data_19364 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19364 _Entry.Title ; 1HN, 13C, and 15N Chemical Shift Assignments for Nupr1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-15 _Entry.Accession_date 2013-07-15 _Entry.Last_release_date 2014-02-13 _Entry.Original_release_date 2014-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 David Aguado-Llera . . . 19364 2 Tewfik Hamidi . . . 19364 3 Rosa Domenech . . . 19364 4 Meritxell Gironella . . . 19364 5 Adrian Velazquez-Campoy . . . 19364 6 'Jose L.' Neira . . . 19364 7 'Juan L.' Iovanna . . . 19364 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19364 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 19364 '15N chemical shifts' 86 19364 '1H chemical shifts' 78 19364 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 . . 2014-02-13 2013-07-15 original author . 19364 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19364 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24205110 _Citation.Full_citation . _Citation.Title 'Deciphering the binding between Nupr1 and MSL1 and their DNA-repairing activity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 8 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e78101 _Citation.Page_last e78101 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 David Aguado-Llera . . . 19364 1 2 Tewfik Hamidi . . . 19364 1 3 Rosa Domenech . . . 19364 1 4 David Pantoja-Uceda . . . 19364 1 5 Meritxell Gironella . . . 19364 1 6 Jorge Santoro . . . 19364 1 7 Adrian Velazquez-Campoy . . . 19364 1 8 Jose Neira . L. . 19364 1 9 Juan Iovanna . L. . 19364 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19364 _Assembly.ID 1 _Assembly.Name Nupr1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details Monomer _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 Nupr1 1 $Nupr1 A . yes 'intrinsically disordered' no no . . . 19364 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nupr1 _Entity.Sf_category entity _Entity.Sf_framecode Nupr1 _Entity.Entry_ID 19364 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nupr1 _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 ; MRGSHHHHHHGSATFPPATS APQQPPGPEDEDSSLDESDL YSLAHSYLGGGGRKGRTKRE AAANTNRPSPGGHERKLVTK LQNSERKKRGARR ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAG35071 . "unnamed protein product [Homo sapiens]" . . . . . 87.10 82 98.77 98.77 1.65e-48 . . . . 19364 1 2 no DBJ BAG73451 . "Nuclear protein 1 [synthetic construct]" . . . . . 87.10 82 100.00 100.00 3.18e-49 . . . . 19364 1 3 no EMBL CAG46941 . "P8 [Homo sapiens]" . . . . . 87.10 82 100.00 100.00 3.18e-49 . . . . 19364 1 4 no GB AAC05336 . "Gene product with similarity to Rat P8 [Homo sapiens]" . . . . . 87.10 82 100.00 100.00 3.18e-49 . . . . 19364 1 5 no GB AAC19384 . "P8 protein [Homo sapiens]" . . . . . 87.10 82 100.00 100.00 3.18e-49 . . . . 19364 1 6 no GB AAC19385 . "P8 protein [Homo sapiens]" . . . . . 87.10 82 100.00 100.00 3.18e-49 . . . . 19364 1 7 no GB AAD49221 . "p8 protein homolog [Homo sapiens]" . . . . . 87.10 82 100.00 100.00 3.18e-49 . . . . 19364 1 8 no GB AAH02434 . "Nuclear protein 1 [Homo sapiens]" . . . . . 87.10 82 100.00 100.00 3.18e-49 . . . . 19364 1 9 no REF NP_036517 . "nuclear protein 1 isoform b [Homo sapiens]" . . . . . 87.10 82 100.00 100.00 3.18e-49 . . . . 19364 1 10 no REF XP_003811192 . "PREDICTED: nuclear protein 1 [Pan paniscus]" . . . . . 87.10 82 98.77 98.77 4.94e-48 . . . . 19364 1 11 no REF XP_003916810 . "PREDICTED: nuclear protein 1 isoform X2 [Papio anubis]" . . . . . 86.02 82 97.50 98.75 4.31e-47 . . . . 19364 1 12 no REF XP_003952861 . "PREDICTED: nuclear protein 1 [Pan troglodytes]" . . . . . 87.10 82 97.53 98.77 2.01e-47 . . . . 19364 1 13 no REF XP_004057456 . "PREDICTED: nuclear protein 1 isoform 1 [Gorilla gorilla gorilla]" . . . . . 87.10 82 100.00 100.00 3.18e-49 . . . . 19364 1 14 no SP O60356 . "RecName: Full=Nuclear protein 1; AltName: Full=Candidate of metastasis 1; AltName: Full=Protein p8" . . . . . 87.10 82 100.00 100.00 3.18e-49 . . . . 19364 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -7 MET . 19364 1 2 -6 ARG . 19364 1 3 -5 GLY . 19364 1 4 -4 SER . 19364 1 5 -3 HIS . 19364 1 6 -2 HIS . 19364 1 7 -1 HIS . 19364 1 8 0 HIS . 19364 1 9 1 HIS . 19364 1 10 2 HIS . 19364 1 11 3 GLY . 19364 1 12 4 SER . 19364 1 13 5 ALA . 19364 1 14 6 THR . 19364 1 15 7 PHE . 19364 1 16 8 PRO . 19364 1 17 9 PRO . 19364 1 18 10 ALA . 19364 1 19 11 THR . 19364 1 20 12 SER . 19364 1 21 13 ALA . 19364 1 22 14 PRO . 19364 1 23 15 GLN . 19364 1 24 16 GLN . 19364 1 25 17 PRO . 19364 1 26 18 PRO . 19364 1 27 19 GLY . 19364 1 28 20 PRO . 19364 1 29 21 GLU . 19364 1 30 22 ASP . 19364 1 31 23 GLU . 19364 1 32 24 ASP . 19364 1 33 25 SER . 19364 1 34 26 SER . 19364 1 35 27 LEU . 19364 1 36 28 ASP . 19364 1 37 29 GLU . 19364 1 38 30 SER . 19364 1 39 31 ASP . 19364 1 40 32 LEU . 19364 1 41 33 TYR . 19364 1 42 34 SER . 19364 1 43 35 LEU . 19364 1 44 36 ALA . 19364 1 45 37 HIS . 19364 1 46 38 SER . 