data_10214 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10214 _Entry.Title ; Solution structure of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-22 _Entry.Accession_date 2008-04-22 _Entry.Last_release_date 2009-04-04 _Entry.Original_release_date 2009-04-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 S. Ohnishi . . . 10214 2 N. Tochio . . . 10214 3 T. Tomizawa . . . 10214 4 R. Akasaka . . . 10214 5 T. Harada . . . 10214 6 E. Seki . . . 10214 7 M. Sato . . . 10214 8 S. Watanabe . . . 10214 9 Y. Fujikura . . . 10214 10 S. Koshiba . . . 10214 11 T. Terada . . . 10214 12 M. Shirouzu . . . 10214 13 A. Tanaka . . . 10214 14 T. Kigawa . . . 10214 15 S. Yokoyama . . . 10214 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 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10214 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10214 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 253 10214 '15N chemical shifts' 57 10214 '1H chemical shifts' 369 10214 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 . . 2009-04-04 2008-04-22 original author . 10214 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YSE 'BMRB Entry Tracking System' 10214 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10214 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18562638 _Citation.Full_citation . _Citation.Title ; Structural basis for controlling the dimerization and stability of the WW domains of an atypical subfamily. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein Science' _Citation.Journal_volume 17 _Citation.Journal_issue 9 _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 1531 _Citation.Page_last 1541 _Citation.Year 2008 _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 S. Ohnishi . . . 10214 1 2 N. Tochio . . . 10214 1 3 T. Tomizawa . . . 10214 1 4 R. Akasaka . . . 10214 1 5 T. Harada . . . 10214 1 6 E. Seki . . . 10214 1 7 M. Sato . . . 10214 1 8 S. Watanabe . . . 10214 1 9 Y. Fujikura . . . 10214 1 10 S. Koshiba . . . 10214 1 11 T. Terada . . . 10214 1 12 M. Shirouzu . . . 10214 1 13 A. Tanaka . . . 10214 1 14 T. Kigawa . . . 10214 1 15 S. Yokoyama . . . 10214 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10214 _Assembly.ID 1 _Assembly.Name 'Membrane-associated guanylate kinase' _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 'WW domain' 1 $entity_1 . . yes native no no . . . 10214 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 . PDB 2YSE . . . . . . 10214 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10214 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'WW domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGLDSELELPAGWEK IEDPVYGIYYVDHINRKTQY ENPVLEAKRKKQLESGPSSG ; _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 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2YSE . "Solution Structure Of The Second Ww Domain From The Human Membrane-Associated Guanylate Kinase, Ww And Pdz Domain- Containing P" . . . . . 100.00 60 100.00 100.00 7.15e-34 . . . . 10214 1 2 no DBJ BAA32002 . "BAI1-associated protein 1 [Homo sapiens]" . . . . . 78.33 1256 100.00 100.00 1.10e-22 . . . . 10214 1 3 no DBJ BAD90296 . "mKIAA4129 protein [Mus musculus]" . . . . . 78.33 1125 97.87 100.00 1.66e-22 . . . . 10214 1 4 no DBJ BAE07184 . "MAGI1a [Mus musculus]" . . . . . 70.00 1235 97.62 100.00 2.47e-19 . . . . 10214 1 5 no DBJ BAE07185 . "MAGI1c [Mus musculus]" . . . . . 70.00 1470 97.62 100.00 2.80e-19 . . . . 10214 1 6 no DBJ BAE37498 . "unnamed protein product [Mus musculus]" . . . . . 78.33 1181 97.87 100.00 1.48e-22 . . . . 10214 1 7 no EMBL CAH91366 . "hypothetical protein [Pongo abelii]" . . . . . 78.33 1030 100.00 100.00 8.04e-23 . . . . 10214 1 8 no GB AAB91995 . "putative membrane-associated guanylate kinase 1 [Mus musculus]" . . . . . 70.00 1171 97.62 100.00 2.81e-19 . . . . 10214 1 9 no GB AAC04844 . "membrane associated guanylate kinase 1 [Homo sapiens]" . . . . . 78.33 677 100.00 100.00 5.26e-23 . . . . 10214 1 10 no GB AAH95943 . "Magi1 protein, partial [Mus musculus]" . . . . . 78.33 1115 97.87 100.00 1.85e-22 . . . . 10214 1 11 no GB AAI50821 . "Magi1 protein [Mus musculus]" . . . . . 78.33 1280 97.87 100.00 1.72e-22 . . . . 10214 1 12 no GB AAI67863 . "Membrane associated guanylate kinase, WW and PDZ domain containing 1 [synthetic construct]" . . . . . 78.33 1256 100.00 100.00 1.05e-22 . . . . 10214 1 13 no REF NP_001025021 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform c [Mus musculus]" . . . . . 78.33 1471 97.87 100.00 1.90e-22 . . . . 10214 1 14 no REF NP_001028229 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform c [Homo sapiens]" . . . . . 78.33 1462 100.00 100.00 1.19e-22 . . . . 10214 1 15 no REF NP_001076789 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform b [Mus musculus]" . . . . . 78.33 1255 97.87 100.00 1.52e-22 . . . . 10214 1 16 no REF NP_001076790 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform d [Mus musculus]" . . . . . 78.33 1020 97.87 100.00 1.28e-22 . . . . 10214 1 17 no REF NP_001125806 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 [Pongo abelii]" . . . . . 78.33 1030 100.00 100.00 8.04e-23 . . . . 10214 1 18 no SP Q6RHR9 . "RecName: Full=Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1; AltName: Full=BAI1-associated prote" . . . . . 78.33 1471 97.87 100.00 1.90e-22 . . . . 10214 1 19 no SP Q96QZ7 . "RecName: Full=Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1; AltName: Full=Atrophin-1-interactin" . . . . . 78.33 1491 100.00 100.00 1.17e-22 . . . . 10214 1 20 no TPG DAA17112 . "TPA: membrane associated guanylate kinase, WW and PDZ domain containing 1 [Bos taurus]" . . . . . 78.33 1452 100.00 100.00 1.12e-22 . . . . 10214 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'WW domain' . 10214 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 . 10214 1 2 . SER . 10214 1 3 . SER . 10214 1 4 . GLY . 10214 1 5 . SER . 10214 1 6 . SER . 10214 1 7 . GLY . 10214 1 8 . LEU . 10214 1 9 . ASP . 10214 1 10 . SER . 10214 1 11 . GLU . 10214 1 12 . LEU . 10214 1 13 . GLU . 10214 1 14 . LEU . 10214 1 15 . PRO . 10214 1 16 . ALA . 10214 1 17 . GLY . 10214 1 18 . TRP . 10214 1 19 . GLU . 10214 1 20 . LYS . 10214 1 21 . ILE . 10214 1 22 . GLU . 10214 1 23 . ASP . 10214 1 24 . PRO . 10214 1 25 . VAL . 10214 1 26 . TYR . 10214 1 27 . GLY . 10214 1 28 . ILE . 10214 1 29 . TYR . 10214 1 30 . TYR . 10214 1 31 . VAL . 10214 1 32 . ASP . 10214 1 33 . HIS . 10214 1 34 . ILE . 10214 1 35 . ASN . 10214 1 36 . ARG . 10214 1 37 . LYS . 10214 1 38 . THR . 10214 1 39 . GLN . 10214 1 40 . TYR . 10214 1 41 . GLU . 10214 1 42 . ASN . 10214 1 43 . PRO . 10214 1 44 . VAL . 10214 1 45 . LEU . 10214 1 46 . GLU . 10214 1 47 . ALA . 10214 1 48 . LYS . 10214 1 49 . ARG . 10214 1 50 . LYS . 10214 1 51 . LYS . 10214 1 52 . GLN . 10214 1 53 . LEU . 10214 1 54 . GLU . 10214 1 55 . SER . 10214 1 56 . GLY . 10214 1 57 . PRO . 10214 1 58 . SER . 10214 1 59 . SER . 10214 1 60 . GLY . 