data_50143 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50143 _Entry.Title ; 1H, 15N, and 13C backbone chemical shift assignments for the first bromodomain of BRD2 (BRD2-BD1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-31 _Entry.Accession_date 2019-12-31 _Entry.Last_release_date 2020-01-02 _Entry.Original_release_date 2020-01-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _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 . _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.ORCID _Entry_author.Entry_ID 1 Karishma Patel . . . . 50143 2 Joel Mackay . . . . 50143 3 Paul Solomon . . . . 50143 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50143 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 263 50143 '15N chemical shifts' 122 50143 '1H chemical shifts' 122 50143 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 . . 2021-08-12 . original BMRB . 50143 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50145 '1H, 15N, and 13C backbone chemical shift assignments for the first bromodomain of BRD4 (BRD4-BD1)' 50143 BMRB 50146 '1H, 15N, and 13C backbone chemical shift assignments for the second bromodomain of BRD4 (BRD4-BD2)' 50143 BMRB 50147 '1H, 15N, and 13C backbone chemical shift assignments for the second bromodomain of BRD3 (BRD3-BD2)' 50143 BMRB 50148 '1H, 15N, and 13C backbone chemical shift assignments for the first bromodomain of BRD3 (BRD3-BD1)' 50143 BMRB 50149 '1H, 15N, and 13C backbone chemical shift assignments for the second bromodomain of BRD2 (BRD2-BD2)' 50143 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50143 _Citation.ID 1 _Citation.Name '1H, 15N, and 13C backbone chemical shift assignments for the first bromodomain of BRD2 (BRD2-BD1)' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33620209 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; BET-Family Bromodomains Can Recognize Diacetylated Sequences from Transcription Factors Using a Conserved Mechanism ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 60 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 648 _Citation.Page_last 662 _Citation.Year 2021 _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 Karishma Patel K. . . . 50143 1 2 Paul Solomon P. D. . . 50143 1 3 James Walshe J. L. . . 50143 1 4 Daniel Ford D. J. . . 50143 1 5 Lorna Wilkinson-White L. . . . 50143 1 6 Richard Payne R. J. . . 50143 1 7 Jason Low . . . . 50143 1 8 Joel Mackay J. P. . . 50143 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50143 _Assembly.ID 1 _Assembly.Name 'The first bromodomain of BRD2 (BRD2-BD1)' _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 'The first bromodomain of BRD2 (BRD2-BD1)' 1 $entity_1 . . yes native no no . . . 50143 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50143 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'The first bromodomain of BRD2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSEVSNPKKPGRVTNQL QYLHKVVMKALWKHQFAWPF RQPVDAVKLGLPDYHKIIKQ PMDMGTIKRRLENNYYWAAS ECMQDFNTMFTNCYIYNKPT DDIVLMAQTLEKIFLQKVAS MPQEEQELVVTIPKN ; _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 50143 1 2 . PRO . 50143 1 3 . LEU . 50143 1 4 . GLY . 50143 1 5 . SER . 50143 1 6 . GLU . 50143 1 7 . VAL . 50143 1 8 . SER . 50143 1 9 . ASN . 50143 1 10 . PRO . 50143 1 11 . LYS . 50143 1 12 . LYS . 50143 1 13 . PRO . 50143 1 14 . GLY . 50143 1 15 . ARG . 50143 1 16 . VAL . 50143 1 17 . THR . 50143 1 18 . ASN . 50143 1 19 . GLN . 50143 1 20 . LEU . 50143 1 21 . GLN . 50143 1 22 . TYR . 50143 1 23 . LEU . 50143 1 24 . HIS . 50143 1 25 . LYS . 50143 1 26 . VAL . 50143 1 27 . VAL . 50143 1 28 . MET . 50143 1 29 . LYS . 50143 1 30 . ALA . 50143 1 31 . LEU . 50143 1 32 . TRP . 50143 1 33 . LYS . 50143 1 34 . HIS . 50143 1 35 . GLN . 50143 1 36 . PHE . 50143 1 37 . ALA . 50143 1 38 . TRP . 50143 1 39 . PRO . 50143 1 40 . PHE . 50143 1 41 . ARG . 50143 1 42 . GLN . 50143 1 43 . PRO . 50143 1 44 . VAL . 50143 1 45 . ASP . 50143 1 46 . ALA . 50143 1 47 . VAL . 50143 1 48 . LYS . 50143 1 49 . LEU . 50143 1 50 . GLY . 50143 1 51 . LEU . 50143 1 52 . PRO . 50143 1 53 . ASP . 50143 1 54 . TYR . 50143 1 55 . HIS . 50143 1 56 . LYS . 50143 1 57 . ILE . 50143 1 58 . ILE . 50143 1 59 . LYS . 50143 1 60 . GLN . 50143 1 61 . PRO . 50143 1 62 . MET . 50143 1 63 . ASP . 50143 1 64 . MET . 50143 1 65 . GLY . 50143 1 66 . THR . 50143 1 67 . ILE . 50143 1 68 . LYS . 50143 1 69 . ARG . 50143 1 70 . ARG . 50143 1 71 . LEU . 50143 1 72 . GLU . 50143 1 73 . ASN . 50143 1 74 . ASN . 50143 1 75 . TYR . 50143 1 76 . TYR . 50143 1 77 . TRP . 50143 1 78 . ALA . 50143 1 79 . ALA . 50143 1 80 . SER . 50143 1 81 . GLU . 50143 1 82 . CYS . 50143 1 83 . MET . 50143 1 84 . GLN . 50143 1 85 . ASP . 50143 1 86 . PHE . 50143 1 87 . ASN . 50143 1 88 . THR . 50143 1 89 . MET . 50143 1 90 . PHE . 50143 1 91 . THR . 50143 1 92 . ASN . 50143 1 93 . CYS . 50143 1 94 . TYR . 50143 1 95 . ILE . 50143 1 96 . TYR . 50143 1 97 . ASN . 50143 1 98 . LYS . 50143 1 99 . PRO . 50143 1 100 . THR . 50143 1 101 . ASP . 50143 1 102 . ASP . 50143 1 103 . ILE . 50143 1 104 . VAL . 50143 1 105 . LEU . 50143 1 106 . MET . 50143 1 107 . ALA . 50143 1 108 . GLN . 50143 1 109 . THR . 50143 1 110 . LEU . 50143 1 111 . GLU . 50143 1 112 . LYS . 50143 1 113 . ILE . 50143 1 114 . PHE . 50143 1 115 . LEU . 50143 1 116 . GLN . 50143 1 117 . LYS . 50143 1 118 . VAL . 50143 1 119 . ALA . 50143 1 120 . SER . 50143 1 121 . MET . 50143 1 122 . PRO . 50143 1 123 . GLN . 50143 1 124 . GLU . 50143 1 125 . GLU . 50143 1 126 . GLN . 50143 1 127 . GLU . 50143 1 128 . LEU . 50143 1 129 . VAL . 50143 1 130 . VAL . 50143 1 131 . THR . 50143 1 132 . ILE . 50143 1 133 . PRO . 50143 1 134 . LYS . 50143 1 135 . ASN . 