data_27012 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27012 _Entry.Title ; Chemical shift assignments (HN,N,CA,CB) of oxidised n-NmDsbD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-26 _Entry.Accession_date 2017-01-26 _Entry.Last_release_date 2017-01-30 _Entry.Original_release_date 2017-01-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 Roxanne Smith . P. . . 27012 2 Biswaranjan Mohanty . . . . 27012 3 Martin Williams . L. . . 27012 4 Begona Heras . . . . 27012 5 Martin Scanlon . J. . . 27012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 261 27012 '15N chemical shifts' 128 27012 '1H chemical shifts' 128 27012 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 . . 2018-02-06 2017-01-26 update BMRB 'update entry citation' 27012 1 . . 2017-06-30 2017-01-26 original author 'original release' 27012 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27013 'reduced n-NmDsbD' 27012 BMRB 27014 'oxidised c-NmDsbD' 27012 BMRB 27015 'reduced c-NmDsbD' 27012 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27012 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28589218 _Citation.Full_citation . _Citation.Title ; H(N), N, C(alpha) and C(beta) assignments of the two periplasmic domains of Neisseria meningitidis DsbD ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 181 _Citation.Page_last 186 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Roxanne Smith R. P. . . 27012 1 2 Biswaranjan Mohanty B. . . . 27012 1 3 Martin Williams M. L. . . 27012 1 4 Martin Scanlon M. J. . . 27012 1 5 Begona Heras B. . . . 27012 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27012 _Assembly.ID 1 _Assembly.Name 'n-NmDsbD monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 'N-terminal periplasmic domain NmDsbD' 1 $Oxidised_n-NmDsbD A . yes native no no . . . 27012 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 121 121 SG . 1 . 1 CYS 127 127 SG . . . . . . . . . . . . 27012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Oxidised_n-NmDsbD _Entity.Sf_category entity _Entity.Sf_framecode Oxidised_n-NmDsbD _Entity.Entry_ID 27012 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Oxidised_n-NmDsbD _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 ; MHHHHHHSSGVDLGTENLYF QSNANDLLPPEKAFVPELAV ADDGVNVRFRIADGYYMYQA KIVGKTDPADLLGQPSFSKG EEKEDEFFGRQTVYHHEAQV AFPYAKAVGEPYKLVLTYQG CAEVGVCYPPVDTEFDISGN GTYHPQT ; _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide 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 . 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 . 27012 1 2 . HIS . 27012 1 3 . HIS . 27012 1 4 . HIS . 27012 1 5 . HIS . 27012 1 6 . HIS . 27012 1 7 . HIS . 27012 1 8 . SER . 27012 1 9 . SER . 27012 1 10 . GLY . 27012 1 11 . VAL . 27012 1 12 . ASP . 27012 1 13 . LEU . 27012 1 14 . GLY . 27012 1 15 . THR . 27012 1 16 . GLU . 27012 1 17 . ASN . 27012 1 18 . LEU . 27012 1 19 . TYR . 27012 1 20 . PHE . 27012 1 21 . GLN . 27012 1 22 . SER . 27012 1 23 . ASN . 27012 1 24 . ALA . 27012 1 25 . ASN . 27012 1 26 . ASP . 27012 1 27 . LEU . 27012 1 28 . LEU . 27012 1 29 . PRO . 27012 1 30 . PRO . 27012 1 31 . GLU . 27012 1 32 . LYS . 27012 1 33 . ALA . 27012 1 34 . PHE . 27012 1 35 . VAL . 27012 1 36 . PRO . 27012 1 37 . GLU . 27012 1 38 . LEU . 27012 1 39 . ALA . 27012 1 40 . VAL . 27012 1 41 . ALA . 27012 1 42 . ASP . 27012 1 43 . ASP . 27012 1 44 . GLY . 27012 1 45 . VAL . 27012 1 46 . ASN . 27012 1 47 . VAL . 27012 1 48 . ARG . 27012 1 49 . PHE . 27012 1 50 . ARG . 27012 1 51 . ILE . 27012 1 52 . ALA . 27012 1 53 . ASP . 27012 1 54 . GLY . 27012 1 55 . TYR . 27012 1 56 . TYR . 27012 1 57 . MET . 27012 1 58 . TYR . 27012 1 59 . GLN . 27012 1 60 . ALA . 27012 1 61 . LYS . 27012 1 62 . ILE . 27012 1 63 . VAL . 27012 1 64 . GLY . 27012 1 65 . LYS . 27012 1 66 . THR . 27012 1 67 . ASP . 27012 1 68 . PRO . 27012 1 69 . ALA . 27012 1 70 . ASP . 27012 1 71 . LEU . 27012 1 72 . LEU . 27012 1 73 . GLY . 27012 1 74 . GLN . 27012 1 75 . PRO . 27012 1 76 . SER . 27012 1 77 . PHE . 27012 1 78 . SER . 27012 1 79 . LYS . 27012 1 80 . GLY . 27012 1 81 . GLU . 27012 1 82 . GLU . 27012 1 83 . LYS . 27012 1 84 . GLU . 27012 1 85 . ASP . 27012 1 86 . GLU . 27012 1 87 . PHE . 27012 1 88 . PHE . 27012 1 89 . GLY . 27012 1 90 . ARG . 27012 1 91 . GLN . 27012 1 92 . THR . 27012 1 93 . VAL . 27012 1 94 . TYR . 27012 1 95 . HIS . 27012 1 96 . HIS . 27012 1 97 . GLU . 27012 1 98 . ALA . 27012 1 99 . GLN . 27012 1 100 . VAL . 27012 1 101 . ALA . 27012 1 102 . PHE . 27012 1 103 . PRO . 27012 1 104 . TYR . 27012 1 105 . ALA . 27012 1 106 . LYS . 27012 1 107 . ALA . 27012 1 108 . VAL . 27012 1 109 . GLY . 27012 1 110 . GLU . 27012 1 111 . PRO . 27012 1 112 . TYR . 27012 1 113 . LYS . 27012 1 114 . LEU . 27012 1 115 . VAL . 27012 1 116 . LEU . 27012 1 117 . THR . 27012 1 118 . TYR . 27012 1 119 . GLN . 27012 1 120 . GLY . 27012 1 121 . CYS . 27012 1 122 . ALA . 27012 1 123 . GLU . 27012 1 124 . VAL . 27012 1 125 . GLY . 27012 1 126 . VAL . 27012 1 127 . CYS . 27012 1 128 . TYR . 27012 1 129 . PRO . 27012 1 130 . PRO . 27012 1 131 . VAL . 27012 1 132 . ASP . 27012 1 133 . THR . 27012 1 134 . GLU . 27012 1 135 . PHE . 27012 1 136 . ASP . 27012 1 137 . ILE . 27012 1 138 . SER . 27012 1 139 . GLY . 27012 1 140 . ASN . 27012 1 141 . GLY . 27012 1 142 . THR . 27012 1 143 . TYR . 27012 1 144 . HIS . 27012 1 145 . PRO . 27012 1 146 . GLN . 27012 1 147 . THR . 