006-11-20 original author . 15045 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JMM 'BMRB Entry Tracking System' 15045 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15045 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17260943 _Citation.Full_citation . _Citation.Title ; A Minimal Transmembrane Beta-Barrel Platform Protein Studied by NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 5 _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 1128 _Citation.Page_last 1140 _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 Maria Johansson . U. . 15045 1 2 Simon Alioth . . . 15045 1 3 Kaifeng Hu . . . 15045 1 4 Reto Walser . . . 15045 1 5 Ralf Koebnik . . . 15045 1 6 Konstantin Pervushin . . . 15045 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15045 _Assembly.ID 1 _Assembly.Name 'BBP+EF in DHPC micelles' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _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 'BBP+EF in DHPC micelles' 1 $BBP+EF A . yes native no no . . . 15045 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BBP+EF _Entity.Sf_category entity _Entity.Sf_framecode BBP+EF _Entity.Entry_ID 15045 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BBP+EF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details ; DHPC stands for the detergent dihexanoylphosphatidylcholine (1,2-dihexanoyl-sn-glycero-3-phosphocholine) ; _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPKDNTWYTGAKLGWSQYSR ENQLGAGAFGGYQVNPYVGF EMGYDWLGRMPRKAQGVQLT AKLGYPKLGTDDLDIYTRLG GMVWRADTSDKDGNGYISAA EASVSPVFAGGVEYVIRRRI TPEIATRLEYQWTNNASDNG MLSLGVSYRFGQGEAA ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17206.318 _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 PDB 2JMM . "Nmr Solution Structure Of A Minimal Transmembrane Beta- Barrel Platform Protein" . . . . . 100.00 156 100.00 100.00 1.73e-108 . . . . 15045 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 . 15045 1 2 . PRO . 15045 1 3 . LYS . 15045 1 4 . ASP . 15045 1 5 . ASN . 15045 1 6 . THR . 15045 1 7 . TRP . 15045 1 8 . TYR . 15045 1 9 . THR . 15045 1 10 . GLY . 15045 1 11 . ALA . 15045 1 12 . LYS . 15045 1 13 . LEU . 15045 1 14 . GLY . 15045 1 15 . TRP . 15045 1 16 . SER . 15045 1 17 . GLN . 15045 1 18 . TYR . 15045 1 19 . SER . 15045 1 20 . ARG . 15045 1 21 . GLU . 15045 1 22 . ASN . 15045 1 23 . GLN . 15045 1 24 . LEU . 15045 1 25 . GLY . 15045 1 26 . ALA . 15045 1 27 . GLY . 15045 1 28 . ALA . 15045 1 29 . PHE . 15045 1 30 . GLY . 15045 1 31 . GLY . 15045 1 32 . TYR . 15045 1 33 . GLN . 15045 1 34 . VAL . 15045 1 35 . ASN . 15045 1 36 . PRO . 15045 1 37 . TYR . 15045 1 38 . VAL . 15045 1 39 . GLY . 15045 1 40 . PHE . 15045 1 41 . GLU . 15045 1 42 . MET . 15045 1 43 . GLY . 15045 1 44 . TYR . 15045 1 45 . ASP . 15045 1 46 . TRP . 15045 1 47 . LEU . 15045 1 48 . GLY . 15045 1 49 . ARG . 15045 1 50 . MET . 15045 1 51 . PRO . 15045 1 52 . ARG . 15045 1 53 . LYS . 15045 1 54 . ALA . 15045 1 55 . GLN . 15045 1 56 . GLY . 15045 1 57 . VAL . 15045 1 58 . GLN . 15045 1 59 . LEU . 15045 1 60 . THR . 15045 1 61 . ALA . 15045 1 62 . LYS . 15045 1 63 . LEU . 15045 1 64 . GLY . 15045 1 65 . TYR . 15045 1 66 . PRO . 15045 1 67 . LYS . 15045 1 68 . LEU . 15045 1 69 . GLY . 15045 1 70 . THR . 15045 1 71 . ASP . 15045 1 72 . ASP . 15045 1 73 . LEU . 15045 1 74 . ASP . 15045 1 75 . ILE . 15045 1 76 . TYR . 15045 1 77 . THR . 15045 1 78 . ARG . 15045 1 79 . LEU . 15045 1 80 . GLY . 15045 1 81 . GLY . 15045 1 82 . MET . 15045 1 83 . VAL . 15045 1 84 . TRP . 15045 1 85 . ARG . 15045 1 86 . ALA . 15045 1 87 . ASP . 15045 1 88 . THR . 15045 1 89 . SER . 15045 1 90 . ASP . 15045 1 91 . LYS . 15045 1 92 . ASP . 15045 1 93 . GLY . 15045 1 94 . ASN . 15045 1 95 . GLY . 15045 1 96 . TYR . 15045 1 97 . ILE . 15045 1 98 . SER . 15045 1 99 . ALA . 15045 1 100 . ALA . 15045 1 101 . GLU . 15045 1 102 . ALA . 15045 1 103 . SER . 15045 1 104 . VAL . 15045 1 105 . SER . 15045 1 106 . PRO . 15045 1 107 . VAL . 15045 1 108 . PHE . 15045 1 109 . ALA . 15045 1 110 . GLY . 15045 1 111 . GLY . 15045 1 112 . VAL . 15045 1 113 . GLU . 15045 1 114 . TYR . 15045 1 115 . VAL . 15045 1 116 . ILE . 15045 1 117 . ARG . 15045 1 118 . ARG . 15045 1 119 . ARG . 15045 1 120 . ILE . 15045 1 121 . THR . 15045 1 122 . PRO . 15045 1 123 . GLU . 15045 1 124 . ILE . 15045 1 125 . ALA . 15045 1 126 . THR . 15045 1 127 . ARG . 15045 1 128 . LEU . 15045 1 129 . GLU . 15045 1 130 . TYR . 15045 1 131 . GLN . 15045 1 132 . TRP . 15045 1 133 . THR . 15045 1 134 . ASN . 15045 1 135 . ASN . 15045 1 136 . ALA . 15045 1 137 . SER . 15045 1 138 . ASP . 15045 1 139 . ASN . 15045 1 140 . GLY . 15045 1 141 . MET . 15045 1 142 . LEU . 15045 1 143 . SER . 15045 1 144 . LEU . 15045 1 145 . GLY . 15045 1 146 . VAL . 15045 1 147 . SER . 15045 1 148 . TYR . 15045 1 149 . ARG . 15045 1 150 . PHE . 15045 1 151 . GLY . 15045 1 152 . GLN . 15045 1 153 . GLY . 15045 1 154 . GLU . 15045 1 155 . ALA . 15045 1 156 . ALA . 