10214 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 10214 1 . SER 2 2 10214 1 . SER 3 3 10214 1 . GLY 4 4 10214 1 . SER 5 5 10214 1 . SER 6 6 10214 1 . GLY 7 7 10214 1 . LEU 8 8 10214 1 . ASP 9 9 10214 1 . SER 10 10 10214 1 . GLU 11 11 10214 1 . LEU 12 12 10214 1 . GLU 13 13 10214 1 . LEU 14 14 10214 1 . PRO 15 15 10214 1 . ALA 16 16 10214 1 . GLY 17 17 10214 1 . TRP 18 18 10214 1 . GLU 19 19 10214 1 . LYS 20 20 10214 1 . ILE 21 21 10214 1 . GLU 22 22 10214 1 . ASP 23 23 10214 1 . PRO 24 24 10214 1 . VAL 25 25 10214 1 . TYR 26 26 10214 1 . GLY 27 27 10214 1 . ILE 28 28 10214 1 . TYR 29 29 10214 1 . TYR 30 30 10214 1 . VAL 31 31 10214 1 . ASP 32 32 10214 1 . HIS 33 33 10214 1 . ILE 34 34 10214 1 . ASN 35 35 10214 1 . ARG 36 36 10214 1 . LYS 37 37 10214 1 . THR 38 38 10214 1 . GLN 39 39 10214 1 . TYR 40 40 10214 1 . GLU 41 41 10214 1 . ASN 42 42 10214 1 . PRO 43 43 10214 1 . VAL 44 44 10214 1 . LEU 45 45 10214 1 . GLU 46 46 10214 1 . ALA 47 47 10214 1 . LYS 48 48 10214 1 . ARG 49 49 10214 1 . LYS 50 50 10214 1 . LYS 51 51 10214 1 . GLN 52 52 10214 1 . LEU 53 53 10214 1 . GLU 54 54 10214 1 . SER 55 55 10214 1 . GLY 56 56 10214 1 . PRO 57 57 10214 1 . SER 58 58 10214 1 . SER 59 59 10214 1 . GLY 60 60 10214 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 10214 _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 . . . . . . . . . . . . . . . . . . . . . 10214 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 10214 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P061024-05 . . . . . . 10214 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10214 _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 'WW domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.0 . . mM . . . . 10214 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10214 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10214 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10214 1 5 NaN3 . . . . . . salt 0.02 . . mM . . . . 10214 1 6 H2O . . . . . . solvent 90 . . % . . . . 10214 1 7 D2O . . . . . . solvent 10 . . % . . . . 10214 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 10214 _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 10214 1 pH 7.0 0.05 pH 10214 1 pressure 1 0.001 atm 10214 1 temperature 296 0.1 K 10214 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10214 _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 . . 10214 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10214 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10214 _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.' . . 10214 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10214 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10214 _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.' . . 10214 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10214 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10214 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10214 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10214 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10214 _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.' . . 10214 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10214 5 'structure solution' 10214 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 10214 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10214 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10214 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 10214 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10214 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10214 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 10214 _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 . . . . . . . . . 10214 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10214 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10214 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 10214 _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 13C-separated NOESY' 1 $sample_1 isotropic 10214 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10214 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 5 5 SER N N 15 115.829 0.300 . 1 . . . . 5 SER N . 10214 1 2 . 1 1 5 5 SER CA C 13 58.317 0.300 . 1 . . . . 5 SER CA . 10214 1 3 . 1 1 5 5 SER CB C 13 63.703 0.300 . 1 . . . . 5 SER CB . 10214 1 4 . 1 1 5 5 SER C C 13 174.849 0.300 . 1 . . . . 5 SER C . 10214 1 5 . 1 1 6 6 SER N N 15 117.994 0.300 . 1 . . . . 6 SER N . 10214 1 6 . 1 1 6 6 SER CA C 13 58.677 0.300 . 1 . . . . 6 SER CA . 10214 1 7 . 1 1 6 6 SER HA H 1 4.501 0.030 . 1 . . . . 6 SER HA . 10214 1 8 . 1 1 6 6 SER CB C 13 63.732 0.300 . 1 . . . . 6 SER CB . 10214 1 9 . 1 1 6 6 SER HB2 H 1 4.224 0.030 . 2 . . . . 6 SER HB2 . 10214 1 10 . 1 1 6 6 SER C C 13 175.043 0.300 . 1 . . . . 6 SER C . 10214 1 11 . 1 1 7 7 GLY N N 15 110.716 0.300 . 1 . . . . 7 GLY N . 10214 1 12 . 1 1 7 7 GLY H H 1 8.429 0.030 . 1 . . . . 7 GLY H . 10214 1 13 . 1 1 7 7 GLY CA C 13 45.403 0.300 . 1 . . . . 7 GLY CA . 10214 1 14 . 1 1 7 7 GLY HA2 H 1 3.976 0.030 . 1 . . . . 7 GLY HA2 . 10214 1 15 . 1 1 7 7 GLY HA3 H 1 3.976 0.030 . 1 . . . . 7 GLY HA3 . 10214 1 16 . 1 1 7 7 GLY C C 13 174.231 0.300 . 1 . . . . 7 GLY C . 10214 1 17 . 1 1 8 8 LEU N N 15 121.547 0.300 . 1 . . . . 8 LEU N . 10214 1 18 . 1 1 8 8 LEU H H 1 8.132 0.030 . 1 . . . . 8 LEU H . 10214 1 19 . 1 1 8 8 LEU CA C 13 55.233 0.300 . 1 . . . . 8 LEU CA . 10214 1 20 . 1 1 8 8 LEU HA H 1 4.356 0.030 . 1 . . . . 8 LEU HA . 10214 1 21 . 1 1 8 8 LEU CB C 13 42.416 0.300 . 1 . . . . 8 LEU CB . 10214 1 22 . 1 1 8 8 LEU HB2 H 1 1.620 0.030 . 1 . . . . 8 LEU HB2 . 10214 1 23 . 1 1 8 8 LEU HB3 H 1 1.620 0.030 . 1 . . . . 8 LEU HB3 . 10214 1 24 . 1 1 8 8 LEU CG C 13 27.013 0.300 . 1 . . . . 8 LEU CG . 10214 1 25 . 1 1 8 8 LEU HG H 1 1.594 0.030 . 1 . . . . 8 LEU HG . 10214 1 26 . 1 1 8 8 LEU CD1 C 13 24.927 0.300 . 2 . . . . 8 LEU CD1 . 10214 1 27 . 1 1 8 8 LEU HD11 H 1 0.846 0.030 . 1 . . . . 8 LEU HD1 . 10214 1 28 . 1 1 8 8 LEU HD12 H 1 0.846 0.030 . 1 . . . . 8 LEU HD1 . 10214 1 29 . 1 1 8 8 LEU HD13 H 1 0.846 0.030 . 1 . . . . 8 LEU HD1 . 10214 1 30 . 1 1 8 8 LEU CD2 C 13 23.426 0.300 . 2 . . . . 8 LEU CD2 . 10214 1 31 . 1 1 8 8 LEU C C 13 177.479 0.300 . 1 . . . . 8 LEU C . 10214 1 32 . 1 1 9 9 ASP N N 15 120.983 0.300 . 1 . . . . 9 ASP N . 10214 1 33 . 1 1 9 9 ASP H H 1 8.413 0.030 . 1 . . . . 9 ASP H . 10214 1 34 . 1 1 9 9 ASP CA C 13 54.826 0.300 . 1 . . . . 9 ASP CA . 10214 1 35 . 1 1 9 9 ASP HA H 1 4.555 0.030 . 1 . . . . 9 ASP HA . 10214 1 36 . 1 1 9 9 ASP CB C 13 40.967 0.300 . 1 . . . . 9 ASP CB . 10214 1 37 . 1 1 9 9 ASP HB2 H 1 2.621 0.030 . 2 . . . . 9 ASP HB2 . 10214 1 38 . 1 1 9 9 ASP HB3 H 1 2.702 0.030 . 2 . . . . 9 ASP HB3 . 10214 1 39 . 1 1 9 9 ASP C C 13 176.609 0.300 . 1 . . . . 9 ASP C . 10214 1 40 . 1 1 10 10 SER N N 15 115.538 0.300 . 1 . . . . 10 SER N . 10214 1 41 . 1 1 10 10 SER H H 1 8.146 0.030 . 1 . . . . 10 SER H . 10214 1 42 . 1 1 10 10 SER CA C 13 58.926 0.300 . 1 . . . . 10 SER CA . 10214 1 43 . 1 1 10 10 SER HA H 1 4.361 0.030 . 1 . . . . 10 SER HA . 10214 1 44 . 1 1 10 10 SER CB C 13 63.924 0.300 . 1 . . . . 10 SER CB . 10214 1 45 . 1 1 10 10 SER HB2 H 1 3.830 0.030 . 2 . . . . 10 SER HB2 . 10214 1 46 . 1 1 10 10 SER HB3 H 1 3.903 0.030 . 2 . . . . 10 SER HB3 . 10214 1 47 . 1 1 10 10 SER C C 13 174.922 0.300 . 1 . . . . 10 SER C . 10214 1 48 . 1 1 11 11 GLU N N 15 122.324 0.300 . 1 . . . . 11 GLU N . 10214 1 49 . 1 1 11 11 GLU H H 1 8.416 0.030 . 1 . . . . 11 GLU H . 10214 1 50 . 1 1 11 11 GLU CA C 13 56.763 0.300 . 1 . . . . 11 GLU CA . 10214 1 51 . 1 1 11 11 GLU HA H 1 4.262 0.030 . 1 . . . . 11 GLU HA . 10214 1 52 . 1 1 11 11 GLU CB C 13 29.860 0.300 . 1 . . . . 11 GLU CB . 10214 1 53 . 1 1 11 11 GLU HB2 H 1 2.067 0.030 . 2 . . . . 11 GLU HB2 . 10214 1 54 . 1 1 11 11 GLU HB3 H 1 1.959 0.030 . 2 . . . . 11 GLU HB3 . 10214 1 55 . 1 1 11 11 GLU CG C 13 36.357 0.300 . 1 . . . . 11 GLU CG . 10214 1 56 . 1 1 11 11 GLU HG2 H 1 2.219 0.030 . 2 . . . . 11 GLU HG2 . 10214 1 57 . 1 1 11 11 GLU HG3 H 1 2.285 0.030 . 2 . . . . 11 GLU HG3 . 10214 1 58 . 1 1 11 11 GLU C C 13 176.347 0.300 . 1 . . . . 11 GLU C . 10214 1 59 . 