27012 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 27012 1 . HIS 2 2 27012 1 . HIS 3 3 27012 1 . HIS 4 4 27012 1 . HIS 5 5 27012 1 . HIS 6 6 27012 1 . HIS 7 7 27012 1 . SER 8 8 27012 1 . SER 9 9 27012 1 . GLY 10 10 27012 1 . VAL 11 11 27012 1 . ASP 12 12 27012 1 . LEU 13 13 27012 1 . GLY 14 14 27012 1 . THR 15 15 27012 1 . GLU 16 16 27012 1 . ASN 17 17 27012 1 . LEU 18 18 27012 1 . TYR 19 19 27012 1 . PHE 20 20 27012 1 . GLN 21 21 27012 1 . SER 22 22 27012 1 . ASN 23 23 27012 1 . ALA 24 24 27012 1 . ASN 25 25 27012 1 . ASP 26 26 27012 1 . LEU 27 27 27012 1 . LEU 28 28 27012 1 . PRO 29 29 27012 1 . PRO 30 30 27012 1 . GLU 31 31 27012 1 . LYS 32 32 27012 1 . ALA 33 33 27012 1 . PHE 34 34 27012 1 . VAL 35 35 27012 1 . PRO 36 36 27012 1 . GLU 37 37 27012 1 . LEU 38 38 27012 1 . ALA 39 39 27012 1 . VAL 40 40 27012 1 . ALA 41 41 27012 1 . ASP 42 42 27012 1 . ASP 43 43 27012 1 . GLY 44 44 27012 1 . VAL 45 45 27012 1 . ASN 46 46 27012 1 . VAL 47 47 27012 1 . ARG 48 48 27012 1 . PHE 49 49 27012 1 . ARG 50 50 27012 1 . ILE 51 51 27012 1 . ALA 52 52 27012 1 . ASP 53 53 27012 1 . GLY 54 54 27012 1 . TYR 55 55 27012 1 . TYR 56 56 27012 1 . MET 57 57 27012 1 . TYR 58 58 27012 1 . GLN 59 59 27012 1 . ALA 60 60 27012 1 . LYS 61 61 27012 1 . ILE 62 62 27012 1 . VAL 63 63 27012 1 . GLY 64 64 27012 1 . LYS 65 65 27012 1 . THR 66 66 27012 1 . ASP 67 67 27012 1 . PRO 68 68 27012 1 . ALA 69 69 27012 1 . ASP 70 70 27012 1 . LEU 71 71 27012 1 . LEU 72 72 27012 1 . GLY 73 73 27012 1 . GLN 74 74 27012 1 . PRO 75 75 27012 1 . SER 76 76 27012 1 . PHE 77 77 27012 1 . SER 78 78 27012 1 . LYS 79 79 27012 1 . GLY 80 80 27012 1 . GLU 81 81 27012 1 . GLU 82 82 27012 1 . LYS 83 83 27012 1 . GLU 84 84 27012 1 . ASP 85 85 27012 1 . GLU 86 86 27012 1 . PHE 87 87 27012 1 . PHE 88 88 27012 1 . GLY 89 89 27012 1 . ARG 90 90 27012 1 . GLN 91 91 27012 1 . THR 92 92 27012 1 . VAL 93 93 27012 1 . TYR 94 94 27012 1 . HIS 95 95 27012 1 . HIS 96 96 27012 1 . GLU 97 97 27012 1 . ALA 98 98 27012 1 . GLN 99 99 27012 1 . VAL 100 100 27012 1 . ALA 101 101 27012 1 . PHE 102 102 27012 1 . PRO 103 103 27012 1 . TYR 104 104 27012 1 . ALA 105 105 27012 1 . LYS 106 106 27012 1 . ALA 107 107 27012 1 . VAL 108 108 27012 1 . GLY 109 109 27012 1 . GLU 110 110 27012 1 . PRO 111 111 27012 1 . TYR 112 112 27012 1 . LYS 113 113 27012 1 . LEU 114 114 27012 1 . VAL 115 115 27012 1 . LEU 116 116 27012 1 . THR 117 117 27012 1 . TYR 118 118 27012 1 . GLN 119 119 27012 1 . GLY 120 120 27012 1 . CYS 121 121 27012 1 . ALA 122 122 27012 1 . GLU 123 123 27012 1 . VAL 124 124 27012 1 . GLY 125 125 27012 1 . VAL 126 126 27012 1 . CYS 127 127 27012 1 . TYR 128 128 27012 1 . PRO 129 129 27012 1 . PRO 130 130 27012 1 . VAL 131 131 27012 1 . ASP 132 132 27012 1 . THR 133 133 27012 1 . GLU 134 134 27012 1 . PHE 135 135 27012 1 . ASP 136 136 27012 1 . ILE 137 137 27012 1 . SER 138 138 27012 1 . GLY 139 139 27012 1 . ASN 140 140 27012 1 . GLY 141 141 27012 1 . THR 142 142 27012 1 . TYR 143 143 27012 1 . HIS 144 144 27012 1 . PRO 145 145 27012 1 . GLN 146 146 27012 1 . THR 147 147 27012 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 27012 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Oxidised_n-NmDsbD . 487 organism . 'Neisseria meningitidis' 'Neisseria meningitidis' . . Bacteria . Neisseria meningitidis . . . . . . . . . . . . . 27012 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 27012 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Oxidised_n-NmDsbD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pMCSG7 . . . 27012 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27012 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM protein; 10 mM Sodium Phosphate; 50 mM NaCl; pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Oxidised n-NmDsbD' '[U-98% 13C; U-98% 15N]' . . 1 $Oxidised_n-NmDsbD . . 1 . . mM . . . . 27012 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27012 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27012 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27012 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27012 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 27012 _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 6.5 . pH 27012 1 pressure 1 . atm 27012 1 temperature 298 . K 27012 1 stop_ save_ ############################ # Computer software used # ############################ save_UNIO-MATCH _Software.Sf_category software _Software.Sf_framecode UNIO-MATCH _Software.Entry_ID 27012 _Software.ID 2 _Software.Type . _Software.Name UNIO-MATCH _Software.Version 2.0.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Volk,J., Herrmann,T.,Wuthrich,K.' . . 27012 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27012 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27012 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller, K. and Wuthrich, K.' . . 27012 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 27012 3 'data analysis' 27012 3 'peak picking' 27012 3 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 27012 _Software.ID 1 _Software.Type . _Software.Name Topspin _Software.Version 3.2 _Software.DOI . _Software.Details Topspin3.2(pl6) loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 27012 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Acquisition 27012 1 processing 27012 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 27012 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27012 _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 . . . 27012 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 27012 _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 [15N,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27012 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27012 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27012 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27012 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 27012 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27012 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27012 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27012 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 27012 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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 [15N,1H]-HSQC' . . . 27012 1 2 '3D HNCA' . . . 27012 1 3 '3D CBCA(CO)NH' . . . 27012 1 4 '3D HNCACB' . . . 27012 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.Ambiguity_set_ID _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 9 9 SER CA C 13 58.611 0.3 . 1 . . . . . 9 SER CA . 27012 1 2 . 1 1 9 9 SER CB C 13 63.818 0.3 . 1 . . . . . 9 SER CB . 27012 1 3 . 1 1 10 10 GLY H H 1 8.437 0.02 . 1 . . . . . 10 GLY H . 27012 1 4 . 1 1 10 10 GLY CA C 13 45.224 0.3 . 1 . . . . . 10 GLY CA . 27012 1 5 . 1 1 10 10 GLY N N 15 111.139 0.25 . 1 . . . . . 10 GLY N . 27012 1 6 . 1 1 11 11 VAL H H 1 7.896 0.02 . 1 . . . . . 11 VAL H . 27012 1 7 . 1 1 11 11 VAL CA C 13 61.957 0.3 . 1 . . . . . 11 VAL CA . 27012 1 8 . 1 1 11 11 VAL CB C 13 32.712 0.3 . 1 . . . . . 11 VAL CB . 27012 1 9 . 