data_11583 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11583 _Entry.Title ; Solution structure of rat P2X4 receptor head domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-12 _Entry.Accession_date 2014-11-12 _Entry.Last_release_date 2015-01-27 _Entry.Original_release_date 2015-01-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Yoshito Abe . . . 11583 2 Tatsuhiro Igawa . . . 11583 3 Makoto Tsuda . . . 11583 4 Kazuhide Inoue . . . 11583 5 Tadashi Ueda . . . 11583 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' . 11583 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'P2X4 receptor' . 11583 'head domain' . 11583 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11583 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 353 11583 '13C chemical shifts' 227 11583 '15N chemical shifts' 56 11583 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 . . 2015-01-27 2014-11-11 original author . 11583 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RUP 'BMRB Entry Tracking System' 11583 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11583 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of rat P2X4 receptor head domain involved in inhibitory metal binding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tatsuhiro Igawa . . . 11583 1 2 Yoshito Abe . . . 11583 1 3 Makoto Tsuda . . . 11583 1 4 Kazuhide Inoue . . . 11583 1 5 Tadashi Ueda . . . 11583 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11583 _Assembly.ID 1 _Assembly.Name 'P2XHD monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 7006 _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 'P2XHD monomer' 1 $P2XHD A . yes native no no . . . 11583 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 56 56 SG . . 116 CYS . . . 165 CYS . 11583 1 2 disulfide single . 1 . 1 CYS 17 17 SG . 1 . 1 CYS 40 40 SG . . 126 CYS . . . 149 CYS . 11583 1 3 disulfide single . 1 . 1 CYS 23 23 SG . 1 . 1 CYS 50 50 SG . . 132 CYS . . . 159 CYS . 11583 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 7 7 HG . 116 . . 11583 1 2 . 1 1 CYS 17 17 HG . 126 . . 11583 1 3 . 1 1 CYS 23 23 HG . 132 . . 11583 1 4 . 1 1 CYS 40 40 HG . 149 . . 11583 1 5 . 1 1 CYS 50 50 HG . 159 . . 11583 1 6 . 1 1 CYS 56 56 HG . 165 . . 11583 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P2XHD _Entity.Sf_category entity _Entity.Sf_framecode P2XHD _Entity.Entry_ID 11583 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name P2XHD _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 ; MQTQSTCPEIPDKTSICNSD ADCTPGSVDTHSSGVATGRC VPFNESVKTCEVAAWCPV ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6066.745 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RUP . "Solution Structure Of Rat P2x4 Receptor Head Domain" . . . . . 100.00 58 100.00 100.00 1.02e-32 . . . . 11583 1 2 no EMBL CAA61037 . "P2X receptor [Rattus norvegicus]" . . . . . 98.28 388 100.00 100.00 3.28e-31 . . . . 11583 1 3 no EMBL CAA62607 . "ligand gated ATP receptor [Rattus norvegicus]" . . . . . 98.28 388 100.00 100.00 3.15e-31 . . . . 11583 1 4 no EMBL CAA63778 . "P2X receptor [Rattus norvegicus]" . . . . . 