data_17966 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17966 _Entry.Title ; PDGFR beta-TM ; _Entry.Type macromolecule _Entry.Version_type new _Entry.Submission_date 2011-09-30 _Entry.Accession_date 2011-09-30 _Entry.Last_release_date 2012-09-20 _Entry.Original_release_date 2012-09-20 _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 'transmembrane helix of the platelet derived growth factor receptor beta' _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 Claudia Muhle-Goll . . . 17966 2 Silke Hoffmann . . . 17966 3 Anne Ulrich . S. . 17966 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' . 17966 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID dimer . 17966 'heptad repeat' . 17966 'receptor tyrosine kinase' . 17966 'transmembrane helix' . 17966 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17966 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 153 17966 '15N chemical shifts' 33 17966 '1H chemical shifts' 289 17966 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 . . 2012-09-20 2011-09-30 original author . 17966 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17966 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22619173 _Citation.Full_citation . _Citation.Title 'Hydrophobic Matching Controls the Tilt and Stability of the Dimeric Platelet-derived Growth Factor Receptor (PDGFR) Transmembrane Segment.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 31 _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 26178 _Citation.Page_last 26186 _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 Claudia Muhle-Goll . . . 17966 1 2 Silke Hoffmann . . . 17966 1 3 Sergii Afonin . . . 17966 1 4 Stephan Grage . L. . 17966 1 5 Anton Polyansky . A. . 17966 1 6 Dirk Windisch . . . 17966 1 7 Marcel Zeitler . . . 17966 1 8 Jochen Burck . . . 17966 1 9 Anne Ulrich . S. . 17966 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17966 _Assembly.ID 1 _Assembly.Name 'PDGFR-TM dimer' _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 'PDGFR-TM, chain 1' 1 $entity A . yes native no no . . . 17966 1 2 'PDGFR-TM, chain 2' 1 $entity B . yes native no no . . . 17966 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17966 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHSLPFKVVVISAILALVVL TIISLIILIMLWQKKPRYE ; _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 39 _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 4421.575 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L6W . "Pdgfr Beta-tm" . . . . . 100.00 39 100.00 100.00 4.24e-16 . . . . 17966 1 2 no DBJ BAD92894 . "platelet-derived growth factor receptor beta precursor variant [Homo sapiens]" . . . . . 97.44 777 100.00 100.00 5.03e-15 . . . . 17966 1 3 no DBJ BAE22283 . "unnamed protein product [Mus musculus]" . . . . . 97.44 1103 97.37 100.00 2.05e-14 . . . . 17966 1 4 no DBJ BAE34383 . "unnamed protein product [Mus musculus]" . . . . . 97.44 717 97.37 100.00 2.25e-14 . . . . 17966 1 5 no DBJ BAF85782 . "unnamed protein product [Homo sapiens]" . . . . . 97.44 1106 100.00 100.00 1.48e-14 . . . . 17966 1 6 no DBJ BAG11039 . "beta platelet-derived growth factor receptor precursor [synthetic construct]" . . . . . 97.44 1106 100.00 100.00 1.48e-14 . . . . 17966 1 7 no EMBL CAA27882 . "unnamed protein product [Mus musculus]" . . . . . 97.44 1098 97.37 100.00 2.08e-14 . . . . 17966 1 8 no GB AAA36427 . "platelet-derived growth factor receptor [Homo sapiens]" . . . . . 97.44 1106 100.00 100.00 1.45e-14 . . . . 17966 1 9 no GB AAA60049 . "platelet-derived growth factor receptor [Homo sapiens]" . . . . . 97.44 1106 100.00 100.00 1.48e-14 . . . . 17966 1 10 no GB AAH32224 . "Platelet-derived growth factor receptor, beta polypeptide [Homo sapiens]" . . . . . 97.44 1106 100.00 100.00 1.48e-14 . . . . 17966 1 11 no GB AAH55311 . "Platelet derived growth factor receptor, beta polypeptide [Mus musculus]" . . . . . 97.44 1099 97.37 100.00 2.06e-14 . . . . 17966 1 12 no GB AAS48371 . "platelet-derived growth factor receptor beta [Canis lupus familiaris]" . . . . . 97.44 1103 100.00 100.00 2.07e-14 . . . . 17966 1 13 no PRF 1210315A . "platelet derived growth factor receptor" . . . . . 97.44 1098 97.37 100.00 2.08e-14 . . . . 17966 1 14 no REF NP_001003382 . "platelet-derived growth factor receptor beta precursor [Canis lupus familiaris]" . . . . . 97.44 1103 100.00 100.00 2.07e-14 . . . . 17966 1 15 no REF NP_001069364 . "platelet-derived growth factor receptor beta precursor [Bos taurus]" . . . . . 97.44 1103 100.00 100.00 2.25e-14 . . . . 17966 1 16 no REF NP_001139740 . "platelet-derived growth factor receptor beta isoform 1 precursor [Mus musculus]" . . . . . 97.44 1099 97.37 100.00 2.08e-14 . . . . 17966 1 17 no REF NP_002600 . "platelet-derived growth factor receptor beta precursor [Homo sapiens]" . . . . . 97.44 1106 100.00 100.00 1.48e-14 . . . . 17966 1 18 no REF NP_032835 . "platelet-derived growth factor receptor beta isoform 2 precursor [Mus musculus]" . . . . . 97.44 1098 97.37 100.00 2.08e-14 . . . . 17966 1 19 no SP P05622 . "RecName: Full=Platelet-derived growth factor receptor beta; Short=PDGF-R-beta; Short=PDGFR-beta; AltName: Full=Beta platelet-de" . . . . . 97.44 1098 97.37 100.00 2.08e-14 . . . . 17966 1 20 no SP P09619 . "RecName: Full=Platelet-derived growth factor receptor beta; Short=PDGF-R-beta; Short=PDGFR-beta; AltName: Full=Beta platelet-de" . . . . . 97.44 1106 100.00 100.00 1.48e-14 . . . . 17966 1 21 no SP Q6QNF3 . "RecName: Full=Platelet-derived growth factor receptor beta; Short=PDGF-R-beta; Short=PDGFR-beta; AltName: Full=Beta platelet-de" . . . . . 97.44 1103 100.00 100.00 2.07e-14 . . . . 17966 1 22 no TPG DAA27302 . "TPA: platelet-derived growth factor receptor, beta polypeptide [Bos taurus]" . . . . . 