data_11300 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11300 _Entry.Title ; Solution structure of the Myb_DNA-binding domain of human Cell division cycle 5-like protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 M. Yoneyama . . . 11300 2 N. Tochio . . . 11300 3 S. Koshiba . . . 11300 4 M. Inoue . . . 11300 5 T. Kigawa . . . 11300 6 S. Yokoyama . . . 11300 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 11300 '15N chemical shifts' 66 11300 '1H chemical shifts' 442 11300 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-09 original author . 11300 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DIM 'BMRB Entry Tracking System' 11300 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11300 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the Myb_DNA-binding domain of human Cell division cycle 5-like protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 M. Yoneyama . . . 11300 1 2 N. Tochio . . . 11300 1 3 S. Koshiba . . . 11300 1 4 M. Inoue . . . 11300 1 5 T. Kigawa . . . 11300 1 6 S. Yokoyama . . . 11300 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11300 _Assembly.ID 1 _Assembly.Name 'Cell division cycle 5-like protein' _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 'Myb_DNA-binding domain' 1 $entity_1 A . yes native no no . . . 11300 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2dim . . . . . . 11300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11300 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Myb_DNA-binding domain' _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 ; GSSGSSGKGGVWRNTEDEIL KAAVMKYGKNQWSRIASLLH RKSAKQCKARWYEWLDPSIK KTEWSGPSSG ; _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 . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2DIM . "Solution Structure Of The Myb_dna-Binding Domain Of Human Cell Division Cycle 5-Like Protein" . . . . . 100.00 70 100.00 100.00 4.18e-41 . . . . 11300 1 2 no DBJ BAA20885 . "Cdc5 [Homo sapiens]" . . . . . 81.43 155 98.25 100.00 3.36e-32 . . . . 11300 1 3 no DBJ BAA24862 . "KIAA0432 [Homo sapiens]" . . . . . 82.86 802 100.00 100.00 8.06e-32 . . . . 11300 1 4 no DBJ BAD32228 . "mKIAA0432 protein [Mus musculus]" . . . . . 82.86 832 100.00 100.00 7.30e-32 . . . . 11300 1 5 no DBJ BAE27510 . "unnamed protein product [Mus musculus]" . . . . . 82.86 802 100.00 100.00 6.95e-32 . . . . 11300 1 6 no DBJ BAE29661 . "unnamed protein product [Mus musculus]" . . . . . 82.86 802 100.00 100.00 6.95e-32 . . . . 11300 1 7 no EMBL CAG00328 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 82.86 825 98.28 100.00 3.07e-31 . . . . 11300 1 8 no EMBL CAL49404 . "CDC5 cell division cycle 5-like [Xenopus (Silurana) tropicalis]" . . . . . 82.86 253 100.00 100.00 5.83e-33 . . . . 11300 1 9 no EMBL CDQ56126 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 82.86 806 100.00 100.00 7.38e-32 . . . . 11300 1 10 no EMBL CDQ59735 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 82.86 806 100.00 100.00 7.38e-32 . . . . 11300 1 11 no GB AAB61210 . "pombe Cdc5-related protein [Homo sapiens]" . . . . . 82.86 802 100.00 100.00 8.06e-32 . . . . 11300 1 12 no GB AAD05365 . "Cdc5-like protein [Rattus norvegicus]" . . . . . 82.86 802 100.00 100.00 7.37e-32 . . . . 11300 1 13 no GB AAF47383 . "cell division cycle 5 ortholog, isoform A [Drosophila melanogaster]" . . . . . 82.86 814 100.00 100.00 5.30e-32 . . . . 11300 1 14 no GB AAH01568 . "CDC5 cell division cycle 5-like (S. pombe) [Homo sapiens]" . . . . . 82.86 802 100.00 100.00 8.06e-32 . . . . 11300 1 15 no GB AAH03893 . "Cdc5l protein [Mus musculus]" . . . . . 82.86 415 100.00 100.00 8.95e-33 . . . . 11300 1 16 no REF NP_001008202 . "cell division cycle 5-like protein [Xenopus (Silurana) tropicalis]" . . . . . 82.86 804 100.00 100.00 8.59e-32 . . . . 11300 1 17 no REF NP_001070010 . "cell division cycle 5-like protein [Bos taurus]" . . . . . 82.86 802 100.00 100.00 8.89e-32 . . . . 11300 1 18 no REF NP_001096658 . "cell division cycle 5-like [Xenopus laevis]" . . . . . 82.86 804 100.00 100.00 8.94e-32 . . . . 11300 1 19 no REF NP_001131045 . "cell division cycle 5-like protein [Xenopus laevis]" . . . . . 82.86 804 100.00 100.00 8.59e-32 . . . . 11300 1 20 no REF NP_001163313 . "cell division cycle 5 ortholog, isoform B [Drosophila melanogaster]" . . . . . 82.86 814 100.00 100.00 5.30e-32 . . . . 11300 1 21 no SP A7SD85 . "RecName: Full=Cell division cycle 5-related protein; AltName: Full=Cdc5-like protein" . . . . . 82.86 805 100.00 100.00 4.08e-32 . . . . 11300 1 22 no SP O08837 . "RecName: Full=Cell division cycle 5-like protein; AltName: Full=Cdc5-like protein; AltName: Full=Pombe Cdc5-related protein" . . . . . 82.86 802 100.00 100.00 7.37e-32 . . . . 11300 1 23 no SP Q2KJC1 . "RecName: Full=Cell division cycle 5-like protein; Short=Cdc5-like protein" . . . . . 82.86 802 100.00 100.00 8.89e-32 . . . . 11300 1 24 no SP Q6A068 . "RecName: Full=Cell division cycle 5-like protein; AltName: Full=Cdc5-like protein" . . . . . 82.86 802 100.00 100.00 6.95e-32 . . . . 11300 1 25 no SP Q99459 . "RecName: Full=Cell division cycle 5-like protein; Short=Cdc5-like protein; AltName: Full=Pombe cdc5-related protein" . . . . . 82.86 802 100.00 100.00 8.06e-32 . . . . 11300 1 26 no TPG DAA16567 . "TPA: cell division cycle 5-like protein [Bos taurus]" . . . . . 82.86 802 100.00 100.00 8.89e-32 . . . . 11300 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Myb_DNA-binding domain' . 11300 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 . GLY . 11300 1 2 . SER . 11300 1 3 . SER . 11300 1 4 . GLY . 11300 1 5 . SER . 11300 1 6 . SER . 11300 1 7 . GLY . 11300 1 8 . LYS . 11300 1 9 . GLY . 11300 1 10 . GLY . 11300 1 11 . VAL . 11300 1 12 . TRP . 11300 1 13 . ARG . 11300 1 14 . ASN . 11300 1 15 . THR . 11300 1 16 . GLU . 11300 1 17 . ASP . 11300 1 18 . GLU . 11300 1 19 . ILE . 11300 1 20 . LEU . 11300 1 21 . LYS . 11300 1 22 . ALA . 11300 1 23 . ALA . 11300 1 24 . VAL . 11300 1 25 . MET . 11300 1 26 . LYS . 11300 1 27 . TYR . 11300 1 28 . GLY . 11300 1 29 . LYS . 11300 1 30 . ASN . 11300 1 31 . GLN . 11300 1 32 . TRP . 11300 1 33 . SER . 11300 1 34 . ARG . 11300 1 35 . ILE . 11300 1 36 . ALA . 11300 1 37 . SER . 11300 1 38 . LEU . 11300 1 39 . LEU . 11300 1 40 . HIS . 11300 1 41 . ARG . 11300 1 42 . LYS . 11300 1 43 . SER . 11300 1 44 . ALA . 11300 1 45 . LYS . 11300 1 46 . GLN . 11300 1 47 . CYS . 11300 1 48 . LYS . 11300 1 49 . ALA . 11300 1 50 . ARG . 11300 1 51 . TRP . 11300 1 52 . TYR . 11300 1 53 . GLU . 11300 1 54 . TRP . 11300 1 55 . LEU . 11300 1 56 . ASP . 11300 1 57 . PRO . 11300 1 58 . SER . 11300 1 59 . ILE . 11300 1 60 . LYS . 11300 1 61 . LYS . 11300 1 62 . THR . 11300 1 63 . GLU . 11300 1 64 . TRP . 11300 1 65 . SER . 11300 1 66 . GLY . 11300 1 67 . PRO . 11300 1 68 . SER . 11300 1 69 . SER . 11300 1 70 . GLY . 11300 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11300 1 . SER 2 2 11300 1 . SER 3 3 11300 1 . GLY 4 4 11300 1 . SER 5 5 11300 1 . SER 6 6 11300 1 . GLY 7 7 11300 1 . LYS 8 8 11300 1 . GLY 9 9 11300 1 . GLY 10 10 11300 1 . VAL 11 11 11300 1 . TRP 12 12 11300 1 . ARG 13 13 11300 1 . ASN 14 14 11300 1 . THR 15 15 11300 1 . GLU 16 16 11300 1 . ASP 17 17 11300 1 . GLU 18 18 11300 1 . ILE 19 19 11300 1 . LEU 20 20 11300 1 . LYS 21 21 11300 1 . ALA 22 22 11300 1 . ALA 23 23 11300 1 . VAL 24 24 11300 1 . MET 25 25 11300 1 . LYS 26 26 11300 1 . TYR 27 27 11300 1 . GLY 28 28 11300 1 . LYS 29 29 11300 1 . ASN 30 30 11300 1 . GLN 31 31 11300 1 . TRP 32 32 11300 1 . SER 33 33 11300 1 . ARG 34 34 11300 1 . ILE 35 35 11300 1 . ALA 36 36 11300 1 . SER 37 37 11300 1 . LEU 38 38 11300 1 . LEU 39 39 11300 1 . HIS 40 40 11300 1 . ARG 41 41 11300 1 . LYS 42 42 11300 1 . SER 43 43 11300 1 . ALA 44 44 11300 1 . LYS 45 45 11300 1 . GLN 46 46 11300 1 . CYS 47 47 11300 1 . LYS 48 48 11300 1 . ALA 49 49 11300 1 . ARG 50 50 11300 1 . TRP 51 51 11300 1 . TYR 52 52 11300 1 . GLU 53 53 11300 1 . TRP 54 54 11300 1 . LEU 55 55 11300 1 . ASP 56 56 11300 1 . PRO 57 57 11300 1 . SER 58 58 11300 1 . ILE 59 59 11300 1 . LYS 60 60 11300 1 . LYS 61 61 11300 1 . THR 62 62 11300 1 . GLU 63 63 11300 1 . TRP 64 64 11300 1 . SER 65 65 11300 1 . GLY 66 66 11300 1 . PRO 67 67 11300 1 . SER 68 68 11300 1 . SER 69 69 11300 1 . GLY 70 70 11300 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 11300 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11300 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 11300 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050822-18 . . . . . . 