15045 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 15045 1 . PRO 2 2 15045 1 . LYS 3 3 15045 1 . ASP 4 4 15045 1 . ASN 5 5 15045 1 . THR 6 6 15045 1 . TRP 7 7 15045 1 . TYR 8 8 15045 1 . THR 9 9 15045 1 . GLY 10 10 15045 1 . ALA 11 11 15045 1 . LYS 12 12 15045 1 . LEU 13 13 15045 1 . GLY 14 14 15045 1 . TRP 15 15 15045 1 . SER 16 16 15045 1 . GLN 17 17 15045 1 . TYR 18 18 15045 1 . SER 19 19 15045 1 . ARG 20 20 15045 1 . GLU 21 21 15045 1 . ASN 22 22 15045 1 . GLN 23 23 15045 1 . LEU 24 24 15045 1 . GLY 25 25 15045 1 . ALA 26 26 15045 1 . GLY 27 27 15045 1 . ALA 28 28 15045 1 . PHE 29 29 15045 1 . GLY 30 30 15045 1 . GLY 31 31 15045 1 . TYR 32 32 15045 1 . GLN 33 33 15045 1 . VAL 34 34 15045 1 . ASN 35 35 15045 1 . PRO 36 36 15045 1 . TYR 37 37 15045 1 . VAL 38 38 15045 1 . GLY 39 39 15045 1 . PHE 40 40 15045 1 . GLU 41 41 15045 1 . MET 42 42 15045 1 . GLY 43 43 15045 1 . TYR 44 44 15045 1 . ASP 45 45 15045 1 . TRP 46 46 15045 1 . LEU 47 47 15045 1 . GLY 48 48 15045 1 . ARG 49 49 15045 1 . MET 50 50 15045 1 . PRO 51 51 15045 1 . ARG 52 52 15045 1 . LYS 53 53 15045 1 . ALA 54 54 15045 1 . GLN 55 55 15045 1 . GLY 56 56 15045 1 . VAL 57 57 15045 1 . GLN 58 58 15045 1 . LEU 59 59 15045 1 . THR 60 60 15045 1 . ALA 61 61 15045 1 . LYS 62 62 15045 1 . LEU 63 63 15045 1 . GLY 64 64 15045 1 . TYR 65 65 15045 1 . PRO 66 66 15045 1 . LYS 67 67 15045 1 . LEU 68 68 15045 1 . GLY 69 69 15045 1 . THR 70 70 15045 1 . ASP 71 71 15045 1 . ASP 72 72 15045 1 . LEU 73 73 15045 1 . ASP 74 74 15045 1 . ILE 75 75 15045 1 . TYR 76 76 15045 1 . THR 77 77 15045 1 . ARG 78 78 15045 1 . LEU 79 79 15045 1 . GLY 80 80 15045 1 . GLY 81 81 15045 1 . MET 82 82 15045 1 . VAL 83 83 15045 1 . TRP 84 84 15045 1 . ARG 85 85 15045 1 . ALA 86 86 15045 1 . ASP 87 87 15045 1 . THR 88 88 15045 1 . SER 89 89 15045 1 . ASP 90 90 15045 1 . LYS 91 91 15045 1 . ASP 92 92 15045 1 . GLY 93 93 15045 1 . ASN 94 94 15045 1 . GLY 95 95 15045 1 . TYR 96 96 15045 1 . ILE 97 97 15045 1 . SER 98 98 15045 1 . ALA 99 99 15045 1 . ALA 100 100 15045 1 . GLU 101 101 15045 1 . ALA 102 102 15045 1 . SER 103 103 15045 1 . VAL 104 104 15045 1 . SER 105 105 15045 1 . PRO 106 106 15045 1 . VAL 107 107 15045 1 . PHE 108 108 15045 1 . ALA 109 109 15045 1 . GLY 110 110 15045 1 . GLY 111 111 15045 1 . VAL 112 112 15045 1 . GLU 113 113 15045 1 . TYR 114 114 15045 1 . VAL 115 115 15045 1 . ILE 116 116 15045 1 . ARG 117 117 15045 1 . ARG 118 118 15045 1 . ARG 119 119 15045 1 . ILE 120 120 15045 1 . THR 121 121 15045 1 . PRO 122 122 15045 1 . GLU 123 123 15045 1 . ILE 124 124 15045 1 . ALA 125 125 15045 1 . THR 126 126 15045 1 . ARG 127 127 15045 1 . LEU 128 128 15045 1 . GLU 129 129 15045 1 . TYR 130 130 15045 1 . GLN 131 131 15045 1 . TRP 132 132 15045 1 . THR 133 133 15045 1 . ASN 134 134 15045 1 . ASN 135 135 15045 1 . ALA 136 136 15045 1 . SER 137 137 15045 1 . ASP 138 138 15045 1 . ASN 139 139 15045 1 . GLY 140 140 15045 1 . MET 141 141 15045 1 . LEU 142 142 15045 1 . SER 143 143 15045 1 . LEU 144 144 15045 1 . GLY 145 145 15045 1 . VAL 146 146 15045 1 . SER 147 147 15045 1 . TYR 148 148 15045 1 . ARG 149 149 15045 1 . PHE 150 150 15045 1 . GLY 151 151 15045 1 . GLN 152 152 15045 1 . GLY 153 153 15045 1 . GLU 154 154 15045 1 . ALA 155 155 15045 1 . ALA 156 156 15045 1 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 15045 _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 $BBP+EF . 562 . . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15045 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 15045 _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 $BBP+EF . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET-3b . . . . . . 15045 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15045 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BBP+EF '[U-100% 13C; U-100% 15N; 80% 2H]' . . 1 $BBP+EF . . 1 . . mM . . . . 15045 1 2 H2O . . . . . . . 90 . . % . . . . 15045 1 3 D2O . . . . . . . 10 . . % . . . . 15045 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 15045 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 15045 1 pH 6 . pH 15045 1 pressure 1 . atm 15045 1 temperature 303 . K 15045 1 stop_ save_ ############################ # Computer software used # ############################ save_GROMACS _Software.Sf_category software _Software.Sf_framecode GROMACS _Software.Entry_ID 15045 _Software.ID 1 _Software.Name GROMACS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lindahl, Hess and van der Spoel' . . 15045 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15045 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15045 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15045 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15045 2 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 15045 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15045 _NMR_spectrometer.ID 2 _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 15045 _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 . 600 . . . 15045 1 2 spectrometer_2 Bruker Avance . 900 . . . 15045 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 15045 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15045 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15045 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15045 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15045 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15045 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15045 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15045 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15045 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 15045 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15045 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15045 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15045 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15045 _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' . . . 15045 1 2 '3D HNCA' . . . 15045 1 3 '3D HN(CO)CA' . . . 15045 1 4 '3D HNCACB' . . . 15045 1 5 '3D HNCO' . . . 15045 1 6 '3D HN(CA)CO' . . . 15045 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 ASP H H 1 8.23 . . 1 . . . . 4 ASP H . 15045 1 2 . 1 1 4 4 ASP C C 13 175.1 . . 1 . . . . 4 ASP C . 15045 1 3 . 1 1 4 4 ASP CA C 13 53.7 . . 1 . . . . 4 ASP CA . 15045 1 4 . 1 1 4 4 ASP CB C 13 40.5 . . 1 . . . . 4 ASP CB . 15045 1 5 . 1 1 4 4 ASP N N 15 119.6 . . 1 . . . . 4 ASP N . 15045 1 6 . 1 1 5 5 ASN H H 1 8.02 . . 1 . . . . 5 ASN H . 15045 1 7 . 1 1 5 5 ASN C C 13 174.2 . . 1 . . . . 5 ASN C . 15045 1 8 . 1 1 5 5 ASN CA C 13 53.7 . . 1 . . . . 5 ASN CA . 15045 1 9 . 1 1 5 5 ASN CB C 13 37.2 . . 