data_18498 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18498 _Entry.Title ; YAP WW2 in complex with a Smad7 derived peptide. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-04 _Entry.Accession_date 2012-06-04 _Entry.Last_release_date 2012-11-19 _Entry.Original_release_date 2012-11-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Maria Macias . J. . 18498 2 Eric Aragon . . . 18498 3 Nina Goerner . . . 18498 4 Qiaoran Xi . . . 18498 5 Tiago Lopes . . . 18498 6 Sheng Gao . . . 18498 7 Joan Massague . . . 18498 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18498 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SMAD7 . 18498 WW . 18498 YAP . 18498 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18498 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 279 18498 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 . . 2012-11-19 2012-06-04 original author . 18498 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LTV 'BMRB Entry Tracking System' 18498 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18498 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22921829 _Citation.Full_citation . _Citation.Title 'Structural Basis for the Versatile Interactions of Smad7 with Regulator WW Domains in TGF-beta Pathways' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1726 _Citation.Page_last 1736 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Eric Aragon . . . 18498 1 2 Nina Goerner . . . 18498 1 3 Qiaoran Xi . . . 18498 1 4 Tiago Gomes . . . 18498 1 5 Sheng Gao . . . 18498 1 6 Joan Massague . . . 18498 1 7 Maria Macias . J. . 18498 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18498 _Assembly.ID 1 _Assembly.Name 'YAP WW2 in complex with a Smad7 derived peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'YAP WW2' 1 $YAPWW2 A . yes native no no . . . 18498 1 2 'Smad7 derived peptide' 2 $SMAD7 B . yes native no no . . . 18498 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YAPWW2 _Entity.Sf_category entity _Entity.Sf_framecode YAPWW2 _Entity.Entry_ID 18498 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YAPWW2 _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 ; GPLPDGWEQAMTQDGEIYYI NHKNKTTSWLDPRLDP ; _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 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4191.631 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17538 . "second WW domain from human YAP" . . . . . 94.44 38 100.00 100.00 4.68e-16 . . . . 18498 1 2 no PDB 2LAW . "Structure Of The Second Ww Domain From Human Yap In Complex With A Human Smad1 Derived Peptide" . . . . . 94.44 38 100.00 100.00 4.68e-16 . . . . 18498 1 3 no PDB 2LTV . "Yap Ww2 In Complex With A Smad7 Derived Peptide" . . . . . 100.00 36 100.00 100.00 1.91e-17 . . . . 18498 1 4 no DBJ BAG62143 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 326 100.00 100.00 2.14e-17 . . . . 18498 1 5 no DBJ BAH14487 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 326 100.00 100.00 2.23e-17 . . . . 18498 1 6 no EMBL CCI79621 . "Yes-associated protein isoform 8, partial [Homo sapiens]" . . . . . 100.00 152 100.00 100.00 3.86e-18 . . . . 18498 1 7 no EMBL CCI79622 . "Yes-associated protein isoform 9, partial [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 4.11e-18 . . . . 18498 1 8 no GB EAW67013 . "Yes-associated protein 1, 65kDa, isoform CRA_c [Homo sapiens]" . . . . . 100.00 328 100.00 100.00 2.29e-17 . . . . 18498 1 9 no GB ELW64947 . "Yorkie like protein [Tupaia chinensis]" . . . . . 100.00 342 100.00 100.00 2.14e-17 . . . . 18498 1 10 no GB EMP37969 . "Yorkie like protein [Chelonia mydas]" . . . . . 100.00 385 100.00 100.00 4.68e-17 . . . . 18498 1 11 no GB ETE73276 . "Yorkie-like protein [Ophiophagus hannah]" . . . . . 100.00 325 97.22 100.00 8.43e-17 . . . . 18498 1 12 no GB KFP99983 . "Yorkie, partial [Haliaeetus albicilla]" . . . . . 