1 1 11 11 VAL N N 15 119.102 0.25 . 1 . . . . . 11 VAL N . 27012 1 10 . 1 1 12 12 ASP H H 1 8.398 0.02 . 1 . . . . . 12 ASP H . 27012 1 11 . 1 1 12 12 ASP CA C 13 53.944 0.3 . 1 . . . . . 12 ASP CA . 27012 1 12 . 1 1 12 12 ASP CB C 13 41.016 0.3 . 1 . . . . . 12 ASP CB . 27012 1 13 . 1 1 12 12 ASP N N 15 124.199 0.25 . 1 . . . . . 12 ASP N . 27012 1 14 . 1 1 13 13 LEU H H 1 8.353 0.02 . 1 . . . . . 13 LEU H . 27012 1 15 . 1 1 13 13 LEU CA C 13 55.351 0.3 . 1 . . . . . 13 LEU CA . 27012 1 16 . 1 1 13 13 LEU CB C 13 42.071 0.3 . 1 . . . . . 13 LEU CB . 27012 1 17 . 1 1 13 13 LEU N N 15 124.071 0.25 . 1 . . . . . 13 LEU N . 27012 1 18 . 1 1 14 14 GLY H H 1 8.554 0.02 . 1 . . . . . 14 GLY H . 27012 1 19 . 1 1 14 14 GLY CA C 13 45.488 0.3 . 1 . . . . . 14 GLY CA . 27012 1 20 . 1 1 14 14 GLY N N 15 109.584 0.25 . 1 . . . . . 14 GLY N . 27012 1 21 . 1 1 15 15 THR H H 1 7.984 0.02 . 1 . . . . . 15 THR H . 27012 1 22 . 1 1 15 15 THR CA C 13 62.130 0.3 . 1 . . . . . 15 THR CA . 27012 1 23 . 1 1 15 15 THR CB C 13 69.404 0.3 . 1 . . . . . 15 THR CB . 27012 1 24 . 1 1 15 15 THR N N 15 113.204 0.25 . 1 . . . . . 15 THR N . 27012 1 25 . 1 1 16 16 GLU H H 1 8.552 0.02 . 1 . . . . . 16 GLU H . 27012 1 26 . 1 1 16 16 GLU CA C 13 57.166 0.3 . 1 . . . . . 16 GLU CA . 27012 1 27 . 1 1 16 16 GLU CB C 13 29.769 0.3 . 1 . . . . . 16 GLU CB . 27012 1 28 . 1 1 16 16 GLU N N 15 123.038 0.25 . 1 . . . . . 16 GLU N . 27012 1 29 . 1 1 17 17 ASN H H 1 8.379 0.02 . 1 . . . . . 17 ASN H . 27012 1 30 . 1 1 17 17 ASN CA C 13 53.357 0.3 . 1 . . . . . 17 ASN CA . 27012 1 31 . 1 1 17 17 ASN CB C 13 38.607 0.3 . 1 . . . . . 17 ASN CB . 27012 1 32 . 1 1 17 17 ASN N N 15 119.308 0.25 . 1 . . . . . 17 ASN N . 27012 1 33 . 1 1 18 18 LEU H H 1 8.044 0.02 . 1 . . . . . 18 LEU H . 27012 1 34 . 1 1 18 18 LEU CA C 13 55.469 0.3 . 1 . . . . . 18 LEU CA . 27012 1 35 . 1 1 18 18 LEU CB C 13 42.164 0.3 . 1 . . . . . 18 LEU CB . 27012 1 36 . 1 1 18 18 LEU N N 15 122.408 0.25 . 1 . . . . . 18 LEU N . 27012 1 37 . 1 1 19 19 TYR H H 1 8.025 0.02 . 1 . . . . . 19 TYR H . 27012 1 38 . 1 1 19 19 TYR CA C 13 57.978 0.3 . 1 . . . . . 19 TYR CA . 27012 1 39 . 1 1 19 19 TYR CB C 13 38.511 0.3 . 1 . . . . . 19 TYR CB . 27012 1 40 . 1 1 19 19 TYR N N 15 119.904 0.25 . 1 . . . . . 19 TYR N . 27012 1 41 . 1 1 20 20 PHE H H 1 7.938 0.02 . 1 . . . . . 20 PHE H . 27012 1 42 . 1 1 20 20 PHE CA C 13 57.695 0.3 . 1 . . . . . 20 PHE CA . 27012 1 43 . 1 1 20 20 PHE CB C 13 39.386 0.3 . 1 . . . . . 20 PHE CB . 27012 1 44 . 1 1 20 20 PHE N N 15 121.262 0.25 . 1 . . . . . 20 PHE N . 27012 1 45 . 1 1 21 21 GLN H H 1 8.175 0.02 . 1 . . . . . 21 GLN H . 27012 1 46 . 1 1 21 21 GLN CA C 13 55.748 0.3 . 1 . . . . . 21 GLN CA . 27012 1 47 . 1 1 21 21 GLN CB C 13 29.372 0.3 . 1 . . . . . 21 GLN CB . 27012 1 48 . 1 1 21 21 GLN N N 15 122.035 0.25 . 1 . . . . . 21 GLN N . 27012 1 49 . 1 1 22 22 SER H H 1 8.250 0.02 . 1 . . . . . 22 SER H . 27012 1 50 . 1 1 22 22 SER CA C 13 58.584 0.3 . 1 . . . . . 22 SER CA . 27012 1 51 . 1 1 22 22 SER CB C 13 63.689 0.3 . 1 . . . . . 22 SER CB . 27012 1 52 . 1 1 22 22 SER N N 15 117.103 0.25 . 1 . . . . . 22 SER N . 27012 1 53 . 1 1 23 23 ASN H H 1 8.430 0.02 . 1 . . . . . 23 ASN H . 27012 1 54 . 1 1 23 23 ASN CA C 13 53.158 0.3 . 1 . . . . . 23 ASN CA . 27012 1 55 . 1 1 23 23 ASN CB C 13 38.798 0.3 . 1 . . . . . 23 ASN CB . 27012 1 56 . 1 1 23 23 ASN N N 15 120.842 0.25 . 1 . . . . . 23 ASN N . 27012 1 57 . 1 1 24 24 ALA H H 1 8.271 0.02 . 1 . . . . . 24 ALA H . 27012 1 58 . 1 1 24 24 ALA CA C 13 52.884 0.3 . 1 . . . . . 24 ALA CA . 27012 1 59 . 1 1 24 24 ALA CB C 13 18.910 0.3 . 1 . . . . . 24 ALA CB . 27012 1 60 . 1 1 24 24 ALA N N 15 124.284 0.25 . 1 . . . . . 24 ALA N . 27012 1 61 . 1 1 25 25 ASN H H 1 8.317 0.02 . 1 . . . . . 25 ASN H . 27012 1 62 . 1 1 25 25 ASN CA C 13 53.488 0.3 . 1 . . . . . 25 ASN CA . 27012 1 63 . 1 1 25 25 ASN CB C 13 38.925 0.3 . 1 . . . . . 25 ASN CB . 27012 1 64 . 1 1 25 25 ASN N N 15 116.943 0.25 . 1 . . . . . 25 ASN N . 27012 1 65 . 1 1 26 26 ASP H H 1 8.225 0.02 . 1 . . . . . 26 ASP H . 27012 1 66 . 1 1 26 26 ASP CA C 13 54.270 0.3 . 1 . . . . . 26 ASP CA . 27012 1 67 . 1 1 26 26 ASP CB C 13 40.801 0.3 . 1 . . . . . 26 ASP CB . 27012 1 68 . 1 1 26 26 ASP N N 15 120.094 0.25 . 1 . . . . . 26 ASP N . 27012 1 69 . 1 1 27 27 LEU H H 1 7.967 0.02 . 1 . . . . . 27 LEU H . 27012 1 70 . 1 1 27 27 LEU CA C 13 54.298 0.3 . 1 . . . . . 27 LEU CA . 27012 1 71 . 1 1 27 27 LEU CB C 13 42.630 0.3 . 1 . . . . . 27 LEU CB . 27012 1 72 . 1 1 27 27 LEU N N 15 121.697 0.25 . 1 . . . . . 27 LEU N . 27012 1 73 . 1 1 28 28 LEU H H 1 8.239 0.02 . 1 . . . . . 28 LEU H . 27012 1 74 . 1 1 28 28 LEU CA C 13 52.504 0.3 . 1 . . . . . 28 LEU CA . 27012 1 75 . 1 1 28 28 LEU CB C 13 42.290 0.3 . 1 . . . . . 28 LEU CB . 27012 1 76 . 1 1 28 28 LEU N N 15 122.824 0.25 . 1 . . . . . 28 LEU N . 27012 1 77 . 1 1 30 30 PRO CA C 13 64.860 0.3 . 1 . . . . . 30 PRO CA . 27012 1 78 . 1 1 30 30 PRO CB C 13 30.790 0.3 . 1 . . . . . 30 PRO CB . 27012 1 79 . 1 1 31 31 GLU H H 1 9.352 0.02 . 1 . . . . . 31 GLU H . 27012 1 80 . 1 1 31 31 GLU CA C 13 58.593 0.3 . 1 . . . . . 31 GLU CA . 27012 1 81 . 1 1 31 31 GLU CB C 13 28.003 0.3 . 1 . . . . . 31 GLU CB . 27012 1 82 . 1 1 31 31 GLU N N 15 115.508 0.25 . 1 . . . . . 31 GLU N . 27012 1 83 . 1 1 32 32 LYS H H 1 7.515 0.02 . 1 . . . . . 32 LYS H . 27012 1 84 . 1 1 32 32 LYS CA C 13 55.548 0.3 . 1 . . . . . 32 LYS CA . 27012 1 85 . 1 1 32 32 LYS CB C 13 33.772 0.3 . 1 . . . . . 32 LYS CB . 27012 1 86 . 1 1 32 32 LYS N N 15 115.793 0.25 . 1 . . . . . 32 LYS N . 27012 1 87 . 1 1 33 33 ALA H H 1 7.235 0.02 . 1 . . . . . 33 ALA H . 27012 1 88 . 1 1 33 33 ALA CA C 13 53.766 0.3 . 1 . . . . . 33 ALA CA . 27012 1 89 . 1 1 33 33 ALA CB C 13 17.110 0.3 . 1 . . . . . 33 ALA CB . 27012 1 90 . 1 1 33 33 ALA N N 15 123.005 0.25 . 1 . . . . . 33 ALA N . 27012 1 91 . 1 1 34 34 PHE H H 1 7.445 0.02 . 1 . . . . . 34 PHE H . 27012 1 92 . 1 1 34 34 PHE CA C 13 53.852 0.3 . 1 . . . . . 34 PHE CA . 27012 1 93 . 1 1 34 34 PHE CB C 13 39.781 0.3 . 1 . . . . . 34 PHE CB . 27012 1 94 . 1 1 34 34 PHE N N 15 114.947 0.25 . 1 . . . . . 34 PHE N . 27012 1 95 . 1 1 35 35 VAL H H 1 8.432 0.02 . 1 . . . . . 35 VAL H . 27012 1 96 . 