1 1 12 12 LEU N N 15 121.580 0.300 . 1 . . . . 12 LEU N . 10214 1 60 . 1 1 12 12 LEU H H 1 7.957 0.030 . 1 . . . . 12 LEU H . 10214 1 61 . 1 1 12 12 LEU CA C 13 54.921 0.300 . 1 . . . . 12 LEU CA . 10214 1 62 . 1 1 12 12 LEU HA H 1 4.311 0.030 . 1 . . . . 12 LEU HA . 10214 1 63 . 1 1 12 12 LEU CB C 13 42.313 0.300 . 1 . . . . 12 LEU CB . 10214 1 64 . 1 1 12 12 LEU HB2 H 1 1.627 0.030 . 2 . . . . 12 LEU HB2 . 10214 1 65 . 1 1 12 12 LEU HB3 H 1 1.535 0.030 . 2 . . . . 12 LEU HB3 . 10214 1 66 . 1 1 12 12 LEU CG C 13 27.013 0.300 . 1 . . . . 12 LEU CG . 10214 1 67 . 1 1 12 12 LEU HG H 1 1.610 0.030 . 1 . . . . 12 LEU HG . 10214 1 68 . 1 1 12 12 LEU CD1 C 13 25.214 0.300 . 2 . . . . 12 LEU CD1 . 10214 1 69 . 1 1 12 12 LEU HD11 H 1 0.882 0.030 . 1 . . . . 12 LEU HD1 . 10214 1 70 . 1 1 12 12 LEU HD12 H 1 0.882 0.030 . 1 . . . . 12 LEU HD1 . 10214 1 71 . 1 1 12 12 LEU HD13 H 1 0.882 0.030 . 1 . . . . 12 LEU HD1 . 10214 1 72 . 1 1 12 12 LEU CD2 C 13 23.342 0.300 . 2 . . . . 12 LEU CD2 . 10214 1 73 . 1 1 12 12 LEU HD21 H 1 0.829 0.030 . 1 . . . . 12 LEU HD2 . 10214 1 74 . 1 1 12 12 LEU HD22 H 1 0.829 0.030 . 1 . . . . 12 LEU HD2 . 10214 1 75 . 1 1 12 12 LEU HD23 H 1 0.829 0.030 . 1 . . . . 12 LEU HD2 . 10214 1 76 . 1 1 12 12 LEU C C 13 176.945 0.300 . 1 . . . . 12 LEU C . 10214 1 77 . 1 1 13 13 GLU N N 15 122.146 0.300 . 1 . . . . 13 GLU N . 10214 1 78 . 1 1 13 13 GLU H H 1 8.088 0.030 . 1 . . . . 13 GLU H . 10214 1 79 . 1 1 13 13 GLU CA C 13 56.222 0.300 . 1 . . . . 13 GLU CA . 10214 1 80 . 1 1 13 13 GLU HA H 1 4.236 0.030 . 1 . . . . 13 GLU HA . 10214 1 81 . 1 1 13 13 GLU CB C 13 30.332 0.300 . 1 . . . . 13 GLU CB . 10214 1 82 . 1 1 13 13 GLU HB2 H 1 1.914 0.030 . 2 . . . . 13 GLU HB2 . 10214 1 83 . 1 1 13 13 GLU HB3 H 1 1.988 0.030 . 2 . . . . 13 GLU HB3 . 10214 1 84 . 1 1 13 13 GLU CG C 13 36.274 0.300 . 1 . . . . 13 GLU CG . 10214 1 85 . 1 1 13 13 GLU HG2 H 1 2.280 0.030 . 2 . . . . 13 GLU HG2 . 10214 1 86 . 1 1 13 13 GLU C C 13 175.667 0.300 . 1 . . . . 13 GLU C . 10214 1 87 . 1 1 14 14 LEU N N 15 123.302 0.300 . 1 . . . . 14 LEU N . 10214 1 88 . 1 1 14 14 LEU H H 1 8.331 0.030 . 1 . . . . 14 LEU H . 10214 1 89 . 1 1 14 14 LEU CA C 13 52.689 0.300 . 1 . . . . 14 LEU CA . 10214 1 90 . 1 1 14 14 LEU HA H 1 4.376 0.030 . 1 . . . . 14 LEU HA . 10214 1 91 . 1 1 14 14 LEU CB C 13 41.859 0.300 . 1 . . . . 14 LEU CB . 10214 1 92 . 1 1 14 14 LEU HB2 H 1 1.759 0.030 . 2 . . . . 14 LEU HB2 . 10214 1 93 . 1 1 14 14 LEU HB3 H 1 1.404 0.030 . 2 . . . . 14 LEU HB3 . 10214 1 94 . 1 1 14 14 LEU CG C 13 26.920 0.300 . 1 . . . . 14 LEU CG . 10214 1 95 . 1 1 14 14 LEU HG H 1 1.846 0.030 . 1 . . . . 14 LEU HG . 10214 1 96 . 1 1 14 14 LEU CD1 C 13 26.515 0.300 . 2 . . . . 14 LEU CD1 . 10214 1 97 . 1 1 14 14 LEU HD11 H 1 1.054 0.030 . 1 . . . . 14 LEU HD1 . 10214 1 98 . 1 1 14 14 LEU HD12 H 1 1.054 0.030 . 1 . . . . 14 LEU HD1 . 10214 1 99 . 1 1 14 14 LEU HD13 H 1 1.054 0.030 . 1 . . . . 14 LEU HD1 . 10214 1 100 . 1 1 14 14 LEU CD2 C 13 23.820 0.300 . 2 . . . . 14 LEU CD2 . 10214 1 101 . 1 1 14 14 LEU HD21 H 1 0.812 0.030 . 1 . . . . 14 LEU HD2 . 10214 1 102 . 1 1 14 14 LEU HD22 H 1 0.812 0.030 . 1 . . . . 14 LEU HD2 . 10214 1 103 . 1 1 14 14 LEU HD23 H 1 0.812 0.030 . 1 . . . . 14 LEU HD2 . 10214 1 104 . 1 1 14 14 LEU C C 13 174.694 0.300 . 1 . . . . 14 LEU C . 10214 1 105 . 1 1 15 15 PRO CA C 13 61.808 0.300 . 1 . . . . 15 PRO CA . 10214 1 106 . 1 1 15 15 PRO HA H 1 4.509 0.030 . 1 . . . . 15 PRO HA . 10214 1 107 . 1 1 15 15 PRO CB C 13 31.501 0.300 . 1 . . . . 15 PRO CB . 10214 1 108 . 1 1 15 15 PRO HB2 H 1 2.424 0.030 . 2 . . . . 15 PRO HB2 . 10214 1 109 . 1 1 15 15 PRO HB3 H 1 1.967 0.030 . 2 . . . . 15 PRO HB3 . 10214 1 110 . 1 1 15 15 PRO CG C 13 27.108 0.300 . 1 . . . . 15 PRO CG . 10214 1 111 . 1 1 15 15 PRO HG2 H 1 1.737 0.030 . 2 . . . . 15 PRO HG2 . 10214 1 112 . 1 1 15 15 PRO HG3 H 1 1.537 0.030 . 2 . . . . 15 PRO HG3 . 10214 1 113 . 1 1 15 15 PRO CD C 13 50.151 0.300 . 1 . . . . 15 PRO CD . 10214 1 114 . 1 1 15 15 PRO HD2 H 1 2.876 0.030 . 2 . . . . 15 PRO HD2 . 10214 1 115 . 1 1 15 15 PRO HD3 H 1 3.480 0.030 . 2 . . . . 15 PRO HD3 . 10214 1 116 . 1 1 15 15 PRO C C 13 175.733 0.300 . 1 . . . . 15 PRO C . 10214 1 117 . 1 1 16 16 ALA N N 15 123.226 0.300 . 1 . . . . 16 ALA N . 10214 1 118 . 1 1 16 16 ALA H H 1 8.427 0.030 . 1 . . . . 16 ALA H . 10214 1 119 . 1 1 16 16 ALA CA C 13 53.836 0.300 . 1 . . . . 16 ALA CA . 10214 1 120 . 1 1 16 16 ALA HA H 1 4.235 0.030 . 1 . . . . 16 ALA HA . 10214 1 121 . 1 1 16 16 ALA CB C 13 18.391 0.300 . 1 . . . . 16 ALA CB . 10214 1 122 . 1 1 16 16 ALA HB1 H 1 1.425 0.030 . 1 . . . . 16 ALA HB . 10214 1 123 . 1 1 16 16 ALA HB2 H 1 1.425 0.030 . 1 . . . . 16 ALA HB . 10214 1 124 . 1 1 16 16 ALA HB3 H 1 1.425 0.030 . 1 . . . . 16 ALA HB . 10214 1 125 . 1 1 16 16 ALA C C 13 178.641 0.300 . 1 . . . . 16 ALA C . 10214 1 126 . 1 1 17 17 GLY N N 15 110.263 0.300 . 1 . . . . 17 GLY N . 10214 1 127 . 1 1 17 17 GLY H H 1 8.816 0.030 . 1 . . . . 17 GLY H . 10214 1 128 . 1 1 17 17 GLY CA C 13 45.465 0.300 . 1 . . . . 17 GLY CA . 10214 1 129 . 1 1 17 17 GLY HA2 H 1 3.759 0.030 . 2 . . . . 17 GLY HA2 . 10214 1 130 . 1 1 17 17 GLY HA3 H 1 4.261 0.030 . 2 . . . . 17 GLY HA3 . 10214 1 131 . 1 1 17 17 GLY C C 13 173.251 0.300 . 1 . . . . 17 GLY C . 10214 1 132 . 1 1 18 18 TRP N N 15 118.263 0.300 . 1 . . . . 18 TRP N . 10214 1 133 . 1 1 18 18 TRP H H 1 7.782 0.030 . 1 . . . . 18 TRP H . 10214 1 134 . 1 1 18 18 TRP CA C 13 56.679 0.300 . 1 . . . . 18 TRP CA . 10214 1 135 . 1 1 18 18 TRP HA H 1 5.840 0.030 . 1 . . . . 18 TRP HA . 10214 1 136 . 1 1 18 18 TRP CB C 13 32.215 0.300 . 1 . . . . 18 TRP CB . 10214 1 137 . 1 1 18 18 TRP HB2 H 1 3.311 0.030 . 2 . . . . 18 TRP HB2 . 10214 1 138 . 1 1 18 18 TRP HB3 H 1 3.028 0.030 . 2 . . . . 18 TRP HB3 . 10214 1 139 . 1 1 18 18 TRP CD1 C 13 127.127 0.300 . 1 . . . . 18 TRP CD1 . 10214 1 140 . 1 1 18 18 TRP HD1 H 1 7.084 0.030 . 1 . . . . 18 TRP HD1 . 10214 1 141 . 1 1 18 18 TRP NE1 N 15 129.574 0.300 . 1 . . . . 18 TRP NE1 . 10214 1 142 . 1 1 18 18 TRP HE1 H 1 10.042 0.030 . 1 . . . . 18 TRP HE1 . 10214 1 143 . 1 1 18 18 TRP CE3 C 13 119.926 0.300 . 1 . . . . 18 TRP CE3 . 10214 1 144 . 1 1 18 18 TRP HE3 H 1 7.343 0.030 . 1 . . . . 18 TRP HE3 . 10214 1 145 . 1 1 18 18 TRP CZ2 C 13 115.265 0.300 . 1 . . . . 18 TRP CZ2 . 10214 1 146 . 1 1 18 18 TRP HZ2 H 1 7.457 0.030 . 1 . . . . 18 TRP HZ2 . 10214 1 147 . 1 1 18 18 TRP CZ3 C 13 121.285 0.300 . 1 . . . . 18 TRP CZ3 . 10214 1 148 . 1 1 18 18 TRP HZ3 H 1 6.775 0.030 . 1 . . . . 18 TRP HZ3 . 10214 1 149 . 1 1 18 18 TRP CH2 C 13 123.806 0.300 . 1 . . . . 18 TRP CH2 . 10214 1 150 . 1 1 18 18 TRP HH2 H 1 6.990 0.030 . 1 . . . . 18 TRP HH2 . 10214 1 151 . 1 1 18 18 TRP C C 13 177.038 0.300 . 1 . . . . 18 TRP C . 10214 1 152 . 1 1 19 19 GLU N N 15 122.023 0.300 . 1 . . . . 19 GLU N . 10214 1 153 . 1 1 19 19 GLU H H 1 9.480 0.030 . 1 . . . . 19 GLU H . 10214 1 154 . 1 1 19 19 GLU CA C 13 55.126 0.300 . 1 . . . . 19 GLU CA . 10214 1 155 . 1 1 19 19 GLU HA H 1 4.679 0.030 . 1 . . . . 19 GLU HA . 10214 1 156 . 1 1 19 19 GLU CB C 13 34.865 0.300 . 1 . . . . 19 GLU CB . 10214 1 157 . 1 1 19 19 GLU HB2 H 1 2.020 0.030 . 1 . . . . 19 GLU HB2 . 10214 1 158 . 1 1 19 19 GLU HB3 H 1 2.020 0.030 . 1 . . . . 19 GLU HB3 . 10214 1 159 . 1 1 19 19 GLU CG C 13 35.940 0.300 . 1 . . . . 19 GLU CG . 10214 1 160 . 1 1 19 19 GLU HG2 H 1 2.172 0.030 . 2 . . . . 19 GLU HG2 . 10214 1 161 . 1 1 19 19 GLU HG3 H 1 2.378 0.030 . 2 . . . . 19 GLU HG3 . 10214 1 162 . 1 1 19 19 GLU C C 13 173.752 0.300 . 1 . . . . 19 GLU C . 10214 1 163 . 