data_19163 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19163 _Entry.Title ; The solution structure of the J-domain of human DnaJA1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-14 _Entry.Accession_date 2013-04-14 _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 Jaime Stark . L. . 19163 2 Kamiya Mehla . . . 19163 3 Nina Chaika . . . 19163 4 Thomas Acton . B. . 19163 5 Rong Xiao . . . 19163 6 Pankaj Singh . K. . 19163 7 Gaetano Montelione . T. . 19163 8 Robert Powers . . . 19163 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 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 19163 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 19163 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19163 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 277 19163 '15N chemical shifts' 63 19163 '1H chemical shifts' 430 19163 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 . . 2014-05-05 2013-04-14 update BMRB 'update entry citation' 19163 1 . . 2013-06-24 2013-04-14 original author 'original release' 19163 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M6Y 'BMRB Entry Tracking System' 19163 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19163 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24512202 _Citation.Full_citation . _Citation.Title 'Structure and function of human DnaJ homologue subfamily a member 1 (DNAJA1) and its relationship to pancreatic cancer.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 53 _Citation.Journal_issue 8 _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 1360 _Citation.Page_last 1372 _Citation.Year 2014 _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 Jaime Stark . L. . 19163 1 2 Kamiya Mehla . . . 19163 1 3 Nina Chaika . . . 19163 1 4 Thomas Acton . B. . 19163 1 5 Rong Xiao . . . 19163 1 6 Pankaj Singh . K. . 19163 1 7 Gaetano Montelione . T. . 19163 1 8 Robert Powers . . . 19163 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19163 _Assembly.ID 1 _Assembly.Name 'J-domain of human DnaJA1' _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 'J-domain of human DnaJA1' 1 $J-domain_of_DnaJA1 A . yes native no no . . . 19163 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_J-domain_of_DnaJA1 _Entity.Sf_category entity _Entity.Sf_framecode J-domain_of_DnaJA1 _Entity.Entry_ID 19163 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name J-domain_of_DnaJA1 _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 ; MGHHHHHHSHMVKETTYYDV LGVKPNATQEELKKAYRKLA LKYHPDKNPNEGEKFKQISQ AYEVLSDAKKRELYDKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-10 represent a non-native affinity tag' _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment J-domain _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9095.388 _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 BMRB 18190 . entity . . . . . 87.01 71 100.00 100.00 1.84e-39 . . . . 19163 1 2 no PDB 2LO1 . "Nmr Structure Of The Protein Bc008182, A Dnaj-like Domain From Homo Sapiens" . . . . . 87.01 71 100.00 100.00 1.84e-39 . . . . 19163 1 3 no PDB 2M6Y . "The Solution Structure Of The J-domain Of Human Dnaja1" . . . . . 100.00 77 100.00 100.00 1.27e-47 . . . . 19163 1 4 no DBJ BAA02656 . "DnaJ protein homolog [Homo sapiens]" . . . . . 87.01 397 100.00 100.00 8.02e-37 . . . . 19163 1 5 no DBJ BAC38744 . "unnamed protein product [Mus musculus]" . . . . . 87.01 397 97.01 100.00 7.26e-36 . . . . 19163 1 6 no DBJ BAC82111 . "DnaJ (Hsp40) homolog, subfamily A, member 1 [Cricetulus griseus]" . . . . . 87.01 397 97.01 100.00 7.26e-36 . . . . 19163 1 7 no DBJ BAD82815 . "DnaJ (Hsp40) homolog, subfamily A, member 1 [Mus musculus]" . . . . . 87.01 397 97.01 100.00 7.26e-36 . . . . 19163 1 8 no DBJ BAE26788 . "unnamed protein product [Mus musculus]" . . . . . 87.01 397 97.01 100.00 7.26e-36 . . . . 19163 1 9 no EMBL CAI29674 . "hypothetical protein [Pongo abelii]" . . . . . 87.01 396 100.00 100.00 7.21e-37 . . . . 19163 1 10 no GB AAA98855 . "DnaJ-like protein [Rattus norvegicus]" . . . . . 87.01 397 97.01 100.00 7.26e-36 . . . . 19163 1 11 no GB AAC37517 . "DNAJ homologue-2 [Homo sapiens]" . . . . . 87.01 397 100.00 100.00 7.54e-37 . . . . 19163 1 12 no GB AAC78597 . "DnaJ-like protein [Mus musculus]" . . . . . 87.01 397 97.01 100.00 7.26e-36 . . . . 19163 1 13 no GB AAH08182 . "DnaJ (Hsp40) homolog, subfamily A, member 1 [Homo sapiens]" . . . . . 87.01 397 100.00 100.00 7.54e-37 . . . . 19163 1 14 no GB AAH57876 . "DnaJ (Hsp40) homolog, subfamily A, member 1 [Mus musculus]" . . . . . 87.01 397 97.01 100.00 7.26e-36 . . . . 19163 1 15 no PIR S34632 . "dnaJ protein homolog - human" . . . . . 87.01 189 100.00 100.00 3.20e-39 . . . . 19163 1 16 no REF NP_001015637 . "dnaJ homolog subfamily A member 1 [Bos taurus]" . . . . . 87.01 397 100.00 100.00 1.14e-36 . . . . 19163 1 17 no REF NP_001127102 . "dnaJ homolog subfamily A member 1 [Pongo abelii]" . . . . . 87.01 396 100.00 100.00 7.21e-37 . . . . 19163 1 18 no REF NP_001158143 . "dnaJ homolog subfamily A member 1 [Mus musculus]" . . . . . 87.01 397 97.01 100.00 7.26e-36 . . . . 19163 1 19 no REF NP_001158144 . "dnaJ homolog subfamily A member 1 [Mus musculus]" . . . . . 87.01 397 97.01 100.00 7.26e-36 . . . . 19163 1 20 no REF NP_001231092 . "dnaJ homolog subfamily A member 1 [Sus scrofa]" . . . . . 87.01 397 100.00 100.00 7.94e-37 . . . . 19163 1 21 no SP P31689 . "RecName: Full=DnaJ homolog subfamily A member 1; AltName: Full=DnaJ protein homolog 2; AltName: Full=HSDJ; AltName: Full=Heat s" . . . . . 87.01 397 100.00 100.00 7.54e-37 . . . . 19163 1 22 no SP P63036 . "RecName: Full=DnaJ homolog subfamily A member 1; AltName: Full=DnaJ-like protein 1; AltName: Full=Heat shock protein J2; Short=" . . . . . 87.01 397 97.01 100.00 7.26e-36 . . . . 19163 1 23 no SP P63037 . "RecName: Full=DnaJ homolog subfamily A member 1; AltName: Full=DnaJ protein homolog 2; AltName: Full=Heat shock 40 kDa protein " . . . . . 87.01 397 97.01 100.00 7.26e-36 . . . . 19163 1 24 no SP Q5E954 . "RecName: Full=DnaJ homolog subfamily A member 1; Flags: Precursor" . . . . . 87.01 397 100.00 100.00 7.78e-37 . . . . 19163 1 25 no SP Q5NVI9 . "RecName: Full=DnaJ homolog subfamily A member 1; Flags: Precursor" . . . . . 87.01 396 100.00 100.00 7.21e-37 . . . . 19163 1 26 no TPG DAA12974 . "TPA: DnaJ (Hsp40) homolog, subfamily A, member 1-like [Bos taurus]" . . . . . 87.01 397 100.00 100.00 7.70e-37 . . . . 19163 1 27 no TPG DAA26671 . "TPA: dnaJ homolog subfamily A member 1 [Bos taurus]" . . . . . 87.01 397 100.00 100.00 7.78e-37 . . . . 19163 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19163 1 2 . GLY . 19163 1 3 . HIS . 19163 1 4 . HIS . 19163 1 5 . HIS . 19163 1 6 . HIS . 19163 1 7 . HIS . 19163 1 8 . HIS . 19163 1 9 . SER . 19163 1 10 . HIS . 19163 1 11 . MET . 19163 1 12 . VAL . 19163 1 13 . LYS . 19163 1 14 . GLU . 19163 1 15 . THR . 19163 1 16 . THR . 19163 1 17 . TYR . 19163 1 18 . TYR . 19163 1 19 . ASP . 19163 1 20 . VAL . 19163 1 21 . LEU . 19163 1 22 . GLY . 19163 1 23 . VAL . 19163 1 24 . LYS . 19163 1 25 . PRO . 19163 1 26 . ASN . 19163 1 27 . ALA . 19163 1 28 . THR . 19163 1 29 . GLN . 19163 1 30 . GLU . 19163 1 31 . GLU . 19163 1 32 . LEU . 19163 1 33 . LYS . 19163 1 34 . LYS . 19163 1 35 . ALA . 19163 1 36 . TYR . 19163 1 37 . ARG . 19163 1 38 . LYS . 19163 1 39 . LEU . 19163 1 40 . ALA . 19163 1 41 . LEU . 19163 1 42 . LYS . 19163 1 43 . TYR . 19163 1 44 . HIS . 19163 1 45 . PRO . 19163 1 46 . ASP . 19163 1 47 . LYS . 19163 1 48 . ASN . 19163 1 49 . PRO . 19163 1 50 . ASN . 19163 1 51 . GLU . 19163 1 52 . GLY . 19163 1 53 . GLU . 19163 1 54 . LYS . 19163 1 55 . PHE . 19163 1 56 . LYS . 19163 1 57 . GLN . 19163 1 58 . ILE . 19163 1 59 . SER . 19163 1 60 . GLN . 19163 1 61 . ALA . 19163 1 62 . TYR . 19163 1 63 . GLU . 19163 1 64 . VAL . 19163 1 65 . LEU . 19163 1 66 . SER . 19163 1 67 . ASP . 19163 1 68 . ALA . 19163 1 69 . LYS . 19163 1 70 . LYS . 19163 1 71 . ARG . 19163 1 72 . GLU . 19163 1 73 . LEU . 19163 1 74 . TYR . 19163 1 75 . ASP . 19163 1 76 . LYS . 19163 1 77 . GLY . 