1 1 35 35 VAL CA C 13 59.414 0.3 . 1 . . . . . 35 VAL CA . 27012 1 97 . 1 1 35 35 VAL CB C 13 34.877 0.3 . 1 . . . . . 35 VAL CB . 27012 1 98 . 1 1 35 35 VAL N N 15 121.636 0.25 . 1 . . . . . 35 VAL N . 27012 1 99 . 1 1 36 36 PRO CA C 13 61.158 0.3 . 1 . . . . . 36 PRO CA . 27012 1 100 . 1 1 36 36 PRO CB C 13 32.018 0.3 . 1 . . . . . 36 PRO CB . 27012 1 101 . 1 1 37 37 GLU H H 1 8.464 0.02 . 1 . . . . . 37 GLU H . 27012 1 102 . 1 1 37 37 GLU CA C 13 55.475 0.3 . 1 . . . . . 37 GLU CA . 27012 1 103 . 1 1 37 37 GLU CB C 13 33.321 0.3 . 1 . . . . . 37 GLU CB . 27012 1 104 . 1 1 37 37 GLU N N 15 119.904 0.25 . 1 . . . . . 37 GLU N . 27012 1 105 . 1 1 38 38 LEU H H 1 8.572 0.02 . 1 . . . . . 38 LEU H . 27012 1 106 . 1 1 38 38 LEU CA C 13 53.464 0.3 . 1 . . . . . 38 LEU CA . 27012 1 107 . 1 1 38 38 LEU CB C 13 45.284 0.3 . 1 . . . . . 38 LEU CB . 27012 1 108 . 1 1 38 38 LEU N N 15 124.804 0.25 . 1 . . . . . 38 LEU N . 27012 1 109 . 1 1 39 39 ALA H H 1 9.142 0.02 . 1 . . . . . 39 ALA H . 27012 1 110 . 1 1 39 39 ALA CA C 13 51.392 0.3 . 1 . . . . . 39 ALA CA . 27012 1 111 . 1 1 39 39 ALA CB C 13 20.352 0.3 . 1 . . . . . 39 ALA CB . 27012 1 112 . 1 1 39 39 ALA N N 15 126.980 0.25 . 1 . . . . . 39 ALA N . 27012 1 113 . 1 1 40 40 VAL H H 1 9.391 0.02 . 1 . . . . . 40 VAL H . 27012 1 114 . 1 1 40 40 VAL CA C 13 62.917 0.3 . 1 . . . . . 40 VAL CA . 27012 1 115 . 1 1 40 40 VAL CB C 13 33.251 0.3 . 1 . . . . . 40 VAL CB . 27012 1 116 . 1 1 40 40 VAL N N 15 126.936 0.25 . 1 . . . . . 40 VAL N . 27012 1 117 . 1 1 41 41 ALA H H 1 8.992 0.02 . 1 . . . . . 41 ALA H . 27012 1 118 . 1 1 41 41 ALA CA C 13 50.462 0.3 . 1 . . . . . 41 ALA CA . 27012 1 119 . 1 1 41 41 ALA CB C 13 22.436 0.3 . 1 . . . . . 41 ALA CB . 27012 1 120 . 1 1 41 41 ALA N N 15 134.500 0.25 . 1 . . . . . 41 ALA N . 27012 1 121 . 1 1 42 42 ASP H H 1 8.470 0.02 . 1 . . . . . 42 ASP H . 27012 1 122 . 1 1 42 42 ASP CA C 13 57.312 0.3 . 1 . . . . . 42 ASP CA . 27012 1 123 . 1 1 42 42 ASP CB C 13 40.490 0.3 . 1 . . . . . 42 ASP CB . 27012 1 124 . 1 1 42 42 ASP N N 15 116.401 0.25 . 1 . . . . . 42 ASP N . 27012 1 125 . 1 1 43 43 ASP H H 1 8.370 0.02 . 1 . . . . . 43 ASP H . 27012 1 126 . 1 1 43 43 ASP CA C 13 53.401 0.3 . 1 . . . . . 43 ASP CA . 27012 1 127 . 1 1 43 43 ASP CB C 13 40.208 0.3 . 1 . . . . . 43 ASP CB . 27012 1 128 . 1 1 43 43 ASP N N 15 111.939 0.25 . 1 . . . . . 43 ASP N . 27012 1 129 . 1 1 44 44 GLY H H 1 7.398 0.02 . 1 . . . . . 44 GLY H . 27012 1 130 . 1 1 44 44 GLY CA C 13 44.173 0.3 . 1 . . . . . 44 GLY CA . 27012 1 131 . 1 1 44 44 GLY N N 15 112.055 0.25 . 1 . . . . . 44 GLY N . 27012 1 132 . 1 1 45 45 VAL H H 1 8.315 0.02 . 1 . . . . . 45 VAL H . 27012 1 133 . 1 1 45 45 VAL CA C 13 60.681 0.3 . 1 . . . . . 45 VAL CA . 27012 1 134 . 1 1 45 45 VAL CB C 13 34.886 0.3 . 1 . . . . . 45 VAL CB . 27012 1 135 . 1 1 45 45 VAL N N 15 117.599 0.25 . 1 . . . . . 45 VAL N . 27012 1 136 . 1 1 46 46 ASN H H 1 9.110 0.02 . 1 . . . . . 46 ASN H . 27012 1 137 . 1 1 46 46 ASN CA C 13 52.422 0.3 . 1 . . . . . 46 ASN CA . 27012 1 138 . 1 1 46 46 ASN CB C 13 41.328 0.3 . 1 . . . . . 46 ASN CB . 27012 1 139 . 1 1 46 46 ASN N N 15 126.906 0.25 . 1 . . . . . 46 ASN N . 27012 1 140 . 1 1 47 47 VAL H H 1 9.609 0.02 . 1 . . . . . 47 VAL H . 27012 1 141 . 1 1 47 47 VAL CA C 13 60.665 0.3 . 1 . . . . . 47 VAL CA . 27012 1 142 . 1 1 47 47 VAL CB C 13 33.441 0.3 . 1 . . . . . 47 VAL CB . 27012 1 143 . 1 1 47 47 VAL N N 15 126.121 0.25 . 1 . . . . . 47 VAL N . 27012 1 144 . 1 1 48 48 ARG H H 1 8.646 0.02 . 1 . . . . . 48 ARG H . 27012 1 145 . 1 1 48 48 ARG CA C 13 54.050 0.3 . 1 . . . . . 48 ARG CA . 27012 1 146 . 1 1 48 48 ARG CB C 13 32.787 0.3 . 1 . . . . . 48 ARG CB . 27012 1 147 . 1 1 48 48 ARG N N 15 127.648 0.25 . 1 . . . . . 48 ARG N . 27012 1 148 . 1 1 49 49 PHE H H 1 9.190 0.02 . 1 . . . . . 49 PHE H . 27012 1 149 . 1 1 49 49 PHE CA C 13 57.229 0.3 . 1 . . . . . 49 PHE CA . 27012 1 150 . 1 1 49 49 PHE CB C 13 41.539 0.3 . 1 . . . . . 49 PHE CB . 27012 1 151 . 1 1 49 49 PHE N N 15 122.243 0.25 . 1 . . . . . 49 PHE N . 27012 1 152 . 1 1 50 50 ARG H H 1 8.655 0.02 . 1 . . . . . 50 ARG H . 27012 1 153 . 1 1 50 50 ARG CA C 13 55.734 0.3 . 1 . . . . . 50 ARG CA . 27012 1 154 . 1 1 50 50 ARG CB C 13 30.645 0.3 . 1 . . . . . 50 ARG CB . 27012 1 155 . 1 1 50 50 ARG N N 15 123.533 0.25 . 1 . . . . . 50 ARG N . 27012 1 156 . 1 1 51 51 ILE H H 1 8.018 0.02 . 1 . . . . . 51 ILE H . 27012 1 157 . 1 1 51 51 ILE CA C 13 59.884 0.3 . 1 . . . . . 51 ILE CA . 27012 1 158 . 1 1 51 51 ILE CB C 13 39.576 0.3 . 1 . . . . . 51 ILE CB . 27012 1 159 . 1 1 51 51 ILE N N 15 127.972 0.25 . 1 . . . . . 51 ILE N . 27012 1 160 . 1 1 52 52 ALA H H 1 8.700 0.02 . 1 . . . . . 52 ALA H . 27012 1 161 . 1 1 52 52 ALA CA C 13 52.545 0.3 . 1 . . . . . 52 ALA CA . 27012 1 162 . 1 1 52 52 ALA CB C 13 19.518 0.3 . 1 . . . . . 52 ALA CB . 27012 1 163 . 1 1 52 52 ALA N N 15 131.841 0.25 . 1 . . . . . 52 ALA N . 27012 1 164 . 1 1 53 53 ASP H H 1 8.872 0.02 . 1 . . . . . 53 ASP H . 27012 1 165 . 1 1 53 53 ASP CA C 13 56.185 0.3 . 1 . . . . . 53 ASP CA . 27012 1 166 . 1 1 53 53 ASP CB C 13 40.353 0.3 . 1 . . . . . 53 ASP CB . 27012 1 167 . 1 1 53 53 ASP N N 15 123.459 0.25 . 1 . . . . . 53 ASP N . 27012 1 168 . 1 1 54 54 GLY H H 1 9.280 0.02 . 1 . . . . . 54 GLY H . 27012 1 169 . 1 1 54 54 GLY CA C 13 44.907 0.3 . 1 . . . . . 54 GLY CA . 27012 1 170 . 1 1 54 54 GLY N N 15 111.042 0.25 . 1 . . . . . 54 GLY N . 27012 1 171 . 1 1 55 55 TYR H H 1 8.034 0.02 . 1 . . . . . 55 TYR H . 27012 1 172 . 1 1 55 55 TYR CA C 13 57.029 0.3 . 1 . . . . . 55 TYR CA . 27012 1 173 . 1 1 55 55 TYR CB C 13 41.001 0.3 . 1 . . . . . 55 TYR CB . 27012 1 174 . 1 1 55 55 TYR N N 15 120.537 0.25 . 1 . . . . . 55 TYR N . 27012 1 175 . 1 1 56 56 TYR H H 1 8.979 0.02 . 1 . . . . . 56 TYR H . 27012 1 176 . 1 1 56 56 TYR CA C 13 55.780 0.3 . 1 . . . . . 56 TYR CA . 27012 1 177 . 1 1 56 56 TYR CB C 13 40.080 0.3 . 1 . . . . . 56 TYR CB . 27012 1 178 . 1 1 56 56 TYR N N 15 114.180 0.25 . 1 . . . . . 56 TYR N . 27012 1 179 . 1 1 57 57 MET H H 1 8.482 0.02 . 1 . . . . . 57 MET H . 27012 1 180 . 1 1 57 57 MET CA C 13 53.950 0.3 . 1 . . . . . 57 MET CA . 27012 1 181 . 1 1 57 57 MET CB C 13 38.380 0.3 . 1 . . . . . 57 MET CB . 27012 1 182 . 