98.28 388 100.00 100.00 3.31e-31 . . . . 11583 1 5 no GB AAA99777 . "P2x4 [Rattus norvegicus]" . . . . . 98.28 388 100.00 100.00 3.31e-31 . . . . 11583 1 6 no GB AAH78792 . "Purinergic receptor P2X, ligand-gated ion channel 4 [Rattus norvegicus]" . . . . . 98.28 388 100.00 100.00 3.31e-31 . . . . 11583 1 7 no GB EDM13668 . "purinergic receptor P2X, ligand-gated ion channel 4, isoform CRA_a [Rattus norvegicus]" . . . . . 98.28 388 100.00 100.00 3.31e-31 . . . . 11583 1 8 no GB EDM13669 . "purinergic receptor P2X, ligand-gated ion channel 4, isoform CRA_b [Rattus norvegicus]" . . . . . 98.28 287 100.00 100.00 1.51e-31 . . . . 11583 1 9 no GB EDM13670 . "purinergic receptor P2X, ligand-gated ion channel 4, isoform CRA_c [Rattus norvegicus]" . . . . . 98.28 361 100.00 100.00 3.00e-31 . . . . 11583 1 10 no PRF 2124312A . "purinoceptor P2X4" . . . . . 98.28 388 100.00 100.00 3.15e-31 . . . . 11583 1 11 no REF NP_113782 . "P2X purinoceptor 4 [Rattus norvegicus]" . . . . . 98.28 388 100.00 100.00 3.28e-31 . . . . 11583 1 12 no SP P51577 . "RecName: Full=P2X purinoceptor 4; Short=P2X4; AltName: Full=ATP receptor; AltName: Full=Purinergic receptor" . . . . . 98.28 388 100.00 100.00 3.31e-31 . . . . 11583 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 1 110 MET . 11583 1 2 111 GLN . 11583 1 3 112 THR . 11583 1 4 113 GLN . 11583 1 5 114 SER . 11583 1 6 115 THR . 11583 1 7 116 CYS . 11583 1 8 117 PRO . 11583 1 9 118 GLU . 11583 1 10 119 ILE . 11583 1 11 120 PRO . 11583 1 12 121 ASP . 11583 1 13 122 LYS . 11583 1 14 123 THR . 11583 1 15 124 SER . 11583 1 16 125 ILE . 11583 1 17 126 CYS . 11583 1 18 127 ASN . 11583 1 19 128 SER . 11583 1 20 129 ASP . 11583 1 21 130 ALA . 11583 1 22 131 ASP . 11583 1 23 132 CYS . 11583 1 24 133 THR . 11583 1 25 134 PRO . 11583 1 26 135 GLY . 11583 1 27 136 SER . 11583 1 28 137 VAL . 11583 1 29 138 ASP . 11583 1 30 139 THR . 11583 1 31 140 HIS . 11583 1 32 141 SER . 11583 1 33 142 SER . 11583 1 34 143 GLY . 11583 1 35 144 VAL . 11583 1 36 145 ALA . 11583 1 37 146 THR . 11583 1 38 147 GLY . 11583 1 39 148 ARG . 11583 1 40 149 CYS . 11583 1 41 150 VAL . 11583 1 42 151 PRO . 11583 1 43 152 PHE . 11583 1 44 153 ASN . 11583 1 45 154 GLU . 11583 1 46 155 SER . 11583 1 47 156 VAL . 11583 1 48 157 LYS . 11583 1 49 158 THR . 11583 1 50 159 CYS . 11583 1 51 160 GLU . 11583 1 52 161 VAL . 11583 1 53 162 ALA . 11583 1 54 163 ALA . 11583 1 55 164 TRP . 11583 1 56 165 CYS . 11583 1 57 166 PRO . 11583 1 58 167 VAL . 11583 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 11583 1 . GLN 2 2 11583 1 . THR 3 3 11583 1 . GLN 4 4 11583 1 . SER 5 5 11583 1 . THR 6 6 11583 1 . CYS 7 7 11583 1 . PRO 8 8 11583 1 . GLU 9 9 11583 1 . ILE 10 10 11583 1 . PRO 11 11 11583 1 . ASP 12 12 11583 1 . LYS 13 13 11583 1 . THR 14 14 11583 1 . SER 15 15 11583 1 . ILE 16 16 11583 1 . CYS 17 17 11583 1 . ASN 18 18 11583 1 . SER 19 19 11583 1 . ASP 20 20 11583 1 . ALA 21 21 11583 1 . ASP 22 22 11583 1 . CYS 23 23 11583 1 . THR 24 24 11583 1 . PRO 25 25 11583 1 . GLY 26 26 11583 1 . SER 27 27 11583 1 . VAL 28 28 11583 1 . ASP 29 29 11583 1 . THR 30 