19364 1 47 39 TYR . 19364 1 48 40 LEU . 19364 1 49 41 GLY . 19364 1 50 42 GLY . 19364 1 51 43 GLY . 19364 1 52 44 GLY . 19364 1 53 45 ARG . 19364 1 54 46 LYS . 19364 1 55 47 GLY . 19364 1 56 48 ARG . 19364 1 57 49 THR . 19364 1 58 50 LYS . 19364 1 59 51 ARG . 19364 1 60 52 GLU . 19364 1 61 53 ALA . 19364 1 62 54 ALA . 19364 1 63 55 ALA . 19364 1 64 56 ASN . 19364 1 65 57 THR . 19364 1 66 58 ASN . 19364 1 67 59 ARG . 19364 1 68 60 PRO . 19364 1 69 61 SER . 19364 1 70 62 PRO . 19364 1 71 63 GLY . 19364 1 72 64 GLY . 19364 1 73 65 HIS . 19364 1 74 66 GLU . 19364 1 75 67 ARG . 19364 1 76 68 LYS . 19364 1 77 69 LEU . 19364 1 78 70 VAL . 19364 1 79 71 THR . 19364 1 80 72 LYS . 19364 1 81 73 LEU . 19364 1 82 74 GLN . 19364 1 83 75 ASN . 19364 1 84 76 SER . 19364 1 85 77 GLU . 19364 1 86 78 ARG . 19364 1 87 79 LYS . 19364 1 88 80 LYS . 19364 1 89 81 ARG . 19364 1 90 82 GLY . 19364 1 91 83 ALA . 19364 1 92 84 ARG . 19364 1 93 85 ARG . 19364 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 19364 1 . ARG 2 2 19364 1 . GLY 3 3 19364 1 . SER 4 4 19364 1 . HIS 5 5 19364 1 . HIS 6 6 19364 1 . HIS 7 7 19364 1 . HIS 8 8 19364 1 . HIS 9 9 19364 1 . HIS 10 10 19364 1 . GLY 11 11 19364 1 . SER 12 12 19364 1 . ALA 13 13 19364 1 . THR 14 14 19364 1 . PHE 15 15 19364 1 . PRO 16 16 19364 1 . PRO 17 17 19364 1 . ALA 18 18 19364 1 . THR 19 19 19364 1 . SER 20 20 19364 1 . ALA 21 21 19364 1 . PRO 22 22 19364 1 . GLN 23 23 19364 1 . GLN 24 24 19364 1 . PRO 25 25 19364 1 . PRO 26 26 19364 1 . GLY 27 27 19364 1 . PRO 28 28 19364 1 . GLU 29 29 19364 1 . ASP 30 30 19364 1 . GLU 31 31 19364 1 . ASP 32 32 19364 1 . SER 33 33 19364 1 . SER 34 34 19364 1 . LEU 35 35 19364 1 . ASP 36 36 19364 1 . GLU 37 37 19364 1 . SER 38 38 19364 1 . ASP 39 39 19364 1 . LEU 40 40 19364 1 . TYR 41 41 19364 1 . SER 42 42 19364 1 . LEU 43 43 19364 1 . ALA 44 44 19364 1 . HIS 45 45 19364 1 . SER 46 46 19364 1 . TYR 47 47 19364 1 . LEU 48 48 19364 1 . GLY 49 49 19364 1 . GLY 50 50 19364 1 . GLY 51 51 19364 1 . GLY 52 52 19364 1 . ARG 53 53 19364 1 . LYS 54 54 19364 1 . GLY 55 55 19364 1 . ARG 56 56 19364 1 . THR 57 57 19364 1 . LYS 58 58 19364 1 . ARG 59 59 19364 1 . GLU 60 60 19364 1 . ALA 61 61 19364 1 . ALA 62 62 19364 1 . ALA 63 63 19364 1 . ASN 64 64 19364 1 . THR 65 65 19364 1 . ASN 66 66 19364 1 . ARG 67 67 19364 1 . PRO 68 68 19364 1 . SER 69 69 19364 1 . PRO 70 70 19364 1 . GLY 71 71 19364 1 . GLY 72 72 19364 1 . HIS 73 73 19364 1 . GLU 74 74 19364 1 . ARG 75 75 19364 1 . LYS 76 76 19364 1 . LEU 77 77 19364 1 . VAL 78 78 19364 1 . THR 79 79 19364 1 . LYS 80 80 19364 1 . LEU 81 81 19364 1 . GLN 82 82 19364 1 . ASN 83 83 19364 1 . SER 84 84 19364 1 . GLU 85 85 19364 1 . ARG 86 86 19364 1 . LYS 87 87 19364 1 . LYS 88 88 19364 1 . ARG 89 89 19364 1 . GLY 90 90 19364 1 . ALA 91 91 19364 1 . ARG 92 92 19364 1 . ARG 93 93 19364 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 19364 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Nupr1 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . ; The expression vector pQE-30 (Qiagen) containing the hp8 sequence cloned in theBamHI-HindIII site of the vector was used to generate a fusion protein with an amino-terminal histidine tag (MRGSHHHHHHGS) to the hp8 sequence. The protein was overexpressed transforming M15 strains of Escherichia coli and inducing the expression with isopropyl-1-thio- -d-galactopyranoside. Bacterial crude extracts were incubated with a nickel-agarose resin (Qiagen), and the protein was eluted with a buffer containing 100 mmimidazol. ; . . 19364 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 19364 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Nupr1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE-30 . . . . . . 19364 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19364 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Nupr1 '[U-99% 13C; U-99% 15N]' . . 1 $Nupr1 . . 1.0 . . mM . . . . 19364 1 2 'acetate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 19364 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19364 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19364 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 19364 _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 4.5 . pH 19364 1 pressure 1 . atm 19364 1 temperature 298 . K 19364 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19364 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19364 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19364 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19364 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19364 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19364 2 processing 19364 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19364 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19364 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19364 3 'peak picking' 19364 3 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 19364 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe TCI' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19364 _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 . 