11300 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11300 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.19mM Myb_DNA-binding domain U-15N, {13C;} 20mM d-Tris HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _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 'Myb_DNA-binding domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.19 . . mM . . . . 11300 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11300 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11300 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11300 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11300 1 6 H2O . . . . . . solvent 90 . . % . . . . 11300 1 7 D2O . . . . . . solvent 10 . . % . . . . 11300 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11300 _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' 120 0.1 mM 11300 1 pH 7.0 0.05 pH 11300 1 pressure 1 0.001 atm 11300 1 temperature 296 0.1 K 11300 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11300 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11300 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11300 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11300 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11300 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11300 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11300 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11300 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11300 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11300 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9736 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11300 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11300 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11300 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11300 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11300 5 'structure solution' 11300 5 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 11300 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11300 _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 . . . 11300 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 11300 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11300 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11300 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11300 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11300 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11300 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11300 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11300 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11300 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11300 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11300 1 2 $NMRPipe . . 11300 1 3 $NMRVIEW . . 11300 1 4 $Kujira . . 11300 1 5 $CYANA . . 11300 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 7 7 GLY HA2 H 1 3.955 0.030 . 1 . . . . 7 GLY HA2 . 11300 1 2 . 1 1 7 7 GLY HA3 H 1 3.955 0.030 . 1 . . . . 7 GLY HA3 . 11300 1 3 . 1 1 7 7 GLY CA C 13 45.438 0.300 . 1 . . . . 7 GLY CA . 11300 1 4 . 1 1 8 8 LYS H H 1 8.273 0.030 . 1 . . . . 8 LYS H . 11300 1 5 . 1 1 8 8 LYS HA H 1 4.287 0.030 . 1 . . . . 8 LYS HA . 11300 1 6 . 1 1 8 8 LYS HB2 H 1 1.849 0.030 . 2 . . . . 8 LYS HB2 . 11300 1 7 . 1 1 8 8 LYS HB3 H 1 1.736 0.030 . 2 . . . . 8 LYS HB3 . 11300 1 8 . 1 1 8 8 LYS HD2 H 1 1.640 0.030 . 1 . . . . 8 LYS HD2 . 11300 1 9 . 1 1 8 8 LYS HD3 H 1 1.640 0.030 . 1 . . . . 8 LYS HD3 . 11300 1 10 . 1 1 8 8 LYS HE2 H 1 3.004 0.030 . 1 . . . . 8 LYS HE2 . 11300 1 11 . 1 1 8 8 LYS HE3 H 1 3.004 0.030 . 1 . . . . 8 LYS HE3 . 11300 1 12 . 1 1 8 8 LYS HG2 H 1 1.433 0.030 . 2 . . . . 8 LYS HG2 . 11300 1 13 . 1 1 8 8 LYS HG3 H 1 1.364 0.030 . 2 . . . . 8 LYS HG3 . 11300 1 14 . 1 1 8 8 LYS CA C 13 56.641 0.300 . 1 . . . . 8 LYS CA . 11300 1 15 . 1 1 8 8 LYS CB C 13 32.793 0.300 . 1 . . . . 8 LYS CB . 11300 1 16 . 1 1 8 8 LYS CD C 13 29.082 0.300 . 1 . . . . 8 LYS CD . 11300 1 17 . 1 1 8 8 LYS CE C 13 42.250 0.300 . 1 . . . . 8 LYS CE . 11300 1 18 . 1 1 8 8 LYS CG C 13 24.890 0.300 . 1 . . . . 8 LYS CG . 11300 1 19 . 1 1 8 8 LYS N N 15 120.842 0.300 . 1 . . . . 8 LYS N . 11300 1 20 . 1 1 9 9 GLY H H 1 8.579 0.030 . 1 . . . . 9 GLY H . 11300 1 21 . 1 1 9 9 GLY HA2 H 1 3.972 0.030 . 1 . . . . 9 GLY HA2 . 11300 1 22 . 1 1 9 9 GLY HA3 H 1 3.972 0.030 . 1 . . . . 9 GLY HA3 . 11300 1 23 . 1 1 9 9 GLY CA C 13 45.619 0.300 . 1 . . . . 9 GLY CA . 11300 1 24 . 1 1 9 9 GLY N N 15 109.674 0.300 . 1 . . . . 9 GLY N . 11300 1 25 . 1 1 10 10 GLY H H 1 8.173 0.030 . 1 . . . . 10 GLY H . 11300 1 26 . 1 1 10 10 GLY HA2 H 1 3.928 0.030 . 1 . . . . 10 GLY HA2 . 11300 1 27 . 1 1 10 10 GLY HA3 H 1 3.928 0.030 . 1 . . . . 10 GLY HA3 . 11300 1 28 . 1 1 10 10 GLY CA C 13 44.972 0.300 . 1 . . . . 10 GLY CA . 11300 1 29 . 1 1 10 10 GLY N N 15 108.646 0.300 . 1 . . . . 10 GLY N . 11300 1 30 . 1 1 11 11 VAL H H 1 8.043 0.030 . 1 . . . . 11 VAL H . 11300 1 31 . 1 1 11 11 VAL HA H 1 4.093 0.030 . 1 . . . . 11 VAL HA . 11300 1 32 . 1 1 11 11 VAL HB H 1 1.971 0.030 . 1 . . . . 11 VAL HB . 11300 1 33 . 1 1 11 11 VAL HG11 H 1 0.818 0.030 . 1 . . . . 11 VAL HG1 . 11300 1 34 . 1 1 11 11 VAL HG12 H 1 0.818 0.030 . 1 . . . . 11 VAL HG1 . 11300 1 35 . 1 1 11 11 VAL HG13 H 1 0.818 0.030 . 1 . . . . 11 VAL HG1 . 11300 1 36 . 1 1 11 11 VAL HG21 H 1 0.877 0.030 . 1 . . . . 11 VAL HG2 . 11300 1 37 . 1 1 11 11 VAL HG22 H 1 0.877 0.030 . 1 . . . . 11 VAL HG2 . 11300 1 38 . 1 1 11 11 VAL HG23 H 1 0.877 0.030 . 1 . . . . 11 VAL HG2 . 11300 1 39 . 1 1 11 11 VAL CA C 13 62.581 0.300 . 1 . . . . 11 VAL CA . 11300 1 40 . 1 1 11 11 VAL CB C 13 32.746 0.300 . 1 . . . . 11 VAL CB . 11300 1 41 . 1 1 11 11 VAL CG1 C 13 21.050 0.300 . 2 . . . . 11 VAL CG1 . 11300 1 42 . 1 1 11 11 VAL CG2 C 13 20.747 0.300 . 2 . . . . 11 VAL CG2 . 11300 1 43 . 1 1 11 11 VAL N N 15 120.074 0.300 . 1 . . . . 11 VAL N . 11300 1 44 . 1 1 12 12 TRP H H 1 8.645 0.030 . 1 . . . . 12 TRP H . 11300 1 45 . 1 1 12 12 TRP HA H 1 4.377 0.030 . 1 . . . . 12 TRP HA . 11300 1 46 . 1 1 12 12 TRP HB2 H 1 3.154 0.030 . 2 . . . . 12 TRP HB2 . 11300 1 47 . 1 1 12 12 TRP HB3 H 1 2.764 0.030 . 2 . . . . 12 TRP HB3 . 11300 1 48 . 1 1 12 12 TRP HD1 H 1 7.056 0.030 . 1 . . . . 12 TRP HD1 . 11300 1 49 . 1 1 12 12 TRP HE1 H 1 10.005 0.030 . 1 . . . . 12 TRP HE1 . 11300 1 50 . 1 1 12 12 TRP HE3 H 1 7.627 0.030 . 1 . . . . 12 TRP HE3 . 11300 1 51 . 1 1 12 12 TRP HH2 H 1 7.377 0.030 . 1 . . . . 12 TRP HH2 . 11300 1 52 . 1 1 12 12 TRP HZ2 H 1 6.994 0.030 . 1 . . . . 12 TRP HZ2 . 11300 1 53 . 1 1 12 12 TRP HZ3 H 1 6.983 0.030 . 1 . . . . 12 TRP HZ3 . 11300 1 54 . 1 1 12 12 TRP CA C 13 57.035 0.300 . 1 . . . . 12 TRP CA . 11300 1 55 . 1 1 12 12 TRP CB C 13 29.449 0.300 . 1 . . . . 12 TRP CB . 11300 1 56 . 1 1 12 12 TRP CD1 C 13 125.957 0.300 . 1 . . . . 12 TRP CD1 . 11300 1 57 . 1 1 12 12 TRP CE3 C 13 122.982 0.300 . 1 . . . . 12 TRP CE3 . 11300 1 58 . 1 1 12 12 TRP CH2 C 13 124.757 0.300 . 1 . . . . 12 TRP CH2 . 11300 1 59 . 1 1 12 12 TRP CZ2 C 13 113.212 0.300 . 1 . . . . 12 TRP CZ2 . 11300 1 60 . 1 1 12 12 TRP CZ3 C 13 121.842 0.300 . 1 . . . . 12 TRP CZ3 . 11300 1 61 . 1 1 12 12 TRP N N 15 127.244 0.300 . 1 . . . . 12 TRP N . 11300 1 62 . 1 1 12 12 TRP NE1 N 15 128.040 0.300 . 1 . . . . 12 TRP NE1 . 11300 1 63 . 1 1 13 13 ARG H H 1 9.460 0.030 . 1 . . . . 13 ARG H . 11300 1 64 . 1 1 13 13 ARG HA H 1 4.628 0.030 . 1 . . . . 13 ARG HA . 11300 1 65 . 1 1 13 13 ARG HB2 H 1 2.196 0.030 . 2 . . . . 13 ARG HB2 . 11300 1 66 . 1 1 13 13 ARG HB3 H 1 1.709 0.030 . 2 . . . . 13 ARG HB3 . 11300 1 67 . 1 1 13 13 ARG HD2 H 1 3.179 0.030 . 2 . . . . 13 ARG HD2 . 11300 1 68 . 1 1 13 13 ARG HD3 H 1 3.136 0.030 . 2 . . . . 13 ARG HD3 . 11300 1 69 . 1 1 13 13 ARG HG2 H 1 1.723 0.030 . 1 . . . . 13 ARG HG2 . 11300 1 70 . 1 1 13 13 ARG HG3 H 1 1.723 0.030 . 1 . . . . 13 ARG HG3 . 11300 1 71 . 1 1 13 13 ARG CA C 13 54.782 0.300 . 1 . . . . 13 ARG CA . 11300 1 72 . 1 1 13 13 ARG CB C 13 31.861 0.300 . 1 . . . . 13 ARG CB . 11300 1 73 . 1 1 13 13 ARG CD C 13 43.283 0.300 . 1 . . . . 13 ARG CD . 11300 1 74 . 1 1 13 13 ARG CG C 13 27.679 0.300 . 1 . . . . 13 ARG CG . 11300 1 75 . 1 1 13 13 ARG N N 15 124.881 0.300 . 1 . . . . 13 ARG N . 11300 1 76 . 1 1 14 14 ASN HA H 1 4.530 0.030 . 1 . . . . 14 ASN HA . 11300 1 77 . 1 1 14 14 ASN HB2 H 1 2.998 0.030 . 1 . . . . 14 ASN HB2 . 11300 1 78 . 1 1 14 14 ASN HB3 H 1 2.998 0.030 . 1 . . . . 14 ASN HB3 . 11300 1 79 . 1 1 14 14 ASN HD21 H 1 7.853 0.030 . 2 . . . . 14 ASN HD21 . 11300 1 80 . 1 1 14 14 ASN HD22 H 1 7.091 0.030 . 