97.44 1103 100.00 100.00 2.25e-14 . . . . 17966 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 . 17966 1 2 . HIS . 17966 1 3 . SER . 17966 1 4 . LEU . 17966 1 5 . PRO . 17966 1 6 . PHE . 17966 1 7 . LYS . 17966 1 8 . VAL . 17966 1 9 . VAL . 17966 1 10 . VAL . 17966 1 11 . ILE . 17966 1 12 . SER . 17966 1 13 . ALA . 17966 1 14 . ILE . 17966 1 15 . LEU . 17966 1 16 . ALA . 17966 1 17 . LEU . 17966 1 18 . VAL . 17966 1 19 . VAL . 17966 1 20 . LEU . 17966 1 21 . THR . 17966 1 22 . ILE . 17966 1 23 . ILE . 17966 1 24 . SER . 17966 1 25 . LEU . 17966 1 26 . ILE . 17966 1 27 . ILE . 17966 1 28 . LEU . 17966 1 29 . ILE . 17966 1 30 . MET . 17966 1 31 . LEU . 17966 1 32 . TRP . 17966 1 33 . GLN . 17966 1 34 . LYS . 17966 1 35 . LYS . 17966 1 36 . PRO . 17966 1 37 . ARG . 17966 1 38 . TYR . 17966 1 39 . GLU . 17966 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 17966 1 . HIS 2 2 17966 1 . SER 3 3 17966 1 . LEU 4 4 17966 1 . PRO 5 5 17966 1 . PHE 6 6 17966 1 . LYS 7 7 17966 1 . VAL 8 8 17966 1 . VAL 9 9 17966 1 . VAL 10 10 17966 1 . ILE 11 11 17966 1 . SER 12 12 17966 1 . ALA 13 13 17966 1 . ILE 14 14 17966 1 . LEU 15 15 17966 1 . ALA 16 16 17966 1 . LEU 17 17 17966 1 . VAL 18 18 17966 1 . VAL 19 19 17966 1 . LEU 20 20 17966 1 . THR 21 21 17966 1 . ILE 22 22 17966 1 . ILE 23 23 17966 1 . SER 24 24 17966 1 . LEU 25 25 17966 1 . ILE 26 26 17966 1 . ILE 27 27 17966 1 . LEU 28 28 17966 1 . ILE 29 29 17966 1 . MET 30 30 17966 1 . LEU 31 31 17966 1 . TRP 32 32 17966 1 . GLN 33 33 17966 1 . LYS 34 34 17966 1 . LYS 35 35 17966 1 . PRO 36 36 17966 1 . ARG 37 37 17966 1 . TYR 38 38 17966 1 . GLU 39 39 17966 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 17966 _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 . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 17966 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 17966 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL 21' . . . . . . . . . . . . . . . pMMHb . . . . . . 17966 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17966 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Reconstitution in 200 mM deuterated dodecylphophocholine' _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 PDGFR-TM '[U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 17966 1 2 DPC [U-2H] . . . . . . 200 . . mM . . . . 17966 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17966 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'reconstitution in 200 mM dodecylphosphocholine' _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 PDGFR-TM '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 17966 2 2 DPC [U-2H] . . . . . . 200 . . mM . . . . 17966 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17966 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; reconstitution in 200 mM dodecylphosphocholine; 1:1 mix of 13C/15N labelled and unlabelled peptide ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 PDGFR-TM '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 17966 3 2 PDGFR-TM 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 17966 3 3 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 17966 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17966 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'reconstitution in 200 mM dodecylphosphocholine' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 PDGFR-TM '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 17966 4 2 DPC [U-2H] . . . . . . 200 . . mM . . . . 17966 4 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 17966 _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 . mM 17966 1 pH 6.8 . pH 17966 1 pressure 1 . atm 17966 1 temperature 323 . K 17966 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17966 _Sample_condition_list.ID 2 _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 . mM 17966 2 pH 6.8 . pH 17966 2 pressure 1 . atm 17966 2 temperature 310 . K 17966 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17966 _Software.ID 1 _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' . . 17966 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17966 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17966 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17966 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17966 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17966 _Software.ID 3 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17966 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17966 3 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 17966 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17966 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17966 _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 . . . 17966 1 2 spectrometer_2 Bruker Avance . 900 . . . 17966 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 17966 _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 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17966 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17966 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17966 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17966 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17966 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17966 1 7 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17966 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17966 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17966 1 10 '3D 13C-filtered 13C-edited NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17966 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 17966 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.766 internal indirect 0.251449530 . . . . . 'pH, temperature, ionic strength' . . . 