1 . . . . 5 ASN CB . 15045 1 10 . 1 1 5 5 ASN N N 15 117.7 . . 1 . . . . 5 ASN N . 15045 1 11 . 1 1 6 6 THR H H 1 7.38 . . 1 . . . . 6 THR H . 15045 1 12 . 1 1 6 6 THR CA C 13 60.6 . . 1 . . . . 6 THR CA . 15045 1 13 . 1 1 6 6 THR CB C 13 71.1 . . 1 . . . . 6 THR CB . 15045 1 14 . 1 1 6 6 THR N N 15 110.9 . . 1 . . . . 6 THR N . 15045 1 15 . 1 1 7 7 TRP H H 1 8.58 . . 1 . . . . 7 TRP H . 15045 1 16 . 1 1 7 7 TRP C C 13 175.0 . . 1 . . . . 7 TRP C . 15045 1 17 . 1 1 7 7 TRP CA C 13 55.68 . . 1 . . . . 7 TRP CA . 15045 1 18 . 1 1 7 7 TRP CB C 13 31.5 . . 1 . . . . 7 TRP CB . 15045 1 19 . 1 1 7 7 TRP N N 15 123.1 . . 1 . . . . 7 TRP N . 15045 1 20 . 1 1 8 8 TYR H H 1 8.76 . . 1 . . . . 8 TYR H . 15045 1 21 . 1 1 8 8 TYR C C 13 174.0 . . 1 . . . . 8 TYR C . 15045 1 22 . 1 1 8 8 TYR CA C 13 55.5 . . 1 . . . . 8 TYR CA . 15045 1 23 . 1 1 8 8 TYR CB C 13 40.7 . . 1 . . . . 8 TYR CB . 15045 1 24 . 1 1 8 8 TYR N N 15 117.1 . . 1 . . . . 8 TYR N . 15045 1 25 . 1 1 9 9 THR H H 1 8.82 . . 1 . . . . 9 THR H . 15045 1 26 . 1 1 9 9 THR C C 13 172.4 . . 1 . . . . 9 THR C . 15045 1 27 . 1 1 9 9 THR CA C 13 59.4 . . 1 . . . . 9 THR CA . 15045 1 28 . 1 1 9 9 THR CB C 13 71.3 . . 1 . . . . 9 THR CB . 15045 1 29 . 1 1 9 9 THR N N 15 112.8 . . 1 . . . . 9 THR N . 15045 1 30 . 1 1 10 10 GLY H H 1 8.55 . . 1 . . . . 10 GLY H . 15045 1 31 . 1 1 10 10 GLY C C 13 170.4 . . 1 . . . . 10 GLY C . 15045 1 32 . 1 1 10 10 GLY CA C 13 45.7 . . 1 . . . . 10 GLY CA . 15045 1 33 . 1 1 10 10 GLY N N 15 112.0 . . 1 . . . . 10 GLY N . 15045 1 34 . 1 1 11 11 ALA H H 1 8.17 . . 1 . . . . 11 ALA H . 15045 1 35 . 1 1 11 11 ALA C C 13 174.6 . . 1 . . . . 11 ALA C . 15045 1 36 . 1 1 11 11 ALA CA C 13 49.8 . . 1 . . . . 11 ALA CA . 15045 1 37 . 1 1 11 11 ALA CB C 13 22.2 . . 1 . . . . 11 ALA CB . 15045 1 38 . 1 1 11 11 ALA N N 15 118.8 . . 1 . . . . 11 ALA N . 15045 1 39 . 1 1 12 12 LYS H H 1 8.99 . . 1 . . . . 12 LYS H . 15045 1 40 . 1 1 12 12 LYS C C 13 172.9 . . 1 . . . . 12 LYS C . 15045 1 41 . 1 1 12 12 LYS CA C 13 53.9 . . 1 . . . . 12 LYS CA . 15045 1 42 . 1 1 12 12 LYS CB C 13 36.3 . . 1 . . . . 12 LYS CB . 15045 1 43 . 1 1 12 12 LYS N N 15 116.3 . . 1 . . . . 12 LYS N . 15045 1 44 . 1 1 13 13 LEU H H 1 8.68 . . 1 . . . . 13 LEU H . 15045 1 45 . 1 1 13 13 LEU C C 13 175.2 . . 1 . . . . 13 LEU C . 15045 1 46 . 1 1 13 13 LEU CA C 13 53.1 . . 1 . . . . 13 LEU CA . 15045 1 47 . 1 1 13 13 LEU CB C 13 45.4 . . 1 . . . . 13 LEU CB . 15045 1 48 . 1 1 13 13 LEU N N 15 120.2 . . 1 . . . . 13 LEU N . 15045 1 49 . 1 1 14 14 GLY H H 1 8.69 . . 1 . . . . 14 GLY H . 15045 1 50 . 1 1 14 14 GLY C C 13 170.9 . . 1 . . . . 14 GLY C . 15045 1 51 . 1 1 14 14 GLY CA C 13 44.9 . . 1 . . . . 14 GLY CA . 15045 1 52 . 1 1 14 14 GLY N N 15 108.8 . . 1 . . . . 14 GLY N . 15045 1 53 . 1 1 15 15 TRP H H 1 8.92 . . 1 . . . . 15 TRP H . 15045 1 54 . 1 1 15 15 TRP C C 13 174.3 . . 1 . . . . 15 TRP C . 15045 1 55 . 1 1 15 15 TRP CA C 13 55.3 . . 1 . . . . 15 TRP CA . 15045 1 56 . 1 1 15 15 TRP CB C 13 31.5 . . 1 . . . . 15 TRP CB . 15045 1 57 . 1 1 15 15 TRP N N 15 122.0 . . 1 . . . . 15 TRP N . 15045 1 58 . 1 1 16 16 SER H H 1 8.74 . . 1 . . . . 16 SER H . 15045 1 59 . 1 1 16 16 SER CA C 13 56.3 . . 1 . . . . 16 SER CA . 15045 1 60 . 1 1 16 16 SER CB C 13 65.5 . . 1 . . . . 16 SER CB . 15045 1 61 . 1 1 16 16 SER N N 15 120.8 . . 1 . . . . 16 SER N . 15045 1 62 . 1 1 27 27 GLY H H 1 8.25 . . 1 . . . . 27 GLY H . 15045 1 63 . 1 1 27 27 GLY CA C 13 46.3 . . 1 . . . . 27 GLY CA . 15045 1 64 . 1 1 27 27 GLY N N 15 104.6 . . 1 . . . . 27 GLY N . 15045 1 65 . 1 1 28 28 ALA H H 1 9.15 . . 1 . . . . 28 ALA H . 15045 1 66 . 1 1 28 28 ALA C C 13 176.3 . . 1 . . . . 28 ALA C . 15045 1 67 . 1 1 28 28 ALA CA C 13 49.6 . . 1 . . . . 28 ALA CA . 15045 1 68 . 1 1 28 28 ALA CB C 13 22.3 . . 1 . . . . 28 ALA CB . 15045 1 69 . 1 1 28 28 ALA N N 15 120.4 . . 1 . . . . 28 ALA N . 15045 1 70 . 1 1 29 29 PHE H H 1 8.54 . . 1 . . . . 29 PHE H . 15045 1 71 . 1 1 29 29 PHE C C 13 173.3 . . 1 . . . . 29 PHE C . 15045 1 72 . 1 1 29 29 PHE CA C 13 55.7 . . 1 . . . . 29 PHE CA . 15045 1 73 . 1 1 29 29 PHE CB C 13 41.5 . . 1 . . . . 29 PHE CB . 15045 1 74 . 1 1 29 29 PHE N N 15 119.3 . . 1 . . . . 29 PHE N . 15045 1 75 . 1 1 30 30 GLY H H 1 9.07 . . 1 . . . . 30 GLY H . 15045 1 76 . 1 1 30 30 GLY C C 13 170.5 . . 1 . . . . 30 GLY C . 15045 1 77 . 1 1 30 30 GLY CA C 13 45.1 . . 1 . . . . 30 GLY CA . 15045 1 78 . 1 1 30 30 GLY N N 15 106.9 . . 1 . . . . 30 GLY N . 15045 1 79 . 1 1 31 31 GLY H H 1 8.29 . . 1 . . . . 31 GLY H . 15045 1 80 . 1 1 31 31 GLY C C 13 169.6 . . 1 . . . . 31 GLY C . 15045 1 81 . 1 1 31 31 GLY CA C 13 45.8 . . 1 . . . . 31 GLY CA . 15045 1 82 . 1 1 31 31 GLY N N 15 109.4 . . 1 . . . . 31 GLY N . 15045 1 83 . 1 1 32 32 TYR H H 1 8.47 . . 1 . . . . 32 TYR H . 15045 1 84 . 1 1 32 32 TYR C C 13 173.4 . . 1 . . . . 32 TYR C . 15045 1 85 . 1 1 32 32 TYR CA C 13 55.4 . . 1 . . . . 32 TYR CA . 15045 1 86 . 1 1 32 32 TYR CB C 13 41.8 . . 1 . . . . 32 TYR CB . 15045 1 87 . 1 1 32 32 TYR N N 15 118.0 . . 1 . . . . 32 TYR N . 15045 1 88 . 1 1 33 33 GLN H H 1 8.76 . . 1 . . . . 33 GLN H . 15045 1 89 . 1 1 33 33 GLN C C 13 174.2 . . 1 . . . . 33 GLN C . 15045 1 90 . 1 1 33 33 GLN CA C 13 53.9 . . 1 . . . . 33 GLN CA . 15045 1 91 . 1 1 33 33 GLN CB C 13 28.0 . . 1 . . . . 33 GLN CB . 15045 1 92 . 1 1 33 33 GLN N N 15 129.0 . . 1 . . . . 33 GLN N . 15045 1 93 . 1 1 34 34 VAL H H 1 8.54 . . 1 . . . . 34 VAL H . 15045 1 94 . 1 1 34 34 VAL CA C 13 64.5 . . 1 . . . . 34 VAL CA . 15045 1 95 . 1 1 34 34 VAL CB C 13 31.8 . . 1 . . . . 34 VAL CB . 15045 1 96 . 1 1 34 34 VAL N N 15 127.8 . . 1 . . . . 34 VAL N . 15045 1 97 . 1 1 35 35 ASN H H 1 8.18 . . 1 . . . . 35 ASN H . 15045 1 98 . 1 1 35 35 ASN C C 13 172.6 . . 1 . . . . 35 ASN C . 15045 1 99 . 1 1 35 35 ASN CA C 13 51.4 . . 