2 . . . . 14 ASN HD22 . 11300 1 81 . 1 1 14 14 ASN CA C 13 57.635 0.300 . 1 . . . . 14 ASN CA . 11300 1 82 . 1 1 14 14 ASN CB C 13 37.707 0.300 . 1 . . . . 14 ASN CB . 11300 1 83 . 1 1 14 14 ASN ND2 N 15 113.639 0.300 . 1 . . . . 14 ASN ND2 . 11300 1 84 . 1 1 15 15 THR HA H 1 4.050 0.030 . 1 . . . . 15 THR HA . 11300 1 85 . 1 1 15 15 THR HB H 1 4.185 0.030 . 1 . . . . 15 THR HB . 11300 1 86 . 1 1 15 15 THR HG21 H 1 1.357 0.030 . 1 . . . . 15 THR HG2 . 11300 1 87 . 1 1 15 15 THR HG22 H 1 1.357 0.030 . 1 . . . . 15 THR HG2 . 11300 1 88 . 1 1 15 15 THR HG23 H 1 1.357 0.030 . 1 . . . . 15 THR HG2 . 11300 1 89 . 1 1 15 15 THR C C 13 177.383 0.300 . 1 . . . . 15 THR C . 11300 1 90 . 1 1 15 15 THR CA C 13 64.799 0.300 . 1 . . . . 15 THR CA . 11300 1 91 . 1 1 15 15 THR CB C 13 68.340 0.300 . 1 . . . . 15 THR CB . 11300 1 92 . 1 1 15 15 THR CG2 C 13 22.692 0.300 . 1 . . . . 15 THR CG2 . 11300 1 93 . 1 1 16 16 GLU H H 1 7.049 0.030 . 1 . . . . 16 GLU H . 11300 1 94 . 1 1 16 16 GLU HA H 1 4.143 0.030 . 1 . . . . 16 GLU HA . 11300 1 95 . 1 1 16 16 GLU HB2 H 1 2.840 0.030 . 2 . . . . 16 GLU HB2 . 11300 1 96 . 1 1 16 16 GLU HB3 H 1 2.368 0.030 . 2 . . . . 16 GLU HB3 . 11300 1 97 . 1 1 16 16 GLU HG2 H 1 2.277 0.030 . 2 . . . . 16 GLU HG2 . 11300 1 98 . 1 1 16 16 GLU HG3 H 1 2.132 0.030 . 2 . . . . 16 GLU HG3 . 11300 1 99 . 1 1 16 16 GLU C C 13 178.245 0.300 . 1 . . . . 16 GLU C . 11300 1 100 . 1 1 16 16 GLU CA C 13 59.351 0.300 . 1 . . . . 16 GLU CA . 11300 1 101 . 1 1 16 16 GLU CB C 13 31.345 0.300 . 1 . . . . 16 GLU CB . 11300 1 102 . 1 1 16 16 GLU CG C 13 38.219 0.300 . 1 . . . . 16 GLU CG . 11300 1 103 . 1 1 16 16 GLU N N 15 120.965 0.300 . 1 . . . . 16 GLU N . 11300 1 104 . 1 1 17 17 ASP H H 1 8.046 0.030 . 1 . . . . 17 ASP H . 11300 1 105 . 1 1 17 17 ASP HA H 1 4.713 0.030 . 1 . . . . 17 ASP HA . 11300 1 106 . 1 1 17 17 ASP HB2 H 1 2.985 0.030 . 2 . . . . 17 ASP HB2 . 11300 1 107 . 1 1 17 17 ASP HB3 H 1 2.601 0.030 . 2 . . . . 17 ASP HB3 . 11300 1 108 . 1 1 17 17 ASP C C 13 179.180 0.300 . 1 . . . . 17 ASP C . 11300 1 109 . 1 1 17 17 ASP CA C 13 57.800 0.300 . 1 . . . . 17 ASP CA . 11300 1 110 . 1 1 17 17 ASP CB C 13 40.668 0.300 . 1 . . . . 17 ASP CB . 11300 1 111 . 1 1 17 17 ASP N N 15 120.713 0.300 . 1 . . . . 17 ASP N . 11300 1 112 . 1 1 18 18 GLU H H 1 8.065 0.030 . 1 . . . . 18 GLU H . 11300 1 113 . 1 1 18 18 GLU HA H 1 4.100 0.030 . 1 . . . . 18 GLU HA . 11300 1 114 . 1 1 18 18 GLU HB2 H 1 2.175 0.030 . 1 . . . . 18 GLU HB2 . 11300 1 115 . 1 1 18 18 GLU HB3 H 1 2.175 0.030 . 1 . . . . 18 GLU HB3 . 11300 1 116 . 1 1 18 18 GLU HG2 H 1 2.469 0.030 . 2 . . . . 18 GLU HG2 . 11300 1 117 . 1 1 18 18 GLU HG3 H 1 2.429 0.030 . 2 . . . . 18 GLU HG3 . 11300 1 118 . 1 1 18 18 GLU C C 13 180.284 0.300 . 1 . . . . 18 GLU C . 11300 1 119 . 1 1 18 18 GLU CA C 13 59.551 0.300 . 1 . . . . 18 GLU CA . 11300 1 120 . 1 1 18 18 GLU CB C 13 29.425 0.300 . 1 . . . . 18 GLU CB . 11300 1 121 . 1 1 18 18 GLU CG C 13 36.200 0.300 . 1 . . . . 18 GLU CG . 11300 1 122 . 1 1 18 18 GLU N N 15 117.870 0.300 . 1 . . . . 18 GLU N . 11300 1 123 . 1 1 19 19 ILE H H 1 7.879 0.030 . 1 . . . . 19 ILE H . 11300 1 124 . 1 1 19 19 ILE HA H 1 3.824 0.030 . 1 . . . . 19 ILE HA . 11300 1 125 . 1 1 19 19 ILE HB H 1 2.125 0.030 . 1 . . . . 19 ILE HB . 11300 1 126 . 1 1 19 19 ILE HD11 H 1 0.960 0.030 . 1 . . . . 19 ILE HD1 . 11300 1 127 . 1 1 19 19 ILE HD12 H 1 0.960 0.030 . 1 . . . . 19 ILE HD1 . 11300 1 128 . 1 1 19 19 ILE HD13 H 1 0.960 0.030 . 1 . . . . 19 ILE HD1 . 11300 1 129 . 1 1 19 19 ILE HG12 H 1 1.955 0.030 . 2 . . . . 19 ILE HG12 . 11300 1 130 . 1 1 19 19 ILE HG13 H 1 1.182 0.030 . 2 . . . . 19 ILE HG13 . 11300 1 131 . 1 1 19 19 ILE HG21 H 1 0.967 0.030 . 1 . . . . 19 ILE HG2 . 11300 1 132 . 1 1 19 19 ILE HG22 H 1 0.967 0.030 . 1 . . . . 19 ILE HG2 . 11300 1 133 . 1 1 19 19 ILE HG23 H 1 0.967 0.030 . 1 . . . . 19 ILE HG2 . 11300 1 134 . 1 1 19 19 ILE C C 13 178.621 0.300 . 1 . . . . 19 ILE C . 11300 1 135 . 1 1 19 19 ILE CA C 13 65.267 0.300 . 1 . . . . 19 ILE CA . 11300 1 136 . 1 1 19 19 ILE CB C 13 38.580 0.300 . 1 . . . . 19 ILE CB . 11300 1 137 . 1 1 19 19 ILE CD1 C 13 13.575 0.300 . 1 . . . . 19 ILE CD1 . 11300 1 138 . 1 1 19 19 ILE CG1 C 13 29.653 0.300 . 1 . . . . 19 ILE CG1 . 11300 1 139 . 1 1 19 19 ILE CG2 C 13 17.497 0.300 . 1 . . . . 19 ILE CG2 . 11300 1 140 . 1 1 19 19 ILE N N 15 122.366 0.300 . 1 . . . . 19 ILE N . 11300 1 141 . 1 1 20 20 LEU H H 1 8.727 0.030 . 1 . . . . 20 LEU H . 11300 1 142 . 1 1 20 20 LEU HA H 1 4.122 0.030 . 1 . . . . 20 LEU HA . 11300 1 143 . 1 1 20 20 LEU HB2 H 1 2.338 0.030 . 2 . . . . 20 LEU HB2 . 11300 1 144 . 1 1 20 20 LEU HB3 H 1 1.916 0.030 . 2 . . . . 20 LEU HB3 . 11300 1 145 . 1 1 20 20 LEU HD11 H 1 1.251 0.030 . 1 . . . . 20 LEU HD1 . 11300 1 146 . 1 1 20 20 LEU HD12 H 1 1.251 0.030 . 1 . . . . 20 LEU HD1 . 11300 1 147 . 1 1 20 20 LEU HD13 H 1 1.251 0.030 . 1 . . . . 20 LEU HD1 . 11300 1 148 . 1 1 20 20 LEU HD21 H 1 1.043 0.030 . 1 . . . . 20 LEU HD2 . 11300 1 149 . 1 1 20 20 LEU HD22 H 1 1.043 0.030 . 1 . . . . 20 LEU HD2 . 11300 1 150 . 1 1 20 20 LEU HD23 H 1 1.043 0.030 . 1 . . . . 20 LEU HD2 . 11300 1 151 . 1 1 20 20 LEU HG H 1 1.765 0.030 . 1 . . . . 20 LEU HG . 11300 1 152 . 1 1 20 20 LEU C C 13 177.796 0.300 . 1 . . . . 20 LEU C . 11300 1 153 . 1 1 20 20 LEU CA C 13 59.072 0.300 . 1 . . . . 20 LEU CA . 11300 1 154 . 1 1 20 20 LEU CB C 13 42.147 0.300 . 1 . . . . 20 LEU CB . 11300 1 155 . 1 1 20 20 LEU CD1 C 13 25.906 0.300 . 2 . . . . 20 LEU CD1 . 11300 1 156 . 1 1 20 20 LEU CD2 C 13 27.375 0.300 . 2 . . . . 20 LEU CD2 . 11300 1 157 . 1 1 20 20 LEU CG C 13 27.899 0.300 . 1 . . . . 20 LEU CG . 11300 1 158 . 1 1 20 20 LEU N N 15 121.782 0.300 . 1 . . . . 20 LEU N . 11300 1 159 . 1 1 21 21 LYS H H 1 8.832 0.030 . 1 . . . . 21 LYS H . 11300 1 160 . 1 1 21 21 LYS HA H 1 4.037 0.030 . 1 . . . . 21 LYS HA . 11300 1 161 . 1 1 21 21 LYS HB2 H 1 2.057 0.030 . 1 . . . . 21 LYS HB2 . 11300 1 162 . 1 1 21 21 LYS HB3 H 1 2.057 0.030 . 1 . . . . 21 LYS HB3 . 11300 1 163 . 1 1 21 21 LYS HD2 H 1 1.782 0.030 . 1 . . . . 21 LYS HD2 . 11300 1 164 . 1 1 21 21 LYS HD3 H 1 1.782 0.030 . 1 . . . . 21 LYS HD3 . 11300 1 165 . 1 1 21 21 LYS HE2 H 1 2.926 0.030 . 1 . . . . 21 LYS HE2 . 11300 1 166 . 1 1 21 21 LYS HE3 H 1 2.926 0.030 . 1 . . . . 21 LYS HE3 . 11300 1 167 . 1 1 21 21 LYS HG2 H 1 1.833 0.030 . 2 . . . . 21 LYS HG2 . 11300 1 168 . 1 1 21 21 LYS HG3 H 1 1.639 0.030 . 2 . . . . 21 LYS HG3 . 11300 1 169 . 1 1 21 21 LYS C C 13 178.718 0.300 . 1 . . . . 21 LYS C . 11300 1 170 . 1 1 21 21 LYS CA C 13 60.686 0.300 . 1 . . . . 21 LYS CA . 11300 1 171 . 1 1 21 21 LYS CB C 13 33.020 0.300 . 1 . . . . 21 LYS CB . 11300 1 172 . 1 1 21 21 LYS CD C 13 29.859 0.300 . 1 . . . . 21 LYS CD . 11300 1 173 . 1 1 21 21 LYS CE C 13 41.901 0.300 . 1 . . . . 21 LYS CE . 11300 1 174 . 1 1 21 21 LYS CG C 13 25.882 0.300 . 1 . . . . 21 LYS CG . 11300 1 175 . 1 1 21 21 LYS N N 15 117.886 0.300 . 1 . . . . 21 LYS N . 11300 1 176 . 1 1 22 22 ALA H H 1 7.785 0.030 . 1 . . . . 22 ALA H . 11300 1 177 . 1 1 22 22 ALA HA H 1 4.105 0.030 . 1 . . . . 22 ALA HA . 11300 1 178 . 1 1 22 22 ALA HB1 H 1 1.517 0.030 . 1 . . . . 22 ALA HB . 11300 1 179 . 1 1 22 22 ALA HB2 H 1 1.517 0.030 . 1 . . . . 22 ALA HB . 11300 1 180 . 1 1 22 22 ALA HB3 H 1 1.517 0.030 . 1 . . . . 22 ALA HB . 11300 1 181 . 1 1 22 22 ALA C C 13 180.418 0.300 . 1 . . . . 22 ALA C . 11300 1 182 . 1 1 22 22 ALA CA C 13 54.701 0.300 . 1 . . . . 22 ALA CA . 11300 1 183 . 1 1 22 22 ALA CB C 13 18.036 0.300 . 1 . . . . 22 ALA CB . 11300 1 184 . 1 1 22 22 ALA N N 15 119.657 0.300 . 1 . . . . 22 ALA N . 11300 1 185 . 1 1 23 23 ALA H H 1 8.539 0.030 . 1 . . . . 23 ALA H . 11300 1 186 . 1 1 23 23 ALA HA H 1 4.193 0.030 . 1 . . . . 23 ALA HA . 11300 1 187 . 1 1 23 23 ALA HB1 H 1 1.638 0.030 . 1 . . . . 23 ALA HB . 11300 1 188 . 1 1 23 23 ALA HB2 H 1 1.638 0.030 . 1 . . . . 23 ALA HB . 11300 1 189 . 1 1 23 23 ALA HB3 H 1 1.638 0.030 . 1 . . . . 23 ALA HB . 11300 1 190 . 1 1 23 23 ALA C C 13 179.422 0.300 . 1 . . . . 23 ALA C . 11300 1 191 . 1 1 23 23 ALA CA C 13 54.802 0.300 . 1 . . . . 23 ALA CA . 11300 1 192 . 1 1 23 23 ALA CB C 13 19.728 0.300 . 1 . . . . 23 ALA CB . 11300 1 193 . 1 1 23 23 ALA N N 15 122.204 0.300 . 1 . . . . 23 ALA N . 11300 1 194 . 1 1 24 24 VAL H H 1 8.554 0.030 . 1 . . . . 24 VAL H . 11300 1 195 . 1 1 24 24 VAL HA H 1 3.322 0.030 . 1 . . . . 24 VAL HA . 11300 1 196 . 1 1 24 24 VAL HB H 1 1.327 0.030 . 1 . . . . 24 VAL HB . 11300 1 197 . 1 1 24 24 VAL HG11 H 1 -0.593 0.030 . 1 . . . . 24 VAL HG1 . 