1 1 57 57 MET N N 15 115.981 0.25 . 1 . . . . . 57 MET N . 27012 1 183 . 1 1 58 58 TYR H H 1 7.498 0.02 . 1 . . . . . 58 TYR H . 27012 1 184 . 1 1 58 58 TYR CA C 13 57.874 0.3 . 1 . . . . . 58 TYR CA . 27012 1 185 . 1 1 58 58 TYR CB C 13 38.767 0.3 . 1 . . . . . 58 TYR CB . 27012 1 186 . 1 1 58 58 TYR N N 15 119.287 0.25 . 1 . . . . . 58 TYR N . 27012 1 187 . 1 1 59 59 GLN H H 1 8.382 0.02 . 1 . . . . . 59 GLN H . 27012 1 188 . 1 1 59 59 GLN CA C 13 59.742 0.3 . 1 . . . . . 59 GLN CA . 27012 1 189 . 1 1 59 59 GLN CB C 13 30.652 0.3 . 1 . . . . . 59 GLN CB . 27012 1 190 . 1 1 59 59 GLN N N 15 127.852 0.25 . 1 . . . . . 59 GLN N . 27012 1 191 . 1 1 60 60 ALA H H 1 9.199 0.02 . 1 . . . . . 60 ALA H . 27012 1 192 . 1 1 60 60 ALA CA C 13 53.429 0.3 . 1 . . . . . 60 ALA CA . 27012 1 193 . 1 1 60 60 ALA CB C 13 18.583 0.3 . 1 . . . . . 60 ALA CB . 27012 1 194 . 1 1 60 60 ALA N N 15 116.034 0.25 . 1 . . . . . 60 ALA N . 27012 1 195 . 1 1 61 61 LYS H H 1 6.707 0.02 . 1 . . . . . 61 LYS H . 27012 1 196 . 1 1 61 61 LYS CA C 13 53.229 0.3 . 1 . . . . . 61 LYS CA . 27012 1 197 . 1 1 61 61 LYS CB C 13 32.669 0.3 . 1 . . . . . 61 LYS CB . 27012 1 198 . 1 1 61 61 LYS N N 15 113.081 0.25 . 1 . . . . . 61 LYS N . 27012 1 199 . 1 1 62 62 ILE H H 1 7.131 0.02 . 1 . . . . . 62 ILE H . 27012 1 200 . 1 1 62 62 ILE CA C 13 62.080 0.3 . 1 . . . . . 62 ILE CA . 27012 1 201 . 1 1 62 62 ILE CB C 13 38.383 0.3 . 1 . . . . . 62 ILE CB . 27012 1 202 . 1 1 62 62 ILE N N 15 120.051 0.25 . 1 . . . . . 62 ILE N . 27012 1 203 . 1 1 63 63 VAL H H 1 9.048 0.02 . 1 . . . . . 63 VAL H . 27012 1 204 . 1 1 63 63 VAL CA C 13 60.927 0.3 . 1 . . . . . 63 VAL CA . 27012 1 205 . 1 1 63 63 VAL CB C 13 36.828 0.3 . 1 . . . . . 63 VAL CB . 27012 1 206 . 1 1 63 63 VAL N N 15 127.836 0.25 . 1 . . . . . 63 VAL N . 27012 1 207 . 1 1 64 64 GLY H H 1 9.017 0.02 . 1 . . . . . 64 GLY H . 27012 1 208 . 1 1 64 64 GLY CA C 13 43.887 0.3 . 1 . . . . . 64 GLY CA . 27012 1 209 . 1 1 64 64 GLY N N 15 111.378 0.25 . 1 . . . . . 64 GLY N . 27012 1 210 . 1 1 65 65 LYS H H 1 8.716 0.02 . 1 . . . . . 65 LYS H . 27012 1 211 . 1 1 65 65 LYS CA C 13 54.897 0.3 . 1 . . . . . 65 LYS CA . 27012 1 212 . 1 1 65 65 LYS CB C 13 36.145 0.3 . 1 . . . . . 65 LYS CB . 27012 1 213 . 1 1 65 65 LYS N N 15 123.429 0.25 . 1 . . . . . 65 LYS N . 27012 1 214 . 1 1 66 66 THR H H 1 8.769 0.02 . 1 . . . . . 66 THR H . 27012 1 215 . 1 1 66 66 THR CA C 13 59.294 0.3 . 1 . . . . . 66 THR CA . 27012 1 216 . 1 1 66 66 THR CB C 13 73.607 0.3 . 1 . . . . . 66 THR CB . 27012 1 217 . 1 1 66 66 THR N N 15 111.535 0.25 . 1 . . . . . 66 THR N . 27012 1 218 . 1 1 67 67 ASP H H 1 8.533 0.02 . 1 . . . . . 67 ASP H . 27012 1 219 . 1 1 67 67 ASP CA C 13 51.682 0.3 . 1 . . . . . 67 ASP CA . 27012 1 220 . 1 1 67 67 ASP CB C 13 43.596 0.3 . 1 . . . . . 67 ASP CB . 27012 1 221 . 1 1 67 67 ASP N N 15 119.919 0.25 . 1 . . . . . 67 ASP N . 27012 1 222 . 1 1 68 68 PRO CA C 13 63.298 0.3 . 1 . . . . . 68 PRO CA . 27012 1 223 . 1 1 68 68 PRO CB C 13 34.598 0.3 . 1 . . . . . 68 PRO CB . 27012 1 224 . 1 1 69 69 ALA H H 1 8.506 0.02 . 1 . . . . . 69 ALA H . 27012 1 225 . 1 1 69 69 ALA CA C 13 52.629 0.3 . 1 . . . . . 69 ALA CA . 27012 1 226 . 1 1 69 69 ALA CB C 13 19.933 0.3 . 1 . . . . . 69 ALA CB . 27012 1 227 . 1 1 69 69 ALA N N 15 122.903 0.25 . 1 . . . . . 69 ALA N . 27012 1 228 . 1 1 70 70 ASP H H 1 8.536 0.02 . 1 . . . . . 70 ASP H . 27012 1 229 . 1 1 70 70 ASP CA C 13 55.716 0.3 . 1 . . . . . 70 ASP CA . 27012 1 230 . 1 1 70 70 ASP CB C 13 37.897 0.3 . 1 . . . . . 70 ASP CB . 27012 1 231 . 1 1 70 70 ASP N N 15 113.283 0.25 . 1 . . . . . 70 ASP N . 27012 1 232 . 1 1 71 71 LEU H H 1 7.071 0.02 . 1 . . . . . 71 LEU H . 27012 1 233 . 1 1 71 71 LEU CA C 13 56.662 0.3 . 1 . . . . . 71 LEU CA . 27012 1 234 . 1 1 71 71 LEU CB C 13 42.395 0.3 . 1 . . . . . 71 LEU CB . 27012 1 235 . 1 1 71 71 LEU N N 15 115.390 0.25 . 1 . . . . . 71 LEU N . 27012 1 236 . 1 1 72 72 LEU H H 1 8.729 0.02 . 1 . . . . . 72 LEU H . 27012 1 237 . 1 1 72 72 LEU CA C 13 53.232 0.3 . 1 . . . . . 72 LEU CA . 27012 1 238 . 1 1 72 72 LEU CB C 13 42.608 0.3 . 1 . . . . . 72 LEU CB . 27012 1 239 . 1 1 72 72 LEU N N 15 117.286 0.25 . 1 . . . . . 72 LEU N . 27012 1 240 . 1 1 73 73 GLY H H 1 8.926 0.02 . 1 . . . . . 73 GLY H . 27012 1 241 . 1 1 73 73 GLY CA C 13 42.772 0.3 . 1 . . . . . 73 GLY CA . 27012 1 242 . 1 1 73 73 GLY N N 15 108.757 0.25 . 1 . . . . . 73 GLY N . 27012 1 243 . 1 1 74 74 GLN H H 1 8.332 0.02 . 1 . . . . . 74 GLN H . 27012 1 244 . 1 1 74 74 GLN CA C 13 53.698 0.3 . 1 . . . . . 74 GLN CA . 27012 1 245 . 1 1 74 74 GLN CB C 13 28.378 0.3 . 1 . . . . . 74 GLN CB . 27012 1 246 . 1 1 74 74 GLN N N 15 120.262 0.25 . 1 . . . . . 74 GLN N . 27012 1 247 . 1 1 75 75 PRO CA C 13 61.623 0.3 . 1 . . . . . 75 PRO CA . 27012 1 248 . 1 1 75 75 PRO CB C 13 31.848 0.3 . 1 . . . . . 75 PRO CB . 27012 1 249 . 1 1 76 76 SER H H 1 8.445 0.02 . 1 . . . . . 76 SER H . 27012 1 250 . 1 1 76 76 SER CA C 13 56.738 0.3 . 1 . . . . . 76 SER CA . 27012 1 251 . 1 1 76 76 SER CB C 13 64.600 0.3 . 1 . . . . . 76 SER CB . 27012 1 252 . 1 1 76 76 SER N N 15 114.206 0.25 . 1 . . . . . 76 SER N . 27012 1 253 . 1 1 77 77 PHE H H 1 8.903 0.02 . 1 . . . . . 77 PHE H . 27012 1 254 . 1 1 77 77 PHE CA C 13 58.129 0.3 . 1 . . . . . 77 PHE CA . 27012 1 255 . 1 1 77 77 PHE CB C 13 42.199 0.3 . 1 . . . . . 77 PHE CB . 27012 1 256 . 1 1 77 77 PHE N N 15 123.924 0.25 . 1 . . . . . 77 PHE N . 27012 1 257 . 1 1 78 78 SER H H 1 8.689 0.02 . 1 . . . . . 78 SER H . 27012 1 258 . 1 1 78 78 SER CA C 13 58.217 0.3 . 1 . . . . . 78 SER CA . 27012 1 259 . 1 1 78 78 SER CB C 13 63.492 0.3 . 1 . . . . . 78 SER CB . 27012 1 260 . 1 1 78 78 SER N N 15 117.698 0.25 . 1 . . . . . 78 SER N . 27012 1 261 . 1 1 79 79 LYS H H 1 9.029 0.02 . 1 . . . . . 79 LYS H . 27012 1 262 . 1 1 79 79 LYS CA C 13 58.280 0.3 . 1 . . . . . 79 LYS CA . 27012 1 263 . 1 1 79 79 LYS CB C 13 32.562 0.3 . 1 . . . . . 79 LYS CB . 27012 1 264 . 1 1 79 79 LYS N N 15 124.535 0.25 . 1 . . . . . 79 LYS N . 27012 1 265 . 1 1 80 80 GLY H H 1 8.893 0.02 . 1 . . . . . 80 GLY H . 27012 1 266 . 1 1 80 80 GLY CA C 13 44.285 0.3 . 1 . . . . . 80 GLY CA . 27012 1 267 . 1 1 80 80 GLY N N 15 116.004 0.25 . 1 . . . . . 80 GLY N . 