1 . . . . 35 ASN CA . 15045 1 100 . 1 1 35 35 ASN CB C 13 37.3 . . 1 . . . . 35 ASN CB . 15045 1 101 . 1 1 35 35 ASN N N 15 117.0 . . 1 . . . . 35 ASN N . 15045 1 102 . 1 1 36 36 PRO C C 13 175.3 . . 1 . . . . 36 PRO C . 15045 1 103 . 1 1 36 36 PRO CA C 13 65.2 . . 1 . . . . 36 PRO CA . 15045 1 104 . 1 1 36 36 PRO CB C 13 30.5 . . 1 . . . . 36 PRO CB . 15045 1 105 . 1 1 37 37 TYR H H 1 7.99 . . 1 . . . . 37 TYR H . 15045 1 106 . 1 1 37 37 TYR C C 13 175.3 . . 1 . . . . 37 TYR C . 15045 1 107 . 1 1 37 37 TYR CA C 13 57.0 . . 1 . . . . 37 TYR CA . 15045 1 108 . 1 1 37 37 TYR CB C 13 39.1 . . 1 . . . . 37 TYR CB . 15045 1 109 . 1 1 37 37 TYR N N 15 112.7 . . 1 . . . . 37 TYR N . 15045 1 110 . 1 1 38 38 VAL H H 1 7.37 . . 1 . . . . 38 VAL H . 15045 1 111 . 1 1 38 38 VAL C C 13 173.4 . . 1 . . . . 38 VAL C . 15045 1 112 . 1 1 38 38 VAL CA C 13 60.5 . . 1 . . . . 38 VAL CA . 15045 1 113 . 1 1 38 38 VAL CB C 13 34.3 . . 1 . . . . 38 VAL CB . 15045 1 114 . 1 1 38 38 VAL N N 15 117.9 . . 1 . . . . 38 VAL N . 15045 1 115 . 1 1 39 39 GLY H H 1 8.76 . . 1 . . . . 39 GLY H . 15045 1 116 . 1 1 39 39 GLY C C 13 170.7 . . 1 . . . . 39 GLY C . 15045 1 117 . 1 1 39 39 GLY CA C 13 43.7 . . 1 . . . . 39 GLY CA . 15045 1 118 . 1 1 39 39 GLY N N 15 115.1 . . 1 . . . . 39 GLY N . 15045 1 119 . 1 1 40 40 PHE H H 1 8.72 . . 1 . . . . 40 PHE H . 15045 1 120 . 1 1 40 40 PHE C C 13 173.1 . . 1 . . . . 40 PHE C . 15045 1 121 . 1 1 40 40 PHE CA C 13 56.2 . . 1 . . . . 40 PHE CA . 15045 1 122 . 1 1 40 40 PHE CB C 13 42.1 . . 1 . . . . 40 PHE CB . 15045 1 123 . 1 1 40 40 PHE N N 15 118.2 . . 1 . . . . 40 PHE N . 15045 1 124 . 1 1 41 41 GLU H H 1 9.17 . . 1 . . . . 41 GLU H . 15045 1 125 . 1 1 41 41 GLU C C 13 174.2 . . 1 . . . . 41 GLU C . 15045 1 126 . 1 1 41 41 GLU CA C 13 54.8 . . 1 . . . . 41 GLU CA . 15045 1 127 . 1 1 41 41 GLU CB C 13 33.8 . . 1 . . . . 41 GLU CB . 15045 1 128 . 1 1 41 41 GLU N N 15 121.9 . . 1 . . . . 41 GLU N . 15045 1 129 . 1 1 42 42 MET H H 1 9.45 . . 1 . . . . 42 MET H . 15045 1 130 . 1 1 42 42 MET C C 13 174.1 . . 1 . . . . 42 MET C . 15045 1 131 . 1 1 42 42 MET CA C 13 53.1 . . 1 . . . . 42 MET CA . 15045 1 132 . 1 1 42 42 MET CB C 13 35.9 . . 1 . . . . 42 MET CB . 15045 1 133 . 1 1 42 42 MET N N 15 125.6 . . 1 . . . . 42 MET N . 15045 1 134 . 1 1 43 43 GLY H H 1 8.88 . . 1 . . . . 43 GLY H . 15045 1 135 . 1 1 43 43 GLY C C 13 170.8 . . 1 . . . . 43 GLY C . 15045 1 136 . 1 1 43 43 GLY CA C 13 44.3 . . 1 . . . . 43 GLY CA . 15045 1 137 . 1 1 43 43 GLY N N 15 110.0 . . 1 . . . . 43 GLY N . 15045 1 138 . 1 1 44 44 TYR H H 1 8.89 . . 1 . . . . 44 TYR H . 15045 1 139 . 1 1 44 44 TYR C C 13 172.9 . . 1 . . . . 44 TYR C . 15045 1 140 . 1 1 44 44 TYR CA C 13 55.5 . . 1 . . . . 44 TYR CA . 15045 1 141 . 1 1 44 44 TYR CB C 13 41.4 . . 1 . . . . 44 TYR CB . 15045 1 142 . 1 1 44 44 TYR N N 15 123.6 . . 1 . . . . 44 TYR N . 15045 1 143 . 1 1 45 45 ASP H H 1 8.65 . . 1 . . . . 45 ASP H . 15045 1 144 . 1 1 45 45 ASP C C 13 173.4 . . 1 . . . . 45 ASP C . 15045 1 145 . 1 1 45 45 ASP CA C 13 52.7 . . 1 . . . . 45 ASP CA . 15045 1 146 . 1 1 45 45 ASP CB C 13 43.7 . . 1 . . . . 45 ASP CB . 15045 1 147 . 1 1 45 45 ASP N N 15 126.6 . . 1 . . . . 45 ASP N . 15045 1 148 . 1 1 46 46 TRP H H 1 8.96 . . 1 . . . . 46 TRP H . 15045 1 149 . 1 1 46 46 TRP C C 13 173.6 . . 1 . . . . 46 TRP C . 15045 1 150 . 1 1 46 46 TRP CA C 13 56.2 . . 1 . . . . 46 TRP CA . 15045 1 151 . 1 1 46 46 TRP N N 15 119.9 . . 1 . . . . 46 TRP N . 15045 1 152 . 1 1 47 47 LEU H H 1 8.13 . . 1 . . . . 47 LEU H . 15045 1 153 . 1 1 47 47 LEU C C 13 176.5 . . 1 . . . . 47 LEU C . 15045 1 154 . 1 1 47 47 LEU CA C 13 54.0 . . 1 . . . . 47 LEU CA . 15045 1 155 . 1 1 47 47 LEU CB C 13 40.5 . . 1 . . . . 47 LEU CB . 15045 1 156 . 1 1 47 47 LEU N N 15 120.4 . . 1 . . . . 47 LEU N . 15045 1 157 . 1 1 48 48 GLY H H 1 8.27 . . 1 . . . . 48 GLY H . 15045 1 158 . 1 1 48 48 GLY C C 13 173.8 . . 1 . . . . 48 GLY C . 15045 1 159 . 1 1 48 48 GLY CA C 13 44.8 . . 1 . . . . 48 GLY CA . 15045 1 160 . 1 1 48 48 GLY N N 15 109.2 . . 1 . . . . 48 GLY N . 15045 1 161 . 1 1 56 56 GLY H H 1 8.86 . . 1 . . . . 56 GLY H . 15045 1 162 . 1 1 56 56 GLY C C 13 171.2 . . 1 . . . . 56 GLY C . 15045 1 163 . 1 1 56 56 GLY CA C 13 45.2 . . 1 . . . . 56 GLY CA . 15045 1 164 . 1 1 56 56 GLY N N 15 107.6 . . 1 . . . . 56 GLY N . 15045 1 165 . 1 1 57 57 VAL H H 1 8.92 . . 1 . . . . 57 VAL H . 15045 1 166 . 1 1 57 57 VAL C C 13 173.5 . . 1 . . . . 57 VAL C . 15045 1 167 . 1 1 57 57 VAL CA C 13 59.1 . . 1 . . . . 57 VAL CA . 15045 1 168 . 1 1 57 57 VAL CB C 13 33.8 . . 1 . . . . 57 VAL CB . 15045 1 169 . 1 1 57 57 VAL N N 15 119.9 . . 1 . . . . 57 VAL N . 15045 1 170 . 1 1 58 58 GLN H H 1 9.32 . . 1 . . . . 58 GLN H . 15045 1 171 . 1 1 58 58 GLN C C 13 174.0 . . 1 . . . . 58 GLN C . 15045 1 172 . 1 1 58 58 GLN CA C 13 52.1 . . 1 . . . . 58 GLN CA . 15045 1 173 . 1 1 58 58 GLN CB C 13 33.1 . . 1 . . . . 58 GLN CB . 15045 1 174 . 1 1 58 58 GLN N N 15 122.2 . . 1 . . . . 58 GLN N . 15045 1 175 . 1 1 59 59 LEU H H 1 8.47 . . 1 . . . . 59 LEU H . 15045 1 176 . 1 1 59 59 LEU C C 13 175.0 . . 1 . . . . 59 LEU C . 15045 1 177 . 1 1 59 59 LEU CA C 13 53.6 . . 1 . . . . 59 LEU CA . 15045 1 178 . 1 1 59 59 LEU CB C 13 44.3 . . 1 . . . . 59 LEU CB . 15045 1 179 . 1 1 59 59 LEU N N 15 123.9 . . 1 . . . . 59 LEU N . 15045 1 180 . 1 1 60 60 THR H H 1 9.06 . . 1 . . . . 60 THR H . 15045 1 181 . 1 1 60 60 THR C C 13 173.1 . . 1 . . . . 60 THR C . 15045 1 182 . 1 1 60 60 THR CA C 13 58.8 . . 1 . . . . 60 THR CA . 15045 1 183 . 1 1 60 60 THR CB C 13 73.1 . . 1 . . . . 60 THR CB . 15045 1 184 . 1 1 60 60 THR N N 15 112.7 . . 1 . . . . 60 THR N . 15045 1 185 . 1 1 61 61 ALA H H 1 8.65 . . 1 . . . . 61 ALA H . 15045 1 186 . 1 1 61 61 ALA C C 13 175.0 . . 1 . . . . 61 ALA C . 15045 1 187 . 