800 'with cryoprobe TCI' . . 19364 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 19364 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 2 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 3 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 5 '3D HNCA intra' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 6 '3D HNCACB intra' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 7 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 8 '2D CACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 9 '2D CON' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 10 '2D 1H-15N HSQC b-carbon edited' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 11 '2D 1H-15N HSQC g-carbon edited' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 12 '2D 1H-15N HSQC b-carbon edited intra' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19364 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19364 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19364 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . . . . . 19364 1 H 1 water protons . . . . ppm 4.70 internal direct 0.000000000 . . . . . . . . . 19364 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . . . . . 19364 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 19364 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19364 1 2 '3D HNCO' . . . 19364 1 3 '3D HN(CA)CO' . . . 19364 1 4 '3D HNCA' . . . 19364 1 5 '3D HNCA intra' . . . 19364 1 6 '3D HNCACB intra' . . . 19364 1 7 '3D CBCA(CO)NH' . . . 19364 1 8 '2D CACO' . . . 19364 1 9 '2D CON' . . . 19364 1 10 '2D 1H-15N HSQC b-carbon edited' . . . 19364 1 11 '2D 1H-15N HSQC g-carbon edited' . . . 19364 1 12 '2D 1H-15N HSQC b-carbon edited intra' . . . 19364 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY H H 1 8.54 0.03 . 1 . . . . -5 G HN . 19364 1 2 . 1 1 3 3 GLY C C 13 173.73 0.30 . 1 . . . . -5 G CO . 19364 1 3 . 1 1 3 3 GLY CA C 13 45.21 0.30 . 1 . . . . -5 G CA . 19364 1 4 . 1 1 3 3 GLY N N 15 110.93 0.00 . 1 . . . . -5 G N . 19364 1 5 . 1 1 4 4 SER H H 1 8.13 0.03 . 1 . . . . -4 S HN . 19364 1 6 . 1 1 4 4 SER C C 13 174.51 0.30 . 1 . . . . -4 S CO . 19364 1 7 . 1 1 4 4 SER CA C 13 58.08 0.30 . 1 . . . . -4 S CA . 19364 1 8 . 1 1 4 4 SER CB C 13 64.11 0.30 . 1 . . . . -4 S CB . 19364 1 9 . 1 1 4 4 SER N N 15 115.03 0.00 . 1 . . . . -4 S N . 19364 1 10 . 1 1 5 5 HIS H H 1 8.53 0.03 . 1 . . . . -3 H HN . 19364 1 11 . 1 1 5 5 HIS C C 13 175.74 0.30 . 1 . . . . -3 H CO . 19364 1 12 . 1 1 5 5 HIS CA C 13 55.20 0.30 . 1 . . . . -3 H CA . 19364 1 13 . 1 1 5 5 HIS CB C 13 29.12 0.30 . 1 . . . . -3 H CB . 19364 1 14 . 1 1 5 5 HIS N N 15 120.25 0.00 . 1 . . . . -3 H N . 19364 1 15 . 1 1 11 11 GLY H H 1 8.47 0.03 . 1 . . . . 1 G HN . 19364 1 16 . 1 1 11 11 GLY C C 13 173.74 0.30 . 1 . . . . 1 G CO . 19364 1 17 . 1 1 11 11 GLY CA C 13 45.21 0.30 . 1 . . . . 1 G CA . 19364 1 18 . 1 1 11 11 GLY N N 15 110.94 0.00 . 1 . . . . 1 G N . 19364 1 19 . 1 1 12 12 SER H H 1 8.23 0.03 . 1 . . . . 2 S HN . 19364 1 20 . 1 1 12 12 SER C C 13 174.31 0.30 . 1 . . . . 2 S CO . 19364 1 21 . 1 1 12 12 SER CA C 13 58.27 0.30 . 1 . . . . 2 S CA . 19364 1 22 . 1 1 12 12 SER CB C 13 64.05 0.30 . 1 . . . . 2 S CB . 19364 1 23 . 1 1 12 12 SER N N 15 115.78 0.00 . 1 . . . . 2 S N . 19364 1 24 . 1 1 13 13 ALA H H 1 8.33 0.03 . 1 . . . . 3 A HN . 19364 1 25 . 1 1 13 13 ALA C C 13 177.42 0.30 . 1 . . . . 3 A CO . 19364 1 26 . 1 1 13 13 ALA CA C 13 52.49 0.30 . 1 . . . . 3 A CA . 19364 1 27 . 1 1 13 13 ALA CB C 13 19.20 0.30 . 1 . . . . 3 A CB . 19364 1 28 . 1 1 13 13 ALA N N 15 125.87 0.00 . 1 . . . . 3 A N . 19364 1 29 . 1 1 14 14 THR H H 1 7.91 0.03 . 1 . . . . 4 T HN . 19364 1 30 . 1 1 14 14 THR C C 13 173.75 0.30 . 1 . . . . 4 T CO . 19364 1 31 . 1 1 14 14 THR CA C 13 61.71 0.30 . 1 . . . . 4 T CA . 19364 1 32 . 1 1 14 14 THR CB C 13 70.14 0.30 . 1 . . . . 4 T CB . 19364 1 33 . 1 1 14 14 THR N N 15 113.19 0.00 . 1 . . . . 4 T N . 19364 1 34 . 1 1 15 15 PHE H H 1 8.08 0.03 . 1 . . . . 5 F HN . 19364 1 35 . 1 1 15 15 PHE C C 13 173.33 0.30 . 1 . . . . 5 F CO . 19364 1 36 . 1 1 15 15 PHE CA C 13 55.35 0.30 . 1 . . . . 5 F CA . 19364 1 37 . 1 1 15 15 PHE CB C 13 38.93 0.30 . 1 . . . . 5 F CB . 19364 1 38 . 1 1 15 15 PHE N N 15 122.88 0.00 . 1 . . . . 5 F N . 19364 1 39 . 1 1 16 16 PRO C C 13 174.59 0.30 . 1 . . . . 6 P CO . 19364 1 40 . 1 1 16 16 PRO CA C 13 61.43 0.30 . 1 . . . . 6 P CA . 19364 1 41 . 1 1 16 16 PRO CB C 13 30.67 0.30 . 1 . . . . 6 P CB . 19364 1 42 . 1 1 16 16 PRO N N 15 138.10 0.00 . 1 . . . . 6 P N . 19364 1 43 . 1 1 17 17 PRO C C 13 176.79 0.30 . 1 . . . . 7 P CO . 19364 1 44 . 1 1 17 17 PRO CA C 13 62.97 0.30 . 1 . . . . 7 P CA . 19364 1 45 . 1 1 17 17 PRO CB C 13 31.87 0.30 . 1 . . . . 7 P CB . 19364 1 46 . 1 1 17 17 PRO N N 15 135.12 0.00 . 1 . . . . 7 P N . 19364 1 47 . 1 1 18 18 ALA H H 1 8.39 0.03 . 1 . . . . 