19163 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 19163 1 . GLY 2 2 19163 1 . HIS 3 3 19163 1 . HIS 4 4 19163 1 . HIS 5 5 19163 1 . HIS 6 6 19163 1 . HIS 7 7 19163 1 . HIS 8 8 19163 1 . SER 9 9 19163 1 . HIS 10 10 19163 1 . MET 11 11 19163 1 . VAL 12 12 19163 1 . LYS 13 13 19163 1 . GLU 14 14 19163 1 . THR 15 15 19163 1 . THR 16 16 19163 1 . TYR 17 17 19163 1 . TYR 18 18 19163 1 . ASP 19 19 19163 1 . VAL 20 20 19163 1 . LEU 21 21 19163 1 . GLY 22 22 19163 1 . VAL 23 23 19163 1 . LYS 24 24 19163 1 . PRO 25 25 19163 1 . ASN 26 26 19163 1 . ALA 27 27 19163 1 . THR 28 28 19163 1 . GLN 29 29 19163 1 . GLU 30 30 19163 1 . GLU 31 31 19163 1 . LEU 32 32 19163 1 . LYS 33 33 19163 1 . LYS 34 34 19163 1 . ALA 35 35 19163 1 . TYR 36 36 19163 1 . ARG 37 37 19163 1 . LYS 38 38 19163 1 . LEU 39 39 19163 1 . ALA 40 40 19163 1 . LEU 41 41 19163 1 . LYS 42 42 19163 1 . TYR 43 43 19163 1 . HIS 44 44 19163 1 . PRO 45 45 19163 1 . ASP 46 46 19163 1 . LYS 47 47 19163 1 . ASN 48 48 19163 1 . PRO 49 49 19163 1 . ASN 50 50 19163 1 . GLU 51 51 19163 1 . GLY 52 52 19163 1 . GLU 53 53 19163 1 . LYS 54 54 19163 1 . PHE 55 55 19163 1 . LYS 56 56 19163 1 . GLN 57 57 19163 1 . ILE 58 58 19163 1 . SER 59 59 19163 1 . GLN 60 60 19163 1 . ALA 61 61 19163 1 . TYR 62 62 19163 1 . GLU 63 63 19163 1 . VAL 64 64 19163 1 . LEU 65 65 19163 1 . SER 66 66 19163 1 . ASP 67 67 19163 1 . ALA 68 68 19163 1 . LYS 69 69 19163 1 . LYS 70 70 19163 1 . ARG 71 71 19163 1 . GLU 72 72 19163 1 . LEU 73 73 19163 1 . TYR 74 74 19163 1 . ASP 75 75 19163 1 . LYS 76 76 19163 1 . GLY 77 77 19163 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 19163 _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 $J-domain_of_DnaJA1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19163 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 19163 _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 $J-domain_of_DnaJA1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15_NESG . . . . . . 19163 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_HR3099K.006 _Sample.Sf_category sample _Sample.Sf_framecode HR3099K.006 _Sample.Entry_ID 19163 _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 'J-domain of DnaJA1' '[U-13C; U-15N]' . . 1 $J-domain_of_DnaJA1 . . 1.03 . . mM . . . . 19163 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19163 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19163 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19163 1 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19163 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19163 1 7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19163 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 19163 _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' 125 . mM 19163 1 pH 6.5 . pH 19163 1 pressure 1 . atm 19163 1 temperature 298 . K 19163 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 19163 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19163 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19163 1 'data analysis' 19163 1 'peak picking' 19163 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19163 _Software.ID 2 _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' . . 19163 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19163 2 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 19163 _Software.ID 3 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 19163 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 19163 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19163 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19163 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19163 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19163 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19163 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19163 5 refinement 19163 5 'structure solution' 19163 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_500 _NMR_spectrometer.Entry_ID 19163 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm, triple-resonance, Z-axis gradient cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_Bruker_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_600 _NMR_spectrometer.Entry_ID 19163 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '5 mm, triple-resonance, XYZ-axis gradients TXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19163 _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 Bruker_500 Bruker Avance . 500 '5 mm, triple-resonance, Z-axis gradient cryoprobe' . . 19163 1 2 Bruker_600 Bruker Avance . 600 '5 mm, triple-resonance, XYZ-axis gradients TXI probe' . . 19163 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 19163 _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 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 3 '3D HNCO' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 5 '3D HNCA' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 8 '3D CBCANH' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 9 '3D HNHA' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 11 '3D CC(CO)NH' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 12 '3D HCC(CO)NH' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 14 '3D HCCH-COSY' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_600 . . . . . . . . . . . . . . . . 19163 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $HR3099K.006 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 19163 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 19163 _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 . . . . . . . . . 19163 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19163 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19163 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 19163 _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' . . . 19163 1 2 '2D 1H-13C HSQC' . . . 19163 1 3 '3D HNCO' . . . 19163 1 4 '3D HN(CA)CO' . . . 19163 1 5 '3D HNCA' . . . 19163 1 6 '3D HN(CO)CA' . . . 19163 1 7 '3D CBCA(CO)NH' . . . 19163 1 8 '3D CBCANH' . . . 19163 1 9 '3D HNHA' . . . 19163 1 10 '3D HBHA(CO)NH' . . . 19163 1 11 '3D CC(CO)NH' . . . 19163 1 12 '3D HCC(CO)NH' . . . 19163 1 13 '3D HCCH-TOCSY' . . . 19163 1 14 '3D HCCH-COSY' . . . 19163 1 15 '3D 1H-15N NOESY' . . . 19163 1 16 '3D 1H-13C NOESY' . . . 19163 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 11 11 MET HA H 1 4.346 0.013 . 1 . . . A 11 MET HA . 19163 1 2 . 1 1 11 11 MET HB2 H 1 1.920 0.015 . 2 . . . A 11 MET HB2 . 19163 1 3 . 1 1 11 11 MET HB3 H 1 1.830 0.000 . 2 . . . A 11 MET HB3 . 19163 1 4 . 1 1 11 11 MET HG2 H 1 2.342 0.021 . 2 . . . A 11 MET HG2 . 19163 1 5 . 1 1 11 11 MET HG3 H 1 2.369 0.005 . 2 . . . A 11 MET HG3 . 19163 1 6 . 1 1 11 11 MET C C 13 175.801 0.000 . 1 . . . A 11 MET C . 19163 1 7 . 1 1 11 11 MET CA C 13 55.614 0.044 . 1 . . . A 11 MET CA . 19163 1 8 . 1 1 11 11 MET CB C 13 32.925 0.019 . 1 . . . A 11 MET CB . 19163 1 9 . 1 1 11 11 MET CG C 13 31.965 0.000 . 1 . . . A 11 MET CG . 19163 1 10 . 1 1 12 12 VAL H H 1 7.988 0.006 . 1 . . . A 12 VAL H . 19163 1 11 . 1 1 12 12 VAL HA H 1 4.026 0.014 . 1 . . . A 12 VAL HA . 19163 1 12 . 1 1 12 12 VAL HB H 1 1.964 0.013 . 1 . . . A 12 VAL HB . 19163 1 13 . 1 1 12 12 VAL HG11 H 1 0.812 0.010 . 1 . . . A 12 VAL HG11 . 19163 1 14 . 1 1 12 12 VAL HG12 H 1 0.812 0.010 . 1 . . . A 12 VAL HG12 . 19163 1 15 . 1 1 12 12 VAL HG13 H 1 0.812 0.010 . 1 . . . A 12 VAL HG13 . 19163 1 16 . 1 1 12 12 VAL HG21 H 1 0.812 0.009 . 1 . . . A 12 VAL HG21 . 19163 1 17 . 1 1 12 12 VAL HG22 H 1 0.812 0.009 . 1 . . . A 12 VAL HG22 . 19163 1 18 . 1 1 12 12 VAL HG23 H 1 0.812 0.009 . 1 . . . A 12 VAL HG23 . 19163 1 19 . 1 1 12 12 VAL C C 13 175.701 0.009 . 1 . . . A 12 VAL C . 19163 1 20 . 1 1 12 12 VAL CA C 13 62.188 0.039 . 1 . . . A 12 VAL CA . 19163 1 21 . 1 1 12 12 VAL CB C 13 32.882 0.031 . 1 . . . A 12 VAL CB . 19163 1 22 . 1 1 12 12 VAL CG1 C 13 21.096 0.000 . 1 . . . A 12 VAL CG1 . 19163 1 23 . 1 1 12 12 VAL CG2 C 13 21.096 0.000 . 1 . . . A 12 VAL CG2 . 19163 1 24 . 1 1 12 12 VAL N N 15 121.226 0.027 . 1 . . . A 12 VAL N . 19163 1 25 . 1 1 13 13 LYS H H 1 8.281 0.014 . 1 . . . A 13 LYS H . 19163 1 26 . 1 1 13 13 LYS HA H 1 4.211 0.012 . 1 . . . A 13 LYS HA . 19163 1 27 . 1 1 13 13 LYS HB2 H 1 1.666 0.014 . 2 . . . A 13 LYS HB2 . 19163 1 28 . 1 1 13 13 LYS HB3 H 1 1.680 0.011 . 2 . . . A 13 LYS HB3 . 19163 1 29 . 1 1 13 13 LYS HG2 H 1 1.341 0.010 . 1 . . . A 13 LYS HG2 . 19163 1 30 . 1 1 13 13 LYS HG3 H 1 1.342 0.011 . 1 . . . A 13 LYS HG3 . 19163 1 31 . 1 1 13 13 LYS HE2 H 1 2.896 0.001 . 1 . . . A 13 LYS HE2 . 19163 1 32 . 1 1 13 13 LYS HE3 H 1 2.896 0.001 . 1 . . . A 13 LYS HE3 . 19163 1 33 . 1 1 13 13 LYS C C 13 176.121 0.011 . 1 . . . A 13 LYS C . 19163 1 34 . 1 1 13 13 LYS CA C 13 56.355 0.076 . 1 . . . A 13 LYS CA . 19163 1 35 . 1 1 13 13 LYS CB C 13 33.019 0.081 . 1 . . . A 13 LYS CB . 19163 1 36 . 1 1 13 13 LYS CG C 13 24.680 0.109 . 1 . . . A 13 LYS CG . 19163 1 37 . 1 1 13 13 LYS CD C 13 29.218 0.000 . 1 . . . A 13 LYS CD . 19163 1 38 . 1 1 13 13 LYS CE C 13 42.145 0.000 . 1 . . . A 13 LYS CE . 19163 1 39 . 1 1 13 13 LYS N N 15 125.255 0.032 . 1 . . . A 13 LYS N . 19163 1 40 . 1 1 14 14 GLU H H 1 8.424 0.014 . 1 . . . A 14 GLU H . 19163 1 41 . 1 1 14 14 GLU HA H 1 4.305 0.009 . 1 . . . A 14 GLU HA . 19163 1 42 . 1 1 14 14 GLU HB2 H 1 1.860 0.016 . 2 . . . A 14 GLU HB2 . 19163 1 43 . 1 1 14 14 GLU HB3 H 1 1.922 0.015 . 2 . . . A 14 GLU HB3 . 19163 1 44 . 1 1 14 14 GLU HG2 H 1 2.156 0.012 . 1 . . . A 14 GLU HG2 . 19163 1 45 . 1 1 14 14 GLU HG3 H 1 2.156 0.012 . 1 . . . A 14 GLU HG3 . 