1 1 61 61 ALA CA C 13 49.7 . . 1 . . . . 61 ALA CA . 15045 1 188 . 1 1 61 61 ALA CB C 13 18.9 . . 1 . . . . 61 ALA CB . 15045 1 189 . 1 1 61 61 ALA N N 15 121.3 . . 1 . . . . 61 ALA N . 15045 1 190 . 1 1 62 62 LYS H H 1 8.86 . . 1 . . . . 62 LYS H . 15045 1 191 . 1 1 62 62 LYS C C 13 174.7 . . 1 . . . . 62 LYS C . 15045 1 192 . 1 1 62 62 LYS CA C 13 54.0 . . 1 . . . . 62 LYS CA . 15045 1 193 . 1 1 62 62 LYS CB C 13 32.5 . . 1 . . . . 62 LYS CB . 15045 1 194 . 1 1 62 62 LYS N N 15 125.0 . . 1 . . . . 62 LYS N . 15045 1 195 . 1 1 63 63 LEU H H 1 9.22 . . 1 . . . . 63 LEU H . 15045 1 196 . 1 1 63 63 LEU C C 13 175.1 . . 1 . . . . 63 LEU C . 15045 1 197 . 1 1 63 63 LEU CA C 13 52.4 . . 1 . . . . 63 LEU CA . 15045 1 198 . 1 1 63 63 LEU CB C 13 42.3 . . 1 . . . . 63 LEU CB . 15045 1 199 . 1 1 63 63 LEU N N 15 131.6 . . 1 . . . . 63 LEU N . 15045 1 200 . 1 1 64 64 GLY H H 1 8.98 . . 1 . . . . 64 GLY H . 15045 1 201 . 1 1 64 64 GLY C C 13 171.1 . . 1 . . . . 64 GLY C . 15045 1 202 . 1 1 64 64 GLY CA C 13 44.3 . . 1 . . . . 64 GLY CA . 15045 1 203 . 1 1 64 64 GLY N N 15 111.5 . . 1 . . . . 64 GLY N . 15045 1 204 . 1 1 65 65 TYR H H 1 8.20 . . 1 . . . . 65 TYR H . 15045 1 205 . 1 1 65 65 TYR C C 13 174.0 . . 1 . . . . 65 TYR C . 15045 1 206 . 1 1 65 65 TYR CA C 13 54.4 . . 1 . . . . 65 TYR CA . 15045 1 207 . 1 1 65 65 TYR CB C 13 39.3 . . 1 . . . . 65 TYR CB . 15045 1 208 . 1 1 65 65 TYR N N 15 116.7 . . 1 . . . . 65 TYR N . 15045 1 209 . 1 1 70 70 THR H H 1 8.21 . . 1 . . . . 70 THR H . 15045 1 210 . 1 1 70 70 THR C C 13 174.1 . . 1 . . . . 70 THR C . 15045 1 211 . 1 1 70 70 THR CA C 13 59.8 . . 1 . . . . 70 THR CA . 15045 1 212 . 1 1 70 70 THR CB C 13 69.9 . . 1 . . . . 70 THR CB . 15045 1 213 . 1 1 70 70 THR N N 15 113.4 . . 1 . . . . 70 THR N . 15045 1 214 . 1 1 71 71 ASP H H 1 8.39 . . 1 . . . . 71 ASP H . 15045 1 215 . 1 1 71 71 ASP C C 13 176.3 . . 1 . . . . 71 ASP C . 15045 1 216 . 1 1 71 71 ASP CA C 13 55.2 . . 1 . . . . 71 ASP CA . 15045 1 217 . 1 1 71 71 ASP CB C 13 40.2 . . 1 . . . . 71 ASP CB . 15045 1 218 . 1 1 71 71 ASP N N 15 120.9 . . 1 . . . . 71 ASP N . 15045 1 219 . 1 1 72 72 ASP H H 1 8.04 . . 1 . . . . 72 ASP H . 15045 1 220 . 1 1 72 72 ASP C C 13 173.7 . . 1 . . . . 72 ASP C . 15045 1 221 . 1 1 72 72 ASP CA C 13 54.2 . . 1 . . . . 72 ASP CA . 15045 1 222 . 1 1 72 72 ASP CB C 13 40.8 . . 1 . . . . 72 ASP CB . 15045 1 223 . 1 1 72 72 ASP N N 15 116.7 . . 1 . . . . 72 ASP N . 15045 1 224 . 1 1 73 73 LEU H H 1 7.53 . . 1 . . . . 73 LEU H . 15045 1 225 . 1 1 73 73 LEU C C 13 174.1 . . 1 . . . . 73 LEU C . 15045 1 226 . 1 1 73 73 LEU CA C 13 53.7 . . 1 . . . . 73 LEU CA . 15045 1 227 . 1 1 73 73 LEU CB C 13 44.0 . . 1 . . . . 73 LEU CB . 15045 1 228 . 1 1 73 73 LEU N N 15 121.9 . . 1 . . . . 73 LEU N . 15045 1 229 . 1 1 74 74 ASP H H 1 9.11 . . 1 . . . . 74 ASP H . 15045 1 230 . 1 1 74 74 ASP C C 13 174.8 . . 1 . . . . 74 ASP C . 15045 1 231 . 1 1 74 74 ASP CA C 13 52.5 . . 1 . . . . 74 ASP CA . 15045 1 232 . 1 1 74 74 ASP CB C 13 42.8 . . 1 . . . . 74 ASP CB . 15045 1 233 . 1 1 74 74 ASP N N 15 126.2 . . 1 . . . . 74 ASP N . 15045 1 234 . 1 1 75 75 ILE H H 1 8.47 . . 1 . . . . 75 ILE H . 15045 1 235 . 1 1 75 75 ILE C C 13 174.5 . . 1 . . . . 75 ILE C . 15045 1 236 . 1 1 75 75 ILE CA C 13 59.5 . . 1 . . . . 75 ILE CA . 15045 1 237 . 1 1 75 75 ILE CB C 13 38.1 . . 1 . . . . 75 ILE CB . 15045 1 238 . 1 1 75 75 ILE N N 15 123.4 . . 1 . . . . 75 ILE N . 15045 1 239 . 1 1 76 76 TYR H H 1 8.60 . . 1 . . . . 76 TYR H . 15045 1 240 . 1 1 76 76 TYR C C 13 172.9 . . 1 . . . . 76 TYR C . 15045 1 241 . 1 1 76 76 TYR CA C 13 56.0 . . 1 . . . . 76 TYR CA . 15045 1 242 . 1 1 76 76 TYR CB C 13 41.4 . . 1 . . . . 76 TYR CB . 15045 1 243 . 1 1 76 76 TYR N N 15 123.1 . . 1 . . . . 76 TYR N . 15045 1 244 . 1 1 77 77 THR H H 1 9.08 . . 1 . . . . 77 THR H . 15045 1 245 . 1 1 77 77 THR C C 13 174.1 . . 1 . . . . 77 THR C . 15045 1 246 . 1 1 77 77 THR CA C 13 58.4 . . 1 . . . . 77 THR CA . 15045 1 247 . 1 1 77 77 THR CB C 13 71.9 . . 1 . . . . 77 THR CB . 15045 1 248 . 1 1 77 77 THR N N 15 110.5 . . 1 . . . . 77 THR N . 15045 1 249 . 1 1 78 78 ARG H H 1 8.94 . . 1 . . . . 78 ARG H . 15045 1 250 . 1 1 78 78 ARG C C 13 174.9 . . 1 . . . . 78 ARG C . 15045 1 251 . 1 1 78 78 ARG CA C 13 54.0 . . 1 . . . . 78 ARG CA . 15045 1 252 . 1 1 78 78 ARG CB C 13 32.2 . . 1 . . . . 78 ARG CB . 15045 1 253 . 1 1 78 78 ARG N N 15 120.8 . . 1 . . . . 78 ARG N . 15045 1 254 . 1 1 79 79 LEU H H 1 8.44 . . 1 . . . . 79 LEU H . 15045 1 255 . 1 1 79 79 LEU CA C 13 53.7 . . 1 . . . . 79 LEU CA . 15045 1 256 . 1 1 79 79 LEU CB C 13 44.6 . . 1 . . . . 79 LEU CB . 15045 1 257 . 1 1 79 79 LEU N N 15 118.4 . . 1 . . . . 79 LEU N . 15045 1 258 . 1 1 80 80 GLY H H 1 8.11 . . 1 . . . . 80 GLY H . 15045 1 259 . 1 1 80 80 GLY C C 13 171.2 . . 1 . . . . 80 GLY C . 15045 1 260 . 1 1 80 80 GLY CA C 13 46.1 . . 1 . . . . 80 GLY CA . 15045 1 261 . 1 1 80 80 GLY N N 15 109.4 . . 1 . . . . 80 GLY N . 15045 1 262 . 1 1 81 81 GLY H H 1 8.33 . . 1 . . . . 81 GLY H . 15045 1 263 . 1 1 81 81 GLY C C 13 169.6 . . 1 . . . . 81 GLY C . 15045 1 264 . 1 1 81 81 GLY CA C 13 43.7 . . 1 . . . . 81 GLY CA . 15045 1 265 . 1 1 81 81 GLY N N 15 110.3 . . 1 . . . . 81 GLY N . 15045 1 266 . 1 1 82 82 MET H H 1 9.08 . . 1 . . . . 82 MET H . 15045 1 267 . 1 1 82 82 MET C C 13 173.9 . . 1 . . . . 82 MET C . 15045 1 268 . 1 1 82 82 MET CA C 13 53.2 . . 1 . . . . 82 MET CA . 15045 1 269 . 1 1 82 82 MET CB C 13 36.6 . . 1 . . . . 82 MET CB . 15045 1 270 . 1 1 82 82 MET N N 15 121.3 . . 1 . . . . 82 MET N . 15045 1 271 . 1 1 83 83 VAL H H 1 9.11 . . 1 . . . . 83 VAL H . 15045 1 272 . 1 1 83 83 VAL C C 13 174.1 . . 1 . . . . 83 VAL C . 15045 1 273 . 1 1 83 83 VAL CA C 13 59.2 . . 1 . . . . 83 VAL CA . 15045 1 274 . 1 1 83 83 VAL CB C 13 32.3 . . 1 . . . . 