50143 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 . GLY 1 1 50143 1 . PRO 2 2 50143 1 . LEU 3 3 50143 1 . GLY 4 4 50143 1 . SER 5 5 50143 1 . GLU 6 6 50143 1 . VAL 7 7 50143 1 . SER 8 8 50143 1 . ASN 9 9 50143 1 . PRO 10 10 50143 1 . LYS 11 11 50143 1 . LYS 12 12 50143 1 . PRO 13 13 50143 1 . GLY 14 14 50143 1 . ARG 15 15 50143 1 . VAL 16 16 50143 1 . THR 17 17 50143 1 . ASN 18 18 50143 1 . GLN 19 19 50143 1 . LEU 20 20 50143 1 . GLN 21 21 50143 1 . TYR 22 22 50143 1 . LEU 23 23 50143 1 . HIS 24 24 50143 1 . LYS 25 25 50143 1 . VAL 26 26 50143 1 . VAL 27 27 50143 1 . MET 28 28 50143 1 . LYS 29 29 50143 1 . ALA 30 30 50143 1 . LEU 31 31 50143 1 . TRP 32 32 50143 1 . LYS 33 33 50143 1 . HIS 34 34 50143 1 . GLN 35 35 50143 1 . PHE 36 36 50143 1 . ALA 37 37 50143 1 . TRP 38 38 50143 1 . PRO 39 39 50143 1 . PHE 40 40 50143 1 . ARG 41 41 50143 1 . GLN 42 42 50143 1 . PRO 43 43 50143 1 . VAL 44 44 50143 1 . ASP 45 45 50143 1 . ALA 46 46 50143 1 . VAL 47 47 50143 1 . LYS 48 48 50143 1 . LEU 49 49 50143 1 . GLY 50 50 50143 1 . LEU 51 51 50143 1 . PRO 52 52 50143 1 . ASP 53 53 50143 1 . TYR 54 54 50143 1 . HIS 55 55 50143 1 . LYS 56 56 50143 1 . ILE 57 57 50143 1 . ILE 58 58 50143 1 . LYS 59 59 50143 1 . GLN 60 60 50143 1 . PRO 61 61 50143 1 . MET 62 62 50143 1 . ASP 63 63 50143 1 . MET 64 64 50143 1 . GLY 65 65 50143 1 . THR 66 66 50143 1 . ILE 67 67 50143 1 . LYS 68 68 50143 1 . ARG 69 69 50143 1 . ARG 70 70 50143 1 . LEU 71 71 50143 1 . GLU 72 72 50143 1 . ASN 73 73 50143 1 . ASN 74 74 50143 1 . TYR 75 75 50143 1 . TYR 76 76 50143 1 . TRP 77 77 50143 1 . ALA 78 78 50143 1 . ALA 79 79 50143 1 . SER 80 80 50143 1 . GLU 81 81 50143 1 . CYS 82 82 50143 1 . MET 83 83 50143 1 . GLN 84 84 50143 1 . ASP 85 85 50143 1 . PHE 86 86 50143 1 . ASN 87 87 50143 1 . THR 88 88 50143 1 . MET 89 89 50143 1 . PHE 90 90 50143 1 . THR 91 91 50143 1 . ASN 92 92 50143 1 . CYS 93 93 50143 1 . TYR 94 94 50143 1 . ILE 95 95 50143 1 . TYR 96 96 50143 1 . ASN 97 97 50143 1 . LYS 98 98 50143 1 . PRO 99 99 50143 1 . THR 100 100 50143 1 . ASP 101 101 50143 1 . ASP 102 102 50143 1 . ILE 103 103 50143 1 . VAL 104 104 50143 1 . LEU 105 105 50143 1 . MET 106 106 50143 1 . ALA 107 107 50143 1 . GLN 108 108 50143 1 . THR 109 109 50143 1 . LEU 110 110 50143 1 . GLU 111 111 50143 1 . LYS 112 112 50143 1 . ILE 113 113 50143 1 . PHE 114 114 50143 1 . LEU 115 115 50143 1 . GLN 116 116 50143 1 . LYS 117 117 50143 1 . VAL 118 118 50143 1 . ALA 119 119 50143 1 . SER 120 120 50143 1 . MET 121 121 50143 1 . PRO 122 122 50143 1 . GLN 123 123 50143 1 . GLU 124 124 50143 1 . GLU 125 125 50143 1 . GLN 126 126 50143 1 . GLU 127 127 50143 1 . LEU 128 128 50143 1 . VAL 129 129 50143 1 . VAL 130 130 50143 1 . THR 131 131 50143 1 . ILE 132 132 50143 1 . PRO 133 133 50143 1 . LYS 134 134 50143 1 . ASN 135 135 50143 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50143 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50143 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50143 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . . . . . . plasmid . . pGEX-6P . . . 50143 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50143 _Sample.ID 1 _Sample.Name '15N/13C-labelled BRD2-BD1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 DSS 'natural abundance' . . . . . . 0.01 . . mM . . . . 50143 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 50143 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50143 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50143 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 50143 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard condition' _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' 100 . mM 50143 1 pH 7.2 . pH 50143 1 pressure 1 . atm 50143 1 temperature 298 . K 50143 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50143 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50143 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' CCPN 50143 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50143 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50143 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection TOPSPIN 50143 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50143 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 600-MHz NMR spectrophotometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50143 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance III 800-MHz NMR spectrophotometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50143 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50143 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50143 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50143 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50143 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50143 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50143 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50143 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name BRD2-BD1_BMRB_assignments _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 protons . . . . ppm 0 internal indirect 1 . . . . . 50143 1 H 1 DSS protons . . . . ppm 0 internal direct 10 . . . . . 50143 1 N 15 DSS protons . . . . ppm 0 internal indirect 2.5 . . . . . 50143 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50143 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name BRD2-BD1_BMRB_assignments _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 $chem_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' . . . 50143 1 2 '3D HNCACB' . . . 50143 1 3 '3D CBCA(CO)NH' . . . 50143 1 4 '3D HNCA' . . . 50143 1 5 '3D HNCO' . . . 50143 1 6 '3D HN(CO)CA' . . . 50143 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 PRO CA C 13 63.074 . . 1 . . 118 . . 2 PRO CA . 50143 1 2 . 1 . 1 2 2 PRO CB C 13 32.341 . . 1 . . 119 . . 2 PRO CB . 50143 1 3 . 1 . 1 3 3 LEU H H 1 8.552 0.007 . 1 . . 94 . . 3 LEU H . 50143 1 4 . 1 . 1 3 3 LEU CA C 13 55.455 0.048 . 1 . . 96 . . 3 LEU CA . 50143 1 5 . 1 . 1 3 3 LEU CB C 13 42.303 0.011 . 1 . . 97 . . 3 LEU CB . 50143 1 6 . 1 . 1 3 3 LEU N N 15 122.511 0.021 . 1 . . 95 . . 3 LEU N . 50143 1 7 . 1 . 1 4 4 GLY H H 1 8.474 0.002 . 1 . . 8 . . 4 GLY H . 50143 1 8 . 1 . 1 4 4 GLY CA C 13 45.355 0.051 . 1 . . 10 . . 4 GLY CA . 50143 1 9 . 1 . 1 4 4 GLY N N 15 110.189 0.022 . 1 . . 9 . . 4 GLY N . 50143 1 10 . 1 . 1 5 5 SER H H 1 8.161 0.002 . 1 . . 90 . . 5 SER H . 50143 1 11 . 1 . 1 5 5 SER CA C 13 58.391 0.017 . 1 . . 92 . . 5 SER CA . 50143 1 12 . 1 . 1 5 5 SER CB C 13 63.980 0.067 . 1 . . 93 . . 5 SER CB . 50143 1 13 . 1 . 1 5 5 SER N N 15 115.521 0.029 . 1 . . 91 . . 5 SER N . 50143 1 14 . 1 . 1 6 6 GLU H H 1 8.634 0.001 . 1 . . 98 . . 6 GLU H . 50143 1 15 . 1 . 1 6 6 GLU CA C 13 56.859 0.068 . 1 . . 100 . . 6 GLU CA . 50143 1 16 . 1 . 1 6 6 GLU CB C 13 29.975 0.003 . 1 . . 101 . . 6 GLU CB . 50143 1 17 . 1 . 1 6 6 GLU N N 15 122.797 0.009 . 1 . . 99 . . 6 GLU N . 50143 1 18 . 1 . 1 7 7 VAL H H 1 8.180 0.001 . 1 . . 104 . . 7 VAL H . 50143 1 19 . 1 . 