8 A HN . 19364 1 48 . 1 1 18 18 ALA C C 13 178.15 0.30 . 1 . . . . 8 A CO . 19364 1 49 . 1 1 18 18 ALA CA C 13 52.62 0.30 . 1 . . . . 8 A CA . 19364 1 50 . 1 1 18 18 ALA CB C 13 19.07 0.30 . 1 . . . . 8 A CB . 19364 1 51 . 1 1 18 18 ALA N N 15 123.96 0.00 . 1 . . . . 8 A N . 19364 1 52 . 1 1 19 19 THR H H 1 8.00 0.03 . 1 . . . . 9 T HN . 19364 1 53 . 1 1 19 19 THR C C 13 174.47 0.30 . 1 . . . . 9 T CO . 19364 1 54 . 1 1 19 19 THR CA C 13 61.72 0.30 . 1 . . . . 9 T CA . 19364 1 55 . 1 1 19 19 THR CB C 13 69.85 0.30 . 1 . . . . 9 T CB . 19364 1 56 . 1 1 19 19 THR N N 15 112.35 0.00 . 1 . . . . 9 T N . 19364 1 57 . 1 1 20 20 SER H H 1 8.14 0.03 . 1 . . . . 10 S HN . 19364 1 58 . 1 1 20 20 SER C C 13 173.54 0.30 . 1 . . . . 10 S CO . 19364 1 59 . 1 1 20 20 SER CA C 13 57.91 0.30 . 1 . . . . 10 S CA . 19364 1 60 . 1 1 20 20 SER CB C 13 63.91 0.30 . 1 . . . . 10 S CB . 19364 1 61 . 1 1 20 20 SER N N 15 117.30 0.00 . 1 . . . . 10 S N . 19364 1 62 . 1 1 21 21 ALA H H 1 8.12 0.03 . 1 . . . . 11 A HN . 19364 1 63 . 1 1 21 21 ALA C C 13 175.28 0.30 . 1 . . . . 11 A CO . 19364 1 64 . 1 1 21 21 ALA CA C 13 50.61 0.30 . 1 . . . . 11 A CA . 19364 1 65 . 1 1 21 21 ALA CB C 13 18.17 0.30 . 1 . . . . 11 A CB . 19364 1 66 . 1 1 21 21 ALA N N 15 126.75 0.00 . 1 . . . . 11 A N . 19364 1 67 . 1 1 22 22 PRO C C 13 176.90 0.30 . 1 . . . . 12 P CO . 19364 1 68 . 1 1 22 22 PRO CA C 13 63.17 0.30 . 1 . . . . 12 P CA . 19364 1 69 . 1 1 22 22 PRO CB C 13 31.81 0.30 . 1 . . . . 12 P CB . 19364 1 70 . 1 1 22 22 PRO N N 15 135.59 0.00 . 1 . . . . 12 P N . 19364 1 71 . 1 1 23 23 GLN H H 1 8.38 0.03 . 1 . . . . 13 Q HN . 19364 1 72 . 1 1 23 23 GLN C C 13 175.70 0.30 . 1 . . . . 13 Q CO . 19364 1 73 . 1 1 23 23 GLN CA C 13 55.80 0.30 . 1 . . . . 13 Q CA . 19364 1 74 . 1 1 23 23 GLN CB C 13 29.52 0.30 . 1 . . . . 13 Q CB . 19364 1 75 . 1 1 23 23 GLN N N 15 120.26 0.00 . 1 . . . . 13 Q N . 19364 1 76 . 1 1 24 24 GLN H H 1 8.26 0.03 . 1 . . . . 14 Q HN . 19364 1 77 . 1 1 24 24 GLN C C 13 173.41 0.30 . 1 . . . . 14 Q CO . 19364 1 78 . 1 1 24 24 GLN CA C 13 53.47 0.30 . 1 . . . . 14 Q CA . 19364 1 79 . 1 1 24 24 GLN CB C 13 28.81 0.30 . 1 . . . . 14 Q CB . 19364 1 80 . 1 1 24 24 GLN N N 15 122.44 0.00 . 1 . . . . 14 Q N . 19364 1 81 . 1 1 25 25 PRO C C 13 174.63 0.30 . 1 . . . . 15 P CO . 19364 1 82 . 1 1 25 25 PRO CA C 13 61.43 0.30 . 1 . . . . 15 P CA . 19364 1 83 . 1 1 25 25 PRO CB C 13 30.12 0.30 . 1 . . . . 15 P CB . 19364 1 84 . 1 1 25 25 PRO N N 15 138.60 0.00 . 1 . . . . 15 P N . 19364 1 85 . 1 1 26 26 PRO C C 13 177.10 0.30 . 1 . . . . 16 P CO . 19364 1 86 . 1 1 26 26 PRO CA C 13 63.15 0.30 . 1 . . . . 16 P CA . 19364 1 87 . 1 1 26 26 PRO CB C 13 32.00 0.30 . 1 . . . . 16 P CB . 19364 1 88 . 1 1 26 26 PRO N N 15 135.33 0.00 . 1 . . . . 16 P N . 19364 1 89 . 1 1 27 27 GLY H H 1 8.30 0.03 . 1 . . . . 17 G HN . 19364 1 90 . 1 1 27 27 GLY C C 13 177.11 0.30 . 1 . . . . 17 G CO . 19364 1 91 . 1 1 27 27 GLY CA C 13 44.34 0.30 . 1 . . . . 17 G CA . 19364 1 92 . 1 1 27 27 GLY N N 15 109.38 0.00 . 1 . . . . 17 G N . 19364 1 93 . 1 1 28 28 PRO C C 13 177.45 0.30 . 1 . . . . 18 P CO . 19364 1 94 . 1 1 28 28 PRO CA C 13 63.54 0.30 . 1 . . . . 18 P CA . 19364 1 95 . 1 1 28 28 PRO CB C 13 32.11 0.30 . 1 . . . . 18 P CB . 19364 1 96 . 1 1 28 28 PRO N N 15 134.14 0.00 . 1 . . . . 18 P N . 19364 1 97 . 1 1 29 29 GLU H H 1 8.59 0.03 . 1 . . . . 19 E HN . 19364 1 98 . 1 1 29 29 GLU C C 13 176.21 0.30 . 1 . . . . 19 E CO . 19364 1 99 . 1 1 29 29 GLU CA C 13 56.33 0.30 . 1 . . . . 19 E CA . 19364 1 100 . 1 1 29 29 GLU CB C 13 29.57 0.30 . 1 . . . . 19 E CB . 19364 1 101 . 1 1 29 29 GLU N N 15 119.94 0.00 . 1 . . . . 19 E N . 19364 1 102 . 1 1 30 30 ASP H H 1 8.12 0.03 . 1 . . . . 20 D HN . 19364 1 103 . 1 1 30 30 ASP C C 13 176.28 0.30 . 1 . . . . 20 D CO . 19364 1 104 . 1 1 30 30 ASP CA C 13 54.51 0.30 . 1 . . . . 20 D CA . 19364 1 105 . 1 1 30 30 ASP CB C 13 41.19 0.30 . 1 . . . . 20 D CB . 19364 1 106 . 1 1 30 30 ASP N N 15 120.57 0.00 . 1 . . . . 20 D N . 19364 1 107 . 1 1 31 31 GLU H H 1 8.21 0.03 . 1 . . . . 21 E HN . 19364 1 108 . 1 1 31 31 GLU C C 13 176.24 0.30 . 1 . . . . 21 E CO . 19364 1 109 . 1 1 31 31 GLU CA C 13 56.58 0.30 . 1 . . . . 21 E CA . 19364 1 110 . 1 1 31 31 GLU CB C 13 30.09 0.30 . 1 . . . . 21 E CB . 19364 1 111 . 1 1 31 31 GLU N N 15 120.77 0.00 . 1 . . . . 21 E N . 19364 1 112 . 1 1 32 32 ASP H H 1 8.33 0.03 . 1 . . . . 22 D HN . 19364 1 113 . 1 1 32 32 ASP C C 13 176.44 0.30 . 1 . . . . 22 D CO . 19364 1 114 . 1 1 32 32 ASP CA C 13 54.43 0.30 . 1 . . . . 22 D CA . 19364 1 115 . 1 1 32 32 ASP CB C 13 41.08 0.30 . 1 . . . . 22 D CB . 19364 1 116 . 1 1 32 32 ASP N N 15 121.01 0.00 . 1 . . . . 22 D N . 19364 1 117 . 1 1 33 33 SER H H 1 8.20 0.03 . 1 . . . . 23 S HN . 19364 1 118 . 1 1 33 33 SER C C 13 174.83 0.30 . 1 . . . . 23 S CO . 19364 1 119 . 1 1 33 33 SER CA C 13 58.78 0.30 . 1 . . . . 23 S CA . 19364 1 120 . 1 1 33 33 SER CB C 13 64.06 0.30 . 1 . . . . 23 S CB . 19364 1 121 . 