100.00 301 100.00 100.00 2.07e-17 . . . . 18498 1 13 no REF NP_001181974 . "yorkie homolog isoform 4 [Homo sapiens]" . . . . . 100.00 326 100.00 100.00 2.14e-17 . . . . 18498 1 14 no REF XP_002822438 . "PREDICTED: yorkie homolog isoform X2 [Pongo abelii]" . . . . . 100.00 330 100.00 100.00 2.19e-17 . . . . 18498 1 15 no REF XP_003253086 . "PREDICTED: transcriptional coactivator YAP1 [Nomascus leucogenys]" . . . . . 100.00 326 100.00 100.00 2.01e-17 . . . . 18498 1 16 no REF XP_004052073 . "PREDICTED: yorkie homolog [Gorilla gorilla gorilla]" . . . . . 100.00 326 100.00 100.00 2.14e-17 . . . . 18498 1 17 no REF XP_004283405 . "PREDICTED: transcriptional coactivator YAP1 isoform X9 [Orcinus orca]" . . . . . 100.00 326 100.00 100.00 2.34e-17 . . . . 18498 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 1 230 GLY . 18498 1 2 231 PRO . 18498 1 3 232 LEU . 18498 1 4 233 PRO . 18498 1 5 234 ASP . 18498 1 6 235 GLY . 18498 1 7 236 TRP . 18498 1 8 237 GLU . 18498 1 9 238 GLN . 18498 1 10 239 ALA . 18498 1 11 240 MET . 18498 1 12 241 THR . 18498 1 13 242 GLN . 18498 1 14 243 ASP . 18498 1 15 244 GLY . 18498 1 16 245 GLU . 18498 1 17 246 ILE . 18498 1 18 247 TYR . 18498 1 19 248 TYR . 18498 1 20 249 ILE . 18498 1 21 250 ASN . 18498 1 22 251 HIS . 18498 1 23 252 LYS . 18498 1 24 253 ASN . 18498 1 25 254 LYS . 18498 1 26 255 THR . 18498 1 27 256 THR . 18498 1 28 257 SER . 18498 1 29 258 TRP . 18498 1 30 259 LEU . 18498 1 31 260 ASP . 18498 1 32 261 PRO . 18498 1 33 262 ARG . 18498 1 34 263 LEU . 18498 1 35 264 ASP . 18498 1 36 265 PRO . 18498 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 18498 1 . PRO 2 2 18498 1 . LEU 3 3 18498 1 . PRO 4 4 18498 1 . ASP 5 5 18498 1 . GLY 6 6 18498 1 . TRP 7 7 18498 1 . GLU 8 8 18498 1 . GLN 9 9 18498 1 . ALA 10 10 18498 1 . MET 11 11 18498 1 . THR 12 12 18498 1 . GLN 13 13 18498 1 . ASP 14 14 18498 1 . GLY 15 15 18498 1 . GLU 16 16 18498 1 . ILE 17 17 18498 1 . TYR 18 18 18498 1 . TYR 19 19 18498 1 . ILE 20 20 18498 1 . ASN 21 21 18498 1 . HIS 22 22 18498 1 . LYS 23 23 18498 1 . ASN 24 24 18498 1 . LYS 25 25 18498 1 . THR 26 26 18498 1 . THR 27 27 18498 1 . SER 28 28 18498 1 . TRP 29 29 18498 1 . LEU 30 30 18498 1 . ASP 31 31 18498 1 . PRO 32 32 18498 1 . ARG 33 33 18498 1 . LEU 34 34 18498 1 . ASP 35 35 18498 1 . PRO 36 36 18498 1 stop_ save_ save_SMAD7 _Entity.Sf_category entity _Entity.Sf_framecode SMAD7 _Entity.Entry_ID 18498 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SMAD7 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GSPPPPYSRYPMD _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 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1407.580 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 204 GLY . 18498 2 2 205 SER . 18498 2 3 206 PRO . 18498 2 4 207 PRO . 18498 2 5 208 PRO . 18498 2 6 209 PRO . 18498 2 7 210 TYR . 18498 2 8 211 SER . 18498 2 9 212 ARG . 18498 2 10 213 TYR . 18498 2 11 214 PRO . 18498 2 12 215 MET . 18498 2 13 216 ASP . 18498 2 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 18498 2 . SER 2 2 18498 2 . PRO 3 3 18498 2 . PRO 4 4 18498 2 . PRO 5 5 18498 2 . PRO 6 6 18498 2 . TYR 7 7 18498 2 . SER 8 8 18498 2 . ARG 9 9 18498 2 . TYR 10 10 18498 2 . PRO 11 11 18498 2 . MET 12 12 18498 2 . ASP 13 13 18498 2 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 18498 _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 $YAPWW2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18498 1 2 2 $SMAD7 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18498 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 18498 _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 $YAPWW2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . petM11 . . . . . . 