83 VAL CB . 15045 1 275 . 1 1 83 83 VAL N N 15 127.0 . . 1 . . . . 83 VAL N . 15045 1 276 . 1 1 84 84 TRP H H 1 9.00 . . 1 . . . . 84 TRP H . 15045 1 277 . 1 1 84 84 TRP C C 13 173.8 . . 1 . . . . 84 TRP C . 15045 1 278 . 1 1 84 84 TRP CA C 13 54.6 . . 1 . . . . 84 TRP CA . 15045 1 279 . 1 1 84 84 TRP CB C 13 32.5 . . 1 . . . . 84 TRP CB . 15045 1 280 . 1 1 84 84 TRP N N 15 125.3 . . 1 . . . . 84 TRP N . 15045 1 281 . 1 1 87 87 ASP H H 1 8.44 . . 1 . . . . 87 ASP H . 15045 1 282 . 1 1 87 87 ASP C C 13 176.3 . . 1 . . . . 87 ASP C . 15045 1 283 . 1 1 87 87 ASP CA C 13 53.7 . . 1 . . . . 87 ASP CA . 15045 1 284 . 1 1 87 87 ASP CB C 13 41.3 . . 1 . . . . 87 ASP CB . 15045 1 285 . 1 1 87 87 ASP N N 15 120.7 . . 1 . . . . 87 ASP N . 15045 1 286 . 1 1 88 88 THR H H 1 8.24 . . 1 . . . . 88 THR H . 15045 1 287 . 1 1 88 88 THR C C 13 174.4 . . 1 . . . . 88 THR C . 15045 1 288 . 1 1 88 88 THR CA C 13 60.7 . . 1 . . . . 88 THR CA . 15045 1 289 . 1 1 88 88 THR CB C 13 69.3 . . 1 . . . . 88 THR CB . 15045 1 290 . 1 1 88 88 THR N N 15 114.7 . . 1 . . . . 88 THR N . 15045 1 291 . 1 1 89 89 SER H H 1 8.38 . . 1 . . . . 89 SER H . 15045 1 292 . 1 1 89 89 SER C C 13 174.2 . . 1 . . . . 89 SER C . 15045 1 293 . 1 1 89 89 SER CA C 13 58.1 . . 1 . . . . 89 SER CA . 15045 1 294 . 1 1 89 89 SER CB C 13 63.3 . . 1 . . . . 89 SER CB . 15045 1 295 . 1 1 89 89 SER N N 15 118.4 . . 1 . . . . 89 SER N . 15045 1 296 . 1 1 90 90 ASP H H 1 8.39 . . 1 . . . . 90 ASP H . 15045 1 297 . 1 1 90 90 ASP C C 13 176.0 . . 1 . . . . 90 ASP C . 15045 1 298 . 1 1 90 90 ASP CA C 13 53.9 . . 1 . . . . 90 ASP CA . 15045 1 299 . 1 1 90 90 ASP CB C 13 40.2 . . 1 . . . . 90 ASP CB . 15045 1 300 . 1 1 90 90 ASP N N 15 122.6 . . 1 . . . . 90 ASP N . 15045 1 301 . 1 1 91 91 LYS H H 1 8.07 . . 1 . . . . 91 LYS H . 15045 1 302 . 1 1 91 91 LYS C C 13 176.1 . . 1 . . . . 91 LYS C . 15045 1 303 . 1 1 91 91 LYS CA C 13 55.7 . . 1 . . . . 91 LYS CA . 15045 1 304 . 1 1 91 91 LYS CB C 13 32.0 . . 1 . . . . 91 LYS CB . 15045 1 305 . 1 1 91 91 LYS N N 15 121.0 . . 1 . . . . 91 LYS N . 15045 1 306 . 1 1 92 92 ASP H H 1 8.19 . . 1 . . . . 92 ASP H . 15045 1 307 . 1 1 92 92 ASP C C 13 176.3 . . 1 . . . . 92 ASP C . 15045 1 308 . 1 1 92 92 ASP CA C 13 54.1 . . 1 . . . . 92 ASP CA . 15045 1 309 . 1 1 92 92 ASP CB C 13 40.5 . . 1 . . . . 92 ASP CB . 15045 1 310 . 1 1 92 92 ASP N N 15 121.4 . . 1 . . . . 92 ASP N . 15045 1 311 . 1 1 93 93 GLY H H 1 8.14 . . 1 . . . . 93 GLY H . 15045 1 312 . 1 1 93 93 GLY C C 13 174.3 . . 1 . . . . 93 GLY C . 15045 1 313 . 1 1 93 93 GLY CA C 13 45.2 . . 1 . . . . 93 GLY CA . 15045 1 314 . 1 1 93 93 GLY N N 15 109.2 . . 1 . . . . 93 GLY N . 15045 1 315 . 1 1 94 94 ASN H H 1 8.33 . . 1 . . . . 94 ASN H . 15045 1 316 . 1 1 94 94 ASN C C 13 175.5 . . 1 . . . . 94 ASN C . 15045 1 317 . 1 1 94 94 ASN CA C 13 52.9 . . 1 . . . . 94 ASN CA . 15045 1 318 . 1 1 94 94 ASN CB C 13 38.3 . . 1 . . . . 94 ASN CB . 15045 1 319 . 1 1 94 94 ASN N N 15 119.1 . . 1 . . . . 94 ASN N . 15045 1 320 . 1 1 95 95 GLY H H 1 8.33 . . 1 . . . . 95 GLY H . 15045 1 321 . 1 1 95 95 GLY C C 13 173.6 . . 1 . . . . 95 GLY C . 15045 1 322 . 1 1 95 95 GLY CA C 13 44.9 . . 1 . . . . 95 GLY CA . 15045 1 323 . 1 1 95 95 GLY N N 15 109.3 . . 1 . . . . 95 GLY N . 15045 1 324 . 1 1 96 96 TYR H H 1 8.10 . . 1 . . . . 96 TYR H . 15045 1 325 . 1 1 96 96 TYR C C 13 175.7 . . 1 . . . . 96 TYR C . 15045 1 326 . 1 1 96 96 TYR CA C 13 57.6 . . 1 . . . . 96 TYR CA . 15045 1 327 . 1 1 96 96 TYR CB C 13 37.8 . . 1 . . . . 96 TYR CB . 15045 1 328 . 1 1 96 96 TYR N N 15 120.4 . . 1 . . . . 96 TYR N . 15045 1 329 . 1 1 97 97 ILE H H 1 7.99 . . 1 . . . . 97 ILE H . 15045 1 330 . 1 1 97 97 ILE C C 13 175.6 . . 1 . . . . 97 ILE C . 15045 1 331 . 1 1 97 97 ILE CA C 13 60.4 . . 1 . . . . 97 ILE CA . 15045 1 332 . 1 1 97 97 ILE CB C 13 37.7 . . 1 . . . . 97 ILE CB . 15045 1 333 . 1 1 97 97 ILE N N 15 122.6 . . 1 . . . . 97 ILE N . 15045 1 334 . 1 1 98 98 SER H H 1 8.17 . . 1 . . . . 98 SER H . 15045 1 335 . 1 1 98 98 SER C C 13 174.3 . . 1 . . . . 98 SER C . 15045 1 336 . 1 1 98 98 SER CA C 13 57.5 . . 1 . . . . 98 SER CA . 15045 1 337 . 1 1 98 98 SER CB C 13 63.2 . . 1 . . . . 98 SER CB . 15045 1 338 . 1 1 98 98 SER N N 15 119.9 . . 1 . . . . 98 SER N . 15045 1 339 . 1 1 99 99 ALA H H 1 8.30 . . 1 . . . . 99 ALA H . 15045 1 340 . 1 1 99 99 ALA C C 13 177.1 . . 1 . . . . 99 ALA C . 15045 1 341 . 1 1 99 99 ALA CA C 13 52.1 . . 1 . . . . 99 ALA CA . 15045 1 342 . 1 1 99 99 ALA CB C 13 18.1 . . 1 . . . . 99 ALA CB . 15045 1 343 . 1 1 99 99 ALA N N 15 126.5 . . 1 . . . . 99 ALA N . 15045 1 344 . 1 1 100 100 ALA H H 1 8.07 . . 1 . . . . 100 ALA H . 15045 1 345 . 1 1 100 100 ALA C C 13 177.4 . . 1 . . . . 100 ALA C . 15045 1 346 . 1 1 100 100 ALA CA C 13 52.0 . . 1 . . . . 100 ALA CA . 15045 1 347 . 1 1 100 100 ALA CB C 13 18.3 . . 1 . . . . 100 ALA CB . 15045 1 348 . 1 1 100 100 ALA N N 15 122.8 . . 1 . . . . 100 ALA N . 15045 1 349 . 1 1 101 101 GLU H H 1 8.06 . . 1 . . . . 101 GLU H . 15045 1 350 . 1 1 101 101 GLU C C 13 175.4 . . 1 . . . . 101 GLU C . 15045 1 351 . 1 1 101 101 GLU CA C 13 55.4 . . 1 . . . . 101 GLU CA . 15045 1 352 . 1 1 101 101 GLU CB C 13 29.6 . . 1 . . . . 101 GLU CB . 15045 1 353 . 1 1 101 101 GLU N N 15 119.5 . . 1 . . . . 101 GLU N . 15045 1 354 . 1 1 102 102 ALA H H 1 8.16 . . 1 . . . . 102 ALA H . 15045 1 355 . 1 1 102 102 ALA C C 13 176.3 . . 1 . . . . 102 ALA C . 15045 1 356 . 1 1 102 102 ALA CA C 13 51.1 . . 1 . . . . 102 ALA CA . 15045 1 357 . 1 1 102 102 ALA CB C 13 19.0 . . 1 . . . . 102 ALA CB . 15045 1 358 . 1 1 102 102 ALA N N 15 124.7 . . 1 . . . . 102 ALA N . 15045 1 359 . 1 1 103 103 SER H H 1 8.15 . . 1 . . . . 103 SER H . 15045 1 360 . 1 1 103 103 SER C C 13 171.9 . . 1 . . . . 103 SER C . 15045 1 361 . 1 1 103 103 SER CA C 13 57.0 . . 