1 1 33 33 SER N N 15 116.74 0.00 . 1 . . . . 23 S N . 19364 1 122 . 1 1 34 34 SER H H 1 8.30 0.03 . 1 . . . . 24 S HN . 19364 1 123 . 1 1 34 34 SER C C 13 174.56 0.30 . 1 . . . . 24 S CO . 19364 1 124 . 1 1 34 34 SER CA C 13 58.87 0.30 . 1 . . . . 24 S CA . 19364 1 125 . 1 1 34 34 SER CB C 13 63.87 0.30 . 1 . . . . 24 S CB . 19364 1 126 . 1 1 34 34 SER N N 15 117.75 0.00 . 1 . . . . 24 S N . 19364 1 127 . 1 1 35 35 LEU H H 1 8.01 0.03 . 1 . . . . 25 L HN . 19364 1 128 . 1 1 35 35 LEU C C 13 177.12 0.30 . 1 . . . . 25 L CO . 19364 1 129 . 1 1 35 35 LEU CA C 13 55.12 0.30 . 1 . . . . 25 L CA . 19364 1 130 . 1 1 35 35 LEU CB C 13 42.18 0.30 . 1 . . . . 25 L CB . 19364 1 131 . 1 1 35 35 LEU N N 15 123.22 0.00 . 1 . . . . 25 L N . 19364 1 132 . 1 1 36 36 ASP H H 1 8.24 0.03 . 1 . . . . 26 D HN . 19364 1 133 . 1 1 36 36 ASP C C 13 176.35 0.30 . 1 . . . . 26 D CO . 19364 1 134 . 1 1 36 36 ASP CA C 13 54.22 0.30 . 1 . . . . 26 D CA . 19364 1 135 . 1 1 36 36 ASP CB C 13 41.16 0.30 . 1 . . . . 26 D CB . 19364 1 136 . 1 1 36 36 ASP N N 15 120.87 0.00 . 1 . . . . 26 D N . 19364 1 137 . 1 1 37 37 GLU H H 1 8.33 0.03 . 1 . . . . 27 E HN . 19364 1 138 . 1 1 37 37 GLU C C 13 176.68 0.30 . 1 . . . . 27 E CO . 19364 1 139 . 1 1 37 37 GLU CA C 13 57.13 0.30 . 1 . . . . 27 E CA . 19364 1 140 . 1 1 37 37 GLU CB C 13 29.57 0.30 . 1 . . . . 27 E CB . 19364 1 141 . 1 1 37 37 GLU N N 15 121.29 0.00 . 1 . . . . 27 E N . 19364 1 142 . 1 1 38 38 SER H H 1 8.27 0.03 . 1 . . . . 28 S HN . 19364 1 143 . 1 1 38 38 SER C C 13 174.89 0.30 . 1 . . . . 28 S CO . 19364 1 144 . 1 1 38 38 SER CA C 13 59.47 0.30 . 1 . . . . 28 S CA . 19364 1 145 . 1 1 38 38 SER CB C 13 63.89 0.30 . 1 . . . . 28 S CB . 19364 1 146 . 1 1 38 38 SER N N 15 115.86 0.00 . 1 . . . . 28 S N . 19364 1 147 . 1 1 39 39 ASP H H 1 8.22 0.03 . 1 . . . . 29 D HN . 19364 1 148 . 1 1 39 39 ASP C C 13 176.69 0.30 . 1 . . . . 29 D CO . 19364 1 149 . 1 1 39 39 ASP CA C 13 54.81 0.30 . 1 . . . . 29 D CA . 19364 1 150 . 1 1 39 39 ASP CB C 13 40.94 0.30 . 1 . . . . 29 D CB . 19364 1 151 . 1 1 39 39 ASP N N 15 122.06 0.00 . 1 . . . . 29 D N . 19364 1 152 . 1 1 40 40 LEU H H 1 7.94 0.03 . 1 . . . . 30 L HN . 19364 1 153 . 1 1 40 40 LEU C C 13 178.01 0.30 . 1 . . . . 30 L CO . 19364 1 154 . 1 1 40 40 LEU CA C 13 56.36 0.30 . 1 . . . . 30 L CA . 19364 1 155 . 1 1 40 40 LEU CB C 13 41.89 0.30 . 1 . . . . 30 L CB . 19364 1 156 . 1 1 40 40 LEU N N 15 121.29 0.00 . 1 . . . . 30 L N . 19364 1 157 . 1 1 41 41 TYR H H 1 7.98 0.03 . 1 . . . . 31 Y HN . 19364 1 158 . 1 1 41 41 TYR C C 13 176.82 0.30 . 1 . . . . 31 Y CO . 19364 1 159 . 1 1 41 41 TYR CA C 13 58.87 0.30 . 1 . . . . 31 Y CA . 19364 1 160 . 1 1 41 41 TYR CB C 13 38.11 0.30 . 1 . . . . 31 Y CB . 19364 1 161 . 1 1 41 41 TYR N N 15 118.90 0.00 . 1 . . . . 31 Y N . 19364 1 162 . 1 1 42 42 SER H H 1 7.96 0.03 . 1 . . . . 32 S HN . 19364 1 163 . 1 1 42 42 SER C C 13 175.44 0.30 . 1 . . . . 32 S CO . 19364 1 164 . 1 1 42 42 SER CA C 13 59.44 0.30 . 1 . . . . 32 S CA . 19364 1 165 . 1 1 42 42 SER CB C 13 63.64 0.30 . 1 . . . . 32 S CB . 19364 1 166 . 1 1 42 42 SER N N 15 116.03 0.00 . 1 . . . . 32 S N . 19364 1 167 . 1 1 43 43 LEU H H 1 8.05 0.03 . 1 . . . . 33 L HN . 19364 1 168 . 1 1 43 43 LEU C C 13 177.84 0.30 . 1 . . . . 33 L CO . 19364 1 169 . 1 1 43 43 LEU CA C 13 56.21 0.30 . 1 . . . . 33 L CA . 19364 1 170 . 1 1 43 43 LEU CB C 13 41.99 0.30 . 1 . . . . 33 L CB . 19364 1 171 . 1 1 43 43 LEU N N 15 123.12 0.00 . 1 . . . . 33 L N . 19364 1 172 . 1 1 44 44 ALA H H 1 7.90 0.03 . 1 . . . . 34 A HN . 19364 1 173 . 1 1 44 44 ALA C C 13 177.89 0.30 . 1 . . . . 34 A CO . 19364 1 174 . 1 1 44 44 ALA CA C 13 52.89 0.30 . 1 . . . . 34 A CA . 19364 1 175 . 1 1 44 44 ALA CB C 13 18.80 0.30 . 1 . . . . 34 A CB . 19364 1 176 . 1 1 44 44 ALA N N 15 121.80 0.00 . 1 . . . . 34 A N . 19364 1 177 . 1 1 45 45 HIS H H 1 7.98 0.03 . 1 . . . . 35 H HN . 19364 1 178 . 1 1 45 45 HIS C C 13 174.50 0.30 . 1 . . . . 35 H CO . 19364 1 179 . 1 1 45 45 HIS CA C 13 55.43 0.30 . 1 . . . . 35 H CA . 19364 1 180 . 1 1 45 45 HIS CB C 13 28.50 0.30 . 1 . . . . 35 H CB . 19364 1 181 . 1 1 45 45 HIS N N 15 115.73 0.00 . 1 . . . . 35 H N . 19364 1 182 . 1 1 46 46 SER H H 1 7.99 0.03 . 1 . . . . 36 S HN . 19364 1 183 . 1 1 46 46 SER C C 13 174.44 0.30 . 1 . . . . 36 S CO . 19364 1 184 . 1 1 46 46 SER CA C 13 58.65 0.30 . 1 . . . . 36 S CA . 19364 1 185 . 1 1 46 46 SER CB C 13 63.91 0.30 . 1 . . . . 36 S CB . 19364 1 186 . 1 1 46 46 SER N N 15 115.84 0.00 . 1 . . . . 36 S N . 19364 1 187 . 1 1 47 47 TYR H H 1 8.12 0.03 . 1 . . . . 37 Y HN . 19364 1 188 . 1 1 47 47 TYR C C 13 175.96 0.30 . 1 . . . . 37 Y CO . 19364 1 189 . 1 1 47 47 TYR CA C 13 57.92 0.30 . 1 . . . . 37 Y CA . 19364 1 190 . 1 1 47 47 TYR CB C 13 38.15 0.30 . 1 . . . . 37 Y CB . 19364 1 191 . 1 1 47 47 TYR N N 15 121.95 0.00 . 1 . . . . 37 Y N . 19364 1 192 . 1 1 48 48 LEU H H 1 8.05 0.03 . 1 . . . . 38 L HN . 19364 1 193 . 1 1 48 48 LEU C C 13 177.67 0.30 . 1 . . . . 38 L CO . 