17966 1 H 1 water protons . . . . ppm 4.766 internal direct 1.0 . . . . . 'pH, temperature, ionic strength' . . . 17966 1 N 15 water protons . . . . ppm 4.766 internal indirect 0.101329118 . . . . . 'pH, temperature, ionic strength' . . . 17966 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17966 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N TOCSY' . . . 17966 1 2 '3D 1H-15N NOESY' . . . 17966 1 4 '3D HNCACB' . . . 17966 1 5 '3D HNCA' . . . 17966 1 6 '3D CBCA(CO)NH' . . . 17966 1 7 '3D C(CO)NH' . . . 17966 1 8 '3D 1H-13C NOESY' . . . 17966 1 9 '3D 1H-13C NOESY' . . . 17966 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 1 1 GLY HA2 H 1 3.710 0.05 . 2 . . . . 1 GLY HA1 . 17966 1 2 . 1 1 1 1 GLY HA3 H 1 3.172 0.05 . 2 . . . . 1 GLY HA2 . 17966 1 3 . 1 1 1 1 GLY CA C 13 45.926 0.3 . 1 . . . . 1 GLY CA . 17966 1 4 . 1 1 2 2 HIS HB2 H 1 3.091 0.05 . 2 . . . . 2 HIS HB1 . 17966 1 5 . 1 1 2 2 HIS HD2 H 1 6.990 0.05 . 4 . . . . 2 HIS HD2 . 17966 1 6 . 1 1 3 3 SER HA H 1 4.484 0.05 . 1 . . . . 3 SER HA . 17966 1 7 . 1 1 3 3 SER HB2 H 1 3.870 0.05 . 2 . . . . 3 SER HB1 . 17966 1 8 . 1 1 3 3 SER CA C 13 58.294 0.3 . 1 . . . . 3 SER CA . 17966 1 9 . 1 1 3 3 SER CB C 13 63.759 0.3 . 1 . . . . 3 SER CB . 17966 1 10 . 1 1 4 4 LEU H H 1 8.732 0.05 . 1 . . . . 4 LEU HN . 17966 1 11 . 1 1 4 4 LEU HA H 1 4.606 0.05 . 1 . . . . 4 LEU HA . 17966 1 12 . 1 1 4 4 LEU HB2 H 1 1.675 0.05 . 2 . . . . 4 LEU HB2 . 17966 1 13 . 1 1 4 4 LEU HD11 H 1 0.906 0.05 . 2 . . . . 4 LEU HD11 . 17966 1 14 . 1 1 4 4 LEU HD12 H 1 0.906 0.05 . 2 . . . . 4 LEU HD13 . 17966 1 15 . 1 1 4 4 LEU HD13 H 1 0.906 0.05 . 2 . . . . 4 LEU HD13 . 17966 1 16 . 1 1 4 4 LEU CA C 13 53.405 0.3 . 1 . . . . 4 LEU CA . 17966 1 17 . 1 1 4 4 LEU CB C 13 41.900 0.3 . 1 . . . . 4 LEU CB . 17966 1 18 . 1 1 4 4 LEU CD1 C 13 23.200 0.3 . 1 . . . . 4 LEU CD1 . 17966 1 19 . 1 1 4 4 LEU N N 15 124.335 0.3 . 1 . . . . 4 LEU N . 17966 1 20 . 1 1 5 5 PRO HA H 1 4.530 0.05 . 1 . . . . 5 PRO HA . 17966 1 21 . 1 1 5 5 PRO HB2 H 1 2.502 0.05 . 2 . . . . 5 PRO HB1 . 17966 1 22 . 1 1 5 5 PRO HB3 H 1 1.903 0.05 . 2 . . . . 5 PRO HB2 . 17966 1 23 . 1 1 5 5 PRO HG2 H 1 2.116 0.05 . 2 . . . . 5 PRO HG1 . 17966 1 24 . 1 1 5 5 PRO HD2 H 1 4.051 0.05 . 2 . . . . 5 PRO HD1 . 17966 1 25 . 1 1 5 5 PRO HD3 H 1 3.453 0.05 . 2 . . . . 5 PRO HD2 . 17966 1 26 . 1 1 5 5 PRO CA C 13 62.836 0.3 . 1 . . . . 5 PRO CA . 17966 1 27 . 1 1 5 5 PRO CB C 13 31.773 0.3 . 1 . . . . 5 PRO CB . 17966 1 28 . 1 1 5 5 PRO CG C 13 27.746 0.3 . 1 . . . . 5 PRO CG . 17966 1 29 . 1 1 5 5 PRO CD C 13 50.181 0.3 . 1 . . . . 5 PRO CD . 17966 1 30 . 1 1 6 6 PHE HA H 1 4.204 0.05 . 1 . . . . 6 PHE HA . 17966 1 31 . 1 1 6 6 PHE HB2 H 1 3.388 0.05 . 2 . . . . 6 PHE HB1 . 17966 1 32 . 1 1 6 6 PHE HB3 H 1 3.111 0.05 . 2 . . . . 6 PHE HB2 . 17966 1 33 . 1 1 6 6 PHE HD1 H 1 7.279 0.05 . 3 . . . . 6 PHE HD1 . 17966 1 34 . 1 1 6 6 PHE HE1 H 1 7.208 0.05 . 3 . . . . 6 PHE HE1 . 17966 1 35 . 1 1 6 6 PHE HZ H 1 7.091 0.05 . 1 . . . . 6 PHE HZ . 17966 1 36 . 1 1 6 6 PHE CA C 13 61.398 0.3 . 1 . . . . 6 PHE CA . 17966 1 37 . 1 1 6 6 PHE CB C 13 38.964 0.3 . 1 . . . . 6 PHE CB . 17966 1 38 . 1 1 6 6 PHE CD1 C 13 132.150 0.3 . 3 . . . . 6 PHE CD1 . 17966 1 39 . 1 1 6 6 PHE CE1 C 13 130.712 0.3 . 3 . . . . 6 PHE CE1 . 17966 1 40 . 1 1 6 6 PHE CZ C 13 128.698 0.3 . 1 . . . . 6 PHE CZ . 17966 1 41 . 1 1 7 7 LYS H H 1 8.995 0.05 . 1 . . . . 7 LYS HN . 17966 1 42 . 1 1 7 7 LYS HA H 1 3.704 0.05 . 1 . . . . 7 LYS HA . 17966 1 43 . 1 1 7 7 LYS HB2 H 1 1.929 0.05 . 2 . . . . 7 LYS HB1 . 17966 1 44 . 1 1 7 7 LYS HB3 H 1 1.797 0.05 . 2 . . . . 7 LYS HB2 . 17966 1 45 . 1 1 7 7 LYS HG2 H 1 1.550 0.05 . 2 . . . . 7 LYS HG1 . 17966 1 46 . 1 1 7 7 LYS HE2 H 1 2.913 0.05 . 2 . . . . 7 LYS HE1 . 17966 1 47 . 1 1 7 7 LYS CA C 13 60.247 0.3 . 1 . . . . 7 LYS CA . 17966 1 48 . 1 1 7 7 LYS CB C 13 32.636 0.3 . 1 . . . . 7 LYS CB . 17966 1 49 . 1 1 7 7 LYS CG C 13 25.793 0.3 . 1 . . . . 7 LYS CG . 17966 1 50 . 1 1 7 7 LYS CD C 13 29.897 0.3 . 1 . . . . 7 LYS CD . 17966 1 51 . 1 1 7 7 LYS CE C 13 41.552 0.3 . 1 . . . . 7 LYS CE . 17966 1 52 . 1 1 7 7 LYS N N 15 116.488 0.3 . 1 . . . . 7 LYS N . 17966 1 53 . 1 1 8 8 VAL H H 1 7.413 0.05 . 1 . . . . 8 VAL HN . 17966 1 54 . 1 1 8 8 VAL HA H 1 3.413 0.05 . 1 . . . . 8 VAL HA . 17966 1 55 . 1 1 8 8 VAL HB H 1 2.150 0.05 . 1 . . . . 8 VAL HB . 17966 1 56 . 1 1 8 8 VAL HG21 H 1 1.032 0.05 . 2 . . . . 8 VAL HG21 . 17966 1 57 . 1 1 8 8 VAL HG22 H 1 1.032 0.05 . 2 . . . . 8 VAL HG21 . 17966 1 58 . 1 1 8 8 VAL HG23 H 1 1.032 0.05 . 2 . . . . 8 VAL HG21 . 17966 1 59 . 1 1 8 8 VAL CA C 13 67.500 0.3 . 1 . . . . 8 VAL CA . 17966 1 60 . 1 1 8 8 VAL CB C 13 32.652 0.3 . 1 . . . . 8 VAL CB . 17966 1 61 . 1 1 8 8 VAL CG1 C 13 23.200 0.3 . 1 . . . . 8 VAL CG1 . 17966 1 62 . 1 1 8 8 VAL CG2 C 13 21.700 0.3 . 1 . . . . 8 VAL CG2 . 17966 1 63 . 1 1 8 8 VAL N N 15 115.625 0.3 . 1 . . . . 8 VAL N . 17966 1 64 . 1 1 9 9 VAL H H 1 7.356 0.05 . 1 . . . . 9 VAL HN . 17966 1 65 . 1 1 9 9 VAL HA H 1 3.396 0.05 . 1 . . . . 9 VAL HA . 17966 1 66 . 1 1 9 9 VAL HB H 1 2.156 0.05 . 1 . . . . 9 VAL HB . 17966 1 67 . 1 1 9 9 VAL HG21 H 1 0.974 0.05 . 2 . . . . 9 VAL HG21 . 17966 1 68 . 1 1 9 9 VAL HG22 H 1 0.974 0.05 . 2 . . . . 9 VAL HG21 . 17966 1 69 . 1 1 9 9 VAL HG23 H 1 0.974 0.05 . 2 . . . . 9 VAL HG21 . 17966 1 70 . 1 1 9 9 VAL CA C 13 66.863 0.3 . 1 . . . . 9 VAL CA . 17966 1 71 . 1 1 9 9 VAL CB C 13 30.910 0.3 . 1 . . . . 9 VAL CB . 17966 1 72 . 1 1 9 9 VAL CG1 C 13 23.144 0.3 . 1 . . . . 9 VAL CG1 . 17966 1 73 . 1 1 9 9 VAL CG2 C 13 21.675 0.3 . 2 . . . . 9 VAL CG2 . 17966 1 74 . 1 1 9 9 VAL N N 15 115.588 0.3 . 1 . . . . 9 VAL N . 17966 1 75 . 1 1 10 10 VAL H H 1 7.732 0.05 . 1 . . . . 10 VAL HN . 17966 1 76 . 1 1 10 10 VAL HA H 1 3.361 0.05 . 1 . . . . 10 VAL HA . 