data_18048 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18048 _Entry.Title ; NPM1_C70 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-09 _Entry.Accession_date 2011-11-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Lucia Banci . . . 18048 2 Ivano Bertini . . . 18048 3 Maurizio Brunori . . . 18048 4 Adele 'Di Matteo' . . . 18048 5 Luca Federici . . . 18048 6 Angelo Gallo . . . 18048 7 Carlo 'Lo Sterzo' . . . 18048 8 Mirko Mori . . . 18048 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18048 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CHROMOSOMAL REARRANGEMENT' . 18048 'NUCLEAR PROTEIN' . 18048 PROTO-ONCOGENE . 18048 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18048 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 276 18048 '15N chemical shifts' 73 18048 '1H chemical shifts' 241 18048 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-15 2011-11-09 update BMRB 'update entry citation' 18048 1 . . 2012-06-19 2011-11-09 original author 'original release' 18048 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LLH 'BMRB Entry Tracking System' 18048 PDB 2VXD . 18048 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18048 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22707729 _Citation.Full_citation . _Citation.Title 'Structure of nucleophosmin DNA-binding domain and analysis of its complex with a G-quadruplex sequence from the c-MYC promoter.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 32 _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 26539 _Citation.Page_last 26548 _Citation.Year 2012 _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 Angelo Gallo . . . 18048 1 2 Carlo 'Lo Sterzo' . . . 18048 1 3 Mirko Mori . . . 18048 1 4 Adele 'Di Matteo' . . . 18048 1 5 Ivano Bertini . . . 18048 1 6 Lucia Banci . . . 18048 1 7 Maurizio Brunori . . . 18048 1 8 Luca Federici . . . 18048 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18048 _Assembly.ID 1 _Assembly.Name NPM1_C70 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic 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 NPM1_C70 1 $NPM1_C70 A . yes native no no . . . 18048 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NPM1_C70 _Entity.Sf_category entity _Entity.Sf_framecode NPM1_C70 _Entity.Entry_ID 18048 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; QESFKKQEKTPKTPKGPSSV EDIKAKMQASIEKGGSLPKV EAKFINYVKNCFRMTDQEAI QDLWQWRKSL ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8101.407 _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 PDB 2LLH . "Nmr Structure Of Npm1_c70" . . . . . 100.00 74 100.00 100.00 1.82e-42 . . . . 18048 1 2 no PDB 2VXD . "The Structure Of The C-terminal Domain Of Nucleophosmin" . . . . . 75.71 54 98.11 98.11 3.82e-29 . . . . 18048 1 3 no DBJ BAC25844 . "unnamed protein product [Mus musculus]" . . . . . 100.00 292 100.00 100.00 3.56e-41 . . . . 18048 1 4 no DBJ BAE22562 . "unnamed protein product [Mus musculus]" . . . . . 100.00 292 100.00 100.00 3.56e-41 . . . . 18048 1 5 no DBJ BAE26248 . "unnamed protein product [Mus musculus]" . . . . . 100.00 292 100.00 100.00 3.56e-41 . . . . 18048 1 6 no DBJ BAE26667 . "unnamed protein product [Mus musculus]" . . . . . 100.00 292 100.00 100.00 3.56e-41 . . . . 18048 1 7 no DBJ BAE32244 . "unnamed protein product [Mus musculus]" . . . . . 100.00 292 98.57 98.57 6.12e-40 . . . . 18048 1 8 no EMBL CAA34809 . "B23 nucleophosmin (280 AA) [Homo sapiens]" . . . . . 100.00 280 100.00 100.00 2.36e-41 . . . . 18048 1 9 no EMBL CAH90204 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 313 100.00 100.00 5.23e-41 . . . . 18048 1 10 no GB AAA36380 . "nucleophosmin [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 3.01e-41 . . . . 18048 1 11 no GB AAA36385 . "nucleolar protein B23 [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 3.01e-41 . . . . 18048 1 12 no GB AAA36473 . "nucleolar phosphoprotein B23, partial [Homo sapiens]" . . . . . 100.00 82 100.00 100.00 1.01e-42 . . . . 18048 1 13 no GB AAA36474 . "nucleolar phosphoprotein B23, partial [Homo sapiens]" . . . . . 100.00 82 100.00 100.00 2.58e-42 . . . . 18048 1 14 no GB AAA39801 . "nucleolar protein [Mus musculus]" . . . . . 100.00 292 100.00 100.00 3.56e-41 . . . . 18048 1 15 no REF NP_001030518 . "nucleophosmin [Bos taurus]" . . . . . 100.00 294 98.57 100.00 4.91e-41 . . . . 18048 1 16 no REF NP_001125077 . "nucleophosmin [Pongo abelii]" . . . . . 100.00 313 100.00 100.00 5.23e-41 . . . . 18048 1 17 no REF NP_001164790 . "nucleophosmin [Oryctolagus cuniculus]" . . . . . 100.00 313 98.57 100.00 1.35e-40 . . . . 18048 1 18 no REF NP_001238905 . "nucleophosmin [Pan troglodytes]" . . . . . 100.00 294 100.00 100.00 3.01e-41 . . . . 18048 1 19 no REF NP_001239100 . "nucleophosmin [Canis lupus familiaris]" . . . . . 100.00 294 100.00 100.00 2.70e-41 . . . . 18048 1 20 no SP P06748 . "RecName: Full=Nucleophosmin; Short=NPM; AltName: Full=Nucleolar phosphoprotein B23; AltName: Full=Nucleolar protein NO38; AltNa" . . . . . 100.00 294 100.00 100.00 3.01e-41 . . . . 18048 1 21 no SP P13084 . "RecName: Full=Nucleophosmin; Short=NPM; AltName: Full=Nucleolar phosphoprotein B23; AltName: Full=Nucleolar protein NO38; AltNa" . . . . . 100.00 292 100.00 100.00 3.56e-41 . . . . 18048 1 22 no SP Q3T160 . "RecName: Full=Nucleophosmin; Short=NPM" . . . . . 100.00 294 98.57 100.00 4.91e-41 . . . . 18048 1 23 no SP Q61937 . "RecName: Full=Nucleophosmin; Short=NPM; AltName: Full=Nucleolar phosphoprotein B23; AltName: Full=Nucleolar protein NO38; AltNa" . . . . . 100.00 292 100.00 100.00 3.56e-41 . . . . 18048 1 24 no TPG DAA18048 . "TPA: nucleophosmin [Bos taurus]" . . . . . 100.00 294 100.00 100.00 2.79e-41 . . . . 18048 1 25 no TPG DAA21326 . "TPA: nucleophosmin 1-like isoform 1 [Bos taurus]" . . . . . 100.00 290 97.14 97.14 3.06e-38 . . . . 18048 1 26 no TPG DAA21327 . "TPA: nucleophosmin 1-like isoform 2 [Bos taurus]" . . . . . 100.00 262 97.14 97.14 1.81e-38 . . . . 18048 1 27 no TPG DAA26330 . "TPA: nucleophosmin 1-like isoform 1 [Bos taurus]" . . . . . 100.00 294 100.00 100.00 2.79e-41 . . . . 18048 1 28 no TPG DAA26331 . "TPA: nucleophosmin 1-like isoform 2 [Bos taurus]" . . . . . 100.00 266 100.00 100.00 1.55e-41 . . . . 18048 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 1 GLN . 18048 1 2 2 GLU . 18048 1 3 3 SER . 18048 1 4 4 PHE . 18048 1 5 5 LYS . 18048 1 6 6 LYS . 18048 1 7 7 GLN . 18048 1 8 8 GLU . 18048 1 9 9 LYS . 18048 1 10 10 THR . 18048 1 11 11 PRO . 18048 1 12 12 LYS . 18048 1 13 13 THR . 18048 1 14 14 PRO . 18048 1 15 15 LYS . 18048 1 16 16 GLY . 18048 1 17 17 PRO . 18048 1 18 18 SER . 18048 1 19 19 SER . 18048 1 20 20 VAL . 18048 1 21 21 GLU . 18048 1 22 22 ASP . 18048 1 23 23 ILE . 18048 1 24 24 LYS . 18048 1 25 25 ALA . 