11300 1 198 . 1 1 24 24 VAL HG12 H 1 -0.593 0.030 . 1 . . . . 24 VAL HG1 . 11300 1 199 . 1 1 24 24 VAL HG13 H 1 -0.593 0.030 . 1 . . . . 24 VAL HG1 . 11300 1 200 . 1 1 24 24 VAL HG21 H 1 0.440 0.030 . 1 . . . . 24 VAL HG2 . 11300 1 201 . 1 1 24 24 VAL HG22 H 1 0.440 0.030 . 1 . . . . 24 VAL HG2 . 11300 1 202 . 1 1 24 24 VAL HG23 H 1 0.440 0.030 . 1 . . . . 24 VAL HG2 . 11300 1 203 . 1 1 24 24 VAL C C 13 179.908 0.300 . 1 . . . . 24 VAL C . 11300 1 204 . 1 1 24 24 VAL CA C 13 65.609 0.300 . 1 . . . . 24 VAL CA . 11300 1 205 . 1 1 24 24 VAL CB C 13 31.296 0.300 . 1 . . . . 24 VAL CB . 11300 1 206 . 1 1 24 24 VAL CG1 C 13 19.984 0.300 . 2 . . . . 24 VAL CG1 . 11300 1 207 . 1 1 24 24 VAL CG2 C 13 23.913 0.300 . 2 . . . . 24 VAL CG2 . 11300 1 208 . 1 1 24 24 VAL N N 15 121.020 0.300 . 1 . . . . 24 VAL N . 11300 1 209 . 1 1 25 25 MET H H 1 7.572 0.030 . 1 . . . . 25 MET H . 11300 1 210 . 1 1 25 25 MET HA H 1 4.008 0.030 . 1 . . . . 25 MET HA . 11300 1 211 . 1 1 25 25 MET HB2 H 1 2.134 0.030 . 2 . . . . 25 MET HB2 . 11300 1 212 . 1 1 25 25 MET HB3 H 1 2.069 0.030 . 2 . . . . 25 MET HB3 . 11300 1 213 . 1 1 25 25 MET HE1 H 1 2.103 0.030 . 1 . . . . 25 MET HE . 11300 1 214 . 1 1 25 25 MET HE2 H 1 2.103 0.030 . 1 . . . . 25 MET HE . 11300 1 215 . 1 1 25 25 MET HE3 H 1 2.103 0.030 . 1 . . . . 25 MET HE . 11300 1 216 . 1 1 25 25 MET HG2 H 1 2.731 0.030 . 2 . . . . 25 MET HG2 . 11300 1 217 . 1 1 25 25 MET HG3 H 1 2.624 0.030 . 2 . . . . 25 MET HG3 . 11300 1 218 . 1 1 25 25 MET C C 13 177.250 0.300 . 1 . . . . 25 MET C . 11300 1 219 . 1 1 25 25 MET CA C 13 58.216 0.300 . 1 . . . . 25 MET CA . 11300 1 220 . 1 1 25 25 MET CB C 13 31.804 0.300 . 1 . . . . 25 MET CB . 11300 1 221 . 1 1 25 25 MET CE C 13 17.051 0.300 . 1 . . . . 25 MET CE . 11300 1 222 . 1 1 25 25 MET CG C 13 32.039 0.300 . 1 . . . . 25 MET CG . 11300 1 223 . 1 1 25 25 MET N N 15 118.840 0.300 . 1 . . . . 25 MET N . 11300 1 224 . 1 1 26 26 LYS H H 1 7.364 0.030 . 1 . . . . 26 LYS H . 11300 1 225 . 1 1 26 26 LYS HA H 1 3.923 0.030 . 1 . . . . 26 LYS HA . 11300 1 226 . 1 1 26 26 LYS HB2 H 1 1.438 0.030 . 2 . . . . 26 LYS HB2 . 11300 1 227 . 1 1 26 26 LYS HB3 H 1 1.214 0.030 . 2 . . . . 26 LYS HB3 . 11300 1 228 . 1 1 26 26 LYS HD2 H 1 1.330 0.030 . 2 . . . . 26 LYS HD2 . 11300 1 229 . 1 1 26 26 LYS HD3 H 1 1.224 0.030 . 2 . . . . 26 LYS HD3 . 11300 1 230 . 1 1 26 26 LYS HE2 H 1 2.761 0.030 . 2 . . . . 26 LYS HE2 . 11300 1 231 . 1 1 26 26 LYS HE3 H 1 2.695 0.030 . 2 . . . . 26 LYS HE3 . 11300 1 232 . 1 1 26 26 LYS HG2 H 1 0.866 0.030 . 2 . . . . 26 LYS HG2 . 11300 1 233 . 1 1 26 26 LYS HG3 H 1 0.285 0.030 . 2 . . . . 26 LYS HG3 . 11300 1 234 . 1 1 26 26 LYS C C 13 177.881 0.300 . 1 . . . . 26 LYS C . 11300 1 235 . 1 1 26 26 LYS CA C 13 58.662 0.300 . 1 . . . . 26 LYS CA . 11300 1 236 . 1 1 26 26 LYS CB C 13 33.777 0.300 . 1 . . . . 26 LYS CB . 11300 1 237 . 1 1 26 26 LYS CD C 13 29.328 0.300 . 1 . . . . 26 LYS CD . 11300 1 238 . 1 1 26 26 LYS CE C 13 42.056 0.300 . 1 . . . . 26 LYS CE . 11300 1 239 . 1 1 26 26 LYS CG C 13 24.405 0.300 . 1 . . . . 26 LYS CG . 11300 1 240 . 1 1 26 26 LYS N N 15 118.197 0.300 . 1 . . . . 26 LYS N . 11300 1 241 . 1 1 27 27 TYR H H 1 8.794 0.030 . 1 . . . . 27 TYR H . 11300 1 242 . 1 1 27 27 TYR HA H 1 4.478 0.030 . 1 . . . . 27 TYR HA . 11300 1 243 . 1 1 27 27 TYR HB2 H 1 2.933 0.030 . 2 . . . . 27 TYR HB2 . 11300 1 244 . 1 1 27 27 TYR HB3 H 1 2.500 0.030 . 2 . . . . 27 TYR HB3 . 11300 1 245 . 1 1 27 27 TYR HD1 H 1 7.078 0.030 . 1 . . . . 27 TYR HD1 . 11300 1 246 . 1 1 27 27 TYR HD2 H 1 7.078 0.030 . 1 . . . . 27 TYR HD2 . 11300 1 247 . 1 1 27 27 TYR HE1 H 1 6.716 0.030 . 1 . . . . 27 TYR HE1 . 11300 1 248 . 1 1 27 27 TYR HE2 H 1 6.716 0.030 . 1 . . . . 27 TYR HE2 . 11300 1 249 . 1 1 27 27 TYR C C 13 176.691 0.300 . 1 . . . . 27 TYR C . 11300 1 250 . 1 1 27 27 TYR CA C 13 58.248 0.300 . 1 . . . . 27 TYR CA . 11300 1 251 . 1 1 27 27 TYR CB C 13 38.802 0.300 . 1 . . . . 27 TYR CB . 11300 1 252 . 1 1 27 27 TYR CD1 C 13 132.538 0.300 . 1 . . . . 27 TYR CD1 . 11300 1 253 . 1 1 27 27 TYR CD2 C 13 132.538 0.300 . 1 . . . . 27 TYR CD2 . 11300 1 254 . 1 1 27 27 TYR CE1 C 13 117.643 0.300 . 1 . . . . 27 TYR CE1 . 11300 1 255 . 1 1 27 27 TYR CE2 C 13 117.643 0.300 . 1 . . . . 27 TYR CE2 . 11300 1 256 . 1 1 27 27 TYR N N 15 115.016 0.300 . 1 . . . . 27 TYR N . 11300 1 257 . 1 1 28 28 GLY H H 1 8.015 0.030 . 1 . . . . 28 GLY H . 11300 1 258 . 1 1 28 28 GLY HA2 H 1 4.149 0.030 . 2 . . . . 28 GLY HA2 . 11300 1 259 . 1 1 28 28 GLY HA3 H 1 3.691 0.030 . 2 . . . . 28 GLY HA3 . 11300 1 260 . 1 1 28 28 GLY C C 13 173.220 0.300 . 1 . . . . 28 GLY C . 11300 1 261 . 1 1 28 28 GLY CA C 13 44.340 0.300 . 1 . . . . 28 GLY CA . 11300 1 262 . 1 1 28 28 GLY N N 15 109.606 0.300 . 1 . . . . 28 GLY N . 11300 1 263 . 1 1 29 29 LYS H H 1 7.967 0.030 . 1 . . . . 29 LYS H . 11300 1 264 . 1 1 29 29 LYS HA H 1 3.533 0.030 . 1 . . . . 29 LYS HA . 11300 1 265 . 1 1 29 29 LYS HB2 H 1 2.369 0.030 . 2 . . . . 29 LYS HB2 . 11300 1 266 . 1 1 29 29 LYS HB3 H 1 1.520 0.030 . 2 . . . . 29 LYS HB3 . 11300 1 267 . 1 1 29 29 LYS HD2 H 1 1.773 0.030 . 2 . . . . 29 LYS HD2 . 11300 1 268 . 1 1 29 29 LYS HD3 H 1 1.683 0.030 . 2 . . . . 29 LYS HD3 . 11300 1 269 . 1 1 29 29 LYS HE2 H 1 3.004 0.030 . 2 . . . . 29 LYS HE2 . 11300 1 270 . 1 1 29 29 LYS HE3 H 1 2.863 0.030 . 2 . . . . 29 LYS HE3 . 11300 1 271 . 1 1 29 29 LYS HG2 H 1 1.063 0.030 . 2 . . . . 29 LYS HG2 . 11300 1 272 . 1 1 29 29 LYS HG3 H 1 0.961 0.030 . 2 . . . . 29 LYS HG3 . 11300 1 273 . 1 1 29 29 LYS C C 13 175.040 0.300 . 1 . . . . 29 LYS C . 11300 1 274 . 1 1 29 29 LYS CA C 13 56.597 0.300 . 1 . . . . 29 LYS CA . 11300 1 275 . 1 1 29 29 LYS CB C 13 32.292 0.300 . 1 . . . . 29 LYS CB . 11300 1 276 . 1 1 29 29 LYS CD C 13 29.614 0.300 . 1 . . . . 29 LYS CD . 11300 1 277 . 1 1 29 29 LYS CE C 13 42.320 0.300 . 1 . . . . 29 LYS CE . 11300 1 278 . 1 1 29 29 LYS CG C 13 26.133 0.300 . 1 . . . . 29 LYS CG . 11300 1 279 . 1 1 29 29 LYS N N 15 114.747 0.300 . 1 . . . . 29 LYS N . 11300 1 280 . 1 1 30 30 ASN H H 1 8.207 0.030 . 1 . . . . 30 ASN H . 11300 1 281 . 1 1 30 30 ASN HA H 1 4.994 0.030 . 1 . . . . 30 ASN HA . 11300 1 282 . 1 1 30 30 ASN HB2 H 1 2.906 0.030 . 2 . . . . 30 ASN HB2 . 11300 1 283 . 1 1 30 30 ASN HB3 H 1 2.556 0.030 . 2 . . . . 30 ASN HB3 . 11300 1 284 . 1 1 30 30 ASN HD21 H 1 7.625 0.030 . 2 . . . . 30 ASN HD21 . 11300 1 285 . 1 1 30 30 ASN HD22 H 1 6.938 0.030 . 2 . . . . 30 ASN HD22 . 11300 1 286 . 1 1 30 30 ASN C C 13 175.295 0.300 . 1 . . . . 30 ASN C . 11300 1 287 . 1 1 30 30 ASN CA C 13 52.329 0.300 . 1 . . . . 30 ASN CA . 11300 1 288 . 1 1 30 30 ASN CB C 13 39.667 0.300 . 1 . . . . 30 ASN CB . 11300 1 289 . 1 1 30 30 ASN N N 15 117.355 0.300 . 1 . . . . 30 ASN N . 11300 1 290 . 1 1 30 30 ASN ND2 N 15 113.043 0.300 . 1 . . . . 30 ASN ND2 . 11300 1 291 . 1 1 31 31 GLN H H 1 8.249 0.030 . 1 . . . . 31 GLN H . 11300 1 292 . 1 1 31 31 GLN HA H 1 4.670 0.030 . 1 . . . . 31 GLN HA . 11300 1 293 . 1 1 31 31 GLN HB2 H 1 2.121 0.030 . 2 . . . . 31 GLN HB2 . 11300 1 294 . 1 1 31 31 GLN HB3 H 1 1.131 0.030 . 2 . . . . 31 GLN HB3 . 11300 1 295 . 1 1 31 31 GLN HE21 H 1 7.539 0.030 . 2 . . . . 31 GLN HE21 . 11300 1 296 . 1 1 31 31 GLN HE22 H 1 6.940 0.030 . 2 . . . . 31 GLN HE22 . 11300 1 297 . 1 1 31 31 GLN HG2 H 1 2.297 0.030 . 2 . . . . 31 GLN HG2 . 11300 1 298 . 1 1 31 31 GLN HG3 H 1 2.085 0.030 . 2 . . . . 31 GLN HG3 . 11300 1 299 . 1 1 31 31 GLN C C 13 176.254 0.300 . 1 . . . . 31 GLN C . 11300 1 300 . 1 1 31 31 GLN CA C 13 54.208 0.300 . 1 . . . . 31 GLN CA . 11300 1 301 . 1 1 31 31 GLN CB C 13 29.052 0.300 . 1 . . . . 31 GLN CB . 11300 1 302 . 1 1 31 31 GLN CG C 13 33.306 0.300 . 1 . . . . 31 GLN CG . 11300 1 303 . 1 1 31 31 GLN N N 15 121.007 0.300 . 1 . . . . 31 GLN N . 11300 1 304 . 1 1 31 31 GLN NE2 N 15 112.998 0.300 . 1 . . . . 31 GLN NE2 . 11300 1 305 . 1 1 32 32 TRP H H 1 7.225 0.030 . 1 . . . . 32 TRP H . 11300 1 306 . 1 1 32 32 TRP HA H 1 4.175 0.030 . 1 . . . . 32 TRP HA . 11300 1 307 . 1 1 32 32 TRP HB2 H 1 3.609 0.030 . 2 . . . . 32 TRP HB2 . 11300 1 308 . 1 1 32 32 TRP HB3 H 1 3.148 0.030 . 2 . . . . 32 TRP HB3 . 11300 1 309 . 1 1 32 32 TRP HD1 H 1 7.634 0.030 . 1 . . . . 32 TRP HD1 . 11300 1 310 . 1 1 32 32 TRP HE1 H 1 10.143 0.030 . 1 . . . . 32 TRP HE1 . 11300 1 311 . 1 1 32 32 TRP HE3 H 1 7.283 0.030 . 1 . . . . 32 TRP HE3 . 11300 1 312 . 1 1 32 32 TRP HH2 H 1 6.591 0.030 . 1 . . . . 32 TRP HH2 . 11300 1 313 . 1 1 32 32 TRP HZ2 H 1 7.394 0.030 . 1 . . . . 32 TRP HZ2 . 11300 1 314 . 1 1 32 32 TRP HZ3 H 1 6.668 0.030 . 1 . . . . 