17966 1 77 . 1 1 10 10 VAL HB H 1 1.830 0.05 . 1 . . . . 10 VAL HB . 17966 1 78 . 1 1 10 10 VAL HG11 H 1 0.828 0.05 . 2 . . . . 10 VAL HG11 . 17966 1 79 . 1 1 10 10 VAL HG12 H 1 0.828 0.05 . 2 . . . . 10 VAL HG11 . 17966 1 80 . 1 1 10 10 VAL HG13 H 1 0.828 0.05 . 2 . . . . 10 VAL HG11 . 17966 1 81 . 1 1 10 10 VAL HG21 H 1 0.505 0.05 . 2 . . . . 10 VAL HG21 . 17966 1 82 . 1 1 10 10 VAL HG22 H 1 0.505 0.05 . 2 . . . . 10 VAL HG21 . 17966 1 83 . 1 1 10 10 VAL HG23 H 1 0.505 0.05 . 2 . . . . 10 VAL HG21 . 17966 1 84 . 1 1 10 10 VAL CA C 13 66.863 0.3 . 1 . . . . 10 VAL CA . 17966 1 85 . 1 1 10 10 VAL CB C 13 31.198 0.3 . 1 . . . . 10 VAL CB . 17966 1 86 . 1 1 10 10 VAL CG1 C 13 21.419 0.3 . 1 . . . . 10 VAL CG1 . 17966 1 87 . 1 1 10 10 VAL CG2 C 13 23.100 0.3 . 1 . . . . 10 VAL CG2 . 17966 1 88 . 1 1 10 10 VAL N N 15 122.762 0.3 . 1 . . . . 10 VAL N . 17966 1 89 . 1 1 11 11 ILE H H 1 7.887 0.05 . 1 . . . . 11 ILE HN . 17966 1 90 . 1 1 11 11 ILE HA H 1 3.566 0.05 . 1 . . . . 11 ILE HA . 17966 1 91 . 1 1 11 11 ILE HB H 1 1.830 0.05 . 1 . . . . 11 ILE HB . 17966 1 92 . 1 1 11 11 ILE HG12 H 1 1.830 0.05 . 1 . . . . 11 ILE HG11 . 17966 1 93 . 1 1 11 11 ILE HG13 H 1 1.113 0.05 . 1 . . . . 11 ILE HG12 . 17966 1 94 . 1 1 11 11 ILE HG21 H 1 0.830 0.05 . 1 . . . . 11 ILE HG21 . 17966 1 95 . 1 1 11 11 ILE HG22 H 1 0.830 0.05 . 1 . . . . 11 ILE HG21 . 17966 1 96 . 1 1 11 11 ILE HG23 H 1 0.830 0.05 . 1 . . . . 11 ILE HG21 . 17966 1 97 . 1 1 11 11 ILE HD11 H 1 0.770 0.05 . 1 . . . . 11 ILE HD11 . 17966 1 98 . 1 1 11 11 ILE HD12 H 1 0.770 0.05 . 1 . . . . 11 ILE HD11 . 17966 1 99 . 1 1 11 11 ILE HD13 H 1 0.770 0.05 . 1 . . . . 11 ILE HD11 . 17966 1 100 . 1 1 11 11 ILE CA C 13 65.385 0.3 . 1 . . . . 11 ILE CA . 17966 1 101 . 1 1 11 11 ILE CB C 13 37.474 0.3 . 1 . . . . 11 ILE CB . 17966 1 102 . 1 1 11 11 ILE CG1 C 13 29.857 0.3 . 1 . . . . 11 ILE CG1 . 17966 1 103 . 1 1 11 11 ILE CG2 C 13 17.680 0.3 . 1 . . . . 11 ILE CG2 . 17966 1 104 . 1 1 11 11 ILE CD1 C 13 13.583 0.3 . 1 . . . . 11 ILE CD1 . 17966 1 105 . 1 1 11 11 ILE N N 15 117.481 0.3 . 1 . . . . 11 ILE N . 17966 1 106 . 1 1 12 12 SER H H 1 8.090 0.05 . 1 . . . . 12 SER HN . 17966 1 107 . 1 1 12 12 SER HA H 1 3.963 0.05 . 1 . . . . 12 SER HA . 17966 1 108 . 1 1 12 12 SER HB2 H 1 3.954 0.05 . 2 . . . . 12 SER HB1 . 17966 1 109 . 1 1 12 12 SER HB3 H 1 3.582 0.05 . 2 . . . . 12 SER HB2 . 17966 1 110 . 1 1 12 12 SER CA C 13 63.699 0.3 . 1 . . . . 12 SER CA . 17966 1 111 . 1 1 12 12 SER CB C 13 62.836 0.3 . 1 . . . . 12 SER CB . 17966 1 112 . 1 1 12 12 SER N N 15 115.516 0.3 . 1 . . . . 12 SER N . 17966 1 113 . 1 1 13 13 ALA H H 1 8.122 0.05 . 1 . . . . 13 ALA HN . 17966 1 114 . 1 1 13 13 ALA HA H 1 3.902 0.05 . 1 . . . . 13 ALA HA . 17966 1 115 . 1 1 13 13 ALA HB1 H 1 1.384 0.05 . 1 . . . . 13 ALA HB1 . 17966 1 116 . 1 1 13 13 ALA HB2 H 1 1.384 0.05 . 1 . . . . 13 ALA HB1 . 17966 1 117 . 1 1 13 13 ALA HB3 H 1 1.384 0.05 . 1 . . . . 13 ALA HB1 . 17966 1 118 . 1 1 13 13 ALA CA C 13 55.358 0.3 . 1 . . . . 13 ALA CA . 17966 1 119 . 1 1 13 13 ALA CB C 13 17.967 0.3 . 1 . . . . 13 ALA CB . 17966 1 120 . 1 1 13 13 ALA N N 15 123.174 0.3 . 1 . . . . 13 ALA N . 17966 1 121 . 1 1 14 14 ILE H H 1 7.992 0.05 . 1 . . . . 14 ILE HN . 17966 1 122 . 1 1 14 14 ILE HA H 1 3.536 0.05 . 1 . . . . 14 ILE HA . 17966 1 123 . 1 1 14 14 ILE HB H 1 1.886 0.05 . 1 . . . . 14 ILE HB . 17966 1 124 . 1 1 14 14 ILE HG12 H 1 1.900 0.05 . 1 . . . . 14 ILE HG11 . 17966 1 125 . 1 1 14 14 ILE HG13 H 1 1.000 0.05 . 1 . . . . 14 ILE HG12 . 17966 1 126 . 1 1 14 14 ILE HG21 H 1 0.830 0.05 . 1 . . . . 14 ILE HG21 . 17966 1 127 . 1 1 14 14 ILE HG22 H 1 0.830 0.05 . 1 . . . . 14 ILE HG21 . 17966 1 128 . 1 1 14 14 ILE HG23 H 1 0.830 0.05 . 1 . . . . 14 ILE HG21 . 17966 1 129 . 1 1 14 14 ILE HD11 H 1 0.770 0.05 . 1 . . . . 14 ILE HD11 . 17966 1 130 . 1 1 14 14 ILE HD12 H 1 0.770 0.05 . 1 . . . . 14 ILE HD11 . 17966 1 131 . 1 1 14 14 ILE HD13 H 1 0.770 0.05 . 1 . . . . 14 ILE HD11 . 17966 1 132 . 1 1 14 14 ILE CA C 13 65.306 0.3 . 1 . . . . 14 ILE CA . 17966 1 133 . 1 1 14 14 ILE CB C 13 37.152 0.3 . 1 . . . . 14 ILE CB . 17966 1 134 . 1 1 14 14 ILE CG1 C 13 29.500 0.3 . 1 . . . . 14 ILE CG1 . 17966 1 135 . 1 1 14 14 ILE CG2 C 13 17.286 0.3 . 1 . . . . 14 ILE CG2 . 17966 1 136 . 1 1 14 14 ILE CD1 C 13 13.379 0.3 . 1 . . . . 14 ILE CD1 . 17966 1 137 . 1 1 14 14 ILE N N 15 116.690 0.3 . 1 . . . . 14 ILE N . 17966 1 138 . 1 1 15 15 LEU H H 1 8.400 0.05 . 1 . . . . 15 LEU HN . 17966 1 139 . 1 1 15 15 LEU HA H 1 3.878 0.05 . 1 . . . . 15 LEU HA . 17966 1 140 . 1 1 15 15 LEU HB2 H 1 1.819 0.05 . 2 . . . . 15 LEU HB1 . 17966 1 141 . 1 1 15 15 LEU HB3 H 1 1.505 0.05 . 2 . . . . 15 LEU HB2 . 17966 1 142 . 1 1 15 15 LEU HG H 1 1.765 0.05 . 1 . . . . 15 LEU HG . 17966 1 143 . 1 1 15 15 LEU HD11 H 1 0.775 0.05 . 2 . . . . 15 LEU HD11 . 17966 1 144 . 1 1 15 15 LEU HD12 H 1 0.775 0.05 . 2 . . . . 15 LEU HD11 . 17966 1 145 . 1 1 15 15 LEU HD13 H 1 0.775 0.05 . 2 . . . . 15 LEU HD11 . 17966 1 146 . 1 1 15 15 LEU HD21 H 1 0.775 0.05 . 2 . . . . 15 LEU HD21 . 17966 1 147 . 1 1 15 15 LEU HD22 H 1 0.775 0.05 . 2 . . . . 15 LEU HD21 . 17966 1 148 . 1 1 15 15 LEU HD23 H 1 0.775 0.05 . 2 . . . . 15 LEU HD21 . 17966 1 149 . 1 1 15 15 LEU CA C 13 57.947 0.3 . 1 . . . . 15 LEU CA . 17966 1 150 . 1 1 15 15 LEU CB C 13 41.052 0.3 . 1 . . . . 15 LEU CB . 17966 1 151 . 1 1 15 15 LEU CG C 13 26.883 0.3 . 1 . . . . 15 LEU CG . 17966 1 152 . 1 1 15 15 LEU CD1 C 13 24.904 0.3 . 2 . . . . 15 LEU CD1 . 17966 1 153 . 1 1 15 15 LEU CD2 C 13 23.602 0.3 . 2 . . . . 15 LEU CD2 . 17966 1 154 . 1 1 15 15 LEU N N 15 119.173 0.3 . 1 . . . . 15 LEU N . 17966 1 155 . 1 1 16 16 ALA H H 1 8.432 0.05 . 1 . . . . 16 ALA HN . 17966 1 156 . 1 1 16 16 ALA HA H 1 3.799 0.05 . 1 . . . . 16 ALA HA . 