19163 1 46 . 1 1 14 14 GLU C C 13 176.107 0.004 . 1 . . . A 14 GLU C . 19163 1 47 . 1 1 14 14 GLU CA C 13 56.343 0.042 . 1 . . . A 14 GLU CA . 19163 1 48 . 1 1 14 14 GLU CB C 13 30.534 0.078 . 1 . . . A 14 GLU CB . 19163 1 49 . 1 1 14 14 GLU CG C 13 36.124 0.049 . 1 . . . A 14 GLU CG . 19163 1 50 . 1 1 14 14 GLU N N 15 123.004 0.036 . 1 . . . A 14 GLU N . 19163 1 51 . 1 1 15 15 THR H H 1 8.335 0.019 . 1 . . . A 15 THR H . 19163 1 52 . 1 1 15 15 THR HA H 1 4.538 0.019 . 1 . . . A 15 THR HA . 19163 1 53 . 1 1 15 15 THR HB H 1 4.263 0.015 . 1 . . . A 15 THR HB . 19163 1 54 . 1 1 15 15 THR HG21 H 1 1.156 0.004 . 1 . . . A 15 THR HG21 . 19163 1 55 . 1 1 15 15 THR HG22 H 1 1.156 0.004 . 1 . . . A 15 THR HG22 . 19163 1 56 . 1 1 15 15 THR HG23 H 1 1.156 0.004 . 1 . . . A 15 THR HG23 . 19163 1 57 . 1 1 15 15 THR C C 13 175.233 0.006 . 1 . . . A 15 THR C . 19163 1 58 . 1 1 15 15 THR CA C 13 61.981 0.051 . 1 . . . A 15 THR CA . 19163 1 59 . 1 1 15 15 THR CB C 13 69.865 0.052 . 1 . . . A 15 THR CB . 19163 1 60 . 1 1 15 15 THR CG2 C 13 21.750 0.066 . 1 . . . A 15 THR CG2 . 19163 1 61 . 1 1 15 15 THR N N 15 115.895 0.040 . 1 . . . A 15 THR N . 19163 1 62 . 1 1 16 16 THR H H 1 8.798 0.016 . 1 . . . A 16 THR H . 19163 1 63 . 1 1 16 16 THR HA H 1 4.366 0.016 . 1 . . . A 16 THR HA . 19163 1 64 . 1 1 16 16 THR HB H 1 4.637 0.011 . 1 . . . A 16 THR HB . 19163 1 65 . 1 1 16 16 THR HG21 H 1 1.314 0.007 . 1 . . . A 16 THR HG21 . 19163 1 66 . 1 1 16 16 THR HG22 H 1 1.314 0.007 . 1 . . . A 16 THR HG22 . 19163 1 67 . 1 1 16 16 THR HG23 H 1 1.314 0.007 . 1 . . . A 16 THR HG23 . 19163 1 68 . 1 1 16 16 THR C C 13 176.090 0.033 . 1 . . . A 16 THR C . 19163 1 69 . 1 1 16 16 THR CA C 13 62.172 0.059 . 1 . . . A 16 THR CA . 19163 1 70 . 1 1 16 16 THR CB C 13 71.997 0.075 . 1 . . . A 16 THR CB . 19163 1 71 . 1 1 16 16 THR CG2 C 13 21.517 0.071 . 1 . . . A 16 THR CG2 . 19163 1 72 . 1 1 16 16 THR N N 15 116.992 0.032 . 1 . . . A 16 THR N . 19163 1 73 . 1 1 17 17 TYR H H 1 8.292 0.010 . 1 . . . A 17 TYR H . 19163 1 74 . 1 1 17 17 TYR HA H 1 4.329 0.011 . 1 . . . A 17 TYR HA . 19163 1 75 . 1 1 17 17 TYR HB2 H 1 1.985 0.010 . 2 . . . A 17 TYR HB2 . 19163 1 76 . 1 1 17 17 TYR HB3 H 1 2.625 0.012 . 2 . . . A 17 TYR HB3 . 19163 1 77 . 1 1 17 17 TYR C C 13 177.105 0.005 . 1 . . . A 17 TYR C . 19163 1 78 . 1 1 17 17 TYR CA C 13 57.577 0.050 . 1 . . . A 17 TYR CA . 19163 1 79 . 1 1 17 17 TYR CB C 13 37.113 0.064 . 1 . . . A 17 TYR CB . 19163 1 80 . 1 1 17 17 TYR N N 15 117.617 0.026 . 1 . . . A 17 TYR N . 19163 1 81 . 1 1 18 18 TYR H H 1 7.047 0.026 . 1 . . . A 18 TYR H . 19163 1 82 . 1 1 18 18 TYR HA H 1 3.775 0.008 . 1 . . . A 18 TYR HA . 19163 1 83 . 1 1 18 18 TYR HB2 H 1 3.031 0.018 . 2 . . . A 18 TYR HB2 . 19163 1 84 . 1 1 18 18 TYR HB3 H 1 2.700 0.018 . 2 . . . A 18 TYR HB3 . 19163 1 85 . 1 1 18 18 TYR HD1 H 1 6.140 0.003 . 3 . . . A 18 TYR HD1 . 19163 1 86 . 1 1 18 18 TYR HD2 H 1 6.140 0.003 . 3 . . . A 18 TYR HD2 . 19163 1 87 . 1 1 18 18 TYR C C 13 177.771 0.003 . 1 . . . A 18 TYR C . 19163 1 88 . 1 1 18 18 TYR CA C 13 61.430 0.051 . 1 . . . A 18 TYR CA . 19163 1 89 . 1 1 18 18 TYR CB C 13 36.495 0.071 . 1 . . . A 18 TYR CB . 19163 1 90 . 1 1 18 18 TYR N N 15 115.048 0.022 . 1 . . . A 18 TYR N . 19163 1 91 . 1 1 19 19 ASP H H 1 7.685 0.011 . 1 . . . A 19 ASP H . 19163 1 92 . 1 1 19 19 ASP HA H 1 4.406 0.014 . 1 . . . A 19 ASP HA . 19163 1 93 . 1 1 19 19 ASP HB2 H 1 2.716 0.014 . 2 . . . A 19 ASP HB2 . 19163 1 94 . 1 1 19 19 ASP HB3 H 1 3.024 0.014 . 2 . . . A 19 ASP HB3 . 19163 1 95 . 1 1 19 19 ASP C C 13 180.128 0.009 . 1 . . . A 19 ASP C . 19163 1 96 . 1 1 19 19 ASP CA C 13 57.475 0.075 . 1 . . . A 19 ASP CA . 19163 1 97 . 1 1 19 19 ASP CB C 13 40.659 0.048 . 1 . . . A 19 ASP CB . 19163 1 98 . 1 1 19 19 ASP N N 15 119.520 0.024 . 1 . . . A 19 ASP N . 19163 1 99 . 1 1 20 20 VAL H H 1 8.004 0.018 . 1 . . . A 20 VAL H . 19163 1 100 . 1 1 20 20 VAL HA H 1 3.608 0.008 . 1 . . . A 20 VAL HA . 19163 1 101 . 1 1 20 20 VAL HB H 1 2.142 0.009 . 1 . . . A 20 VAL HB . 19163 1 102 . 1 1 20 20 VAL HG11 H 1 0.805 0.012 . 2 . . . A 20 VAL HG11 . 19163 1 103 . 1 1 20 20 VAL HG12 H 1 0.805 0.012 . 2 . . . A 20 VAL HG12 . 19163 1 104 . 1 1 20 20 VAL HG13 H 1 0.805 0.012 . 2 . . . A 20 VAL HG13 . 19163 1 105 . 1 1 20 20 VAL HG21 H 1 1.026 0.006 . 2 . . . A 20 VAL HG21 . 19163 1 106 . 1 1 20 20 VAL HG22 H 1 1.026 0.006 . 2 . . . A 20 VAL HG22 . 19163 1 107 . 1 1 20 20 VAL HG23 H 1 1.026 0.006 . 2 . . . A 20 VAL HG23 . 19163 1 108 . 1 1 20 20 VAL C C 13 177.026 0.007 . 1 . . . A 20 VAL C . 19163 1 109 . 1 1 20 20 VAL CA C 13 65.840 0.060 . 1 . . . A 20 VAL CA . 19163 1 110 . 1 1 20 20 VAL CB C 13 31.530 0.052 . 1 . . . A 20 VAL CB . 19163 1 111 . 1 1 20 20 VAL CG1 C 13 22.648 0.038 . 1 . . . A 20 VAL CG1 . 19163 1 112 . 1 1 20 20 VAL CG2 C 13 22.648 0.038 . 1 . . . A 20 VAL CG2 . 19163 1 113 . 1 1 20 20 VAL N N 15 119.772 0.034 . 1 . . . A 20 VAL N . 19163 1 114 . 1 1 21 21 LEU H H 1 6.847 0.007 . 1 . . . A 21 LEU H . 19163 1 115 . 1 1 21 21 LEU HA H 1 4.281 0.012 . 1 . . . A 21 LEU HA . 19163 1 116 . 1 1 21 21 LEU HB2 H 1 1.586 0.012 . 2 . . . A 21 LEU HB2 . 19163 1 117 . 1 1 21 21 LEU HB3 H 1 1.707 0.015 . 2 . . . A 21 LEU HB3 . 19163 1 118 . 1 1 21 21 LEU HG H 1 1.725 0.026 . 1 . . . A 21 LEU HG . 19163 1 119 . 1 1 21 21 LEU HD11 H 1 0.799 0.010 . 2 . . . A 21 LEU HD11 . 19163 1 120 . 1 1 21 21 LEU HD12 H 1 0.799 0.010 . 2 . . . A 21 LEU HD12 . 19163 1 121 . 1 1 21 21 LEU HD13 H 1 0.799 0.010 . 2 . . . A 21 LEU HD13 . 19163 1 122 . 1 1 21 21 LEU HD21 H 1 0.940 0.017 . 2 . . . A 21 LEU HD21 . 19163 1 123 . 1 1 21 21 LEU HD22 H 1 0.940 0.017 . 2 . . . A 21 LEU HD22 . 19163 1 124 . 1 1 21 21 LEU HD23 H 1 0.940 0.017 . 2 . . . A 21 LEU HD23 . 19163 1 125 . 1 1 21 21 LEU C C 13 175.757 0.016 . 1 . . . A 21 LEU C . 19163 1 126 . 1 1 21 21 LEU CA C 13 54.554 0.053 . 1 . . . A 21 LEU CA . 19163 1 127 . 1 1 21 21 LEU CB C 13 42.869 0.066 . 1 . . . A 21 LEU CB . 19163 1 128 . 1 1 21 21 LEU CG C 13 26.921 0.000 . 1 . . . A 21 LEU CG . 19163 1 129 . 1 1 21 21 LEU CD1 C 13 23.626 0.073 . 1 . . . A 21 LEU CD1 . 19163 1 130 . 1 1 21 21 LEU CD2 C 13 23.626 0.073 . 1 . . . A 21 LEU CD2 . 19163 1 131 . 1 1 21 21 LEU N N 15 115.252 0.021 . 1 . . . A 21 LEU N . 19163 1 132 . 1 1 22 22 GLY H H 1 7.874 0.004 . 1 . . . A 22 GLY H . 19163 1 133 . 1 1 22 22 GLY HA2 H 1 3.910 0.009 . 1 . . . A 22 GLY HA2 . 19163 1 134 . 1 1 22 22 GLY HA3 H 1 3.910 0.008 . 1 . . . A 22 GLY HA3 . 19163 1 135 . 1 1 22 22 GLY C C 13 175.361 0.003 . 1 . . . A 22 GLY C . 19163 1 136 . 1 1 22 22 GLY CA C 13 46.574 0.056 . 1 . . . A 22 GLY CA . 19163 1 137 . 1 1 22 22 GLY N N 15 108.227 0.021 . 1 . . . A 22 GLY N . 19163 1 138 . 1 1 23 23 VAL H H 1 7.815 0.011 . 1 . . . A 23 VAL H . 19163 1 139 . 1 1 23 23 VAL HA H 1 4.767 0.019 . 1 . . . A 23 VAL HA . 19163 1 140 . 1 1 23 23 VAL HB H 1 2.411 0.009 . 1 . . . A 23 VAL HB . 19163 1 141 . 1 1 23 23 VAL HG11 H 1 0.747 0.005 . 2 . . . A 23 VAL HG11 . 19163 1 142 . 1 1 23 23 VAL HG12 H 1 0.747 0.005 . 2 . . . A 23 VAL HG12 . 19163 1 143 . 1 1 23 23 VAL HG13 H 1 0.747 0.005 . 2 . . . A 23 VAL HG13 . 19163 1 144 . 1 1 23 23 VAL HG21 H 1 0.905 0.013 . 2 . . . A 23 VAL HG21 . 19163 1 145 . 1 1 23 23 VAL HG22 H 1 0.905 0.013 . 2 . . . A 23 VAL HG22 . 19163 1 146 . 1 1 23 23 VAL HG23 H 1 0.905 0.013 . 2 . . . A 23 VAL HG23 . 19163 1 147 . 1 1 23 23 VAL C C 13 174.674 0.004 . 1 . . . A 23 VAL C . 19163 1 148 . 1 1 23 23 VAL CA C 13 58.349 0.067 . 1 . . . A 23 VAL CA . 19163 1 149 . 1 1 23 23 VAL CB C 13 34.938 0.083 . 1 . . . A 23 VAL CB . 19163 1 150 . 1 1 23 23 VAL CG1 C 13 21.544 0.059 . 2 . . . A 23 VAL CG1 . 19163 1 151 . 1 1 23 23 VAL CG2 C 13 19.315 0.065 . 2 . . . A 23 VAL CG2 . 19163 1 152 . 1 1 23 23 VAL N N 15 110.675 0.040 . 1 . . . A 23 VAL N . 19163 1 153 . 1 1 24 24 LYS H H 1 8.329 0.013 . 1 . . . A 24 LYS H . 19163 1 154 . 1 1 24 24 LYS HA H 1 4.488 0.013 . 1 . . . A 24 LYS HA . 19163 1 155 . 1 1 24 24 LYS HB2 H 1 1.616 0.013 . 2 . . . A 24 LYS HB2 . 19163 1 156 . 1 1 24 24 LYS HB3 H 1 1.761 0.009 . 2 . . . A 24 LYS HB3 . 19163 1 157 . 1 1 24 24 LYS HG2 H 1 1.750 0.005 . 1 . . . A 24 LYS HG2 . 19163 1 158 . 1 1 24 24 LYS HG3 H 1 1.750 0.005 . 1 . . . A 24 LYS HG3 . 19163 1 159 . 1 1 24 24 LYS C C 13 175.442 0.000 . 1 . . . A 24 LYS C . 19163 1 160 . 1 1 24 24 LYS CA C 13 54.001 0.109 . 1 . . . A 24 LYS CA . 19163 1 161 . 1 1 24 24 LYS CB C 13 32.197 0.065 . 1 . . . A 24 LYS CB . 19163 1 162 . 1 1 24 24 LYS N N 15 119.948 0.023 . 1 . . . A 24 LYS N . 19163 1 163 . 1 1 25 25 PRO HA H 1 2.421 0.009 . 1 . . . A 25 PRO HA . 19163 1 164 . 1 1 25 25 PRO HB2 H 1 1.470 0.020 . 2 . . . A 25 PRO HB2 . 19163 1 165 . 1 1 25 25 PRO HB3 H 1 1.739 0.032 . 2 . . . A 25 PRO HB3 . 19163 1 166 . 1 1 25 25 PRO HD2 H 1 3.407 0.015 . 2 . . . A 25 PRO HD2 . 19163 1 167 . 