18048 1 26 26 LYS . 18048 1 27 27 MET . 18048 1 28 28 GLN . 18048 1 29 29 ALA . 18048 1 30 30 SER . 18048 1 31 31 ILE . 18048 1 32 32 GLU . 18048 1 33 33 LYS . 18048 1 34 34 GLY . 18048 1 35 35 GLY . 18048 1 36 36 SER . 18048 1 37 37 LEU . 18048 1 38 38 PRO . 18048 1 39 39 LYS . 18048 1 40 40 VAL . 18048 1 41 41 GLU . 18048 1 42 42 ALA . 18048 1 43 43 LYS . 18048 1 44 44 PHE . 18048 1 45 45 ILE . 18048 1 46 46 ASN . 18048 1 47 47 TYR . 18048 1 48 48 VAL . 18048 1 49 49 LYS . 18048 1 50 50 ASN . 18048 1 51 51 CYS . 18048 1 52 52 PHE . 18048 1 53 53 ARG . 18048 1 54 54 MET . 18048 1 55 55 THR . 18048 1 56 56 ASP . 18048 1 57 57 GLN . 18048 1 58 58 GLU . 18048 1 59 59 ALA . 18048 1 60 60 ILE . 18048 1 61 61 GLN . 18048 1 62 62 ASP . 18048 1 63 63 LEU . 18048 1 64 64 TRP . 18048 1 65 65 GLN . 18048 1 66 66 TRP . 18048 1 67 67 ARG . 18048 1 68 68 LYS . 18048 1 69 69 SER . 18048 1 70 70 LEU . 18048 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 . GLN 1 1 18048 1 . GLU 2 2 18048 1 . SER 3 3 18048 1 . PHE 4 4 18048 1 . LYS 5 5 18048 1 . LYS 6 6 18048 1 . GLN 7 7 18048 1 . GLU 8 8 18048 1 . LYS 9 9 18048 1 . THR 10 10 18048 1 . PRO 11 11 18048 1 . LYS 12 12 18048 1 . THR 13 13 18048 1 . PRO 14 14 18048 1 . LYS 15 15 18048 1 . GLY 16 16 18048 1 . PRO 17 17 18048 1 . SER 18 18 18048 1 . SER 19 19 18048 1 . VAL 20 20 18048 1 . GLU 21 21 18048 1 . ASP 22 22 18048 1 . ILE 23 23 18048 1 . LYS 24 24 18048 1 . ALA 25 25 18048 1 . LYS 26 26 18048 1 . MET 27 27 18048 1 . GLN 28 28 18048 1 . ALA 29 29 18048 1 . SER 30 30 18048 1 . ILE 31 31 18048 1 . GLU 32 32 18048 1 . LYS 33 33 18048 1 . GLY 34 34 18048 1 . GLY 35 35 18048 1 . SER 36 36 18048 1 . LEU 37 37 18048 1 . PRO 38 38 18048 1 . LYS 39 39 18048 1 . VAL 40 40 18048 1 . GLU 41 41 18048 1 . ALA 42 42 18048 1 . LYS 43 43 18048 1 . PHE 44 44 18048 1 . ILE 45 45 18048 1 . ASN 46 46 18048 1 . TYR 47 47 18048 1 . VAL 48 48 18048 1 . LYS 49 49 18048 1 . ASN 50 50 18048 1 . CYS 51 51 18048 1 . PHE 52 52 18048 1 . ARG 53 53 18048 1 . MET 54 54 18048 1 . THR 55 55 18048 1 . ASP 56 56 18048 1 . GLN 57 57 18048 1 . GLU 58 58 18048 1 . ALA 59 59 18048 1 . ILE 60 60 18048 1 . GLN 61 61 18048 1 . ASP 62 62 18048 1 . LEU 63 63 18048 1 . TRP 64 64 18048 1 . GLN 65 65 18048 1 . TRP 66 66 18048 1 . ARG 67 67 18048 1 . LYS 68 68 18048 1 . SER 69 69 18048 1 . LEU 70 70 18048 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 18048 _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 $NPM1_C70 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18048 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 18048 _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 $NPM1_C70 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28+(a) . . . . . . 18048 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18048 _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 NPM1_C70 [U-15N] . . 1 $NPM1_C70 . . 0.5 . . mM . . . . 18048 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18048 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18048 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18048 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18048 _Sample.ID 2 _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 NPM1_C70 '[U-13C; U-15N]' . . 1 $NPM1_C70 . . 0.5 . . mM . . . . 18048 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18048 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18048 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18048 2 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 18048 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 18048 1 pH 7.2 . pH 18048 1 pressure 1 . atm 18048 1 temperature 298 . K 18048 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18048 _Software.ID 1 _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' . . 18048 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18048 1 processing 18048 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18048 _Software.ID 2 _Software.Name CARA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18048 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18048 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18048 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18048 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18048 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18048 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18048 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18048 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18048 _Software.ID 5 _Software.Name AMBER _Software.Version 11.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 18048 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18048 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18048 _Software.ID 6 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 18048 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 18048 6 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 18048 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18048 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18048 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18048 _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 . 900 . . . 18048 1 2 spectrometer_2 Bruker Avance . 700 . . . 18048 1 3 spectrometer_3 Bruker Avance . 500 . . . 18048 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 18048 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18048 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18048 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18048 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18048 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18048 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18048 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18048 1 8 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18048 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18048 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18048 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18048 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18048 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18048 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18048 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18048 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18048 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 18048 _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 5 '3D HNCACB' . . . 18048 1 9 '3D HCCH-TOCSY' . . . 18048 1 11 '3D 1H-13C NOESY' . . . 18048 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU H H 1 8.49 0.02 . 1 . . . A 2 GLU H . 18048 1 2 . 1 1 2 2 GLU HA H 1 4.13 0.02 . 1 . . . A 2 GLU HA . 18048 1 3 . 1 1 2 2 GLU C C 13 173.8 0.3 . 1 . . . A 2 GLU C . 