19364 1 194 . 1 1 48 48 LEU CA C 13 55.25 0.30 . 1 . . . . 38 L CA . 19364 1 195 . 1 1 48 48 LEU CB C 13 41.99 0.30 . 1 . . . . 38 L CB . 19364 1 196 . 1 1 48 48 LEU N N 15 123.60 0.00 . 1 . . . . 38 L N . 19364 1 197 . 1 1 49 49 GLY H H 1 7.84 0.03 . 1 . . . . 39 G HN . 19364 1 198 . 1 1 49 49 GLY C C 13 174.71 0.30 . 1 . . . . 39 G CO . 19364 1 199 . 1 1 49 49 GLY CA C 13 45.51 0.30 . 1 . . . . 39 G CA . 19364 1 200 . 1 1 49 49 GLY N N 15 108.59 0.00 . 1 . . . . 39 G N . 19364 1 201 . 1 1 50 50 GLY H H 1 8.18 0.03 . 1 . . . . 40 G HN . 19364 1 202 . 1 1 50 50 GLY C C 13 174.81 0.30 . 1 . . . . 40 G CO . 19364 1 203 . 1 1 50 50 GLY CA C 13 45.43 0.30 . 1 . . . . 40 G CA . 19364 1 204 . 1 1 50 50 GLY N N 15 108.51 0.00 . 1 . . . . 40 G N . 19364 1 205 . 1 1 51 51 GLY H H 1 8.31 0.03 . 1 . . . . 41 G HN . 19364 1 206 . 1 1 51 51 GLY C C 13 174.83 0.30 . 1 . . . . 41 G CO . 19364 1 207 . 1 1 51 51 GLY CA C 13 45.45 0.30 . 1 . . . . 41 G CA . 19364 1 208 . 1 1 51 51 GLY N N 15 108.71 0.00 . 1 . . . . 41 G N . 19364 1 209 . 1 1 52 52 GLY H H 1 8.24 0.03 . 1 . . . . 42 G HN . 19364 1 210 . 1 1 52 52 GLY C C 13 174.26 0.30 . 1 . . . . 42 G CO . 19364 1 211 . 1 1 52 52 GLY CA C 13 45.09 0.30 . 1 . . . . 42 G CA . 19364 1 212 . 1 1 52 52 GLY N N 15 108.48 0.00 . 1 . . . . 42 G N . 19364 1 213 . 1 1 53 53 ARG H H 1 8.13 0.03 . 1 . . . . 43 R HN . 19364 1 214 . 1 1 53 53 ARG C C 13 176.40 0.30 . 1 . . . . 43 R CO . 19364 1 215 . 1 1 53 53 ARG CA C 13 56.22 0.30 . 1 . . . . 43 R CA . 19364 1 216 . 1 1 53 53 ARG CB C 13 30.59 0.30 . 1 . . . . 43 R CB . 19364 1 217 . 1 1 53 53 ARG N N 15 120.38 0.00 . 1 . . . . 43 R N . 19364 1 218 . 1 1 54 54 LYS H H 1 8.32 0.03 . 1 . . . . 44 K HN . 19364 1 219 . 1 1 54 54 LYS C C 13 176.87 0.30 . 1 . . . . 44 K CO . 19364 1 220 . 1 1 54 54 LYS CA C 13 56.46 0.30 . 1 . . . . 44 K CA . 19364 1 221 . 1 1 54 54 LYS CB C 13 32.79 0.30 . 1 . . . . 44 K CB . 19364 1 222 . 1 1 54 54 LYS N N 15 122.20 0.00 . 1 . . . . 44 K N . 19364 1 223 . 1 1 55 55 GLY H H 1 8.31 0.03 . 1 . . . . 45 G HN . 19364 1 224 . 1 1 55 55 GLY C C 13 173.94 0.30 . 1 . . . . 45 G CO . 19364 1 225 . 1 1 55 55 GLY CA C 13 45.06 0.30 . 1 . . . . 45 G CA . 19364 1 226 . 1 1 55 55 GLY N N 15 109.82 0.00 . 1 . . . . 45 G N . 19364 1 227 . 1 1 56 56 ARG H H 1 8.17 0.03 . 1 . . . . 46 R HN . 19364 1 228 . 1 1 56 56 ARG C C 13 176.49 0.30 . 1 . . . . 46 R CO . 19364 1 229 . 1 1 56 56 ARG CA C 13 56.15 0.30 . 1 . . . . 46 R CA . 19364 1 230 . 1 1 56 56 ARG CB C 13 30.79 0.30 . 1 . . . . 46 R CB . 19364 1 231 . 1 1 56 56 ARG N N 15 120.49 0.00 . 1 . . . . 46 R N . 19364 1 232 . 1 1 57 57 THR H H 1 8.18 0.03 . 1 . . . . 47 T HN . 19364 1 233 . 1 1 57 57 THR C C 13 174.47 0.30 . 1 . . . . 47 T CO . 19364 1 234 . 1 1 57 57 THR CA C 13 62.02 0.30 . 1 . . . . 47 T CA . 19364 1 235 . 1 1 57 57 THR CB C 13 70.19 0.30 . 1 . . . . 47 T CB . 19364 1 236 . 1 1 57 57 THR N N 15 115.61 0.00 . 1 . . . . 47 T N . 19364 1 237 . 1 1 58 58 LYS H H 1 8.34 0.03 . 1 . . . . 48 K HN . 19364 1 238 . 1 1 58 58 LYS C C 13 176.57 0.30 . 1 . . . . 48 K CO . 19364 1 239 . 1 1 58 58 LYS CA C 13 56.72 0.30 . 1 . . . . 48 K CA . 19364 1 240 . 1 1 58 58 LYS CB C 13 32.95 0.30 . 1 . . . . 48 K CB . 19364 1 241 . 1 1 58 58 LYS N N 15 123.92 0.00 . 1 . . . . 48 K N . 19364 1 242 . 1 1 59 59 ARG H H 1 8.32 0.03 . 1 . . . . 49 R HN . 19364 1 243 . 1 1 59 59 ARG C C 13 176.52 0.30 . 1 . . . . 49 R CO . 19364 1 244 . 1 1 59 59 ARG CA C 13 56.41 0.30 . 1 . . . . 49 R CA . 19364 1 245 . 1 1 59 59 ARG CB C 13 30.38 0.30 . 1 . . . . 49 R CB . 19364 1 246 . 1 1 59 59 ARG N N 15 122.75 0.00 . 1 . . . . 49 R N . 19364 1 247 . 1 1 60 60 GLU H H 1 8.36 0.03 . 1 . . . . 50 E HN . 19364 1 248 . 1 1 60 60 GLU C C 13 176.18 0.30 . 1 . . . . 50 E CO . 19364 1 249 . 1 1 60 60 GLU CA C 13 56.45 0.30 . 1 . . . . 50 E CA . 19364 1 250 . 1 1 60 60 GLU CB C 13 30.27 0.30 . 1 . . . . 50 E CB . 19364 1 251 . 1 1 60 60 GLU N N 15 122.48 0.00 . 1 . . . . 50 E N . 19364 1 252 . 1 1 61 61 ALA H H 1 8.27 0.03 . 1 . . . . 51 A HN . 19364 1 253 . 1 1 61 61 ALA C C 13 177.49 0.30 . 1 . . . . 51 A CO . 19364 1 254 . 1 1 61 61 ALA CA C 13 52.41 0.30 . 1 . . . . 51 A CA . 19364 1 255 . 1 1 61 61 ALA CB C 13 19.10 0.30 . 1 . . . . 51 A CB . 19364 1 256 . 1 1 61 61 ALA N N 15 125.16 0.00 . 1 . . . . 51 A N . 19364 1 257 . 1 1 62 62 ALA H H 1 8.15 0.03 . 1 . . . . 52 A HN . 19364 1 258 . 1 1 62 62 ALA C C 13 177.53 0.30 . 1 . . . . 52 A CO . 19364 1 259 . 1 1 62 62 ALA CA C 13 52.41 0.30 . 1 . . . . 52 A CA . 19364 1 260 . 1 1 62 62 ALA CB C 13 18.92 0.30 . 1 . . . . 52 A CB . 19364 1 261 . 1 1 62 62 ALA N N 15 123.12 0.00 . 1 . . . . 52 A N . 19364 1 262 . 1 1 63 63 ALA H H 1 8.14 0.03 . 1 . . . . 53 A HN . 19364 1 263 . 1 1 63 63 ALA C C 13 177.61 0.30 . 1 . . . . 53 A CO . 19364 1 264 . 1 1 63 63 ALA CA C 13 52.53 0.30 . 1 . . . . 53 A CA . 19364 1 265 . 1 1 63 63 ALA CB C 13 19.25 0.30 . 1 . . . . 53 A CB . 19364 1 266 . 1 1 63 63 ALA N N 15 122.91 0.00 . 1 . . . . 