18498 1 2 2 $SMAD7 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18498 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Homonuclear _Sample.Sf_category sample _Sample.Sf_framecode Homonuclear _Sample.Entry_ID 18498 _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 YAPWW2 'natural abundance' . . 1 $YAPWW2 . . 1 . . mM . . . . 18498 1 2 SMAD7 'natural abundance' . . 2 $SMAD7 . . 2 . . mM . . . . 18498 1 3 TRIS '[U-100% 2H]' . . . . . . 20 . . mM . . . . 18498 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18498 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18498 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18498 1 stop_ save_ save_15N13C _Sample.Sf_category sample _Sample.Sf_framecode 15N13C _Sample.Entry_ID 18498 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YAPWW2 '[U-100% 13C; U-100% 15N]' . . 1 $YAPWW2 . . 1 . . mM . . . . 18498 2 2 SMAD7 'natural abundance' . . 2 $SMAD7 . . 3 . . mM . . . . 18498 2 3 TRIS '[U-100% 2H]' . . . . . . 20 . . mM . . . . 18498 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18498 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18498 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18498 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18498 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 18498 1 pressure 1 . atm 18498 1 temperature 285 . K 18498 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18498 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18498 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18498 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18498 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18498 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18498 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18498 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18498 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18498 3 'peak picking' 18498 3 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 18498 _Software.ID 4 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18498 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18498 4 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 18498 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18498 _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 . 600 . . . 18498 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 18498 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18498 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $Homonuclear isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18498 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $Homonuclear isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18498 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18498 1 5 '3D HNCACB' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18498 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18498 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18498 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 18498 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 3 '2D 1H-1H NOESY' . . . 18498 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.260 0.02 . 1 . . . A 231 PRO HA . 18498 1 2 . 1 1 2 2 PRO HB2 H 1 1.796 0.02 . 2 . . . A 231 PRO HB2 . 18498 1 3 . 1 1 2 2 PRO HB3 H 1 1.721 0.004 . 2 . . . A 231 PRO HB3 . 18498 1 4 . 1 1 2 2 PRO HG2 H 1 2.077 0.003 . 2 . . . A 231 PRO HG2 . 18498 1 5 . 1 1 2 2 PRO HD2 H 1 3.368 0.02 . 2 . . . A 231 PRO HD2 . 18498 1 6 . 1 1 3 3 LEU H H 1 8.585 0.02 . 1 . . . A 232 LEU H . 18498 1 7 . 1 1 3 3 LEU HA H 1 3.954 0.02 . 1 . . . A 232 LEU HA . 18498 1 8 . 1 1 3 3 LEU HB2 H 1 1.607 0.002 . 2 . . . A 232 LEU HB2 . 18498 1 9 . 1 1 3 3 LEU HG H 1 1.174 0.02 . 1 . . . A 232 LEU HG . 18498 1 10 . 1 1 3 3 LEU HD11 H 1 0.894 0.071 . 2 . . . A 232 LEU HD11 . 18498 1 11 . 1 1 3 3 LEU HD12 H 1 0.894 0.071 . 2 . . . A 232 LEU HD12 . 18498 1 12 . 1 1 3 3 LEU HD13 H 1 0.894 0.071 . 2 . . . A 232 LEU HD13 . 18498 1 13 . 