1 1 20 20 LYS N N 15 127.008 0.300 . 1 . . . . 20 LYS N . 10214 1 164 . 1 1 20 20 LYS H H 1 8.848 0.030 . 1 . . . . 20 LYS H . 10214 1 165 . 1 1 20 20 LYS CA C 13 55.531 0.300 . 1 . . . . 20 LYS CA . 10214 1 166 . 1 1 20 20 LYS HA H 1 4.379 0.030 . 1 . . . . 20 LYS HA . 10214 1 167 . 1 1 20 20 LYS CB C 13 33.946 0.300 . 1 . . . . 20 LYS CB . 10214 1 168 . 1 1 20 20 LYS HB2 H 1 1.615 0.030 . 2 . . . . 20 LYS HB2 . 10214 1 169 . 1 1 20 20 LYS HB3 H 1 1.830 0.030 . 2 . . . . 20 LYS HB3 . 10214 1 170 . 1 1 20 20 LYS CG C 13 24.640 0.300 . 1 . . . . 20 LYS CG . 10214 1 171 . 1 1 20 20 LYS HG2 H 1 0.822 0.030 . 2 . . . . 20 LYS HG2 . 10214 1 172 . 1 1 20 20 LYS HG3 H 1 0.845 0.030 . 2 . . . . 20 LYS HG3 . 10214 1 173 . 1 1 20 20 LYS CD C 13 29.668 0.300 . 1 . . . . 20 LYS CD . 10214 1 174 . 1 1 20 20 LYS HD2 H 1 1.648 0.030 . 2 . . . . 20 LYS HD2 . 10214 1 175 . 1 1 20 20 LYS HD3 H 1 1.712 0.030 . 2 . . . . 20 LYS HD3 . 10214 1 176 . 1 1 20 20 LYS CE C 13 41.898 0.300 . 1 . . . . 20 LYS CE . 10214 1 177 . 1 1 20 20 LYS HE2 H 1 2.892 0.030 . 2 . . . . 20 LYS HE2 . 10214 1 178 . 1 1 20 20 LYS C C 13 174.530 0.300 . 1 . . . . 20 LYS C . 10214 1 179 . 1 1 21 21 ILE N N 15 130.740 0.300 . 1 . . . . 21 ILE N . 10214 1 180 . 1 1 21 21 ILE H H 1 8.894 0.030 . 1 . . . . 21 ILE H . 10214 1 181 . 1 1 21 21 ILE CA C 13 58.996 0.300 . 1 . . . . 21 ILE CA . 10214 1 182 . 1 1 21 21 ILE HA H 1 4.035 0.030 . 1 . . . . 21 ILE HA . 10214 1 183 . 1 1 21 21 ILE CB C 13 38.249 0.300 . 1 . . . . 21 ILE CB . 10214 1 184 . 1 1 21 21 ILE HB H 1 0.582 0.030 . 1 . . . . 21 ILE HB . 10214 1 185 . 1 1 21 21 ILE CG1 C 13 27.456 0.300 . 1 . . . . 21 ILE CG1 . 10214 1 186 . 1 1 21 21 ILE HG12 H 1 0.965 0.030 . 1 . . . . 21 ILE HG12 . 10214 1 187 . 1 1 21 21 ILE HG13 H 1 0.965 0.030 . 1 . . . . 21 ILE HG13 . 10214 1 188 . 1 1 21 21 ILE CG2 C 13 17.591 0.300 . 1 . . . . 21 ILE CG2 . 10214 1 189 . 1 1 21 21 ILE HG21 H 1 0.626 0.030 . 1 . . . . 21 ILE HG2 . 10214 1 190 . 1 1 21 21 ILE HG22 H 1 0.626 0.030 . 1 . . . . 21 ILE HG2 . 10214 1 191 . 1 1 21 21 ILE HG23 H 1 0.626 0.030 . 1 . . . . 21 ILE HG2 . 10214 1 192 . 1 1 21 21 ILE CD1 C 13 11.153 0.300 . 1 . . . . 21 ILE CD1 . 10214 1 193 . 1 1 21 21 ILE HD11 H 1 0.586 0.030 . 1 . . . . 21 ILE HD1 . 10214 1 194 . 1 1 21 21 ILE HD12 H 1 0.586 0.030 . 1 . . . . 21 ILE HD1 . 10214 1 195 . 1 1 21 21 ILE HD13 H 1 0.586 0.030 . 1 . . . . 21 ILE HD1 . 10214 1 196 . 1 1 21 21 ILE C C 13 173.612 0.300 . 1 . . . . 21 ILE C . 10214 1 197 . 1 1 22 22 GLU N N 15 124.546 0.300 . 1 . . . . 22 GLU N . 10214 1 198 . 1 1 22 22 GLU H H 1 8.273 0.030 . 1 . . . . 22 GLU H . 10214 1 199 . 1 1 22 22 GLU CA C 13 54.652 0.300 . 1 . . . . 22 GLU CA . 10214 1 200 . 1 1 22 22 GLU HA H 1 4.429 0.030 . 1 . . . . 22 GLU HA . 10214 1 201 . 1 1 22 22 GLU CB C 13 29.876 0.300 . 1 . . . . 22 GLU CB . 10214 1 202 . 1 1 22 22 GLU HB2 H 1 1.881 0.030 . 2 . . . . 22 GLU HB2 . 10214 1 203 . 1 1 22 22 GLU HB3 H 1 1.747 0.030 . 2 . . . . 22 GLU HB3 . 10214 1 204 . 1 1 22 22 GLU CG C 13 36.326 0.300 . 1 . . . . 22 GLU CG . 10214 1 205 . 1 1 22 22 GLU HG2 H 1 1.991 0.030 . 2 . . . . 22 GLU HG2 . 10214 1 206 . 1 1 22 22 GLU HG3 H 1 1.952 0.030 . 2 . . . . 22 GLU HG3 . 10214 1 207 . 1 1 22 22 GLU C C 13 174.548 0.300 . 1 . . . . 22 GLU C . 10214 1 208 . 1 1 23 23 ASP N N 15 128.325 0.300 . 1 . . . . 23 ASP N . 10214 1 209 . 1 1 23 23 ASP H H 1 8.368 0.030 . 1 . . . . 23 ASP H . 10214 1 210 . 1 1 23 23 ASP CA C 13 51.555 0.300 . 1 . . . . 23 ASP CA . 10214 1 211 . 1 1 23 23 ASP HA H 1 5.093 0.030 . 1 . . . . 23 ASP HA . 10214 1 212 . 1 1 23 23 ASP CB C 13 45.902 0.300 . 1 . . . . 23 ASP CB . 10214 1 213 . 1 1 23 23 ASP HB2 H 1 3.179 0.030 . 2 . . . . 23 ASP HB2 . 10214 1 214 . 1 1 23 23 ASP HB3 H 1 2.715 0.030 . 2 . . . . 23 ASP HB3 . 10214 1 215 . 1 1 23 23 ASP C C 13 175.729 0.300 . 1 . . . . 23 ASP C . 10214 1 216 . 1 1 24 24 PRO CA C 13 64.824 0.300 . 1 . . . . 24 PRO CA . 10214 1 217 . 1 1 24 24 PRO HA H 1 4.356 0.030 . 1 . . . . 24 PRO HA . 10214 1 218 . 1 1 24 24 PRO CB C 13 32.297 0.300 . 1 . . . . 24 PRO CB . 10214 1 219 . 1 1 24 24 PRO HB2 H 1 1.936 0.030 . 2 . . . . 24 PRO HB2 . 10214 1 220 . 1 1 24 24 PRO HB3 H 1 2.352 0.030 . 2 . . . . 24 PRO HB3 . 10214 1 221 . 1 1 24 24 PRO CG C 13 27.368 0.300 . 1 . . . . 24 PRO CG . 10214 1 222 . 1 1 24 24 PRO HG2 H 1 2.063 0.030 . 2 . . . . 24 PRO HG2 . 10214 1 223 . 1 1 24 24 PRO HG3 H 1 1.981 0.030 . 2 . . . . 24 PRO HG3 . 10214 1 224 . 1 1 24 24 PRO CD C 13 51.156 0.300 . 1 . . . . 24 PRO CD . 10214 1 225 . 1 1 24 24 PRO HD2 H 1 3.769 0.030 . 2 . . . . 24 PRO HD2 . 10214 1 226 . 1 1 24 24 PRO HD3 H 1 3.841 0.030 . 2 . . . . 24 PRO HD3 . 10214 1 227 . 1 1 24 24 PRO C C 13 176.540 0.300 . 1 . . . . 24 PRO C . 10214 1 228 . 1 1 25 25 VAL N N 15 118.640 0.300 . 1 . . . . 25 VAL N . 10214 1 229 . 1 1 25 25 VAL H H 1 8.485 0.030 . 1 . . . . 25 VAL H . 10214 1 230 . 1 1 25 25 VAL CA C 13 64.125 0.300 . 1 . . . . 25 VAL CA . 10214 1 231 . 1 1 25 25 VAL HA H 1 3.856 0.030 . 1 . . . . 25 VAL HA . 10214 1 232 . 1 1 25 25 VAL CB C 13 33.098 0.300 . 1 . . . . 25 VAL CB . 10214 1 233 . 1 1 25 25 VAL HB H 1 1.631 0.030 . 1 . . . . 25 VAL HB . 10214 1 234 . 1 1 25 25 VAL CG1 C 13 20.272 0.300 . 2 . . . . 25 VAL CG1 . 10214 1 235 . 1 1 25 25 VAL HG11 H 1 0.252 0.030 . 1 . . . . 25 VAL HG1 . 10214 1 236 . 1 1 25 25 VAL HG12 H 1 0.252 0.030 . 1 . . . . 25 VAL HG1 . 10214 1 237 . 1 1 25 25 VAL HG13 H 1 0.252 0.030 . 1 . . . . 25 VAL HG1 . 10214 1 238 . 1 1 25 25 VAL CG2 C 13 21.657 0.300 . 2 . . . . 25 VAL CG2 . 10214 1 239 . 1 1 25 25 VAL HG21 H 1 0.752 0.030 . 1 . . . . 25 VAL HG2 . 10214 1 240 . 1 1 25 25 VAL HG22 H 1 0.752 0.030 . 1 . . . . 25 VAL HG2 . 10214 1 241 . 1 1 25 25 VAL HG23 H 1 0.752 0.030 . 1 . . . . 25 VAL HG2 . 10214 1 242 . 1 1 25 25 VAL C C 13 177.626 0.300 . 1 . . . . 25 VAL C . 10214 1 243 . 1 1 26 26 TYR N N 15 117.602 0.300 . 1 . . . . 26 TYR N . 10214 1 244 . 1 1 26 26 TYR H H 1 8.632 0.030 . 1 . . . . 26 TYR H . 10214 1 245 . 1 1 26 26 TYR CA C 13 59.189 0.300 . 1 . . . . 26 TYR CA . 10214 1 246 . 1 1 26 26 TYR HA H 1 4.469 0.030 . 1 . . . . 26 TYR HA . 10214 1 247 . 1 1 26 26 TYR CB C 13 39.193 0.300 . 1 . . . . 26 TYR CB . 10214 1 248 . 1 1 26 26 TYR HB2 H 1 3.368 0.030 . 2 . . . . 26 TYR HB2 . 10214 1 249 . 1 1 26 26 TYR HB3 H 1 2.550 0.030 . 2 . . . . 26 TYR HB3 . 10214 1 250 . 1 1 26 26 TYR CD1 C 13 132.924 0.300 . 1 . . . . 26 TYR CD1 . 10214 1 251 . 1 1 26 26 TYR HD1 H 1 7.160 0.030 . 1 . . . . 26 TYR HD1 . 10214 1 252 . 1 1 26 26 TYR CD2 C 13 132.924 0.300 . 1 . . . . 26 TYR CD2 . 10214 1 253 . 1 1 26 26 TYR HD2 H 1 7.160 0.030 . 1 . . . . 26 TYR HD2 . 10214 1 254 . 1 1 26 26 TYR CE1 C 13 118.248 0.300 . 1 . . . . 26 TYR CE1 . 10214 1 255 . 1 1 26 26 TYR HE1 H 1 6.766 0.030 . 1 . . . . 26 TYR HE1 . 10214 1 256 . 1 1 26 26 TYR CE2 C 13 118.248 0.300 . 1 . . . . 26 TYR CE2 . 10214 1 257 . 1 1 26 26 TYR HE2 H 1 6.766 0.030 . 1 . . . . 26 TYR HE2 . 10214 1 258 . 1 1 26 26 TYR C C 13 176.124 0.300 . 1 . . . . 26 TYR C . 10214 1 259 . 1 1 27 27 GLY N N 15 110.042 0.300 . 1 . . . . 27 GLY N . 10214 1 260 . 1 1 27 27 GLY H H 1 8.181 0.030 . 1 . . . . 27 GLY H . 10214 1 261 . 1 1 27 27 GLY CA C 13 44.979 0.300 . 1 . . . . 27 GLY CA . 10214 1 262 . 1 1 27 27 GLY HA2 H 1 3.890 0.030 . 2 . . . . 27 GLY HA2 . 10214 1 263 . 1 1 27 27 GLY HA3 H 1 4.390 0.030 . 2 . . . . 27 GLY HA3 . 10214 1 264 . 1 1 27 27 GLY C C 13 173.043 0.300 . 1 . . . . 27 GLY C . 10214 1 265 . 1 1 28 28 ILE N N 15 121.278 0.300 . 1 . . . . 28 ILE N . 10214 1 266 . 1 1 28 28 ILE H H 1 8.259 0.030 . 