1 . . . . 103 SER CA . 15045 1 362 . 1 1 103 103 SER CB C 13 64.5 . . 1 . . . . 103 SER CB . 15045 1 363 . 1 1 103 103 SER N N 15 116.5 . . 1 . . . . 103 SER N . 15045 1 364 . 1 1 107 107 VAL H H 1 7.59 . . 1 . . . . 107 VAL H . 15045 1 365 . 1 1 107 107 VAL C C 13 170.3 . . 1 . . . . 107 VAL C . 15045 1 366 . 1 1 107 107 VAL CA C 13 59.2 . . 1 . . . . 107 VAL CA . 15045 1 367 . 1 1 107 107 VAL CB C 13 33.9 . . 1 . . . . 107 VAL CB . 15045 1 368 . 1 1 107 107 VAL N N 15 120.4 . . 1 . . . . 107 VAL N . 15045 1 369 . 1 1 108 108 PHE H H 1 7.94 . . 1 . . . . 108 PHE H . 15045 1 370 . 1 1 108 108 PHE C C 13 173.6 . . 1 . . . . 108 PHE C . 15045 1 371 . 1 1 108 108 PHE CA C 13 53.9 . . 1 . . . . 108 PHE CA . 15045 1 372 . 1 1 108 108 PHE CB C 13 41.5 . . 1 . . . . 108 PHE CB . 15045 1 373 . 1 1 108 108 PHE N N 15 123.6 . . 1 . . . . 108 PHE N . 15045 1 374 . 1 1 109 109 ALA H H 1 8.57 . . 1 . . . . 109 ALA H . 15045 1 375 . 1 1 109 109 ALA C C 13 176.6 . . 1 . . . . 109 ALA C . 15045 1 376 . 1 1 109 109 ALA CA C 13 50.3 . . 1 . . . . 109 ALA CA . 15045 1 377 . 1 1 109 109 ALA CB C 13 21.9 . . 1 . . . . 109 ALA CB . 15045 1 378 . 1 1 109 109 ALA N N 15 121.2 . . 1 . . . . 109 ALA N . 15045 1 379 . 1 1 110 110 GLY H H 1 8.78 . . 1 . . . . 110 GLY H . 15045 1 380 . 1 1 110 110 GLY C C 13 170.9 . . 1 . . . . 110 GLY C . 15045 1 381 . 1 1 110 110 GLY CA C 13 43.9 . . 1 . . . . 110 GLY CA . 15045 1 382 . 1 1 110 110 GLY N N 15 107.1 . . 1 . . . . 110 GLY N . 15045 1 383 . 1 1 111 111 GLY H H 1 8.03 . . 1 . . . . 111 GLY H . 15045 1 384 . 1 1 111 111 GLY C C 13 170.0 . . 1 . . . . 111 GLY C . 15045 1 385 . 1 1 111 111 GLY CA C 13 45.5 . . 1 . . . . 111 GLY CA . 15045 1 386 . 1 1 111 111 GLY N N 15 110.3 . . 1 . . . . 111 GLY N . 15045 1 387 . 1 1 112 112 VAL H H 1 8.48 . . 1 . . . . 112 VAL H . 15045 1 388 . 1 1 112 112 VAL C C 13 174.6 . . 1 . . . . 112 VAL C . 15045 1 389 . 1 1 112 112 VAL CA C 13 57.6 . . 1 . . . . 112 VAL CA . 15045 1 390 . 1 1 112 112 VAL CB C 13 34.4 . . 1 . . . . 112 VAL CB . 15045 1 391 . 1 1 112 112 VAL N N 15 111.7 . . 1 . . . . 112 VAL N . 15045 1 392 . 1 1 113 113 GLU H H 1 9.13 . . 1 . . . . 113 GLU H . 15045 1 393 . 1 1 113 113 GLU C C 13 174.3 . . 1 . . . . 113 GLU C . 15045 1 394 . 1 1 113 113 GLU CA C 13 54.1 . . 1 . . . . 113 GLU CA . 15045 1 395 . 1 1 113 113 GLU CB C 13 32.8 . . 1 . . . . 113 GLU CB . 15045 1 396 . 1 1 113 113 GLU N N 15 123.0 . . 1 . . . . 113 GLU N . 15045 1 397 . 1 1 114 114 TYR H H 1 9.04 . . 1 . . . . 114 TYR H . 15045 1 398 . 1 1 114 114 TYR C C 13 174.5 . . 1 . . . . 114 TYR C . 15045 1 399 . 1 1 114 114 TYR CA C 13 54.7 . . 1 . . . . 114 TYR CA . 15045 1 400 . 1 1 114 114 TYR CB C 13 41.6 . . 1 . . . . 114 TYR CB . 15045 1 401 . 1 1 114 114 TYR N N 15 126.4 . . 1 . . . . 114 TYR N . 15045 1 402 . 1 1 115 115 VAL H H 1 8.31 . . 1 . . . . 115 VAL H . 15045 1 403 . 1 1 115 115 VAL C C 13 174.2 . . 1 . . . . 115 VAL C . 15045 1 404 . 1 1 115 115 VAL CA C 13 62.9 . . 1 . . . . 115 VAL CA . 15045 1 405 . 1 1 115 115 VAL CB C 13 33.7 . . 1 . . . . 115 VAL CB . 15045 1 406 . 1 1 115 115 VAL N N 15 129.9 . . 1 . . . . 115 VAL N . 15045 1 407 . 1 1 124 124 ILE H H 1 7.27 . . 1 . . . . 124 ILE H . 15045 1 408 . 1 1 124 124 ILE C C 13 174.2 . . 1 . . . . 124 ILE C . 15045 1 409 . 1 1 124 124 ILE CA C 13 59.4 . . 1 . . . . 124 ILE CA . 15045 1 410 . 1 1 124 124 ILE CB C 13 39.3 . . 1 . . . . 124 ILE CB . 15045 1 411 . 1 1 124 124 ILE N N 15 117.9 . . 1 . . . . 124 ILE N . 15045 1 412 . 1 1 125 125 ALA H H 1 9.10 . . 1 . . . . 125 ALA H . 15045 1 413 . 1 1 125 125 ALA C C 13 176.4 . . 1 . . . . 125 ALA C . 15045 1 414 . 1 1 125 125 ALA CA C 13 49.1 . . 1 . . . . 125 ALA CA . 15045 1 415 . 1 1 125 125 ALA CB C 13 21.3 . . 1 . . . . 125 ALA CB . 15045 1 416 . 1 1 125 125 ALA N N 15 129.1 . . 1 . . . . 125 ALA N . 15045 1 417 . 1 1 126 126 THR H H 1 9.18 . . 1 . . . . 126 THR H . 15045 1 418 . 1 1 126 126 THR C C 13 172.7 . . 1 . . . . 126 THR C . 15045 1 419 . 1 1 126 126 THR CA C 13 59.8 . . 1 . . . . 126 THR CA . 15045 1 420 . 1 1 126 126 THR CB C 13 70.1 . . 1 . . . . 126 THR CB . 15045 1 421 . 1 1 126 126 THR N N 15 115.5 . . 1 . . . . 126 THR N . 15045 1 422 . 1 1 127 127 ARG H H 1 8.82 . . 1 . . . . 127 ARG H . 15045 1 423 . 1 1 127 127 ARG C C 13 173.7 . . 1 . . . . 127 ARG C . 15045 1 424 . 1 1 127 127 ARG CA C 13 53.4 . . 1 . . . . 127 ARG CA . 15045 1 425 . 1 1 127 127 ARG CB C 13 33.6 . . 1 . . . . 127 ARG CB . 15045 1 426 . 1 1 127 127 ARG N N 15 124.4 . . 1 . . . . 127 ARG N . 15045 1 427 . 1 1 128 128 LEU H H 1 8.69 . . 1 . . . . 128 LEU H . 15045 1 428 . 1 1 128 128 LEU C C 13 174.1 . . 1 . . . . 128 LEU C . 15045 1 429 . 1 1 128 128 LEU CA C 13 53.4 . . 1 . . . . 128 LEU CA . 15045 1 430 . 1 1 128 128 LEU CB C 13 44.1 . . 1 . . . . 128 LEU CB . 15045 1 431 . 1 1 128 128 LEU N N 15 127.8 . . 1 . . . . 128 LEU N . 15045 1 432 . 1 1 129 129 GLU H H 1 8.75 . . 1 . . . . 129 GLU H . 15045 1 433 . 1 1 129 129 GLU C C 13 173.0 . . 1 . . . . 129 GLU C . 15045 1 434 . 1 1 129 129 GLU CA C 13 54.2 . . 1 . . . . 129 GLU CA . 15045 1 435 . 1 1 129 129 GLU CB C 13 33.9 . . 1 . . . . 129 GLU CB . 15045 1 436 . 1 1 129 129 GLU N N 15 123.4 . . 1 . . . . 129 GLU N . 15045 1 437 . 1 1 130 130 TYR H H 1 8.93 . . 1 . . . . 130 TYR H . 15045 1 438 . 1 1 130 130 TYR C C 13 173.0 . . 1 . . . . 130 TYR C . 15045 1 439 . 1 1 130 130 TYR CA C 13 55.8 . . 1 . . . . 130 TYR CA . 15045 1 440 . 1 1 130 130 TYR CB C 13 41.0 . . 1 . . . . 130 TYR CB . 15045 1 441 . 1 1 130 130 TYR N N 15 125.9 . . 1 . . . . 130 TYR N . 15045 1 442 . 1 1 131 131 GLN H H 1 8.53 . . 1 . . . . 131 GLN H . 15045 1 443 . 1 1 131 131 GLN C C 13 173.4 . . 1 . . . . 131 GLN C . 15045 1 444 . 1 1 131 131 GLN CA C 13 53.1 . . 1 . . . . 131 GLN CA . 15045 1 445 . 1 1 131 131 GLN CB C 13 33.9 . . 