1 1 3 3 LEU HD21 H 1 0.582 0.02 . 2 . . . A 232 LEU HD21 . 18498 1 14 . 1 1 3 3 LEU HD22 H 1 0.582 0.02 . 2 . . . A 232 LEU HD22 . 18498 1 15 . 1 1 3 3 LEU HD23 H 1 0.582 0.02 . 2 . . . A 232 LEU HD23 . 18498 1 16 . 1 1 4 4 PRO HA H 1 4.280 0.02 . 1 . . . A 233 PRO HA . 18498 1 17 . 1 1 4 4 PRO HB2 H 1 2.217 0.02 . 2 . . . A 233 PRO HB2 . 18498 1 18 . 1 1 4 4 PRO HB3 H 1 1.796 0.02 . 2 . . . A 233 PRO HB3 . 18498 1 19 . 1 1 4 4 PRO HG2 H 1 1.558 0.02 . 2 . . . A 233 PRO HG2 . 18498 1 20 . 1 1 4 4 PRO HG3 H 1 1.353 0.004 . 2 . . . A 233 PRO HG3 . 18498 1 21 . 1 1 4 4 PRO HD2 H 1 3.172 0.02 . 2 . . . A 233 PRO HD2 . 18498 1 22 . 1 1 4 4 PRO HD3 H 1 2.713 0.02 . 2 . . . A 233 PRO HD3 . 18498 1 23 . 1 1 5 5 ASP H H 1 8.308 0.02 . 1 . . . A 234 ASP H . 18498 1 24 . 1 1 5 5 ASP HA H 1 4.218 0.02 . 1 . . . A 234 ASP HA . 18498 1 25 . 1 1 5 5 ASP HB2 H 1 2.511 0.002 . 2 . . . A 234 ASP HB2 . 18498 1 26 . 1 1 5 5 ASP HB3 H 1 2.390 0.002 . 2 . . . A 234 ASP HB3 . 18498 1 27 . 1 1 6 6 GLY H H 1 8.677 0.02 . 1 . . . A 235 GLY H . 18498 1 28 . 1 1 6 6 GLY HA2 H 1 3.550 0.02 . 2 . . . A 235 GLY HA2 . 18498 1 29 . 1 1 6 6 GLY HA3 H 1 4.007 0.02 . 2 . . . A 235 GLY HA3 . 18498 1 30 . 1 1 7 7 TRP H H 1 7.733 0.02 . 1 . . . A 236 TRP H . 18498 1 31 . 1 1 7 7 TRP HA H 1 5.777 0.02 . 1 . . . A 236 TRP HA . 18498 1 32 . 1 1 7 7 TRP HB2 H 1 3.075 0.02 . 2 . . . A 236 TRP HB2 . 18498 1 33 . 1 1 7 7 TRP HB3 H 1 2.799 0.02 . 2 . . . A 236 TRP HB3 . 18498 1 34 . 1 1 7 7 TRP HD1 H 1 6.826 0.02 . 1 . . . A 236 TRP HD1 . 18498 1 35 . 1 1 7 7 TRP HE1 H 1 10.227 0.02 . 1 . . . A 236 TRP HE1 . 18498 1 36 . 1 1 7 7 TRP HE3 H 1 7.222 0.02 . 1 . . . A 236 TRP HE3 . 18498 1 37 . 1 1 7 7 TRP HZ2 H 1 7.276 0.02 . 1 . . . A 236 TRP HZ2 . 18498 1 38 . 1 1 7 7 TRP HZ3 H 1 6.619 0.007 . 1 . . . A 236 TRP HZ3 . 18498 1 39 . 1 1 7 7 TRP HH2 H 1 6.983 0.02 . 1 . . . A 236 TRP HH2 . 18498 1 40 . 1 1 8 8 GLU H H 1 9.389 0.02 . 1 . . . A 237 GLU H . 18498 1 41 . 1 1 8 8 GLU HA H 1 4.540 0.02 . 1 . . . A 237 GLU HA . 18498 1 42 . 1 1 8 8 GLU HB2 H 1 1.898 0.02 . 2 . . . A 237 GLU HB2 . 18498 1 43 . 1 1 8 8 GLU HB3 H 1 1.819 0.02 . 2 . . . A 237 GLU HB3 . 18498 1 44 . 1 1 8 8 GLU HG2 H 1 2.158 0.02 . 2 . . . A 237 GLU HG2 . 18498 1 45 . 1 1 8 8 GLU HG3 H 1 2.057 0.02 . 2 . . . A 237 GLU HG3 . 18498 1 46 . 1 1 9 9 GLN H H 1 8.815 0.02 . 1 . . . A 238 GLN H . 18498 1 47 . 1 1 9 9 GLN HA H 1 4.354 0.02 . 1 . . . A 238 GLN HA . 18498 1 48 . 1 1 9 9 GLN HB2 H 1 1.741 0.02 . 2 . . . A 238 GLN HB2 . 18498 1 49 . 1 1 9 9 GLN HB3 H 1 1.726 0.02 . 2 . . . A 238 GLN HB3 . 18498 1 50 . 1 1 9 9 GLN HG2 H 1 1.935 0.02 . 2 . . . A 238 GLN HG2 . 18498 1 51 . 1 1 9 9 GLN HG3 H 1 1.776 0.02 . 2 . . . A 238 GLN HG3 . 18498 1 52 . 1 1 9 9 GLN HE21 H 1 7.143 0.02 . 2 . . . A 238 GLN HE21 . 18498 1 53 . 1 1 9 9 GLN HE22 H 1 6.897 0.02 . 2 . . . A 238 GLN HE22 . 18498 1 54 . 1 1 10 10 ALA H H 1 8.531 0.02 . 1 . . . A 239 ALA H . 18498 1 55 . 1 1 10 10 ALA HA H 1 4.223 0.02 . 1 . . . A 239 ALA HA . 18498 1 56 . 1 1 10 10 ALA HB1 H 1 0.288 0.02 . 1 . . . A 239 ALA HB1 . 18498 1 57 . 1 1 10 10 ALA HB2 H 1 0.288 0.02 . 1 . . . A 239 ALA HB2 . 18498 1 58 . 1 1 10 10 ALA HB3 H 1 0.288 0.02 . 1 . . . A 239 ALA HB3 . 18498 1 59 . 1 1 11 11 MET H H 1 7.854 0.02 . 1 . . . A 240 MET H . 18498 1 60 . 1 1 11 11 MET HA H 1 5.391 0.02 . 1 . . . A 240 MET HA . 18498 1 61 . 1 1 11 11 MET HB2 H 1 1.712 0.02 . 2 . . . A 240 MET HB2 . 18498 1 62 . 1 1 11 11 MET HB3 H 1 1.597 0.02 . 2 . . . A 240 MET HB3 . 18498 1 63 . 1 1 11 11 MET HG2 H 1 2.419 0.003 . 2 . . . A 240 MET HG2 . 18498 1 64 . 1 1 11 11 MET HG3 H 1 2.100 0.003 . 2 . . . A 240 MET HG3 . 18498 1 65 . 1 1 11 11 MET HE1 H 1 2.431 0.02 . 1 . . . A 240 MET HE1 . 18498 1 66 . 1 1 11 11 MET HE2 H 1 2.431 0.02 . 1 . . . A 240 MET HE2 . 18498 1 67 . 1 1 11 11 MET HE3 H 1 2.431 0.02 . 1 . . . A 240 MET HE3 . 