53 A N . 19364 1 267 . 1 1 64 64 ASN H H 1 8.30 0.03 . 1 . . . . 54 N HN . 19364 1 268 . 1 1 64 64 ASN C C 13 175.46 0.30 . 1 . . . . 54 N CO . 19364 1 269 . 1 1 64 64 ASN CA C 13 53.18 0.30 . 1 . . . . 54 N CA . 19364 1 270 . 1 1 64 64 ASN CB C 13 38.75 0.30 . 1 . . . . 54 N CB . 19364 1 271 . 1 1 64 64 ASN N N 15 117.67 0.00 . 1 . . . . 54 N N . 19364 1 272 . 1 1 65 65 THR H H 1 8.00 0.03 . 1 . . . . 55 T HN . 19364 1 273 . 1 1 65 65 THR C C 13 174.31 0.30 . 1 . . . . 55 T CO . 19364 1 274 . 1 1 65 65 THR CA C 13 62.01 0.30 . 1 . . . . 55 T CA . 19364 1 275 . 1 1 65 65 THR CB C 13 69.87 0.30 . 1 . . . . 55 T CB . 19364 1 276 . 1 1 65 65 THR N N 15 113.71 0.00 . 1 . . . . 55 T N . 19364 1 277 . 1 1 66 66 ASN H H 1 8.34 0.03 . 1 . . . . 56 N HN . 19364 1 278 . 1 1 66 66 ASN C C 13 174.63 0.30 . 1 . . . . 56 N CO . 19364 1 279 . 1 1 66 66 ASN CA C 13 53.21 0.30 . 1 . . . . 56 N CA . 19364 1 280 . 1 1 66 66 ASN CB C 13 38.78 0.30 . 1 . . . . 56 N CB . 19364 1 281 . 1 1 66 66 ASN N N 15 120.88 0.00 . 1 . . . . 56 N N . 19364 1 282 . 1 1 67 67 ARG H H 1 8.13 0.03 . 1 . . . . 57 R HN . 19364 1 283 . 1 1 67 67 ARG C C 13 173.91 0.30 . 1 . . . . 57 R CO . 19364 1 284 . 1 1 67 67 ARG CA C 13 53.96 0.30 . 1 . . . . 57 R CA . 19364 1 285 . 1 1 67 67 ARG CB C 13 30.02 0.30 . 1 . . . . 57 R CB . 19364 1 286 . 1 1 67 67 ARG N N 15 122.32 0.00 . 1 . . . . 57 R N . 19364 1 287 . 1 1 68 68 PRO C C 13 176.70 0.30 . 1 . . . . 58 P CO . 19364 1 288 . 1 1 68 68 PRO CA C 13 62.88 0.30 . 1 . . . . 58 P CA . 19364 1 289 . 1 1 68 68 PRO CB C 13 31.95 0.30 . 1 . . . . 58 P CB . 19364 1 290 . 1 1 68 68 PRO N N 15 137.03 0.00 . 1 . . . . 58 P N . 19364 1 291 . 1 1 69 69 SER H H 1 8.45 0.03 . 1 . . . . 59 S HN . 19364 1 292 . 1 1 69 69 SER C C 13 173.01 0.30 . 1 . . . . 59 S CO . 19364 1 293 . 1 1 69 69 SER CA C 13 56.44 0.30 . 1 . . . . 59 S CA . 19364 1 294 . 1 1 69 69 SER CB C 13 63.36 0.30 . 1 . . . . 59 S CB . 19364 1 295 . 1 1 69 69 SER N N 15 117.77 0.00 . 1 . . . . 59 S N . 19364 1 296 . 1 1 70 70 PRO C C 13 177.54 0.30 . 1 . . . . 60 P CO . 19364 1 297 . 1 1 70 70 PRO CA C 13 63.57 0.30 . 1 . . . . 60 P CA . 19364 1 298 . 1 1 70 70 PRO CB C 13 31.64 0.30 . 1 . . . . 60 P CB . 19364 1 299 . 1 1 70 70 PRO N N 15 138.27 0.00 . 1 . . . . 60 P N . 19364 1 300 . 1 1 71 71 GLY H H 1 8.38 0.03 . 1 . . . . 61 G HN . 19364 1 301 . 1 1 71 71 GLY C C 13 174.57 0.30 . 1 . . . . 61 G CO . 19364 1 302 . 1 1 71 71 GLY CA C 13 45.14 0.30 . 1 . . . . 61 G CA . 19364 1 303 . 1 1 71 71 GLY N N 15 109.11 0.00 . 1 . . . . 61 G N . 19364 1 304 . 1 1 72 72 GLY H H 1 8.20 0.03 . 1 . . . . 62 G HN . 19364 1 305 . 1 1 72 72 GLY C C 13 174.35 0.30 . 1 . . . . 62 G CO . 19364 1 306 . 1 1 72 72 GLY CA C 13 45.23 0.30 . 1 . . . . 62 G CA . 19364 1 307 . 1 1 72 72 GLY N N 15 108.40 0.00 . 1 . . . . 62 G N . 19364 1 308 . 1 1 73 73 HIS H H 1 8.36 0.03 . 1 . . . . 63 H HN . 19364 1 309 . 1 1 73 73 HIS C C 13 174.56 0.30 . 1 . . . . 63 H CO . 19364 1 310 . 1 1 73 73 HIS CA C 13 55.14 0.30 . 1 . . . . 63 H CA . 19364 1 311 . 1 1 73 73 HIS CB C 13 29.03 0.30 . 1 . . . . 63 H CB . 19364 1 312 . 1 1 73 73 HIS N N 15 117.94 0.00 . 1 . . . . 63 H N . 19364 1 313 . 1 1 74 74 GLU H H 1 8.52 0.03 . 1 . . . . 64 E HN . 19364 1 314 . 1 1 74 74 GLU C C 13 176.30 0.30 . 1 . . . . 64 E CO . 19364 1 315 . 1 1 74 74 GLU CA C 13 56.67 0.30 . 1 . . . . 64 E CA . 19364 1 316 . 1 1 74 74 GLU CB C 13 29.94 0.30 . 1 . . . . 64 E CB . 19364 1 317 . 1 1 74 74 GLU N N 15 121.93 0.00 . 1 . . . . 64 E N . 19364 1 318 . 1 1 75 75 ARG H H 1 8.37 0.03 . 1 . . . . 65 R HN . 19364 1 319 . 1 1 75 75 ARG C C 13 176.18 0.30 . 1 . . . . 65 R CO . 19364 1 320 . 1 1 75 75 ARG CA C 13 56.29 0.30 . 1 . . . . 65 R CA . 19364 1 321 . 1 1 75 75 ARG CB C 13 30.32 0.30 . 1 . . . . 65 R CB . 19364 1 322 . 1 1 75 75 ARG N N 15 122.85 0.00 . 1 . . . . 65 R N . 19364 1 323 . 1 1 76 76 LYS H H 1 8.30 0.03 . 1 . . . . 66 K HN . 19364 1 324 . 1 1 76 76 LYS C C 13 176.15 0.30 . 1 . . . . 66 K CO . 19364 1 325 . 1 1 76 76 LYS CA C 13 56.22 0.30 . 1 . . . . 66 K CA . 19364 1 326 . 1 1 76 76 LYS CB C 13 32.98 0.30 . 1 . . . . 66 K CB . 19364 1 327 . 1 1 76 76 LYS N N 15 123.25 0.00 . 1 . . . . 66 K N . 19364 1 328 . 1 1 77 77 LEU H H 1 8.24 0.03 . 1 . . . . 67 L HN . 19364 1 329 . 1 1 77 77 LEU C C 13 177.05 0.30 . 1 . . . . 67 L CO . 19364 1 330 . 1 1 77 77 LEU CA C 13 55.00 0.30 . 1 . . . . 67 L CA . 19364 1 331 . 1 1 77 77 LEU CB C 13 42.36 0.30 . 1 . . . . 67 L CB . 19364 1 332 . 1 1 77 77 LEU N N 15 124.40 0.00 . 1 . . . . 67 L N . 19364 1 333 . 1 1 78 78 VAL H H 1 8.15 0.03 . 1 . . . . 68 V HN . 19364 1 334 . 1 1 78 78 VAL C C 13 176.29 0.30 . 1 . . . . 68 V CO . 19364 1 335 . 1 1 78 78 VAL CA C 13 62.17 0.30 . 1 . . . . 68 V CA . 19364 1 336 . 1 1 78 78 VAL CB C 13 32.68 0.30 . 1 . . . . 68 V CB . 19364 1 337 . 1 1 78 78 VAL N N 15 122.30 0.00 . 1 . . . . 68 V N . 19364 1 338 . 1 1 79 79 THR H H 1 8.16 0.03 . 1 . . . . 69 T HN . 19364 1 339 . 1 1 79 79 THR C C 13 174.10 0.30 . 