18048 1 4 . 1 1 2 2 GLU CA C 13 54.1 0.3 . 1 . . . A 2 GLU CA . 18048 1 5 . 1 1 2 2 GLU CB C 13 27.3 0.3 . 1 . . . A 2 GLU CB . 18048 1 6 . 1 1 2 2 GLU CG C 13 33.4 0.3 . 1 . . . A 2 GLU CG . 18048 1 7 . 1 1 2 2 GLU N N 15 122.4 0.3 . 1 . . . A 2 GLU N . 18048 1 8 . 1 1 3 3 SER H H 1 8.21 0.02 . 1 . . . A 3 SER H . 18048 1 9 . 1 1 3 3 SER HA H 1 4.24 0.02 . 1 . . . A 3 SER HA . 18048 1 10 . 1 1 3 3 SER C C 13 171.5 0.3 . 1 . . . A 3 SER C . 18048 1 11 . 1 1 3 3 SER CA C 13 55.8 0.3 . 1 . . . A 3 SER CA . 18048 1 12 . 1 1 3 3 SER CB C 13 60.9 0.3 . 1 . . . A 3 SER CB . 18048 1 13 . 1 1 3 3 SER N N 15 116.3 0.3 . 1 . . . A 3 SER N . 18048 1 14 . 1 1 4 4 PHE H H 1 8.04 0.02 . 1 . . . A 4 PHE H . 18048 1 15 . 1 1 4 4 PHE HA H 1 4.48 0.02 . 1 . . . A 4 PHE HA . 18048 1 16 . 1 1 4 4 PHE HB2 H 1 3.02 0.02 . 2 . . . A 4 PHE HB2 . 18048 1 17 . 1 1 4 4 PHE HB3 H 1 2.92 0.02 . 2 . . . A 4 PHE HB3 . 18048 1 18 . 1 1 4 4 PHE C C 13 172.8 0.3 . 1 . . . A 4 PHE C . 18048 1 19 . 1 1 4 4 PHE CA C 13 55.0 0.3 . 1 . . . A 4 PHE CA . 18048 1 20 . 1 1 4 4 PHE CB C 13 36.5 0.3 . 1 . . . A 4 PHE CB . 18048 1 21 . 1 1 4 4 PHE N N 15 121.7 0.3 . 1 . . . A 4 PHE N . 18048 1 22 . 1 1 5 5 LYS H H 1 7.99 0.02 . 1 . . . A 5 LYS H . 18048 1 23 . 1 1 5 5 LYS HA H 1 4.12 0.02 . 1 . . . A 5 LYS HA . 18048 1 24 . 1 1 5 5 LYS C C 13 173.4 0.3 . 1 . . . A 5 LYS C . 18048 1 25 . 1 1 5 5 LYS CA C 13 53.4 0.3 . 1 . . . A 5 LYS CA . 18048 1 26 . 1 1 5 5 LYS CB C 13 30.1 0.3 . 1 . . . A 5 LYS CB . 18048 1 27 . 1 1 5 5 LYS CG C 13 21.9 0.3 . 1 . . . A 5 LYS CG . 18048 1 28 . 1 1 5 5 LYS CD C 13 26.3 0.3 . 1 . . . A 5 LYS CD . 18048 1 29 . 1 1 5 5 LYS CE C 13 39.3 0.3 . 1 . . . A 5 LYS CE . 18048 1 30 . 1 1 5 5 LYS N N 15 122.6 0.3 . 1 . . . A 5 LYS N . 18048 1 31 . 1 1 6 6 LYS H H 1 8.16 0.02 . 1 . . . A 6 LYS H . 18048 1 32 . 1 1 6 6 LYS C C 13 173.7 0.3 . 1 . . . A 6 LYS C . 18048 1 33 . 1 1 6 6 LYS CA C 13 53.7 0.3 . 1 . . . A 6 LYS CA . 18048 1 34 . 1 1 6 6 LYS N N 15 122.8 0.3 . 1 . . . A 6 LYS N . 18048 1 35 . 1 1 7 7 GLN H H 1 8.24 0.02 . 1 . . . A 7 GLN H . 18048 1 36 . 1 1 7 7 GLN HA H 1 4.53 0.02 . 1 . . . A 7 GLN HA . 18048 1 37 . 1 1 7 7 GLN HB2 H 1 3.05 0.02 . 2 . . . A 7 GLN HB2 . 18048 1 38 . 1 1 7 7 GLN HB3 H 1 2.99 0.02 . 2 . . . A 7 GLN HB3 . 18048 1 39 . 1 1 7 7 GLN C C 13 173.6 0.3 . 1 . . . A 7 GLN C . 18048 1 40 . 1 1 7 7 GLN CA C 13 53.7 0.3 . 1 . . . A 7 GLN CA . 18048 1 41 . 1 1 7 7 GLN CB C 13 27.3 0.3 . 1 . . . A 7 GLN CB . 18048 1 42 . 1 1 7 7 GLN N N 15 120.8 0.3 . 1 . . . A 7 GLN N . 18048 1 43 . 1 1 8 8 GLU H H 1 8.27 0.02 . 1 . . . A 8 GLU H . 18048 1 44 . 1 1 8 8 GLU HA H 1 4.20 0.02 . 1 . . . A 8 GLU HA . 18048 1 45 . 1 1 8 8 GLU C C 13 173.1 0.3 . 1 . . . A 8 GLU C . 18048 1 46 . 1 1 8 8 GLU CA C 13 52.9 0.3 . 1 . . . A 8 GLU CA . 18048 1 47 . 1 1 8 8 GLU CB C 13 27.6 0.3 . 1 . . . A 8 GLU CB . 18048 1 48 . 1 1 8 8 GLU N N 15 121.4 0.3 . 1 . . . A 8 GLU N . 18048 1 49 . 1 1 9 9 LYS H H 1 8.39 0.02 . 1 . . . A 9 LYS H . 18048 1 50 . 1 1 9 9 LYS HA H 1 4.24 0.02 . 1 . . . A 9 LYS HA . 18048 1 51 . 1 1 9 9 LYS C C 13 173.7 0.3 . 1 . . . A 9 LYS C . 18048 1 52 . 1 1 9 9 LYS CA C 13 53.5 0.3 . 1 . . . A 9 LYS CA . 18048 1 53 . 1 1 9 9 LYS CB C 13 30.1 0.3 . 1 . . . A 9 LYS CB . 18048 1 54 . 1 1 9 9 LYS CG C 13 21.9 0.3 . 1 . . . A 9 LYS CG . 18048 1 55 . 1 1 9 9 LYS CD C 13 26.2 0.3 . 1 . . . A 9 LYS CD . 18048 1 56 . 1 1 9 9 LYS CE C 13 39.2 0.3 . 1 . . . A 9 LYS CE . 18048 1 57 . 1 1 9 9 LYS N N 15 123.0 0.3 . 1 . . . A 9 LYS N . 18048 1 58 . 1 1 10 10 THR H H 1 8.14 0.02 . 1 . . . A 10 THR H . 18048 1 59 . 1 1 10 10 THR HA H 1 4.45 0.02 . 1 . . . A 10 THR HA . 18048 1 60 . 1 1 10 10 THR HB H 1 4.01 0.02 . 1 . . . A 10 THR HB . 18048 1 61 . 1 1 10 10 THR C C 13 170.0 0.3 . 1 . . . A 10 THR C . 18048 1 62 . 1 1 10 10 THR CA C 13 57.0 0.3 . 1 . . . A 10 THR CA . 18048 1 63 . 1 1 10 10 THR CB C 13 66.8 0.3 . 1 . . . A 10 THR CB . 18048 1 64 . 1 1 10 10 THR CG2 C 13 18.7 0.3 . 1 . . . A 10 THR CG2 . 18048 1 65 . 1 1 10 10 THR N N 15 117.9 0.3 . 1 . . . A 10 THR N . 18048 1 66 . 1 1 11 11 PRO HA H 1 4.31 0.02 . 1 . . . A 11 PRO HA . 18048 1 67 . 1 1 11 11 PRO HB2 H 1 1.85 0.02 . 2 . . . A 11 PRO HB2 . 18048 1 68 . 1 1 11 11 PRO HB3 H 1 1.80 0.02 . 2 . . . A 11 PRO HB3 . 18048 1 69 . 1 1 11 11 PRO HG2 H 1 1.93 0.02 . 2 . . . A 11 PRO HG2 . 18048 1 70 . 1 1 11 11 PRO HG3 H 1 1.87 0.02 . 2 . . . A 11 PRO HG3 . 18048 1 71 . 1 1 11 11 PRO C C 13 173.8 0.3 . 1 . . . A 11 PRO C . 18048 1 72 . 1 1 11 11 PRO CA C 13 60.4 0.3 . 1 . . . A 11 PRO CA . 18048 1 73 . 1 1 11 11 PRO CB C 13 29.3 0.3 . 1 . . . A 11 PRO CB . 18048 1 74 . 1 1 11 11 PRO CG C 13 24.5 0.3 . 1 . . . A 11 PRO CG . 18048 1 75 . 1 1 11 11 PRO CD C 13 48.3 0.3 . 1 . . . A 11 PRO CD . 18048 1 76 . 1 1 12 12 LYS H H 1 8.38 0.02 . 1 . . . A 12 LYS H . 18048 1 77 . 1 1 12 12 LYS HA H 1 4.21 0.02 . 1 . . . A 12 LYS HA . 18048 1 78 . 1 1 12 12 LYS CA C 13 53.5 0.3 . 1 . . . A 12 LYS CA . 18048 1 79 . 1 1 12 12 LYS CB C 13 30.2 0.3 . 1 . . . A 12 LYS CB . 18048 1 80 . 1 1 12 12 LYS CG C 13 21.9 0.3 . 1 . . . A 12 LYS CG . 18048 1 81 . 1 1 12 12 LYS CD C 13 26.2 0.3 . 1 . . . A 12 LYS CD . 18048 1 82 . 1 1 12 12 LYS CE C 13 39.3 0.3 . 1 . . . A 12 LYS CE . 18048 1 83 . 1 1 12 12 LYS N N 15 121.7 0.3 . 1 . . . A 12 LYS N . 18048 1 84 . 1 1 13 13 THR H H 1 7.94 0.02 . 1 . . . A 13 THR H . 18048 1 85 . 1 1 13 13 THR HA H 1 4.36 0.02 . 1 . . . A 13 THR HA . 18048 1 86 . 1 1 13 13 THR HB H 1 3.95 0.02 . 1 . . . A 13 THR HB . 18048 1 87 . 1 1 13 13 THR C C 13 169.8 0.3 . 1 . . . A 13 THR C . 18048 1 88 . 1 1 13 13 THR CA C 13 55.8 0.3 . 1 . . . A 13 THR CA . 18048 1 89 . 1 1 13 13 THR CB C 13 67.8 0.3 . 1 . . . A 13 THR CB . 18048 1 90 . 1 1 13 13 THR CG2 C 13 18.1 0.3 . 1 . . . A 13 THR CG2 . 18048 1 91 . 1 1 13 13 THR N N 15 115.6 0.3 . 1 . . . A 13 THR N . 18048 1 92 . 1 1 14 14 PRO HA H 1 4.39 0.02 . 1 . . . A 14 PRO HA . 18048 1 93 . 1 1 14 14 PRO HB2 H 1 2.19 0.02 . 2 . . . A 14 PRO HB2 . 18048 1 94 . 1 1 14 14 PRO HB3 H 1 1.86 0.02 . 2 . . . A 14 PRO HB3 . 18048 1 95 . 1 1 14 14 PRO C C 13 174.0 0.3 . 1 . . . A 14 PRO C . 18048 1 96 . 1 1 14 14 PRO CA C 13 60.3 0.3 . 1 . . . A 14 PRO CA . 18048 1 97 . 1 1 14 14 PRO CB C 13 29.2 0.3 . 1 . . . A 14 PRO CB . 18048 1 98 . 1 1 14 14 PRO CG C 13 24.3 0.3 . 1 . . . A 14 PRO CG . 18048 1 99 . 1 1 14 14 PRO CD C 13 47.0 0.3 . 1 . . . A 14 PRO CD . 18048 1 100 . 1 1 15 15 LYS H H 1 8.36 0.02 . 1 . . . A 15 LYS H . 18048 1 101 . 1 1 15 15 LYS HA H 1 4.21 0.02 . 1 . . . A 15 LYS HA . 18048 1 102 . 1 1 15 15 LYS CA C 13 53.5 0.3 . 1 . . . A 15 LYS CA . 18048 1 103 . 1 1 15 15 LYS CB C 13 30.3 0.3 . 1 . . . A 15 LYS CB . 18048 1 104 . 1 1 15 15 LYS CG C 13 21.9 0.3 . 1 . . . A 15 LYS CG . 18048 1 105 . 