18498 1 68 . 1 1 12 12 THR H H 1 9.495 0.02 . 1 . . . A 241 THR H . 18498 1 69 . 1 1 12 12 THR HA H 1 4.463 0.02 . 1 . . . A 241 THR HA . 18498 1 70 . 1 1 12 12 THR HB H 1 4.588 0.128 . 1 . . . A 241 THR HB . 18498 1 71 . 1 1 12 12 THR HG1 H 1 6.811 0.02 . 1 . . . A 241 THR HG1 . 18498 1 72 . 1 1 12 12 THR HG21 H 1 1.310 0.02 . 1 . . . A 241 THR HG21 . 18498 1 73 . 1 1 12 12 THR HG22 H 1 1.310 0.02 . 1 . . . A 241 THR HG22 . 18498 1 74 . 1 1 12 12 THR HG23 H 1 1.310 0.02 . 1 . . . A 241 THR HG23 . 18498 1 75 . 1 1 13 13 GLN H H 1 9.502 0.02 . 1 . . . A 242 GLN H . 18498 1 76 . 1 1 13 13 GLN HA H 1 3.975 0.02 . 1 . . . A 242 GLN HA . 18498 1 77 . 1 1 13 13 GLN HB2 H 1 2.027 0.02 . 2 . . . A 242 GLN HB2 . 18498 1 78 . 1 1 13 13 GLN HB3 H 1 1.917 0.02 . 2 . . . A 242 GLN HB3 . 18498 1 79 . 1 1 13 13 GLN HG2 H 1 2.428 0.02 . 2 . . . A 242 GLN HG2 . 18498 1 80 . 1 1 13 13 GLN HG3 H 1 2.088 0.02 . 2 . . . A 242 GLN HG3 . 18498 1 81 . 1 1 13 13 GLN HE21 H 1 7.455 0.02 . 2 . . . A 242 GLN HE21 . 18498 1 82 . 1 1 13 13 GLN HE22 H 1 6.789 0.02 . 2 . . . A 242 GLN HE22 . 18498 1 83 . 1 1 14 14 ASP H H 1 7.529 0.02 . 1 . . . A 243 ASP H . 18498 1 84 . 1 1 14 14 ASP HA H 1 4.628 0.02 . 1 . . . A 243 ASP HA . 18498 1 85 . 1 1 14 14 ASP HB2 H 1 2.673 0.02 . 2 . . . A 243 ASP HB2 . 18498 1 86 . 1 1 14 14 ASP HB3 H 1 2.328 0.02 . 2 . . . A 243 ASP HB3 . 18498 1 87 . 1 1 15 15 GLY H H 1 7.824 0.02 . 1 . . . A 244 GLY H . 18498 1 88 . 1 1 15 15 GLY HA2 H 1 3.614 0.02 . 2 . . . A 244 GLY HA2 . 18498 1 89 . 1 1 15 15 GLY HA3 H 1 3.979 0.02 . 2 . . . A 244 GLY HA3 . 18498 1 90 . 1 1 16 16 GLU H H 1 7.549 0.02 . 1 . . . A 245 GLU H . 18498 1 91 . 1 1 16 16 GLU HA H 1 4.325 0.002 . 1 . . . A 245 GLU HA . 18498 1 92 . 1 1 16 16 GLU HB2 H 1 1.914 0.02 . 2 . . . A 245 GLU HB2 . 18498 1 93 . 1 1 16 16 GLU HB3 H 1 1.725 0.02 . 2 . . . A 245 GLU HB3 . 18498 1 94 . 1 1 16 16 GLU HG2 H 1 2.034 0.02 . 2 . . . A 245 GLU HG2 . 18498 1 95 . 1 1 17 17 ILE H H 1 8.593 0.001 . 1 . . . A 246 ILE H . 18498 1 96 . 1 1 17 17 ILE HA H 1 4.465 0.02 . 1 . . . A 246 ILE HA . 18498 1 97 . 1 1 17 17 ILE HB H 1 1.583 0.02 . 1 . . . A 246 ILE HB . 18498 1 98 . 1 1 17 17 ILE HG12 H 1 1.245 0.304 . 2 . . . A 246 ILE HG12 . 18498 1 99 . 1 1 17 17 ILE HG13 H 1 0.954 0.001 . 2 . . . A 246 ILE HG13 . 18498 1 100 . 1 1 17 17 ILE HG21 H 1 0.501 0.02 . 1 . . . A 246 ILE HG21 . 18498 1 101 . 1 1 17 17 ILE HG22 H 1 0.501 0.02 . 1 . . . A 246 ILE HG22 . 18498 1 102 . 1 1 17 17 ILE HG23 H 1 0.501 0.02 . 1 . . . A 246 ILE HG23 . 18498 1 103 . 1 1 17 17 ILE HD11 H 1 0.655 0.02 . 1 . . . A 246 ILE HD11 . 18498 1 104 . 1 1 17 17 ILE HD12 H 1 0.655 0.02 . 1 . . . A 246 ILE HD12 . 18498 1 105 . 1 1 17 17 ILE HD13 H 1 0.655 0.02 . 1 . . . A 246 ILE HD13 . 18498 1 106 . 1 1 18 18 TYR H H 1 8.413 0.02 . 1 . . . A 247 TYR H . 18498 1 107 . 1 1 18 18 TYR HA H 1 4.682 0.02 . 1 . . . A 247 TYR HA . 18498 1 108 . 1 1 18 18 TYR HB2 H 1 2.245 0.02 . 2 . . . A 247 TYR HB2 . 18498 1 109 . 1 1 18 18 TYR HB3 H 1 1.942 0.02 . 2 . . . A 247 TYR HB3 . 18498 1 110 . 1 1 18 18 TYR HD1 H 1 6.592 0.02 . 3 . . . A 247 TYR HD1 . 18498 1 111 . 1 1 18 18 TYR HE1 H 1 6.058 0.02 . 3 . . . A 247 TYR HE1 . 18498 1 112 . 1 1 19 19 TYR H H 1 8.826 0.02 . 1 . . . A 248 TYR H . 18498 1 113 . 1 1 19 19 TYR HA H 1 4.998 0.02 . 1 . . . A 248 TYR HA . 18498 1 114 . 1 1 19 19 TYR HB2 H 1 2.979 0.02 . 2 . . . A 248 TYR HB2 . 18498 1 115 . 1 1 19 19 TYR HB3 H 1 2.667 0.02 . 2 . . . A 248 TYR HB3 . 18498 1 116 . 1 1 19 19 TYR HD2 H 1 6.591 0.02 . 3 . . . A 248 TYR HD2 . 18498 1 117 . 1 1 19 19 TYR HE2 H 1 6.507 0.001 . 3 . . . A 248 TYR HE2 . 18498 1 118 . 1 1 20 20 ILE H H 1 9.279 0.02 . 1 . . . A 249 ILE H . 18498 1 119 . 1 1 20 20 ILE HA H 1 4.144 0.02 . 1 . . . A 249 ILE HA . 18498 1 120 . 1 1 20 20 ILE HB H 1 0.501 0.004 . 1 . . . A 249 ILE HB . 18498 1 121 . 