1 7 7 VAL CA C 13 61.960 0.001 . 1 . . 108 . . 7 VAL CA . 50143 1 20 . 1 . 1 7 7 VAL CB C 13 32.591 0.016 . 1 . . 109 . . 7 VAL CB . 50143 1 21 . 1 . 1 7 7 VAL N N 15 118.856 0.002 . 1 . . 105 . . 7 VAL N . 50143 1 22 . 1 . 1 8 8 SER H H 1 8.101 0.001 . 1 . . 110 . . 8 SER H . 50143 1 23 . 1 . 1 8 8 SER CA C 13 57.978 0.069 . 1 . . 112 . . 8 SER CA . 50143 1 24 . 1 . 1 8 8 SER CB C 13 64.093 0.024 . 1 . . 113 . . 8 SER CB . 50143 1 25 . 1 . 1 8 8 SER N N 15 117.856 0.021 . 1 . . 111 . . 8 SER N . 50143 1 26 . 1 . 1 9 9 ASN H H 1 8.600 0.005 . 1 . . 114 . . 9 ASN H . 50143 1 27 . 1 . 1 9 9 ASN CA C 13 51.418 . . 1 . . 116 . . 9 ASN CA . 50143 1 28 . 1 . 1 9 9 ASN CB C 13 39.152 . . 1 . . 117 . . 9 ASN CB . 50143 1 29 . 1 . 1 9 9 ASN N N 15 121.496 0.039 . 1 . . 115 . . 9 ASN N . 50143 1 30 . 1 . 1 10 10 PRO CA C 13 63.338 . . 1 . . 519 . . 10 PRO CA . 50143 1 31 . 1 . 1 10 10 PRO CB C 13 32.155 . . 1 . . 520 . . 10 PRO CB . 50143 1 32 . 1 . 1 11 11 LYS H H 1 8.216 0.001 . 1 . . 451 . . 11 LYS H . 50143 1 33 . 1 . 1 11 11 LYS CA C 13 56.113 0.02 . 1 . . 453 . . 11 LYS CA . 50143 1 34 . 1 . 1 11 11 LYS CB C 13 32.954 0.003 . 1 . . 454 . . 11 LYS CB . 50143 1 35 . 1 . 1 11 11 LYS N N 15 120.639 0.004 . 1 . . 452 . . 11 LYS N . 50143 1 36 . 1 . 1 12 12 LYS H H 1 8.058 0.001 . 1 . . 455 . . 12 LYS H . 50143 1 37 . 1 . 1 12 12 LYS CA C 13 54.180 . . 1 . . 457 . . 12 LYS CA . 50143 1 38 . 1 . 1 12 12 LYS CB C 13 32.905 . . 1 . . 458 . . 12 LYS CB . 50143 1 39 . 1 . 1 12 12 LYS N N 15 124.684 0.014 . 1 . . 456 . . 12 LYS N . 50143 1 40 . 1 . 1 13 13 PRO CA C 13 63.586 . . 1 . . 58 . . 13 PRO CA . 50143 1 41 . 1 . 1 13 13 PRO CB C 13 32.416 . . 1 . . 59 . . 13 PRO CB . 50143 1 42 . 1 . 1 14 14 GLY H H 1 7.917 0.001 . 1 . . 1 . . 14 GLY H . 50143 1 43 . 1 . 1 14 14 GLY CA C 13 44.447 0.016 . 1 . . 4 . . 14 GLY CA . 50143 1 44 . 1 . 1 14 14 GLY N N 15 108.480 0.01 . 1 . . 2 . . 14 GLY N . 50143 1 45 . 1 . 1 15 15 ARG H H 1 8.500 0.001 . 1 . . 14 . . 15 ARG H . 50143 1 46 . 1 . 1 15 15 ARG CA C 13 54.838 0.013 . 1 . . 16 . . 15 ARG CA . 50143 1 47 . 1 . 1 15 15 ARG CB C 13 33.718 0.009 . 1 . . 17 . . 15 ARG CB . 50143 1 48 . 1 . 1 15 15 ARG N N 15 116.922 0.008 . 1 . . 15 . . 15 ARG N . 50143 1 49 . 1 . 1 16 16 VAL H H 1 8.364 0.002 . 1 . . 18 . . 16 VAL H . 50143 1 50 . 1 . 1 16 16 VAL CA C 13 62.720 0.017 . 1 . . 20 . . 16 VAL CA . 50143 1 51 . 1 . 1 16 16 VAL CB C 13 32.662 0.038 . 1 . . 21 . . 16 VAL CB . 50143 1 52 . 1 . 1 16 16 VAL N N 15 116.943 0.021 . 1 . . 19 . . 16 VAL N . 50143 1 53 . 1 . 1 17 17 THR H H 1 6.601 0.001 . 1 . . 22 . . 17 THR H . 50143 1 54 . 1 . 1 17 17 THR CA C 13 57.793 0.017 . 1 . . 24 . . 17 THR CA . 50143 1 55 . 1 . 1 17 17 THR CB C 13 72.825 0.011 . 1 . . 25 . . 17 THR CB . 50143 1 56 . 1 . 1 17 17 THR N N 15 113.613 0.01 . 1 . . 23 . . 17 THR N . 50143 1 57 . 1 . 1 18 18 ASN H H 1 9.444 0.001 . 1 . . 26 . . 18 ASN H . 50143 1 58 . 1 . 1 18 18 ASN CA C 13 56.610 0.057 . 1 . . 28 . . 18 ASN CA . 50143 1 59 . 1 . 1 18 18 ASN CB C 13 35.438 0.006 . 1 . . 29 . . 18 ASN CB . 50143 1 60 . 1 . 1 18 18 ASN N N 15 121.573 0.019 . 1 . . 27 . . 18 ASN N . 50143 1 61 . 1 . 1 19 19 GLN H H 1 8.045 0.001 . 1 . . 30 . . 19 GLN H . 50143 1 62 . 1 . 1 19 19 GLN CA C 13 59.821 0.042 . 1 . . 32 . . 19 GLN CA . 50143 1 63 . 1 . 1 19 19 GLN CB C 13 30.087 0.065 . 1 . . 33 . . 19 GLN CB . 50143 1 64 . 1 . 1 19 19 GLN N N 15 123.513 0.024 . 1 . . 31 . . 19 GLN N . 50143 1 65 . 1 . 1 20 20 LEU H H 1 8.140 0.0 . 1 . . 34 . . 20 LEU H . 50143 1 66 . 1 . 1 20 20 LEU CA C 13 59.150 0.024 . 1 . . 36 . . 20 LEU CA . 50143 1 67 . 1 . 1 20 20 LEU CB C 13 42.545 0.01 . 1 . . 37 . . 20 LEU CB . 50143 1 68 . 1 . 1 20 20 LEU N N 15 121.690 0.021 . 1 . . 35 . . 20 LEU N . 50143 1 69 . 1 . 1 21 21 GLN H H 1 8.879 0.001 . 1 . . 38 . . 21 GLN H . 50143 1 70 . 1 . 1 21 21 GLN CA C 13 59.553 0.04 . 1 . . 40 . . 21 GLN CA . 50143 1 71 . 1 . 1 21 21 GLN CB C 13 29.403 0.017 . 1 . . 41 . . 21 GLN CB . 50143 1 72 . 1 . 1 21 21 GLN N N 15 118.909 0.015 . 1 . . 39 . . 21 GLN N . 50143 1 73 . 1 . 1 22 22 TYR H H 1 7.871 0.001 . 1 . . 42 . . 22 TYR H . 50143 1 74 . 1 . 1 22 22 TYR CA C 13 62.066 0.066 . 1 . . 44 . . 22 TYR CA . 50143 1 75 . 1 . 1 22 22 TYR CB C 13 38.798 0.065 . 1 . . 45 . . 22 TYR CB . 50143 1 76 . 1 . 1 22 22 TYR N N 15 121.456 0.006 . 1 . . 43 . . 22 TYR N . 50143 1 77 . 1 . 1 23 23 LEU H H 1 8.841 0.002 . 1 . . 46 . . 23 LEU H . 50143 1 78 . 1 . 1 23 23 LEU CA C 13 58.538 0.047 . 1 . . 48 . . 23 LEU CA . 50143 1 79 . 1 . 1 23 23 LEU CB C 13 41.934 0.0 . 1 . . 49 . . 23 LEU CB . 50143 1 80 . 1 . 1 23 23 LEU N N 15 121.380 0.017 . 1 . . 47 . . 23 LEU N . 50143 1 81 . 1 . 1 24 24 HIS H H 1 8.350 0.001 . 1 . . 50 . . 24 HIS H . 50143 1 82 . 1 . 1 24 24 HIS CA C 13 58.440 0.022 . 1 . . 52 . . 24 HIS CA . 50143 1 83 . 1 . 1 24 24 HIS CB C 13 33.469 0.019 . 1 . . 53 . . 24 HIS CB . 50143 1 84 . 1 . 1 24 24 HIS N N 15 118.077 0.035 . 1 . . 51 . . 24 HIS N . 50143 1 85 . 1 . 1 25 25 LYS H H 1 9.140 0.002 . 1 . . 54 . . 25 LYS H . 50143 1 86 . 1 . 1 25 25 LYS CA C 13 58.063 . . 1 . . 56 . . 25 LYS CA . 50143 1 87 . 1 . 1 25 25 LYS CB C 13 32.870 . . 1 . . 57 . . 25 LYS CB . 50143 1 88 . 1 . 1 25 25 LYS N N 15 115.068 0.02 . 1 . . 55 . . 25 LYS N . 50143 1 89 . 1 . 1 26 26 VAL CA C 13 64.140 . . 1 . . 517 . . 26 VAL CA . 50143 1 90 . 1 . 1 26 26 VAL CB C 13 32.150 . . 1 . . 518 . . 26 VAL CB . 50143 1 91 . 1 . 1 27 27 VAL H H 1 7.336 0.002 . 1 . . 505 . . 27 VAL H . 50143 1 92 . 1 . 1 27 27 VAL CA C 13 68.027 0.044 . 1 . . 507 . . 27 VAL CA . 50143 1 93 . 1 . 1 27 27 VAL CB C 13 30.713 0.025 . 1 . . 508 . . 27 VAL CB . 50143 1 94 . 1 . 1 27 27 VAL N N 15 119.302 0.02 . 1 . . 506 . . 27 VAL N . 50143 1 95 . 1 . 1 28 28 MET H H 1 9.378 0.002 . 1 . . 501 . . 28 MET H . 50143 1 96 . 1 . 1 28 28 MET CA C 13 57.471 0.005 . 1 . . 503 . . 28 MET CA . 50143 1 97 . 1 . 1 28 28 MET CB C 13 30.801 0.006 . 1 . . 504 . . 28 MET CB . 50143 1 98 . 1 . 1 28 28 MET N N 15 117.659 0.011 . 1 . . 502 . . 28 MET N . 50143 1 99 . 1 . 1 29 29 LYS H H 1 6.253 0.001 . 1 . . 497 . . 29 LYS H . 50143 1 100 . 1 . 1 29 29 LYS CA C 13 59.298 0.063 . 1 . . 499 . . 29 LYS CA . 50143 1 101 . 1 . 1 29 29 LYS CB C 13 32.796 0.057 . 1 . . 500 . . 29 LYS CB . 50143 1 102 . 1 . 1 29 29 LYS N N 15 115.586 0.004 . 1 . . 498 . . 29 LYS N . 50143 1 103 . 1 . 1 30 30 ALA H H 1 7.024 0.001 . 