27012 1 268 . 1 1 81 81 GLU H H 1 8.840 0.02 . 1 . . . . . 81 GLU H . 27012 1 269 . 1 1 81 81 GLU CA C 13 54.413 0.3 . 1 . . . . . 81 GLU CA . 27012 1 270 . 1 1 81 81 GLU CB C 13 32.913 0.3 . 1 . . . . . 81 GLU CB . 27012 1 271 . 1 1 81 81 GLU N N 15 120.850 0.25 . 1 . . . . . 81 GLU N . 27012 1 272 . 1 1 82 82 GLU H H 1 8.697 0.02 . 1 . . . . . 82 GLU H . 27012 1 273 . 1 1 82 82 GLU CA C 13 56.276 0.3 . 1 . . . . . 82 GLU CA . 27012 1 274 . 1 1 82 82 GLU CB C 13 30.790 0.3 . 1 . . . . . 82 GLU CB . 27012 1 275 . 1 1 82 82 GLU N N 15 122.494 0.25 . 1 . . . . . 82 GLU N . 27012 1 276 . 1 1 83 83 LYS H H 1 8.941 0.02 . 1 . . . . . 83 LYS H . 27012 1 277 . 1 1 83 83 LYS CA C 13 55.021 0.3 . 1 . . . . . 83 LYS CA . 27012 1 278 . 1 1 83 83 LYS CB C 13 36.797 0.3 . 1 . . . . . 83 LYS CB . 27012 1 279 . 1 1 83 83 LYS N N 15 126.943 0.25 . 1 . . . . . 83 LYS N . 27012 1 280 . 1 1 84 84 GLU H H 1 8.648 0.02 . 1 . . . . . 84 GLU H . 27012 1 281 . 1 1 84 84 GLU CA C 13 55.420 0.3 . 1 . . . . . 84 GLU CA . 27012 1 282 . 1 1 84 84 GLU CB C 13 30.657 0.3 . 1 . . . . . 84 GLU CB . 27012 1 283 . 1 1 84 84 GLU N N 15 126.045 0.25 . 1 . . . . . 84 GLU N . 27012 1 284 . 1 1 85 85 ASP H H 1 8.160 0.02 . 1 . . . . . 85 ASP H . 27012 1 285 . 1 1 85 85 ASP CA C 13 53.214 0.3 . 1 . . . . . 85 ASP CA . 27012 1 286 . 1 1 85 85 ASP CB C 13 44.424 0.3 . 1 . . . . . 85 ASP CB . 27012 1 287 . 1 1 85 85 ASP N N 15 124.920 0.25 . 1 . . . . . 85 ASP N . 27012 1 288 . 1 1 86 86 GLU H H 1 8.944 0.02 . 1 . . . . . 86 GLU H . 27012 1 289 . 1 1 86 86 GLU CA C 13 57.818 0.3 . 1 . . . . . 86 GLU CA . 27012 1 290 . 1 1 86 86 GLU CB C 13 29.354 0.3 . 1 . . . . . 86 GLU CB . 27012 1 291 . 1 1 86 86 GLU N N 15 121.720 0.25 . 1 . . . . . 86 GLU N . 27012 1 292 . 1 1 87 87 PHE H H 1 8.417 0.02 . 1 . . . . . 87 PHE H . 27012 1 293 . 1 1 87 87 PHE CA C 13 59.161 0.3 . 1 . . . . . 87 PHE CA . 27012 1 294 . 1 1 87 87 PHE CB C 13 39.769 0.3 . 1 . . . . . 87 PHE CB . 27012 1 295 . 1 1 87 87 PHE N N 15 120.079 0.25 . 1 . . . . . 87 PHE N . 27012 1 296 . 1 1 88 88 PHE H H 1 9.069 0.02 . 1 . . . . . 88 PHE H . 27012 1 297 . 1 1 88 88 PHE CA C 13 57.337 0.3 . 1 . . . . . 88 PHE CA . 27012 1 298 . 1 1 88 88 PHE CB C 13 39.563 0.3 . 1 . . . . . 88 PHE CB . 27012 1 299 . 1 1 88 88 PHE N N 15 117.202 0.25 . 1 . . . . . 88 PHE N . 27012 1 300 . 1 1 89 89 GLY H H 1 7.879 0.02 . 1 . . . . . 89 GLY H . 27012 1 301 . 1 1 89 89 GLY CA C 13 45.357 0.3 . 1 . . . . . 89 GLY CA . 27012 1 302 . 1 1 89 89 GLY N N 15 111.192 0.25 . 1 . . . . . 89 GLY N . 27012 1 303 . 1 1 90 90 ARG H H 1 8.468 0.02 . 1 . . . . . 90 ARG H . 27012 1 304 . 1 1 90 90 ARG CA C 13 56.476 0.3 . 1 . . . . . 90 ARG CA . 27012 1 305 . 1 1 90 90 ARG CB C 13 30.157 0.3 . 1 . . . . . 90 ARG CB . 27012 1 306 . 1 1 90 90 ARG N N 15 123.967 0.25 . 1 . . . . . 90 ARG N . 27012 1 307 . 1 1 91 91 GLN H H 1 8.835 0.02 . 1 . . . . . 91 GLN H . 27012 1 308 . 1 1 91 91 GLN CA C 13 53.694 0.3 . 1 . . . . . 91 GLN CA . 27012 1 309 . 1 1 91 91 GLN CB C 13 33.259 0.3 . 1 . . . . . 91 GLN CB . 27012 1 310 . 1 1 91 91 GLN N N 15 124.504 0.25 . 1 . . . . . 91 GLN N . 27012 1 311 . 1 1 92 92 THR H H 1 8.549 0.02 . 1 . . . . . 92 THR H . 27012 1 312 . 1 1 92 92 THR CA C 13 62.941 0.3 . 1 . . . . . 92 THR CA . 27012 1 313 . 1 1 92 92 THR CB C 13 68.182 0.3 . 1 . . . . . 92 THR CB . 27012 1 314 . 1 1 92 92 THR N N 15 118.309 0.25 . 1 . . . . . 92 THR N . 27012 1 315 . 1 1 93 93 VAL H H 1 9.657 0.02 . 1 . . . . . 93 VAL H . 27012 1 316 . 1 1 93 93 VAL CA C 13 58.125 0.3 . 1 . . . . . 93 VAL CA . 27012 1 317 . 1 1 93 93 VAL CB C 13 36.045 0.3 . 1 . . . . . 93 VAL CB . 27012 1 318 . 1 1 93 93 VAL N N 15 124.188 0.25 . 1 . . . . . 93 VAL N . 27012 1 319 . 1 1 94 94 TYR H H 1 8.577 0.02 . 1 . . . . . 94 TYR H . 27012 1 320 . 1 1 94 94 TYR CA C 13 56.370 0.3 . 1 . . . . . 94 TYR CA . 27012 1 321 . 1 1 94 94 TYR CB C 13 42.669 0.3 . 1 . . . . . 94 TYR CB . 27012 1 322 . 1 1 94 94 TYR N N 15 115.706 0.25 . 1 . . . . . 94 TYR N . 27012 1 323 . 1 1 95 95 HIS H H 1 9.167 0.02 . 1 . . . . . 95 HIS H . 27012 1 324 . 1 1 95 95 HIS CA C 13 55.855 0.3 . 1 . . . . . 95 HIS CA . 27012 1 325 . 1 1 95 95 HIS CB C 13 31.001 0.3 . 1 . . . . . 95 HIS CB . 27012 1 326 . 1 1 95 95 HIS N N 15 118.293 0.25 . 1 . . . . . 95 HIS N . 27012 1 327 . 1 1 96 96 HIS H H 1 9.450 0.02 . 1 . . . . . 96 HIS H . 27012 1 328 . 1 1 96 96 HIS CA C 13 61.229 0.3 . 1 . . . . . 96 HIS CA . 27012 1 329 . 1 1 96 96 HIS CB C 13 28.080 0.3 . 1 . . . . . 96 HIS CB . 27012 1 330 . 1 1 96 96 HIS N N 15 116.057 0.25 . 1 . . . . . 96 HIS N . 27012 1 331 . 1 1 97 97 GLU H H 1 9.912 0.02 . 1 . . . . . 97 GLU H . 27012 1 332 . 1 1 97 97 GLU CA C 13 55.371 0.3 . 1 . . . . . 97 GLU CA . 27012 1 333 . 1 1 97 97 GLU CB C 13 33.801 0.3 . 1 . . . . . 97 GLU CB . 27012 1 334 . 1 1 97 97 GLU N N 15 125.622 0.25 . 1 . . . . . 97 GLU N . 27012 1 335 . 1 1 98 98 ALA H H 1 7.898 0.02 . 1 . . . . . 98 ALA H . 27012 1 336 . 1 1 98 98 ALA CA C 13 51.798 0.3 . 1 . . . . . 98 ALA CA . 27012 1 337 . 1 1 98 98 ALA CB C 13 21.928 0.3 . 1 . . . . . 98 ALA CB . 27012 1 338 . 1 1 98 98 ALA N N 15 121.819 0.25 . 1 . . . . . 98 ALA N . 27012 1 339 . 1 1 99 99 GLN H H 1 8.079 0.02 . 1 . . . . . 99 GLN H . 27012 1 340 . 1 1 99 99 GLN CA C 13 54.880 0.3 . 1 . . . . . 99 GLN CA . 27012 1 341 . 1 1 99 99 GLN CB C 13 31.720 0.3 . 1 . . . . . 99 GLN CB . 27012 1 342 . 1 1 99 99 GLN N N 15 120.789 0.25 . 1 . . . . . 99 GLN N . 27012 1 343 . 1 1 100 100 VAL H H 1 9.029 0.02 . 1 . . . . . 100 VAL H . 27012 1 344 . 1 1 100 100 VAL CA C 13 60.191 0.3 . 1 . . . . . 100 VAL CA . 27012 1 345 . 1 1 100 100 VAL CB C 13 34.868 0.3 . 1 . . . . . 100 VAL CB . 27012 1 346 . 1 1 100 100 VAL N N 15 124.119 0.25 . 1 . . . . . 100 VAL N . 27012 1 347 . 1 1 101 101 ALA H H 1 8.476 0.02 . 1 . . . . . 101 ALA H . 27012 1 348 . 1 1 101 101 ALA CA C 13 50.276 0.3 . 1 . . . . . 101 ALA CA . 27012 1 349 . 1 1 101 101 ALA CB C 13 20.681 0.3 . 1 . . . . . 101 ALA CB . 27012 1 350 . 1 1 101 101 ALA N N 15 130.432 0.25 . 1 . . . . . 101 ALA N . 27012 1 351 . 1 1 102 102 PHE H H 1 9.190 0.02 . 1 . . . . . 102 PHE H . 27012 1 352 . 1 1 102 102 PHE CA C 13 53.980 0.3 . 1 . . . . . 102 PHE CA . 27012 1 353 . 1 1 102 102 PHE CB C 13 41.446 0.3 . 