1 1 25 25 PRO HD3 H 1 3.607 0.022 . 2 . . . A 25 PRO HD3 . 19163 1 168 . 1 1 25 25 PRO C C 13 175.635 0.000 . 1 . . . A 25 PRO C . 19163 1 169 . 1 1 25 25 PRO CA C 13 63.362 0.064 . 1 . . . A 25 PRO CA . 19163 1 170 . 1 1 25 25 PRO CB C 13 31.839 0.045 . 1 . . . A 25 PRO CB . 19163 1 171 . 1 1 25 25 PRO CG C 13 27.984 0.000 . 1 . . . A 25 PRO CG . 19163 1 172 . 1 1 25 25 PRO CD C 13 50.181 0.033 . 1 . . . A 25 PRO CD . 19163 1 173 . 1 1 26 26 ASN H H 1 7.138 0.007 . 1 . . . A 26 ASN H . 19163 1 174 . 1 1 26 26 ASN HA H 1 4.518 0.009 . 1 . . . A 26 ASN HA . 19163 1 175 . 1 1 26 26 ASN HB2 H 1 2.975 0.011 . 2 . . . A 26 ASN HB2 . 19163 1 176 . 1 1 26 26 ASN HB3 H 1 2.525 0.009 . 2 . . . A 26 ASN HB3 . 19163 1 177 . 1 1 26 26 ASN HD21 H 1 7.216 0.000 . 1 . . . A 26 ASN HD21 . 19163 1 178 . 1 1 26 26 ASN HD22 H 1 7.062 0.000 . 1 . . . A 26 ASN HD22 . 19163 1 179 . 1 1 26 26 ASN C C 13 175.820 0.000 . 1 . . . A 26 ASN C . 19163 1 180 . 1 1 26 26 ASN CA C 13 51.525 0.069 . 1 . . . A 26 ASN CA . 19163 1 181 . 1 1 26 26 ASN CB C 13 36.829 0.108 . 1 . . . A 26 ASN CB . 19163 1 182 . 1 1 26 26 ASN N N 15 111.739 0.024 . 1 . . . A 26 ASN N . 19163 1 183 . 1 1 27 27 ALA H H 1 7.637 0.008 . 1 . . . A 27 ALA H . 19163 1 184 . 1 1 27 27 ALA HA H 1 4.325 0.011 . 1 . . . A 27 ALA HA . 19163 1 185 . 1 1 27 27 ALA HB1 H 1 1.480 0.010 . 1 . . . A 27 ALA HB1 . 19163 1 186 . 1 1 27 27 ALA HB2 H 1 1.480 0.010 . 1 . . . A 27 ALA HB2 . 19163 1 187 . 1 1 27 27 ALA HB3 H 1 1.480 0.010 . 1 . . . A 27 ALA HB3 . 19163 1 188 . 1 1 27 27 ALA C C 13 178.726 0.006 . 1 . . . A 27 ALA C . 19163 1 189 . 1 1 27 27 ALA CA C 13 52.961 0.065 . 1 . . . A 27 ALA CA . 19163 1 190 . 1 1 27 27 ALA CB C 13 19.159 0.062 . 1 . . . A 27 ALA CB . 19163 1 191 . 1 1 27 27 ALA N N 15 122.829 0.018 . 1 . . . A 27 ALA N . 19163 1 192 . 1 1 28 28 THR H H 1 8.829 0.014 . 1 . . . A 28 THR H . 19163 1 193 . 1 1 28 28 THR HA H 1 4.493 0.014 . 1 . . . A 28 THR HA . 19163 1 194 . 1 1 28 28 THR HB H 1 4.778 0.040 . 1 . . . A 28 THR HB . 19163 1 195 . 1 1 28 28 THR HG21 H 1 1.365 0.008 . 1 . . . A 28 THR HG21 . 19163 1 196 . 1 1 28 28 THR HG22 H 1 1.365 0.008 . 1 . . . A 28 THR HG22 . 19163 1 197 . 1 1 28 28 THR HG23 H 1 1.365 0.008 . 1 . . . A 28 THR HG23 . 19163 1 198 . 1 1 28 28 THR C C 13 175.641 0.007 . 1 . . . A 28 THR C . 19163 1 199 . 1 1 28 28 THR CA C 13 60.592 0.049 . 1 . . . A 28 THR CA . 19163 1 200 . 1 1 28 28 THR CB C 13 71.304 0.050 . 1 . . . A 28 THR CB . 19163 1 201 . 1 1 28 28 THR CG2 C 13 21.890 0.056 . 1 . . . A 28 THR CG2 . 19163 1 202 . 1 1 28 28 THR N N 15 113.468 0.021 . 1 . . . A 28 THR N . 19163 1 203 . 1 1 29 29 GLN H H 1 9.015 0.012 . 1 . . . A 29 GLN H . 19163 1 204 . 1 1 29 29 GLN HA H 1 4.035 0.020 . 1 . . . A 29 GLN HA . 19163 1 205 . 1 1 29 29 GLN HB2 H 1 2.111 0.019 . 1 . . . A 29 GLN HB2 . 19163 1 206 . 1 1 29 29 GLN HB3 H 1 2.111 0.019 . 1 . . . A 29 GLN HB3 . 19163 1 207 . 1 1 29 29 GLN HG2 H 1 2.453 0.014 . 1 . . . A 29 GLN HG2 . 19163 1 208 . 1 1 29 29 GLN HG3 H 1 2.453 0.014 . 1 . . . A 29 GLN HG3 . 19163 1 209 . 1 1 29 29 GLN C C 13 179.117 0.011 . 1 . . . A 29 GLN C . 19163 1 210 . 1 1 29 29 GLN CA C 13 59.435 0.054 . 1 . . . A 29 GLN CA . 19163 1 211 . 1 1 29 29 GLN CB C 13 27.851 0.078 . 1 . . . A 29 GLN CB . 19163 1 212 . 1 1 29 29 GLN CG C 13 33.360 0.078 . 1 . . . A 29 GLN CG . 19163 1 213 . 1 1 29 29 GLN N N 15 119.445 0.025 . 1 . . . A 29 GLN N . 19163 1 214 . 1 1 30 30 GLU H H 1 8.549 0.013 . 1 . . . A 30 GLU H . 19163 1 215 . 1 1 30 30 GLU HA H 1 4.059 0.013 . 1 . . . A 30 GLU HA . 19163 1 216 . 1 1 30 30 GLU HB2 H 1 2.062 0.008 . 2 . . . A 30 GLU HB2 . 19163 1 217 . 1 1 30 30 GLU HB3 H 1 1.934 0.012 . 2 . . . A 30 GLU HB3 . 19163 1 218 . 1 1 30 30 GLU HG2 H 1 2.301 0.008 . 1 . . . A 30 GLU HG2 . 19163 1 219 . 1 1 30 30 GLU HG3 H 1 2.301 0.008 . 1 . . . A 30 GLU HG3 . 19163 1 220 . 1 1 30 30 GLU C C 13 179.097 0.002 . 1 . . . A 30 GLU C . 19163 1 221 . 1 1 30 30 GLU CA C 13 59.847 0.040 . 1 . . . A 30 GLU CA . 19163 1 222 . 1 1 30 30 GLU CB C 13 29.356 0.034 . 1 . . . A 30 GLU CB . 19163 1 223 . 1 1 30 30 GLU CG C 13 36.371 0.074 . 1 . . . A 30 GLU CG . 19163 1 224 . 1 1 30 30 GLU N N 15 119.343 0.019 . 1 . . . A 30 GLU N . 19163 1 225 . 1 1 31 31 GLU H H 1 7.768 0.012 . 1 . . . A 31 GLU H . 19163 1 226 . 1 1 31 31 GLU HA H 1 3.906 0.009 . 1 . . . A 31 GLU HA . 19163 1 227 . 1 1 31 31 GLU HB2 H 1 2.402 0.014 . 2 . . . A 31 GLU HB2 . 19163 1 228 . 1 1 31 31 GLU HB3 H 1 1.958 0.014 . 2 . . . A 31 GLU HB3 . 19163 1 229 . 1 1 31 31 GLU HG2 H 1 2.240 0.019 . 1 . . . A 31 GLU HG2 . 19163 1 230 . 1 1 31 31 GLU HG3 H 1 2.240 0.019 . 1 . . . A 31 GLU HG3 . 19163 1 231 . 1 1 31 31 GLU C C 13 180.405 0.009 . 1 . . . A 31 GLU C . 19163 1 232 . 1 1 31 31 GLU CA C 13 59.592 0.035 . 1 . . . A 31 GLU CA . 19163 1 233 . 1 1 31 31 GLU CB C 13 29.989 0.080 . 1 . . . A 31 GLU CB . 19163 1 234 . 1 1 31 31 GLU CG C 13 37.592 0.038 . 1 . . . A 31 GLU CG . 19163 1 235 . 1 1 31 31 GLU N N 15 120.562 0.038 . 1 . . . A 31 GLU N . 19163 1 236 . 1 1 32 32 LEU H H 1 8.475 0.011 . 1 . . . A 32 LEU H . 19163 1 237 . 1 1 32 32 LEU HA H 1 3.963 0.028 . 1 . . . A 32 LEU HA . 19163 1 238 . 1 1 32 32 LEU HB2 H 1 1.258 0.012 . 2 . . . A 32 LEU HB2 . 19163 1 239 . 1 1 32 32 LEU HB3 H 1 2.188 0.015 . 2 . . . A 32 LEU HB3 . 19163 1 240 . 1 1 32 32 LEU HG H 1 0.635 0.010 . 1 . . . A 32 LEU HG . 19163 1 241 . 1 1 32 32 LEU HD11 H 1 1.782 0.015 . 2 . . . A 32 LEU HD11 . 19163 1 242 . 1 1 32 32 LEU HD12 H 1 1.782 0.015 . 2 . . . A 32 LEU HD12 . 19163 1 243 . 1 1 32 32 LEU HD13 H 1 1.782 0.015 . 2 . . . A 32 LEU HD13 . 19163 1 244 . 1 1 32 32 LEU HD21 H 1 0.759 0.012 . 2 . . . A 32 LEU HD21 . 19163 1 245 . 1 1 32 32 LEU HD22 H 1 0.759 0.012 . 2 . . . A 32 LEU HD22 . 19163 1 246 . 1 1 32 32 LEU HD23 H 1 0.759 0.012 . 2 . . . A 32 LEU HD23 . 19163 1 247 . 1 1 32 32 LEU C C 13 177.873 0.006 . 1 . . . A 32 LEU C . 19163 1 248 . 1 1 32 32 LEU CA C 13 58.593 0.068 . 1 . . . A 32 LEU CA . 19163 1 249 . 1 1 32 32 LEU CB C 13 42.556 0.066 . 1 . . . A 32 LEU CB . 19163 1 250 . 1 1 32 32 LEU CG C 13 26.758 0.043 . 1 . . . A 32 LEU CG . 19163 1 251 . 1 1 32 32 LEU N N 15 120.518 0.018 . 1 . . . A 32 LEU N . 19163 1 252 . 1 1 33 33 LYS H H 1 8.077 0.006 . 1 . . . A 33 LYS H . 19163 1 253 . 1 1 33 33 LYS HA H 1 4.000 0.014 . 1 . . . A 33 LYS HA . 19163 1 254 . 1 1 33 33 LYS HB2 H 1 1.988 0.010 . 1 . . . A 33 LYS HB2 . 19163 1 255 . 1 1 33 33 LYS HB3 H 1 1.988 0.010 . 1 . . . A 33 LYS HB3 . 19163 1 256 . 1 1 33 33 LYS HE2 H 1 2.922 0.008 . 1 . . . A 33 LYS HE2 . 19163 1 257 . 1 1 33 33 LYS HE3 H 1 2.922 0.008 . 1 . . . A 33 LYS HE3 . 19163 1 258 . 1 1 33 33 LYS C C 13 178.701 0.007 . 1 . . . A 33 LYS C . 19163 1 259 . 1 1 33 33 LYS CA C 13 60.274 0.038 . 1 . . . A 33 LYS CA . 19163 1 260 . 1 1 33 33 LYS CB C 13 32.656 0.060 . 1 . . . A 33 LYS CB . 19163 1 261 . 1 1 33 33 LYS CG C 13 25.208 0.000 . 1 . . . A 33 LYS CG . 19163 1 262 . 1 1 33 33 LYS CD C 13 29.895 0.000 . 1 . . . A 33 LYS CD . 19163 1 263 . 1 1 33 33 LYS CE C 13 42.097 0.035 . 1 . . . A 33 LYS CE . 19163 1 264 . 1 1 33 33 LYS N N 15 119.091 0.024 . 1 . . . A 33 LYS N . 19163 1 265 . 1 1 34 34 LYS H H 1 7.986 0.002 . 1 . . . A 34 LYS H . 19163 1 266 . 1 1 34 34 LYS HA H 1 3.890 0.010 . 1 . . . A 34 LYS HA . 19163 1 267 . 1 1 34 34 LYS HB2 H 1 1.815 0.021 . 1 . . . A 34 LYS HB2 . 19163 1 268 . 1 1 34 34 LYS HB3 H 1 1.815 0.021 . 1 . . . A 34 LYS HB3 . 19163 1 269 . 1 1 34 34 LYS C C 13 179.172 0.003 . 1 . . . A 34 LYS C . 19163 1 270 . 1 1 34 34 LYS CA C 13 59.927 0.039 . 1 . . . A 34 LYS CA . 19163 1 271 . 1 1 34 34 LYS CB C 13 32.869 0.067 . 1 . . . A 34 LYS CB . 19163 1 272 . 1 1 34 34 LYS CG C 13 25.857 0.000 . 1 . . . A 34 LYS CG . 19163 1 273 . 1 1 34 34 LYS CD C 13 29.722 0.000 . 1 . . . A 34 LYS CD . 19163 1 274 . 1 1 34 34 LYS CE C 13 42.123 0.000 . 1 . . . A 34 LYS CE . 19163 1 275 . 1 1 34 34 LYS N N 15 118.527 0.029 . 1 . . . A 34 LYS N . 19163 1 276 . 1 1 35 35 ALA H H 1 7.917 0.005 . 1 . . . A 35 ALA H . 19163 1 277 . 1 1 35 35 ALA HA H 1 4.116 0.016 . 1 . . . A 35 ALA HA . 19163 1 278 . 1 1 35 35 ALA HB1 H 1 1.601 0.011 . 1 . . . A 35 ALA HB1 . 19163 1 279 . 1 1 35 35 ALA HB2 H 1 1.601 0.011 . 1 . . . A 35 ALA HB2 . 19163 1 280 . 1 1 35 35 ALA HB3 H 1 1.601 0.011 . 1 . . . A 35 ALA HB3 . 19163 1 281 . 1 1 35 35 ALA C C 13 179.982 0.007 . 1 . . . A 35 ALA C . 19163 1 282 . 1 1 35 35 ALA CA C 13 55.157 0.074 . 1 . . . A 35 ALA CA . 19163 1 283 . 1 1 35 35 ALA CB C 13 18.773 0.063 . 1 . . . A 35 ALA CB . 19163 1 284 . 1 1 35 35 ALA N N 15 122.190 0.025 . 1 . . . A 35 ALA N . 19163 1 285 . 1 1 36 36 TYR H H 1 8.402 0.010 . 1 . . . A 36 TYR H . 19163 1 286 . 1 1 36 36 TYR HA H 1 3.818 0.008 . 1 . . . A 36 TYR HA . 19163 1 287 . 1 1 36 36 TYR HB2 H 1 2.397 0.008 . 2 . . . A 36 TYR HB2 . 