17966 1 157 . 1 1 16 16 ALA HB1 H 1 1.391 0.05 . 1 . . . . 16 ALA HB1 . 17966 1 158 . 1 1 16 16 ALA HB2 H 1 1.391 0.05 . 1 . . . . 16 ALA HB1 . 17966 1 159 . 1 1 16 16 ALA HB3 H 1 1.391 0.05 . 1 . . . . 16 ALA HB1 . 17966 1 160 . 1 1 16 16 ALA CA C 13 55.646 0.3 . 1 . . . . 16 ALA CA . 17966 1 161 . 1 1 16 16 ALA CB C 13 18.027 0.3 . 1 . . . . 16 ALA CB . 17966 1 162 . 1 1 16 16 ALA N N 15 120.060 0.3 . 1 . . . . 16 ALA N . 17966 1 163 . 1 1 17 17 LEU H H 1 8.085 0.05 . 1 . . . . 17 LEU HN . 17966 1 164 . 1 1 17 17 LEU HA H 1 3.927 0.05 . 1 . . . . 17 LEU HA . 17966 1 165 . 1 1 17 17 LEU HB2 H 1 1.915 0.05 . 2 . . . . 17 LEU HB1 . 17966 1 166 . 1 1 17 17 LEU HB3 H 1 1.478 0.05 . 2 . . . . 17 LEU HB2 . 17966 1 167 . 1 1 17 17 LEU HG H 1 1.754 0.05 . 1 . . . . 17 LEU HG . 17966 1 168 . 1 1 17 17 LEU HD11 H 1 0.914 0.05 . 2 . . . . 17 LEU HD11 . 17966 1 169 . 1 1 17 17 LEU HD12 H 1 0.914 0.05 . 2 . . . . 17 LEU HD11 . 17966 1 170 . 1 1 17 17 LEU HD13 H 1 0.914 0.05 . 2 . . . . 17 LEU HD11 . 17966 1 171 . 1 1 17 17 LEU HD21 H 1 0.764 0.05 . 2 . . . . 17 LEU HD21 . 17966 1 172 . 1 1 17 17 LEU HD22 H 1 0.764 0.05 . 2 . . . . 17 LEU HD21 . 17966 1 173 . 1 1 17 17 LEU HD23 H 1 0.764 0.05 . 2 . . . . 17 LEU HD21 . 17966 1 174 . 1 1 17 17 LEU CA C 13 58.180 0.3 . 1 . . . . 17 LEU CA . 17966 1 175 . 1 1 17 17 LEU CB C 13 41.993 0.3 . 1 . . . . 17 LEU CB . 17966 1 176 . 1 1 17 17 LEU CG C 13 26.950 0.3 . 1 . . . . 17 LEU CG . 17966 1 177 . 1 1 17 17 LEU CD1 C 13 24.300 0.3 . 1 . . . . 17 LEU CD1 . 17966 1 178 . 1 1 17 17 LEU CD2 C 13 23.600 0.3 . 1 . . . . 17 LEU CD2 . 17966 1 179 . 1 1 17 17 LEU N N 15 117.358 0.3 . 1 . . . . 17 LEU N . 17966 1 180 . 1 1 18 18 VAL H H 1 8.562 0.05 . 1 . . . . 18 VAL HN . 17966 1 181 . 1 1 18 18 VAL HA H 1 3.420 0.05 . 1 . . . . 18 VAL HA . 17966 1 182 . 1 1 18 18 VAL HB H 1 2.322 0.05 . 1 . . . . 18 VAL HB . 17966 1 183 . 1 1 18 18 VAL HG11 H 1 0.974 0.05 . 2 . . . . 18 VAL HG11 . 17966 1 184 . 1 1 18 18 VAL HG12 H 1 0.974 0.05 . 2 . . . . 18 VAL HG11 . 17966 1 185 . 1 1 18 18 VAL HG13 H 1 0.974 0.05 . 2 . . . . 18 VAL HG11 . 17966 1 186 . 1 1 18 18 VAL HG21 H 1 0.827 0.05 . 2 . . . . 18 VAL HG21 . 17966 1 187 . 1 1 18 18 VAL HG22 H 1 0.827 0.05 . 2 . . . . 18 VAL HG21 . 17966 1 188 . 1 1 18 18 VAL HG23 H 1 0.827 0.05 . 2 . . . . 18 VAL HG21 . 17966 1 189 . 1 1 18 18 VAL CA C 13 67.438 0.3 . 1 . . . . 18 VAL CA . 17966 1 190 . 1 1 18 18 VAL CB C 13 30.900 0.3 . 1 . . . . 18 VAL CB . 17966 1 191 . 1 1 18 18 VAL CG1 C 13 23.144 0.3 . 1 . . . . 18 VAL CG1 . 17966 1 192 . 1 1 18 18 VAL CG2 C 13 21.419 0.3 . 1 . . . . 18 VAL CG2 . 17966 1 193 . 1 1 18 18 VAL N N 15 122.222 0.3 . 1 . . . . 18 VAL N . 17966 1 194 . 1 1 19 19 VAL H H 1 8.450 0.05 . 1 . . . . 19 VAL HN . 17966 1 195 . 1 1 19 19 VAL HA H 1 3.413 0.05 . 1 . . . . 19 VAL HA . 17966 1 196 . 1 1 19 19 VAL HB H 1 2.158 0.05 . 1 . . . . 19 VAL HB . 17966 1 197 . 1 1 19 19 VAL HG11 H 1 0.974 0.05 . 2 . . . . 19 VAL HG11 . 17966 1 198 . 1 1 19 19 VAL HG12 H 1 0.974 0.05 . 2 . . . . 19 VAL HG11 . 17966 1 199 . 1 1 19 19 VAL HG13 H 1 0.974 0.05 . 2 . . . . 19 VAL HG11 . 17966 1 200 . 1 1 19 19 VAL HG21 H 1 0.844 0.05 . 2 . . . . 19 VAL HG21 . 17966 1 201 . 1 1 19 19 VAL HG22 H 1 0.844 0.05 . 2 . . . . 19 VAL HG21 . 17966 1 202 . 1 1 19 19 VAL HG23 H 1 0.844 0.05 . 2 . . . . 19 VAL HG21 . 17966 1 203 . 1 1 19 19 VAL CA C 13 67.438 0.3 . 1 . . . . 19 VAL CA . 17966 1 204 . 1 1 19 19 VAL CB C 13 30.900 0.3 . 1 . . . . 19 VAL CB . 17966 1 205 . 1 1 19 19 VAL CG1 C 13 23.193 0.3 . 2 . . . . 19 VAL CG1 . 17966 1 206 . 1 1 19 19 VAL CG2 C 13 21.131 0.3 . 1 . . . . 19 VAL CG2 . 17966 1 207 . 1 1 19 19 VAL N N 15 119.536 0.3 . 1 . . . . 19 VAL N . 17966 1 208 . 1 1 20 20 LEU H H 1 8.614 0.05 . 1 . . . . 20 LEU HN . 17966 1 209 . 1 1 20 20 LEU HA H 1 3.937 0.05 . 1 . . . . 20 LEU HA . 17966 1 210 . 1 1 20 20 LEU HB2 H 1 1.880 0.05 . 2 . . . . 20 LEU HB1 . 17966 1 211 . 1 1 20 20 LEU HB3 H 1 1.500 0.05 . 2 . . . . 20 LEU HB2 . 17966 1 212 . 1 1 20 20 LEU HG H 1 1.800 0.05 . 1 . . . . 20 LEU HG . 17966 1 213 . 1 1 20 20 LEU HD11 H 1 0.750 0.05 . 2 . . . . 20 LEU HD11 . 17966 1 214 . 1 1 20 20 LEU HD12 H 1 0.750 0.05 . 2 . . . . 20 LEU HD11 . 17966 1 215 . 1 1 20 20 LEU HD13 H 1 0.750 0.05 . 2 . . . . 20 LEU HD11 . 17966 1 216 . 1 1 20 20 LEU CA C 13 58.234 0.3 . 1 . . . . 20 LEU CA . 17966 1 217 . 1 1 20 20 LEU CB C 13 41.672 0.3 . 1 . . . . 20 LEU CB . 17966 1 218 . 1 1 20 20 LEU CG C 13 27.046 0.3 . 1 . . . . 20 LEU CG . 17966 1 219 . 1 1 20 20 LEU CD1 C 13 24.360 0.3 . 1 . . . . 20 LEU CD1 . 17966 1 220 . 1 1 20 20 LEU CD2 C 13 23.820 0.3 . 1 . . . . 20 LEU CD2 . 17966 1 221 . 1 1 20 20 LEU N N 15 118.337 0.3 . 1 . . . . 20 LEU N . 17966 1 222 . 1 1 21 21 THR H H 1 8.274 0.05 . 1 . . . . 21 THR HN . 17966 1 223 . 1 1 21 21 THR HA H 1 3.664 0.05 . 1 . . . . 21 THR HA . 17966 1 224 . 1 1 21 21 THR HB H 1 4.267 0.05 . 1 . . . . 21 THR HB . 17966 1 225 . 1 1 21 21 THR HG21 H 1 1.027 0.05 . 1 . . . . 21 THR HG21 . 17966 1 226 . 1 1 21 21 THR HG22 H 1 1.027 0.05 . 1 . . . . 21 THR HG21 . 17966 1 227 . 1 1 21 21 THR HG23 H 1 1.027 0.05 . 1 . . . . 21 THR HG21 . 17966 1 228 . 1 1 21 21 THR CA C 13 68.301 0.3 . 1 . . . . 21 THR CA . 17966 1 229 . 1 1 21 21 THR CB C 13 67.000 0.3 . 1 . . . . 21 THR CB . 17966 1 230 . 1 1 21 21 THR CG2 C 13 20.843 0.3 . 1 . . . . 21 THR CG2 . 17966 1 231 . 1 1 21 21 THR N N 15 119.230 0.3 . 1 . . . . 21 THR N . 17966 1 232 . 1 1 22 22 ILE H H 1 8.150 0.05 . 1 . . . . 22 ILE HN . 17966 1 233 . 1 1 22 22 ILE HA H 1 3.545 0.05 . 1 . . . . 22 ILE HA . 17966 1 234 . 1 1 22 22 ILE HB H 1 2.000 0.05 . 1 . . . . 22 ILE HB . 17966 1 235 . 1 1 22 22 ILE HG12 H 1 1.900 0.05 . 1 . . . . 22 ILE HG11 . 17966 1 236 . 1 1 22 22 ILE HG13 H 1 1.000 0.05 . 1 . . . . 