1 . . . . 28 ILE H . 10214 1 267 . 1 1 28 28 ILE CA C 13 60.867 0.300 . 1 . . . . 28 ILE CA . 10214 1 268 . 1 1 28 28 ILE HA H 1 4.900 0.030 . 1 . . . . 28 ILE HA . 10214 1 269 . 1 1 28 28 ILE CB C 13 38.763 0.300 . 1 . . . . 28 ILE CB . 10214 1 270 . 1 1 28 28 ILE HB H 1 1.716 0.030 . 1 . . . . 28 ILE HB . 10214 1 271 . 1 1 28 28 ILE CG1 C 13 28.873 0.300 . 1 . . . . 28 ILE CG1 . 10214 1 272 . 1 1 28 28 ILE HG12 H 1 0.963 0.030 . 2 . . . . 28 ILE HG12 . 10214 1 273 . 1 1 28 28 ILE HG13 H 1 1.710 0.030 . 2 . . . . 28 ILE HG13 . 10214 1 274 . 1 1 28 28 ILE CG2 C 13 17.816 0.300 . 1 . . . . 28 ILE CG2 . 10214 1 275 . 1 1 28 28 ILE HG21 H 1 0.639 0.030 . 1 . . . . 28 ILE HG2 . 10214 1 276 . 1 1 28 28 ILE HG22 H 1 0.639 0.030 . 1 . . . . 28 ILE HG2 . 10214 1 277 . 1 1 28 28 ILE HG23 H 1 0.639 0.030 . 1 . . . . 28 ILE HG2 . 10214 1 278 . 1 1 28 28 ILE CD1 C 13 13.589 0.300 . 1 . . . . 28 ILE CD1 . 10214 1 279 . 1 1 28 28 ILE HD11 H 1 0.885 0.030 . 1 . . . . 28 ILE HD1 . 10214 1 280 . 1 1 28 28 ILE HD12 H 1 0.885 0.030 . 1 . . . . 28 ILE HD1 . 10214 1 281 . 1 1 28 28 ILE HD13 H 1 0.885 0.030 . 1 . . . . 28 ILE HD1 . 10214 1 282 . 1 1 28 28 ILE C C 13 176.805 0.300 . 1 . . . . 28 ILE C . 10214 1 283 . 1 1 29 29 TYR N N 15 124.534 0.300 . 1 . . . . 29 TYR N . 10214 1 284 . 1 1 29 29 TYR H H 1 8.822 0.030 . 1 . . . . 29 TYR H . 10214 1 285 . 1 1 29 29 TYR CA C 13 56.332 0.300 . 1 . . . . 29 TYR CA . 10214 1 286 . 1 1 29 29 TYR HA H 1 4.712 0.030 . 1 . . . . 29 TYR HA . 10214 1 287 . 1 1 29 29 TYR CB C 13 38.879 0.300 . 1 . . . . 29 TYR CB . 10214 1 288 . 1 1 29 29 TYR HB2 H 1 2.822 0.030 . 2 . . . . 29 TYR HB2 . 10214 1 289 . 1 1 29 29 TYR HB3 H 1 2.578 0.030 . 2 . . . . 29 TYR HB3 . 10214 1 290 . 1 1 29 29 TYR CD1 C 13 133.804 0.300 . 1 . . . . 29 TYR CD1 . 10214 1 291 . 1 1 29 29 TYR HD1 H 1 6.795 0.030 . 1 . . . . 29 TYR HD1 . 10214 1 292 . 1 1 29 29 TYR CD2 C 13 133.804 0.300 . 1 . . . . 29 TYR CD2 . 10214 1 293 . 1 1 29 29 TYR HD2 H 1 6.795 0.030 . 1 . . . . 29 TYR HD2 . 10214 1 294 . 1 1 29 29 TYR CE1 C 13 117.553 0.300 . 1 . . . . 29 TYR CE1 . 10214 1 295 . 1 1 29 29 TYR HE1 H 1 6.503 0.030 . 1 . . . . 29 TYR HE1 . 10214 1 296 . 1 1 29 29 TYR CE2 C 13 117.553 0.300 . 1 . . . . 29 TYR CE2 . 10214 1 297 . 1 1 29 29 TYR HE2 H 1 6.503 0.030 . 1 . . . . 29 TYR HE2 . 10214 1 298 . 1 1 29 29 TYR C C 13 170.710 0.300 . 1 . . . . 29 TYR C . 10214 1 299 . 1 1 30 30 TYR N N 15 116.432 0.300 . 1 . . . . 30 TYR N . 10214 1 300 . 1 1 30 30 TYR H H 1 8.981 0.030 . 1 . . . . 30 TYR H . 10214 1 301 . 1 1 30 30 TYR CA C 13 56.921 0.300 . 1 . . . . 30 TYR CA . 10214 1 302 . 1 1 30 30 TYR HA H 1 5.417 0.030 . 1 . . . . 30 TYR HA . 10214 1 303 . 1 1 30 30 TYR CB C 13 41.603 0.300 . 1 . . . . 30 TYR CB . 10214 1 304 . 1 1 30 30 TYR HB2 H 1 3.108 0.030 . 2 . . . . 30 TYR HB2 . 10214 1 305 . 1 1 30 30 TYR HB3 H 1 2.898 0.030 . 2 . . . . 30 TYR HB3 . 10214 1 306 . 1 1 30 30 TYR CD1 C 13 133.493 0.300 . 1 . . . . 30 TYR CD1 . 10214 1 307 . 1 1 30 30 TYR HD1 H 1 6.884 0.030 . 1 . . . . 30 TYR HD1 . 10214 1 308 . 1 1 30 30 TYR CD2 C 13 133.493 0.300 . 1 . . . . 30 TYR CD2 . 10214 1 309 . 1 1 30 30 TYR HD2 H 1 6.884 0.030 . 1 . . . . 30 TYR HD2 . 10214 1 310 . 1 1 30 30 TYR CE1 C 13 117.357 0.300 . 1 . . . . 30 TYR CE1 . 10214 1 311 . 1 1 30 30 TYR HE1 H 1 6.777 0.030 . 1 . . . . 30 TYR HE1 . 10214 1 312 . 1 1 30 30 TYR CE2 C 13 117.357 0.300 . 1 . . . . 30 TYR CE2 . 10214 1 313 . 1 1 30 30 TYR HE2 H 1 6.777 0.030 . 1 . . . . 30 TYR HE2 . 10214 1 314 . 1 1 30 30 TYR C C 13 174.825 0.300 . 1 . . . . 30 TYR C . 10214 1 315 . 1 1 31 31 VAL N N 15 121.385 0.300 . 1 . . . . 31 VAL N . 10214 1 316 . 1 1 31 31 VAL H H 1 9.266 0.030 . 1 . . . . 31 VAL H . 10214 1 317 . 1 1 31 31 VAL CA C 13 60.346 0.300 . 1 . . . . 31 VAL CA . 10214 1 318 . 1 1 31 31 VAL HA H 1 4.610 0.030 . 1 . . . . 31 VAL HA . 10214 1 319 . 1 1 31 31 VAL CB C 13 35.393 0.300 . 1 . . . . 31 VAL CB . 10214 1 320 . 1 1 31 31 VAL HB H 1 1.663 0.030 . 1 . . . . 31 VAL HB . 10214 1 321 . 1 1 31 31 VAL CG1 C 13 21.608 0.300 . 2 . . . . 31 VAL CG1 . 10214 1 322 . 1 1 31 31 VAL HG11 H 1 0.801 0.030 . 1 . . . . 31 VAL HG1 . 10214 1 323 . 1 1 31 31 VAL HG12 H 1 0.801 0.030 . 1 . . . . 31 VAL HG1 . 10214 1 324 . 1 1 31 31 VAL HG13 H 1 0.801 0.030 . 1 . . . . 31 VAL HG1 . 10214 1 325 . 1 1 31 31 VAL CG2 C 13 19.941 0.300 . 2 . . . . 31 VAL CG2 . 10214 1 326 . 1 1 31 31 VAL HG21 H 1 0.392 0.030 . 1 . . . . 31 VAL HG2 . 10214 1 327 . 1 1 31 31 VAL HG22 H 1 0.392 0.030 . 1 . . . . 31 VAL HG2 . 10214 1 328 . 1 1 31 31 VAL HG23 H 1 0.392 0.030 . 1 . . . . 31 VAL HG2 . 10214 1 329 . 1 1 31 31 VAL C C 13 173.103 0.300 . 1 . . . . 31 VAL C . 10214 1 330 . 1 1 32 32 ASP N N 15 126.129 0.300 . 1 . . . . 32 ASP N . 10214 1 331 . 1 1 32 32 ASP H H 1 8.340 0.030 . 1 . . . . 32 ASP H . 10214 1 332 . 1 1 32 32 ASP CA C 13 51.134 0.300 . 1 . . . . 32 ASP CA . 10214 1 333 . 1 1 32 32 ASP HA H 1 3.702 0.030 . 1 . . . . 32 ASP HA . 10214 1 334 . 1 1 32 32 ASP CB C 13 39.252 0.300 . 1 . . . . 32 ASP CB . 10214 1 335 . 1 1 32 32 ASP HB2 H 1 1.895 0.030 . 2 . . . . 32 ASP HB2 . 10214 1 336 . 1 1 32 32 ASP HB3 H 1 0.091 0.030 . 2 . . . . 32 ASP HB3 . 10214 1 337 . 1 1 32 32 ASP C C 13 177.731 0.300 . 1 . . . . 32 ASP C . 10214 1 338 . 1 1 33 33 HIS N N 15 121.984 0.300 . 1 . . . . 33 HIS N . 10214 1 339 . 1 1 33 33 HIS H H 1 8.728 0.030 . 1 . . . . 33 HIS H . 10214 1 340 . 1 1 33 33 HIS CA C 13 58.404 0.300 . 1 . . . . 33 HIS CA . 10214 1 341 . 1 1 33 33 HIS HA H 1 4.218 0.030 . 1 . . . . 33 HIS HA . 10214 1 342 . 1 1 33 33 HIS CB C 13 30.594 0.300 . 1 . . . . 33 HIS CB . 10214 1 343 . 1 1 33 33 HIS HB2 H 1 3.124 0.030 . 2 . . . . 33 HIS HB2 . 10214 1 344 . 1 1 33 33 HIS HB3 H 1 3.056 0.030 . 2 . . . . 33 HIS HB3 . 10214 1 345 . 1 1 33 33 HIS CD2 C 13 118.901 0.300 . 1 . . . . 33 HIS CD2 . 10214 1 346 . 1 1 33 33 HIS HD2 H 1 6.958 0.030 . 1 . . . . 33 HIS HD2 . 10214 1 347 . 1 1 33 33 HIS CE1 C 13 138.430 0.300 . 1 . . . . 33 HIS CE1 . 10214 1 348 . 1 1 33 33 HIS HE1 H 1 7.908 0.030 . 1 . . . . 33 HIS HE1 . 10214 1 349 . 1 1 33 33 HIS C C 13 176.844 0.300 . 1 . . . . 33 HIS C . 10214 1 350 . 1 1 34 34 ILE N N 15 120.023 0.300 . 1 . . . . 34 ILE N . 10214 1 351 . 1 1 34 34 ILE H H 1 8.090 0.030 . 1 . . . . 34 ILE H . 10214 1 352 . 1 1 34 34 ILE CA C 13 63.382 0.300 . 1 . . . . 34 ILE CA . 10214 1 353 . 1 1 34 34 ILE HA H 1 3.845 0.030 . 1 . . . . 34 ILE HA . 10214 1 354 . 1 1 34 34 ILE CB C 13 37.023 0.300 . 1 . . . . 34 ILE CB . 10214 1 355 . 1 1 34 34 ILE HB H 1 1.971 0.030 . 1 . . . . 34 ILE HB . 10214 1 356 . 1 1 34 34 ILE CG1 C 13 28.285 0.300 . 1 . . . . 34 ILE CG1 . 10214 1 357 . 1 1 34 34 ILE HG12 H 1 1.184 0.030 . 2 . . . . 34 ILE HG12 . 10214 1 358 . 1 1 34 34 ILE HG13 H 1 1.558 0.030 . 2 . . . . 34 ILE HG13 . 10214 1 359 . 1 1 34 34 ILE CG2 C 13 16.671 0.300 . 1 . . . . 34 ILE CG2 . 10214 1 360 . 1 1 34 34 ILE HG21 H 1 0.781 0.030 . 1 . . . . 34 ILE HG2 . 10214 1 361 . 1 1 34 34 ILE HG22 H 1 0.781 0.030 . 1 . . . . 34 ILE HG2 . 10214 1 362 . 1 1 34 34 ILE HG23 H 1 0.781 0.030 . 1 . . . . 34 ILE HG2 . 10214 1 363 . 1 1 34 34 ILE CD1 C 13 11.474 0.300 . 1 . . . . 34 ILE CD1 . 10214 1 364 . 1 1 34 34 ILE HD11 H 1 0.819 0.030 . 1 . . . . 34 ILE HD1 . 10214 1 365 . 1 1 34 34 ILE HD12 H 1 0.819 0.030 . 1 . . . . 34 ILE HD1 . 10214 1 366 . 1 1 34 34 ILE HD13 H 1 0.819 0.030 . 1 . . . . 34 ILE HD1 . 10214 1 367 . 1 1 34 34 ILE C C 13 177.464 0.300 . 1 . . . . 34 ILE C . 10214 1 368 . 1 1 35 35 ASN N N 15 115.543 0.300 . 1 . . . . 35 ASN N . 10214 1 369 . 