1 . . 355 . . 30 ALA H . 50143 1 104 . 1 . 1 30 30 ALA CA C 13 54.410 0.053 . 1 . . 357 . . 30 ALA CA . 50143 1 105 . 1 . 1 30 30 ALA CB C 13 18.541 0.044 . 1 . . 358 . . 30 ALA CB . 50143 1 106 . 1 . 1 30 30 ALA N N 15 117.493 0.013 . 1 . . 356 . . 30 ALA N . 50143 1 107 . 1 . 1 31 31 LEU H H 1 8.094 0.001 . 1 . . 359 . . 31 LEU H . 50143 1 108 . 1 . 1 31 31 LEU CA C 13 57.958 0.044 . 1 . . 361 . . 31 LEU CA . 50143 1 109 . 1 . 1 31 31 LEU CB C 13 43.031 0.02 . 1 . . 362 . . 31 LEU CB . 50143 1 110 . 1 . 1 31 31 LEU N N 15 116.762 0.016 . 1 . . 360 . . 31 LEU N . 50143 1 111 . 1 . 1 32 32 TRP H H 1 9.066 0.001 . 1 . . 363 . . 32 TRP H . 50143 1 112 . 1 . 1 32 32 TRP CA C 13 60.692 0.064 . 1 . . 365 . . 32 TRP CA . 50143 1 113 . 1 . 1 32 32 TRP CB C 13 30.168 0.005 . 1 . . 366 . . 32 TRP CB . 50143 1 114 . 1 . 1 32 32 TRP N N 15 116.700 0.022 . 1 . . 364 . . 32 TRP N . 50143 1 115 . 1 . 1 33 33 LYS H H 1 7.076 0.001 . 1 . . 367 . . 33 LYS H . 50143 1 116 . 1 . 1 33 33 LYS CA C 13 55.218 0.06 . 1 . . 369 . . 33 LYS CA . 50143 1 117 . 1 . 1 33 33 LYS CB C 13 32.815 0.063 . 1 . . 370 . . 33 LYS CB . 50143 1 118 . 1 . 1 33 33 LYS N N 15 109.923 0.012 . 1 . . 368 . . 33 LYS N . 50143 1 119 . 1 . 1 34 34 HIS H H 1 7.510 0.002 . 1 . . 371 . . 34 HIS H . 50143 1 120 . 1 . 1 34 34 HIS CA C 13 59.458 0.018 . 1 . . 373 . . 34 HIS CA . 50143 1 121 . 1 . 1 34 34 HIS CB C 13 31.868 0.026 . 1 . . 374 . . 34 HIS CB . 50143 1 122 . 1 . 1 34 34 HIS N N 15 124.007 0.01 . 1 . . 372 . . 34 HIS N . 50143 1 123 . 1 . 1 35 35 GLN H H 1 8.442 0.001 . 1 . . 375 . . 35 GLN H . 50143 1 124 . 1 . 1 35 35 GLN CA C 13 59.169 . . 1 . . 377 . . 35 GLN CA . 50143 1 125 . 1 . 1 35 35 GLN CB C 13 27.969 . . 1 . . 378 . . 35 GLN CB . 50143 1 126 . 1 . 1 35 35 GLN N N 15 128.208 0.011 . 1 . . 376 . . 35 GLN N . 50143 1 127 . 1 . 1 36 36 PHE CA C 13 53.456 . . 1 . . 516 . . 36 PHE CA . 50143 1 128 . 1 . 1 36 36 PHE CB C 13 37.099 . . 1 . . 515 . . 36 PHE CB . 50143 1 129 . 1 . 1 37 37 ALA H H 1 8.192 0.002 . 1 . . 379 . . 37 ALA H . 50143 1 130 . 1 . 1 37 37 ALA CA C 13 54.423 0.06 . 1 . . 381 . . 37 ALA CA . 50143 1 131 . 1 . 1 37 37 ALA CB C 13 19.856 0.006 . 1 . . 382 . . 37 ALA CB . 50143 1 132 . 1 . 1 37 37 ALA N N 15 116.761 0.025 . 1 . . 380 . . 37 ALA N . 50143 1 133 . 1 . 1 38 38 TRP H H 1 7.461 0.001 . 1 . . 383 . . 38 TRP H . 50143 1 134 . 1 . 1 38 38 TRP CA C 13 61.874 . . 1 . . 385 . . 38 TRP CA . 50143 1 135 . 1 . 1 38 38 TRP CB C 13 27.449 . . 1 . . 386 . . 38 TRP CB . 50143 1 136 . 1 . 1 38 38 TRP N N 15 115.692 0.006 . 1 . . 384 . . 38 TRP N . 50143 1 137 . 1 . 1 39 39 PRO CA C 13 64.548 . . 1 . . 513 . . 39 PRO CA . 50143 1 138 . 1 . 1 39 39 PRO CB C 13 30.536 . . 1 . . 514 . . 39 PRO CB . 50143 1 139 . 1 . 1 40 40 PHE H H 1 7.986 0.001 . 1 . . 393 . . 40 PHE H . 50143 1 140 . 1 . 1 40 40 PHE CA C 13 57.129 0.062 . 1 . . 395 . . 40 PHE CA . 50143 1 141 . 1 . 1 40 40 PHE CB C 13 40.564 0.022 . 1 . . 396 . . 40 PHE CB . 50143 1 142 . 1 . 1 40 40 PHE N N 15 111.833 0.02 . 1 . . 394 . . 40 PHE N . 50143 1 143 . 1 . 1 41 41 ARG H H 1 6.965 0.001 . 1 . . 397 . . 41 ARG H . 50143 1 144 . 1 . 1 41 41 ARG CA C 13 59.330 0.077 . 1 . . 399 . . 41 ARG CA . 50143 1 145 . 1 . 1 41 41 ARG CB C 13 30.982 0.005 . 1 . . 400 . . 41 ARG CB . 50143 1 146 . 1 . 1 41 41 ARG N N 15 118.160 0.026 . 1 . . 398 . . 41 ARG N . 50143 1 147 . 1 . 1 42 42 GLN H H 1 7.401 0.001 . 1 . . 401 . . 42 GLN H . 50143 1 148 . 1 . 1 42 42 GLN CA C 13 53.408 . . 1 . . 403 . . 42 GLN CA . 50143 1 149 . 1 . 1 42 42 GLN CB C 13 28.538 . . 1 . . 404 . . 42 GLN CB . 50143 1 150 . 1 . 1 42 42 GLN N N 15 113.267 0.012 . 1 . . 402 . . 42 GLN N . 50143 1 151 . 1 . 1 43 43 PRO CA C 13 62.797 . . 1 . . 88 . . 43 PRO CA . 50143 1 152 . 1 . 1 43 43 PRO CB C 13 32.336 . . 1 . . 89 . . 43 PRO CB . 50143 1 153 . 1 . 1 44 44 VAL H H 1 8.677 0.001 . 1 . . 84 . . 44 VAL H . 50143 1 154 . 1 . 1 44 44 VAL CA C 13 64.507 0.069 . 1 . . 86 . . 44 VAL CA . 50143 1 155 . 1 . 1 44 44 VAL CB C 13 32.415 0.026 . 1 . . 87 . . 44 VAL CB . 50143 1 156 . 1 . 1 44 44 VAL N N 15 125.164 0.023 . 1 . . 85 . . 44 VAL N . 50143 1 157 . 1 . 1 45 45 ASP H H 1 7.908 0.002 . 1 . . 80 . . 45 ASP H . 50143 1 158 . 1 . 1 45 45 ASP CA C 13 52.057 0.008 . 1 . . 82 . . 45 ASP CA . 50143 1 159 . 1 . 1 45 45 ASP CB C 13 40.188 0.069 . 1 . . 83 . . 45 ASP CB . 50143 1 160 . 1 . 1 45 45 ASP N N 15 129.180 0.023 . 1 . . 81 . . 45 ASP N . 50143 1 161 . 1 . 1 46 46 ALA H H 1 8.659 0.004 . 1 . . 76 . . 46 ALA H . 50143 1 162 . 1 . 1 46 46 ALA CA C 13 55.034 0.013 . 1 . . 78 . . 46 ALA CA . 50143 1 163 . 1 . 1 46 46 ALA CB C 13 19.265 0.033 . 1 . . 79 . . 46 ALA CB . 50143 1 164 . 1 . 1 46 46 ALA N N 15 125.408 0.036 . 1 . . 77 . . 46 ALA N . 50143 1 165 . 1 . 1 47 47 VAL H H 1 7.964 0.001 . 1 . . 72 . . 47 VAL H . 50143 1 166 . 1 . 1 47 47 VAL CA C 13 65.607 0.072 . 1 . . 74 . . 47 VAL CA . 50143 1 167 . 1 . 1 47 47 VAL CB C 13 31.732 0.035 . 1 . . 75 . . 47 VAL CB . 50143 1 168 . 1 . 1 47 47 VAL N N 15 118.023 0.007 . 1 . . 73 . . 47 VAL N . 50143 1 169 . 1 . 1 48 48 LYS H H 1 7.800 0.001 . 1 . . 68 . . 48 LYS H . 50143 1 170 . 1 . 1 48 48 LYS CA C 13 58.916 0.02 . 1 . . 70 . . 48 LYS CA . 50143 1 171 . 1 . 1 48 48 LYS CB C 13 32.713 0.014 . 1 . . 71 . . 48 LYS CB . 50143 1 172 . 1 . 1 48 48 LYS N N 15 122.634 0.009 . 1 . . 69 . . 48 LYS N . 50143 1 173 . 1 . 1 49 49 LEU H H 1 7.995 0.001 . 1 . . 64 . . 49 LEU H . 50143 1 174 . 1 . 1 49 49 LEU CA C 13 55.171 0.034 . 1 . . 66 . . 49 LEU CA . 50143 1 175 . 1 . 1 49 49 LEU CB C 13 42.501 0.031 . 1 . . 67 . . 49 LEU CB . 50143 1 176 . 1 . 1 49 49 LEU N N 15 114.780 0.02 . 1 . . 65 . . 49 LEU N . 50143 1 177 . 1 . 1 50 50 GLY H H 1 7.482 0.001 . 1 . . 5 . . 50 GLY H . 50143 1 178 . 1 . 1 50 50 GLY CA C 13 47.263 0.05 . 1 . . 7 . . 50 GLY CA . 50143 1 179 . 1 . 1 50 50 GLY N N 15 109.162 0.016 . 1 . . 6 . . 50 GLY N . 50143 1 180 . 1 . 1 51 51 LEU H H 1 8.212 0.001 . 1 . . 60 . . 51 LEU H . 50143 1 181 . 1 . 1 51 51 LEU CA C 13 51.454 . . 1 . . 62 . . 51 LEU CA . 50143 1 182 . 1 . 1 51 51 LEU CB C 13 41.682 . . 1 . . 63 . . 51 LEU CB . 50143 1 183 . 1 . 1 51 51 LEU N N 15 119.410 0.01 . 1 . . 61 . . 51 LEU N . 50143 1 184 . 1 . 1 52 52 PRO CA C 13 64.685 . . 1 . . 483 . . 52 PRO CA . 50143 1 185 . 1 . 1 52 52 PRO CB C 13 31.862 . . 1 . . 484 . . 52 PRO CB . 50143 1 186 . 1 . 