1 . . . . 131 GLN CB . 15045 1 446 . 1 1 131 131 GLN N N 15 128.1 . . 1 . . . . 131 GLN N . 15045 1 447 . 1 1 132 132 TRP H H 1 9.42 . . 1 . . . . 132 TRP H . 15045 1 448 . 1 1 132 132 TRP C C 13 173.1 . . 1 . . . . 132 TRP C . 15045 1 449 . 1 1 132 132 TRP CA C 13 57.3 . . 1 . . . . 132 TRP CA . 15045 1 450 . 1 1 132 132 TRP CB C 13 31.6 . . 1 . . . . 132 TRP CB . 15045 1 451 . 1 1 132 132 TRP N N 15 127.7 . . 1 . . . . 132 TRP N . 15045 1 452 . 1 1 141 141 MET H H 1 8.45 . . 1 . . . . 141 MET H . 15045 1 453 . 1 1 141 141 MET C C 13 174.0 . . 1 . . . . 141 MET C . 15045 1 454 . 1 1 141 141 MET CA C 13 53.8 . . 1 . . . . 141 MET CA . 15045 1 455 . 1 1 141 141 MET CB C 13 36.1 . . 1 . . . . 141 MET CB . 15045 1 456 . 1 1 141 141 MET N N 15 119.8 . . 1 . . . . 141 MET N . 15045 1 457 . 1 1 142 142 LEU H H 1 8.67 . . 1 . . . . 142 LEU H . 15045 1 458 . 1 1 142 142 LEU C C 13 175.2 . . 1 . . . . 142 LEU C . 15045 1 459 . 1 1 142 142 LEU CA C 13 52.9 . . 1 . . . . 142 LEU CA . 15045 1 460 . 1 1 142 142 LEU CB C 13 43.8 . . 1 . . . . 142 LEU CB . 15045 1 461 . 1 1 142 142 LEU N N 15 131.2 . . 1 . . . . 142 LEU N . 15045 1 462 . 1 1 143 143 SER H H 1 9.58 . . 1 . . . . 143 SER H . 15045 1 463 . 1 1 143 143 SER C C 13 171.3 . . 1 . . . . 143 SER C . 15045 1 464 . 1 1 143 143 SER CA C 13 56.5 . . 1 . . . . 143 SER CA . 15045 1 465 . 1 1 143 143 SER CB C 13 66.4 . . 1 . . . . 143 SER CB . 15045 1 466 . 1 1 143 143 SER N N 15 119.3 . . 1 . . . . 143 SER N . 15045 1 467 . 1 1 144 144 LEU H H 1 8.70 . . 1 . . . . 144 LEU H . 15045 1 468 . 1 1 144 144 LEU C C 13 175.2 . . 1 . . . . 144 LEU C . 15045 1 469 . 1 1 144 144 LEU CA C 13 52.5 . . 1 . . . . 144 LEU CA . 15045 1 470 . 1 1 144 144 LEU CB C 13 45.0 . . 1 . . . . 144 LEU CB . 15045 1 471 . 1 1 144 144 LEU N N 15 123.0 . . 1 . . . . 144 LEU N . 15045 1 472 . 1 1 145 145 GLY H H 1 9.42 . . 1 . . . . 145 GLY H . 15045 1 473 . 1 1 145 145 GLY C C 13 172.0 . . 1 . . . . 145 GLY C . 15045 1 474 . 1 1 145 145 GLY CA C 13 43.9 . . 1 . . . . 145 GLY CA . 15045 1 475 . 1 1 145 145 GLY N N 15 111.0 . . 1 . . . . 145 GLY N . 15045 1 476 . 1 1 146 146 VAL H H 1 8.88 . . 1 . . . . 146 VAL H . 15045 1 477 . 1 1 146 146 VAL C C 13 172.8 . . 1 . . . . 146 VAL C . 15045 1 478 . 1 1 146 146 VAL CA C 13 59.3 . . 1 . . . . 146 VAL CA . 15045 1 479 . 1 1 146 146 VAL CB C 13 34.5 . . 1 . . . . 146 VAL CB . 15045 1 480 . 1 1 146 146 VAL N N 15 119.0 . . 1 . . . . 146 VAL N . 15045 1 481 . 1 1 147 147 SER H H 1 9.04 . . 1 . . . . 147 SER H . 15045 1 482 . 1 1 147 147 SER C C 13 172.6 . . 1 . . . . 147 SER C . 15045 1 483 . 1 1 147 147 SER CA C 13 55.7 . . 1 . . . . 147 SER CA . 15045 1 484 . 1 1 147 147 SER CB C 13 66.1 . . 1 . . . . 147 SER CB . 15045 1 485 . 1 1 147 147 SER N N 15 117.9 . . 1 . . . . 147 SER N . 15045 1 486 . 1 1 148 148 TYR H H 1 8.58 . . 1 . . . . 148 TYR H . 15045 1 487 . 1 1 148 148 TYR C C 13 175.0 . . 1 . . . . 148 TYR C . 15045 1 488 . 1 1 148 148 TYR CA C 13 55.2 . . 1 . . . . 148 TYR CA . 15045 1 489 . 1 1 148 148 TYR CB C 13 41.4 . . 1 . . . . 148 TYR CB . 15045 1 490 . 1 1 148 148 TYR N N 15 123.1 . . 1 . . . . 148 TYR N . 15045 1 491 . 1 1 149 149 ARG H H 1 8.68 . . 1 . . . . 149 ARG H . 15045 1 492 . 1 1 149 149 ARG C C 13 175.3 . . 1 . . . . 149 ARG C . 15045 1 493 . 1 1 149 149 ARG CA C 13 54.3 . . 1 . . . . 149 ARG CA . 15045 1 494 . 1 1 149 149 ARG CB C 13 31.3 . . 1 . . . . 149 ARG CB . 15045 1 495 . 1 1 149 149 ARG N N 15 120.9 . . 1 . . . . 149 ARG N . 15045 1 496 . 1 1 150 150 PHE H H 1 9.03 . . 1 . . . . 150 PHE H . 15045 1 497 . 1 1 150 150 PHE C C 13 175.2 . . 1 . . . . 150 PHE C . 15045 1 498 . 1 1 150 150 PHE CA C 13 57.1 . . 1 . . . . 150 PHE CA . 15045 1 499 . 1 1 150 150 PHE CB C 13 39.6 . . 1 . . . . 150 PHE CB . 15045 1 500 . 1 1 150 150 PHE N N 15 123.8 . . 1 . . . . 150 PHE N . 15045 1 501 . 1 1 151 151 GLY H H 1 8.49 . . 1 . . . . 151 GLY H . 15045 1 502 . 1 1 151 151 GLY C C 13 174.0 . . 1 . . . . 151 GLY C . 15045 1 503 . 1 1 151 151 GLY CA C 13 44.5 . . 1 . . . . 151 GLY CA . 15045 1 504 . 1 1 151 151 GLY N N 15 109.4 . . 1 . . . . 151 GLY N . 15045 1 505 . 1 1 152 152 GLN H H 1 8.55 . . 1 . . . . 152 GLN H . 15045 1 506 . 1 1 152 152 GLN C C 13 176.6 . . 1 . . . . 152 GLN C . 15045 1 507 . 1 1 152 152 GLN CA C 13 55.6 . . 1 . . . . 152 GLN CA . 15045 1 508 . 1 1 152 152 GLN CB C 13 28.7 . . 1 . . . . 152 GLN CB . 15045 1 509 . 1 1 152 152 GLN N N 15 120.4 . . 1 . . . . 152 GLN N . 15045 1 510 . 1 1 153 153 GLY H H 1 8.54 . . 1 . . . . 153 GLY H . 15045 1 511 . 1 1 153 153 GLY C C 13 173.9 . . 1 . . . . 153 GLY C . 15045 1 512 . 1 1 153 153 GLY CA C 13 44.7 . . 1 . . . . 153 GLY CA . 15045 1 513 . 1 1 153 153 GLY N N 15 110.9 . . 1 . . . . 153 GLY N . 15045 1 514 . 1 1 154 154 GLU H H 1 8.24 . . 1 . . . . 154 GLU H . 15045 1 515 . 1 1 154 154 GLU C C 13 175.9 . . 1 . . . . 154 GLU C . 15045 1 516 . 1 1 154 154 GLU CA C 13 55.8 . . 1 . . . . 154 GLU CA . 15045 1 517 . 1 1 154 154 GLU CB C 13 29.4 . . 1 . . . . 154 GLU CB . 15045 1 518 . 1 1 154 154 GLU N N 15 121.1 . . 1 . . . . 154 GLU N . 15045 1 519 . 1 1 155 155 ALA H H 1 8.24 . . 1 . . . . 155 ALA H . 15045 1 520 . 1 1 155 155 ALA C C 13 176.0 . . 1 . . . . 155 ALA C . 15045 1 521 . 1 1 155 155 ALA CA C 13 51.7 . . 1 . . . . 155 ALA CA . 15045 1 522 . 1 1 155 155 ALA CB C 13 18.2 . . 1 . . . . 155 ALA CB . 15045 1 523 . 1 1 155 155 ALA N N 15 125.7 . . 1 . . . . 155 ALA N . 15045 1 524 . 1 1 156 156 ALA H H 1 7.77 . . 1 . . . . 156 ALA H . 15045 1 525 . 1 1 156 156 ALA C C 13 182.0 . . 1 . . . . 156 ALA C . 15045 1 526 . 1 1 156 156 ALA CA C 13 53.1 . . 1 . . . . 156 ALA CA . 15045 1 527 . 1 1 156 156 ALA CB C 13 19.2 . . 1 . . . . 156 ALA CB . 15045 1 528 . 1 1 156 156 ALA N N 15 129.5 . . 1 . . . . 156 ALA N . 15045 1 stop_ save_