1 1 35 35 ASN H H 1 7.620 0.030 . 1 . . . . 35 ASN H . 10214 1 370 . 1 1 35 35 ASN CA C 13 53.139 0.300 . 1 . . . . 35 ASN CA . 10214 1 371 . 1 1 35 35 ASN HA H 1 4.587 0.030 . 1 . . . . 35 ASN HA . 10214 1 372 . 1 1 35 35 ASN CB C 13 38.909 0.300 . 1 . . . . 35 ASN CB . 10214 1 373 . 1 1 35 35 ASN HB2 H 1 2.595 0.030 . 2 . . . . 35 ASN HB2 . 10214 1 374 . 1 1 35 35 ASN HB3 H 1 2.328 0.030 . 2 . . . . 35 ASN HB3 . 10214 1 375 . 1 1 35 35 ASN ND2 N 15 119.673 0.300 . 1 . . . . 35 ASN ND2 . 10214 1 376 . 1 1 35 35 ASN HD21 H 1 6.983 0.030 . 2 . . . . 35 ASN HD21 . 10214 1 377 . 1 1 35 35 ASN HD22 H 1 9.118 0.030 . 2 . . . . 35 ASN HD22 . 10214 1 378 . 1 1 35 35 ASN C C 13 173.887 0.300 . 1 . . . . 35 ASN C . 10214 1 379 . 1 1 36 36 ARG N N 15 117.698 0.300 . 1 . . . . 36 ARG N . 10214 1 380 . 1 1 36 36 ARG H H 1 7.596 0.030 . 1 . . . . 36 ARG H . 10214 1 381 . 1 1 36 36 ARG CA C 13 56.824 0.300 . 1 . . . . 36 ARG CA . 10214 1 382 . 1 1 36 36 ARG HA H 1 3.850 0.030 . 1 . . . . 36 ARG HA . 10214 1 383 . 1 1 36 36 ARG CB C 13 26.161 0.300 . 1 . . . . 36 ARG CB . 10214 1 384 . 1 1 36 36 ARG HB2 H 1 2.014 0.030 . 2 . . . . 36 ARG HB2 . 10214 1 385 . 1 1 36 36 ARG HB3 H 1 1.753 0.030 . 2 . . . . 36 ARG HB3 . 10214 1 386 . 1 1 36 36 ARG CG C 13 27.180 0.300 . 1 . . . . 36 ARG CG . 10214 1 387 . 1 1 36 36 ARG HG2 H 1 1.434 0.030 . 2 . . . . 36 ARG HG2 . 10214 1 388 . 1 1 36 36 ARG CD C 13 43.458 0.300 . 1 . . . . 36 ARG CD . 10214 1 389 . 1 1 36 36 ARG HD2 H 1 3.123 0.030 . 2 . . . . 36 ARG HD2 . 10214 1 390 . 1 1 36 36 ARG C C 13 174.732 0.300 . 1 . . . . 36 ARG C . 10214 1 391 . 1 1 37 37 LYS N N 15 117.773 0.300 . 1 . . . . 37 LYS N . 10214 1 392 . 1 1 37 37 LYS H H 1 7.471 0.030 . 1 . . . . 37 LYS H . 10214 1 393 . 1 1 37 37 LYS CA C 13 54.528 0.300 . 1 . . . . 37 LYS CA . 10214 1 394 . 1 1 37 37 LYS HA H 1 4.795 0.030 . 1 . . . . 37 LYS HA . 10214 1 395 . 1 1 37 37 LYS CB C 13 36.493 0.300 . 1 . . . . 37 LYS CB . 10214 1 396 . 1 1 37 37 LYS HB2 H 1 1.527 0.030 . 2 . . . . 37 LYS HB2 . 10214 1 397 . 1 1 37 37 LYS HB3 H 1 1.835 0.030 . 2 . . . . 37 LYS HB3 . 10214 1 398 . 1 1 37 37 LYS CG C 13 24.574 0.300 . 1 . . . . 37 LYS CG . 10214 1 399 . 1 1 37 37 LYS HG2 H 1 1.280 0.030 . 2 . . . . 37 LYS HG2 . 10214 1 400 . 1 1 37 37 LYS CD C 13 29.108 0.300 . 1 . . . . 37 LYS CD . 10214 1 401 . 1 1 37 37 LYS HD2 H 1 1.710 0.030 . 2 . . . . 37 LYS HD2 . 10214 1 402 . 1 1 37 37 LYS CE C 13 42.286 0.300 . 1 . . . . 37 LYS CE . 10214 1 403 . 1 1 37 37 LYS HE2 H 1 3.018 0.030 . 2 . . . . 37 LYS HE2 . 10214 1 404 . 1 1 37 37 LYS C C 13 174.870 0.300 . 1 . . . . 37 LYS C . 10214 1 405 . 1 1 38 38 THR N N 15 114.635 0.300 . 1 . . . . 38 THR N . 10214 1 406 . 1 1 38 38 THR H H 1 8.322 0.030 . 1 . . . . 38 THR H . 10214 1 407 . 1 1 38 38 THR CA C 13 60.506 0.300 . 1 . . . . 38 THR CA . 10214 1 408 . 1 1 38 38 THR HA H 1 5.390 0.030 . 1 . . . . 38 THR HA . 10214 1 409 . 1 1 38 38 THR CB C 13 71.424 0.300 . 1 . . . . 38 THR CB . 10214 1 410 . 1 1 38 38 THR HB H 1 3.942 0.030 . 1 . . . . 38 THR HB . 10214 1 411 . 1 1 38 38 THR CG2 C 13 22.169 0.300 . 1 . . . . 38 THR CG2 . 10214 1 412 . 1 1 38 38 THR HG21 H 1 1.015 0.030 . 1 . . . . 38 THR HG2 . 10214 1 413 . 1 1 38 38 THR HG22 H 1 1.015 0.030 . 1 . . . . 38 THR HG2 . 10214 1 414 . 1 1 38 38 THR HG23 H 1 1.015 0.030 . 1 . . . . 38 THR HG2 . 10214 1 415 . 1 1 38 38 THR C C 13 173.840 0.300 . 1 . . . . 38 THR C . 10214 1 416 . 1 1 39 39 GLN N N 15 117.672 0.300 . 1 . . . . 39 GLN N . 10214 1 417 . 1 1 39 39 GLN H H 1 9.335 0.030 . 1 . . . . 39 GLN H . 10214 1 418 . 1 1 39 39 GLN CA C 13 54.878 0.300 . 1 . . . . 39 GLN CA . 10214 1 419 . 1 1 39 39 GLN HA H 1 4.899 0.030 . 1 . . . . 39 GLN HA . 10214 1 420 . 1 1 39 39 GLN CB C 13 32.186 0.300 . 1 . . . . 39 GLN CB . 10214 1 421 . 1 1 39 39 GLN HB2 H 1 2.591 0.030 . 2 . . . . 39 GLN HB2 . 10214 1 422 . 1 1 39 39 GLN HB3 H 1 2.367 0.030 . 2 . . . . 39 GLN HB3 . 10214 1 423 . 1 1 39 39 GLN CG C 13 32.420 0.300 . 1 . . . . 39 GLN CG . 10214 1 424 . 1 1 39 39 GLN HG2 H 1 2.571 0.030 . 2 . . . . 39 GLN HG2 . 10214 1 425 . 1 1 39 39 GLN HG3 H 1 2.358 0.030 . 2 . . . . 39 GLN HG3 . 10214 1 426 . 1 1 39 39 GLN NE2 N 15 113.777 0.300 . 1 . . . . 39 GLN NE2 . 10214 1 427 . 1 1 39 39 GLN HE21 H 1 7.772 0.030 . 2 . . . . 39 GLN HE21 . 10214 1 428 . 1 1 39 39 GLN HE22 H 1 7.193 0.030 . 2 . . . . 39 GLN HE22 . 10214 1 429 . 1 1 39 39 GLN C C 13 174.549 0.300 . 1 . . . . 39 GLN C . 10214 1 430 . 1 1 40 40 TYR N N 15 119.391 0.300 . 1 . . . . 40 TYR N . 10214 1 431 . 1 1 40 40 TYR H H 1 8.858 0.030 . 1 . . . . 40 TYR H . 10214 1 432 . 1 1 40 40 TYR CA C 13 60.804 0.300 . 1 . . . . 40 TYR CA . 10214 1 433 . 1 1 40 40 TYR HA H 1 4.752 0.030 . 1 . . . . 40 TYR HA . 10214 1 434 . 1 1 40 40 TYR CB C 13 39.167 0.300 . 1 . . . . 40 TYR CB . 10214 1 435 . 1 1 40 40 TYR HB2 H 1 3.333 0.030 . 2 . . . . 40 TYR HB2 . 10214 1 436 . 1 1 40 40 TYR HB3 H 1 2.913 0.030 . 2 . . . . 40 TYR HB3 . 10214 1 437 . 1 1 40 40 TYR CD1 C 13 133.311 0.300 . 1 . . . . 40 TYR CD1 . 10214 1 438 . 1 1 40 40 TYR HD1 H 1 7.421 0.030 . 1 . . . . 40 TYR HD1 . 10214 1 439 . 1 1 40 40 TYR CD2 C 13 133.311 0.300 . 1 . . . . 40 TYR CD2 . 10214 1 440 . 1 1 40 40 TYR HD2 H 1 7.421 0.030 . 1 . . . . 40 TYR HD2 . 10214 1 441 . 1 1 40 40 TYR CE1 C 13 118.354 0.300 . 1 . . . . 40 TYR CE1 . 10214 1 442 . 1 1 40 40 TYR HE1 H 1 6.815 0.030 . 1 . . . . 40 TYR HE1 . 10214 1 443 . 1 1 40 40 TYR CE2 C 13 118.354 0.300 . 1 . . . . 40 TYR CE2 . 10214 1 444 . 1 1 40 40 TYR HE2 H 1 6.815 0.030 . 1 . . . . 40 TYR HE2 . 10214 1 445 . 1 1 40 40 TYR C C 13 176.295 0.300 . 1 . . . . 40 TYR C . 10214 1 446 . 1 1 41 41 GLU N N 15 119.491 0.300 . 1 . . . . 41 GLU N . 10214 1 447 . 1 1 41 41 GLU H H 1 8.079 0.030 . 1 . . . . 41 GLU H . 10214 1 448 . 1 1 41 41 GLU CA C 13 56.296 0.300 . 1 . . . . 41 GLU CA . 10214 1 449 . 1 1 41 41 GLU HA H 1 4.351 0.030 . 1 . . . . 41 GLU HA . 10214 1 450 . 1 1 41 41 GLU CB C 13 30.517 0.300 . 1 . . . . 41 GLU CB . 10214 1 451 . 1 1 41 41 GLU HB2 H 1 1.807 0.030 . 2 . . . . 41 GLU HB2 . 10214 1 452 . 1 1 41 41 GLU HB3 H 1 1.894 0.030 . 2 . . . . 41 GLU HB3 . 10214 1 453 . 1 1 41 41 GLU CG C 13 36.441 0.300 . 1 . . . . 41 GLU CG . 10214 1 454 . 1 1 41 41 GLU HG2 H 1 2.204 0.030 . 2 . . . . 41 GLU HG2 . 10214 1 455 . 1 1 41 41 GLU HG3 H 1 2.319 0.030 . 2 . . . . 41 GLU HG3 . 10214 1 456 . 1 1 41 41 GLU C C 13 175.460 0.300 . 1 . . . . 41 GLU C . 10214 1 457 . 1 1 42 42 ASN N N 15 125.050 0.300 . 1 . . . . 42 ASN N . 10214 1 458 . 1 1 42 42 ASN H H 1 8.720 0.030 . 1 . . . . 42 ASN H . 10214 1 459 . 1 1 42 42 ASN CA C 13 51.186 0.300 . 1 . . . . 42 ASN CA . 10214 1 460 . 1 1 42 42 ASN HA H 1 2.979 0.030 . 1 . . . . 42 ASN HA . 10214 1 461 . 1 1 42 42 ASN CB C 13 38.637 0.300 . 1 . . . . 42 ASN CB . 10214 1 462 . 1 1 42 42 ASN HB2 H 1 2.545 0.030 . 1 . . . . 42 ASN HB2 . 10214 1 463 . 1 1 42 42 ASN HB3 H 1 2.545 0.030 . 1 . . . . 42 ASN HB3 . 10214 1 464 . 1 1 42 42 ASN ND2 N 15 111.585 0.300 . 1 . . . . 42 ASN ND2 . 10214 1 465 . 1 1 42 42 ASN HD21 H 1 7.439 0.030 . 2 . . . . 42 ASN HD21 . 10214 1 466 . 1 1 42 42 ASN HD22 H 1 6.822 0.030 . 2 . . . . 42 ASN HD22 . 10214 1 467 . 1 1 42 42 ASN C C 13 174.950 0.300 . 1 . . . . 42 ASN C . 10214 1 468 . 1 1 43 43 PRO CA C 13 63.681 0.300 . 1 . . . . 43 PRO CA . 10214 1 469 . 1 1 43 43 PRO HA H 1 3.869 0.030 . 1 . . . . 43 PRO HA . 10214 1 470 . 1 1 43 43 PRO CB C 13 31.408 0.300 . 1 . . . . 43 PRO CB . 10214 1 471 . 1 1 43 43 PRO HB2 H 1 0.979 0.030 . 1 . . . . 43 PRO HB2 . 10214 1 472 . 1 1 43 43 PRO HB3 H 1 0.979 0.030 . 1 . . . . 