19163 1 288 . 1 1 36 36 TYR HB3 H 1 2.508 0.012 . 2 . . . A 36 TYR HB3 . 19163 1 289 . 1 1 36 36 TYR C C 13 176.344 0.003 . 1 . . . A 36 TYR C . 19163 1 290 . 1 1 36 36 TYR CA C 13 61.468 0.051 . 1 . . . A 36 TYR CA . 19163 1 291 . 1 1 36 36 TYR CB C 13 38.890 0.083 . 1 . . . A 36 TYR CB . 19163 1 292 . 1 1 36 36 TYR N N 15 117.701 0.028 . 1 . . . A 36 TYR N . 19163 1 293 . 1 1 37 37 ARG H H 1 8.264 0.006 . 1 . . . A 37 ARG H . 19163 1 294 . 1 1 37 37 ARG HA H 1 3.481 0.009 . 1 . . . A 37 ARG HA . 19163 1 295 . 1 1 37 37 ARG HB2 H 1 1.813 0.018 . 2 . . . A 37 ARG HB2 . 19163 1 296 . 1 1 37 37 ARG HB3 H 1 1.765 0.015 . 2 . . . A 37 ARG HB3 . 19163 1 297 . 1 1 37 37 ARG HG2 H 1 1.583 0.020 . 1 . . . A 37 ARG HG2 . 19163 1 298 . 1 1 37 37 ARG HG3 H 1 1.583 0.020 . 1 . . . A 37 ARG HG3 . 19163 1 299 . 1 1 37 37 ARG HD2 H 1 3.088 0.022 . 1 . . . A 37 ARG HD2 . 19163 1 300 . 1 1 37 37 ARG HD3 H 1 3.088 0.022 . 1 . . . A 37 ARG HD3 . 19163 1 301 . 1 1 37 37 ARG C C 13 178.825 0.006 . 1 . . . A 37 ARG C . 19163 1 302 . 1 1 37 37 ARG CA C 13 59.397 0.070 . 1 . . . A 37 ARG CA . 19163 1 303 . 1 1 37 37 ARG CB C 13 29.710 0.022 . 1 . . . A 37 ARG CB . 19163 1 304 . 1 1 37 37 ARG CD C 13 43.465 0.000 . 1 . . . A 37 ARG CD . 19163 1 305 . 1 1 37 37 ARG N N 15 117.423 0.027 . 1 . . . A 37 ARG N . 19163 1 306 . 1 1 38 38 LYS H H 1 7.444 0.007 . 1 . . . A 38 LYS H . 19163 1 307 . 1 1 38 38 LYS HA H 1 3.905 0.015 . 1 . . . A 38 LYS HA . 19163 1 308 . 1 1 38 38 LYS HB2 H 1 1.854 0.011 . 1 . . . A 38 LYS HB2 . 19163 1 309 . 1 1 38 38 LYS HB3 H 1 1.854 0.010 . 1 . . . A 38 LYS HB3 . 19163 1 310 . 1 1 38 38 LYS C C 13 179.444 0.004 . 1 . . . A 38 LYS C . 19163 1 311 . 1 1 38 38 LYS CA C 13 59.450 0.017 . 1 . . . A 38 LYS CA . 19163 1 312 . 1 1 38 38 LYS CB C 13 32.609 0.037 . 1 . . . A 38 LYS CB . 19163 1 313 . 1 1 38 38 LYS CG C 13 25.200 0.000 . 1 . . . A 38 LYS CG . 19163 1 314 . 1 1 38 38 LYS CD C 13 29.646 0.000 . 1 . . . A 38 LYS CD . 19163 1 315 . 1 1 38 38 LYS CE C 13 42.050 0.000 . 1 . . . A 38 LYS CE . 19163 1 316 . 1 1 38 38 LYS N N 15 117.247 0.038 . 1 . . . A 38 LYS N . 19163 1 317 . 1 1 39 39 LEU H H 1 7.707 0.009 . 1 . . . A 39 LEU H . 19163 1 318 . 1 1 39 39 LEU HA H 1 4.020 0.009 . 1 . . . A 39 LEU HA . 19163 1 319 . 1 1 39 39 LEU HB2 H 1 1.858 0.009 . 2 . . . A 39 LEU HB2 . 19163 1 320 . 1 1 39 39 LEU HB3 H 1 1.491 0.015 . 2 . . . A 39 LEU HB3 . 19163 1 321 . 1 1 39 39 LEU HG H 1 0.998 0.014 . 1 . . . A 39 LEU HG . 19163 1 322 . 1 1 39 39 LEU HD11 H 1 0.954 0.014 . 1 . . . A 39 LEU HD11 . 19163 1 323 . 1 1 39 39 LEU HD12 H 1 0.954 0.014 . 1 . . . A 39 LEU HD12 . 19163 1 324 . 1 1 39 39 LEU HD13 H 1 0.954 0.014 . 1 . . . A 39 LEU HD13 . 19163 1 325 . 1 1 39 39 LEU HD21 H 1 0.954 0.014 . 1 . . . A 39 LEU HD21 . 19163 1 326 . 1 1 39 39 LEU HD22 H 1 0.954 0.014 . 1 . . . A 39 LEU HD22 . 19163 1 327 . 1 1 39 39 LEU HD23 H 1 0.954 0.014 . 1 . . . A 39 LEU HD23 . 19163 1 328 . 1 1 39 39 LEU C C 13 178.801 0.009 . 1 . . . A 39 LEU C . 19163 1 329 . 1 1 39 39 LEU CA C 13 57.409 0.035 . 1 . . . A 39 LEU CA . 19163 1 330 . 1 1 39 39 LEU CB C 13 42.388 0.055 . 1 . . . A 39 LEU CB . 19163 1 331 . 1 1 39 39 LEU CG C 13 26.958 0.075 . 1 . . . A 39 LEU CG . 19163 1 332 . 1 1 39 39 LEU CD1 C 13 22.943 0.089 . 1 . . . A 39 LEU CD1 . 19163 1 333 . 1 1 39 39 LEU CD2 C 13 22.943 0.089 . 1 . . . A 39 LEU CD2 . 19163 1 334 . 1 1 39 39 LEU N N 15 119.901 0.024 . 1 . . . A 39 LEU N . 19163 1 335 . 1 1 40 40 ALA H H 1 8.931 0.012 . 1 . . . A 40 ALA H . 19163 1 336 . 1 1 40 40 ALA HA H 1 3.849 0.009 . 1 . . . A 40 ALA HA . 19163 1 337 . 1 1 40 40 ALA HB1 H 1 0.971 0.012 . 1 . . . A 40 ALA HB1 . 19163 1 338 . 1 1 40 40 ALA HB2 H 1 0.971 0.012 . 1 . . . A 40 ALA HB2 . 19163 1 339 . 1 1 40 40 ALA HB3 H 1 0.971 0.012 . 1 . . . A 40 ALA HB3 . 19163 1 340 . 1 1 40 40 ALA C C 13 179.446 0.004 . 1 . . . A 40 ALA C . 19163 1 341 . 1 1 40 40 ALA CA C 13 55.109 0.034 . 1 . . . A 40 ALA CA . 19163 1 342 . 1 1 40 40 ALA CB C 13 17.116 0.053 . 1 . . . A 40 ALA CB . 19163 1 343 . 1 1 40 40 ALA N N 15 122.772 0.020 . 1 . . . A 40 ALA N . 19163 1 344 . 1 1 41 41 LEU H H 1 7.133 0.009 . 1 . . . A 41 LEU H . 19163 1 345 . 1 1 41 41 LEU HA H 1 3.977 0.011 . 1 . . . A 41 LEU HA . 19163 1 346 . 1 1 41 41 LEU HB2 H 1 1.677 0.012 . 2 . . . A 41 LEU HB2 . 19163 1 347 . 1 1 41 41 LEU HB3 H 1 1.454 0.010 . 2 . . . A 41 LEU HB3 . 19163 1 348 . 1 1 41 41 LEU HG H 1 1.677 0.013 . 1 . . . A 41 LEU HG . 19163 1 349 . 1 1 41 41 LEU HD11 H 1 0.764 0.024 . 1 . . . A 41 LEU HD11 . 19163 1 350 . 1 1 41 41 LEU HD12 H 1 0.802 0.008 . 2 . . . A 41 LEU HD12 . 19163 1 351 . 1 1 41 41 LEU HD13 H 1 0.764 0.024 . 1 . . . A 41 LEU HD13 . 19163 1 352 . 1 1 41 41 LEU HD21 H 1 0.767 0.018 . 2 . . . A 41 LEU HD21 . 19163 1 353 . 1 1 41 41 LEU HD22 H 1 0.767 0.018 . 2 . . . A 41 LEU HD22 . 19163 1 354 . 1 1 41 41 LEU HD23 H 1 0.767 0.018 . 2 . . . A 41 LEU HD23 . 19163 1 355 . 1 1 41 41 LEU C C 13 178.216 0.007 . 1 . . . A 41 LEU C . 19163 1 356 . 1 1 41 41 LEU CA C 13 57.088 0.027 . 1 . . . A 41 LEU CA . 19163 1 357 . 1 1 41 41 LEU CB C 13 42.162 0.055 . 1 . . . A 41 LEU CB . 19163 1 358 . 1 1 41 41 LEU CG C 13 26.753 0.057 . 1 . . . A 41 LEU CG . 19163 1 359 . 1 1 41 41 LEU CD1 C 13 24.867 0.080 . 2 . . . A 41 LEU CD1 . 19163 1 360 . 1 1 41 41 LEU CD2 C 13 23.425 0.056 . 2 . . . A 41 LEU CD2 . 19163 1 361 . 1 1 41 41 LEU N N 15 115.299 0.018 . 1 . . . A 41 LEU N . 19163 1 362 . 1 1 42 42 LYS H H 1 7.038 0.010 . 1 . . . A 42 LYS H . 19163 1 363 . 1 1 42 42 LYS HA H 1 3.925 0.011 . 1 . . . A 42 LYS HA . 19163 1 364 . 1 1 42 42 LYS HB2 H 1 1.293 0.024 . 2 . . . A 42 LYS HB2 . 19163 1 365 . 1 1 42 42 LYS HB3 H 1 1.377 0.026 . 2 . . . A 42 LYS HB3 . 19163 1 366 . 1 1 42 42 LYS HG2 H 1 0.669 0.015 . 2 . . . A 42 LYS HG2 . 19163 1 367 . 1 1 42 42 LYS HG3 H 1 1.065 0.014 . 2 . . . A 42 LYS HG3 . 19163 1 368 . 1 1 42 42 LYS HD2 H 1 1.398 0.008 . 1 . . . A 42 LYS HD2 . 19163 1 369 . 1 1 42 42 LYS HD3 H 1 1.398 0.008 . 1 . . . A 42 LYS HD3 . 19163 1 370 . 1 1 42 42 LYS HE2 H 1 2.785 0.008 . 1 . . . A 42 LYS HE2 . 19163 1 371 . 1 1 42 42 LYS HE3 H 1 2.785 0.008 . 1 . . . A 42 LYS HE3 . 19163 1 372 . 1 1 42 42 LYS C C 13 177.560 0.002 . 1 . . . A 42 LYS C . 19163 1 373 . 1 1 42 42 LYS CA C 13 57.885 0.038 . 1 . . . A 42 LYS CA . 19163 1 374 . 1 1 42 42 LYS CB C 13 33.427 0.074 . 1 . . . A 42 LYS CB . 19163 1 375 . 1 1 42 42 LYS CG C 13 24.653 0.072 . 1 . . . A 42 LYS CG . 19163 1 376 . 1 1 42 42 LYS CD C 13 29.530 0.000 . 1 . . . A 42 LYS CD . 19163 1 377 . 1 1 42 42 LYS CE C 13 41.977 0.076 . 1 . . . A 42 LYS CE . 19163 1 378 . 1 1 42 42 LYS N N 15 116.812 0.019 . 1 . . . A 42 LYS N . 19163 1 379 . 1 1 43 43 TYR H H 1 7.683 0.012 . 1 . . . A 43 TYR H . 19163 1 380 . 1 1 43 43 TYR HA H 1 4.665 0.023 . 1 . . . A 43 TYR HA . 19163 1 381 . 1 1 43 43 TYR HB2 H 1 2.493 0.009 . 2 . . . A 43 TYR HB2 . 19163 1 382 . 1 1 43 43 TYR HB3 H 1 3.337 0.012 . 2 . . . A 43 TYR HB3 . 19163 1 383 . 1 1 43 43 TYR C C 13 173.741 0.007 . 1 . . . A 43 TYR C . 19163 1 384 . 1 1 43 43 TYR CA C 13 56.928 0.044 . 1 . . . A 43 TYR CA . 19163 1 385 . 1 1 43 43 TYR CB C 13 39.579 0.091 . 1 . . . A 43 TYR CB . 19163 1 386 . 1 1 43 43 TYR N N 15 114.022 0.043 . 1 . . . A 43 TYR N . 19163 1 387 . 1 1 44 44 HIS H H 1 7.814 0.012 . 1 . . . A 44 HIS H . 19163 1 388 . 1 1 44 44 HIS HA H 1 3.697 0.006 . 1 . . . A 44 HIS HA . 19163 1 389 . 1 1 44 44 HIS HB2 H 1 2.655 0.008 . 2 . . . A 44 HIS HB2 . 19163 1 390 . 1 1 44 44 HIS HB3 H 1 3.180 0.012 . 2 . . . A 44 HIS HB3 . 19163 1 391 . 1 1 44 44 HIS C C 13 174.925 0.000 . 1 . . . A 44 HIS C . 19163 1 392 . 1 1 44 44 HIS CA C 13 56.229 0.066 . 1 . . . A 44 HIS CA . 19163 1 393 . 1 1 44 44 HIS CB C 13 30.852 0.042 . 1 . . . A 44 HIS CB . 19163 1 394 . 1 1 44 44 HIS N N 15 120.947 0.047 . 1 . . . A 44 HIS N . 19163 1 395 . 1 1 45 45 PRO HA H 1 4.131 0.010 . 1 . . . A 45 PRO HA . 19163 1 396 . 1 1 45 45 PRO HB2 H 1 1.737 0.010 . 2 . . . A 45 PRO HB2 . 19163 1 397 . 1 1 45 45 PRO HB3 H 1 2.055 0.012 . 2 . . . A 45 PRO HB3 . 19163 1 398 . 1 1 45 45 PRO HG2 H 1 1.508 0.013 . 2 . . . A 45 PRO HG2 . 19163 1 399 . 1 1 45 45 PRO HG3 H 1 1.512 0.006 . 2 . . . A 45 PRO HG3 . 19163 1 400 . 1 1 45 45 PRO HD2 H 1 2.505 0.022 . 1 . . . A 45 PRO HD2 . 19163 1 401 . 1 1 45 45 PRO HD3 H 1 2.505 0.022 . 1 . . . A 45 PRO HD3 . 19163 1 402 . 1 1 45 45 PRO C C 13 177.269 0.006 . 1 . . . A 45 PRO C . 19163 1 403 . 1 1 45 45 PRO CA C 13 64.723 0.047 . 1 . . . A 45 PRO CA . 19163 1 404 . 1 1 45 45 PRO CB C 13 32.070 0.065 . 1 . . . A 45 PRO CB . 19163 1 405 . 1 1 45 45 PRO CD C 13 50.188 0.040 . 1 . . . A 45 PRO CD . 19163 1 406 . 1 1 46 46 ASP H H 1 10.040 0.020 . 1 . . . A 46 ASP H . 19163 1 407 . 1 1 46 46 ASP HA H 1 4.375 0.023 . 1 . . . A 46 ASP HA . 19163 1 408 . 1 1 46 46 ASP HB2 H 1 2.586 0.015 . 