1 1 15 15 LYS CD C 13 26.3 0.3 . 1 . . . A 15 LYS CD . 18048 1 106 . 1 1 15 15 LYS CE C 13 39.2 0.3 . 1 . . . A 15 LYS CE . 18048 1 107 . 1 1 15 15 LYS N N 15 121.7 0.3 . 1 . . . A 15 LYS N . 18048 1 108 . 1 1 16 16 GLY H H 1 8.22 0.02 . 1 . . . A 16 GLY H . 18048 1 109 . 1 1 16 16 GLY HA2 H 1 3.53 0.02 . 1 . . . A 16 GLY HA2 . 18048 1 110 . 1 1 16 16 GLY C C 13 168.9 0.3 . 1 . . . A 16 GLY C . 18048 1 111 . 1 1 16 16 GLY CA C 13 41.7 0.3 . 1 . . . A 16 GLY CA . 18048 1 112 . 1 1 16 16 GLY N N 15 110.1 0.3 . 1 . . . A 16 GLY N . 18048 1 113 . 1 1 17 17 PRO HA H 1 4.38 0.02 . 1 . . . A 17 PRO HA . 18048 1 114 . 1 1 17 17 PRO HG2 H 1 1.93 0.02 . 2 . . . A 17 PRO HG2 . 18048 1 115 . 1 1 17 17 PRO HG3 H 1 1.88 0.02 . 2 . . . A 17 PRO HG3 . 18048 1 116 . 1 1 17 17 PRO C C 13 174.6 0.3 . 1 . . . A 17 PRO C . 18048 1 117 . 1 1 17 17 PRO CA C 13 60.5 0.3 . 1 . . . A 17 PRO CA . 18048 1 118 . 1 1 17 17 PRO CB C 13 29.4 0.3 . 1 . . . A 17 PRO CB . 18048 1 119 . 1 1 17 17 PRO CG C 13 24.4 0.3 . 1 . . . A 17 PRO CG . 18048 1 120 . 1 1 17 17 PRO CD C 13 48.5 0.3 . 1 . . . A 17 PRO CD . 18048 1 121 . 1 1 18 18 SER H H 1 8.52 0.02 . 1 . . . A 18 SER H . 18048 1 122 . 1 1 18 18 SER HA H 1 4.42 0.02 . 1 . . . A 18 SER HA . 18048 1 123 . 1 1 18 18 SER C C 13 171.3 0.3 . 1 . . . A 18 SER C . 18048 1 124 . 1 1 18 18 SER CA C 13 55.9 0.3 . 1 . . . A 18 SER CA . 18048 1 125 . 1 1 18 18 SER CB C 13 61.4 0.3 . 1 . . . A 18 SER CB . 18048 1 126 . 1 1 18 18 SER N N 15 116.5 0.3 . 1 . . . A 18 SER N . 18048 1 127 . 1 1 19 19 SER H H 1 8.49 0.02 . 1 . . . A 19 SER H . 18048 1 128 . 1 1 19 19 SER HA H 1 4.37 0.02 . 1 . . . A 19 SER HA . 18048 1 129 . 1 1 19 19 SER C C 13 172.6 0.3 . 1 . . . A 19 SER C . 18048 1 130 . 1 1 19 19 SER CA C 13 55.5 0.3 . 1 . . . A 19 SER CA . 18048 1 131 . 1 1 19 19 SER CB C 13 61.4 0.3 . 1 . . . A 19 SER CB . 18048 1 132 . 1 1 19 19 SER N N 15 117.7 0.3 . 1 . . . A 19 SER N . 18048 1 133 . 1 1 20 20 VAL H H 1 8.31 0.02 . 1 . . . A 20 VAL H . 18048 1 134 . 1 1 20 20 VAL HA H 1 3.49 0.02 . 1 . . . A 20 VAL HA . 18048 1 135 . 1 1 20 20 VAL HB H 1 1.93 0.02 . 1 . . . A 20 VAL HB . 18048 1 136 . 1 1 20 20 VAL C C 13 174.3 0.3 . 1 . . . A 20 VAL C . 18048 1 137 . 1 1 20 20 VAL CA C 13 63.5 0.3 . 1 . . . A 20 VAL CA . 18048 1 138 . 1 1 20 20 VAL CB C 13 28.9 0.3 . 1 . . . A 20 VAL CB . 18048 1 139 . 1 1 20 20 VAL CG1 C 13 20.6 0.3 . 1 . . . A 20 VAL CG1 . 18048 1 140 . 1 1 20 20 VAL CG2 C 13 19.8 0.3 . 1 . . . A 20 VAL CG2 . 18048 1 141 . 1 1 20 20 VAL N N 15 120.5 0.3 . 1 . . . A 20 VAL N . 18048 1 142 . 1 1 21 21 GLU H H 1 8.11 0.02 . 1 . . . A 21 GLU H . 18048 1 143 . 1 1 21 21 GLU HA H 1 3.63 0.02 . 1 . . . A 21 GLU HA . 18048 1 144 . 1 1 21 21 GLU C C 13 176.3 0.3 . 1 . . . A 21 GLU C . 18048 1 145 . 1 1 21 21 GLU CA C 13 56.9 0.3 . 1 . . . A 21 GLU CA . 18048 1 146 . 1 1 21 21 GLU CB C 13 25.9 0.3 . 1 . . . A 21 GLU CB . 18048 1 147 . 1 1 21 21 GLU CG C 13 33.6 0.3 . 1 . . . A 21 GLU CG . 18048 1 148 . 1 1 21 21 GLU N N 15 118.7 0.3 . 1 . . . A 21 GLU N . 18048 1 149 . 1 1 22 22 ASP H H 1 7.81 0.02 . 1 . . . A 22 ASP H . 18048 1 150 . 1 1 22 22 ASP HA H 1 4.26 0.02 . 1 . . . A 22 ASP HA . 18048 1 151 . 1 1 22 22 ASP HB2 H 1 2.66 0.02 . 2 . . . A 22 ASP HB2 . 18048 1 152 . 1 1 22 22 ASP HB3 H 1 2.54 0.02 . 2 . . . A 22 ASP HB3 . 18048 1 153 . 1 1 22 22 ASP C C 13 175.6 0.3 . 1 . . . A 22 ASP C . 18048 1 154 . 1 1 22 22 ASP CA C 13 54.2 0.3 . 1 . . . A 22 ASP CA . 18048 1 155 . 1 1 22 22 ASP CB C 13 37.9 0.3 . 1 . . . A 22 ASP CB . 18048 1 156 . 1 1 22 22 ASP N N 15 120.4 0.3 . 1 . . . A 22 ASP N . 18048 1 157 . 1 1 23 23 ILE H H 1 7.67 0.02 . 1 . . . A 23 ILE H . 18048 1 158 . 1 1 23 23 ILE HA H 1 3.10 0.02 . 1 . . . A 23 ILE HA . 18048 1 159 . 1 1 23 23 ILE HB H 1 1.46 0.02 . 1 . . . A 23 ILE HB . 18048 1 160 . 1 1 23 23 ILE C C 13 175.1 0.3 . 1 . . . A 23 ILE C . 18048 1 161 . 1 1 23 23 ILE CA C 13 62.3 0.3 . 1 . . . A 23 ILE CA . 18048 1 162 . 1 1 23 23 ILE CB C 13 34.3 0.3 . 1 . . . A 23 ILE CB . 18048 1 163 . 1 1 23 23 ILE CG1 C 13 25.8 0.3 . 1 . . . A 23 ILE CG1 . 18048 1 164 . 1 1 23 23 ILE CG2 C 13 14.3 0.3 . 1 . . . A 23 ILE CG2 . 18048 1 165 . 1 1 23 23 ILE CD1 C 13 10.6 0.3 . 1 . . . A 23 ILE CD1 . 18048 1 166 . 1 1 23 23 ILE N N 15 120.9 0.3 . 1 . . . A 23 ILE N . 18048 1 167 . 1 1 24 24 LYS H H 1 8.06 0.02 . 1 . . . A 24 LYS H . 18048 1 168 . 1 1 24 24 LYS HA H 1 3.09 0.02 . 1 . . . A 24 LYS HA . 18048 1 169 . 1 1 24 24 LYS HB2 H 1 1.18 0.02 . 2 . . . A 24 LYS HB2 . 18048 1 170 . 1 1 24 24 LYS HB3 H 1 0.98 0.02 . 2 . . . A 24 LYS HB3 . 18048 1 171 . 1 1 24 24 LYS HD2 H 1 0.74 0.02 . 2 . . . A 24 LYS HD2 . 18048 1 172 . 1 1 24 24 LYS HD3 H 1 0.53 0.02 . 2 . . . A 24 LYS HD3 . 18048 1 173 . 1 1 24 24 LYS C C 13 175.4 0.3 . 1 . . . A 24 LYS C . 18048 1 174 . 1 1 24 24 LYS CA C 13 57.4 0.3 . 1 . . . A 24 LYS CA . 18048 1 175 . 1 1 24 24 LYS CB C 13 29.6 0.3 . 1 . . . A 24 LYS CB . 18048 1 176 . 1 1 24 24 LYS CG C 13 21.9 0.3 . 1 . . . A 24 LYS CG . 18048 1 177 . 1 1 24 24 LYS CD C 13 26.7 0.3 . 1 . . . A 24 LYS CD . 18048 1 178 . 1 1 24 24 LYS CE C 13 38.3 0.3 . 1 . . . A 24 LYS CE . 18048 1 179 . 1 1 24 24 LYS N N 15 120.0 0.3 . 1 . . . A 24 LYS N . 18048 1 180 . 1 1 25 25 ALA H H 1 7.41 0.02 . 1 . . . A 25 ALA H . 18048 1 181 . 1 1 25 25 ALA HA H 1 4.03 0.02 . 1 . . . A 25 ALA HA . 18048 1 182 . 1 1 25 25 ALA C C 13 178.7 0.3 . 1 . . . A 25 ALA C . 18048 1 183 . 1 1 25 25 ALA CA C 13 52.3 0.3 . 1 . . . A 25 ALA CA . 18048 1 184 . 1 1 25 25 ALA CB C 13 14.7 0.3 . 1 . . . A 25 ALA CB . 18048 1 185 . 1 1 25 25 ALA N N 15 119.0 0.3 . 1 . . . A 25 ALA N . 18048 1 186 . 1 1 26 26 LYS H H 1 7.76 0.02 . 1 . . . A 26 LYS H . 18048 1 187 . 1 1 26 26 LYS HA H 1 4.05 0.02 . 1 . . . A 26 LYS HA . 18048 1 188 . 1 1 26 26 LYS HG2 H 1 1.62 0.02 . 2 . . . A 26 LYS HG2 . 18048 1 189 . 1 1 26 26 LYS HG3 H 1 1.47 0.02 . 2 . . . A 26 LYS HG3 . 18048 1 190 . 1 1 26 26 LYS C C 13 177.6 0.3 . 1 . . . A 26 LYS C . 18048 1 191 . 1 1 26 26 LYS CA C 13 56.6 0.3 . 1 . . . A 26 LYS CA . 18048 1 192 . 1 1 26 26 LYS CB C 13 29.6 0.3 . 1 . . . A 26 LYS CB . 18048 1 193 . 1 1 26 26 LYS CG C 13 23.0 0.3 . 1 . . . A 26 LYS CG . 18048 1 194 . 1 1 26 26 LYS CD C 13 26.3 0.3 . 1 . . . A 26 LYS CD . 18048 1 195 . 1 1 26 26 LYS CE C 13 39.5 0.3 . 1 . . . A 26 LYS CE . 18048 1 196 . 1 1 26 26 LYS N N 15 120.1 0.3 . 1 . . . A 26 LYS N . 18048 1 197 . 1 1 27 27 MET H H 1 8.62 0.02 . 1 . . . A 27 MET H . 18048 1 198 . 1 1 27 27 MET HA H 1 4.22 0.02 . 1 . . . A 27 MET HA . 18048 1 199 . 1 1 27 27 MET HB2 H 1 2.44 0.02 . 2 . . . A 27 MET HB2 . 18048 1 200 . 1 1 27 27 MET HB3 H 1 2.20 0.02 . 2 . . . A 27 MET HB3 . 18048 1 201 . 1 1 27 27 MET C C 13 175.9 0.3 . 1 . . . A 27 MET C . 18048 1 202 . 1 1 27 27 MET CA C 13 58.0 0.3 . 1 . . . A 27 MET CA . 