1 53 53 ASP H H 1 8.747 0.003 . 1 . . 479 . . 53 ASP H . 50143 1 187 . 1 . 1 53 53 ASP CA C 13 54.036 . . 1 . . 482 . . 53 ASP CA . 50143 1 188 . 1 . 1 53 53 ASP CB C 13 40.461 0.066 . 1 . . 481 . . 53 ASP CB . 50143 1 189 . 1 . 1 53 53 ASP N N 15 116.865 0.034 . 1 . . 480 . . 53 ASP N . 50143 1 190 . 1 . 1 54 54 TYR H H 1 7.585 0.001 . 1 . . 475 . . 54 TYR H . 50143 1 191 . 1 . 1 54 54 TYR CA C 13 63.706 0.068 . 1 . . 477 . . 54 TYR CA . 50143 1 192 . 1 . 1 54 54 TYR CB C 13 39.507 0.043 . 1 . . 478 . . 54 TYR CB . 50143 1 193 . 1 . 1 54 54 TYR N N 15 122.730 0.017 . 1 . . 476 . . 54 TYR N . 50143 1 194 . 1 . 1 55 55 HIS H H 1 8.283 0.001 . 1 . . 471 . . 55 HIS H . 50143 1 195 . 1 . 1 55 55 HIS CA C 13 57.956 0.079 . 1 . . 473 . . 55 HIS CA . 50143 1 196 . 1 . 1 55 55 HIS CB C 13 29.266 0.046 . 1 . . 474 . . 55 HIS CB . 50143 1 197 . 1 . 1 55 55 HIS N N 15 112.613 0.011 . 1 . . 472 . . 55 HIS N . 50143 1 198 . 1 . 1 56 56 LYS H H 1 7.285 0.001 . 1 . . 467 . . 56 LYS H . 50143 1 199 . 1 . 1 56 56 LYS CA C 13 57.524 0.011 . 1 . . 469 . . 56 LYS CA . 50143 1 200 . 1 . 1 56 56 LYS CB C 13 32.677 0.026 . 1 . . 470 . . 56 LYS CB . 50143 1 201 . 1 . 1 56 56 LYS N N 15 118.045 0.024 . 1 . . 468 . . 56 LYS N . 50143 1 202 . 1 . 1 57 57 ILE H H 1 7.181 0.001 . 1 . . 463 . . 57 ILE H . 50143 1 203 . 1 . 1 57 57 ILE CA C 13 62.304 0.071 . 1 . . 465 . . 57 ILE CA . 50143 1 204 . 1 . 1 57 57 ILE CB C 13 39.780 0.002 . 1 . . 466 . . 57 ILE CB . 50143 1 205 . 1 . 1 57 57 ILE N N 15 118.784 0.012 . 1 . . 464 . . 57 ILE N . 50143 1 206 . 1 . 1 58 58 ILE H H 1 8.294 0.001 . 1 . . 459 . . 58 ILE H . 50143 1 207 . 1 . 1 58 58 ILE CA C 13 57.416 0.064 . 1 . . 461 . . 58 ILE CA . 50143 1 208 . 1 . 1 58 58 ILE CB C 13 34.157 0.06 . 1 . . 462 . . 58 ILE CB . 50143 1 209 . 1 . 1 58 58 ILE N N 15 121.705 0.015 . 1 . . 460 . . 58 ILE N . 50143 1 210 . 1 . 1 59 59 LYS H H 1 7.858 0.001 . 1 . . 489 . . 59 LYS H . 50143 1 211 . 1 . 1 59 59 LYS CA C 13 56.781 0.003 . 1 . . 491 . . 59 LYS CA . 50143 1 212 . 1 . 1 59 59 LYS CB C 13 32.760 0.004 . 1 . . 492 . . 59 LYS CB . 50143 1 213 . 1 . 1 59 59 LYS N N 15 124.650 0.012 . 1 . . 490 . . 59 LYS N . 50143 1 214 . 1 . 1 60 60 GLN H H 1 8.376 0.002 . 1 . . 485 . . 60 GLN H . 50143 1 215 . 1 . 1 60 60 GLN CA C 13 52.305 . . 1 . . 487 . . 60 GLN CA . 50143 1 216 . 1 . 1 60 60 GLN CB C 13 29.580 . . 1 . . 488 . . 60 GLN CB . 50143 1 217 . 1 . 1 60 60 GLN N N 15 118.304 0.031 . 1 . . 486 . . 60 GLN N . 50143 1 218 . 1 . 1 61 61 PRO CA C 13 63.289 . . 1 . . 136 . . 61 PRO CA . 50143 1 219 . 1 . 1 61 61 PRO CB C 13 32.152 . . 1 . . 137 . . 61 PRO CB . 50143 1 220 . 1 . 1 62 62 MET H H 1 8.071 0.001 . 1 . . 132 . . 62 MET H . 50143 1 221 . 1 . 1 62 62 MET CA C 13 54.142 0.063 . 1 . . 134 . . 62 MET CA . 50143 1 222 . 1 . 1 62 62 MET CB C 13 31.756 0.067 . 1 . . 135 . . 62 MET CB . 50143 1 223 . 1 . 1 62 62 MET N N 15 119.294 0.01 . 1 . . 133 . . 62 MET N . 50143 1 224 . 1 . 1 63 63 ASP H H 1 7.359 0.001 . 1 . . 128 . . 63 ASP H . 50143 1 225 . 1 . 1 63 63 ASP CA C 13 52.904 0.022 . 1 . . 130 . . 63 ASP CA . 50143 1 226 . 1 . 1 63 63 ASP CB C 13 44.545 0.065 . 1 . . 131 . . 63 ASP CB . 50143 1 227 . 1 . 1 63 63 ASP N N 15 119.824 0.016 . 1 . . 129 . . 63 ASP N . 50143 1 228 . 1 . 1 64 64 MET H H 1 9.172 0.001 . 1 . . 124 . . 64 MET H . 50143 1 229 . 1 . 1 64 64 MET CA C 13 59.980 0.011 . 1 . . 126 . . 64 MET CA . 50143 1 230 . 1 . 1 64 64 MET CB C 13 35.419 0.015 . 1 . . 127 . . 64 MET CB . 50143 1 231 . 1 . 1 64 64 MET N N 15 119.227 0.015 . 1 . . 125 . . 64 MET N . 50143 1 232 . 1 . 1 65 65 GLY H H 1 8.702 0.001 . 1 . . 11 . . 65 GLY H . 50143 1 233 . 1 . 1 65 65 GLY CA C 13 47.837 0.065 . 1 . . 13 . . 65 GLY CA . 50143 1 234 . 1 . 1 65 65 GLY N N 15 112.153 0.017 . 1 . . 12 . . 65 GLY N . 50143 1 235 . 1 . 1 66 66 THR H H 1 8.191 0.002 . 1 . . 120 . . 66 THR H . 50143 1 236 . 1 . 1 66 66 THR CA C 13 67.031 0.02 . 1 . . 122 . . 66 THR CA . 50143 1 237 . 1 . 1 66 66 THR CB C 13 67.591 . . 1 . . 123 . . 66 THR CB . 50143 1 238 . 1 . 1 66 66 THR N N 15 123.502 0.009 . 1 . . 121 . . 66 THR N . 50143 1 239 . 1 . 1 67 67 ILE H H 1 7.212 0.001 . 1 . . 314 . . 67 ILE H . 50143 1 240 . 1 . 1 67 67 ILE CA C 13 65.716 0.05 . 1 . . 317 . . 67 ILE CA . 50143 1 241 . 1 . 1 67 67 ILE CB C 13 38.692 0.026 . 1 . . 316 . . 67 ILE CB . 50143 1 242 . 1 . 1 67 67 ILE N N 15 121.141 0.021 . 1 . . 315 . . 67 ILE N . 50143 1 243 . 1 . 1 68 68 LYS H H 1 8.617 0.002 . 1 . . 318 . . 68 LYS H . 50143 1 244 . 1 . 1 68 68 LYS CA C 13 61.066 0.006 . 1 . . 320 . . 68 LYS CA . 50143 1 245 . 1 . 1 68 68 LYS CB C 13 33.063 0.052 . 1 . . 321 . . 68 LYS CB . 50143 1 246 . 1 . 1 68 68 LYS N N 15 120.319 0.03 . 1 . . 319 . . 68 LYS N . 50143 1 247 . 1 . 1 69 69 ARG H H 1 7.896 0.003 . 1 . . 322 . . 69 ARG H . 50143 1 248 . 1 . 1 69 69 ARG CA C 13 59.184 0.02 . 1 . . 324 . . 69 ARG CA . 50143 1 249 . 1 . 1 69 69 ARG CB C 13 29.895 0.024 . 1 . . 325 . . 69 ARG CB . 50143 1 250 . 1 . 1 69 69 ARG N N 15 117.800 0.021 . 1 . . 323 . . 69 ARG N . 50143 1 251 . 1 . 1 70 70 ARG H H 1 8.187 0.001 . 1 . . 326 . . 70 ARG H . 50143 1 252 . 1 . 1 70 70 ARG CA C 13 60.268 0.014 . 1 . . 328 . . 70 ARG CA . 50143 1 253 . 1 . 1 70 70 ARG CB C 13 29.901 0.025 . 1 . . 329 . . 70 ARG CB . 50143 1 254 . 1 . 1 70 70 ARG N N 15 120.504 0.019 . 1 . . 327 . . 70 ARG N . 50143 1 255 . 1 . 1 71 71 LEU H H 1 8.619 0.002 . 1 . . 330 . . 71 LEU H . 50143 1 256 . 1 . 1 71 71 LEU CA C 13 58.154 0.012 . 1 . . 332 . . 71 LEU CA . 50143 1 257 . 1 . 1 71 71 LEU CB C 13 41.845 0.063 . 1 . . 333 . . 71 LEU CB . 50143 1 258 . 1 . 1 71 71 LEU N N 15 120.597 0.011 . 1 . . 331 . . 71 LEU N . 50143 1 259 . 1 . 1 72 72 GLU H H 1 8.309 0.003 . 1 . . 334 . . 72 GLU H . 50143 1 260 . 1 . 1 72 72 GLU CA C 13 58.644 0.027 . 1 . . 336 . . 72 GLU CA . 50143 1 261 . 1 . 1 72 72 GLU CB C 13 29.595 0.007 . 1 . . 337 . . 72 GLU CB . 50143 1 262 . 1 . 1 72 72 GLU N N 15 118.494 0.018 . 1 . . 335 . . 72 GLU N . 50143 1 263 . 1 . 1 73 73 ASN H H 1 7.799 0.001 . 1 . . 338 . . 73 ASN H . 50143 1 264 . 1 . 1 73 73 ASN CA C 13 52.701 0.044 . 1 . . 340 . . 73 ASN CA . 50143 1 265 . 1 . 1 73 73 ASN CB C 13 38.753 0.021 . 1 . . 341 . . 73 ASN CB . 50143 1 266 . 1 . 1 73 73 ASN N N 15 114.702 0.005 . 1 . . 339 . . 73 ASN N . 50143 1 267 . 1 . 1 74 74 ASN H H 1 7.739 0.001 . 1 . . 342 . . 74 ASN H . 50143 1 268 . 1 . 