43 PRO HB3 . 10214 1 473 . 1 1 43 43 PRO CG C 13 26.179 0.300 . 1 . . . . 43 PRO CG . 10214 1 474 . 1 1 43 43 PRO HG2 H 1 0.673 0.030 . 2 . . . . 43 PRO HG2 . 10214 1 475 . 1 1 43 43 PRO HG3 H 1 0.172 0.030 . 2 . . . . 43 PRO HG3 . 10214 1 476 . 1 1 43 43 PRO CD C 13 50.123 0.300 . 1 . . . . 43 PRO CD . 10214 1 477 . 1 1 43 43 PRO HD2 H 1 2.571 0.030 . 2 . . . . 43 PRO HD2 . 10214 1 478 . 1 1 43 43 PRO HD3 H 1 2.658 0.030 . 2 . . . . 43 PRO HD3 . 10214 1 479 . 1 1 43 43 PRO C C 13 178.273 0.300 . 1 . . . . 43 PRO C . 10214 1 480 . 1 1 44 44 VAL N N 15 119.901 0.300 . 1 . . . . 44 VAL N . 10214 1 481 . 1 1 44 44 VAL H H 1 7.968 0.030 . 1 . . . . 44 VAL H . 10214 1 482 . 1 1 44 44 VAL CA C 13 64.744 0.300 . 1 . . . . 44 VAL CA . 10214 1 483 . 1 1 44 44 VAL HA H 1 3.646 0.030 . 1 . . . . 44 VAL HA . 10214 1 484 . 1 1 44 44 VAL CB C 13 31.581 0.300 . 1 . . . . 44 VAL CB . 10214 1 485 . 1 1 44 44 VAL HB H 1 1.915 0.030 . 1 . . . . 44 VAL HB . 10214 1 486 . 1 1 44 44 VAL CG1 C 13 21.209 0.300 . 2 . . . . 44 VAL CG1 . 10214 1 487 . 1 1 44 44 VAL HG11 H 1 0.819 0.030 . 1 . . . . 44 VAL HG1 . 10214 1 488 . 1 1 44 44 VAL HG12 H 1 0.819 0.030 . 1 . . . . 44 VAL HG1 . 10214 1 489 . 1 1 44 44 VAL HG13 H 1 0.819 0.030 . 1 . . . . 44 VAL HG1 . 10214 1 490 . 1 1 44 44 VAL CG2 C 13 22.078 0.300 . 2 . . . . 44 VAL CG2 . 10214 1 491 . 1 1 44 44 VAL HG21 H 1 0.841 0.030 . 1 . . . . 44 VAL HG2 . 10214 1 492 . 1 1 44 44 VAL HG22 H 1 0.841 0.030 . 1 . . . . 44 VAL HG2 . 10214 1 493 . 1 1 44 44 VAL HG23 H 1 0.841 0.030 . 1 . . . . 44 VAL HG2 . 10214 1 494 . 1 1 44 44 VAL C C 13 177.625 0.300 . 1 . . . . 44 VAL C . 10214 1 495 . 1 1 45 45 LEU N N 15 120.711 0.300 . 1 . . . . 45 LEU N . 10214 1 496 . 1 1 45 45 LEU H H 1 7.076 0.030 . 1 . . . . 45 LEU H . 10214 1 497 . 1 1 45 45 LEU CA C 13 56.822 0.300 . 1 . . . . 45 LEU CA . 10214 1 498 . 1 1 45 45 LEU HA H 1 3.994 0.030 . 1 . . . . 45 LEU HA . 10214 1 499 . 1 1 45 45 LEU CB C 13 41.194 0.300 . 1 . . . . 45 LEU CB . 10214 1 500 . 1 1 45 45 LEU HB2 H 1 1.660 0.030 . 2 . . . . 45 LEU HB2 . 10214 1 501 . 1 1 45 45 LEU HB3 H 1 1.541 0.030 . 2 . . . . 45 LEU HB3 . 10214 1 502 . 1 1 45 45 LEU CG C 13 27.099 0.300 . 1 . . . . 45 LEU CG . 10214 1 503 . 1 1 45 45 LEU HG H 1 1.457 0.030 . 1 . . . . 45 LEU HG . 10214 1 504 . 1 1 45 45 LEU CD1 C 13 24.856 0.300 . 2 . . . . 45 LEU CD1 . 10214 1 505 . 1 1 45 45 LEU HD11 H 1 0.916 0.030 . 1 . . . . 45 LEU HD1 . 10214 1 506 . 1 1 45 45 LEU HD12 H 1 0.916 0.030 . 1 . . . . 45 LEU HD1 . 10214 1 507 . 1 1 45 45 LEU HD13 H 1 0.916 0.030 . 1 . . . . 45 LEU HD1 . 10214 1 508 . 1 1 45 45 LEU CD2 C 13 23.009 0.300 . 2 . . . . 45 LEU CD2 . 10214 1 509 . 1 1 45 45 LEU HD21 H 1 0.797 0.030 . 1 . . . . 45 LEU HD2 . 10214 1 510 . 1 1 45 45 LEU HD22 H 1 0.797 0.030 . 1 . . . . 45 LEU HD2 . 10214 1 511 . 1 1 45 45 LEU HD23 H 1 0.797 0.030 . 1 . . . . 45 LEU HD2 . 10214 1 512 . 1 1 45 45 LEU C C 13 179.099 0.300 . 1 . . . . 45 LEU C . 10214 1 513 . 1 1 46 46 GLU N N 15 120.581 0.300 . 1 . . . . 46 GLU N . 10214 1 514 . 1 1 46 46 GLU H H 1 8.001 0.030 . 1 . . . . 46 GLU H . 10214 1 515 . 1 1 46 46 GLU CA C 13 58.462 0.300 . 1 . . . . 46 GLU CA . 10214 1 516 . 1 1 46 46 GLU HA H 1 3.961 0.030 . 1 . . . . 46 GLU HA . 10214 1 517 . 1 1 46 46 GLU CB C 13 29.956 0.300 . 1 . . . . 46 GLU CB . 10214 1 518 . 1 1 46 46 GLU HB2 H 1 1.897 0.030 . 2 . . . . 46 GLU HB2 . 10214 1 519 . 1 1 46 46 GLU HB3 H 1 1.808 0.030 . 2 . . . . 46 GLU HB3 . 10214 1 520 . 1 1 46 46 GLU CG C 13 35.869 0.300 . 1 . . . . 46 GLU CG . 10214 1 521 . 1 1 46 46 GLU HG2 H 1 2.090 0.030 . 2 . . . . 46 GLU HG2 . 10214 1 522 . 1 1 46 46 GLU HG3 H 1 2.168 0.030 . 2 . . . . 46 GLU HG3 . 10214 1 523 . 1 1 46 46 GLU C C 13 177.685 0.300 . 1 . . . . 46 GLU C . 10214 1 524 . 1 1 47 47 ALA N N 15 121.265 0.300 . 1 . . . . 47 ALA N . 10214 1 525 . 1 1 47 47 ALA H H 1 7.625 0.030 . 1 . . . . 47 ALA H . 10214 1 526 . 1 1 47 47 ALA CA C 13 54.438 0.300 . 1 . . . . 47 ALA CA . 10214 1 527 . 1 1 47 47 ALA HA H 1 4.082 0.030 . 1 . . . . 47 ALA HA . 10214 1 528 . 1 1 47 47 ALA CB C 13 18.192 0.300 . 1 . . . . 47 ALA CB . 10214 1 529 . 1 1 47 47 ALA HB1 H 1 1.398 0.030 . 1 . . . . 47 ALA HB . 10214 1 530 . 1 1 47 47 ALA HB2 H 1 1.398 0.030 . 1 . . . . 47 ALA HB . 10214 1 531 . 1 1 47 47 ALA HB3 H 1 1.398 0.030 . 1 . . . . 47 ALA HB . 10214 1 532 . 1 1 47 47 ALA C C 13 179.879 0.300 . 1 . . . . 47 ALA C . 10214 1 533 . 1 1 48 48 LYS N N 15 118.414 0.300 . 1 . . . . 48 LYS N . 10214 1 534 . 1 1 48 48 LYS H H 1 7.776 0.030 . 1 . . . . 48 LYS H . 10214 1 535 . 1 1 48 48 LYS CA C 13 58.491 0.300 . 1 . . . . 48 LYS CA . 10214 1 536 . 1 1 48 48 LYS HA H 1 4.063 0.030 . 1 . . . . 48 LYS HA . 10214 1 537 . 1 1 48 48 LYS CB C 13 32.565 0.300 . 1 . . . . 48 LYS CB . 10214 1 538 . 1 1 48 48 LYS HB2 H 1 1.853 0.030 . 1 . . . . 48 LYS HB2 . 10214 1 539 . 1 1 48 48 LYS HB3 H 1 1.853 0.030 . 1 . . . . 48 LYS HB3 . 10214 1 540 . 1 1 48 48 LYS CG C 13 25.200 0.300 . 1 . . . . 48 LYS CG . 10214 1 541 . 1 1 48 48 LYS HG2 H 1 1.385 0.030 . 2 . . . . 48 LYS HG2 . 10214 1 542 . 1 1 48 48 LYS HG3 H 1 1.540 0.030 . 2 . . . . 48 LYS HG3 . 10214 1 543 . 1 1 48 48 LYS CD C 13 29.394 0.300 . 1 . . . . 48 LYS CD . 10214 1 544 . 1 1 48 48 LYS HD2 H 1 1.616 0.030 . 2 . . . . 48 LYS HD2 . 10214 1 545 . 1 1 48 48 LYS CE C 13 42.030 0.300 . 1 . . . . 48 LYS CE . 10214 1 546 . 1 1 48 48 LYS HE2 H 1 2.908 0.030 . 2 . . . . 48 LYS HE2 . 10214 1 547 . 1 1 48 48 LYS C C 13 178.235 0.300 . 1 . . . . 48 LYS C . 10214 1 548 . 1 1 49 49 ARG N N 15 120.324 0.300 . 1 . . . . 49 ARG N . 10214 1 549 . 1 1 49 49 ARG H H 1 7.968 0.030 . 1 . . . . 49 ARG H . 10214 1 550 . 1 1 49 49 ARG CA C 13 58.156 0.300 . 1 . . . . 49 ARG CA . 10214 1 551 . 1 1 49 49 ARG HA H 1 4.140 0.030 . 1 . . . . 49 ARG HA . 10214 1 552 . 1 1 49 49 ARG CB C 13 30.349 0.300 . 1 . . . . 49 ARG CB . 10214 1 553 . 1 1 49 49 ARG HB2 H 1 1.820 0.030 . 2 . . . . 49 ARG HB2 . 10214 1 554 . 1 1 49 49 ARG HB3 H 1 1.883 0.030 . 2 . . . . 49 ARG HB3 . 10214 1 555 . 1 1 49 49 ARG CG C 13 27.474 0.300 . 1 . . . . 49 ARG CG . 10214 1 556 . 1 1 49 49 ARG HG2 H 1 1.581 0.030 . 2 . . . . 49 ARG HG2 . 10214 1 557 . 1 1 49 49 ARG HG3 H 1 1.660 0.030 . 2 . . . . 49 ARG HG3 . 10214 1 558 . 1 1 49 49 ARG CD C 13 43.289 0.300 . 1 . . . . 49 ARG CD . 10214 1 559 . 1 1 49 49 ARG HD2 H 1 3.214 0.030 . 2 . . . . 49 ARG HD2 . 10214 1 560 . 1 1 49 49 ARG HD3 H 1 3.126 0.030 . 2 . . . . 49 ARG HD3 . 10214 1 561 . 1 1 49 49 ARG C C 13 177.985 0.300 . 1 . . . . 49 ARG C . 10214 1 562 . 1 1 50 50 LYS N N 15 120.001 0.300 . 1 . . . . 50 LYS N . 10214 1 563 . 1 1 50 50 LYS H H 1 8.051 0.030 . 1 . . . . 50 LYS H . 10214 1 564 . 1 1 50 50 LYS CA C 13 58.185 0.300 . 1 . . . . 50 LYS CA . 10214 1 565 . 1 1 50 50 LYS HA H 1 4.099 0.030 . 1 . . . . 50 LYS HA . 10214 1 566 . 1 1 50 50 LYS CB C 13 32.645 0.300 . 1 . . . . 50 LYS CB . 10214 1 567 . 1 1 50 50 LYS HB2 H 1 1.802 0.030 . 1 . . . . 50 LYS HB2 . 10214 1 568 . 1 1 50 50 LYS CG C 13 25.396 0.300 . 1 . . . . 50 LYS CG . 10214 1 569 . 1 1 50 50 LYS HG2 H 1 1.393 0.030 . 2 . . . . 50 LYS HG2 . 10214 1 570 . 1 1 50 50 LYS HG3 H 1 1.541 0.030 . 2 . . . . 50 LYS HG3 . 10214 1 571 . 1 1 50 50 LYS CD C 13 29.328 0.300 . 1 . . . . 50 LYS CD . 10214 1 572 . 1 1 50 50 LYS HD2 H 1 1.662 0.030 . 2 . . . . 50 LYS HD2 . 10214 1 573 . 1 1 50 50 LYS CE C 13 42.114 0.300 . 1 . . . . 50 LYS CE . 10214 1 574 . 1 1 50 50 LYS HE2 H 1 2.966 0.030 . 2 . . . . 50 LYS HE2 . 10214 1 575 . 1 1 50 50 LYS C C 13 177.791 0.300 . 1 . . . . 50 LYS C . 10214 1 576 . 1 1 51 51 LYS N N 15 120.458 0.300 . 