1 . . . . 69 T CO . 19364 1 340 . 1 1 79 79 THR CA C 13 61.99 0.30 . 1 . . . . 69 T CA . 19364 1 341 . 1 1 79 79 THR CB C 13 69.88 0.30 . 1 . . . . 69 T CB . 19364 1 342 . 1 1 79 79 THR N N 15 118.97 0.00 . 1 . . . . 69 T N . 19364 1 343 . 1 1 80 80 LYS H H 1 8.26 0.03 . 1 . . . . 70 K HN . 19364 1 344 . 1 1 80 80 LYS C C 13 176.31 0.30 . 1 . . . . 70 K CO . 19364 1 345 . 1 1 80 80 LYS CA C 13 56.39 0.30 . 1 . . . . 70 K CA . 19364 1 346 . 1 1 80 80 LYS CB C 13 33.22 0.30 . 1 . . . . 70 K CB . 19364 1 347 . 1 1 80 80 LYS N N 15 124.04 0.00 . 1 . . . . 70 K N . 19364 1 348 . 1 1 81 81 LEU H H 1 8.21 0.03 . 1 . . . . 71 L HN . 19364 1 349 . 1 1 81 81 LEU C C 13 177.36 0.30 . 1 . . . . 71 L CO . 19364 1 350 . 1 1 81 81 LEU CA C 13 55.23 0.30 . 1 . . . . 71 L CA . 19364 1 351 . 1 1 81 81 LEU CB C 13 42.34 0.30 . 1 . . . . 71 L CB . 19364 1 352 . 1 1 81 81 LEU N N 15 123.73 0.00 . 1 . . . . 71 L N . 19364 1 353 . 1 1 82 82 GLN H H 1 8.37 0.03 . 1 . . . . 72 Q HN . 19364 1 354 . 1 1 82 82 GLN C C 13 176.00 0.30 . 1 . . . . 72 Q CO . 19364 1 355 . 1 1 82 82 GLN CA C 13 56.00 0.30 . 1 . . . . 72 Q CA . 19364 1 356 . 1 1 82 82 GLN CB C 13 29.42 0.30 . 1 . . . . 72 Q CB . 19364 1 357 . 1 1 82 82 GLN N N 15 121.40 0.00 . 1 . . . . 72 Q N . 19364 1 358 . 1 1 83 83 ASN H H 1 8.45 0.03 . 1 . . . . 73 N HN . 19364 1 359 . 1 1 83 83 ASN C C 13 175.73 0.30 . 1 . . . . 73 N CO . 19364 1 360 . 1 1 83 83 ASN CA C 13 53.82 0.30 . 1 . . . . 73 N CA . 19364 1 361 . 1 1 83 83 ASN CB C 13 38.90 0.30 . 1 . . . . 73 N CB . 19364 1 362 . 1 1 83 83 ASN N N 15 120.14 0.00 . 1 . . . . 73 N N . 19364 1 363 . 1 1 84 84 SER H H 1 8.27 0.03 . 1 . . . . 74 S HN . 19364 1 364 . 1 1 84 84 SER C C 13 174.79 0.30 . 1 . . . . 74 S CO . 19364 1 365 . 1 1 84 84 SER CA C 13 58.95 0.30 . 1 . . . . 74 S CA . 19364 1 366 . 1 1 84 84 SER CB C 13 63.94 0.30 . 1 . . . . 74 S CB . 19364 1 367 . 1 1 84 84 SER N N 15 116.26 0.00 . 1 . . . . 74 S N . 19364 1 368 . 1 1 85 85 GLU H H 1 8.31 0.03 . 1 . . . . 75 E HN . 19364 1 369 . 1 1 85 85 GLU C C 13 176.60 0.30 . 1 . . . . 75 E CO . 19364 1 370 . 1 1 85 85 GLU CA C 13 56.96 0.30 . 1 . . . . 75 E CA . 19364 1 371 . 1 1 85 85 GLU CB C 13 30.05 0.30 . 1 . . . . 75 E CB . 19364 1 372 . 1 1 85 85 GLU N N 15 122.70 0.00 . 1 . . . . 75 E N . 19364 1 373 . 1 1 86 86 ARG H H 1 8.19 0.03 . 1 . . . . 76 R HN . 19364 1 374 . 1 1 86 86 ARG C C 13 176.66 0.30 . 1 . . . . 76 R CO . 19364 1 375 . 1 1 86 86 ARG CA C 13 56.51 0.30 . 1 . . . . 76 R CA . 19364 1 376 . 1 1 86 86 ARG CB C 13 30.38 0.30 . 1 . . . . 76 R CB . 19364 1 377 . 1 1 86 86 ARG N N 15 121.87 0.00 . 1 . . . . 76 R N . 19364 1 378 . 1 1 87 87 LYS H H 1 8.15 0.03 . 1 . . . . 77 K HN . 19364 1 379 . 1 1 87 87 LYS C C 13 176.58 0.30 . 1 . . . . 77 K CO . 19364 1 380 . 1 1 87 87 LYS CA C 13 56.50 0.30 . 1 . . . . 77 K CA . 19364 1 381 . 1 1 87 87 LYS CB C 13 32.91 0.30 . 1 . . . . 77 K CB . 19364 1 382 . 1 1 87 87 LYS N N 15 121.84 0.00 . 1 . . . . 77 K N . 19364 1 383 . 1 1 88 88 LYS H H 1 8.20 0.03 . 1 . . . . 78 K HN . 19364 1 384 . 1 1 88 88 LYS C C 13 176.67 0.30 . 1 . . . . 78 K CO . 19364 1 385 . 1 1 88 88 LYS CA C 13 56.33 0.30 . 1 . . . . 78 K CA . 19364 1 386 . 1 1 88 88 LYS CB C 13 32.80 0.30 . 1 . . . . 78 K CB . 19364 1 387 . 1 1 88 88 LYS N N 15 122.51 0.00 . 1 . . . . 78 K N . 19364 1 388 . 1 1 89 89 ARG H H 1 8.32 0.03 . 1 . . . . 79 R HN . 19364 1 389 . 1 1 89 89 ARG C C 13 176.63 0.30 . 1 . . . . 79 R CO . 19364 1 390 . 1 1 89 89 ARG CA C 13 56.34 0.30 . 1 . . . . 79 R CA . 19364 1 391 . 1 1 89 89 ARG CB C 13 30.44 0.30 . 1 . . . . 79 R CB . 19364 1 392 . 1 1 89 89 ARG N N 15 122.59 0.00 . 1 . . . . 79 R N . 19364 1 393 . 1 1 90 90 GLY H H 1 8.37 0.03 . 1 . . . . 80 G HN . 19364 1 394 . 1 1 90 90 GLY C C 13 173.61 0.30 . 1 . . . . 80 G CO . 19364 1 395 . 1 1 90 90 GLY CA C 13 45.27 0.30 . 1 . . . . 80 G CA . 19364 1 396 . 1 1 90 90 GLY N N 15 110.36 0.00 . 1 . . . . 80 G N . 19364 1 397 . 1 1 91 91 ALA H H 1 8.08 0.03 . 1 . . . . 81 A HN . 19364 1 398 . 1 1 91 91 ALA C C 13 177.48 0.30 . 1 . . . . 81 A CO . 19364 1 399 . 1 1 91 91 ALA CA C 13 52.56 0.30 . 1 . . . . 81 A CA . 19364 1 400 . 1 1 91 91 ALA CB C 13 19.56 0.30 . 1 . . . . 81 A CB . 19364 1 401 . 1 1 91 91 ALA N N 15 123.66 0.00 . 1 . . . . 81 A N . 19364 1 402 . 1 1 92 92 ARG H H 1 8.27 0.03 . 1 . . . . 82 R HN . 19364 1 403 . 1 1 92 92 ARG C C 13 175.25 0.30 . 1 . . . . 82 R CO . 19364 1 404 . 1 1 92 92 ARG CA C 13 56.13 0.30 . 1 . . . . 82 R CA . 19364 1 405 . 1 1 92 92 ARG CB C 13 30.49 0.30 . 1 . . . . 82 R CB . 19364 1 406 . 1 1 92 92 ARG N N 15 120.64 0.00 . 1 . . . . 82 R N . 19364 1 407 . 1 1 93 93 ARG H H 1 7.91 0.03 . 1 . . . . 83 R HN . 19364 1 408 . 1 1 93 93 ARG C C 13 180.79 0.30 . 1 . . . . 83 R CO . 19364 1 409 . 1 1 93 93 ARG CA C 13 57.43 0.30 . 1 . . . . 83 R CA . 19364 1 410 . 1 1 93 93 ARG CB C 13 31.43 0.30 . 1 . . . . 83 R CB . 19364 1 411 . 1 1 93 93 ARG N N 15 127.40 0.00 . 1 . . . . 83 R N . 19364 1 stop_ save_