22 ILE HG12 . 17966 1 237 . 1 1 22 22 ILE HG21 H 1 0.830 0.05 . 1 . . . . 22 ILE HG21 . 17966 1 238 . 1 1 22 22 ILE HG22 H 1 0.830 0.05 . 1 . . . . 22 ILE HG21 . 17966 1 239 . 1 1 22 22 ILE HG23 H 1 0.830 0.05 . 1 . . . . 22 ILE HG21 . 17966 1 240 . 1 1 22 22 ILE HD11 H 1 0.770 0.05 . 1 . . . . 22 ILE HD11 . 17966 1 241 . 1 1 22 22 ILE HD12 H 1 0.770 0.05 . 1 . . . . 22 ILE HD11 . 17966 1 242 . 1 1 22 22 ILE HD13 H 1 0.770 0.05 . 1 . . . . 22 ILE HD11 . 17966 1 243 . 1 1 22 22 ILE CA C 13 65.898 0.3 . 1 . . . . 22 ILE CA . 17966 1 244 . 1 1 22 22 ILE CB C 13 37.193 0.3 . 1 . . . . 22 ILE CB . 17966 1 245 . 1 1 22 22 ILE CG1 C 13 29.277 0.3 . 1 . . . . 22 ILE CG1 . 17966 1 246 . 1 1 22 22 ILE CG2 C 13 17.158 0.3 . 1 . . . . 22 ILE CG2 . 17966 1 247 . 1 1 22 22 ILE CD1 C 13 13.003 0.3 . 1 . . . . 22 ILE CD1 . 17966 1 248 . 1 1 22 22 ILE N N 15 121.433 0.3 . 1 . . . . 22 ILE N . 17966 1 249 . 1 1 23 23 ILE HA H 1 3.546 0.05 . 1 . . . . 23 ILE HA . 17966 1 250 . 1 1 23 23 ILE HB H 1 1.917 0.05 . 1 . . . . 23 ILE HB . 17966 1 251 . 1 1 23 23 ILE HG12 H 1 1.890 0.05 . 1 . . . . 23 ILE HG11 . 17966 1 252 . 1 1 23 23 ILE HG13 H 1 1.010 0.05 . 1 . . . . 23 ILE HG12 . 17966 1 253 . 1 1 23 23 ILE HG21 H 1 0.830 0.05 . 1 . . . . 23 ILE HG21 . 17966 1 254 . 1 1 23 23 ILE HG22 H 1 0.830 0.05 . 1 . . . . 23 ILE HG21 . 17966 1 255 . 1 1 23 23 ILE HG23 H 1 0.830 0.05 . 1 . . . . 23 ILE HG21 . 17966 1 256 . 1 1 23 23 ILE HD11 H 1 0.770 0.05 . 1 . . . . 23 ILE HD11 . 17966 1 257 . 1 1 23 23 ILE HD12 H 1 0.770 0.05 . 1 . . . . 23 ILE HD11 . 17966 1 258 . 1 1 23 23 ILE HD13 H 1 0.770 0.05 . 1 . . . . 23 ILE HD11 . 17966 1 259 . 1 1 23 23 ILE CA C 13 65.684 0.3 . 1 . . . . 23 ILE CA . 17966 1 260 . 1 1 23 23 ILE CB C 13 37.238 0.3 . 1 . . . . 23 ILE CB . 17966 1 261 . 1 1 23 23 ILE CG1 C 13 29.500 0.3 . 1 . . . . 23 ILE CG1 . 17966 1 262 . 1 1 23 23 ILE CG2 C 13 17.310 0.3 . 1 . . . . 23 ILE CG2 . 17966 1 263 . 1 1 23 23 ILE CD1 C 13 13.282 0.3 . 1 . . . . 23 ILE CD1 . 17966 1 264 . 1 1 24 24 SER H H 1 8.150 0.05 . 1 . . . . 24 SER HN . 17966 1 265 . 1 1 24 24 SER HA H 1 3.955 0.05 . 1 . . . . 24 SER HA . 17966 1 266 . 1 1 24 24 SER HB2 H 1 4.066 0.05 . 2 . . . . 24 SER HB1 . 17966 1 267 . 1 1 24 24 SER HB3 H 1 3.581 0.05 . 2 . . . . 24 SER HB2 . 17966 1 268 . 1 1 24 24 SER CA C 13 63.760 0.3 . 1 . . . . 24 SER CA . 17966 1 269 . 1 1 24 24 SER CB C 13 62.836 0.3 . 1 . . . . 24 SER CB . 17966 1 270 . 1 1 24 24 SER N N 15 115.951 0.3 . 1 . . . . 24 SER N . 17966 1 271 . 1 1 25 25 LEU H H 1 8.083 0.05 . 1 . . . . 25 LEU HN . 17966 1 272 . 1 1 25 25 LEU HA H 1 3.945 0.05 . 1 . . . . 25 LEU HA . 17966 1 273 . 1 1 25 25 LEU HB2 H 1 1.818 0.05 . 2 . . . . 25 LEU HB1 . 17966 1 274 . 1 1 25 25 LEU HB3 H 1 1.653 0.05 . 2 . . . . 25 LEU HB2 . 17966 1 275 . 1 1 25 25 LEU HG H 1 1.783 0.05 . 1 . . . . 25 LEU HG . 17966 1 276 . 1 1 25 25 LEU HD11 H 1 0.787 0.05 . 2 . . . . 25 LEU HD11 . 17966 1 277 . 1 1 25 25 LEU HD12 H 1 0.787 0.05 . 2 . . . . 25 LEU HD11 . 17966 1 278 . 1 1 25 25 LEU HD13 H 1 0.787 0.05 . 2 . . . . 25 LEU HD11 . 17966 1 279 . 1 1 25 25 LEU HD21 H 1 0.765 0.05 . 2 . . . . 25 LEU HD21 . 17966 1 280 . 1 1 25 25 LEU HD22 H 1 0.765 0.05 . 2 . . . . 25 LEU HD21 . 17966 1 281 . 1 1 25 25 LEU HD23 H 1 0.765 0.05 . 2 . . . . 25 LEU HD21 . 17966 1 282 . 1 1 25 25 LEU CA C 13 58.100 0.3 . 1 . . . . 25 LEU CA . 17966 1 283 . 1 1 25 25 LEU CB C 13 41.612 0.3 . 1 . . . . 25 LEU CB . 17966 1 284 . 1 1 25 25 LEU CG C 13 26.787 0.3 . 1 . . . . 25 LEU CG . 17966 1 285 . 1 1 25 25 LEU CD1 C 13 25.090 0.3 . 2 . . . . 25 LEU CD1 . 17966 1 286 . 1 1 25 25 LEU CD2 C 13 23.740 0.3 . 2 . . . . 25 LEU CD2 . 17966 1 287 . 1 1 25 25 LEU N N 15 121.215 0.3 . 1 . . . . 25 LEU N . 17966 1 288 . 1 1 26 26 ILE H H 1 8.130 0.05 . 1 . . . . 26 ILE HN . 17966 1 289 . 1 1 26 26 ILE HA H 1 3.500 0.05 . 1 . . . . 26 ILE HA . 17966 1 290 . 1 1 26 26 ILE HB H 1 2.036 0.05 . 1 . . . . 26 ILE HB . 17966 1 291 . 1 1 26 26 ILE HG12 H 1 1.900 0.05 . 1 . . . . 26 ILE HG11 . 17966 1 292 . 1 1 26 26 ILE HG13 H 1 0.917 0.05 . 1 . . . . 26 ILE HG12 . 17966 1 293 . 1 1 26 26 ILE HG21 H 1 0.937 0.05 . 1 . . . . 26 ILE HG21 . 17966 1 294 . 1 1 26 26 ILE HG22 H 1 0.937 0.05 . 1 . . . . 26 ILE HG21 . 17966 1 295 . 1 1 26 26 ILE HG23 H 1 0.937 0.05 . 1 . . . . 26 ILE HG21 . 17966 1 296 . 1 1 26 26 ILE HD11 H 1 0.770 0.05 . 1 . . . . 26 ILE HD11 . 17966 1 297 . 1 1 26 26 ILE HD12 H 1 0.770 0.05 . 1 . . . . 26 ILE HD11 . 17966 1 298 . 1 1 26 26 ILE HD13 H 1 0.770 0.05 . 1 . . . . 26 ILE HD11 . 17966 1 299 . 1 1 26 26 ILE CA C 13 65.651 0.3 . 1 . . . . 26 ILE CA . 17966 1 300 . 1 1 26 26 ILE CB C 13 37.011 0.3 . 1 . . . . 26 ILE CB . 17966 1 301 . 1 1 26 26 ILE CG1 C 13 29.277 0.3 . 1 . . . . 26 ILE CG1 . 17966 1 302 . 1 1 26 26 ILE CG2 C 13 17.509 0.3 . 1 . . . . 26 ILE CG2 . 17966 1 303 . 1 1 26 26 ILE CD1 C 13 13.811 0.3 . 1 . . . . 26 ILE CD1 . 17966 1 304 . 1 1 26 26 ILE N N 15 118.641 0.3 . 1 . . . . 26 ILE N . 17966 1 305 . 1 1 27 27 ILE H H 1 8.238 0.05 . 1 . . . . 27 ILE HN . 17966 1 306 . 1 1 27 27 ILE HA H 1 3.532 0.05 . 1 . . . . 27 ILE HA . 17966 1 307 . 1 1 27 27 ILE HB H 1 2.026 0.05 . 1 . . . . 27 ILE HB . 17966 1 308 . 1 1 27 27 ILE HG12 H 1 1.854 0.05 . 1 . . . . 27 ILE HG11 . 17966 1 309 . 1 1 27 27 ILE HG13 H 1 1.019 0.05 . 1 . . . . 27 ILE HG12 . 17966 1 310 . 1 1 27 27 ILE HG21 H 1 0.835 0.05 . 1 . . . . 27 ILE HG21 . 17966 1 311 . 1 1 27 27 ILE HG22 H 1 0.835 0.05 . 1 . . . . 27 ILE HG21 . 17966 1 312 . 1 1 27 27 ILE HG23 H 1 0.835 0.05 . 1 . . . . 27 ILE HG21 . 17966 1 313 . 1 1 27 27 ILE HD11 H 1 0.774 0.05 . 1 . . . . 27 ILE HD11 . 17966 1 314 . 1 1 27 27 ILE HD12 H 1 0.774 0.05 . 1 . . . . 27 ILE HD11 . 17966 1 315 . 1 1 27 27 ILE HD13 H 1 0.774 0.05 . 1 . . . . 27 ILE HD11 . 