18048 1 203 . 1 1 27 27 MET CB C 13 30.6 0.3 . 1 . . . A 27 MET CB . 18048 1 204 . 1 1 27 27 MET N N 15 120.9 0.3 . 1 . . . A 27 MET N . 18048 1 205 . 1 1 28 28 GLN H H 1 8.97 0.02 . 1 . . . A 28 GLN H . 18048 1 206 . 1 1 28 28 GLN HA H 1 4.04 0.02 . 1 . . . A 28 GLN HA . 18048 1 207 . 1 1 28 28 GLN HB2 H 1 2.09 0.02 . 2 . . . A 28 GLN HB2 . 18048 1 208 . 1 1 28 28 GLN HB3 H 1 2.05 0.02 . 2 . . . A 28 GLN HB3 . 18048 1 209 . 1 1 28 28 GLN HG2 H 1 2.46 0.02 . 2 . . . A 28 GLN HG2 . 18048 1 210 . 1 1 28 28 GLN HG3 H 1 2.40 0.02 . 2 . . . A 28 GLN HG3 . 18048 1 211 . 1 1 28 28 GLN HE21 H 1 7.61 0.02 . 1 . . . A 28 GLN HE21 . 18048 1 212 . 1 1 28 28 GLN HE22 H 1 6.89 0.02 . 1 . . . A 28 GLN HE22 . 18048 1 213 . 1 1 28 28 GLN C C 13 175.5 0.3 . 1 . . . A 28 GLN C . 18048 1 214 . 1 1 28 28 GLN CA C 13 56.7 0.3 . 1 . . . A 28 GLN CA . 18048 1 215 . 1 1 28 28 GLN CB C 13 25.7 0.3 . 1 . . . A 28 GLN CB . 18048 1 216 . 1 1 28 28 GLN CG C 13 31.4 0.3 . 1 . . . A 28 GLN CG . 18048 1 217 . 1 1 28 28 GLN N N 15 119.7 0.3 . 1 . . . A 28 GLN N . 18048 1 218 . 1 1 28 28 GLN NE2 N 15 112.6 0.3 . 1 . . . A 28 GLN NE2 . 18048 1 219 . 1 1 29 29 ALA H H 1 7.94 0.02 . 1 . . . A 29 ALA H . 18048 1 220 . 1 1 29 29 ALA HA H 1 4.16 0.02 . 1 . . . A 29 ALA HA . 18048 1 221 . 1 1 29 29 ALA C C 13 177.5 0.3 . 1 . . . A 29 ALA C . 18048 1 222 . 1 1 29 29 ALA CA C 13 52.1 0.3 . 1 . . . A 29 ALA CA . 18048 1 223 . 1 1 29 29 ALA CB C 13 14.8 0.3 . 1 . . . A 29 ALA CB . 18048 1 224 . 1 1 29 29 ALA N N 15 120.9 0.3 . 1 . . . A 29 ALA N . 18048 1 225 . 1 1 30 30 SER H H 1 7.78 0.02 . 1 . . . A 30 SER H . 18048 1 226 . 1 1 30 30 SER HA H 1 4.18 0.02 . 1 . . . A 30 SER HA . 18048 1 227 . 1 1 30 30 SER CA C 13 58.9 0.3 . 1 . . . A 30 SER CA . 18048 1 228 . 1 1 30 30 SER CB C 13 60.0 0.3 . 1 . . . A 30 SER CB . 18048 1 229 . 1 1 30 30 SER N N 15 112.9 0.3 . 1 . . . A 30 SER N . 18048 1 230 . 1 1 31 31 ILE H H 1 7.94 0.02 . 1 . . . A 31 ILE H . 18048 1 231 . 1 1 31 31 ILE HA H 1 3.85 0.02 . 1 . . . A 31 ILE HA . 18048 1 232 . 1 1 31 31 ILE HB H 1 1.99 0.02 . 1 . . . A 31 ILE HB . 18048 1 233 . 1 1 31 31 ILE C C 13 173.9 0.3 . 1 . . . A 31 ILE C . 18048 1 234 . 1 1 31 31 ILE CA C 13 61.5 0.3 . 1 . . . A 31 ILE CA . 18048 1 235 . 1 1 31 31 ILE CB C 13 34.9 0.3 . 1 . . . A 31 ILE CB . 18048 1 236 . 1 1 31 31 ILE CG1 C 13 25.2 0.3 . 1 . . . A 31 ILE CG1 . 18048 1 237 . 1 1 31 31 ILE CG2 C 13 14.3 0.3 . 1 . . . A 31 ILE CG2 . 18048 1 238 . 1 1 31 31 ILE CD1 C 13 10.3 0.3 . 1 . . . A 31 ILE CD1 . 18048 1 239 . 1 1 31 31 ILE N N 15 122.0 0.3 . 1 . . . A 31 ILE N . 18048 1 240 . 1 1 32 32 GLU H H 1 8.14 0.02 . 1 . . . A 32 GLU H . 18048 1 241 . 1 1 32 32 GLU HA H 1 4.03 0.02 . 1 . . . A 32 GLU HA . 18048 1 242 . 1 1 32 32 GLU HG2 H 1 2.42 0.02 . 2 . . . A 32 GLU HG2 . 18048 1 243 . 1 1 32 32 GLU HG3 H 1 2.26 0.02 . 2 . . . A 32 GLU HG3 . 18048 1 244 . 1 1 32 32 GLU C C 13 175.2 0.3 . 1 . . . A 32 GLU C . 18048 1 245 . 1 1 32 32 GLU CA C 13 56.3 0.3 . 1 . . . A 32 GLU CA . 18048 1 246 . 1 1 32 32 GLU CB C 13 26.5 0.3 . 1 . . . A 32 GLU CB . 18048 1 247 . 1 1 32 32 GLU CG C 13 33.7 0.3 . 1 . . . A 32 GLU CG . 18048 1 248 . 1 1 32 32 GLU N N 15 121.8 0.3 . 1 . . . A 32 GLU N . 18048 1 249 . 1 1 33 33 LYS H H 1 7.35 0.02 . 1 . . . A 33 LYS H . 18048 1 250 . 1 1 33 33 LYS HA H 1 4.38 0.02 . 1 . . . A 33 LYS HA . 18048 1 251 . 1 1 33 33 LYS HB2 H 1 2.02 0.02 . 2 . . . A 33 LYS HB2 . 18048 1 252 . 1 1 33 33 LYS HB3 H 1 1.74 0.02 . 2 . . . A 33 LYS HB3 . 18048 1 253 . 1 1 33 33 LYS C C 13 173.8 0.3 . 1 . . . A 33 LYS C . 18048 1 254 . 1 1 33 33 LYS CA C 13 52.9 0.3 . 1 . . . A 33 LYS CA . 18048 1 255 . 1 1 33 33 LYS CB C 13 29.5 0.3 . 1 . . . A 33 LYS CB . 18048 1 256 . 1 1 33 33 LYS CG C 13 22.1 0.3 . 1 . . . A 33 LYS CG . 18048 1 257 . 1 1 33 33 LYS CD C 13 26.3 0.3 . 1 . . . A 33 LYS CD . 18048 1 258 . 1 1 33 33 LYS CE C 13 39.3 0.3 . 1 . . . A 33 LYS CE . 18048 1 259 . 1 1 33 33 LYS N N 15 116.2 0.3 . 1 . . . A 33 LYS N . 18048 1 260 . 1 1 34 34 GLY H H 1 7.83 0.02 . 1 . . . A 34 GLY H . 18048 1 261 . 1 1 34 34 GLY HA2 H 1 3.71 0.02 . 1 . . . A 34 GLY HA2 . 18048 1 262 . 1 1 34 34 GLY C C 13 172.4 0.3 . 1 . . . A 34 GLY C . 18048 1 263 . 1 1 34 34 GLY CA C 13 42.6 0.3 . 1 . . . A 34 GLY CA . 18048 1 264 . 1 1 34 34 GLY N N 15 107.4 0.3 . 1 . . . A 34 GLY N . 18048 1 265 . 1 1 35 35 GLY H H 1 8.33 0.02 . 1 . . . A 35 GLY H . 18048 1 266 . 1 1 35 35 GLY HA2 H 1 3.53 0.02 . 1 . . . A 35 GLY HA2 . 18048 1 267 . 1 1 35 35 GLY C C 13 169.5 0.3 . 1 . . . A 35 GLY C . 18048 1 268 . 1 1 35 35 GLY CA C 13 41.6 0.3 . 1 . . . A 35 GLY CA . 18048 1 269 . 1 1 35 35 GLY N N 15 109.2 0.3 . 1 . . . A 35 GLY N . 18048 1 270 . 1 1 36 36 SER H H 1 8.15 0.02 . 1 . . . A 36 SER H . 18048 1 271 . 1 1 36 36 SER HA H 1 4.61 0.02 . 1 . . . A 36 SER HA . 18048 1 272 . 1 1 36 36 SER C C 13 171.0 0.3 . 1 . . . A 36 SER C . 18048 1 273 . 1 1 36 36 SER CA C 13 54.0 0.3 . 1 . . . A 36 SER CA . 18048 1 274 . 1 1 36 36 SER CB C 13 62.3 0.3 . 1 . . . A 36 SER CB . 18048 1 275 . 1 1 36 36 SER N N 15 112.7 0.3 . 1 . . . A 36 SER N . 18048 1 276 . 1 1 37 37 LEU H H 1 8.38 0.02 . 1 . . . A 37 LEU H . 18048 1 277 . 1 1 37 37 LEU HA H 1 4.16 0.02 . 1 . . . A 37 LEU HA . 18048 1 278 . 1 1 37 37 LEU C C 13 173.6 0.3 . 1 . . . A 37 LEU C . 18048 1 279 . 1 1 37 37 LEU CA C 13 53.4 0.3 . 1 . . . A 37 LEU CA . 18048 1 280 . 1 1 37 37 LEU CB C 13 40.5 0.3 . 1 . . . A 37 LEU CB . 18048 1 281 . 1 1 37 37 LEU N N 15 122.7 0.3 . 1 . . . A 37 LEU N . 18048 1 282 . 1 1 38 38 PRO HA H 1 4.27 0.02 . 1 . . . A 38 PRO HA . 18048 1 283 . 1 1 38 38 PRO HG2 H 1 1.90 0.02 . 2 . . . A 38 PRO HG2 . 18048 1 284 . 1 1 38 38 PRO HG3 H 1 1.76 0.02 . 2 . . . A 38 PRO HG3 . 18048 1 285 . 1 1 38 38 PRO HD2 H 1 3.50 0.02 . 2 . . . A 38 PRO HD2 . 18048 1 286 . 1 1 38 38 PRO HD3 H 1 3.00 0.02 . 2 . . . A 38 PRO HD3 . 18048 1 287 . 1 1 38 38 PRO C C 13 174.4 0.3 . 1 . . . A 38 PRO C . 18048 1 288 . 1 1 38 38 PRO CA C 13 61.4 0.3 . 1 . . . A 38 PRO CA . 18048 1 289 . 1 1 38 38 PRO CB C 13 29.8 0.3 . 1 . . . A 38 PRO CB . 18048 1 290 . 1 1 38 38 PRO CG C 13 25.0 0.3 . 1 . . . A 38 PRO CG . 18048 1 291 . 1 1 38 38 PRO CD C 13 47.6 0.3 . 1 . . . A 38 PRO CD . 18048 1 292 . 1 1 39 39 LYS H H 1 8.92 0.02 . 1 . . . A 39 LYS H . 18048 1 293 . 1 1 39 39 LYS HA H 1 4.38 0.02 . 1 . . . A 39 LYS HA . 18048 1 294 . 1 1 39 39 LYS HB2 H 1 1.90 0.02 . 2 . . . A 39 LYS HB2 . 18048 1 295 . 1 1 39 39 LYS HB3 H 1 1.67 0.02 . 2 . . . A 39 LYS HB3 . 18048 1 296 . 1 1 39 39 LYS HG2 H 1 1.39 0.02 . 2 . . . A 39 LYS HG2 . 18048 1 297 . 1 1 39 39 LYS HG3 H 1 1.34 0.02 . 2 . . . A 39 LYS HG3 . 18048 1 298 . 1 1 39 39 LYS C C 13 172.3 0.3 . 1 . . . A 39 LYS C . 18048 1 299 . 1 1 39 39 LYS CA C 13 53.7 0.3 . 1 . . . A 39 LYS CA . 18048 1 300 . 