32 TRP HZ3 . 11300 1 315 . 1 1 32 32 TRP C C 13 178.136 0.300 . 1 . . . . 32 TRP C . 11300 1 316 . 1 1 32 32 TRP CA C 13 60.019 0.300 . 1 . . . . 32 TRP CA . 11300 1 317 . 1 1 32 32 TRP CB C 13 29.101 0.300 . 1 . . . . 32 TRP CB . 11300 1 318 . 1 1 32 32 TRP CD1 C 13 128.745 0.300 . 1 . . . . 32 TRP CD1 . 11300 1 319 . 1 1 32 32 TRP CE3 C 13 119.612 0.300 . 1 . . . . 32 TRP CE3 . 11300 1 320 . 1 1 32 32 TRP CH2 C 13 124.908 0.300 . 1 . . . . 32 TRP CH2 . 11300 1 321 . 1 1 32 32 TRP CZ2 C 13 114.884 0.300 . 1 . . . . 32 TRP CZ2 . 11300 1 322 . 1 1 32 32 TRP CZ3 C 13 121.882 0.300 . 1 . . . . 32 TRP CZ3 . 11300 1 323 . 1 1 32 32 TRP N N 15 119.236 0.300 . 1 . . . . 32 TRP N . 11300 1 324 . 1 1 32 32 TRP NE1 N 15 131.080 0.300 . 1 . . . . 32 TRP NE1 . 11300 1 325 . 1 1 33 33 SER H H 1 8.648 0.030 . 1 . . . . 33 SER H . 11300 1 326 . 1 1 33 33 SER HA H 1 4.275 0.030 . 1 . . . . 33 SER HA . 11300 1 327 . 1 1 33 33 SER HB2 H 1 3.941 0.030 . 2 . . . . 33 SER HB2 . 11300 1 328 . 1 1 33 33 SER HB3 H 1 3.918 0.030 . 2 . . . . 33 SER HB3 . 11300 1 329 . 1 1 33 33 SER C C 13 176.606 0.300 . 1 . . . . 33 SER C . 11300 1 330 . 1 1 33 33 SER CA C 13 62.312 0.300 . 1 . . . . 33 SER CA . 11300 1 331 . 1 1 33 33 SER CB C 13 62.091 0.300 . 1 . . . . 33 SER CB . 11300 1 332 . 1 1 33 33 SER N N 15 113.857 0.300 . 1 . . . . 33 SER N . 11300 1 333 . 1 1 34 34 ARG H H 1 7.656 0.030 . 1 . . . . 34 ARG H . 11300 1 334 . 1 1 34 34 ARG HA H 1 4.002 0.030 . 1 . . . . 34 ARG HA . 11300 1 335 . 1 1 34 34 ARG HB2 H 1 1.689 0.030 . 2 . . . . 34 ARG HB2 . 11300 1 336 . 1 1 34 34 ARG HB3 H 1 1.526 0.030 . 2 . . . . 34 ARG HB3 . 11300 1 337 . 1 1 34 34 ARG HD2 H 1 2.582 0.030 . 2 . . . . 34 ARG HD2 . 11300 1 338 . 1 1 34 34 ARG HD3 H 1 2.475 0.030 . 2 . . . . 34 ARG HD3 . 11300 1 339 . 1 1 34 34 ARG HG2 H 1 1.255 0.030 . 2 . . . . 34 ARG HG2 . 11300 1 340 . 1 1 34 34 ARG HG3 H 1 1.023 0.030 . 2 . . . . 34 ARG HG3 . 11300 1 341 . 1 1 34 34 ARG C C 13 179.362 0.300 . 1 . . . . 34 ARG C . 11300 1 342 . 1 1 34 34 ARG CA C 13 58.590 0.300 . 1 . . . . 34 ARG CA . 11300 1 343 . 1 1 34 34 ARG CB C 13 29.838 0.300 . 1 . . . . 34 ARG CB . 11300 1 344 . 1 1 34 34 ARG CD C 13 43.128 0.300 . 1 . . . . 34 ARG CD . 11300 1 345 . 1 1 34 34 ARG CG C 13 26.177 0.300 . 1 . . . . 34 ARG CG . 11300 1 346 . 1 1 34 34 ARG N N 15 124.107 0.300 . 1 . . . . 34 ARG N . 11300 1 347 . 1 1 35 35 ILE H H 1 7.847 0.030 . 1 . . . . 35 ILE H . 11300 1 348 . 1 1 35 35 ILE HA H 1 3.442 0.030 . 1 . . . . 35 ILE HA . 11300 1 349 . 1 1 35 35 ILE HB H 1 1.900 0.030 . 1 . . . . 35 ILE HB . 11300 1 350 . 1 1 35 35 ILE HD11 H 1 0.449 0.030 . 1 . . . . 35 ILE HD1 . 11300 1 351 . 1 1 35 35 ILE HD12 H 1 0.449 0.030 . 1 . . . . 35 ILE HD1 . 11300 1 352 . 1 1 35 35 ILE HD13 H 1 0.449 0.030 . 1 . . . . 35 ILE HD1 . 11300 1 353 . 1 1 35 35 ILE HG12 H 1 1.574 0.030 . 2 . . . . 35 ILE HG12 . 11300 1 354 . 1 1 35 35 ILE HG13 H 1 0.814 0.030 . 2 . . . . 35 ILE HG13 . 11300 1 355 . 1 1 35 35 ILE HG21 H 1 1.024 0.030 . 1 . . . . 35 ILE HG2 . 11300 1 356 . 1 1 35 35 ILE HG22 H 1 1.024 0.030 . 1 . . . . 35 ILE HG2 . 11300 1 357 . 1 1 35 35 ILE HG23 H 1 1.024 0.030 . 1 . . . . 35 ILE HG2 . 11300 1 358 . 1 1 35 35 ILE C C 13 177.238 0.300 . 1 . . . . 35 ILE C . 11300 1 359 . 1 1 35 35 ILE CA C 13 65.967 0.300 . 1 . . . . 35 ILE CA . 11300 1 360 . 1 1 35 35 ILE CB C 13 37.558 0.300 . 1 . . . . 35 ILE CB . 11300 1 361 . 1 1 35 35 ILE CD1 C 13 13.699 0.300 . 1 . . . . 35 ILE CD1 . 11300 1 362 . 1 1 35 35 ILE CG1 C 13 29.597 0.300 . 1 . . . . 35 ILE CG1 . 11300 1 363 . 1 1 35 35 ILE CG2 C 13 17.041 0.300 . 1 . . . . 35 ILE CG2 . 11300 1 364 . 1 1 35 35 ILE N N 15 120.220 0.300 . 1 . . . . 35 ILE N . 11300 1 365 . 1 1 36 36 ALA H H 1 8.440 0.030 . 1 . . . . 36 ALA H . 11300 1 366 . 1 1 36 36 ALA HA H 1 4.118 0.030 . 1 . . . . 36 ALA HA . 11300 1 367 . 1 1 36 36 ALA HB1 H 1 1.522 0.030 . 1 . . . . 36 ALA HB . 11300 1 368 . 1 1 36 36 ALA HB2 H 1 1.522 0.030 . 1 . . . . 36 ALA HB . 11300 1 369 . 1 1 36 36 ALA HB3 H 1 1.522 0.030 . 1 . . . . 36 ALA HB . 11300 1 370 . 1 1 36 36 ALA C C 13 180.102 0.300 . 1 . . . . 36 ALA C . 11300 1 371 . 1 1 36 36 ALA CA C 13 55.376 0.300 . 1 . . . . 36 ALA CA . 11300 1 372 . 1 1 36 36 ALA CB C 13 17.750 0.300 . 1 . . . . 36 ALA CB . 11300 1 373 . 1 1 36 36 ALA N N 15 120.151 0.300 . 1 . . . . 36 ALA N . 11300 1 374 . 1 1 37 37 SER H H 1 7.386 0.030 . 1 . . . . 37 SER H . 11300 1 375 . 1 1 37 37 SER HA H 1 4.324 0.030 . 1 . . . . 37 SER HA . 11300 1 376 . 1 1 37 37 SER HB2 H 1 4.005 0.030 . 1 . . . . 37 SER HB2 . 11300 1 377 . 1 1 37 37 SER HB3 H 1 4.005 0.030 . 1 . . . . 37 SER HB3 . 11300 1 378 . 1 1 37 37 SER C C 13 175.271 0.300 . 1 . . . . 37 SER C . 11300 1 379 . 1 1 37 37 SER CA C 13 61.072 0.300 . 1 . . . . 37 SER CA . 11300 1 380 . 1 1 37 37 SER CB C 13 63.275 0.300 . 1 . . . . 37 SER CB . 11300 1 381 . 1 1 37 37 SER N N 15 112.176 0.300 . 1 . . . . 37 SER N . 11300 1 382 . 1 1 38 38 LEU H H 1 7.865 0.030 . 1 . . . . 38 LEU H . 11300 1 383 . 1 1 38 38 LEU HA H 1 4.317 0.030 . 1 . . . . 38 LEU HA . 11300 1 384 . 1 1 38 38 LEU HB2 H 1 2.063 0.030 . 2 . . . . 38 LEU HB2 . 11300 1 385 . 1 1 38 38 LEU HB3 H 1 1.600 0.030 . 2 . . . . 38 LEU HB3 . 11300 1 386 . 1 1 38 38 LEU HD11 H 1 1.012 0.030 . 1 . . . . 38 LEU HD1 . 11300 1 387 . 1 1 38 38 LEU HD12 H 1 1.012 0.030 . 1 . . . . 38 LEU HD1 . 11300 1 388 . 1 1 38 38 LEU HD13 H 1 1.012 0.030 . 1 . . . . 38 LEU HD1 . 11300 1 389 . 1 1 38 38 LEU HD21 H 1 0.897 0.030 . 1 . . . . 38 LEU HD2 . 11300 1 390 . 1 1 38 38 LEU HD22 H 1 0.897 0.030 . 1 . . . . 38 LEU HD2 . 11300 1 391 . 1 1 38 38 LEU HD23 H 1 0.897 0.030 . 1 . . . . 38 LEU HD2 . 11300 1 392 . 1 1 38 38 LEU HG H 1 1.852 0.030 . 1 . . . . 38 LEU HG . 11300 1 393 . 1 1 38 38 LEU C C 13 176.922 0.300 . 1 . . . . 38 LEU C . 11300 1 394 . 1 1 38 38 LEU CA C 13 55.382 0.300 . 1 . . . . 38 LEU CA . 11300 1 395 . 1 1 38 38 LEU CB C 13 42.139 0.300 . 1 . . . . 38 LEU CB . 11300 1 396 . 1 1 38 38 LEU CD1 C 13 26.231 0.300 . 2 . . . . 38 LEU CD1 . 11300 1 397 . 1 1 38 38 LEU CD2 C 13 22.159 0.300 . 2 . . . . 38 LEU CD2 . 11300 1 398 . 1 1 38 38 LEU CG C 13 26.612 0.300 . 1 . . . . 38 LEU CG . 11300 1 399 . 1 1 38 38 LEU N N 15 120.825 0.300 . 1 . . . . 38 LEU N . 11300 1 400 . 1 1 39 39 LEU H H 1 7.519 0.030 . 1 . . . . 39 LEU H . 11300 1 401 . 1 1 39 39 LEU HA H 1 4.616 0.030 . 1 . . . . 39 LEU HA . 11300 1 402 . 1 1 39 39 LEU HB2 H 1 1.725 0.030 . 2 . . . . 39 LEU HB2 . 11300 1 403 . 1 1 39 39 LEU HB3 H 1 1.508 0.030 . 2 . . . . 39 LEU HB3 . 11300 1 404 . 1 1 39 39 LEU HD11 H 1 1.200 0.030 . 1 . . . . 39 LEU HD1 . 11300 1 405 . 1 1 39 39 LEU HD12 H 1 1.200 0.030 . 1 . . . . 39 LEU HD1 . 11300 1 406 . 1 1 39 39 LEU HD13 H 1 1.200 0.030 . 1 . . . . 39 LEU HD1 . 11300 1 407 . 1 1 39 39 LEU HD21 H 1 1.152 0.030 . 1 . . . . 39 LEU HD2 . 11300 1 408 . 1 1 39 39 LEU HD22 H 1 1.152 0.030 . 1 . . . . 39 LEU HD2 . 11300 1 409 . 1 1 39 39 LEU HD23 H 1 1.152 0.030 . 1 . . . . 39 LEU HD2 . 11300 1 410 . 1 1 39 39 LEU HG H 1 1.687 0.030 . 1 . . . . 39 LEU HG . 11300 1 411 . 1 1 39 39 LEU C C 13 175.744 0.300 . 1 . . . . 39 LEU C . 11300 1 412 . 1 1 39 39 LEU CA C 13 53.450 0.300 . 1 . . . . 39 LEU CA . 11300 1 413 . 1 1 39 39 LEU CB C 13 44.218 0.300 . 1 . . . . 39 LEU CB . 11300 1 414 . 1 1 39 39 LEU CD1 C 13 27.624 0.300 . 2 . . . . 39 LEU CD1 . 11300 1 415 . 1 1 39 39 LEU CD2 C 13 25.655 0.300 . 2 . . . . 39 LEU CD2 . 11300 1 416 . 1 1 39 39 LEU CG C 13 27.948 0.300 . 1 . . . . 39 LEU CG . 11300 1 417 . 1 1 39 39 LEU N N 15 121.521 0.300 . 1 . . . . 39 LEU N . 11300 1 418 . 1 1 40 40 HIS H H 1 8.613 0.030 . 1 . . . . 40 HIS H . 11300 1 419 . 1 1 40 40 HIS HA H 1 4.541 0.030 . 1 . . . . 40 HIS HA . 11300 1 420 . 1 1 40 40 HIS HB2 H 1 3.077 0.030 . 2 . . . . 40 HIS HB2 . 11300 1 421 . 1 1 40 40 HIS HB3 H 1 3.008 0.030 . 2 . . . . 40 HIS HB3 . 11300 1 422 . 1 1 40 40 HIS HD2 H 1 6.971 0.030 . 1 . . . . 40 HIS HD2 . 11300 1 423 . 1 1 40 40 HIS HE1 H 1 7.755 0.030 . 1 . . . . 40 HIS HE1 . 11300 1 424 . 1 1 40 40 HIS C C 13 175.805 0.300 . 1 . . . . 40 HIS C . 11300 1 425 . 1 1 40 40 HIS CA C 13 57.751 0.300 . 1 . . . . 40 HIS CA . 11300 1 426 . 1 1 40 40 HIS CB C 13 30.809 0.300 . 1 . . . . 40 HIS CB . 11300 1 427 . 1 1 40 40 HIS CD2 C 13 119.911 0.300 . 1 . . . . 40 HIS CD2 . 11300 1 428 . 1 1 40 40 HIS CE1 C 13 138.527 0.300 . 1 . . . . 40 HIS CE1 . 11300 1 429 . 1 1 40 40 HIS N N 15 121.459 0.300 . 1 . . . . 40 HIS N . 11300 1 430 . 1 1 41 41 ARG H H 1 8.846 0.030 . 1 . . . . 41 ARG H . 11300 1 431 . 1 1 41 41 ARG HA H 1 3.946 0.030 . 