17966 1 316 . 1 1 27 27 ILE CA C 13 66.000 0.3 . 1 . . . . 27 ILE CA . 17966 1 317 . 1 1 27 27 ILE CB C 13 37.238 0.3 . 1 . . . . 27 ILE CB . 17966 1 318 . 1 1 27 27 ILE CG1 C 13 29.472 0.3 . 1 . . . . 27 ILE CG1 . 17966 1 319 . 1 1 27 27 ILE CG2 C 13 17.104 0.3 . 1 . . . . 27 ILE CG2 . 17966 1 320 . 1 1 27 27 ILE CD1 C 13 13.365 0.3 . 1 . . . . 27 ILE CD1 . 17966 1 321 . 1 1 27 27 ILE N N 15 119.456 0.3 . 1 . . . . 27 ILE N . 17966 1 322 . 1 1 28 28 LEU H H 1 8.400 0.05 . 1 . . . . 28 LEU HN . 17966 1 323 . 1 1 28 28 LEU HA H 1 3.943 0.05 . 1 . . . . 28 LEU HA . 17966 1 324 . 1 1 28 28 LEU HB2 H 1 1.819 0.05 . 2 . . . . 28 LEU HB1 . 17966 1 325 . 1 1 28 28 LEU HB3 H 1 1.505 0.05 . 2 . . . . 28 LEU HB2 . 17966 1 326 . 1 1 28 28 LEU HD11 H 1 0.787 0.05 . 2 . . . . 28 LEU HD11 . 17966 1 327 . 1 1 28 28 LEU HD12 H 1 0.787 0.05 . 2 . . . . 28 LEU HD11 . 17966 1 328 . 1 1 28 28 LEU HD13 H 1 0.787 0.05 . 2 . . . . 28 LEU HD11 . 17966 1 329 . 1 1 28 28 LEU HD21 H 1 0.765 0.05 . 2 . . . . 28 LEU HD21 . 17966 1 330 . 1 1 28 28 LEU HD22 H 1 0.765 0.05 . 2 . . . . 28 LEU HD21 . 17966 1 331 . 1 1 28 28 LEU HD23 H 1 0.765 0.05 . 2 . . . . 28 LEU HD21 . 17966 1 332 . 1 1 28 28 LEU CA C 13 58.010 0.3 . 1 . . . . 28 LEU CA . 17966 1 333 . 1 1 28 28 LEU CB C 13 41.556 0.3 . 1 . . . . 28 LEU CB . 17966 1 334 . 1 1 28 28 LEU CD1 C 13 25.160 0.3 . 1 . . . . 28 LEU CD1 . 17966 1 335 . 1 1 28 28 LEU CD2 C 13 23.969 0.3 . 1 . . . . 28 LEU CD2 . 17966 1 336 . 1 1 28 28 LEU N N 15 119.173 0.3 . 1 . . . . 28 LEU N . 17966 1 337 . 1 1 29 29 ILE H H 1 8.439 0.05 . 1 . . . . 29 ILE HN . 17966 1 338 . 1 1 29 29 ILE HA H 1 3.762 0.05 . 1 . . . . 29 ILE HA . 17966 1 339 . 1 1 29 29 ILE HB H 1 2.043 0.05 . 1 . . . . 29 ILE HB . 17966 1 340 . 1 1 29 29 ILE HG12 H 1 1.880 0.05 . 1 . . . . 29 ILE HG11 . 17966 1 341 . 1 1 29 29 ILE HG13 H 1 1.010 0.05 . 1 . . . . 29 ILE HG12 . 17966 1 342 . 1 1 29 29 ILE HG21 H 1 0.928 0.05 . 1 . . . . 29 ILE HG21 . 17966 1 343 . 1 1 29 29 ILE HG22 H 1 0.928 0.05 . 1 . . . . 29 ILE HG21 . 17966 1 344 . 1 1 29 29 ILE HG23 H 1 0.928 0.05 . 1 . . . . 29 ILE HG21 . 17966 1 345 . 1 1 29 29 ILE HD11 H 1 0.776 0.05 . 1 . . . . 29 ILE HD11 . 17966 1 346 . 1 1 29 29 ILE HD12 H 1 0.776 0.05 . 1 . . . . 29 ILE HD11 . 17966 1 347 . 1 1 29 29 ILE HD13 H 1 0.776 0.05 . 1 . . . . 29 ILE HD11 . 17966 1 348 . 1 1 29 29 ILE CA C 13 65.137 0.3 . 1 . . . . 29 ILE CA . 17966 1 349 . 1 1 29 29 ILE CB C 13 37.525 0.3 . 1 . . . . 29 ILE CB . 17966 1 350 . 1 1 29 29 ILE CG1 C 13 29.800 0.3 . 1 . . . . 29 ILE CG1 . 17966 1 351 . 1 1 29 29 ILE CG2 C 13 17.680 0.3 . 1 . . . . 29 ILE CG2 . 17966 1 352 . 1 1 29 29 ILE CD1 C 13 13.634 0.3 . 1 . . . . 29 ILE CD1 . 17966 1 353 . 1 1 29 29 ILE N N 15 117.905 0.3 . 1 . . . . 29 ILE N . 17966 1 354 . 1 1 30 30 MET H H 1 8.363 0.05 . 1 . . . . 30 MET HN . 17966 1 355 . 1 1 30 30 MET HA H 1 4.198 0.05 . 1 . . . . 30 MET HA . 17966 1 356 . 1 1 30 30 MET HB2 H 1 2.768 0.05 . 2 . . . . 30 MET HB1 . 17966 1 357 . 1 1 30 30 MET HB3 H 1 2.554 0.05 . 2 . . . . 30 MET HB2 . 17966 1 358 . 1 1 30 30 MET HG2 H 1 2.336 0.05 . 2 . . . . 30 MET HG1 . 17966 1 359 . 1 1 30 30 MET HG3 H 1 2.052 0.05 . 2 . . . . 30 MET HG2 . 17966 1 360 . 1 1 30 30 MET HE1 H 1 2.010 0.05 . 1 . . . . 30 MET HE1 . 17966 1 361 . 1 1 30 30 MET HE2 H 1 2.010 0.05 . 1 . . . . 30 MET HE1 . 17966 1 362 . 1 1 30 30 MET HE3 H 1 2.010 0.05 . 1 . . . . 30 MET HE1 . 17966 1 363 . 1 1 30 30 MET CA C 13 58.809 0.3 . 1 . . . . 30 MET CA . 17966 1 364 . 1 1 30 30 MET CB C 13 32.636 0.3 . 1 . . . . 30 MET CB . 17966 1 365 . 1 1 30 30 MET CG C 13 32.061 0.3 . 1 . . . . 30 MET CG . 17966 1 366 . 1 1 30 30 MET CE C 13 17.164 0.3 . 1 . . . . 30 MET CE . 17966 1 367 . 1 1 30 30 MET N N 15 118.388 0.3 . 1 . . . . 30 MET N . 17966 1 368 . 1 1 31 31 LEU H H 1 8.570 0.05 . 1 . . . . 31 LEU HN . 17966 1 369 . 1 1 31 31 LEU HA H 1 3.954 0.05 . 1 . . . . 31 LEU HA . 17966 1 370 . 1 1 31 31 LEU HB2 H 1 1.997 0.05 . 2 . . . . 31 LEU HB1 . 17966 1 371 . 1 1 31 31 LEU HB3 H 1 1.527 0.05 . 2 . . . . 31 LEU HB2 . 17966 1 372 . 1 1 31 31 LEU HG H 1 1.923 0.05 . 1 . . . . 31 LEU HG . 17966 1 373 . 1 1 31 31 LEU HD11 H 1 0.783 0.05 . 2 . . . . 31 LEU HD11 . 17966 1 374 . 1 1 31 31 LEU HD12 H 1 0.783 0.05 . 2 . . . . 31 LEU HD11 . 17966 1 375 . 1 1 31 31 LEU HD13 H 1 0.783 0.05 . 2 . . . . 31 LEU HD11 . 17966 1 376 . 1 1 31 31 LEU HD21 H 1 0.765 0.05 . 2 . . . . 31 LEU HD21 . 17966 1 377 . 1 1 31 31 LEU HD22 H 1 0.765 0.05 . 2 . . . . 31 LEU HD21 . 17966 1 378 . 1 1 31 31 LEU HD23 H 1 0.765 0.05 . 2 . . . . 31 LEU HD21 . 17966 1 379 . 1 1 31 31 LEU CA C 13 58.010 0.3 . 1 . . . . 31 LEU CA . 17966 1 380 . 1 1 31 31 LEU CB C 13 41.900 0.3 . 1 . . . . 31 LEU CB . 17966 1 381 . 1 1 31 31 LEU CG C 13 26.660 0.3 . 1 . . . . 31 LEU CG . 17966 1 382 . 1 1 31 31 LEU CD1 C 13 24.900 0.3 . 1 . . . . 31 LEU CD1 . 17966 1 383 . 1 1 31 31 LEU CD2 C 13 23.144 0.3 . 1 . . . . 31 LEU CD2 . 17966 1 384 . 1 1 31 31 LEU N N 15 119.261 0.3 . 1 . . . . 31 LEU N . 17966 1 385 . 1 1 32 32 TRP H H 1 8.567 0.05 . 1 . . . . 32 TRP HN . 17966 1 386 . 1 1 32 32 TRP HA H 1 4.446 0.05 . 1 . . . . 32 TRP HA . 17966 1 387 . 1 1 32 32 TRP HB2 H 1 3.430 0.05 . 2 . . . . 32 TRP HB1 . 17966 1 388 . 1 1 32 32 TRP HB3 H 1 3.410 0.05 . 2 . . . . 32 TRP HB2 . 17966 1 389 . 1 1 32 32 TRP HD1 H 1 7.183 0.05 . 1 . . . . 32 TRP HD1 . 17966 1 390 . 1 1 32 32 TRP HE1 H 1 10.481 0.05 . 1 . . . . 32 TRP HE1 . 17966 1 391 . 1 1 32 32 TRP HE3 H 1 7.534 0.05 . 1 . . . . 32 TRP HE3 . 17966 1 392 . 1 1 32 32 TRP HZ2 H 1 7.485 0.05 . 1 . . . . 32 TRP HZ2 . 17966 1 393 . 1 1 32 32 TRP HZ3 H 1 6.946 0.05 . 1 . . . . 32 TRP HZ3 . 17966 1 394 . 1 1 32 32 TRP HH2 H 1 7.098 0.05 . 1 . . . . 32 TRP HH2 . 17966 1 395 . 1 1 32 32 TRP CA C 13 58.809 0.3 . 1 . . . . 