1 . . . . . 102 PHE CB . 27012 1 354 . 1 1 102 102 PHE N N 15 121.216 0.25 . 1 . . . . . 102 PHE N . 27012 1 355 . 1 1 103 103 PRO CA C 13 61.657 0.3 . 1 . . . . . 103 PRO CA . 27012 1 356 . 1 1 103 103 PRO CB C 13 31.610 0.3 . 1 . . . . . 103 PRO CB . 27012 1 357 . 1 1 104 104 TYR H H 1 8.143 0.02 . 1 . . . . . 104 TYR H . 27012 1 358 . 1 1 104 104 TYR CA C 13 57.315 0.3 . 1 . . . . . 104 TYR CA . 27012 1 359 . 1 1 104 104 TYR CB C 13 37.859 0.3 . 1 . . . . . 104 TYR CB . 27012 1 360 . 1 1 104 104 TYR N N 15 120.102 0.25 . 1 . . . . . 104 TYR N . 27012 1 361 . 1 1 105 105 ALA H H 1 9.266 0.02 . 1 . . . . . 105 ALA H . 27012 1 362 . 1 1 105 105 ALA CA C 13 52.450 0.3 . 1 . . . . . 105 ALA CA . 27012 1 363 . 1 1 105 105 ALA CB C 13 19.418 0.3 . 1 . . . . . 105 ALA CB . 27012 1 364 . 1 1 105 105 ALA N N 15 126.405 0.25 . 1 . . . . . 105 ALA N . 27012 1 365 . 1 1 106 106 LYS H H 1 7.636 0.02 . 1 . . . . . 106 LYS H . 27012 1 366 . 1 1 106 106 LYS CA C 13 53.937 0.3 . 1 . . . . . 106 LYS CA . 27012 1 367 . 1 1 106 106 LYS CB C 13 34.772 0.3 . 1 . . . . . 106 LYS CB . 27012 1 368 . 1 1 106 106 LYS N N 15 115.351 0.25 . 1 . . . . . 106 LYS N . 27012 1 369 . 1 1 107 107 ALA H H 1 8.078 0.02 . 1 . . . . . 107 ALA H . 27012 1 370 . 1 1 107 107 ALA CA C 13 52.521 0.3 . 1 . . . . . 107 ALA CA . 27012 1 371 . 1 1 107 107 ALA CB C 13 18.132 0.3 . 1 . . . . . 107 ALA CB . 27012 1 372 . 1 1 107 107 ALA N N 15 121.913 0.25 . 1 . . . . . 107 ALA N . 27012 1 373 . 1 1 108 108 VAL H H 1 8.063 0.02 . 1 . . . . . 108 VAL H . 27012 1 374 . 1 1 108 108 VAL CA C 13 62.196 0.3 . 1 . . . . . 108 VAL CA . 27012 1 375 . 1 1 108 108 VAL CB C 13 33.211 0.3 . 1 . . . . . 108 VAL CB . 27012 1 376 . 1 1 108 108 VAL N N 15 123.704 0.25 . 1 . . . . . 108 VAL N . 27012 1 377 . 1 1 109 109 GLY H H 1 8.631 0.02 . 1 . . . . . 109 GLY H . 27012 1 378 . 1 1 109 109 GLY CA C 13 44.977 0.3 . 1 . . . . . 109 GLY CA . 27012 1 379 . 1 1 109 109 GLY N N 15 115.065 0.25 . 1 . . . . . 109 GLY N . 27012 1 380 . 1 1 110 110 GLU H H 1 7.319 0.02 . 1 . . . . . 110 GLU H . 27012 1 381 . 1 1 110 110 GLU CA C 13 53.673 0.3 . 1 . . . . . 110 GLU CA . 27012 1 382 . 1 1 110 110 GLU CB C 13 30.872 0.3 . 1 . . . . . 110 GLU CB . 27012 1 383 . 1 1 110 110 GLU N N 15 119.590 0.25 . 1 . . . . . 110 GLU N . 27012 1 384 . 1 1 111 111 PRO CA C 13 63.118 0.3 . 1 . . . . . 111 PRO CA . 27012 1 385 . 1 1 111 111 PRO CB C 13 32.656 0.3 . 1 . . . . . 111 PRO CB . 27012 1 386 . 1 1 112 112 TYR H H 1 8.283 0.02 . 1 . . . . . 112 TYR H . 27012 1 387 . 1 1 112 112 TYR CA C 13 55.834 0.3 . 1 . . . . . 112 TYR CA . 27012 1 388 . 1 1 112 112 TYR CB C 13 41.308 0.3 . 1 . . . . . 112 TYR CB . 27012 1 389 . 1 1 112 112 TYR N N 15 116.485 0.25 . 1 . . . . . 112 TYR N . 27012 1 390 . 1 1 113 113 LYS H H 1 8.439 0.02 . 1 . . . . . 113 LYS H . 27012 1 391 . 1 1 113 113 LYS CA C 13 54.170 0.3 . 1 . . . . . 113 LYS CA . 27012 1 392 . 1 1 113 113 LYS CB C 13 35.173 0.3 . 1 . . . . . 113 LYS CB . 27012 1 393 . 1 1 113 113 LYS N N 15 119.896 0.25 . 1 . . . . . 113 LYS N . 27012 1 394 . 1 1 114 114 LEU H H 1 9.058 0.02 . 1 . . . . . 114 LEU H . 27012 1 395 . 1 1 114 114 LEU CA C 13 53.699 0.3 . 1 . . . . . 114 LEU CA . 27012 1 396 . 1 1 114 114 LEU CB C 13 46.239 0.3 . 1 . . . . . 114 LEU CB . 27012 1 397 . 1 1 114 114 LEU N N 15 127.645 0.25 . 1 . . . . . 114 LEU N . 27012 1 398 . 1 1 115 115 VAL H H 1 9.414 0.02 . 1 . . . . . 115 VAL H . 27012 1 399 . 1 1 115 115 VAL CA C 13 61.652 0.3 . 1 . . . . . 115 VAL CA . 27012 1 400 . 1 1 115 115 VAL CB C 13 32.980 0.3 . 1 . . . . . 115 VAL CB . 27012 1 401 . 1 1 115 115 VAL N N 15 127.183 0.25 . 1 . . . . . 115 VAL N . 27012 1 402 . 1 1 116 116 LEU H H 1 9.337 0.02 . 1 . . . . . 116 LEU H . 27012 1 403 . 1 1 116 116 LEU CA C 13 52.768 0.3 . 1 . . . . . 116 LEU CA . 27012 1 404 . 1 1 116 116 LEU CB C 13 46.118 0.3 . 1 . . . . . 116 LEU CB . 27012 1 405 . 1 1 116 116 LEU N N 15 132.183 0.25 . 1 . . . . . 116 LEU N . 27012 1 406 . 1 1 117 117 THR H H 1 9.521 0.02 . 1 . . . . . 117 THR H . 27012 1 407 . 1 1 117 117 THR CA C 13 61.375 0.3 . 1 . . . . . 117 THR CA . 27012 1 408 . 1 1 117 117 THR CB C 13 71.047 0.3 . 1 . . . . . 117 THR CB . 27012 1 409 . 1 1 117 117 THR N N 15 124.498 0.25 . 1 . . . . . 117 THR N . 27012 1 410 . 1 1 118 118 TYR H H 1 8.199 0.02 . 1 . . . . . 118 TYR H . 27012 1 411 . 1 1 118 118 TYR CA C 13 55.634 0.3 . 1 . . . . . 118 TYR CA . 27012 1 412 . 1 1 118 118 TYR CB C 13 38.936 0.3 . 1 . . . . . 118 TYR CB . 27012 1 413 . 1 1 118 118 TYR N N 15 118.690 0.25 . 1 . . . . . 118 TYR N . 27012 1 414 . 1 1 119 119 GLN H H 1 8.145 0.02 . 1 . . . . . 119 GLN H . 27012 1 415 . 1 1 119 119 GLN CA C 13 54.609 0.3 . 1 . . . . . 119 GLN CA . 27012 1 416 . 1 1 119 119 GLN CB C 13 32.941 0.3 . 1 . . . . . 119 GLN CB . 27012 1 417 . 1 1 119 119 GLN N N 15 117.576 0.25 . 1 . . . . . 119 GLN N . 27012 1 418 . 1 1 120 120 GLY H H 1 8.241 0.02 . 1 . . . . . 120 GLY H . 27012 1 419 . 1 1 120 120 GLY CA C 13 45.459 0.3 . 1 . . . . . 120 GLY CA . 27012 1 420 . 1 1 120 120 GLY N N 15 113.863 0.25 . 1 . . . . . 120 GLY N . 27012 1 421 . 1 1 121 121 CYS H H 1 8.360 0.02 . 1 . . . . . 121 CYS H . 27012 1 422 . 1 1 121 121 CYS CA C 13 56.203 0.3 . 1 . . . . . 121 CYS CA . 27012 1 423 . 1 1 121 121 CYS CB C 13 52.301 0.3 . 1 . . . . . 121 CYS CB . 27012 1 424 . 1 1 121 121 CYS N N 15 114.549 0.25 . 1 . . . . . 121 CYS N . 27012 1 425 . 1 1 122 122 ALA H H 1 9.094 0.02 . 1 . . . . . 122 ALA H . 27012 1 426 . 1 1 122 122 ALA CA C 13 50.815 0.3 . 1 . . . . . 122 ALA CA . 27012 1 427 . 1 1 122 122 ALA CB C 13 21.352 0.3 . 1 . . . . . 122 ALA CB . 27012 1 428 . 1 1 122 122 ALA N N 15 122.811 0.25 . 1 . . . . . 122 ALA N . 27012 1 429 . 1 1 123 123 GLU H H 1 8.748 0.02 . 1 . . . . . 123 GLU H . 27012 1 430 . 1 1 123 123 GLU CA C 13 59.165 0.3 . 1 . . . . . 123 GLU CA . 27012 1 431 . 1 1 123 123 GLU CB C 13 29.390 0.3 . 1 . . . . . 123 GLU CB . 27012 1 432 . 1 1 123 123 GLU N N 15 124.236 0.25 . 1 . . . . . 123 GLU N . 27012 1 433 . 1 1 124 124 VAL H H 1 7.409 0.02 . 1 . . . . . 124 VAL H . 27012 1 434 . 1 1 124 124 VAL CA C 13 62.771 0.3 . 1 . . . . . 124 VAL CA . 27012 1 435 . 1 1 124 124 VAL CB C 13 31.309 0.3 . 1 . . . . . 