30 11583 1 . HIS 31 31 11583 1 . SER 32 32 11583 1 . SER 33 33 11583 1 . GLY 34 34 11583 1 . VAL 35 35 11583 1 . ALA 36 36 11583 1 . THR 37 37 11583 1 . GLY 38 38 11583 1 . ARG 39 39 11583 1 . CYS 40 40 11583 1 . VAL 41 41 11583 1 . PRO 42 42 11583 1 . PHE 43 43 11583 1 . ASN 44 44 11583 1 . GLU 45 45 11583 1 . SER 46 46 11583 1 . VAL 47 47 11583 1 . LYS 48 48 11583 1 . THR 49 49 11583 1 . CYS 50 50 11583 1 . GLU 51 51 11583 1 . VAL 52 52 11583 1 . ALA 53 53 11583 1 . ALA 54 54 11583 1 . TRP 55 55 11583 1 . CYS 56 56 11583 1 . PRO 57 57 11583 1 . VAL 58 58 11583 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 11583 _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 $P2XHD . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 11583 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 11583 _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 $P2XHD . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pET-22b(+) . . . . . . 11583 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11583 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $P2XHD . protein 0.5 . . mM 0.2 . . . 11583 1 2 Urea 'natural abundance' . . . . . . 50 . . mM . . . . 11583 1 3 'sodium acetate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 11583 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11583 1 5 D2O '[U-100% 2H]' . . . . . solvent 10 . . % . . . . 11583 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11583 _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 temperature 297 . K 11583 1 pH 5.0 . pH 11583 1 pressure 1 . atm 11583 1 'ionic strength' 0 . mM 11583 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11583 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 11583 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11583 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11583 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11583 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11583 2 stop_ save_ save_Olivia _Software.Sf_category software _Software.Sf_framecode Olivia _Software.Entry_ID 11583 _Software.ID 3 _Software.Name Olivia _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hokkaido University' . . 11583 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11583 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 11583 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11583 _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 Varian INOVA . 600 . . . 11583 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 11583 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 14 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11583 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 11583 _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 . . . . . . . . . 11583 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11583 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11583 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 11583 _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 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11583 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 11583 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 11583 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 MET HA H 1 4.419 0.025 . 