1 . . . . 41 ARG HA . 11300 1 432 . 1 1 41 41 ARG HB2 H 1 1.851 0.030 . 2 . . . . 41 ARG HB2 . 11300 1 433 . 1 1 41 41 ARG HB3 H 1 1.521 0.030 . 2 . . . . 41 ARG HB3 . 11300 1 434 . 1 1 41 41 ARG HD2 H 1 3.030 0.030 . 1 . . . . 41 ARG HD2 . 11300 1 435 . 1 1 41 41 ARG HD3 H 1 3.030 0.030 . 1 . . . . 41 ARG HD3 . 11300 1 436 . 1 1 41 41 ARG HG2 H 1 1.223 0.030 . 2 . . . . 41 ARG HG2 . 11300 1 437 . 1 1 41 41 ARG HG3 H 1 1.036 0.030 . 2 . . . . 41 ARG HG3 . 11300 1 438 . 1 1 41 41 ARG C C 13 175.259 0.300 . 1 . . . . 41 ARG C . 11300 1 439 . 1 1 41 41 ARG CA C 13 56.495 0.300 . 1 . . . . 41 ARG CA . 11300 1 440 . 1 1 41 41 ARG CB C 13 29.098 0.300 . 1 . . . . 41 ARG CB . 11300 1 441 . 1 1 41 41 ARG CD C 13 43.378 0.300 . 1 . . . . 41 ARG CD . 11300 1 442 . 1 1 41 41 ARG CG C 13 27.153 0.300 . 1 . . . . 41 ARG CG . 11300 1 443 . 1 1 41 41 ARG N N 15 119.298 0.300 . 1 . . . . 41 ARG N . 11300 1 444 . 1 1 42 42 LYS H H 1 7.594 0.030 . 1 . . . . 42 LYS H . 11300 1 445 . 1 1 42 42 LYS HA H 1 4.943 0.030 . 1 . . . . 42 LYS HA . 11300 1 446 . 1 1 42 42 LYS HB2 H 1 1.636 0.030 . 2 . . . . 42 LYS HB2 . 11300 1 447 . 1 1 42 42 LYS HB3 H 1 1.489 0.030 . 2 . . . . 42 LYS HB3 . 11300 1 448 . 1 1 42 42 LYS HD2 H 1 1.324 0.030 . 2 . . . . 42 LYS HD2 . 11300 1 449 . 1 1 42 42 LYS HD3 H 1 0.584 0.030 . 2 . . . . 42 LYS HD3 . 11300 1 450 . 1 1 42 42 LYS HE2 H 1 1.185 0.030 . 2 . . . . 42 LYS HE2 . 11300 1 451 . 1 1 42 42 LYS HE3 H 1 0.776 0.030 . 2 . . . . 42 LYS HE3 . 11300 1 452 . 1 1 42 42 LYS HG2 H 1 0.891 0.030 . 2 . . . . 42 LYS HG2 . 11300 1 453 . 1 1 42 42 LYS HG3 H 1 0.365 0.030 . 2 . . . . 42 LYS HG3 . 11300 1 454 . 1 1 42 42 LYS C C 13 175.501 0.300 . 1 . . . . 42 LYS C . 11300 1 455 . 1 1 42 42 LYS CA C 13 52.712 0.300 . 1 . . . . 42 LYS CA . 11300 1 456 . 1 1 42 42 LYS CB C 13 36.288 0.300 . 1 . . . . 42 LYS CB . 11300 1 457 . 1 1 42 42 LYS CD C 13 28.833 0.300 . 1 . . . . 42 LYS CD . 11300 1 458 . 1 1 42 42 LYS CE C 13 40.985 0.300 . 1 . . . . 42 LYS CE . 11300 1 459 . 1 1 42 42 LYS CG C 13 23.928 0.300 . 1 . . . . 42 LYS CG . 11300 1 460 . 1 1 42 42 LYS N N 15 116.889 0.300 . 1 . . . . 42 LYS N . 11300 1 461 . 1 1 43 43 SER H H 1 8.953 0.030 . 1 . . . . 43 SER H . 11300 1 462 . 1 1 43 43 SER HA H 1 4.725 0.030 . 1 . . . . 43 SER HA . 11300 1 463 . 1 1 43 43 SER HB2 H 1 4.437 0.030 . 2 . . . . 43 SER HB2 . 11300 1 464 . 1 1 43 43 SER HB3 H 1 3.940 0.030 . 2 . . . . 43 SER HB3 . 11300 1 465 . 1 1 43 43 SER C C 13 176.194 0.300 . 1 . . . . 43 SER C . 11300 1 466 . 1 1 43 43 SER CA C 13 56.153 0.300 . 1 . . . . 43 SER CA . 11300 1 467 . 1 1 43 43 SER CB C 13 66.573 0.300 . 1 . . . . 43 SER CB . 11300 1 468 . 1 1 43 43 SER N N 15 117.286 0.300 . 1 . . . . 43 SER N . 11300 1 469 . 1 1 44 44 ALA H H 1 9.281 0.030 . 1 . . . . 44 ALA H . 11300 1 470 . 1 1 44 44 ALA HA H 1 4.054 0.030 . 1 . . . . 44 ALA HA . 11300 1 471 . 1 1 44 44 ALA HB1 H 1 1.455 0.030 . 1 . . . . 44 ALA HB . 11300 1 472 . 1 1 44 44 ALA HB2 H 1 1.455 0.030 . 1 . . . . 44 ALA HB . 11300 1 473 . 1 1 44 44 ALA HB3 H 1 1.455 0.030 . 1 . . . . 44 ALA HB . 11300 1 474 . 1 1 44 44 ALA C C 13 179.495 0.300 . 1 . . . . 44 ALA C . 11300 1 475 . 1 1 44 44 ALA CA C 13 56.668 0.300 . 1 . . . . 44 ALA CA . 11300 1 476 . 1 1 44 44 ALA CB C 13 18.122 0.300 . 1 . . . . 44 ALA CB . 11300 1 477 . 1 1 44 44 ALA N N 15 125.351 0.300 . 1 . . . . 44 ALA N . 11300 1 478 . 1 1 45 45 LYS H H 1 8.325 0.030 . 1 . . . . 45 LYS H . 11300 1 479 . 1 1 45 45 LYS HA H 1 3.870 0.030 . 1 . . . . 45 LYS HA . 11300 1 480 . 1 1 45 45 LYS HB2 H 1 1.855 0.030 . 2 . . . . 45 LYS HB2 . 11300 1 481 . 1 1 45 45 LYS HB3 H 1 1.742 0.030 . 2 . . . . 45 LYS HB3 . 11300 1 482 . 1 1 45 45 LYS HD2 H 1 1.679 0.030 . 1 . . . . 45 LYS HD2 . 11300 1 483 . 1 1 45 45 LYS HD3 H 1 1.679 0.030 . 1 . . . . 45 LYS HD3 . 11300 1 484 . 1 1 45 45 LYS HE2 H 1 2.992 0.030 . 1 . . . . 45 LYS HE2 . 11300 1 485 . 1 1 45 45 LYS HE3 H 1 2.992 0.030 . 1 . . . . 45 LYS HE3 . 11300 1 486 . 1 1 45 45 LYS HG2 H 1 1.523 0.030 . 2 . . . . 45 LYS HG2 . 11300 1 487 . 1 1 45 45 LYS HG3 H 1 1.402 0.030 . 2 . . . . 45 LYS HG3 . 11300 1 488 . 1 1 45 45 LYS C C 13 179.738 0.300 . 1 . . . . 45 LYS C . 11300 1 489 . 1 1 45 45 LYS CA C 13 59.831 0.300 . 1 . . . . 45 LYS CA . 11300 1 490 . 1 1 45 45 LYS CB C 13 32.755 0.300 . 1 . . . . 45 LYS CB . 11300 1 491 . 1 1 45 45 LYS CD C 13 29.555 0.300 . 1 . . . . 45 LYS CD . 11300 1 492 . 1 1 45 45 LYS CE C 13 42.129 0.300 . 1 . . . . 45 LYS CE . 11300 1 493 . 1 1 45 45 LYS CG C 13 25.264 0.300 . 1 . . . . 45 LYS CG . 11300 1 494 . 1 1 45 45 LYS N N 15 117.200 0.300 . 1 . . . . 45 LYS N . 11300 1 495 . 1 1 46 46 GLN H H 1 7.915 0.030 . 1 . . . . 46 GLN H . 11300 1 496 . 1 1 46 46 GLN HA H 1 4.242 0.030 . 1 . . . . 46 GLN HA . 11300 1 497 . 1 1 46 46 GLN HB2 H 1 2.655 0.030 . 2 . . . . 46 GLN HB2 . 11300 1 498 . 1 1 46 46 GLN HB3 H 1 2.252 0.030 . 2 . . . . 46 GLN HB3 . 11300 1 499 . 1 1 46 46 GLN HE21 H 1 7.551 0.030 . 2 . . . . 46 GLN HE21 . 11300 1 500 . 1 1 46 46 GLN HE22 H 1 6.891 0.030 . 2 . . . . 46 GLN HE22 . 11300 1 501 . 1 1 46 46 GLN HG2 H 1 2.549 0.030 . 2 . . . . 46 GLN HG2 . 11300 1 502 . 1 1 46 46 GLN HG3 H 1 2.516 0.030 . 2 . . . . 46 GLN HG3 . 11300 1 503 . 1 1 46 46 GLN C C 13 179.872 0.300 . 1 . . . . 46 GLN C . 11300 1 504 . 1 1 46 46 GLN CA C 13 58.976 0.300 . 1 . . . . 46 GLN CA . 11300 1 505 . 1 1 46 46 GLN CB C 13 29.555 0.300 . 1 . . . . 46 GLN CB . 11300 1 506 . 1 1 46 46 GLN CG C 13 35.238 0.300 . 1 . . . . 46 GLN CG . 11300 1 507 . 1 1 46 46 GLN N N 15 118.899 0.300 . 1 . . . . 46 GLN N . 11300 1 508 . 1 1 46 46 GLN NE2 N 15 111.300 0.300 . 1 . . . . 46 GLN NE2 . 11300 1 509 . 1 1 47 47 CYS H H 1 8.554 0.030 . 1 . . . . 47 CYS H . 11300 1 510 . 1 1 47 47 CYS HA H 1 4.347 0.030 . 1 . . . . 47 CYS HA . 11300 1 511 . 1 1 47 47 CYS HB2 H 1 3.576 0.030 . 2 . . . . 47 CYS HB2 . 11300 1 512 . 1 1 47 47 CYS HB3 H 1 2.863 0.030 . 2 . . . . 47 CYS HB3 . 11300 1 513 . 1 1 47 47 CYS C C 13 174.312 0.300 . 1 . . . . 47 CYS C . 11300 1 514 . 1 1 47 47 CYS CA C 13 64.554 0.300 . 1 . . . . 47 CYS CA . 11300 1 515 . 1 1 47 47 CYS CB C 13 27.378 0.300 . 1 . . . . 47 CYS CB . 11300 1 516 . 1 1 47 47 CYS N N 15 119.570 0.300 . 1 . . . . 47 CYS N . 11300 1 517 . 1 1 48 48 LYS H H 1 7.686 0.030 . 1 . . . . 48 LYS H . 11300 1 518 . 1 1 48 48 LYS HA H 1 1.890 0.030 . 1 . . . . 48 LYS HA . 11300 1 519 . 1 1 48 48 LYS HB2 H 1 1.313 0.030 . 2 . . . . 48 LYS HB2 . 11300 1 520 . 1 1 48 48 LYS HB3 H 1 0.362 0.030 . 2 . . . . 48 LYS HB3 . 11300 1 521 . 1 1 48 48 LYS HD2 H 1 1.408 0.030 . 1 . . . . 48 LYS HD2 . 11300 1 522 . 1 1 48 48 LYS HD3 H 1 1.408 0.030 . 1 . . . . 48 LYS HD3 . 11300 1 523 . 1 1 48 48 LYS HE2 H 1 3.003 0.030 . 2 . . . . 48 LYS HE2 . 11300 1 524 . 1 1 48 48 LYS HE3 H 1 2.813 0.030 . 2 . . . . 48 LYS HE3 . 11300 1 525 . 1 1 48 48 LYS HG2 H 1 1.044 0.030 . 2 . . . . 48 LYS HG2 . 11300 1 526 . 1 1 48 48 LYS HG3 H 1 0.667 0.030 . 2 . . . . 48 LYS HG3 . 11300 1 527 . 1 1 48 48 LYS C C 13 177.444 0.300 . 1 . . . . 48 LYS C . 11300 1 528 . 1 1 48 48 LYS CA C 13 59.092 0.300 . 1 . . . . 48 LYS CA . 11300 1 529 . 1 1 48 48 LYS CB C 13 32.782 0.300 . 1 . . . . 48 LYS CB . 11300 1 530 . 1 1 48 48 LYS CD C 13 30.274 0.300 . 1 . . . . 48 LYS CD . 11300 1 531 . 1 1 48 48 LYS CE C 13 42.258 0.300 . 1 . . . . 48 LYS CE . 11300 1 532 . 1 1 48 48 LYS CG C 13 25.273 0.300 . 1 . . . . 48 LYS CG . 11300 1 533 . 1 1 48 48 LYS N N 15 120.560 0.300 . 1 . . . . 48 LYS N . 11300 1 534 . 1 1 49 49 ALA H H 1 7.526 0.030 . 1 . . . . 49 ALA H . 11300 1 535 . 1 1 49 49 ALA HA H 1 4.112 0.030 . 1 . . . . 49 ALA HA . 11300 1 536 . 1 1 49 49 ALA HB1 H 1 1.385 0.030 . 1 . . . . 49 ALA HB . 11300 1 537 . 1 1 49 49 ALA HB2 H 1 1.385 0.030 . 1 . . . . 49 ALA HB . 11300 1 538 . 1 1 49 49 ALA HB3 H 1 1.385 0.030 . 1 . . . . 49 ALA HB . 11300 1 539 . 1 1 49 49 ALA C C 13 179.131 0.300 . 1 . . . . 49 ALA C . 11300 1 540 . 1 1 49 49 ALA CA C 13 54.849 0.300 . 1 . . . . 49 ALA CA . 11300 1 541 . 1 1 49 49 ALA CB C 13 18.242 0.300 . 1 . . . . 49 ALA CB . 11300 1 542 . 1 1 49 49 ALA N N 15 118.191 0.300 . 1 . . . . 49 ALA N . 11300 1 543 . 1 1 50 50 ARG H H 1 7.883 0.030 . 1 . . . . 50 ARG H . 11300 1 544 . 1 1 50 50 ARG HA H 1 3.778 0.030 . 1 . . . . 50 ARG HA . 11300 1 545 . 1 1 50 50 ARG HB2 H 1 1.405 0.030 . 2 . . . . 50 ARG HB2 . 11300 1 546 . 1 1 50 50 ARG HB3 H 1 1.024 0.030 . 2 . . . . 50 ARG HB3 . 11300 1 547 . 1 1 50 50 ARG HD2 H 1 2.590 0.030 . 2 . . . . 50 ARG HD2 . 11300 1 548 . 1 1 50 50 ARG HD3 H 1 0.899 0.030 . 2 . . . . 