1 74 74 ASN CA C 13 54.369 0.072 . 1 . . 344 . . 74 ASN CA . 50143 1 269 . 1 . 1 74 74 ASN CB C 13 35.943 0.022 . 1 . . 345 . . 74 ASN CB . 50143 1 270 . 1 . 1 74 74 ASN N N 15 116.350 0.006 . 1 . . 343 . . 74 ASN N . 50143 1 271 . 1 . 1 75 75 TYR H H 1 8.475 0.002 . 1 . . 346 . . 75 TYR H . 50143 1 272 . 1 . 1 75 75 TYR CA C 13 60.318 0.002 . 1 . . 348 . . 75 TYR CA . 50143 1 273 . 1 . 1 75 75 TYR CB C 13 40.856 0.005 . 1 . . 349 . . 75 TYR CB . 50143 1 274 . 1 . 1 75 75 TYR N N 15 115.841 0.02 . 1 . . 347 . . 75 TYR N . 50143 1 275 . 1 . 1 76 76 TYR H H 1 8.022 0.002 . 1 . . 350 . . 76 TYR H . 50143 1 276 . 1 . 1 76 76 TYR CA C 13 57.661 0.056 . 1 . . 352 . . 76 TYR CA . 50143 1 277 . 1 . 1 76 76 TYR CB C 13 38.963 0.001 . 1 . . 353 . . 76 TYR CB . 50143 1 278 . 1 . 1 76 76 TYR N N 15 115.466 0.027 . 1 . . 351 . . 76 TYR N . 50143 1 279 . 1 . 1 77 77 TRP H H 1 9.629 0.001 . 1 . . 311 . . 77 TRP H . 50143 1 280 . 1 . 1 77 77 TRP CA C 13 58.555 0.036 . 1 . . 313 . . 77 TRP CA . 50143 1 281 . 1 . 1 77 77 TRP CB C 13 30.652 0.05 . 1 . . 354 . . 77 TRP CB . 50143 1 282 . 1 . 1 77 77 TRP N N 15 121.888 0.026 . 1 . . 312 . . 77 TRP N . 50143 1 283 . 1 . 1 78 78 ALA H H 1 7.679 0.001 . 1 . . 307 . . 78 ALA H . 50143 1 284 . 1 . 1 78 78 ALA CA C 13 50.187 0.012 . 1 . . 309 . . 78 ALA CA . 50143 1 285 . 1 . 1 78 78 ALA CB C 13 23.506 0.029 . 1 . . 310 . . 78 ALA CB . 50143 1 286 . 1 . 1 78 78 ALA N N 15 117.374 0.014 . 1 . . 308 . . 78 ALA N . 50143 1 287 . 1 . 1 79 79 ALA H H 1 10.708 0.001 . 1 . . 303 . . 79 ALA H . 50143 1 288 . 1 . 1 79 79 ALA CA C 13 55.396 0.017 . 1 . . 305 . . 79 ALA CA . 50143 1 289 . 1 . 1 79 79 ALA CB C 13 19.247 0.042 . 1 . . 306 . . 79 ALA CB . 50143 1 290 . 1 . 1 79 79 ALA N N 15 128.121 0.025 . 1 . . 304 . . 79 ALA N . 50143 1 291 . 1 . 1 80 80 SER H H 1 9.444 0.001 . 1 . . 300 . . 80 SER H . 50143 1 292 . 1 . 1 80 80 SER CA C 13 61.506 0.044 . 1 . . 302 . . 80 SER CA . 50143 1 293 . 1 . 1 80 80 SER N N 15 114.656 0.015 . 1 . . 301 . . 80 SER N . 50143 1 294 . 1 . 1 81 81 GLU H H 1 7.615 0.0 . 1 . . 296 . . 81 GLU H . 50143 1 295 . 1 . 1 81 81 GLU CA C 13 58.671 0.006 . 1 . . 298 . . 81 GLU CA . 50143 1 296 . 1 . 1 81 81 GLU CB C 13 32.053 0.009 . 1 . . 299 . . 81 GLU CB . 50143 1 297 . 1 . 1 81 81 GLU N N 15 122.182 0.013 . 1 . . 297 . . 81 GLU N . 50143 1 298 . 1 . 1 82 82 CYS H H 1 6.646 0.001 . 1 . . 292 . . 82 CYS H . 50143 1 299 . 1 . 1 82 82 CYS CA C 13 61.682 0.007 . 1 . . 294 . . 82 CYS CA . 50143 1 300 . 1 . 1 82 82 CYS CB C 13 26.140 0.032 . 1 . . 295 . . 82 CYS CB . 50143 1 301 . 1 . 1 82 82 CYS N N 15 120.721 0.006 . 1 . . 293 . . 82 CYS N . 50143 1 302 . 1 . 1 83 83 MET H H 1 8.679 0.001 . 1 . . 288 . . 83 MET H . 50143 1 303 . 1 . 1 83 83 MET CA C 13 59.719 0.021 . 1 . . 290 . . 83 MET CA . 50143 1 304 . 1 . 1 83 83 MET CB C 13 31.958 0.077 . 1 . . 291 . . 83 MET CB . 50143 1 305 . 1 . 1 83 83 MET N N 15 117.590 0.018 . 1 . . 289 . . 83 MET N . 50143 1 306 . 1 . 1 84 84 GLN H H 1 7.981 0.003 . 1 . . 284 . . 84 GLN H . 50143 1 307 . 1 . 1 84 84 GLN CA C 13 59.081 0.012 . 1 . . 286 . . 84 GLN CA . 50143 1 308 . 1 . 1 84 84 GLN CB C 13 28.207 0.041 . 1 . . 287 . . 84 GLN CB . 50143 1 309 . 1 . 1 84 84 GLN N N 15 118.595 0.022 . 1 . . 285 . . 84 GLN N . 50143 1 310 . 1 . 1 85 85 ASP H H 1 7.482 0.001 . 1 . . 280 . . 85 ASP H . 50143 1 311 . 1 . 1 85 85 ASP CA C 13 58.635 0.028 . 1 . . 282 . . 85 ASP CA . 50143 1 312 . 1 . 1 85 85 ASP CB C 13 39.764 0.022 . 1 . . 283 . . 85 ASP CB . 50143 1 313 . 1 . 1 85 85 ASP N N 15 121.978 0.02 . 1 . . 281 . . 85 ASP N . 50143 1 314 . 1 . 1 86 86 PHE H H 1 8.133 0.002 . 1 . . 276 . . 86 PHE H . 50143 1 315 . 1 . 1 86 86 PHE CA C 13 63.527 0.003 . 1 . . 278 . . 86 PHE CA . 50143 1 316 . 1 . 1 86 86 PHE CB C 13 39.342 0.072 . 1 . . 279 . . 86 PHE CB . 50143 1 317 . 1 . 1 86 86 PHE N N 15 119.200 0.029 . 1 . . 277 . . 86 PHE N . 50143 1 318 . 1 . 1 87 87 ASN H H 1 8.254 0.001 . 1 . . 272 . . 87 ASN H . 50143 1 319 . 1 . 1 87 87 ASN CA C 13 57.389 0.061 . 1 . . 274 . . 87 ASN CA . 50143 1 320 . 1 . 1 87 87 ASN CB C 13 38.940 0.007 . 1 . . 275 . . 87 ASN CB . 50143 1 321 . 1 . 1 87 87 ASN N N 15 115.667 0.021 . 1 . . 273 . . 87 ASN N . 50143 1 322 . 1 . 1 88 88 THR H H 1 9.103 0.001 . 1 . . 146 . . 88 THR H . 50143 1 323 . 1 . 1 88 88 THR CA C 13 66.622 0.019 . 1 . . 148 . . 88 THR CA . 50143 1 324 . 1 . 1 88 88 THR CB C 13 68.850 0.014 . 1 . . 149 . . 88 THR CB . 50143 1 325 . 1 . 1 88 88 THR N N 15 121.294 0.009 . 1 . . 147 . . 88 THR N . 50143 1 326 . 1 . 1 89 89 MET H H 1 7.669 0.001 . 1 . . 150 . . 89 MET H . 50143 1 327 . 1 . 1 89 89 MET CA C 13 60.141 0.053 . 1 . . 152 . . 89 MET CA . 50143 1 328 . 1 . 1 89 89 MET CB C 13 33.628 0.081 . 1 . . 153 . . 89 MET CB . 50143 1 329 . 1 . 1 89 89 MET N N 15 120.080 0.02 . 1 . . 151 . . 89 MET N . 50143 1 330 . 1 . 1 90 90 PHE H H 1 7.804 0.002 . 1 . . 154 . . 90 PHE H . 50143 1 331 . 1 . 1 90 90 PHE CA C 13 61.385 0.029 . 1 . . 156 . . 90 PHE CA . 50143 1 332 . 1 . 1 90 90 PHE CB C 13 37.991 0.053 . 1 . . 157 . . 90 PHE CB . 50143 1 333 . 1 . 1 90 90 PHE N N 15 116.553 0.016 . 1 . . 155 . . 90 PHE N . 50143 1 334 . 1 . 1 91 91 THR H H 1 8.625 0.001 . 1 . . 158 . . 91 THR H . 50143 1 335 . 1 . 1 91 91 THR CA C 13 66.989 0.021 . 1 . . 160 . . 91 THR CA . 50143 1 336 . 1 . 1 91 91 THR CB C 13 69.011 0.033 . 1 . . 161 . . 91 THR CB . 50143 1 337 . 1 . 1 91 91 THR N N 15 112.289 0.007 . 1 . . 159 . . 91 THR N . 50143 1 338 . 1 . 1 92 92 ASN H H 1 8.741 0.001 . 1 . . 162 . . 92 ASN H . 50143 1 339 . 1 . 1 92 92 ASN CA C 13 55.192 0.054 . 1 . . 164 . . 92 ASN CA . 50143 1 340 . 1 . 1 92 92 ASN CB C 13 38.111 0.013 . 1 . . 165 . . 92 ASN CB . 50143 1 341 . 1 . 1 92 92 ASN N N 15 119.386 0.021 . 1 . . 163 . . 92 ASN N . 50143 1 342 . 1 . 1 93 93 CYS H H 1 6.981 0.002 . 1 . . 166 . . 93 CYS H . 50143 1 343 . 1 . 1 93 93 CYS CA C 13 62.196 0.022 . 1 . . 168 . . 93 CYS CA . 50143 1 344 . 1 . 1 93 93 CYS CB C 13 25.967 0.057 . 1 . . 169 . . 93 CYS CB . 50143 1 345 . 1 . 1 93 93 CYS N N 15 118.208 0.008 . 1 . . 167 . . 93 CYS N . 50143 1 346 . 1 . 1 94 94 TYR H H 1 7.540 0.001 . 1 . . 170 . . 94 TYR H . 50143 1 347 . 1 . 1 94 94 TYR CA C 13 56.707 0.015 . 1 . . 172 . . 94 TYR CA . 50143 1 348 . 1 . 1 94 94 TYR CB C 13 36.313 0.047 . 1 . . 173 . . 94 TYR CB . 50143 1 349 . 1 . 1 94 94 TYR N N 15 118.238 0.014 . 1 . . 171 . . 