1 1 20 20 ILE HG12 H 1 1.190 0.02 . 2 . . . A 249 ILE HG12 . 18498 1 122 . 1 1 20 20 ILE HG13 H 1 0.972 0.02 . 2 . . . A 249 ILE HG13 . 18498 1 123 . 1 1 20 20 ILE HG21 H 1 0.325 0.002 . 1 . . . A 249 ILE HG21 . 18498 1 124 . 1 1 20 20 ILE HG22 H 1 0.325 0.002 . 1 . . . A 249 ILE HG22 . 18498 1 125 . 1 1 20 20 ILE HG23 H 1 0.325 0.002 . 1 . . . A 249 ILE HG23 . 18498 1 126 . 1 1 20 20 ILE HD11 H 1 0.134 0.02 . 1 . . . A 249 ILE HD11 . 18498 1 127 . 1 1 20 20 ILE HD12 H 1 0.134 0.02 . 1 . . . A 249 ILE HD12 . 18498 1 128 . 1 1 20 20 ILE HD13 H 1 0.134 0.02 . 1 . . . A 249 ILE HD13 . 18498 1 129 . 1 1 21 21 ASN H H 1 8.348 0.02 . 1 . . . A 250 ASN H . 18498 1 130 . 1 1 21 21 ASN HA H 1 3.802 0.02 . 1 . . . A 250 ASN HA . 18498 1 131 . 1 1 21 21 ASN HB2 H 1 2.235 0.005 . 2 . . . A 250 ASN HB2 . 18498 1 132 . 1 1 21 21 ASN HB3 H 1 -0.387 0.02 . 2 . . . A 250 ASN HB3 . 18498 1 133 . 1 1 21 21 ASN HD21 H 1 5.680 0.02 . 2 . . . A 250 ASN HD21 . 18498 1 134 . 1 1 21 21 ASN HD22 H 1 6.468 0.02 . 2 . . . A 250 ASN HD22 . 18498 1 135 . 1 1 22 22 HIS H H 1 8.580 0.02 . 1 . . . A 251 HIS H . 18498 1 136 . 1 1 22 22 HIS HA H 1 4.103 0.02 . 1 . . . A 251 HIS HA . 18498 1 137 . 1 1 22 22 HIS HB2 H 1 2.864 0.02 . 2 . . . A 251 HIS HB2 . 18498 1 138 . 1 1 22 22 HIS HD1 H 1 6.688 0.001 . 1 . . . A 251 HIS HD1 . 18498 1 139 . 1 1 22 22 HIS HE1 H 1 7.535 0.02 . 1 . . . A 251 HIS HE1 . 18498 1 140 . 1 1 23 23 LYS H H 1 7.959 0.02 . 1 . . . A 252 LYS H . 18498 1 141 . 1 1 23 23 LYS HA H 1 3.849 0.02 . 1 . . . A 252 LYS HA . 18498 1 142 . 1 1 23 23 LYS HB2 H 1 1.635 0.006 . 2 . . . A 252 LYS HB2 . 18498 1 143 . 1 1 23 23 LYS HB3 H 1 1.475 0.02 . 2 . . . A 252 LYS HB3 . 18498 1 144 . 1 1 23 23 LYS HG2 H 1 1.227 0.02 . 2 . . . A 252 LYS HG2 . 18498 1 145 . 1 1 23 23 LYS HG3 H 1 1.137 0.02 . 2 . . . A 252 LYS HG3 . 18498 1 146 . 1 1 23 23 LYS HD2 H 1 0.974 0.02 . 2 . . . A 252 LYS HD2 . 18498 1 147 . 1 1 23 23 LYS HD3 H 1 0.754 0.02 . 2 . . . A 252 LYS HD3 . 18498 1 148 . 1 1 23 23 LYS HE2 H 1 2.683 0.02 . 2 . . . A 252 LYS HE2 . 18498 1 149 . 1 1 24 24 ASN H H 1 6.530 0.02 . 1 . . . A 253 ASN H . 18498 1 150 . 1 1 24 24 ASN HA H 1 4.389 0.02 . 1 . . . A 253 ASN HA . 18498 1 151 . 1 1 24 24 ASN HB2 H 1 2.455 0.015 . 2 . . . A 253 ASN HB2 . 18498 1 152 . 1 1 24 24 ASN HB3 H 1 2.362 0.009 . 2 . . . A 253 ASN HB3 . 18498 1 153 . 1 1 24 24 ASN HD21 H 1 7.193 0.02 . 2 . . . A 253 ASN HD21 . 18498 1 154 . 1 1 24 24 ASN HD22 H 1 6.525 0.02 . 2 . . . A 253 ASN HD22 . 18498 1 155 . 1 1 25 25 LYS H H 1 7.069 0.02 . 1 . . . A 254 LYS H . 18498 1 156 . 1 1 25 25 LYS HA H 1 2.370 0.491 . 1 . . . A 254 LYS HA . 18498 1 157 . 1 1 25 25 LYS HB2 H 1 1.354 0.02 . 2 . . . A 254 LYS HB2 . 18498 1 158 . 1 1 25 25 LYS HB3 H 1 1.282 0.02 . 2 . . . A 254 LYS HB3 . 18498 1 159 . 1 1 25 25 LYS HG2 H 1 1.429 0.02 . 2 . . . A 254 LYS HG2 . 18498 1 160 . 1 1 25 25 LYS HG3 H 1 1.156 0.02 . 2 . . . A 254 LYS HG3 . 18498 1 161 . 1 1 25 25 LYS HD2 H 1 0.517 0.02 . 2 . . . A 254 LYS HD2 . 18498 1 162 . 1 1 25 25 LYS HE2 H 1 2.696 0.002 . 2 . . . A 254 LYS HE2 . 18498 1 163 . 1 1 26 26 THR H H 1 7.365 0.003 . 1 . . . A 255 THR H . 18498 1 164 . 1 1 26 26 THR HA H 1 4.607 0.02 . 1 . . . A 255 THR HA . 18498 1 165 . 1 1 26 26 THR HB H 1 3.969 0.02 . 1 . . . A 255 THR HB . 18498 1 166 . 1 1 26 26 THR HG21 H 1 0.775 0.02 . 1 . . . A 255 THR HG21 . 18498 1 167 . 1 1 26 26 THR HG22 H 1 0.775 0.02 . 1 . . . A 255 THR HG22 . 18498 1 168 . 1 1 26 26 THR HG23 H 1 0.775 0.02 . 1 . . . A 255 THR HG23 . 18498 1 169 . 1 1 27 27 THR H H 1 7.959 0.02 . 1 . . . A 256 THR H . 18498 1 170 . 1 1 27 27 THR HA H 1 5.255 0.02 . 1 . . . A 256 THR HA . 18498 1 171 . 1 1 27 27 THR HB H 1 3.971 0.02 . 1 . . . A 256 THR HB . 18498 1 172 . 1 1 27 27 THR HG1 H 1 4.850 0.003 . 1 . . . A 256 THR HG1 . 18498 1 173 . 1 1 27 27 THR HG21 H 1 0.979 0.02 . 1 . . . A 256 THR HG21 . 