1 1 39 39 LYS CB C 13 31.3 0.3 . 1 . . . A 39 LYS CB . 18048 1 301 . 1 1 39 39 LYS CG C 13 22.8 0.3 . 1 . . . A 39 LYS CG . 18048 1 302 . 1 1 39 39 LYS CD C 13 26.7 0.3 . 1 . . . A 39 LYS CD . 18048 1 303 . 1 1 39 39 LYS CE C 13 39.3 0.3 . 1 . . . A 39 LYS CE . 18048 1 304 . 1 1 39 39 LYS N N 15 122.3 0.3 . 1 . . . A 39 LYS N . 18048 1 305 . 1 1 40 40 VAL H H 1 7.00 0.02 . 1 . . . A 40 VAL H . 18048 1 306 . 1 1 40 40 VAL HA H 1 4.28 0.02 . 1 . . . A 40 VAL HA . 18048 1 307 . 1 1 40 40 VAL HB H 1 1.81 0.02 . 1 . . . A 40 VAL HB . 18048 1 308 . 1 1 40 40 VAL C C 13 173.6 0.3 . 1 . . . A 40 VAL C . 18048 1 309 . 1 1 40 40 VAL CA C 13 58.1 0.3 . 1 . . . A 40 VAL CA . 18048 1 310 . 1 1 40 40 VAL CB C 13 31.4 0.3 . 1 . . . A 40 VAL CB . 18048 1 311 . 1 1 40 40 VAL CG1 C 13 18.7 0.3 . 1 . . . A 40 VAL CG1 . 18048 1 312 . 1 1 40 40 VAL CG2 C 13 18.3 0.3 . 1 . . . A 40 VAL CG2 . 18048 1 313 . 1 1 40 40 VAL N N 15 118.5 0.3 . 1 . . . A 40 VAL N . 18048 1 314 . 1 1 41 41 GLU H H 1 8.82 0.02 . 1 . . . A 41 GLU H . 18048 1 315 . 1 1 41 41 GLU HA H 1 3.95 0.02 . 1 . . . A 41 GLU HA . 18048 1 316 . 1 1 41 41 GLU C C 13 174.7 0.3 . 1 . . . A 41 GLU C . 18048 1 317 . 1 1 41 41 GLU CA C 13 57.7 0.3 . 1 . . . A 41 GLU CA . 18048 1 318 . 1 1 41 41 GLU CB C 13 27.1 0.3 . 1 . . . A 41 GLU CB . 18048 1 319 . 1 1 41 41 GLU N N 15 131.8 0.3 . 1 . . . A 41 GLU N . 18048 1 320 . 1 1 42 42 ALA H H 1 8.63 0.02 . 1 . . . A 42 ALA H . 18048 1 321 . 1 1 42 42 ALA HA H 1 3.79 0.02 . 1 . . . A 42 ALA HA . 18048 1 322 . 1 1 42 42 ALA C C 13 178.0 0.3 . 1 . . . A 42 ALA C . 18048 1 323 . 1 1 42 42 ALA CA C 13 52.9 0.3 . 1 . . . A 42 ALA CA . 18048 1 324 . 1 1 42 42 ALA CB C 13 15.4 0.3 . 1 . . . A 42 ALA CB . 18048 1 325 . 1 1 42 42 ALA N N 15 117.7 0.3 . 1 . . . A 42 ALA N . 18048 1 326 . 1 1 43 43 LYS H H 1 6.53 0.02 . 1 . . . A 43 LYS H . 18048 1 327 . 1 1 43 43 LYS HA H 1 4.09 0.02 . 1 . . . A 43 LYS HA . 18048 1 328 . 1 1 43 43 LYS C C 13 176.6 0.3 . 1 . . . A 43 LYS C . 18048 1 329 . 1 1 43 43 LYS CA C 13 55.2 0.3 . 1 . . . A 43 LYS CA . 18048 1 330 . 1 1 43 43 LYS CB C 13 30.0 0.3 . 1 . . . A 43 LYS CB . 18048 1 331 . 1 1 43 43 LYS CG C 13 22.7 0.3 . 1 . . . A 43 LYS CG . 18048 1 332 . 1 1 43 43 LYS CD C 13 26.0 0.3 . 1 . . . A 43 LYS CD . 18048 1 333 . 1 1 43 43 LYS CE C 13 39.3 0.3 . 1 . . . A 43 LYS CE . 18048 1 334 . 1 1 43 43 LYS N N 15 113.5 0.3 . 1 . . . A 43 LYS N . 18048 1 335 . 1 1 44 44 PHE H H 1 8.61 0.02 . 1 . . . A 44 PHE H . 18048 1 336 . 1 1 44 44 PHE HA H 1 3.94 0.02 . 1 . . . A 44 PHE HA . 18048 1 337 . 1 1 44 44 PHE HB2 H 1 3.02 0.02 . 2 . . . A 44 PHE HB2 . 18048 1 338 . 1 1 44 44 PHE HB3 H 1 2.92 0.02 . 2 . . . A 44 PHE HB3 . 18048 1 339 . 1 1 44 44 PHE C C 13 173.3 0.3 . 1 . . . A 44 PHE C . 18048 1 340 . 1 1 44 44 PHE CA C 13 60.3 0.3 . 1 . . . A 44 PHE CA . 18048 1 341 . 1 1 44 44 PHE CB C 13 36.7 0.3 . 1 . . . A 44 PHE CB . 18048 1 342 . 1 1 44 44 PHE N N 15 123.6 0.3 . 1 . . . A 44 PHE N . 18048 1 343 . 1 1 45 45 ILE H H 1 8.69 0.02 . 1 . . . A 45 ILE H . 18048 1 344 . 1 1 45 45 ILE HA H 1 3.37 0.02 . 1 . . . A 45 ILE HA . 18048 1 345 . 1 1 45 45 ILE HB H 1 1.68 0.02 . 1 . . . A 45 ILE HB . 18048 1 346 . 1 1 45 45 ILE C C 13 174.7 0.3 . 1 . . . A 45 ILE C . 18048 1 347 . 1 1 45 45 ILE CA C 13 63.5 0.3 . 1 . . . A 45 ILE CA . 18048 1 348 . 1 1 45 45 ILE CB C 13 35.0 0.3 . 1 . . . A 45 ILE CB . 18048 1 349 . 1 1 45 45 ILE CG1 C 13 25.9 0.3 . 1 . . . A 45 ILE CG1 . 18048 1 350 . 1 1 45 45 ILE CG2 C 13 14.1 0.3 . 1 . . . A 45 ILE CG2 . 18048 1 351 . 1 1 45 45 ILE CD1 C 13 11.0 0.3 . 1 . . . A 45 ILE CD1 . 18048 1 352 . 1 1 45 45 ILE N N 15 119.6 0.3 . 1 . . . A 45 ILE N . 18048 1 353 . 1 1 46 46 ASN H H 1 7.32 0.02 . 1 . . . A 46 ASN H . 18048 1 354 . 1 1 46 46 ASN HA H 1 4.25 0.02 . 1 . . . A 46 ASN HA . 18048 1 355 . 1 1 46 46 ASN HD21 H 1 7.23 0.02 . 1 . . . A 46 ASN HD21 . 18048 1 356 . 1 1 46 46 ASN HD22 H 1 6.70 0.02 . 1 . . . A 46 ASN HD22 . 18048 1 357 . 1 1 46 46 ASN C C 13 173.8 0.3 . 1 . . . A 46 ASN C . 18048 1 358 . 1 1 46 46 ASN CA C 13 53.8 0.3 . 1 . . . A 46 ASN CA . 18048 1 359 . 1 1 46 46 ASN CB C 13 35.6 0.3 . 1 . . . A 46 ASN CB . 18048 1 360 . 1 1 46 46 ASN N N 15 115.9 0.3 . 1 . . . A 46 ASN N . 18048 1 361 . 1 1 46 46 ASN ND2 N 15 111.7 0.3 . 1 . . . A 46 ASN ND2 . 18048 1 362 . 1 1 47 47 TYR H H 1 7.84 0.02 . 1 . . . A 47 TYR H . 18048 1 363 . 1 1 47 47 TYR HA H 1 4.29 0.02 . 1 . . . A 47 TYR HA . 18048 1 364 . 1 1 47 47 TYR C C 13 174.4 0.3 . 1 . . . A 47 TYR C . 18048 1 365 . 1 1 47 47 TYR CA C 13 58.2 0.3 . 1 . . . A 47 TYR CA . 18048 1 366 . 1 1 47 47 TYR CB C 13 35.8 0.3 . 1 . . . A 47 TYR CB . 18048 1 367 . 1 1 47 47 TYR N N 15 120.9 0.3 . 1 . . . A 47 TYR N . 18048 1 368 . 1 1 48 48 VAL H H 1 8.26 0.02 . 1 . . . A 48 VAL H . 18048 1 369 . 1 1 48 48 VAL HA H 1 3.47 0.02 . 1 . . . A 48 VAL HA . 18048 1 370 . 1 1 48 48 VAL HB H 1 1.97 0.02 . 1 . . . A 48 VAL HB . 18048 1 371 . 1 1 48 48 VAL C C 13 176.3 0.3 . 1 . . . A 48 VAL C . 18048 1 372 . 1 1 48 48 VAL CA C 13 63.8 0.3 . 1 . . . A 48 VAL CA . 18048 1 373 . 1 1 48 48 VAL CB C 13 28.4 0.3 . 1 . . . A 48 VAL CB . 18048 1 374 . 1 1 48 48 VAL CG1 C 13 20.7 0.3 . 1 . . . A 48 VAL CG1 . 18048 1 375 . 1 1 48 48 VAL CG2 C 13 19.9 0.3 . 1 . . . A 48 VAL CG2 . 18048 1 376 . 1 1 48 48 VAL N N 15 117.8 0.3 . 1 . . . A 48 VAL N . 18048 1 377 . 1 1 49 49 LYS H H 1 8.07 0.02 . 1 . . . A 49 LYS H . 18048 1 378 . 1 1 49 49 LYS HA H 1 3.95 0.02 . 1 . . . A 49 LYS HA . 18048 1 379 . 1 1 49 49 LYS HB2 H 1 1.73 0.02 . 2 . . . A 49 LYS HB2 . 18048 1 380 . 1 1 49 49 LYS HB3 H 1 1.68 0.02 . 2 . . . A 49 LYS HB3 . 18048 1 381 . 1 1 49 49 LYS HG2 H 1 1.59 0.02 . 2 . . . A 49 LYS HG2 . 18048 1 382 . 1 1 49 49 LYS HG3 H 1 1.29 0.02 . 2 . . . A 49 LYS HG3 . 18048 1 383 . 1 1 49 49 LYS HD2 H 1 1.51 0.02 . 2 . . . A 49 LYS HD2 . 18048 1 384 . 1 1 49 49 LYS HD3 H 1 1.49 0.02 . 2 . . . A 49 LYS HD3 . 18048 1 385 . 1 1 49 49 LYS HE2 H 1 2.73 0.02 . 2 . . . A 49 LYS HE2 . 18048 1 386 . 1 1 49 49 LYS HE3 H 1 2.69 0.02 . 2 . . . A 49 LYS HE3 . 18048 1 387 . 1 1 49 49 LYS C C 13 176.4 0.3 . 1 . . . A 49 LYS C . 18048 1 388 . 1 1 49 49 LYS CA C 13 57.6 0.3 . 1 . . . A 49 LYS CA . 18048 1 389 . 1 1 49 49 LYS CB C 13 29.9 0.3 . 1 . . . A 49 LYS CB . 18048 1 390 . 1 1 49 49 LYS CG C 13 22.8 0.3 . 1 . . . A 49 LYS CG . 18048 1 391 . 1 1 49 49 LYS CD C 13 26.9 0.3 . 1 . . . A 49 LYS CD . 18048 1 392 . 1 1 49 49 LYS CE C 13 39.2 0.3 . 1 . . . A 49 LYS CE . 18048 1 393 . 1 1 49 49 LYS N N 15 119.7 0.3 . 1 . . . A 49 LYS N . 18048 1 394 . 1 1 50 50 ASN H H 1 8.08 0.02 . 1 . . . A 50 ASN H . 18048 1 395 . 1 1 50 50 ASN HA H 1 4.35 0.02 . 1 . . . A 50 ASN HA . 18048 1 396 . 1 1 50 50 ASN HB2 H 1 2.72 0.02 . 2 . . . A 50 ASN HB2 . 18048 1 397 . 