50 ARG HD3 . 11300 1 549 . 1 1 50 50 ARG HE H 1 8.407 0.030 . 1 . . . . 50 ARG HE . 11300 1 550 . 1 1 50 50 ARG HG2 H 1 0.700 0.030 . 2 . . . . 50 ARG HG2 . 11300 1 551 . 1 1 50 50 ARG HG3 H 1 -0.530 0.030 . 2 . . . . 50 ARG HG3 . 11300 1 552 . 1 1 50 50 ARG C C 13 178.767 0.300 . 1 . . . . 50 ARG C . 11300 1 553 . 1 1 50 50 ARG CA C 13 57.240 0.300 . 1 . . . . 50 ARG CA . 11300 1 554 . 1 1 50 50 ARG CB C 13 30.434 0.300 . 1 . . . . 50 ARG CB . 11300 1 555 . 1 1 50 50 ARG CD C 13 42.988 0.300 . 1 . . . . 50 ARG CD . 11300 1 556 . 1 1 50 50 ARG CG C 13 23.664 0.300 . 1 . . . . 50 ARG CG . 11300 1 557 . 1 1 50 50 ARG N N 15 118.006 0.300 . 1 . . . . 50 ARG N . 11300 1 558 . 1 1 50 50 ARG NE N 15 85.469 0.300 . 1 . . . . 50 ARG NE . 11300 1 559 . 1 1 51 51 TRP H H 1 7.930 0.030 . 1 . . . . 51 TRP H . 11300 1 560 . 1 1 51 51 TRP HA H 1 4.145 0.030 . 1 . . . . 51 TRP HA . 11300 1 561 . 1 1 51 51 TRP HB2 H 1 3.159 0.030 . 1 . . . . 51 TRP HB2 . 11300 1 562 . 1 1 51 51 TRP HB3 H 1 3.159 0.030 . 1 . . . . 51 TRP HB3 . 11300 1 563 . 1 1 51 51 TRP HD1 H 1 5.257 0.030 . 1 . . . . 51 TRP HD1 . 11300 1 564 . 1 1 51 51 TRP HE1 H 1 10.033 0.030 . 1 . . . . 51 TRP HE1 . 11300 1 565 . 1 1 51 51 TRP HE3 H 1 7.204 0.030 . 1 . . . . 51 TRP HE3 . 11300 1 566 . 1 1 51 51 TRP HH2 H 1 7.175 0.030 . 1 . . . . 51 TRP HH2 . 11300 1 567 . 1 1 51 51 TRP HZ2 H 1 7.390 0.030 . 1 . . . . 51 TRP HZ2 . 11300 1 568 . 1 1 51 51 TRP HZ3 H 1 6.890 0.030 . 1 . . . . 51 TRP HZ3 . 11300 1 569 . 1 1 51 51 TRP CA C 13 61.091 0.300 . 1 . . . . 51 TRP CA . 11300 1 570 . 1 1 51 51 TRP CB C 13 29.780 0.300 . 1 . . . . 51 TRP CB . 11300 1 571 . 1 1 51 51 TRP CD1 C 13 127.092 0.300 . 1 . . . . 51 TRP CD1 . 11300 1 572 . 1 1 51 51 TRP CE3 C 13 120.413 0.300 . 1 . . . . 51 TRP CE3 . 11300 1 573 . 1 1 51 51 TRP CH2 C 13 124.757 0.300 . 1 . . . . 51 TRP CH2 . 11300 1 574 . 1 1 51 51 TRP CZ2 C 13 114.496 0.300 . 1 . . . . 51 TRP CZ2 . 11300 1 575 . 1 1 51 51 TRP CZ3 C 13 121.461 0.300 . 1 . . . . 51 TRP CZ3 . 11300 1 576 . 1 1 51 51 TRP N N 15 117.423 0.300 . 1 . . . . 51 TRP N . 11300 1 577 . 1 1 51 51 TRP NE1 N 15 128.994 0.300 . 1 . . . . 51 TRP NE1 . 11300 1 578 . 1 1 52 52 TYR H H 1 8.156 0.030 . 1 . . . . 52 TYR H . 11300 1 579 . 1 1 52 52 TYR HA H 1 3.924 0.030 . 1 . . . . 52 TYR HA . 11300 1 580 . 1 1 52 52 TYR HB2 H 1 3.101 0.030 . 2 . . . . 52 TYR HB2 . 11300 1 581 . 1 1 52 52 TYR HB3 H 1 2.806 0.030 . 2 . . . . 52 TYR HB3 . 11300 1 582 . 1 1 52 52 TYR HD1 H 1 7.466 0.030 . 1 . . . . 52 TYR HD1 . 11300 1 583 . 1 1 52 52 TYR HD2 H 1 7.466 0.030 . 1 . . . . 52 TYR HD2 . 11300 1 584 . 1 1 52 52 TYR HE1 H 1 7.129 0.030 . 1 . . . . 52 TYR HE1 . 11300 1 585 . 1 1 52 52 TYR HE2 H 1 7.129 0.030 . 1 . . . . 52 TYR HE2 . 11300 1 586 . 1 1 52 52 TYR C C 13 177.905 0.300 . 1 . . . . 52 TYR C . 11300 1 587 . 1 1 52 52 TYR CA C 13 63.129 0.300 . 1 . . . . 52 TYR CA . 11300 1 588 . 1 1 52 52 TYR CB C 13 38.159 0.300 . 1 . . . . 52 TYR CB . 11300 1 589 . 1 1 52 52 TYR CD1 C 13 133.952 0.300 . 1 . . . . 52 TYR CD1 . 11300 1 590 . 1 1 52 52 TYR CD2 C 13 133.952 0.300 . 1 . . . . 52 TYR CD2 . 11300 1 591 . 1 1 52 52 TYR CE1 C 13 117.952 0.300 . 1 . . . . 52 TYR CE1 . 11300 1 592 . 1 1 52 52 TYR CE2 C 13 117.952 0.300 . 1 . . . . 52 TYR CE2 . 11300 1 593 . 1 1 52 52 TYR N N 15 113.060 0.300 . 1 . . . . 52 TYR N . 11300 1 594 . 1 1 53 53 GLU H H 1 8.696 0.030 . 1 . . . . 53 GLU H . 11300 1 595 . 1 1 53 53 GLU HA H 1 4.223 0.030 . 1 . . . . 53 GLU HA . 11300 1 596 . 1 1 53 53 GLU HB2 H 1 2.080 0.030 . 2 . . . . 53 GLU HB2 . 11300 1 597 . 1 1 53 53 GLU HB3 H 1 1.894 0.030 . 2 . . . . 53 GLU HB3 . 11300 1 598 . 1 1 53 53 GLU HG2 H 1 2.392 0.030 . 2 . . . . 53 GLU HG2 . 11300 1 599 . 1 1 53 53 GLU HG3 H 1 2.129 0.030 . 2 . . . . 53 GLU HG3 . 11300 1 600 . 1 1 53 53 GLU C C 13 176.946 0.300 . 1 . . . . 53 GLU C . 11300 1 601 . 1 1 53 53 GLU CA C 13 56.994 0.300 . 1 . . . . 53 GLU CA . 11300 1 602 . 1 1 53 53 GLU CB C 13 30.066 0.300 . 1 . . . . 53 GLU CB . 11300 1 603 . 1 1 53 53 GLU CG C 13 36.700 0.300 . 1 . . . . 53 GLU CG . 11300 1 604 . 1 1 53 53 GLU N N 15 114.324 0.300 . 1 . . . . 53 GLU N . 11300 1 605 . 1 1 54 54 TRP H H 1 7.262 0.030 . 1 . . . . 54 TRP H . 11300 1 606 . 1 1 54 54 TRP HA H 1 4.713 0.030 . 1 . . . . 54 TRP HA . 11300 1 607 . 1 1 54 54 TRP HB2 H 1 2.988 0.030 . 1 . . . . 54 TRP HB2 . 11300 1 608 . 1 1 54 54 TRP HB3 H 1 2.988 0.030 . 1 . . . . 54 TRP HB3 . 11300 1 609 . 1 1 54 54 TRP HD1 H 1 6.733 0.030 . 1 . . . . 54 TRP HD1 . 11300 1 610 . 1 1 54 54 TRP HE1 H 1 9.937 0.030 . 1 . . . . 54 TRP HE1 . 11300 1 611 . 1 1 54 54 TRP HE3 H 1 7.608 0.030 . 1 . . . . 54 TRP HE3 . 11300 1 612 . 1 1 54 54 TRP HH2 H 1 7.195 0.030 . 1 . . . . 54 TRP HH2 . 11300 1 613 . 1 1 54 54 TRP HZ2 H 1 7.421 0.030 . 1 . . . . 54 TRP HZ2 . 11300 1 614 . 1 1 54 54 TRP C C 13 175.113 0.300 . 1 . . . . 54 TRP C . 11300 1 615 . 1 1 54 54 TRP CA C 13 58.789 0.300 . 1 . . . . 54 TRP CA . 11300 1 616 . 1 1 54 54 TRP CB C 13 32.868 0.300 . 1 . . . . 54 TRP CB . 11300 1 617 . 1 1 54 54 TRP CD1 C 13 126.555 0.300 . 1 . . . . 54 TRP CD1 . 11300 1 618 . 1 1 54 54 TRP CE3 C 13 120.945 0.300 . 1 . . . . 54 TRP CE3 . 11300 1 619 . 1 1 54 54 TRP CH2 C 13 124.466 0.300 . 1 . . . . 54 TRP CH2 . 11300 1 620 . 1 1 54 54 TRP CZ2 C 13 114.493 0.300 . 1 . . . . 54 TRP CZ2 . 11300 1 621 . 1 1 54 54 TRP N N 15 116.789 0.300 . 1 . . . . 54 TRP N . 11300 1 622 . 1 1 54 54 TRP NE1 N 15 128.259 0.300 . 1 . . . . 54 TRP NE1 . 11300 1 623 . 1 1 55 55 LEU H H 1 7.620 0.030 . 1 . . . . 55 LEU H . 11300 1 624 . 1 1 55 55 LEU HA H 1 3.906 0.030 . 1 . . . . 55 LEU HA . 11300 1 625 . 1 1 55 55 LEU HB2 H 1 1.443 0.030 . 2 . . . . 55 LEU HB2 . 11300 1 626 . 1 1 55 55 LEU HB3 H 1 1.191 0.030 . 2 . . . . 55 LEU HB3 . 11300 1 627 . 1 1 55 55 LEU HD11 H 1 0.996 0.030 . 1 . . . . 55 LEU HD1 . 11300 1 628 . 1 1 55 55 LEU HD12 H 1 0.996 0.030 . 1 . . . . 55 LEU HD1 . 11300 1 629 . 1 1 55 55 LEU HD13 H 1 0.996 0.030 . 1 . . . . 55 LEU HD1 . 11300 1 630 . 1 1 55 55 LEU HD21 H 1 0.791 0.030 . 1 . . . . 55 LEU HD2 . 11300 1 631 . 1 1 55 55 LEU HD22 H 1 0.791 0.030 . 1 . . . . 55 LEU HD2 . 11300 1 632 . 1 1 55 55 LEU HD23 H 1 0.791 0.030 . 1 . . . . 55 LEU HD2 . 11300 1 633 . 1 1 55 55 LEU HG H 1 1.532 0.030 . 1 . . . . 55 LEU HG . 11300 1 634 . 1 1 55 55 LEU C C 13 176.303 0.300 . 1 . . . . 55 LEU C . 11300 1 635 . 1 1 55 55 LEU CA C 13 55.881 0.300 . 1 . . . . 55 LEU CA . 11300 1 636 . 1 1 55 55 LEU CB C 13 44.117 0.300 . 1 . . . . 55 LEU CB . 11300 1 637 . 1 1 55 55 LEU CD1 C 13 26.822 0.300 . 2 . . . . 55 LEU CD1 . 11300 1 638 . 1 1 55 55 LEU CD2 C 13 22.692 0.300 . 2 . . . . 55 LEU CD2 . 11300 1 639 . 1 1 55 55 LEU CG C 13 26.836 0.300 . 1 . . . . 55 LEU CG . 11300 1 640 . 1 1 55 55 LEU N N 15 117.707 0.300 . 1 . . . . 55 LEU N . 11300 1 641 . 1 1 56 56 ASP H H 1 7.587 0.030 . 1 . . . . 56 ASP H . 11300 1 642 . 1 1 56 56 ASP HA H 1 3.261 0.030 . 1 . . . . 56 ASP HA . 11300 1 643 . 1 1 56 56 ASP HB2 H 1 2.184 0.030 . 2 . . . . 56 ASP HB2 . 11300 1 644 . 1 1 56 56 ASP HB3 H 1 1.326 0.030 . 2 . . . . 56 ASP HB3 . 11300 1 645 . 1 1 56 56 ASP C C 13 175.805 0.300 . 1 . . . . 56 ASP C . 11300 1 646 . 1 1 56 56 ASP CA C 13 52.316 0.300 . 1 . . . . 56 ASP CA . 11300 1 647 . 1 1 56 56 ASP CB C 13 41.068 0.300 . 1 . . . . 56 ASP CB . 11300 1 648 . 1 1 56 56 ASP N N 15 121.412 0.300 . 1 . . . . 56 ASP N . 11300 1 649 . 1 1 57 57 PRO HA H 1 4.234 0.030 . 1 . . . . 57 PRO HA . 11300 1 650 . 1 1 57 57 PRO HB2 H 1 2.230 0.030 . 2 . . . . 57 PRO HB2 . 11300 1 651 . 1 1 57 57 PRO HB3 H 1 1.928 0.030 . 2 . . . . 57 PRO HB3 . 11300 1 652 . 1 1 57 57 PRO HD2 H 1 3.723 0.030 . 1 . . . . 57 PRO HD2 . 11300 1 653 . 1 1 57 57 PRO HD3 H 1 3.723 0.030 . 1 . . . . 57 PRO HD3 . 11300 1 654 . 1 1 57 57 PRO HG2 H 1 1.977 0.030 . 1 . . . . 57 PRO HG2 . 11300 1 655 . 1 1 57 57 PRO HG3 H 1 1.977 0.030 . 1 . . . . 57 PRO HG3 . 11300 1 656 . 1 1 57 57 PRO C C 13 177.674 0.300 . 1 . . . . 57 PRO C . 11300 1 657 . 1 1 57 57 PRO CA C 13 64.109 0.300 . 1 . . . . 57 PRO CA . 11300 1 658 . 1 1 57 57 PRO CB C 13 31.934 0.300 . 1 . . . . 57 PRO CB . 11300 1 659 . 1 1 57 57 PRO CD C 13 51.481 0.300 . 1 . . . . 57 PRO CD . 11300 1 660 . 1 1 57 57 PRO CG C 13 27.115 0.300 . 1 . . . . 57 PRO CG . 11300 1 661 . 1 1 58 58 SER H H 1 8.497 0.030 . 1 . . . . 58 SER H . 11300 1 662 . 1 1 58 58 SER HA H 1 4.202 0.030 . 1 . . . . 58 SER HA . 11300 1 663 . 1 1 58 58 SER HB2 H 1 3.864 0.030 . 1 . . . . 58 SER HB2 . 11300 1 664 . 1 1 58 58 SER HB3 H 1 3.864 0.030 . 1 . . . . 58 SER HB3 . 11300 1 665 . 