94 TYR N . 50143 1 350 . 1 . 1 95 95 ILE H H 1 8.660 0.002 . 1 . . 174 . . 95 ILE H . 50143 1 351 . 1 . 1 95 95 ILE CA C 13 63.683 0.071 . 1 . . 176 . . 95 ILE CA . 50143 1 352 . 1 . 1 95 95 ILE CB C 13 38.664 0.061 . 1 . . 177 . . 95 ILE CB . 50143 1 353 . 1 . 1 95 95 ILE N N 15 116.868 0.011 . 1 . . 175 . . 95 ILE N . 50143 1 354 . 1 . 1 96 96 TYR H H 1 7.984 0.002 . 1 . . 178 . . 96 TYR H . 50143 1 355 . 1 . 1 96 96 TYR CA C 13 61.905 0.017 . 1 . . 180 . . 96 TYR CA . 50143 1 356 . 1 . 1 96 96 TYR CB C 13 40.672 0.054 . 1 . . 181 . . 96 TYR CB . 50143 1 357 . 1 . 1 96 96 TYR N N 15 118.333 0.029 . 1 . . 179 . . 96 TYR N . 50143 1 358 . 1 . 1 97 97 ASN H H 1 7.674 0.001 . 1 . . 182 . . 97 ASN H . 50143 1 359 . 1 . 1 97 97 ASN CA C 13 53.686 0.012 . 1 . . 184 . . 97 ASN CA . 50143 1 360 . 1 . 1 97 97 ASN CB C 13 41.522 0.063 . 1 . . 185 . . 97 ASN CB . 50143 1 361 . 1 . 1 97 97 ASN N N 15 114.159 0.012 . 1 . . 183 . . 97 ASN N . 50143 1 362 . 1 . 1 98 98 LYS H H 1 8.600 0.001 . 1 . . 186 . . 98 LYS H . 50143 1 363 . 1 . 1 98 98 LYS CA C 13 54.771 . . 1 . . 188 . . 98 LYS CA . 50143 1 364 . 1 . 1 98 98 LYS CB C 13 31.810 . . 1 . . 189 . . 98 LYS CB . 50143 1 365 . 1 . 1 98 98 LYS N N 15 120.720 0.011 . 1 . . 187 . . 98 LYS N . 50143 1 366 . 1 . 1 99 99 PRO CA C 13 65.025 . . 1 . . 270 . . 99 PRO CA . 50143 1 367 . 1 . 1 99 99 PRO CB C 13 32.175 . . 1 . . 271 . . 99 PRO CB . 50143 1 368 . 1 . 1 100 100 THR H H 1 6.810 0.002 . 1 . . 266 . . 100 THR H . 50143 1 369 . 1 . 1 100 100 THR CA C 13 60.435 0.064 . 1 . . 268 . . 100 THR CA . 50143 1 370 . 1 . 1 100 100 THR CB C 13 69.072 0.002 . 1 . . 269 . . 100 THR CB . 50143 1 371 . 1 . 1 100 100 THR N N 15 128.950 0.013 . 1 . . 267 . . 100 THR N . 50143 1 372 . 1 . 1 101 101 ASP H H 1 7.934 0.002 . 1 . . 262 . . 101 ASP H . 50143 1 373 . 1 . 1 101 101 ASP CA C 13 55.110 0.009 . 1 . . 264 . . 101 ASP CA . 50143 1 374 . 1 . 1 101 101 ASP CB C 13 41.527 0.06 . 1 . . 265 . . 101 ASP CB . 50143 1 375 . 1 . 1 101 101 ASP N N 15 124.301 0.02 . 1 . . 263 . . 101 ASP N . 50143 1 376 . 1 . 1 102 102 ASP H H 1 8.927 0.002 . 1 . . 258 . . 102 ASP H . 50143 1 377 . 1 . 1 102 102 ASP CA C 13 57.816 0.022 . 1 . . 260 . . 102 ASP CA . 50143 1 378 . 1 . 1 102 102 ASP CB C 13 40.157 0.029 . 1 . . 261 . . 102 ASP CB . 50143 1 379 . 1 . 1 102 102 ASP N N 15 124.779 0.016 . 1 . . 259 . . 102 ASP N . 50143 1 380 . 1 . 1 103 103 ILE H H 1 8.712 0.001 . 1 . . 254 . . 103 ILE H . 50143 1 381 . 1 . 1 103 103 ILE CA C 13 63.827 0.028 . 1 . . 256 . . 103 ILE CA . 50143 1 382 . 1 . 1 103 103 ILE CB C 13 37.586 0.014 . 1 . . 257 . . 103 ILE CB . 50143 1 383 . 1 . 1 103 103 ILE N N 15 117.137 0.011 . 1 . . 255 . . 103 ILE N . 50143 1 384 . 1 . 1 104 104 VAL H H 1 7.094 0.001 . 1 . . 250 . . 104 VAL H . 50143 1 385 . 1 . 1 104 104 VAL CA C 13 67.102 0.014 . 1 . . 252 . . 104 VAL CA . 50143 1 386 . 1 . 1 104 104 VAL CB C 13 31.279 0.017 . 1 . . 253 . . 104 VAL CB . 50143 1 387 . 1 . 1 104 104 VAL N N 15 122.999 0.021 . 1 . . 251 . . 104 VAL N . 50143 1 388 . 1 . 1 105 105 LEU H H 1 7.185 0.001 . 1 . . 246 . . 105 LEU H . 50143 1 389 . 1 . 1 105 105 LEU CA C 13 58.070 0.005 . 1 . . 248 . . 105 LEU CA . 50143 1 390 . 1 . 1 105 105 LEU CB C 13 40.750 0.068 . 1 . . 249 . . 105 LEU CB . 50143 1 391 . 1 . 1 105 105 LEU N N 15 121.318 0.013 . 1 . . 247 . . 105 LEU N . 50143 1 392 . 1 . 1 106 106 MET H H 1 8.233 0.001 . 1 . . 242 . . 106 MET H . 50143 1 393 . 1 . 1 106 106 MET CA C 13 60.423 0.061 . 1 . . 244 . . 106 MET CA . 50143 1 394 . 1 . 1 106 106 MET CB C 13 33.785 0.013 . 1 . . 245 . . 106 MET CB . 50143 1 395 . 1 . 1 106 106 MET N N 15 120.228 0.021 . 1 . . 243 . . 106 MET N . 50143 1 396 . 1 . 1 107 107 ALA H H 1 8.649 0.002 . 1 . . 238 . . 107 ALA H . 50143 1 397 . 1 . 1 107 107 ALA CA C 13 56.050 0.046 . 1 . . 240 . . 107 ALA CA . 50143 1 398 . 1 . 1 107 107 ALA CB C 13 19.416 0.064 . 1 . . 241 . . 107 ALA CB . 50143 1 399 . 1 . 1 107 107 ALA N N 15 122.568 0.026 . 1 . . 239 . . 107 ALA N . 50143 1 400 . 1 . 1 108 108 GLN H H 1 9.020 0.001 . 1 . . 234 . . 108 GLN H . 50143 1 401 . 1 . 1 108 108 GLN CA C 13 58.798 0.054 . 1 . . 236 . . 108 GLN CA . 50143 1 402 . 1 . 1 108 108 GLN CB C 13 28.593 0.027 . 1 . . 237 . . 108 GLN CB . 50143 1 403 . 1 . 1 108 108 GLN N N 15 115.963 0.019 . 1 . . 235 . . 108 GLN N . 50143 1 404 . 1 . 1 109 109 THR H H 1 7.915 0.001 . 1 . . 230 . . 109 THR H . 50143 1 405 . 1 . 1 109 109 THR CA C 13 67.395 0.006 . 1 . . 232 . . 109 THR CA . 50143 1 406 . 1 . 1 109 109 THR CB C 13 69.061 0.016 . 1 . . 233 . . 109 THR CB . 50143 1 407 . 1 . 1 109 109 THR N N 15 117.242 0.014 . 1 . . 231 . . 109 THR N . 50143 1 408 . 1 . 1 110 110 LEU H H 1 7.947 0.002 . 1 . . 226 . . 110 LEU H . 50143 1 409 . 1 . 1 110 110 LEU CA C 13 57.851 0.007 . 1 . . 228 . . 110 LEU CA . 50143 1 410 . 1 . 1 110 110 LEU CB C 13 42.132 0.054 . 1 . . 229 . . 110 LEU CB . 50143 1 411 . 1 . 1 110 110 LEU N N 15 121.619 0.017 . 1 . . 227 . . 110 LEU N . 50143 1 412 . 1 . 1 111 111 GLU H H 1 9.017 0.001 . 1 . . 222 . . 111 GLU H . 50143 1 413 . 1 . 1 111 111 GLU CA C 13 59.332 0.071 . 1 . . 224 . . 111 GLU CA . 50143 1 414 . 1 . 1 111 111 GLU CB C 13 28.646 0.014 . 1 . . 225 . . 111 GLU CB . 50143 1 415 . 1 . 1 111 111 GLU N N 15 121.679 0.009 . 1 . . 223 . . 111 GLU N . 50143 1 416 . 1 . 1 112 112 LYS H H 1 7.649 0.001 . 1 . . 218 . . 112 LYS H . 50143 1 417 . 1 . 1 112 112 LYS CA C 13 60.206 0.038 . 1 . . 220 . . 112 LYS CA . 50143 1 418 . 1 . 1 112 112 LYS CB C 13 32.196 0.031 . 1 . . 221 . . 112 LYS CB . 50143 1 419 . 1 . 1 112 112 LYS N N 15 118.334 0.011 . 1 . . 219 . . 112 LYS N . 50143 1 420 . 1 . 1 113 113 ILE H H 1 7.418 0.002 . 1 . . 214 . . 113 ILE H . 50143 1 421 . 1 . 1 113 113 ILE CA C 13 65.046 0.062 . 1 . . 216 . . 113 ILE CA . 50143 1 422 . 1 . 1 113 113 ILE CB C 13 37.866 0.016 . 1 . . 217 . . 113 ILE CB . 50143 1 423 . 1 . 1 113 113 ILE N N 15 120.433 0.022 . 1 . . 215 . . 113 ILE N . 50143 1 424 . 1 . 1 114 114 PHE H H 1 8.719 0.001 . 1 . . 210 . . 114 PHE H . 50143 1 425 . 1 . 1 114 114 PHE CA C 13 61.881 0.006 . 1 . . 212 . . 114 PHE CA . 50143 1 426 . 1 . 1 114 114 PHE CB C 13 38.973 0.012 . 1 . . 213 . . 114 PHE CB . 50143 1 427 . 1 . 1 114 114 PHE N N 15 121.214 0.025 . 1 . . 211 . . 114 PHE N . 50143 1 428 . 1 . 1 115 115 LEU H H 1 8.768 0.001 . 1 . . 206 . . 115 LEU H . 50143 1 429 . 1 . 