32 TRP CA . 17966 1 396 . 1 1 32 32 TRP CB C 13 29.184 0.3 . 1 . . . . 32 TRP CB . 17966 1 397 . 1 1 32 32 TRP CD1 C 13 125.534 0.3 . 1 . . . . 32 TRP CD1 . 17966 1 398 . 1 1 32 32 TRP CE3 C 13 120.070 0.3 . 1 . . . . 32 TRP CE3 . 17966 1 399 . 1 1 32 32 TRP CZ2 C 13 114.605 0.3 . 1 . . . . 32 TRP CZ2 . 17966 1 400 . 1 1 32 32 TRP CZ3 C 13 120.645 0.3 . 1 . . . . 32 TRP CZ3 . 17966 1 401 . 1 1 32 32 TRP CH2 C 13 123.521 0.3 . 1 . . . . 32 TRP CH2 . 17966 1 402 . 1 1 32 32 TRP N N 15 120.616 0.3 . 1 . . . . 32 TRP N . 17966 1 403 . 1 1 32 32 TRP NE1 N 15 134.508 0.3 . 1 . . . . 32 TRP NE1 . 17966 1 404 . 1 1 33 33 GLN H H 1 8.089 0.05 . 1 . . . . 33 GLN HN . 17966 1 405 . 1 1 33 33 GLN HA H 1 4.036 0.05 . 1 . . . . 33 GLN HA . 17966 1 406 . 1 1 33 33 GLN HB2 H 1 2.154 0.05 . 2 . . . . 33 GLN HB1 . 17966 1 407 . 1 1 33 33 GLN HG2 H 1 2.389 0.05 . 2 . . . . 33 GLN HG1 . 17966 1 408 . 1 1 33 33 GLN CA C 13 56.796 0.3 . 1 . . . . 33 GLN CA . 17966 1 409 . 1 1 33 33 GLN CB C 13 28.897 0.3 . 1 . . . . 33 GLN CB . 17966 1 410 . 1 1 33 33 GLN CG C 13 34.362 0.3 . 1 . . . . 33 GLN CG . 17966 1 411 . 1 1 33 33 GLN N N 15 116.279 0.3 . 1 . . . . 33 GLN N . 17966 1 412 . 1 1 34 34 LYS H H 1 7.804 0.05 . 1 . . . . 34 LYS HN . 17966 1 413 . 1 1 34 34 LYS HA H 1 4.197 0.05 . 1 . . . . 34 LYS HA . 17966 1 414 . 1 1 34 34 LYS HB2 H 1 1.716 0.05 . 2 . . . . 34 LYS HB1 . 17966 1 415 . 1 1 34 34 LYS HG2 H 1 1.465 0.05 . 2 . . . . 34 LYS HG1 . 17966 1 416 . 1 1 34 34 LYS HD2 H 1 1.657 0.05 . 2 . . . . 34 LYS HD1 . 17966 1 417 . 1 1 34 34 LYS HE2 H 1 2.879 0.05 . 2 . . . . 34 LYS HE1 . 17966 1 418 . 1 1 34 34 LYS CA C 13 56.180 0.3 . 1 . . . . 34 LYS CA . 17966 1 419 . 1 1 34 34 LYS CB C 13 32.696 0.3 . 1 . . . . 34 LYS CB . 17966 1 420 . 1 1 34 34 LYS CG C 13 24.643 0.3 . 1 . . . . 34 LYS CG . 17966 1 421 . 1 1 34 34 LYS CD C 13 28.938 0.3 . 1 . . . . 34 LYS CD . 17966 1 422 . 1 1 34 34 LYS CE C 13 41.612 0.3 . 1 . . . . 34 LYS CE . 17966 1 423 . 1 1 34 34 LYS N N 15 119.059 0.3 . 1 . . . . 34 LYS N . 17966 1 424 . 1 1 35 35 LYS H H 1 7.929 0.05 . 1 . . . . 35 LYS HN . 17966 1 425 . 1 1 35 35 LYS HA H 1 4.433 0.05 . 1 . . . . 35 LYS HA . 17966 1 426 . 1 1 35 35 LYS HB2 H 1 1.728 0.05 . 2 . . . . 35 LYS HB1 . 17966 1 427 . 1 1 35 35 LYS HG2 H 1 1.399 0.05 . 2 . . . . 35 LYS HG1 . 17966 1 428 . 1 1 35 35 LYS HD2 H 1 1.738 0.05 . 2 . . . . 35 LYS HD1 . 17966 1 429 . 1 1 35 35 LYS HE2 H 1 2.866 0.05 . 2 . . . . 35 LYS HE1 . 17966 1 430 . 1 1 35 35 LYS CA C 13 54.555 0.3 . 1 . . . . 35 LYS CA . 17966 1 431 . 1 1 35 35 LYS CB C 13 32.408 0.3 . 1 . . . . 35 LYS CB . 17966 1 432 . 1 1 35 35 LYS CG C 13 24.067 0.3 . 1 . . . . 35 LYS CG . 17966 1 433 . 1 1 35 35 LYS CE C 13 41.610 0.3 . 1 . . . . 35 LYS CE . 17966 1 434 . 1 1 35 35 LYS N N 15 122.377 0.3 . 1 . . . . 35 LYS N . 17966 1 435 . 1 1 36 36 PRO HA H 1 4.307 0.05 . 1 . . . . 36 PRO HA . 17966 1 436 . 1 1 36 36 PRO HB2 H 1 2.044 0.05 . 2 . . . . 36 PRO HB1 . 17966 1 437 . 1 1 36 36 PRO HB3 H 1 1.686 0.05 . 2 . . . . 36 PRO HB2 . 17966 1 438 . 1 1 36 36 PRO HG2 H 1 1.934 0.05 . 2 . . . . 36 PRO HG1 . 17966 1 439 . 1 1 36 36 PRO HD2 H 1 3.765 0.05 . 2 . . . . 36 PRO HD1 . 17966 1 440 . 1 1 36 36 PRO HD3 H 1 3.561 0.05 . 2 . . . . 36 PRO HD2 . 17966 1 441 . 1 1 36 36 PRO CA C 13 62.836 0.3 . 1 . . . . 36 PRO CA . 17966 1 442 . 1 1 36 36 PRO CB C 13 31.773 0.3 . 1 . . . . 36 PRO CB . 17966 1 443 . 1 1 36 36 PRO CG C 13 27.459 0.3 . 1 . . . . 36 PRO CG . 17966 1 444 . 1 1 36 36 PRO CD C 13 50.181 0.3 . 1 . . . . 36 PRO CD . 17966 1 445 . 1 1 37 37 ARG H H 1 8.128 0.05 . 1 . . . . 37 ARG HN . 17966 1 446 . 1 1 37 37 ARG HA H 1 4.235 0.05 . 1 . . . . 37 ARG HA . 17966 1 447 . 1 1 37 37 ARG HB2 H 1 1.696 0.05 . 2 . . . . 37 ARG HB1 . 17966 1 448 . 1 1 37 37 ARG HG2 H 1 1.506 0.05 . 2 . . . . 37 ARG HG1 . 17966 1 449 . 1 1 37 37 ARG HD2 H 1 3.120 0.05 . 2 . . . . 37 ARG HD1 . 17966 1 450 . 1 1 37 37 ARG CA C 13 55.358 0.3 . 1 . . . . 37 ARG CA . 17966 1 451 . 1 1 37 37 ARG CB C 13 30.910 0.3 . 1 . . . . 37 ARG CB . 17966 1 452 . 1 1 37 37 ARG CG C 13 27.035 0.3 . 1 . . . . 37 ARG CG . 17966 1 453 . 1 1 37 37 ARG CD C 13 42.990 0.3 . 1 . . . . 37 ARG CD . 17966 1 454 . 1 1 37 37 ARG N N 15 120.373 0.3 . 1 . . . . 37 ARG N . 17966 1 455 . 1 1 38 38 TYR H H 1 8.161 0.05 . 1 . . . . 38 TYR HN . 17966 1 456 . 1 1 38 38 TYR HA H 1 4.562 0.05 . 1 . . . . 38 TYR HA . 17966 1 457 . 1 1 38 38 TYR HB2 H 1 3.092 0.05 . 2 . . . . 38 TYR HB1 . 17966 1 458 . 1 1 38 38 TYR HB3 H 1 2.851 0.05 . 2 . . . . 38 TYR HB2 . 17966 1 459 . 1 1 38 38 TYR HD1 H 1 7.099 0.05 . 3 . . . . 38 TYR HD1 . 17966 1 460 . 1 1 38 38 TYR HE1 H 1 6.790 0.05 . 3 . . . . 38 TYR HE1 . 17966 1 461 . 1 1 38 38 TYR CA C 13 57.371 0.3 . 1 . . . . 38 TYR CA . 17966 1 462 . 1 1 38 38 TYR CB C 13 38.676 0.3 . 1 . . . . 38 TYR CB . 17966 1 463 . 1 1 38 38 TYR CD1 C 13 133.013 0.3 . 3 . . . . 38 TYR CD1 . 17966 1 464 . 1 1 38 38 TYR CE1 C 13 117.769 0.3 . 3 . . . . 38 TYR CE1 . 17966 1 465 . 1 1 38 38 TYR N N 15 121.508 0.3 . 1 . . . . 38 TYR N . 17966 1 466 . 1 1 39 39 GLU H H 1 7.757 0.05 . 1 . . . . 39 GLU HN . 17966 1 467 . 1 1 39 39 GLU HA H 1 4.082 0.05 . 1 . . . . 39 GLU HA . 17966 1 468 . 1 1 39 39 GLU HB2 H 1 1.994 0.05 . 2 . . . . 39 GLU HB1 . 17966 1 469 . 1 1 39 39 GLU HB3 H 1 1.847 0.05 . 2 . . . . 39 GLU HB2 . 17966 1 470 . 1 1 39 39 GLU HG2 H 1 2.098 0.05 . 2 . . . . 39 GLU HG1 . 17966 1 471 . 1 1 39 39 GLU HG3 H 1 1.984 0.05 . 2 . . . . 39 GLU HG2 . 17966 1 472 . 1 1 39 39 GLU CA C 13 57.371 0.3 . 1 . . . . 39 GLU CA . 17966 1 473 . 1 1 39 39 GLU CB C 13 31.485 0.3 . 1 . . . . 39 GLU CB . 17966 1 474 . 1 1 39 39 GLU CG C 13 36.435 0.3 . 1 . . . . 39 GLU CG . 17966 1 475 . 1 1 39 39 GLU N N 15 126.488 0.3 . 1 . . . . 39 GLU N . 17966 1 stop_ save_