1 . . . . 51 LYS N . 10214 1 577 . 1 1 51 51 LYS H H 1 7.915 0.030 . 1 . . . . 51 LYS H . 10214 1 578 . 1 1 51 51 LYS CA C 13 57.452 0.300 . 1 . . . . 51 LYS CA . 10214 1 579 . 1 1 51 51 LYS HA H 1 4.189 0.030 . 1 . . . . 51 LYS HA . 10214 1 580 . 1 1 51 51 LYS CB C 13 32.620 0.300 . 1 . . . . 51 LYS CB . 10214 1 581 . 1 1 51 51 LYS HB2 H 1 1.857 0.030 . 1 . . . . 51 LYS HB2 . 10214 1 582 . 1 1 51 51 LYS HB3 H 1 1.857 0.030 . 1 . . . . 51 LYS HB3 . 10214 1 583 . 1 1 51 51 LYS CG C 13 24.802 0.300 . 1 . . . . 51 LYS CG . 10214 1 584 . 1 1 51 51 LYS HG2 H 1 1.482 0.030 . 2 . . . . 51 LYS HG2 . 10214 1 585 . 1 1 51 51 LYS HG3 H 1 1.452 0.030 . 2 . . . . 51 LYS HG3 . 10214 1 586 . 1 1 51 51 LYS CD C 13 29.022 0.300 . 1 . . . . 51 LYS CD . 10214 1 587 . 1 1 51 51 LYS HD2 H 1 1.678 0.030 . 2 . . . . 51 LYS HD2 . 10214 1 588 . 1 1 51 51 LYS CE C 13 42.120 0.300 . 1 . . . . 51 LYS CE . 10214 1 589 . 1 1 51 51 LYS HE2 H 1 2.968 0.030 . 2 . . . . 51 LYS HE2 . 10214 1 590 . 1 1 51 51 LYS C C 13 177.670 0.300 . 1 . . . . 51 LYS C . 10214 1 591 . 1 1 52 52 GLN N N 15 119.883 0.300 . 1 . . . . 52 GLN N . 10214 1 592 . 1 1 52 52 GLN H H 1 8.060 0.030 . 1 . . . . 52 GLN H . 10214 1 593 . 1 1 52 52 GLN CA C 13 56.866 0.300 . 1 . . . . 52 GLN CA . 10214 1 594 . 1 1 52 52 GLN HA H 1 4.213 0.030 . 1 . . . . 52 GLN HA . 10214 1 595 . 1 1 52 52 GLN CB C 13 28.969 0.300 . 1 . . . . 52 GLN CB . 10214 1 596 . 1 1 52 52 GLN HB2 H 1 2.117 0.030 . 2 . . . . 52 GLN HB2 . 10214 1 597 . 1 1 52 52 GLN HB3 H 1 2.094 0.030 . 2 . . . . 52 GLN HB3 . 10214 1 598 . 1 1 52 52 GLN CG C 13 33.938 0.300 . 1 . . . . 52 GLN CG . 10214 1 599 . 1 1 52 52 GLN HG2 H 1 2.383 0.030 . 2 . . . . 52 GLN HG2 . 10214 1 600 . 1 1 52 52 GLN HG3 H 1 2.431 0.030 . 2 . . . . 52 GLN HG3 . 10214 1 601 . 1 1 52 52 GLN NE2 N 15 112.161 0.300 . 1 . . . . 52 GLN NE2 . 10214 1 602 . 1 1 52 52 GLN HE21 H 1 7.520 0.030 . 2 . . . . 52 GLN HE21 . 10214 1 603 . 1 1 52 52 GLN HE22 H 1 6.857 0.030 . 2 . . . . 52 GLN HE22 . 10214 1 604 . 1 1 52 52 GLN C C 13 176.851 0.300 . 1 . . . . 52 GLN C . 10214 1 605 . 1 1 53 53 LEU N N 15 121.489 0.300 . 1 . . . . 53 LEU N . 10214 1 606 . 1 1 53 53 LEU H H 1 8.027 0.030 . 1 . . . . 53 LEU H . 10214 1 607 . 1 1 53 53 LEU CA C 13 55.826 0.300 . 1 . . . . 53 LEU CA . 10214 1 608 . 1 1 53 53 LEU HA H 1 4.288 0.030 . 1 . . . . 53 LEU HA . 10214 1 609 . 1 1 53 53 LEU CB C 13 42.379 0.300 . 1 . . . . 53 LEU CB . 10214 1 610 . 1 1 53 53 LEU HB2 H 1 1.614 0.030 . 2 . . . . 53 LEU HB2 . 10214 1 611 . 1 1 53 53 LEU HB3 H 1 1.729 0.030 . 2 . . . . 53 LEU HB3 . 10214 1 612 . 1 1 53 53 LEU CG C 13 26.912 0.300 . 1 . . . . 53 LEU CG . 10214 1 613 . 1 1 53 53 LEU HG H 1 1.692 0.030 . 1 . . . . 53 LEU HG . 10214 1 614 . 1 1 53 53 LEU CD1 C 13 25.023 0.300 . 2 . . . . 53 LEU CD1 . 10214 1 615 . 1 1 53 53 LEU HD11 H 1 0.896 0.030 . 1 . . . . 53 LEU HD1 . 10214 1 616 . 1 1 53 53 LEU HD12 H 1 0.896 0.030 . 1 . . . . 53 LEU HD1 . 10214 1 617 . 1 1 53 53 LEU HD13 H 1 0.896 0.030 . 1 . . . . 53 LEU HD1 . 10214 1 618 . 1 1 53 53 LEU CD2 C 13 23.342 0.300 . 2 . . . . 53 LEU CD2 . 10214 1 619 . 1 1 53 53 LEU HD21 H 1 0.870 0.030 . 1 . . . . 53 LEU HD2 . 10214 1 620 . 1 1 53 53 LEU HD22 H 1 0.870 0.030 . 1 . . . . 53 LEU HD2 . 10214 1 621 . 1 1 53 53 LEU HD23 H 1 0.870 0.030 . 1 . . . . 53 LEU HD2 . 10214 1 622 . 1 1 53 53 LEU C C 13 177.973 0.300 . 1 . . . . 53 LEU C . 10214 1 623 . 1 1 54 54 GLU N N 15 120.395 0.300 . 1 . . . . 54 GLU N . 10214 1 624 . 1 1 54 54 GLU H H 1 8.141 0.030 . 1 . . . . 54 GLU H . 10214 1 625 . 1 1 54 54 GLU CA C 13 56.906 0.300 . 1 . . . . 54 GLU CA . 10214 1 626 . 1 1 54 54 GLU HA H 1 4.291 0.030 . 1 . . . . 54 GLU HA . 10214 1 627 . 1 1 54 54 GLU CB C 13 30.228 0.300 . 1 . . . . 54 GLU CB . 10214 1 628 . 1 1 54 54 GLU HB2 H 1 2.003 0.030 . 2 . . . . 54 GLU HB2 . 10214 1 629 . 1 1 54 54 GLU HB3 H 1 2.096 0.030 . 2 . . . . 54 GLU HB3 . 10214 1 630 . 1 1 54 54 GLU CG C 13 36.317 0.300 . 1 . . . . 54 GLU CG . 10214 1 631 . 1 1 54 54 GLU HG2 H 1 2.351 0.030 . 2 . . . . 54 GLU HG2 . 10214 1 632 . 1 1 54 54 GLU HG3 H 1 2.267 0.030 . 2 . . . . 54 GLU HG3 . 10214 1 633 . 1 1 54 54 GLU C C 13 176.762 0.300 . 1 . . . . 54 GLU C . 10214 1 634 . 1 1 55 55 SER N N 15 115.834 0.300 . 1 . . . . 55 SER N . 10214 1 635 . 1 1 55 55 SER H H 1 8.178 0.030 . 1 . . . . 55 SER H . 10214 1 636 . 1 1 55 55 SER CA C 13 58.606 0.300 . 1 . . . . 55 SER CA . 10214 1 637 . 1 1 55 55 SER HA H 1 4.492 0.030 . 1 . . . . 55 SER HA . 10214 1 638 . 1 1 55 55 SER CB C 13 63.869 0.300 . 1 . . . . 55 SER CB . 10214 1 639 . 1 1 55 55 SER HB2 H 1 3.902 0.030 . 1 . . . . 55 SER HB2 . 10214 1 640 . 1 1 55 55 SER HB3 H 1 3.902 0.030 . 1 . . . . 55 SER HB3 . 10214 1 641 . 1 1 55 55 SER C C 13 174.614 0.300 . 1 . . . . 55 SER C . 10214 1 642 . 1 1 56 56 GLY N N 15 110.601 0.300 . 1 . . . . 56 GLY N . 10214 1 643 . 1 1 56 56 GLY H H 1 8.163 0.030 . 1 . . . . 56 GLY H . 10214 1 644 . 1 1 56 56 GLY CA C 13 44.731 0.300 . 1 . . . . 56 GLY CA . 10214 1 645 . 1 1 56 56 GLY HA2 H 1 4.098 0.030 . 2 . . . . 56 GLY HA2 . 10214 1 646 . 1 1 56 56 GLY HA3 H 1 4.167 0.030 . 2 . . . . 56 GLY HA3 . 10214 1 647 . 1 1 56 56 GLY C C 13 171.805 0.300 . 1 . . . . 56 GLY C . 10214 1 648 . 1 1 57 57 PRO CA C 13 63.271 0.300 . 1 . . . . 57 PRO CA . 10214 1 649 . 1 1 57 57 PRO HA H 1 4.475 0.030 . 1 . . . . 57 PRO HA . 10214 1 650 . 1 1 57 57 PRO CB C 13 32.133 0.300 . 1 . . . . 57 PRO CB . 10214 1 651 . 1 1 57 57 PRO HB2 H 1 1.963 0.030 . 2 . . . . 57 PRO HB2 . 10214 1 652 . 1 1 57 57 PRO HB3 H 1 2.278 0.030 . 2 . . . . 57 PRO HB3 . 10214 1 653 . 1 1 57 57 PRO CG C 13 27.162 0.300 . 1 . . . . 57 PRO CG . 10214 1 654 . 1 1 57 57 PRO HG2 H 1 2.007 0.030 . 1 . . . . 57 PRO HG2 . 10214 1 655 . 1 1 57 57 PRO HG3 H 1 2.007 0.030 . 1 . . . . 57 PRO HG3 . 10214 1 656 . 1 1 57 57 PRO CD C 13 49.805 0.300 . 1 . . . . 57 PRO CD . 10214 1 657 . 1 1 57 57 PRO HD2 H 1 3.625 0.030 . 1 . . . . 57 PRO HD2 . 10214 1 658 . 1 1 57 57 PRO HD3 H 1 3.625 0.030 . 1 . . . . 57 PRO HD3 . 10214 1 659 . 1 1 57 57 PRO C C 13 177.422 0.300 . 1 . . . . 57 PRO C . 10214 1 660 . 1 1 58 58 SER N N 15 116.422 0.300 . 1 . . . . 58 SER N . 10214 1 661 . 1 1 58 58 SER H H 1 8.524 0.030 . 1 . . . . 58 SER H . 10214 1 662 . 1 1 58 58 SER CA C 13 58.457 0.300 . 1 . . . . 58 SER CA . 10214 1 663 . 1 1 58 58 SER HA H 1 4.494 0.030 . 1 . . . . 58 SER HA . 10214 1 664 . 1 1 58 58 SER CB C 13 63.945 0.300 . 1 . . . . 58 SER CB . 10214 1 665 . 1 1 58 58 SER HB2 H 1 3.914 0.030 . 1 . . . . 58 SER HB2 . 10214 1 666 . 1 1 58 58 SER HB3 H 1 3.914 0.030 . 1 . . . . 58 SER HB3 . 10214 1 667 . 1 1 58 58 SER C C 13 174.720 0.300 . 1 . . . . 58 SER C . 10214 1 668 . 1 1 59 59 SER N N 15 117.951 0.300 . 1 . . . . 59 SER N . 10214 1 669 . 1 1 59 59 SER H H 1 8.342 0.030 . 1 . . . . 59 SER H . 10214 1 670 . 1 1 59 59 SER CA C 13 58.327 0.300 . 1 . . . . 59 SER CA . 10214 1 671 . 1 1 59 59 SER HA H 1 4.491 0.030 . 1 . . . . 59 SER HA . 10214 1 672 . 1 1 59 59 SER CB C 13 63.965 0.300 . 1 . . . . 59 SER CB . 10214 1 673 . 1 1 59 59 SER HB2 H 1 3.907 0.030 . 1 . . . . 59 SER HB2 . 10214 1 674 . 1 1 59 59 SER HB3 H 1 3.907 0.030 . 1 . . . . 59 SER HB3 . 10214 1 675 . 1 1 59 59 SER C C 13 173.967 0.300 . 1 . . . . 59 SER C . 10214 1 676 . 1 1 60 60 GLY N N 15 116.885 0.300 . 1 . . . . 60 GLY N . 10214 1 677 . 1 1 60 60 GLY H H 1 8.054 0.030 . 1 . . . . 60 GLY H . 10214 1 678 . 1 1 60 60 GLY CA C 13 46.223 0.300 . 1 . . . . 60 GLY CA . 10214 1 679 . 1 1 60 60 GLY C C 13 179.022 0.300 . 1 . . . . 60 GLY C . 10214 1 stop_ save_