1 . . . A 46 ASP HB2 . 19163 1 409 . 1 1 46 46 ASP HB3 H 1 2.586 0.015 . 1 . . . A 46 ASP HB3 . 19163 1 410 . 1 1 46 46 ASP C C 13 177.284 0.005 . 1 . . . A 46 ASP C . 19163 1 411 . 1 1 46 46 ASP CA C 13 56.020 0.059 . 1 . . . A 46 ASP CA . 19163 1 412 . 1 1 46 46 ASP CB C 13 40.221 0.083 . 1 . . . A 46 ASP CB . 19163 1 413 . 1 1 46 46 ASP N N 15 119.127 0.050 . 1 . . . A 46 ASP N . 19163 1 414 . 1 1 47 47 LYS H H 1 7.826 0.010 . 1 . . . A 47 LYS H . 19163 1 415 . 1 1 47 47 LYS HA H 1 4.315 0.012 . 1 . . . A 47 LYS HA . 19163 1 416 . 1 1 47 47 LYS HB2 H 1 1.694 0.012 . 2 . . . A 47 LYS HB2 . 19163 1 417 . 1 1 47 47 LYS HB3 H 1 1.771 0.039 . 2 . . . A 47 LYS HB3 . 19163 1 418 . 1 1 47 47 LYS HG2 H 1 1.344 0.000 . 1 . . . A 47 LYS HG2 . 19163 1 419 . 1 1 47 47 LYS HG3 H 1 1.344 0.000 . 1 . . . A 47 LYS HG3 . 19163 1 420 . 1 1 47 47 LYS C C 13 176.355 0.004 . 1 . . . A 47 LYS C . 19163 1 421 . 1 1 47 47 LYS CA C 13 55.880 0.021 . 1 . . . A 47 LYS CA . 19163 1 422 . 1 1 47 47 LYS CB C 13 33.778 0.076 . 1 . . . A 47 LYS CB . 19163 1 423 . 1 1 47 47 LYS CG C 13 24.610 0.000 . 1 . . . A 47 LYS CG . 19163 1 424 . 1 1 47 47 LYS CD C 13 28.436 0.000 . 1 . . . A 47 LYS CD . 19163 1 425 . 1 1 47 47 LYS CE C 13 42.175 0.000 . 1 . . . A 47 LYS CE . 19163 1 426 . 1 1 47 47 LYS N N 15 117.416 0.050 . 1 . . . A 47 LYS N . 19163 1 427 . 1 1 48 48 ASN H H 1 7.956 0.009 . 1 . . . A 48 ASN H . 19163 1 428 . 1 1 48 48 ASN HA H 1 5.021 0.010 . 1 . . . A 48 ASN HA . 19163 1 429 . 1 1 48 48 ASN HB2 H 1 2.592 0.012 . 2 . . . A 48 ASN HB2 . 19163 1 430 . 1 1 48 48 ASN HB3 H 1 2.788 0.009 . 2 . . . A 48 ASN HB3 . 19163 1 431 . 1 1 48 48 ASN HD21 H 1 7.998 0.024 . 1 . . . A 48 ASN HD21 . 19163 1 432 . 1 1 48 48 ASN HD22 H 1 7.947 0.051 . 1 . . . A 48 ASN HD22 . 19163 1 433 . 1 1 48 48 ASN C C 13 172.992 0.000 . 1 . . . A 48 ASN C . 19163 1 434 . 1 1 48 48 ASN CA C 13 50.467 0.064 . 1 . . . A 48 ASN CA . 19163 1 435 . 1 1 48 48 ASN CB C 13 39.284 0.060 . 1 . . . A 48 ASN CB . 19163 1 436 . 1 1 48 48 ASN N N 15 116.573 0.034 . 1 . . . A 48 ASN N . 19163 1 437 . 1 1 49 49 PRO HA H 1 4.448 0.014 . 1 . . . A 49 PRO HA . 19163 1 438 . 1 1 49 49 PRO HB2 H 1 2.339 0.008 . 2 . . . A 49 PRO HB2 . 19163 1 439 . 1 1 49 49 PRO HB3 H 1 1.955 0.018 . 2 . . . A 49 PRO HB3 . 19163 1 440 . 1 1 49 49 PRO HG2 H 1 1.981 0.016 . 2 . . . A 49 PRO HG2 . 19163 1 441 . 1 1 49 49 PRO HG3 H 1 1.916 0.023 . 2 . . . A 49 PRO HG3 . 19163 1 442 . 1 1 49 49 PRO HD2 H 1 3.748 0.010 . 2 . . . A 49 PRO HD2 . 19163 1 443 . 1 1 49 49 PRO HD3 H 1 3.491 0.010 . 2 . . . A 49 PRO HD3 . 19163 1 444 . 1 1 49 49 PRO C C 13 178.030 0.003 . 1 . . . A 49 PRO C . 19163 1 445 . 1 1 49 49 PRO CA C 13 64.468 0.070 . 1 . . . A 49 PRO CA . 19163 1 446 . 1 1 49 49 PRO CB C 13 32.173 0.085 . 1 . . . A 49 PRO CB . 19163 1 447 . 1 1 49 49 PRO CG C 13 26.856 0.067 . 1 . . . A 49 PRO CG . 19163 1 448 . 1 1 49 49 PRO CD C 13 50.675 0.045 . 1 . . . A 49 PRO CD . 19163 1 449 . 1 1 50 50 ASN H H 1 8.398 0.009 . 1 . . . A 50 ASN H . 19163 1 450 . 1 1 50 50 ASN HA H 1 4.748 0.038 . 1 . . . A 50 ASN HA . 19163 1 451 . 1 1 50 50 ASN HB2 H 1 2.810 0.006 . 2 . . . A 50 ASN HB2 . 19163 1 452 . 1 1 50 50 ASN HB3 H 1 2.913 0.013 . 2 . . . A 50 ASN HB3 . 19163 1 453 . 1 1 50 50 ASN C C 13 176.443 0.010 . 1 . . . A 50 ASN C . 19163 1 454 . 1 1 50 50 ASN CA C 13 54.677 0.043 . 1 . . . A 50 ASN CA . 19163 1 455 . 1 1 50 50 ASN CB C 13 39.014 0.048 . 1 . . . A 50 ASN CB . 19163 1 456 . 1 1 50 50 ASN N N 15 115.567 0.041 . 1 . . . A 50 ASN N . 19163 1 457 . 1 1 51 51 GLU H H 1 7.485 0.017 . 1 . . . A 51 GLU H . 19163 1 458 . 1 1 51 51 GLU HA H 1 4.797 0.031 . 1 . . . A 51 GLU HA . 19163 1 459 . 1 1 51 51 GLU HB2 H 1 1.785 0.011 . 2 . . . A 51 GLU HB2 . 19163 1 460 . 1 1 51 51 GLU HB3 H 1 2.456 0.018 . 2 . . . A 51 GLU HB3 . 19163 1 461 . 1 1 51 51 GLU HG2 H 1 2.122 0.011 . 2 . . . A 51 GLU HG2 . 19163 1 462 . 1 1 51 51 GLU HG3 H 1 2.367 0.011 . 2 . . . A 51 GLU HG3 . 19163 1 463 . 1 1 51 51 GLU C C 13 176.922 0.006 . 1 . . . A 51 GLU C . 19163 1 464 . 1 1 51 51 GLU CA C 13 55.916 0.055 . 1 . . . A 51 GLU CA . 19163 1 465 . 1 1 51 51 GLU CB C 13 29.200 0.068 . 1 . . . A 51 GLU CB . 19163 1 466 . 1 1 51 51 GLU CG C 13 35.411 0.087 . 1 . . . A 51 GLU CG . 19163 1 467 . 1 1 51 51 GLU N N 15 119.270 0.021 . 1 . . . A 51 GLU N . 19163 1 468 . 1 1 52 52 GLY H H 1 8.092 0.007 . 1 . . . A 52 GLY H . 19163 1 469 . 1 1 52 52 GLY HA2 H 1 3.972 0.011 . 2 . . . A 52 GLY HA2 . 19163 1 470 . 1 1 52 52 GLY HA3 H 1 3.813 0.016 . 2 . . . A 52 GLY HA3 . 19163 1 471 . 1 1 52 52 GLY C C 13 176.755 0.003 . 1 . . . A 52 GLY C . 19163 1 472 . 1 1 52 52 GLY CA C 13 47.914 0.050 . 1 . . . A 52 GLY CA . 19163 1 473 . 1 1 52 52 GLY N N 15 107.541 0.023 . 1 . . . A 52 GLY N . 19163 1 474 . 1 1 53 53 GLU H H 1 8.496 0.005 . 1 . . . A 53 GLU H . 19163 1 475 . 1 1 53 53 GLU HA H 1 4.065 0.013 . 1 . . . A 53 GLU HA . 19163 1 476 . 1 1 53 53 GLU HB2 H 1 1.971 0.010 . 1 . . . A 53 GLU HB2 . 19163 1 477 . 1 1 53 53 GLU HB3 H 1 1.969 0.010 . 1 . . . A 53 GLU HB3 . 19163 1 478 . 1 1 53 53 GLU HG2 H 1 2.218 0.015 . 1 . . . A 53 GLU HG2 . 19163 1 479 . 1 1 53 53 GLU HG3 H 1 2.218 0.015 . 1 . . . A 53 GLU HG3 . 19163 1 480 . 1 1 53 53 GLU C C 13 179.052 0.005 . 1 . . . A 53 GLU C . 19163 1 481 . 1 1 53 53 GLU CA C 13 59.280 0.040 . 1 . . . A 53 GLU CA . 19163 1 482 . 1 1 53 53 GLU CB C 13 28.968 0.083 . 1 . . . A 53 GLU CB . 19163 1 483 . 1 1 53 53 GLU CG C 13 36.256 0.077 . 1 . . . A 53 GLU CG . 19163 1 484 . 1 1 53 53 GLU N N 15 121.603 0.027 . 1 . . . A 53 GLU N . 19163 1 485 . 1 1 54 54 LYS H H 1 7.857 0.009 . 1 . . . A 54 LYS H . 19163 1 486 . 1 1 54 54 LYS HA H 1 3.923 0.015 . 1 . . . A 54 LYS HA . 19163 1 487 . 1 1 54 54 LYS HB2 H 1 1.526 0.010 . 2 . . . A 54 LYS HB2 . 19163 1 488 . 1 1 54 54 LYS HB3 H 1 1.245 0.010 . 2 . . . A 54 LYS HB3 . 19163 1 489 . 1 1 54 54 LYS HG2 H 1 0.977 0.007 . 2 . . . A 54 LYS HG2 . 19163 1 490 . 1 1 54 54 LYS HG3 H 1 1.166 0.010 . 2 . . . A 54 LYS HG3 . 19163 1 491 . 1 1 54 54 LYS HD2 H 1 1.293 0.004 . 1 . . . A 54 LYS HD2 . 19163 1 492 . 1 1 54 54 LYS HD3 H 1 1.293 0.004 . 1 . . . A 54 LYS HD3 . 19163 1 493 . 1 1 54 54 LYS HE2 H 1 2.740 0.012 . 1 . . . A 54 LYS HE2 . 19163 1 494 . 1 1 54 54 LYS HE3 H 1 2.740 0.012 . 1 . . . A 54 LYS HE3 . 19163 1 495 . 1 1 54 54 LYS C C 13 179.058 0.004 . 1 . . . A 54 LYS C . 19163 1 496 . 1 1 54 54 LYS CA C 13 58.800 0.054 . 1 . . . A 54 LYS CA . 19163 1 497 . 1 1 54 54 LYS CB C 13 31.551 0.068 . 1 . . . A 54 LYS CB . 19163 1 498 . 1 1 54 54 LYS CG C 13 24.805 0.083 . 1 . . . A 54 LYS CG . 19163 1 499 . 1 1 54 54 LYS CD C 13 28.686 0.083 . 1 . . . A 54 LYS CD . 19163 1 500 . 1 1 54 54 LYS CE C 13 41.998 0.058 . 1 . . . A 54 LYS CE . 19163 1 501 . 1 1 54 54 LYS N N 15 120.837 0.035 . 1 . . . A 54 LYS N . 19163 1 502 . 1 1 55 55 PHE H H 1 8.382 0.009 . 1 . . . A 55 PHE H . 19163 1 503 . 1 1 55 55 PHE HA H 1 4.021 0.013 . 1 . . . A 55 PHE HA . 19163 1 504 . 1 1 55 55 PHE HB2 H 1 2.939 0.010 . 2 . . . A 55 PHE HB2 . 19163 1 505 . 1 1 55 55 PHE HB3 H 1 3.296 0.015 . 2 . . . A 55 PHE HB3 . 19163 1 506 . 1 1 55 55 PHE C C 13 178.001 0.006 . 1 . . . A 55 PHE C . 19163 1 507 . 1 1 55 55 PHE CA C 13 61.911 0.049 . 1 . . . A 55 PHE CA . 19163 1 508 . 1 1 55 55 PHE CB C 13 38.553 0.065 . 1 . . . A 55 PHE CB . 19163 1 509 . 1 1 55 55 PHE N N 15 118.608 0.029 . 1 . . . A 55 PHE N . 19163 1 510 . 1 1 56 56 LYS H H 1 8.111 0.011 . 1 . . . A 56 LYS H . 19163 1 511 . 1 1 56 56 LYS HA H 1 3.828 0.015 . 1 . . . A 56 LYS HA . 19163 1 512 . 1 1 56 56 LYS HB2 H 1 1.879 0.010 . 1 . . . A 56 LYS HB2 . 19163 1 513 . 1 1 56 56 LYS HB3 H 1 1.879 0.010 . 1 . . . A 56 LYS HB3 . 19163 1 514 . 1 1 56 56 LYS HG2 H 1 1.354 0.004 . 1 . . . A 56 LYS HG2 . 19163 1 515 . 1 1 56 56 LYS HG3 H 1 1.354 0.004 . 1 . . . A 56 LYS HG3 . 19163 1 516 . 1 1 56 56 LYS HD2 H 1 1.579 0.000 . 1 . . . A 56 LYS HD2 . 19163 1 517 . 1 1 56 56 LYS HD3 H 1 1.579 0.000 . 1 . . . A 56 LYS HD3 . 19163 1 518 . 1 1 56 56 LYS HE2 H 1 2.881 0.000 . 1 . . . A 56 LYS HE2 . 19163 1 519 . 1 1 56 56 LYS HE3 H 1 2.881 0.000 . 1 . . . A 56 LYS HE3 . 19163 1 520 . 1 1 56 56 LYS C C 13 178.817 0.027 . 1 . . . A 56 LYS C . 19163 1 521 . 1 1 56 56 LYS CA C 13 59.877 0.083 . 1 . . . A 56 LYS CA . 19163 1 522 . 1 1 56 56 LYS CB C 13 32.133 0.084 . 1 . . . A 56 LYS CB . 19163 1 523 . 1 1 56 56 LYS CG C 13 25.291 0.025 . 1 . . . A 56 LYS CG . 19163 1 524 . 1 1 56 56 LYS CE C 13 42.066 0.000 . 1 . . . A 56 LYS CE . 19163 1 525 . 1 1 56 56 LYS N N 15 120.898 0.024 . 1 . . . A 56 LYS N . 19163 1 526 . 1 1 57 57 GLN H H 1 7.613 0.007 . 1 . . . A 57 GLN H . 19163 1 527 . 1 1 57 57 GLN HA H 1 4.009 0.016 . 1 . . . A 57 GLN HA . 19163 1 528 . 1 1 57 57 GLN HB2 H 1 2.089 0.015 . 2 . . . A 57 GLN HB2 . 19163 1 529 . 1 1 57 57 GLN HB3 H 1 2.140 0.022 . 