18498 1 174 . 1 1 27 27 THR HG22 H 1 0.979 0.02 . 1 . . . A 256 THR HG22 . 18498 1 175 . 1 1 27 27 THR HG23 H 1 0.979 0.02 . 1 . . . A 256 THR HG23 . 18498 1 176 . 1 1 28 28 SER H H 1 9.219 0.02 . 1 . . . A 257 SER H . 18498 1 177 . 1 1 28 28 SER HA H 1 4.517 0.02 . 1 . . . A 257 SER HA . 18498 1 178 . 1 1 28 28 SER HB2 H 1 3.941 0.005 . 2 . . . A 257 SER HB2 . 18498 1 179 . 1 1 28 28 SER HB3 H 1 3.535 0.001 . 2 . . . A 257 SER HB3 . 18498 1 180 . 1 1 29 29 TRP H H 1 9.082 0.02 . 1 . . . A 258 TRP H . 18498 1 181 . 1 1 29 29 TRP HA H 1 5.062 0.02 . 1 . . . A 258 TRP HA . 18498 1 182 . 1 1 29 29 TRP HB2 H 1 3.504 0.02 . 2 . . . A 258 TRP HB2 . 18498 1 183 . 1 1 29 29 TRP HB3 H 1 2.997 0.215 . 2 . . . A 258 TRP HB3 . 18498 1 184 . 1 1 29 29 TRP HD1 H 1 7.146 0.02 . 1 . . . A 258 TRP HD1 . 18498 1 185 . 1 1 29 29 TRP HE1 H 1 9.959 0.02 . 1 . . . A 258 TRP HE1 . 18498 1 186 . 1 1 29 29 TRP HE3 H 1 8.027 0.02 . 1 . . . A 258 TRP HE3 . 18498 1 187 . 1 1 29 29 TRP HZ2 H 1 6.967 0.02 . 1 . . . A 258 TRP HZ2 . 18498 1 188 . 1 1 29 29 TRP HZ3 H 1 6.652 0.02 . 1 . . . A 258 TRP HZ3 . 18498 1 189 . 1 1 29 29 TRP HH2 H 1 6.832 0.02 . 1 . . . A 258 TRP HH2 . 18498 1 190 . 1 1 30 30 LEU H H 1 8.397 0.02 . 1 . . . A 259 LEU H . 18498 1 191 . 1 1 30 30 LEU HA H 1 4.194 0.02 . 1 . . . A 259 LEU HA . 18498 1 192 . 1 1 30 30 LEU HB2 H 1 1.393 0.02 . 2 . . . A 259 LEU HB2 . 18498 1 193 . 1 1 30 30 LEU HB3 H 1 1.382 0.02 . 2 . . . A 259 LEU HB3 . 18498 1 194 . 1 1 30 30 LEU HG H 1 1.207 0.02 . 1 . . . A 259 LEU HG . 18498 1 195 . 1 1 30 30 LEU HD11 H 1 0.709 0.02 . 2 . . . A 259 LEU HD11 . 18498 1 196 . 1 1 30 30 LEU HD12 H 1 0.709 0.02 . 2 . . . A 259 LEU HD12 . 18498 1 197 . 1 1 30 30 LEU HD13 H 1 0.709 0.02 . 2 . . . A 259 LEU HD13 . 18498 1 198 . 1 1 30 30 LEU HD21 H 1 0.645 0.02 . 2 . . . A 259 LEU HD21 . 18498 1 199 . 1 1 30 30 LEU HD22 H 1 0.645 0.02 . 2 . . . A 259 LEU HD22 . 18498 1 200 . 1 1 30 30 LEU HD23 H 1 0.645 0.02 . 2 . . . A 259 LEU HD23 . 18498 1 201 . 1 1 31 31 ASP H H 1 7.989 0.02 . 1 . . . A 260 ASP H . 18498 1 202 . 1 1 31 31 ASP HA H 1 2.669 0.02 . 1 . . . A 260 ASP HA . 18498 1 203 . 1 1 31 31 ASP HB2 H 1 2.341 0.002 . 2 . . . A 260 ASP HB2 . 18498 1 204 . 1 1 31 31 ASP HB3 H 1 2.189 0.02 . 2 . . . A 260 ASP HB3 . 18498 1 205 . 1 1 32 32 PRO HA H 1 3.639 0.02 . 1 . . . A 261 PRO HA . 18498 1 206 . 1 1 32 32 PRO HB2 H 1 0.511 0.02 . 2 . . . A 261 PRO HB2 . 18498 1 207 . 1 1 32 32 PRO HB3 H 1 0.241 0.002 . 2 . . . A 261 PRO HB3 . 18498 1 208 . 1 1 32 32 PRO HG2 H 1 0.393 0.02 . 2 . . . A 261 PRO HG2 . 18498 1 209 . 1 1 32 32 PRO HG3 H 1 0.090 0.02 . 2 . . . A 261 PRO HG3 . 18498 1 210 . 1 1 32 32 PRO HD2 H 1 2.531 0.02 . 2 . . . A 261 PRO HD2 . 18498 1 211 . 1 1 32 32 PRO HD3 H 1 2.320 0.02 . 2 . . . A 261 PRO HD3 . 18498 1 212 . 1 1 33 33 ARG H H 1 8.147 0.02 . 1 . . . A 262 ARG H . 18498 1 213 . 1 1 33 33 ARG HA H 1 3.625 0.02 . 1 . . . A 262 ARG HA . 18498 1 214 . 1 1 33 33 ARG HB2 H 1 1.325 0.02 . 2 . . . A 262 ARG HB2 . 18498 1 215 . 1 1 33 33 ARG HB3 H 1 1.016 0.02 . 2 . . . A 262 ARG HB3 . 18498 1 216 . 1 1 33 33 ARG HG2 H 1 1.610 0.02 . 2 . . . A 262 ARG HG2 . 18498 1 217 . 1 1 33 33 ARG HG3 H 1 1.550 0.02 . 2 . . . A 262 ARG HG3 . 18498 1 218 . 1 1 33 33 ARG HD2 H 1 2.649 0.02 . 2 . . . A 262 ARG HD2 . 18498 1 219 . 1 1 33 33 ARG HD3 H 1 2.592 0.02 . 2 . . . A 262 ARG HD3 . 18498 1 220 . 1 1 33 33 ARG HE H 1 8.411 0.02 . 1 . . . A 262 ARG HE . 18498 1 221 . 1 1 34 34 LEU H H 1 7.075 0.02 . 1 . . . A 263 LEU H . 18498 1 222 . 1 1 34 34 LEU HA H 1 3.991 0.02 . 1 . . . A 263 LEU HA . 18498 1 223 . 1 1 34 34 LEU HB2 H 1 1.270 0.02 . 2 . . . A 263 LEU HB2 . 18498 1 224 . 1 1 34 34 LEU HB3 H 1 1.184 0.004 . 2 . . . A 263 LEU HB3 . 18498 1 225 . 1 1 34 34 LEU HG H 1 1.160 0.004 . 1 . . . A 263 LEU HG . 18498 1 226 . 1 1 34 34 LEU HD11 H 1 0.696 0.02 . 