1 1 58 58 SER C C 13 175.028 0.300 . 1 . . . . 58 SER C . 11300 1 666 . 1 1 58 58 SER CA C 13 59.923 0.300 . 1 . . . . 58 SER CA . 11300 1 667 . 1 1 58 58 SER CB C 13 63.593 0.300 . 1 . . . . 58 SER CB . 11300 1 668 . 1 1 58 58 SER N N 15 114.622 0.300 . 1 . . . . 58 SER N . 11300 1 669 . 1 1 59 59 ILE H H 1 7.447 0.030 . 1 . . . . 59 ILE H . 11300 1 670 . 1 1 59 59 ILE HA H 1 3.886 0.030 . 1 . . . . 59 ILE HA . 11300 1 671 . 1 1 59 59 ILE HB H 1 1.654 0.030 . 1 . . . . 59 ILE HB . 11300 1 672 . 1 1 59 59 ILE HD11 H 1 0.613 0.030 . 1 . . . . 59 ILE HD1 . 11300 1 673 . 1 1 59 59 ILE HD12 H 1 0.613 0.030 . 1 . . . . 59 ILE HD1 . 11300 1 674 . 1 1 59 59 ILE HD13 H 1 0.613 0.030 . 1 . . . . 59 ILE HD1 . 11300 1 675 . 1 1 59 59 ILE HG12 H 1 1.295 0.030 . 2 . . . . 59 ILE HG12 . 11300 1 676 . 1 1 59 59 ILE HG13 H 1 1.039 0.030 . 2 . . . . 59 ILE HG13 . 11300 1 677 . 1 1 59 59 ILE HG21 H 1 0.728 0.030 . 1 . . . . 59 ILE HG2 . 11300 1 678 . 1 1 59 59 ILE HG22 H 1 0.728 0.030 . 1 . . . . 59 ILE HG2 . 11300 1 679 . 1 1 59 59 ILE HG23 H 1 0.728 0.030 . 1 . . . . 59 ILE HG2 . 11300 1 680 . 1 1 59 59 ILE C C 13 176.352 0.300 . 1 . . . . 59 ILE C . 11300 1 681 . 1 1 59 59 ILE CA C 13 61.867 0.300 . 1 . . . . 59 ILE CA . 11300 1 682 . 1 1 59 59 ILE CB C 13 38.225 0.300 . 1 . . . . 59 ILE CB . 11300 1 683 . 1 1 59 59 ILE CD1 C 13 13.203 0.300 . 1 . . . . 59 ILE CD1 . 11300 1 684 . 1 1 59 59 ILE CG1 C 13 27.740 0.300 . 1 . . . . 59 ILE CG1 . 11300 1 685 . 1 1 59 59 ILE CG2 C 13 17.389 0.300 . 1 . . . . 59 ILE CG2 . 11300 1 686 . 1 1 59 59 ILE N N 15 121.993 0.300 . 1 . . . . 59 ILE N . 11300 1 687 . 1 1 60 60 LYS H H 1 8.079 0.030 . 1 . . . . 60 LYS H . 11300 1 688 . 1 1 60 60 LYS HA H 1 4.198 0.030 . 1 . . . . 60 LYS HA . 11300 1 689 . 1 1 60 60 LYS HB2 H 1 1.734 0.030 . 2 . . . . 60 LYS HB2 . 11300 1 690 . 1 1 60 60 LYS HB3 H 1 1.678 0.030 . 2 . . . . 60 LYS HB3 . 11300 1 691 . 1 1 60 60 LYS HD2 H 1 1.579 0.030 . 1 . . . . 60 LYS HD2 . 11300 1 692 . 1 1 60 60 LYS HD3 H 1 1.579 0.030 . 1 . . . . 60 LYS HD3 . 11300 1 693 . 1 1 60 60 LYS HE2 H 1 2.892 0.030 . 1 . . . . 60 LYS HE2 . 11300 1 694 . 1 1 60 60 LYS HE3 H 1 2.892 0.030 . 1 . . . . 60 LYS HE3 . 11300 1 695 . 1 1 60 60 LYS HG2 H 1 1.374 0.030 . 2 . . . . 60 LYS HG2 . 11300 1 696 . 1 1 60 60 LYS HG3 H 1 1.302 0.030 . 2 . . . . 60 LYS HG3 . 11300 1 697 . 1 1 60 60 LYS C C 13 176.352 0.300 . 1 . . . . 60 LYS C . 11300 1 698 . 1 1 60 60 LYS CA C 13 56.155 0.300 . 1 . . . . 60 LYS CA . 11300 1 699 . 1 1 60 60 LYS CB C 13 32.450 0.300 . 1 . . . . 60 LYS CB . 11300 1 700 . 1 1 60 60 LYS CD C 13 28.790 0.300 . 1 . . . . 60 LYS CD . 11300 1 701 . 1 1 60 60 LYS CE C 13 42.139 0.300 . 1 . . . . 60 LYS CE . 11300 1 702 . 1 1 60 60 LYS CG C 13 24.670 0.300 . 1 . . . . 60 LYS CG . 11300 1 703 . 1 1 60 60 LYS N N 15 124.995 0.300 . 1 . . . . 60 LYS N . 11300 1 704 . 1 1 61 61 LYS H H 1 8.224 0.030 . 1 . . . . 61 LYS H . 11300 1 705 . 1 1 61 61 LYS HA H 1 4.276 0.030 . 1 . . . . 61 LYS HA . 11300 1 706 . 1 1 61 61 LYS HB2 H 1 1.727 0.030 . 2 . . . . 61 LYS HB2 . 11300 1 707 . 1 1 61 61 LYS HB3 H 1 1.622 0.030 . 2 . . . . 61 LYS HB3 . 11300 1 708 . 1 1 61 61 LYS HD2 H 1 1.441 0.030 . 1 . . . . 61 LYS HD2 . 11300 1 709 . 1 1 61 61 LYS HD3 H 1 1.441 0.030 . 1 . . . . 61 LYS HD3 . 11300 1 710 . 1 1 61 61 LYS HE2 H 1 2.679 0.030 . 1 . . . . 61 LYS HE2 . 11300 1 711 . 1 1 61 61 LYS HE3 H 1 2.679 0.030 . 1 . . . . 61 LYS HE3 . 11300 1 712 . 1 1 61 61 LYS HG2 H 1 1.276 0.030 . 2 . . . . 61 LYS HG2 . 11300 1 713 . 1 1 61 61 LYS HG3 H 1 1.174 0.030 . 2 . . . . 61 LYS HG3 . 11300 1 714 . 1 1 61 61 LYS C C 13 176.715 0.300 . 1 . . . . 61 LYS C . 11300 1 715 . 1 1 61 61 LYS CA C 13 56.178 0.300 . 1 . . . . 61 LYS CA . 11300 1 716 . 1 1 61 61 LYS CB C 13 33.001 0.300 . 1 . . . . 61 LYS CB . 11300 1 717 . 1 1 61 61 LYS CD C 13 28.836 0.300 . 1 . . . . 61 LYS CD . 11300 1 718 . 1 1 61 61 LYS CE C 13 42.139 0.300 . 1 . . . . 61 LYS CE . 11300 1 719 . 1 1 61 61 LYS CG C 13 24.620 0.300 . 1 . . . . 61 LYS CG . 11300 1 720 . 1 1 61 61 LYS N N 15 123.339 0.300 . 1 . . . . 61 LYS N . 11300 1 721 . 1 1 62 62 THR H H 1 8.120 0.030 . 1 . . . . 62 THR H . 11300 1 722 . 1 1 62 62 THR HA H 1 4.257 0.030 . 1 . . . . 62 THR HA . 11300 1 723 . 1 1 62 62 THR HB H 1 4.107 0.030 . 1 . . . . 62 THR HB . 11300 1 724 . 1 1 62 62 THR HG21 H 1 1.107 0.030 . 1 . . . . 62 THR HG2 . 11300 1 725 . 1 1 62 62 THR HG22 H 1 1.107 0.030 . 1 . . . . 62 THR HG2 . 11300 1 726 . 1 1 62 62 THR HG23 H 1 1.107 0.030 . 1 . . . . 62 THR HG2 . 11300 1 727 . 1 1 62 62 THR C C 13 174.543 0.300 . 1 . . . . 62 THR C . 11300 1 728 . 1 1 62 62 THR CA C 13 61.917 0.300 . 1 . . . . 62 THR CA . 11300 1 729 . 1 1 62 62 THR CB C 13 69.867 0.300 . 1 . . . . 62 THR CB . 11300 1 730 . 1 1 62 62 THR CG2 C 13 21.619 0.300 . 1 . . . . 62 THR CG2 . 11300 1 731 . 1 1 62 62 THR N N 15 114.886 0.300 . 1 . . . . 62 THR N . 11300 1 732 . 1 1 63 63 GLU H H 1 8.394 0.030 . 1 . . . . 63 GLU H . 11300 1 733 . 1 1 63 63 GLU HA H 1 4.282 0.030 . 1 . . . . 63 GLU HA . 11300 1 734 . 1 1 63 63 GLU HB2 H 1 1.970 0.030 . 2 . . . . 63 GLU HB2 . 11300 1 735 . 1 1 63 63 GLU HB3 H 1 1.857 0.030 . 2 . . . . 63 GLU HB3 . 11300 1 736 . 1 1 63 63 GLU HG2 H 1 2.174 0.030 . 2 . . . . 63 GLU HG2 . 11300 1 737 . 1 1 63 63 GLU HG3 H 1 2.128 0.030 . 2 . . . . 63 GLU HG3 . 11300 1 738 . 1 1 63 63 GLU C C 13 175.975 0.300 . 1 . . . . 63 GLU C . 11300 1 739 . 1 1 63 63 GLU CA C 13 56.418 0.300 . 1 . . . . 63 GLU CA . 11300 1 740 . 1 1 63 63 GLU CB C 13 30.258 0.300 . 1 . . . . 63 GLU CB . 11300 1 741 . 1 1 63 63 GLU CG C 13 36.190 0.300 . 1 . . . . 63 GLU CG . 11300 1 742 . 1 1 63 63 GLU N N 15 122.787 0.300 . 1 . . . . 63 GLU N . 11300 1 743 . 1 1 64 64 TRP H H 1 8.253 0.030 . 1 . . . . 64 TRP H . 11300 1 744 . 1 1 64 64 TRP HA H 1 4.680 0.030 . 1 . . . . 64 TRP HA . 11300 1 745 . 1 1 64 64 TRP HB2 H 1 3.258 0.030 . 2 . . . . 64 TRP HB2 . 11300 1 746 . 1 1 64 64 TRP HB3 H 1 3.211 0.030 . 2 . . . . 64 TRP HB3 . 11300 1 747 . 1 1 64 64 TRP HD1 H 1 7.225 0.030 . 1 . . . . 64 TRP HD1 . 11300 1 748 . 1 1 64 64 TRP HE1 H 1 10.089 0.030 . 1 . . . . 64 TRP HE1 . 11300 1 749 . 1 1 64 64 TRP HE3 H 1 7.601 0.030 . 1 . . . . 64 TRP HE3 . 11300 1 750 . 1 1 64 64 TRP HH2 H 1 7.189 0.030 . 1 . . . . 64 TRP HH2 . 11300 1 751 . 1 1 64 64 TRP HZ2 H 1 7.448 0.030 . 1 . . . . 64 TRP HZ2 . 11300 1 752 . 1 1 64 64 TRP C C 13 176.096 0.300 . 1 . . . . 64 TRP C . 11300 1 753 . 1 1 64 64 TRP CA C 13 57.435 0.300 . 1 . . . . 64 TRP CA . 11300 1 754 . 1 1 64 64 TRP CB C 13 29.779 0.300 . 1 . . . . 64 TRP CB . 11300 1 755 . 1 1 64 64 TRP CD1 C 13 127.321 0.300 . 1 . . . . 64 TRP CD1 . 11300 1 756 . 1 1 64 64 TRP CE3 C 13 120.993 0.300 . 1 . . . . 64 TRP CE3 . 11300 1 757 . 1 1 64 64 TRP CH2 C 13 124.614 0.300 . 1 . . . . 64 TRP CH2 . 11300 1 758 . 1 1 64 64 TRP CZ2 C 13 114.590 0.300 . 1 . . . . 64 TRP CZ2 . 11300 1 759 . 1 1 64 64 TRP N N 15 122.641 0.300 . 1 . . . . 64 TRP N . 11300 1 760 . 1 1 64 64 TRP NE1 N 15 129.600 0.300 . 1 . . . . 64 TRP NE1 . 11300 1 761 . 1 1 65 65 SER H H 1 8.067 0.030 . 1 . . . . 65 SER H . 11300 1 762 . 1 1 65 65 SER CA C 13 57.886 0.300 . 1 . . . . 65 SER CA . 11300 1 763 . 1 1 65 65 SER CB C 13 64.140 0.300 . 1 . . . . 65 SER CB . 11300 1 764 . 1 1 65 65 SER N N 15 118.887 0.300 . 1 . . . . 65 SER N . 11300 1 765 . 1 1 66 66 GLY H H 1 7.314 0.030 . 1 . . . . 66 GLY H . 11300 1 766 . 1 1 66 66 GLY HA2 H 1 3.867 0.030 . 2 . . . . 66 GLY HA2 . 11300 1 767 . 1 1 66 66 GLY HA3 H 1 3.743 0.030 . 2 . . . . 66 GLY HA3 . 11300 1 768 . 1 1 66 66 GLY CA C 13 44.503 0.300 . 1 . . . . 66 GLY CA . 11300 1 769 . 1 1 67 67 PRO HA H 1 4.458 0.030 . 1 . . . . 67 PRO HA . 11300 1 770 . 1 1 67 67 PRO HB2 H 1 2.296 0.030 . 2 . . . . 67 PRO HB2 . 11300 1 771 . 1 1 67 67 PRO HB3 H 1 1.972 0.030 . 2 . . . . 67 PRO HB3 . 11300 1 772 . 1 1 67 67 PRO HD2 H 1 3.593 0.030 . 2 . . . . 67 PRO HD2 . 11300 1 773 . 1 1 67 67 PRO HD3 H 1 3.548 0.030 . 2 . . . . 67 PRO HD3 . 11300 1 774 . 1 1 67 67 PRO HG2 H 1 2.017 0.030 . 1 . . . . 67 PRO HG2 . 11300 1 775 . 1 1 67 67 PRO HG3 H 1 2.017 0.030 . 1 . . . . 67 PRO HG3 . 11300 1 776 . 1 1 67 67 PRO CA C 13 63.233 0.300 . 1 . . . . 67 PRO CA . 11300 1 777 . 1 1 67 67 PRO CB C 13 32.232 0.300 . 1 . . . . 67 PRO CB . 11300 1 778 . 1 1 67 67 PRO CD C 13 49.737 0.300 . 1 . . . . 67 PRO CD . 11300 1 779 . 1 1 67 67 PRO CG C 13 27.186 0.300 . 1 . . . . 67 PRO CG . 11300 1 780 . 1 1 68 68 SER H H 1 8.522 0.030 . 1 . . . . 68 SER H . 11300 1 781 . 1 1 68 68 SER N N 15 116.504 0.300 . 1 . . . . 68 SER N . 11300 1 stop_ save_