124 VAL CB . 27012 1 436 . 1 1 124 124 VAL N N 15 110.631 0.25 . 1 . . . . . 124 VAL N . 27012 1 437 . 1 1 125 125 GLY H H 1 8.035 0.02 . 1 . . . . . 125 GLY H . 27012 1 438 . 1 1 125 125 GLY CA C 13 45.582 0.3 . 1 . . . . . 125 GLY CA . 27012 1 439 . 1 1 125 125 GLY N N 15 108.214 0.25 . 1 . . . . . 125 GLY N . 27012 1 440 . 1 1 126 126 VAL H H 1 6.690 0.02 . 1 . . . . . 126 VAL H . 27012 1 441 . 1 1 126 126 VAL CA C 13 61.062 0.3 . 1 . . . . . 126 VAL CA . 27012 1 442 . 1 1 126 126 VAL CB C 13 34.321 0.3 . 1 . . . . . 126 VAL CB . 27012 1 443 . 1 1 126 126 VAL N N 15 118.751 0.25 . 1 . . . . . 126 VAL N . 27012 1 444 . 1 1 127 127 CYS H H 1 8.579 0.02 . 1 . . . . . 127 CYS H . 27012 1 445 . 1 1 127 127 CYS CA C 13 55.987 0.3 . 1 . . . . . 127 CYS CA . 27012 1 446 . 1 1 127 127 CYS CB C 13 45.382 0.3 . 1 . . . . . 127 CYS CB . 27012 1 447 . 1 1 127 127 CYS N N 15 123.563 0.25 . 1 . . . . . 127 CYS N . 27012 1 448 . 1 1 128 128 TYR H H 1 8.288 0.02 . 1 . . . . . 128 TYR H . 27012 1 449 . 1 1 128 128 TYR CA C 13 55.958 0.3 . 1 . . . . . 128 TYR CA . 27012 1 450 . 1 1 128 128 TYR CB C 13 37.914 0.3 . 1 . . . . . 128 TYR CB . 27012 1 451 . 1 1 128 128 TYR N N 15 123.074 0.25 . 1 . . . . . 128 TYR N . 27012 1 452 . 1 1 130 130 PRO CA C 13 62.899 0.3 . 1 . . . . . 130 PRO CA . 27012 1 453 . 1 1 130 130 PRO CB C 13 31.362 0.3 . 1 . . . . . 130 PRO CB . 27012 1 454 . 1 1 131 131 VAL H H 1 8.519 0.02 . 1 . . . . . 131 VAL H . 27012 1 455 . 1 1 131 131 VAL CA C 13 60.487 0.3 . 1 . . . . . 131 VAL CA . 27012 1 456 . 1 1 131 131 VAL CB C 13 34.722 0.3 . 1 . . . . . 131 VAL CB . 27012 1 457 . 1 1 131 131 VAL N N 15 123.374 0.25 . 1 . . . . . 131 VAL N . 27012 1 458 . 1 1 132 132 ASP H H 1 7.885 0.02 . 1 . . . . . 132 ASP H . 27012 1 459 . 1 1 132 132 ASP CA C 13 51.937 0.3 . 1 . . . . . 132 ASP CA . 27012 1 460 . 1 1 132 132 ASP CB C 13 43.045 0.3 . 1 . . . . . 132 ASP CB . 27012 1 461 . 1 1 132 132 ASP N N 15 121.697 0.25 . 1 . . . . . 132 ASP N . 27012 1 462 . 1 1 133 133 THR H H 1 9.461 0.02 . 1 . . . . . 133 THR H . 27012 1 463 . 1 1 133 133 THR CA C 13 61.931 0.3 . 1 . . . . . 133 THR CA . 27012 1 464 . 1 1 133 133 THR CB C 13 71.093 0.3 . 1 . . . . . 133 THR CB . 27012 1 465 . 1 1 133 133 THR N N 15 120.613 0.25 . 1 . . . . . 133 THR N . 27012 1 466 . 1 1 134 134 GLU H H 1 8.571 0.02 . 1 . . . . . 134 GLU H . 27012 1 467 . 1 1 134 134 GLU CA C 13 54.872 0.3 . 1 . . . . . 134 GLU CA . 27012 1 468 . 1 1 134 134 GLU CB C 13 32.090 0.3 . 1 . . . . . 134 GLU CB . 27012 1 469 . 1 1 134 134 GLU N N 15 127.133 0.25 . 1 . . . . . 134 GLU N . 27012 1 470 . 1 1 135 135 PHE H H 1 9.434 0.02 . 1 . . . . . 135 PHE H . 27012 1 471 . 1 1 135 135 PHE CA C 13 56.416 0.3 . 1 . . . . . 135 PHE CA . 27012 1 472 . 1 1 135 135 PHE CB C 13 42.688 0.3 . 1 . . . . . 135 PHE CB . 27012 1 473 . 1 1 135 135 PHE N N 15 121.445 0.25 . 1 . . . . . 135 PHE N . 27012 1 474 . 1 1 136 136 ASP H H 1 8.686 0.02 . 1 . . . . . 136 ASP H . 27012 1 475 . 1 1 136 136 ASP CA C 13 53.681 0.3 . 1 . . . . . 136 ASP CA . 27012 1 476 . 1 1 136 136 ASP CB C 13 40.650 0.3 . 1 . . . . . 136 ASP CB . 27012 1 477 . 1 1 136 136 ASP N N 15 124.621 0.25 . 1 . . . . . 136 ASP N . 27012 1 478 . 1 1 137 137 ILE H H 1 8.403 0.02 . 1 . . . . . 137 ILE H . 27012 1 479 . 1 1 137 137 ILE CA C 13 60.566 0.3 . 1 . . . . . 137 ILE CA . 27012 1 480 . 1 1 137 137 ILE CB C 13 36.846 0.3 . 1 . . . . . 137 ILE CB . 27012 1 481 . 1 1 137 137 ILE N N 15 126.715 0.25 . 1 . . . . . 137 ILE N . 27012 1 482 . 1 1 138 138 SER H H 1 7.838 0.02 . 1 . . . . . 138 SER H . 27012 1 483 . 1 1 138 138 SER CA C 13 57.098 0.3 . 1 . . . . . 138 SER CA . 27012 1 484 . 1 1 138 138 SER CB C 13 62.766 0.3 . 1 . . . . . 138 SER CB . 27012 1 485 . 1 1 138 138 SER N N 15 120.732 0.25 . 1 . . . . . 138 SER N . 27012 1 486 . 1 1 139 139 GLY H H 1 7.520 0.02 . 1 . . . . . 139 GLY H . 27012 1 487 . 1 1 139 139 GLY CA C 13 43.816 0.3 . 1 . . . . . 139 GLY CA . 27012 1 488 . 1 1 139 139 GLY N N 15 110.555 0.25 . 1 . . . . . 139 GLY N . 27012 1 489 . 1 1 140 140 ASN H H 1 8.613 0.02 . 1 . . . . . 140 ASN H . 27012 1 490 . 1 1 140 140 ASN CA C 13 53.603 0.3 . 1 . . . . . 140 ASN CA . 27012 1 491 . 1 1 140 140 ASN CB C 13 38.060 0.3 . 1 . . . . . 140 ASN CB . 27012 1 492 . 1 1 140 140 ASN N N 15 120.491 0.25 . 1 . . . . . 140 ASN N . 27012 1 493 . 1 1 141 141 GLY H H 1 8.676 0.02 . 1 . . . . . 141 GLY H . 27012 1 494 . 1 1 141 141 GLY CA C 13 44.422 0.3 . 1 . . . . . 141 GLY CA . 27012 1 495 . 1 1 141 141 GLY N N 15 108.495 0.25 . 1 . . . . . 141 GLY N . 27012 1 496 . 1 1 142 142 THR H H 1 8.259 0.02 . 1 . . . . . 142 THR H . 27012 1 497 . 1 1 142 142 THR CA C 13 61.427 0.3 . 1 . . . . . 142 THR CA . 27012 1 498 . 1 1 142 142 THR CB C 13 69.981 0.3 . 1 . . . . . 142 THR CB . 27012 1 499 . 1 1 142 142 THR N N 15 116.607 0.25 . 1 . . . . . 142 THR N . 27012 1 500 . 1 1 143 143 TYR H H 1 9.112 0.02 . 1 . . . . . 143 TYR H . 27012 1 501 . 1 1 143 143 TYR CA C 13 57.226 0.3 . 1 . . . . . 143 TYR CA . 27012 1 502 . 1 1 143 143 TYR CB C 13 41.713 0.3 . 1 . . . . . 143 TYR CB . 27012 1 503 . 1 1 143 143 TYR N N 15 124.584 0.25 . 1 . . . . . 143 TYR N . 27012 1 504 . 1 1 144 144 HIS H H 1 8.864 0.02 . 1 . . . . . 144 HIS H . 27012 1 505 . 1 1 144 144 HIS CA C 13 53.204 0.3 . 1 . . . . . 144 HIS CA . 27012 1 506 . 1 1 144 144 HIS CB C 13 30.575 0.3 . 1 . . . . . 144 HIS CB . 27012 1 507 . 1 1 144 144 HIS N N 15 120.301 0.25 . 1 . . . . . 144 HIS N . 27012 1 508 . 1 1 145 145 PRO CA C 13 63.041 0.3 . 1 . . . . . 145 PRO CA . 27012 1 509 . 1 1 145 145 PRO CB C 13 32.089 0.3 . 1 . . . . . 145 PRO CB . 27012 1 510 . 1 1 146 146 GLN H H 1 8.817 0.02 . 1 . . . . . 146 GLN H . 27012 1 511 . 1 1 146 146 GLN CA C 13 55.925 0.3 . 1 . . . . . 146 GLN CA . 27012 1 512 . 1 1 146 146 GLN CB C 13 29.397 0.3 . 1 . . . . . 146 GLN CB . 27012 1 513 . 1 1 146 146 GLN N N 15 122.873 0.25 . 1 . . . . . 146 GLN N . 27012 1 514 . 1 1 147 147 THR H H 1 7.840 0.02 . 1 . . . . . 147 THR H . 27012 1 515 . 1 1 147 147 THR CA C 13 62.953 0.3 . 1 . . . . . 147 THR CA . 27012 1 516 . 1 1 147 147 THR CB C 13 70.615 0.3 . 1 . . . . . 147 THR CB . 27012 1 517 . 1 1 147 147 THR N N 15 121.125 0.25 . 1 . . . . . 147 THR N . 27012 1 stop_ save_