1 115 115 LEU CA C 13 57.704 0.062 . 1 . . 208 . . 115 LEU CA . 50143 1 430 . 1 . 1 115 115 LEU CB C 13 41.687 0.011 . 1 . . 209 . . 115 LEU CB . 50143 1 431 . 1 . 1 115 115 LEU N N 15 118.250 0.024 . 1 . . 207 . . 115 LEU N . 50143 1 432 . 1 . 1 116 116 GLN H H 1 8.020 0.002 . 1 . . 202 . . 116 GLN H . 50143 1 433 . 1 . 1 116 116 GLN CA C 13 59.001 0.03 . 1 . . 204 . . 116 GLN CA . 50143 1 434 . 1 . 1 116 116 GLN CB C 13 28.410 0.067 . 1 . . 205 . . 116 GLN CB . 50143 1 435 . 1 . 1 116 116 GLN N N 15 119.877 0.011 . 1 . . 203 . . 116 GLN N . 50143 1 436 . 1 . 1 117 117 LYS H H 1 8.531 0.002 . 1 . . 198 . . 117 LYS H . 50143 1 437 . 1 . 1 117 117 LYS CA C 13 57.551 0.033 . 1 . . 200 . . 117 LYS CA . 50143 1 438 . 1 . 1 117 117 LYS CB C 13 33.026 0.032 . 1 . . 201 . . 117 LYS CB . 50143 1 439 . 1 . 1 117 117 LYS N N 15 116.950 0.022 . 1 . . 199 . . 117 LYS N . 50143 1 440 . 1 . 1 118 118 VAL H H 1 8.876 0.001 . 1 . . 194 . . 118 VAL H . 50143 1 441 . 1 . 1 118 118 VAL CA C 13 66.280 0.028 . 1 . . 196 . . 118 VAL CA . 50143 1 442 . 1 . 1 118 118 VAL CB C 13 31.316 0.024 . 1 . . 197 . . 118 VAL CB . 50143 1 443 . 1 . 1 118 118 VAL N N 15 121.708 0.007 . 1 . . 195 . . 118 VAL N . 50143 1 444 . 1 . 1 119 119 ALA H H 1 7.340 0.001 . 1 . . 190 . . 119 ALA H . 50143 1 445 . 1 . 1 119 119 ALA CA C 13 54.682 0.059 . 1 . . 192 . . 119 ALA CA . 50143 1 446 . 1 . 1 119 119 ALA CB C 13 18.125 0.0 . 1 . . 193 . . 119 ALA CB . 50143 1 447 . 1 . 1 119 119 ALA N N 15 123.023 0.008 . 1 . . 191 . . 119 ALA N . 50143 1 448 . 1 . 1 120 120 SER H H 1 6.937 0.002 . 1 . . 138 . . 120 SER H . 50143 1 449 . 1 . 1 120 120 SER CA C 13 57.712 0.067 . 1 . . 140 . . 120 SER CA . 50143 1 450 . 1 . 1 120 120 SER CB C 13 63.835 0.029 . 1 . . 141 . . 120 SER CB . 50143 1 451 . 1 . 1 120 120 SER N N 15 109.600 0.015 . 1 . . 139 . . 120 SER N . 50143 1 452 . 1 . 1 121 121 MET H H 1 7.203 0.0 . 1 . . 142 . . 121 MET H . 50143 1 453 . 1 . 1 121 121 MET CA C 13 53.957 . . 1 . . 144 . . 121 MET CA . 50143 1 454 . 1 . 1 121 121 MET CB C 13 35.569 . . 1 . . 145 . . 121 MET CB . 50143 1 455 . 1 . 1 121 121 MET N N 15 123.064 0.013 . 1 . . 143 . . 121 MET N . 50143 1 456 . 1 . 1 122 122 PRO CA C 13 63.313 . . 1 . . 449 . . 122 PRO CA . 50143 1 457 . 1 . 1 122 122 PRO CB C 13 32.115 . . 1 . . 450 . . 122 PRO CB . 50143 1 458 . 1 . 1 123 123 GLN H H 1 8.491 0.001 . 1 . . 441 . . 123 GLN H . 50143 1 459 . 1 . 1 123 123 GLN CA C 13 58.101 0.025 . 1 . . 443 . . 123 GLN CA . 50143 1 460 . 1 . 1 123 123 GLN CB C 13 29.644 0.019 . 1 . . 444 . . 123 GLN CB . 50143 1 461 . 1 . 1 123 123 GLN N N 15 121.442 0.023 . 1 . . 442 . . 123 GLN N . 50143 1 462 . 1 . 1 124 124 GLU H H 1 7.989 0.001 . 1 . . 445 . . 124 GLU H . 50143 1 463 . 1 . 1 124 124 GLU CA C 13 54.758 0.005 . 1 . . 447 . . 124 GLU CA . 50143 1 464 . 1 . 1 124 124 GLU CB C 13 31.023 0.023 . 1 . . 448 . . 124 GLU CB . 50143 1 465 . 1 . 1 124 124 GLU N N 15 118.765 0.014 . 1 . . 446 . . 124 GLU N . 50143 1 466 . 1 . 1 125 125 GLU H H 1 8.912 0.001 . 1 . . 405 . . 125 GLU H . 50143 1 467 . 1 . 1 125 125 GLU CA C 13 57.005 0.011 . 1 . . 407 . . 125 GLU CA . 50143 1 468 . 1 . 1 125 125 GLU CB C 13 29.783 0.059 . 1 . . 408 . . 125 GLU CB . 50143 1 469 . 1 . 1 125 125 GLU N N 15 127.900 0.015 . 1 . . 406 . . 125 GLU N . 50143 1 470 . 1 . 1 126 126 GLN H H 1 8.716 0.001 . 1 . . 409 . . 126 GLN H . 50143 1 471 . 1 . 1 126 126 GLN CA C 13 53.995 0.021 . 1 . . 411 . . 126 GLN CA . 50143 1 472 . 1 . 1 126 126 GLN CB C 13 32.532 0.056 . 1 . . 412 . . 126 GLN CB . 50143 1 473 . 1 . 1 126 126 GLN N N 15 126.228 0.023 . 1 . . 410 . . 126 GLN N . 50143 1 474 . 1 . 1 127 127 GLU H H 1 8.983 0.001 . 1 . . 413 . . 127 GLU H . 50143 1 475 . 1 . 1 127 127 GLU CA C 13 57.259 0.02 . 1 . . 415 . . 127 GLU CA . 50143 1 476 . 1 . 1 127 127 GLU CB C 13 30.188 0.032 . 1 . . 416 . . 127 GLU CB . 50143 1 477 . 1 . 1 127 127 GLU N N 15 124.936 0.02 . 1 . . 414 . . 127 GLU N . 50143 1 478 . 1 . 1 128 128 LEU H H 1 8.184 0.002 . 1 . . 417 . . 128 LEU H . 50143 1 479 . 1 . 1 128 128 LEU CA C 13 54.359 0.043 . 1 . . 419 . . 128 LEU CA . 50143 1 480 . 1 . 1 128 128 LEU CB C 13 42.455 0.016 . 1 . . 420 . . 128 LEU CB . 50143 1 481 . 1 . 1 128 128 LEU N N 15 126.060 0.019 . 1 . . 418 . . 128 LEU N . 50143 1 482 . 1 . 1 129 129 VAL H H 1 8.224 0.001 . 1 . . 421 . . 129 VAL H . 50143 1 483 . 1 . 1 129 129 VAL CA C 13 62.152 0.004 . 1 . . 423 . . 129 VAL CA . 50143 1 484 . 1 . 1 129 129 VAL CB C 13 32.713 0.001 . 1 . . 424 . . 129 VAL CB . 50143 1 485 . 1 . 1 129 129 VAL N N 15 122.320 0.019 . 1 . . 422 . . 129 VAL N . 50143 1 486 . 1 . 1 130 130 VAL H H 1 8.361 0.001 . 1 . . 425 . . 130 VAL H . 50143 1 487 . 1 . 1 130 130 VAL CA C 13 62.074 0.068 . 1 . . 429 . . 130 VAL CA . 50143 1 488 . 1 . 1 130 130 VAL CB C 13 32.944 0.031 . 1 . . 430 . . 130 VAL CB . 50143 1 489 . 1 . 1 130 130 VAL N N 15 125.340 0.008 . 1 . . 426 . . 130 VAL N . 50143 1 490 . 1 . 1 131 131 THR H H 1 8.295 0.001 . 1 . . 387 . . 131 THR H . 50143 1 491 . 1 . 1 131 131 THR CA C 13 61.676 0.006 . 1 . . 389 . . 131 THR CA . 50143 1 492 . 1 . 1 131 131 THR CB C 13 69.891 0.005 . 1 . . 390 . . 131 THR CB . 50143 1 493 . 1 . 1 131 131 THR N N 15 119.691 0.012 . 1 . . 388 . . 131 THR N . 50143 1 494 . 1 . 1 132 132 ILE H H 1 8.284 0.0 . 1 . . 493 . . 132 ILE H . 50143 1 495 . 1 . 1 132 132 ILE CA C 13 58.564 . . 1 . . 495 . . 132 ILE CA . 50143 1 496 . 1 . 1 132 132 ILE CB C 13 38.700 . . 1 . . 496 . . 132 ILE CB . 50143 1 497 . 1 . 1 132 132 ILE N N 15 125.850 0.004 . 1 . . 494 . . 132 ILE N . 50143 1 498 . 1 . 1 133 133 PRO CA C 13 63.082 . . 1 . . 511 . . 133 PRO CA . 50143 1 499 . 1 . 1 133 133 PRO CB C 13 32.181 . . 1 . . 512 . . 133 PRO CB . 50143 1 500 . 1 . 1 134 134 LYS H H 1 8.388 0.001 . 1 . . 433 . . 134 LYS H . 50143 1 501 . 1 . 1 134 134 LYS CA C 13 56.238 0.014 . 1 . . 435 . . 134 LYS CA . 50143 1 502 . 1 . 1 134 134 LYS CB C 13 33.230 0.01 . 1 . . 436 . . 134 LYS CB . 50143 1 503 . 1 . 1 134 134 LYS N N 15 122.237 0.011 . 1 . . 434 . . 134 LYS N . 50143 1 504 . 1 . 1 135 135 ASN H H 1 8.008 0.001 . 1 . . 437 . . 135 ASN H . 50143 1 505 . 1 . 1 135 135 ASN CA C 13 54.755 . . 1 . . 439 . . 135 ASN CA . 50143 1 506 . 1 . 1 135 135 ASN CB C 13 40.512 . . 1 . . 440 . . 135 ASN CB . 50143 1 507 . 1 . 1 135 135 ASN N N 15 125.368 0.013 . 1 . . 438 . . 135 ASN N . 50143 1 stop_ save_