2 . . . A 263 LEU HD11 . 18498 1 227 . 1 1 34 34 LEU HD12 H 1 0.696 0.02 . 2 . . . A 263 LEU HD12 . 18498 1 228 . 1 1 34 34 LEU HD13 H 1 0.696 0.02 . 2 . . . A 263 LEU HD13 . 18498 1 229 . 1 1 34 34 LEU HD21 H 1 0.522 0.02 . 2 . . . A 263 LEU HD21 . 18498 1 230 . 1 1 34 34 LEU HD22 H 1 0.522 0.02 . 2 . . . A 263 LEU HD22 . 18498 1 231 . 1 1 34 34 LEU HD23 H 1 0.522 0.02 . 2 . . . A 263 LEU HD23 . 18498 1 232 . 1 1 35 35 ASP H H 1 7.543 0.02 . 1 . . . A 264 ASP H . 18498 1 233 . 1 1 35 35 ASP HA H 1 4.525 0.02 . 1 . . . A 264 ASP HA . 18498 1 234 . 1 1 35 35 ASP HB2 H 1 2.462 0.003 . 2 . . . A 264 ASP HB2 . 18498 1 235 . 1 1 35 35 ASP HB3 H 1 2.188 0.003 . 2 . . . A 264 ASP HB3 . 18498 1 236 . 1 1 36 36 PRO HA H 1 4.168 0.02 . 1 . . . A 265 PRO HA . 18498 1 237 . 1 1 36 36 PRO HB2 H 1 1.950 0.02 . 2 . . . A 265 PRO HB2 . 18498 1 238 . 1 1 36 36 PRO HG2 H 1 1.760 0.02 . 2 . . . A 265 PRO HG2 . 18498 1 239 . 1 1 36 36 PRO HD2 H 1 3.486 0.003 . 2 . . . A 265 PRO HD2 . 18498 1 240 . 2 2 1 1 GLY H H 1 8.132 0.02 . 1 . . . . 204 GLY HN . 18498 1 241 . 2 2 1 1 GLY HA2 H 1 4.077 0.02 . 2 . . . . 204 GLY HA . 18498 1 242 . 2 2 1 1 GLY HA3 H 1 4.077 0.02 . 2 . . . . 204 GLY HA . 18498 1 243 . 2 2 2 2 SER HA H 1 4.441 0.02 . 1 . . . B 206 SER HA . 18498 1 244 . 2 2 2 2 SER HB2 H 1 4.024 0.02 . 2 . . . B 206 SER HB2 . 18498 1 245 . 2 2 3 3 PRO HA H 1 4.466 0.02 . 1 . . . B 207 PRO HA . 18498 1 246 . 2 2 3 3 PRO HB2 H 1 2.090 0.02 . 2 . . . B 207 PRO HB2 . 18498 1 247 . 2 2 3 3 PRO HG2 H 1 1.800 0.02 . 2 . . . B 207 PRO HG2 . 18498 1 248 . 2 2 3 3 PRO HD2 H 1 3.576 0.02 . 2 . . . B 207 PRO HD2 . 18498 1 249 . 2 2 3 3 PRO HD3 H 1 3.371 0.005 . 2 . . . B 207 PRO HD3 . 18498 1 250 . 2 2 6 6 PRO HA H 1 4.268 0.02 . 1 . . . B 210 PRO HA . 18498 1 251 . 2 2 6 6 PRO HG2 H 1 1.031 0.02 . 2 . . . B 210 PRO HG2 . 18498 1 252 . 2 2 7 7 TYR H H 1 7.860 0.003 . 1 . . . B 211 TYR H . 18498 1 253 . 2 2 7 7 TYR HA H 1 4.131 0.02 . 1 . . . B 211 TYR HA . 18498 1 254 . 2 2 7 7 TYR HB2 H 1 2.803 0.001 . 2 . . . B 211 TYR HB2 . 18498 1 255 . 2 2 7 7 TYR HB3 H 1 2.771 0.02 . 2 . . . B 211 TYR HB3 . 18498 1 256 . 2 2 7 7 TYR HD1 H 1 6.870 0.004 . 3 . . . B 211 TYR HD1 . 18498 1 257 . 2 2 7 7 TYR HD2 H 1 6.870 0.004 . 3 . . . B 211 TYR HD2 . 18498 1 258 . 2 2 7 7 TYR HE1 H 1 6.429 0.003 . 3 . . . B 211 TYR HE1 . 18498 1 259 . 2 2 7 7 TYR HE2 H 1 6.429 0.003 . 3 . . . B 211 TYR HE2 . 18498 1 260 . 2 2 9 9 ARG H H 1 8.221 0.02 . 1 . . . B 213 ARG H . 18498 1 261 . 2 2 9 9 ARG HA H 1 4.082 0.02 . 1 . . . B 213 ARG HA . 18498 1 262 . 2 2 9 9 ARG HB2 H 1 1.509 0.073 . 2 . . . B 213 ARG HB2 . 18498 1 263 . 2 2 9 9 ARG HB3 H 1 1.353 0.02 . 2 . . . B 213 ARG HB3 . 18498 1 264 . 2 2 9 9 ARG HG2 H 1 1.449 0.02 . 2 . . . B 213 ARG HG2 . 18498 1 265 . 2 2 9 9 ARG HG3 H 1 1.333 0.02 . 2 . . . B 213 ARG HG3 . 18498 1 266 . 2 2 9 9 ARG HD2 H 1 2.942 0.005 . 2 . . . B 213 ARG HD2 . 18498 1 267 . 2 2 10 10 TYR H H 1 7.969 0.02 . 1 . . . B 214 TYR H . 18498 1 268 . 2 2 10 10 TYR HA H 1 4.594 0.002 . 1 . . . B 214 TYR HA . 18498 1 269 . 2 2 10 10 TYR HB2 H 1 2.896 0.02 . 2 . . . B 214 TYR HB2 . 18498 1 270 . 2 2 10 10 TYR HB3 H 1 2.578 0.02 . 2 . . . B 214 TYR HB3 . 18498 1 271 . 2 2 10 10 TYR HD1 H 1 6.944 0.003 . 3 . . . B 214 TYR HD1 . 18498 1 272 . 2 2 10 10 TYR HD2 H 1 6.944 0.003 . 3 . . . B 214 TYR HD2 . 18498 1 273 . 2 2 10 10 TYR HE1 H 1 6.594 0.02 . 3 . . . B 214 TYR HE1 . 18498 1 274 . 2 2 10 10 TYR HE2 H 1 6.594 0.02 . 3 . . . B 214 TYR HE2 . 18498 1 275 . 2 2 11 11 PRO HA H 1 4.116 0.02 . 1 . . . B 215 PRO HA . 18498 1 276 . 2 2 11 11 PRO HB2 H 1 1.995 0.02 . 2 . . . B 215 PRO HB2 . 18498 1 277 . 2 2 11 11 PRO HG2 H 1 1.633 0.02 . 2 . . . B 215 PRO HG2 . 18498 1 278 . 2 2 11 11 PRO HD2 H 1 3.551 0.02 . 2 . . . B 215 PRO HD2 . 18498 1 279 . 2 2 11 11 PRO HD3 H 1 3.373 0.013 . 2 . . . B 215 PRO HD3 . 18498 1 stop_ save_