2 . . . A 57 GLN HB3 . 19163 1 530 . 1 1 57 57 GLN HG2 H 1 2.281 0.008 . 2 . . . A 57 GLN HG2 . 19163 1 531 . 1 1 57 57 GLN HG3 H 1 2.512 0.017 . 2 . . . A 57 GLN HG3 . 19163 1 532 . 1 1 57 57 GLN C C 13 179.333 0.015 . 1 . . . A 57 GLN C . 19163 1 533 . 1 1 57 57 GLN CA C 13 59.109 0.087 . 1 . . . A 57 GLN CA . 19163 1 534 . 1 1 57 57 GLN CB C 13 28.595 0.099 . 1 . . . A 57 GLN CB . 19163 1 535 . 1 1 57 57 GLN CG C 13 33.967 0.067 . 1 . . . A 57 GLN CG . 19163 1 536 . 1 1 57 57 GLN N N 15 118.600 0.030 . 1 . . . A 57 GLN N . 19163 1 537 . 1 1 58 58 ILE H H 1 8.011 0.015 . 1 . . . A 58 ILE H . 19163 1 538 . 1 1 58 58 ILE HA H 1 3.559 0.014 . 1 . . . A 58 ILE HA . 19163 1 539 . 1 1 58 58 ILE HB H 1 1.664 0.014 . 1 . . . A 58 ILE HB . 19163 1 540 . 1 1 58 58 ILE HG12 H 1 1.613 0.011 . 2 . . . A 58 ILE HG12 . 19163 1 541 . 1 1 58 58 ILE HG13 H 1 1.144 0.014 . 2 . . . A 58 ILE HG13 . 19163 1 542 . 1 1 58 58 ILE HG21 H 1 0.880 0.020 . 1 . . . A 58 ILE HG21 . 19163 1 543 . 1 1 58 58 ILE HG22 H 1 0.880 0.020 . 1 . . . A 58 ILE HG22 . 19163 1 544 . 1 1 58 58 ILE HG23 H 1 0.880 0.020 . 1 . . . A 58 ILE HG23 . 19163 1 545 . 1 1 58 58 ILE HD11 H 1 0.730 0.016 . 1 . . . A 58 ILE HD11 . 19163 1 546 . 1 1 58 58 ILE HD12 H 1 0.730 0.016 . 1 . . . A 58 ILE HD12 . 19163 1 547 . 1 1 58 58 ILE HD13 H 1 0.730 0.016 . 1 . . . A 58 ILE HD13 . 19163 1 548 . 1 1 58 58 ILE C C 13 177.152 0.006 . 1 . . . A 58 ILE C . 19163 1 549 . 1 1 58 58 ILE CA C 13 65.068 0.055 . 1 . . . A 58 ILE CA . 19163 1 550 . 1 1 58 58 ILE CB C 13 38.381 0.058 . 1 . . . A 58 ILE CB . 19163 1 551 . 1 1 58 58 ILE CG1 C 13 28.756 0.067 . 1 . . . A 58 ILE CG1 . 19163 1 552 . 1 1 58 58 ILE CG2 C 13 18.275 0.066 . 1 . . . A 58 ILE CG2 . 19163 1 553 . 1 1 58 58 ILE CD1 C 13 15.790 0.057 . 1 . . . A 58 ILE CD1 . 19163 1 554 . 1 1 58 58 ILE N N 15 118.709 0.039 . 1 . . . A 58 ILE N . 19163 1 555 . 1 1 59 59 SER H H 1 8.030 0.004 . 1 . . . A 59 SER H . 19163 1 556 . 1 1 59 59 SER HA H 1 3.948 0.017 . 1 . . . A 59 SER HA . 19163 1 557 . 1 1 59 59 SER HB2 H 1 3.597 0.017 . 2 . . . A 59 SER HB2 . 19163 1 558 . 1 1 59 59 SER HB3 H 1 3.656 0.015 . 2 . . . A 59 SER HB3 . 19163 1 559 . 1 1 59 59 SER HG H 1 6.346 0.000 . 1 . . . A 59 SER HG . 19163 1 560 . 1 1 59 59 SER C C 13 175.949 0.011 . 1 . . . A 59 SER C . 19163 1 561 . 1 1 59 59 SER CA C 13 62.315 0.094 . 1 . . . A 59 SER CA . 19163 1 562 . 1 1 59 59 SER N N 15 116.112 0.026 . 1 . . . A 59 SER N . 19163 1 563 . 1 1 60 60 GLN H H 1 7.933 0.010 . 1 . . . A 60 GLN H . 19163 1 564 . 1 1 60 60 GLN HA H 1 3.801 0.009 . 1 . . . A 60 GLN HA . 19163 1 565 . 1 1 60 60 GLN HB2 H 1 1.818 0.017 . 2 . . . A 60 GLN HB2 . 19163 1 566 . 1 1 60 60 GLN HB3 H 1 1.976 0.011 . 2 . . . A 60 GLN HB3 . 19163 1 567 . 1 1 60 60 GLN HG2 H 1 2.060 0.004 . 2 . . . A 60 GLN HG2 . 19163 1 568 . 1 1 60 60 GLN HG3 H 1 2.209 0.011 . 2 . . . A 60 GLN HG3 . 19163 1 569 . 1 1 60 60 GLN C C 13 176.942 0.007 . 1 . . . A 60 GLN C . 19163 1 570 . 1 1 60 60 GLN CA C 13 58.762 0.122 . 1 . . . A 60 GLN CA . 19163 1 571 . 1 1 60 60 GLN CB C 13 28.498 0.041 . 1 . . . A 60 GLN CB . 19163 1 572 . 1 1 60 60 GLN CG C 13 33.765 0.051 . 1 . . . A 60 GLN CG . 19163 1 573 . 1 1 60 60 GLN N N 15 122.099 0.021 . 1 . . . A 60 GLN N . 19163 1 574 . 1 1 61 61 ALA H H 1 7.354 0.012 . 1 . . . A 61 ALA H . 19163 1 575 . 1 1 61 61 ALA HA H 1 2.636 0.016 . 1 . . . A 61 ALA HA . 19163 1 576 . 1 1 61 61 ALA HB1 H 1 1.179 0.010 . 1 . . . A 61 ALA HB1 . 19163 1 577 . 1 1 61 61 ALA HB2 H 1 1.179 0.010 . 1 . . . A 61 ALA HB2 . 19163 1 578 . 1 1 61 61 ALA HB3 H 1 1.179 0.010 . 1 . . . A 61 ALA HB3 . 19163 1 579 . 1 1 61 61 ALA C C 13 178.507 0.009 . 1 . . . A 61 ALA C . 19163 1 580 . 1 1 61 61 ALA CA C 13 54.126 0.075 . 1 . . . A 61 ALA CA . 19163 1 581 . 1 1 61 61 ALA CB C 13 18.462 0.061 . 1 . . . A 61 ALA CB . 19163 1 582 . 1 1 61 61 ALA N N 15 119.367 0.026 . 1 . . . A 61 ALA N . 19163 1 583 . 1 1 62 62 TYR H H 1 7.994 0.009 . 1 . . . A 62 TYR H . 19163 1 584 . 1 1 62 62 TYR HA H 1 3.633 0.010 . 1 . . . A 62 TYR HA . 19163 1 585 . 1 1 62 62 TYR HB2 H 1 2.315 0.008 . 2 . . . A 62 TYR HB2 . 19163 1 586 . 1 1 62 62 TYR HB3 H 1 2.632 0.015 . 2 . . . A 62 TYR HB3 . 19163 1 587 . 1 1 62 62 TYR C C 13 177.421 0.004 . 1 . . . A 62 TYR C . 19163 1 588 . 1 1 62 62 TYR CA C 13 61.676 0.066 . 1 . . . A 62 TYR CA . 19163 1 589 . 1 1 62 62 TYR CB C 13 39.162 0.064 . 1 . . . A 62 TYR CB . 19163 1 590 . 1 1 62 62 TYR N N 15 115.613 0.037 . 1 . . . A 62 TYR N . 19163 1 591 . 1 1 63 63 GLU H H 1 8.151 0.006 . 1 . . . A 63 GLU H . 19163 1 592 . 1 1 63 63 GLU HA H 1 3.347 0.009 . 1 . . . A 63 GLU HA . 19163 1 593 . 1 1 63 63 GLU HB2 H 1 1.883 0.014 . 2 . . . A 63 GLU HB2 . 19163 1 594 . 1 1 63 63 GLU HB3 H 1 1.852 0.010 . 2 . . . A 63 GLU HB3 . 19163 1 595 . 1 1 63 63 GLU HG2 H 1 2.012 0.005 . 2 . . . A 63 GLU HG2 . 19163 1 596 . 1 1 63 63 GLU HG3 H 1 2.157 0.016 . 2 . . . A 63 GLU HG3 . 19163 1 597 . 1 1 63 63 GLU C C 13 177.687 0.009 . 1 . . . A 63 GLU C . 19163 1 598 . 1 1 63 63 GLU CA C 13 59.562 0.048 . 1 . . . A 63 GLU CA . 19163 1 599 . 1 1 63 63 GLU CB C 13 29.115 0.068 . 1 . . . A 63 GLU CB . 19163 1 600 . 1 1 63 63 GLU CG C 13 36.237 0.043 . 1 . . . A 63 GLU CG . 19163 1 601 . 1 1 63 63 GLU N N 15 121.396 0.025 . 1 . . . A 63 GLU N . 19163 1 602 . 1 1 64 64 VAL H H 1 6.814 0.009 . 1 . . . A 64 VAL H . 19163 1 603 . 1 1 64 64 VAL HA H 1 3.377 0.010 . 1 . . . A 64 VAL HA . 19163 1 604 . 1 1 64 64 VAL HB H 1 1.347 0.010 . 1 . . . A 64 VAL HB . 19163 1 605 . 1 1 64 64 VAL HG11 H 1 0.529 0.012 . 2 . . . A 64 VAL HG11 . 19163 1 606 . 1 1 64 64 VAL HG12 H 1 0.529 0.012 . 2 . . . A 64 VAL HG12 . 19163 1 607 . 1 1 64 64 VAL HG13 H 1 0.529 0.012 . 2 . . . A 64 VAL HG13 . 19163 1 608 . 1 1 64 64 VAL HG21 H 1 0.800 0.009 . 2 . . . A 64 VAL HG21 . 19163 1 609 . 1 1 64 64 VAL HG22 H 1 0.800 0.009 . 2 . . . A 64 VAL HG22 . 19163 1 610 . 1 1 64 64 VAL HG23 H 1 0.800 0.009 . 2 . . . A 64 VAL HG23 . 19163 1 611 . 1 1 64 64 VAL C C 13 175.925 0.006 . 1 . . . A 64 VAL C . 19163 1 612 . 1 1 64 64 VAL CA C 13 65.806 0.044 . 1 . . . A 64 VAL CA . 19163 1 613 . 1 1 64 64 VAL CB C 13 31.786 0.074 . 1 . . . A 64 VAL CB . 19163 1 614 . 1 1 64 64 VAL CG1 C 13 20.731 0.068 . 2 . . . A 64 VAL CG1 . 19163 1 615 . 1 1 64 64 VAL CG2 C 13 22.813 0.056 . 2 . . . A 64 VAL CG2 . 19163 1 616 . 1 1 64 64 VAL N N 15 115.850 0.039 . 1 . . . A 64 VAL N . 19163 1 617 . 1 1 65 65 LEU H H 1 7.398 0.006 . 1 . . . A 65 LEU H . 19163 1 618 . 1 1 65 65 LEU HA H 1 3.569 0.010 . 1 . . . A 65 LEU HA . 19163 1 619 . 1 1 65 65 LEU HB2 H 1 1.067 0.019 . 2 . . . A 65 LEU HB2 . 19163 1 620 . 1 1 65 65 LEU HB3 H 1 1.275 0.008 . 2 . . . A 65 LEU HB3 . 19163 1 621 . 1 1 65 65 LEU HG H 1 1.393 0.018 . 1 . . . A 65 LEU HG . 19163 1 622 . 1 1 65 65 LEU HD11 H 1 0.037 0.013 . 2 . . . A 65 LEU HD11 . 19163 1 623 . 1 1 65 65 LEU HD12 H 1 0.037 0.013 . 2 . . . A 65 LEU HD12 . 19163 1 624 . 1 1 65 65 LEU HD13 H 1 0.037 0.013 . 2 . . . A 65 LEU HD13 . 19163 1 625 . 1 1 65 65 LEU HD21 H 1 0.279 0.018 . 2 . . . A 65 LEU HD21 . 19163 1 626 . 1 1 65 65 LEU HD22 H 1 0.279 0.018 . 2 . . . A 65 LEU HD22 . 19163 1 627 . 1 1 65 65 LEU HD23 H 1 0.279 0.018 . 2 . . . A 65 LEU HD23 . 19163 1 628 . 1 1 65 65 LEU C C 13 177.124 0.006 . 1 . . . A 65 LEU C . 19163 1 629 . 1 1 65 65 LEU CA C 13 56.645 0.032 . 1 . . . A 65 LEU CA . 19163 1 630 . 1 1 65 65 LEU CB C 13 42.589 0.026 . 1 . . . A 65 LEU CB . 19163 1 631 . 1 1 65 65 LEU CG C 13 25.805 0.000 . 1 . . . A 65 LEU CG . 19163 1 632 . 1 1 65 65 LEU CD1 C 13 22.562 0.000 . 1 . . . A 65 LEU CD1 . 19163 1 633 . 1 1 65 65 LEU CD2 C 13 22.562 0.000 . 1 . . . A 65 LEU CD2 . 19163 1 634 . 1 1 65 65 LEU N N 15 111.438 0.042 . 1 . . . A 65 LEU N . 19163 1 635 . 1 1 66 66 SER H H 1 7.700 0.014 . 1 . . . A 66 SER H . 19163 1 636 . 1 1 66 66 SER HA H 1 4.028 0.014 . 1 . . . A 66 SER HA . 19163 1 637 . 1 1 66 66 SER HB2 H 1 2.556 0.021 . 2 . . . A 66 SER HB2 . 19163 1 638 . 1 1 66 66 SER HB3 H 1 3.410 0.017 . 2 . . . A 66 SER HB3 . 19163 1 639 . 1 1 66 66 SER C C 13 173.286 0.000 . 1 . . . A 66 SER C . 19163 1 640 . 1 1 66 66 SER CA C 13 59.232 0.025 . 1 . . . A 66 SER CA . 19163 1 641 . 1 1 66 66 SER CB C 13 63.066 0.035 . 1 . . . A 66 SER CB . 19163 1 642 . 1 1 66 66 SER N N 15 108.642 0.042 . 1 . . . A 66 SER N . 19163 1 643 . 1 1 67 67 ASP H H 1 6.879 0.007 . 1 . . . A 67 ASP H . 19163 1 644 . 1 1 67 67 ASP HA H 1 4.668 0.012 . 1 . . . A 67 ASP HA . 19163 1 645 . 1 1 67 67 ASP HB2 H 1 2.403 0.016 . 2 . . . A 67 ASP HB2 . 19163 1 646 . 1 1 67 67 ASP HB3 H 1 2.825 0.016 . 2 . . . A 67 ASP HB3 . 19163 1 647 . 1 1 67 67 ASP C C 13 174.913 0.005 . 1 . . . A 67 ASP C . 19163 1 648 . 1 1 67 67 ASP CA C 13 52.487 0.038 . 1 . . . A 67 ASP CA . 19163 1 649 . 1 1 67 67 ASP CB C 13 43.218 0.068 . 1 . . . A 67 ASP CB . 19163 1 650 . 