1 . . . A 110 MET HA . 11583 1 2 . 1 1 1 1 MET HB2 H 1 2.045 0.024 . 2 . . . A 110 MET HB2 . 11583 1 3 . 1 1 1 1 MET HB3 H 1 2.045 0.024 . 2 . . . A 110 MET HB3 . 11583 1 4 . 1 1 1 1 MET HG2 H 1 2.482 0.02 . 2 . . . A 110 MET HG2 . 11583 1 5 . 1 1 1 1 MET HG3 H 1 2.482 0.02 . 2 . . . A 110 MET HG3 . 11583 1 6 . 1 1 1 1 MET HE1 H 1 2.065 0.02 . 1 . . . A 110 MET HE1 . 11583 1 7 . 1 1 1 1 MET HE2 H 1 2.065 0.02 . 1 . . . A 110 MET HE2 . 11583 1 8 . 1 1 1 1 MET HE3 H 1 2.065 0.02 . 1 . . . A 110 MET HE3 . 11583 1 9 . 1 1 1 1 MET C C 13 175.947 0.1 . 1 . . . A 110 MET C . 11583 1 10 . 1 1 1 1 MET CA C 13 55.919 0.269 . 1 . . . A 110 MET CA . 11583 1 11 . 1 1 1 1 MET CB C 13 31.989 0.106 . 1 . . . A 110 MET CB . 11583 1 12 . 1 1 1 1 MET CG C 13 32.163 0.1 . 1 . . . A 110 MET CG . 11583 1 13 . 1 1 1 1 MET CE C 13 16.967 0.1 . 1 . . . A 110 MET CE . 11583 1 14 . 1 1 2 2 GLN H H 1 8.195 0.004 . 1 . . . A 111 GLN H . 11583 1 15 . 1 1 2 2 GLN HA H 1 5.076 0.012 . 1 . . . A 111 GLN HA . 11583 1 16 . 1 1 2 2 GLN HB2 H 1 2.073 0.009 . 2 . . . A 111 GLN HB2 . 11583 1 17 . 1 1 2 2 GLN HB3 H 1 2.073 0.009 . 2 . . . A 111 GLN HB3 . 11583 1 18 . 1 1 2 2 GLN HG2 H 1 2.27 0.006 . 2 . . . A 111 GLN HG2 . 11583 1 19 . 1 1 2 2 GLN HG3 H 1 2.27 0.006 . 2 . . . A 111 GLN HG3 . 11583 1 20 . 1 1 2 2 GLN HE21 H 1 6.772 0.02 . 1 . . . A 111 GLN HE21 . 11583 1 21 . 1 1 2 2 GLN HE22 H 1 7.799 0.003 . 1 . . . A 111 GLN HE22 . 11583 1 22 . 1 1 2 2 GLN C C 13 175.627 0.062 . 1 . . . A 111 GLN C . 11583 1 23 . 1 1 2 2 GLN CA C 13 55.262 0.078 . 1 . . . A 111 GLN CA . 11583 1 24 . 1 1 2 2 GLN CB C 13 34.098 0.186 . 1 . . . A 111 GLN CB . 11583 1 25 . 1 1 2 2 GLN CG C 13 34.506 0.218 . 1 . . . A 111 GLN CG . 11583 1 26 . 1 1 2 2 GLN N N 15 119.686 0.062 . 1 . . . A 111 GLN N . 11583 1 27 . 1 1 2 2 GLN NE2 N 15 114.661 0.2 . 1 . . . A 111 GLN NE2 . 11583 1 28 . 1 1 3 3 THR H H 1 8.82 0.005 . 1 . . . A 112 THR H . 11583 1 29 . 1 1 3 3 THR HA H 1 4.713 0.004 . 1 . . . A 112 THR HA . 11583 1 30 . 1 1 3 3 THR HB H 1 4.055 0.011 . 1 . . . A 112 THR HB . 11583 1 31 . 1 1 3 3 THR HG21 H 1 1.201 0.02 . 1 . . . A 112 THR HG21 . 11583 1 32 . 1 1 3 3 THR HG22 H 1 1.201 0.02 . 1 . . . A 112 THR HG22 . 11583 1 33 . 1 1 3 3 THR HG23 H 1 1.201 0.02 . 1 . . . A 112 THR HG23 . 11583 1 34 . 1 1 3 3 THR C C 13 173.448 0.1 . 1 . . . A 112 THR C . 11583 1 35 . 1 1 3 3 THR CA C 13 60.4 0.111 . 1 . . . A 112 THR CA . 11583 1 36 . 1 1 3 3 THR CB C 13 71.947 0.026 . 1 . . . A 112 THR CB . 11583 1 37 . 1 1 3 3 THR CG2 C 13 21.351 0.601 . 1 . . . A 112 THR CG2 . 11583 1 38 . 1 1 3 3 THR N N 15 112.042 0.2 . 1 . . . A 112 THR N . 11583 1 39 . 1 1 4 4 GLN H H 1 8.423 0.003 . 1 . . . A 113 GLN H . 11583 1 40 . 1 1 4 4 GLN HA H 1 3.871 0.013 . 1 . . . A 113 GLN HA . 11583 1 41 . 1 1 4 4 GLN HB2 H 1 1.543 0.035 . 1 . . . A 113 GLN HB2 . 11583 1 42 . 1 1 4 4 GLN HB3 H 1 1.185 0.027 . 1 . . . A 113 GLN HB3 . 11583 1 43 . 1 1 4 4 GLN HG2 H 1 0.856 0.017 . 