1 1 50 50 ASN HB3 H 1 2.57 0.02 . 2 . . . A 50 ASN HB3 . 18048 1 398 . 1 1 50 50 ASN HD21 H 1 7.36 0.02 . 1 . . . A 50 ASN HD21 . 18048 1 399 . 1 1 50 50 ASN HD22 H 1 6.81 0.02 . 1 . . . A 50 ASN HD22 . 18048 1 400 . 1 1 50 50 ASN C C 13 174.1 0.3 . 1 . . . A 50 ASN C . 18048 1 401 . 1 1 50 50 ASN CA C 13 53.0 0.3 . 1 . . . A 50 ASN CA . 18048 1 402 . 1 1 50 50 ASN CB C 13 36.3 0.3 . 1 . . . A 50 ASN CB . 18048 1 403 . 1 1 50 50 ASN N N 15 115.6 0.3 . 1 . . . A 50 ASN N . 18048 1 404 . 1 1 50 50 ASN ND2 N 15 112.7 0.3 . 1 . . . A 50 ASN ND2 . 18048 1 405 . 1 1 51 51 CYS H H 1 8.48 0.02 . 1 . . . A 51 CYS H . 18048 1 406 . 1 1 51 51 CYS C C 13 172.8 0.3 . 1 . . . A 51 CYS C . 18048 1 407 . 1 1 51 51 CYS CA C 13 58.8 0.3 . 1 . . . A 51 CYS CA . 18048 1 408 . 1 1 51 51 CYS CB C 13 24.2 0.3 . 1 . . . A 51 CYS CB . 18048 1 409 . 1 1 51 51 CYS N N 15 115.8 0.3 . 1 . . . A 51 CYS N . 18048 1 410 . 1 1 52 52 PHE H H 1 7.23 0.02 . 1 . . . A 52 PHE H . 18048 1 411 . 1 1 52 52 PHE HA H 1 4.62 0.02 . 1 . . . A 52 PHE HA . 18048 1 412 . 1 1 52 52 PHE HB2 H 1 3.22 0.02 . 2 . . . A 52 PHE HB2 . 18048 1 413 . 1 1 52 52 PHE HB3 H 1 2.70 0.02 . 2 . . . A 52 PHE HB3 . 18048 1 414 . 1 1 52 52 PHE C C 13 171.9 0.3 . 1 . . . A 52 PHE C . 18048 1 415 . 1 1 52 52 PHE CA C 13 54.6 0.3 . 1 . . . A 52 PHE CA . 18048 1 416 . 1 1 52 52 PHE CB C 13 36.9 0.3 . 1 . . . A 52 PHE CB . 18048 1 417 . 1 1 52 52 PHE N N 15 112.7 0.3 . 1 . . . A 52 PHE N . 18048 1 418 . 1 1 53 53 ARG H H 1 7.20 0.02 . 1 . . . A 53 ARG H . 18048 1 419 . 1 1 53 53 ARG C C 13 172.0 0.3 . 1 . . . A 53 ARG C . 18048 1 420 . 1 1 53 53 ARG CA C 13 53.9 0.3 . 1 . . . A 53 ARG CA . 18048 1 421 . 1 1 53 53 ARG CB C 13 23.5 0.3 . 1 . . . A 53 ARG CB . 18048 1 422 . 1 1 53 53 ARG N N 15 114.5 0.3 . 1 . . . A 53 ARG N . 18048 1 423 . 1 1 54 54 MET H H 1 6.77 0.02 . 1 . . . A 54 MET H . 18048 1 424 . 1 1 54 54 MET HA H 1 4.43 0.02 . 1 . . . A 54 MET HA . 18048 1 425 . 1 1 54 54 MET HB2 H 1 1.68 0.02 . 2 . . . A 54 MET HB2 . 18048 1 426 . 1 1 54 54 MET HB3 H 1 1.59 0.02 . 2 . . . A 54 MET HB3 . 18048 1 427 . 1 1 54 54 MET C C 13 172.6 0.3 . 1 . . . A 54 MET C . 18048 1 428 . 1 1 54 54 MET CA C 13 52.8 0.3 . 1 . . . A 54 MET CA . 18048 1 429 . 1 1 54 54 MET CB C 13 31.5 0.3 . 1 . . . A 54 MET CB . 18048 1 430 . 1 1 54 54 MET N N 15 116.8 0.3 . 1 . . . A 54 MET N . 18048 1 431 . 1 1 55 55 THR H H 1 8.48 0.02 . 1 . . . A 55 THR H . 18048 1 432 . 1 1 55 55 THR HA H 1 4.28 0.02 . 1 . . . A 55 THR HA . 18048 1 433 . 1 1 55 55 THR HB H 1 4.28 0.02 . 1 . . . A 55 THR HB . 18048 1 434 . 1 1 55 55 THR C C 13 171.8 0.3 . 1 . . . A 55 THR C . 18048 1 435 . 1 1 55 55 THR CA C 13 58.4 0.3 . 1 . . . A 55 THR CA . 18048 1 436 . 1 1 55 55 THR CB C 13 67.4 0.3 . 1 . . . A 55 THR CB . 18048 1 437 . 1 1 55 55 THR CG2 C 13 18.6 0.3 . 1 . . . A 55 THR CG2 . 18048 1 438 . 1 1 55 55 THR N N 15 110.8 0.3 . 1 . . . A 55 THR N . 18048 1 439 . 1 1 56 56 ASP H H 1 7.45 0.02 . 1 . . . A 56 ASP H . 18048 1 440 . 1 1 56 56 ASP HA H 1 4.48 0.02 . 1 . . . A 56 ASP HA . 18048 1 441 . 1 1 56 56 ASP HB2 H 1 2.79 0.02 . 2 . . . A 56 ASP HB2 . 18048 1 442 . 1 1 56 56 ASP HB3 H 1 2.59 0.02 . 2 . . . A 56 ASP HB3 . 18048 1 443 . 1 1 56 56 ASP C C 13 173.2 0.3 . 1 . . . A 56 ASP C . 18048 1 444 . 1 1 56 56 ASP CA C 13 51.6 0.3 . 1 . . . A 56 ASP CA . 18048 1 445 . 1 1 56 56 ASP CB C 13 39.1 0.3 . 1 . . . A 56 ASP CB . 18048 1 446 . 1 1 56 56 ASP N N 15 123.8 0.3 . 1 . . . A 56 ASP N . 18048 1 447 . 1 1 57 57 GLN H H 1 8.88 0.02 . 1 . . . A 57 GLN H . 18048 1 448 . 1 1 57 57 GLN HA H 1 3.80 0.02 . 1 . . . A 57 GLN HA . 18048 1 449 . 1 1 57 57 GLN HB2 H 1 2.08 0.02 . 2 . . . A 57 GLN HB2 . 18048 1 450 . 1 1 57 57 GLN HB3 H 1 2.03 0.02 . 2 . . . A 57 GLN HB3 . 18048 1 451 . 1 1 57 57 GLN HG2 H 1 2.46 0.02 . 2 . . . A 57 GLN HG2 . 18048 1 452 . 1 1 57 57 GLN HG3 H 1 2.37 0.02 . 2 . . . A 57 GLN HG3 . 18048 1 453 . 1 1 57 57 GLN HE21 H 1 7.42 0.02 . 1 . . . A 57 GLN HE21 . 18048 1 454 . 1 1 57 57 GLN HE22 H 1 7.10 0.02 . 1 . . . A 57 GLN HE22 . 18048 1 455 . 1 1 57 57 GLN C C 13 175.4 0.3 . 1 . . . A 57 GLN C . 18048 1 456 . 1 1 57 57 GLN CA C 13 56.6 0.3 . 1 . . . A 57 GLN CA . 18048 1 457 . 1 1 57 57 GLN CB C 13 25.6 0.3 . 1 . . . A 57 GLN CB . 18048 1 458 . 1 1 57 57 GLN CG C 13 30.8 0.3 . 1 . . . A 57 GLN CG . 18048 1 459 . 1 1 57 57 GLN N N 15 126.6 0.3 . 1 . . . A 57 GLN N . 18048 1 460 . 1 1 57 57 GLN NE2 N 15 111.5 0.3 . 1 . . . A 57 GLN NE2 . 18048 1 461 . 1 1 58 58 GLU H H 1 8.22 0.02 . 1 . . . A 58 GLU H . 18048 1 462 . 1 1 58 58 GLU HA H 1 3.98 0.02 . 1 . . . A 58 GLU HA . 18048 1 463 . 1 1 58 58 GLU HB2 H 1 2.06 0.02 . 2 . . . A 58 GLU HB2 . 18048 1 464 . 1 1 58 58 GLU HB3 H 1 2.01 0.02 . 2 . . . A 58 GLU HB3 . 18048 1 465 . 1 1 58 58 GLU HG2 H 1 2.26 0.02 . 2 . . . A 58 GLU HG2 . 18048 1 466 . 1 1 58 58 GLU HG3 H 1 2.18 0.02 . 2 . . . A 58 GLU HG3 . 18048 1 467 . 1 1 58 58 GLU C C 13 175.9 0.3 . 1 . . . A 58 GLU C . 18048 1 468 . 1 1 58 58 GLU CA C 13 56.9 0.3 . 1 . . . A 58 GLU CA . 18048 1 469 . 1 1 58 58 GLU CB C 13 26.3 0.3 . 1 . . . A 58 GLU CB . 18048 1 470 . 1 1 58 58 GLU CG C 13 34.1 0.3 . 1 . . . A 58 GLU CG . 18048 1 471 . 1 1 58 58 GLU N N 15 119.4 0.3 . 1 . . . A 58 GLU N . 18048 1 472 . 1 1 59 59 ALA H H 1 7.71 0.02 . 1 . . . A 59 ALA H . 18048 1 473 . 1 1 59 59 ALA HA H 1 4.10 0.02 . 1 . . . A 59 ALA HA . 18048 1 474 . 1 1 59 59 ALA C C 13 177.4 0.3 . 1 . . . A 59 ALA C . 18048 1 475 . 1 1 59 59 ALA CA C 13 51.9 0.3 . 1 . . . A 59 ALA CA . 18048 1 476 . 1 1 59 59 ALA CB C 13 15.9 0.3 . 1 . . . A 59 ALA CB . 18048 1 477 . 1 1 59 59 ALA N N 15 123.3 0.3 . 1 . . . A 59 ALA N . 18048 1 478 . 1 1 60 60 ILE H H 1 8.13 0.02 . 1 . . . A 60 ILE H . 18048 1 479 . 1 1 60 60 ILE HA H 1 3.50 0.02 . 1 . . . A 60 ILE HA . 18048 1 480 . 1 1 60 60 ILE HB H 1 1.81 0.02 . 1 . . . A 60 ILE HB . 18048 1 481 . 1 1 60 60 ILE C C 13 175.1 0.3 . 1 . . . A 60 ILE C . 18048 1 482 . 1 1 60 60 ILE CA C 13 63.8 0.3 . 1 . . . A 60 ILE CA . 18048 1 483 . 1 1 60 60 ILE CB C 13 34.8 0.3 . 1 . . . A 60 ILE CB . 18048 1 484 . 1 1 60 60 ILE CG1 C 13 27.1 0.3 . 1 . . . A 60 ILE CG1 . 18048 1 485 . 1 1 60 60 ILE CG2 C 13 16.1 0.3 . 1 . . . A 60 ILE CG2 . 18048 1 486 . 1 1 60 60 ILE CD1 C 13 10.4 0.3 . 1 . . . A 60 ILE CD1 . 18048 1 487 . 1 1 60 60 ILE N N 15 117.3 0.3 . 1 . . . A 60 ILE N . 18048 1 488 . 1 1 61 61 GLN H H 1 8.00 0.02 . 1 . . . A 61 GLN H . 18048 1 489 . 1 1 61 61 GLN HA H 1 4.18 0.02 . 1 . . . A 61 GLN HA . 18048 1 490 . 1 1 61 61 GLN HG2 H 1 2.51 0.02 . 2 . . . A 61 GLN HG2 . 18048 1 491 . 1 1 61 61 GLN HG3 H 1 2.47 0.02 . 2 . . . A 61 GLN HG3 . 18048 1 492 . 1 1 61 61 GLN HE21 H 1 7.45 0.02 . 1 . . . A 61 GLN HE21 . 18048 1 493 . 1 1 61 61 GLN HE22 H 1 6.78 0.02 . 1 . . . A 61 GLN HE22 . 18048 1 494 . 