1 1 67 67 ASP N N 15 124.276 0.021 . 1 . . . A 67 ASP N . 19163 1 651 . 1 1 68 68 ALA H H 1 8.693 0.012 . 1 . . . A 68 ALA H . 19163 1 652 . 1 1 68 68 ALA HA H 1 3.853 0.007 . 1 . . . A 68 ALA HA . 19163 1 653 . 1 1 68 68 ALA HB1 H 1 1.396 0.011 . 1 . . . A 68 ALA HB1 . 19163 1 654 . 1 1 68 68 ALA HB2 H 1 1.396 0.011 . 1 . . . A 68 ALA HB2 . 19163 1 655 . 1 1 68 68 ALA HB3 H 1 1.396 0.011 . 1 . . . A 68 ALA HB3 . 19163 1 656 . 1 1 68 68 ALA C C 13 180.336 0.007 . 1 . . . A 68 ALA C . 19163 1 657 . 1 1 68 68 ALA CA C 13 55.912 0.048 . 1 . . . A 68 ALA CA . 19163 1 658 . 1 1 68 68 ALA CB C 13 18.645 0.077 . 1 . . . A 68 ALA CB . 19163 1 659 . 1 1 68 68 ALA N N 15 127.326 0.040 . 1 . . . A 68 ALA N . 19163 1 660 . 1 1 69 69 LYS H H 1 7.950 0.009 . 1 . . . A 69 LYS H . 19163 1 661 . 1 1 69 69 LYS HA H 1 4.162 0.009 . 1 . . . A 69 LYS HA . 19163 1 662 . 1 1 69 69 LYS HB2 H 1 1.841 0.021 . 2 . . . A 69 LYS HB2 . 19163 1 663 . 1 1 69 69 LYS HB3 H 1 1.874 0.015 . 2 . . . A 69 LYS HB3 . 19163 1 664 . 1 1 69 69 LYS HG2 H 1 1.401 0.016 . 2 . . . A 69 LYS HG2 . 19163 1 665 . 1 1 69 69 LYS HG3 H 1 1.432 0.021 . 2 . . . A 69 LYS HG3 . 19163 1 666 . 1 1 69 69 LYS HD2 H 1 1.657 0.007 . 1 . . . A 69 LYS HD2 . 19163 1 667 . 1 1 69 69 LYS HD3 H 1 1.657 0.007 . 1 . . . A 69 LYS HD3 . 19163 1 668 . 1 1 69 69 LYS HE2 H 1 2.929 0.005 . 1 . . . A 69 LYS HE2 . 19163 1 669 . 1 1 69 69 LYS HE3 H 1 2.929 0.005 . 1 . . . A 69 LYS HE3 . 19163 1 670 . 1 1 69 69 LYS C C 13 179.515 0.006 . 1 . . . A 69 LYS C . 19163 1 671 . 1 1 69 69 LYS CA C 13 58.562 0.102 . 1 . . . A 69 LYS CA . 19163 1 672 . 1 1 69 69 LYS CB C 13 31.840 0.060 . 1 . . . A 69 LYS CB . 19163 1 673 . 1 1 69 69 LYS CG C 13 25.058 0.082 . 1 . . . A 69 LYS CG . 19163 1 674 . 1 1 69 69 LYS CD C 13 28.539 0.027 . 1 . . . A 69 LYS CD . 19163 1 675 . 1 1 69 69 LYS CE C 13 42.045 0.021 . 1 . . . A 69 LYS CE . 19163 1 676 . 1 1 69 69 LYS N N 15 116.929 0.032 . 1 . . . A 69 LYS N . 19163 1 677 . 1 1 70 70 LYS H H 1 8.184 0.011 . 1 . . . A 70 LYS H . 19163 1 678 . 1 1 70 70 LYS HA H 1 3.960 0.012 . 1 . . . A 70 LYS HA . 19163 1 679 . 1 1 70 70 LYS HB2 H 1 2.354 0.018 . 2 . . . A 70 LYS HB2 . 19163 1 680 . 1 1 70 70 LYS HB3 H 1 1.791 0.016 . 2 . . . A 70 LYS HB3 . 19163 1 681 . 1 1 70 70 LYS HG2 H 1 1.299 0.007 . 2 . . . A 70 LYS HG2 . 19163 1 682 . 1 1 70 70 LYS HG3 H 1 1.498 0.016 . 2 . . . A 70 LYS HG3 . 19163 1 683 . 1 1 70 70 LYS HD2 H 1 1.585 0.019 . 1 . . . A 70 LYS HD2 . 19163 1 684 . 1 1 70 70 LYS HD3 H 1 1.585 0.019 . 1 . . . A 70 LYS HD3 . 19163 1 685 . 1 1 70 70 LYS HE2 H 1 2.859 0.009 . 1 . . . A 70 LYS HE2 . 19163 1 686 . 1 1 70 70 LYS HE3 H 1 2.861 0.008 . 1 . . . A 70 LYS HE3 . 19163 1 687 . 1 1 70 70 LYS C C 13 179.938 0.006 . 1 . . . A 70 LYS C . 19163 1 688 . 1 1 70 70 LYS CA C 13 60.066 0.044 . 1 . . . A 70 LYS CA . 19163 1 689 . 1 1 70 70 LYS CB C 13 32.695 0.077 . 1 . . . A 70 LYS CB . 19163 1 690 . 1 1 70 70 LYS CG C 13 26.528 0.080 . 1 . . . A 70 LYS CG . 19163 1 691 . 1 1 70 70 LYS CD C 13 30.010 0.128 . 1 . . . A 70 LYS CD . 19163 1 692 . 1 1 70 70 LYS CE C 13 42.252 0.004 . 1 . . . A 70 LYS CE . 19163 1 693 . 1 1 70 70 LYS N N 15 121.286 0.022 . 1 . . . A 70 LYS N . 19163 1 694 . 1 1 71 71 ARG H H 1 9.290 0.016 . 1 . . . A 71 ARG H . 19163 1 695 . 1 1 71 71 ARG HA H 1 3.668 0.023 . 1 . . . A 71 ARG HA . 19163 1 696 . 1 1 71 71 ARG HB2 H 1 2.135 0.013 . 2 . . . A 71 ARG HB2 . 19163 1 697 . 1 1 71 71 ARG HB3 H 1 1.714 0.009 . 2 . . . A 71 ARG HB3 . 19163 1 698 . 1 1 71 71 ARG HG2 H 1 1.713 0.010 . 2 . . . A 71 ARG HG2 . 19163 1 699 . 1 1 71 71 ARG HG3 H 1 1.847 0.009 . 2 . . . A 71 ARG HG3 . 19163 1 700 . 1 1 71 71 ARG HD2 H 1 3.122 0.020 . 2 . . . A 71 ARG HD2 . 19163 1 701 . 1 1 71 71 ARG HD3 H 1 3.524 0.016 . 2 . . . A 71 ARG HD3 . 19163 1 702 . 1 1 71 71 ARG C C 13 177.356 0.004 . 1 . . . A 71 ARG C . 19163 1 703 . 1 1 71 71 ARG CA C 13 60.127 0.049 . 1 . . . A 71 ARG CA . 19163 1 704 . 1 1 71 71 ARG CB C 13 29.668 0.098 . 1 . . . A 71 ARG CB . 19163 1 705 . 1 1 71 71 ARG CD C 13 43.826 0.053 . 1 . . . A 71 ARG CD . 19163 1 706 . 1 1 71 71 ARG N N 15 122.794 0.044 . 1 . . . A 71 ARG N . 19163 1 707 . 1 1 72 72 GLU H H 1 7.607 0.009 . 1 . . . A 72 GLU H . 19163 1 708 . 1 1 72 72 GLU HA H 1 4.096 0.011 . 1 . . . A 72 GLU HA . 19163 1 709 . 1 1 72 72 GLU HB2 H 1 2.129 0.012 . 1 . . . A 72 GLU HB2 . 19163 1 710 . 1 1 72 72 GLU HB3 H 1 2.136 0.015 . 1 . . . A 72 GLU HB3 . 19163 1 711 . 1 1 72 72 GLU HG2 H 1 2.363 0.016 . 1 . . . A 72 GLU HG2 . 19163 1 712 . 1 1 72 72 GLU HG3 H 1 2.363 0.016 . 1 . . . A 72 GLU HG3 . 19163 1 713 . 1 1 72 72 GLU C C 13 179.073 0.006 . 1 . . . A 72 GLU C . 19163 1 714 . 1 1 72 72 GLU CA C 13 59.456 0.032 . 1 . . . A 72 GLU CA . 19163 1 715 . 1 1 72 72 GLU CB C 13 29.615 0.080 . 1 . . . A 72 GLU CB . 19163 1 716 . 1 1 72 72 GLU CG C 13 36.206 0.034 . 1 . . . A 72 GLU CG . 19163 1 717 . 1 1 72 72 GLU N N 15 118.390 0.020 . 1 . . . A 72 GLU N . 19163 1 718 . 1 1 73 73 LEU H H 1 7.398 0.009 . 1 . . . A 73 LEU H . 19163 1 719 . 1 1 73 73 LEU HA H 1 4.032 0.016 . 1 . . . A 73 LEU HA . 19163 1 720 . 1 1 73 73 LEU HB2 H 1 1.793 0.014 . 2 . . . A 73 LEU HB2 . 19163 1 721 . 1 1 73 73 LEU HB3 H 1 1.584 0.010 . 2 . . . A 73 LEU HB3 . 19163 1 722 . 1 1 73 73 LEU HG H 1 1.741 0.011 . 1 . . . A 73 LEU HG . 19163 1 723 . 1 1 73 73 LEU HD11 H 1 0.848 0.012 . 2 . . . A 73 LEU HD11 . 19163 1 724 . 1 1 73 73 LEU HD12 H 1 0.848 0.012 . 2 . . . A 73 LEU HD12 . 19163 1 725 . 1 1 73 73 LEU HD13 H 1 0.848 0.012 . 2 . . . A 73 LEU HD13 . 19163 1 726 . 1 1 73 73 LEU HD21 H 1 0.863 0.014 . 2 . . . A 73 LEU HD21 . 19163 1 727 . 1 1 73 73 LEU HD22 H 1 0.863 0.014 . 2 . . . A 73 LEU HD22 . 19163 1 728 . 1 1 73 73 LEU HD23 H 1 0.863 0.014 . 2 . . . A 73 LEU HD23 . 19163 1 729 . 1 1 73 73 LEU C C 13 179.696 0.006 . 1 . . . A 73 LEU C . 19163 1 730 . 1 1 73 73 LEU CA C 13 57.597 0.047 . 1 . . . A 73 LEU CA . 19163 1 731 . 1 1 73 73 LEU CB C 13 41.815 0.095 . 1 . . . A 73 LEU CB . 19163 1 732 . 1 1 73 73 LEU CG C 13 26.901 0.068 . 1 . . . A 73 LEU CG . 19163 1 733 . 1 1 73 73 LEU CD1 C 13 23.368 0.067 . 2 . . . A 73 LEU CD1 . 19163 1 734 . 1 1 73 73 LEU CD2 C 13 24.953 0.041 . 2 . . . A 73 LEU CD2 . 19163 1 735 . 1 1 73 73 LEU N N 15 117.921 0.030 . 1 . . . A 73 LEU N . 19163 1 736 . 1 1 74 74 TYR H H 1 8.316 0.009 . 1 . . . A 74 TYR H . 19163 1 737 . 1 1 74 74 TYR HA H 1 4.092 0.012 . 1 . . . A 74 TYR HA . 19163 1 738 . 1 1 74 74 TYR HB2 H 1 3.068 0.029 . 2 . . . A 74 TYR HB2 . 19163 1 739 . 1 1 74 74 TYR HB3 H 1 3.027 0.017 . 2 . . . A 74 TYR HB3 . 19163 1 740 . 1 1 74 74 TYR C C 13 178.166 0.008 . 1 . . . A 74 TYR C . 19163 1 741 . 1 1 74 74 TYR CA C 13 61.458 0.060 . 1 . . . A 74 TYR CA . 19163 1 742 . 1 1 74 74 TYR CB C 13 38.778 0.051 . 1 . . . A 74 TYR CB . 19163 1 743 . 1 1 74 74 TYR N N 15 122.662 0.026 . 1 . . . A 74 TYR N . 19163 1 744 . 1 1 75 75 ASP H H 1 8.770 0.011 . 1 . . . A 75 ASP H . 19163 1 745 . 1 1 75 75 ASP HA H 1 4.423 0.011 . 1 . . . A 75 ASP HA . 19163 1 746 . 1 1 75 75 ASP HB2 H 1 2.718 0.010 . 2 . . . A 75 ASP HB2 . 19163 1 747 . 1 1 75 75 ASP HB3 H 1 2.705 0.020 . 2 . . . A 75 ASP HB3 . 19163 1 748 . 1 1 75 75 ASP C C 13 177.726 0.004 . 1 . . . A 75 ASP C . 19163 1 749 . 1 1 75 75 ASP CA C 13 56.177 0.039 . 1 . . . A 75 ASP CA . 19163 1 750 . 1 1 75 75 ASP CB C 13 40.800 0.009 . 1 . . . A 75 ASP CB . 19163 1 751 . 1 1 75 75 ASP N N 15 118.842 0.041 . 1 . . . A 75 ASP N . 19163 1 752 . 1 1 76 76 LYS H H 1 7.610 0.005 . 1 . . . A 76 LYS H . 19163 1 753 . 1 1 76 76 LYS HA H 1 4.130 0.020 . 1 . . . A 76 LYS HA . 19163 1 754 . 1 1 76 76 LYS HB2 H 1 1.862 0.009 . 1 . . . A 76 LYS HB2 . 19163 1 755 . 1 1 76 76 LYS HB3 H 1 1.862 0.009 . 1 . . . A 76 LYS HB3 . 19163 1 756 . 1 1 76 76 LYS HD2 H 1 1.645 0.006 . 1 . . . A 76 LYS HD2 . 19163 1 757 . 1 1 76 76 LYS HD3 H 1 1.645 0.006 . 1 . . . A 76 LYS HD3 . 19163 1 758 . 1 1 76 76 LYS C C 13 177.006 0.007 . 1 . . . A 76 LYS C . 19163 1 759 . 1 1 76 76 LYS CA C 13 57.537 0.046 . 1 . . . A 76 LYS CA . 19163 1 760 . 1 1 76 76 LYS CB C 13 33.136 0.049 . 1 . . . A 76 LYS CB . 19163 1 761 . 1 1 76 76 LYS CG C 13 25.248 0.000 . 1 . . . A 76 LYS CG . 19163 1 762 . 1 1 76 76 LYS CD C 13 29.444 0.079 . 1 . . . A 76 LYS CD . 19163 1 763 . 1 1 76 76 LYS CE C 13 42.226 0.000 . 1 . . . A 76 LYS CE . 19163 1 764 . 1 1 76 76 LYS N N 15 118.955 0.040 . 1 . . . A 76 LYS N . 19163 1 765 . 1 1 77 77 GLY H H 1 7.466 0.007 . 1 . . . A 77 GLY H . 19163 1 766 . 1 1 77 77 GLY HA2 H 1 3.627 0.006 . 1 . . . A 77 GLY HA2 . 19163 1 767 . 1 1 77 77 GLY HA3 H 1 3.627 0.006 . 1 . . . A 77 GLY HA3 . 19163 1 768 . 1 1 77 77 GLY C C 13 179.086 0.000 . 1 . . . A 77 GLY C . 19163 1 769 . 1 1 77 77 GLY CA C 13 46.454 0.038 . 1 . . . A 77 GLY CA . 19163 1 770 . 1 1 77 77 GLY N N 15 113.315 0.030 . 1 . . . A 77 GLY N . 19163 1 stop_ save_