1 1 61 61 GLN C C 13 175.9 0.3 . 1 . . . A 61 GLN C . 18048 1 495 . 1 1 61 61 GLN CA C 13 56.3 0.3 . 1 . . . A 61 GLN CA . 18048 1 496 . 1 1 61 61 GLN CB C 13 25.0 0.3 . 1 . . . A 61 GLN CB . 18048 1 497 . 1 1 61 61 GLN CG C 13 31.6 0.3 . 1 . . . A 61 GLN CG . 18048 1 498 . 1 1 61 61 GLN N N 15 118.8 0.3 . 1 . . . A 61 GLN N . 18048 1 499 . 1 1 61 61 GLN NE2 N 15 112.2 0.3 . 1 . . . A 61 GLN NE2 . 18048 1 500 . 1 1 62 62 ASP H H 1 8.02 0.02 . 1 . . . A 62 ASP H . 18048 1 501 . 1 1 62 62 ASP HA H 1 4.39 0.02 . 1 . . . A 62 ASP HA . 18048 1 502 . 1 1 62 62 ASP HB2 H 1 2.81 0.02 . 2 . . . A 62 ASP HB2 . 18048 1 503 . 1 1 62 62 ASP HB3 H 1 2.65 0.02 . 2 . . . A 62 ASP HB3 . 18048 1 504 . 1 1 62 62 ASP C C 13 177.2 0.3 . 1 . . . A 62 ASP C . 18048 1 505 . 1 1 62 62 ASP CA C 13 55.0 0.3 . 1 . . . A 62 ASP CA . 18048 1 506 . 1 1 62 62 ASP CB C 13 37.9 0.3 . 1 . . . A 62 ASP CB . 18048 1 507 . 1 1 62 62 ASP N N 15 121.0 0.3 . 1 . . . A 62 ASP N . 18048 1 508 . 1 1 63 63 LEU H H 1 8.22 0.02 . 1 . . . A 63 LEU H . 18048 1 509 . 1 1 63 63 LEU HA H 1 4.20 0.02 . 1 . . . A 63 LEU HA . 18048 1 510 . 1 1 63 63 LEU HB2 H 1 2.44 0.02 . 2 . . . A 63 LEU HB2 . 18048 1 511 . 1 1 63 63 LEU HB3 H 1 1.64 0.02 . 2 . . . A 63 LEU HB3 . 18048 1 512 . 1 1 63 63 LEU HG H 1 1.88 0.02 . 1 . . . A 63 LEU HG . 18048 1 513 . 1 1 63 63 LEU C C 13 175.6 0.3 . 1 . . . A 63 LEU C . 18048 1 514 . 1 1 63 63 LEU CA C 13 55.4 0.3 . 1 . . . A 63 LEU CA . 18048 1 515 . 1 1 63 63 LEU CB C 13 39.4 0.3 . 1 . . . A 63 LEU CB . 18048 1 516 . 1 1 63 63 LEU CG C 13 24.0 0.3 . 1 . . . A 63 LEU CG . 18048 1 517 . 1 1 63 63 LEU CD1 C 13 21.2 0.3 . 1 . . . A 63 LEU CD1 . 18048 1 518 . 1 1 63 63 LEU CD2 C 13 21.0 0.3 . 1 . . . A 63 LEU CD2 . 18048 1 519 . 1 1 63 63 LEU N N 15 120.7 0.3 . 1 . . . A 63 LEU N . 18048 1 520 . 1 1 64 64 TRP H H 1 8.89 0.02 . 1 . . . A 64 TRP H . 18048 1 521 . 1 1 64 64 TRP HA H 1 4.03 0.02 . 1 . . . A 64 TRP HA . 18048 1 522 . 1 1 64 64 TRP HB2 H 1 3.37 0.02 . 2 . . . A 64 TRP HB2 . 18048 1 523 . 1 1 64 64 TRP HB3 H 1 3.17 0.02 . 2 . . . A 64 TRP HB3 . 18048 1 524 . 1 1 64 64 TRP HE1 H 1 9.81 0.02 . 1 . . . A 64 TRP HE1 . 18048 1 525 . 1 1 64 64 TRP C C 13 173.5 0.3 . 1 . . . A 64 TRP C . 18048 1 526 . 1 1 64 64 TRP CA C 13 56.2 0.3 . 1 . . . A 64 TRP CA . 18048 1 527 . 1 1 64 64 TRP CB C 13 26.8 0.3 . 1 . . . A 64 TRP CB . 18048 1 528 . 1 1 64 64 TRP N N 15 122.4 0.3 . 1 . . . A 64 TRP N . 18048 1 529 . 1 1 64 64 TRP NE1 N 15 127.5 0.3 . 1 . . . A 64 TRP NE1 . 18048 1 530 . 1 1 65 65 GLN H H 1 8.31 0.02 . 1 . . . A 65 GLN H . 18048 1 531 . 1 1 65 65 GLN HA H 1 3.29 0.02 . 1 . . . A 65 GLN HA . 18048 1 532 . 1 1 65 65 GLN HB2 H 1 2.08 0.02 . 2 . . . A 65 GLN HB2 . 18048 1 533 . 1 1 65 65 GLN HB3 H 1 2.02 0.02 . 2 . . . A 65 GLN HB3 . 18048 1 534 . 1 1 65 65 GLN HE21 H 1 7.43 0.02 . 1 . . . A 65 GLN HE21 . 18048 1 535 . 1 1 65 65 GLN HE22 H 1 7.10 0.02 . 1 . . . A 65 GLN HE22 . 18048 1 536 . 1 1 65 65 GLN C C 13 176.2 0.3 . 1 . . . A 65 GLN C . 18048 1 537 . 1 1 65 65 GLN CA C 13 55.9 0.3 . 1 . . . A 65 GLN CA . 18048 1 538 . 1 1 65 65 GLN CB C 13 24.7 0.3 . 1 . . . A 65 GLN CB . 18048 1 539 . 1 1 65 65 GLN CG C 13 30.8 0.3 . 1 . . . A 65 GLN CG . 18048 1 540 . 1 1 65 65 GLN N N 15 116.7 0.3 . 1 . . . A 65 GLN N . 18048 1 541 . 1 1 65 65 GLN NE2 N 15 111.0 0.3 . 1 . . . A 65 GLN NE2 . 18048 1 542 . 1 1 66 66 TRP H H 1 7.75 0.02 . 1 . . . A 66 TRP H . 18048 1 543 . 1 1 66 66 TRP HA H 1 4.01 0.02 . 1 . . . A 66 TRP HA . 18048 1 544 . 1 1 66 66 TRP HB2 H 1 3.55 0.02 . 2 . . . A 66 TRP HB2 . 18048 1 545 . 1 1 66 66 TRP HB3 H 1 3.18 0.02 . 2 . . . A 66 TRP HB3 . 18048 1 546 . 1 1 66 66 TRP HE1 H 1 10.11 0.02 . 1 . . . A 66 TRP HE1 . 18048 1 547 . 1 1 66 66 TRP C C 13 175.1 0.3 . 1 . . . A 66 TRP C . 18048 1 548 . 1 1 66 66 TRP CA C 13 58.1 0.3 . 1 . . . A 66 TRP CA . 18048 1 549 . 1 1 66 66 TRP CB C 13 24.6 0.3 . 1 . . . A 66 TRP CB . 18048 1 550 . 1 1 66 66 TRP N N 15 119.5 0.3 . 1 . . . A 66 TRP N . 18048 1 551 . 1 1 66 66 TRP NE1 N 15 130.5 0.3 . 1 . . . A 66 TRP NE1 . 18048 1 552 . 1 1 67 67 ARG H H 1 8.64 0.02 . 1 . . . A 67 ARG H . 18048 1 553 . 1 1 67 67 ARG HA H 1 4.05 0.02 . 1 . . . A 67 ARG HA . 18048 1 554 . 1 1 67 67 ARG C C 13 177.8 0.3 . 1 . . . A 67 ARG C . 18048 1 555 . 1 1 67 67 ARG CA C 13 56.5 0.3 . 1 . . . A 67 ARG CA . 18048 1 556 . 1 1 67 67 ARG CB C 13 25.3 0.3 . 1 . . . A 67 ARG CB . 18048 1 557 . 1 1 67 67 ARG N N 15 122.3 0.3 . 1 . . . A 67 ARG N . 18048 1 558 . 1 1 68 68 LYS H H 1 7.86 0.02 . 1 . . . A 68 LYS H . 18048 1 559 . 1 1 68 68 LYS HA H 1 3.39 0.02 . 1 . . . A 68 LYS HA . 18048 1 560 . 1 1 68 68 LYS HB2 H 1 1.00 0.02 . 2 . . . A 68 LYS HB2 . 18048 1 561 . 1 1 68 68 LYS HB3 H 1 0.64 0.02 . 2 . . . A 68 LYS HB3 . 18048 1 562 . 1 1 68 68 LYS HE2 H 1 2.55 0.02 . 2 . . . A 68 LYS HE2 . 18048 1 563 . 1 1 68 68 LYS HE3 H 1 2.34 0.02 . 2 . . . A 68 LYS HE3 . 18048 1 564 . 1 1 68 68 LYS C C 13 173.8 0.3 . 1 . . . A 68 LYS C . 18048 1 565 . 1 1 68 68 LYS CA C 13 55.5 0.3 . 1 . . . A 68 LYS CA . 18048 1 566 . 1 1 68 68 LYS CB C 13 28.0 0.3 . 1 . . . A 68 LYS CB . 18048 1 567 . 1 1 68 68 LYS CG C 13 23.0 0.3 . 1 . . . A 68 LYS CG . 18048 1 568 . 1 1 68 68 LYS CD C 13 26.0 0.3 . 1 . . . A 68 LYS CD . 18048 1 569 . 1 1 68 68 LYS CE C 13 38.6 0.3 . 1 . . . A 68 LYS CE . 18048 1 570 . 1 1 68 68 LYS N N 15 118.4 0.3 . 1 . . . A 68 LYS N . 18048 1 571 . 1 1 69 69 SER H H 1 7.06 0.02 . 1 . . . A 69 SER H . 18048 1 572 . 1 1 69 69 SER HA H 1 4.20 0.02 . 1 . . . A 69 SER HA . 18048 1 573 . 1 1 69 69 SER HB2 H 1 3.78 0.02 . 2 . . . A 69 SER HB2 . 18048 1 574 . 1 1 69 69 SER HB3 H 1 3.66 0.02 . 2 . . . A 69 SER HB3 . 18048 1 575 . 1 1 69 69 SER C C 13 170.3 0.3 . 1 . . . A 69 SER C . 18048 1 576 . 1 1 69 69 SER CA C 13 55.7 0.3 . 1 . . . A 69 SER CA . 18048 1 577 . 1 1 69 69 SER CB C 13 61.5 0.3 . 1 . . . A 69 SER CB . 18048 1 578 . 1 1 69 69 SER N N 15 114.5 0.3 . 1 . . . A 69 SER N . 18048 1 579 . 1 1 70 70 LEU H H 1 6.62 0.02 . 1 . . . A 70 LEU H . 18048 1 580 . 1 1 70 70 LEU HA H 1 3.64 0.02 . 1 . . . A 70 LEU HA . 18048 1 581 . 1 1 70 70 LEU HB2 H 1 1.12 0.02 . 2 . . . A 70 LEU HB2 . 18048 1 582 . 1 1 70 70 LEU HB3 H 1 0.96 0.02 . 2 . . . A 70 LEU HB3 . 18048 1 583 . 1 1 70 70 LEU HG H 1 0.96 0.02 . 1 . . . A 70 LEU HG . 18048 1 584 . 1 1 70 70 LEU C C 13 179.9 0.3 . 1 . . . A 70 LEU C . 18048 1 585 . 1 1 70 70 LEU CA C 13 54.3 0.3 . 1 . . . A 70 LEU CA . 18048 1 586 . 1 1 70 70 LEU CB C 13 39.8 0.3 . 1 . . . A 70 LEU CB . 18048 1 587 . 1 1 70 70 LEU CG C 13 22.7 0.3 . 1 . . . A 70 LEU CG . 18048 1 588 . 1 1 70 70 LEU CD1 C 13 21.9 0.3 . 1 . . . A 70 LEU CD1 . 18048 1 589 . 1 1 70 70 LEU CD2 C 13 18.5 0.3 . 1 . . . A 70 LEU CD2 . 18048 1 590 . 1 1 70 70 LEU N N 15 127.5 0.3 . 1 . . . A 70 LEU N . 18048 1 stop_ save_