2 . . . A 113 GLN HG2 . 11583 1 44 . 1 1 4 4 GLN HG3 H 1 0.856 0.017 . 2 . . . A 113 GLN HG3 . 11583 1 45 . 1 1 4 4 GLN C C 13 174.758 0.1 . 1 . . . A 113 GLN C . 11583 1 46 . 1 1 4 4 GLN CA C 13 56.599 0.032 . 1 . . . A 113 GLN CA . 11583 1 47 . 1 1 4 4 GLN CB C 13 27.613 0.425 . 1 . . . A 113 GLN CB . 11583 1 48 . 1 1 4 4 GLN CG C 13 33.162 0.078 . 1 . . . A 113 GLN CG . 11583 1 49 . 1 1 4 4 GLN N N 15 124.465 0.2 . 1 . . . A 113 GLN N . 11583 1 50 . 1 1 5 5 SER H H 1 8.271 0.003 . 1 . . . A 114 SER H . 11583 1 51 . 1 1 5 5 SER HA H 1 4.566 0.028 . 1 . . . A 114 SER HA . 11583 1 52 . 1 1 5 5 SER HB2 H 1 3.884 0.02 . 2 . . . A 114 SER HB2 . 11583 1 53 . 1 1 5 5 SER HB3 H 1 3.884 0.02 . 2 . . . A 114 SER HB3 . 11583 1 54 . 1 1 5 5 SER C C 13 173.929 0.1 . 1 . . . A 114 SER C . 11583 1 55 . 1 1 5 5 SER CA C 13 56.45 0.1 . 1 . . . A 114 SER CA . 11583 1 56 . 1 1 5 5 SER CB C 13 63.021 0.405 . 1 . . . A 114 SER CB . 11583 1 57 . 1 1 5 5 SER N N 15 122.463 0.2 . 1 . . . A 114 SER N . 11583 1 58 . 1 1 6 6 THR H H 1 8.33 0.006 . 1 . . . A 115 THR H . 11583 1 59 . 1 1 6 6 THR HA H 1 5.903 0.009 . 1 . . . A 115 THR HA . 11583 1 60 . 1 1 6 6 THR HB H 1 3.922 0.018 . 1 . . . A 115 THR HB . 11583 1 61 . 1 1 6 6 THR HG21 H 1 1.029 0.001 . 1 . . . A 115 THR HG21 . 11583 1 62 . 1 1 6 6 THR HG22 H 1 1.029 0.001 . 1 . . . A 115 THR HG22 . 11583 1 63 . 1 1 6 6 THR HG23 H 1 1.029 0.001 . 1 . . . A 115 THR HG23 . 11583 1 64 . 1 1 6 6 THR C C 13 174.927 0.039 . 1 . . . A 115 THR C . 11583 1 65 . 1 1 6 6 THR CA C 13 58.895 0.199 . 1 . . . A 115 THR CA . 11583 1 66 . 1 1 6 6 THR CB C 13 70.799 0.11 . 1 . . . A 115 THR CB . 11583 1 67 . 1 1 6 6 THR CG2 C 13 21.909 0.1 . 1 . . . A 115 THR CG2 . 11583 1 68 . 1 1 6 6 THR N N 15 110.702 0.039 . 1 . . . A 115 THR N . 11583 1 69 . 1 1 7 7 CYS H H 1 9.254 0.008 . 1 . . . A 116 CYS H . 11583 1 70 . 1 1 7 7 CYS HA H 1 5.349 0.017 . 1 . . . A 116 CYS HA . 11583 1 71 . 1 1 7 7 CYS HB2 H 1 3.612 0.013 . 1 . . . A 116 CYS HB2 . 11583 1 72 . 1 1 7 7 CYS HB3 H 1 3.491 0.009 . 1 . . . A 116 CYS HB3 . 11583 1 73 . 1 1 7 7 CYS CA C 13 53.895 0.194 . 1 . . . A 116 CYS CA . 11583 1 74 . 1 1 7 7 CYS CB C 13 38.383 0.184 . 1 . . . A 116 CYS CB . 11583 1 75 . 1 1 7 7 CYS N N 15 114.435 0.2 . 1 . . . A 116 CYS N . 11583 1 76 . 1 1 8 8 PRO HB2 H 1 1.865 0.032 . 2 . . . A 117 PRO HB2 . 11583 1 77 . 1 1 8 8 PRO HB3 H 1 1.865 0.032 . 2 . . . A 117 PRO HB3 . 11583 1 78 . 1 1 8 8 PRO HG2 H 1 2.189 0.046 . 1 . . . A 117 PRO HG2 . 11583 1 79 . 1 1 8 8 PRO HG3 H 1 2.003 0.02 . 1 . . . A 117 PRO HG3 . 11583 1 80 . 1 1 8 8 PRO HD2 H 1 4.168 0.026 . 1 . . . A 117 PRO HD2 . 11583 1 81 . 1 1 8 8 PRO HD3 H 1 3.865 0.02 . 1 . . . A 117 PRO HD3 . 11583 1 82 . 1 1 8 8 PRO C C 13 176.181 0.1 . 1 . . . A 117 PRO C . 11583 1 83 . 1 1 8 8 PRO CA C 13 62.765 0.026 . 1 . . . A 117 PRO CA . 11583 1 84 . 1 1 8 8 PRO CB C 13 32.343 0.139 . 1 . . . A 117 PRO CB . 11583 1 85 . 1 1 8 8 PRO CG C 13 27.897 0.212 . 1 . . . A 117 PRO CG . 11583 1 86 . 1 1 8 8 PRO CD C 13 51.585 0.112 . 1 . . . A 117 PRO CD . 11583 1 87 . 1 1 9 9 GLU H H 1 7.453 0.003 . 1 . . . A 118 GLU H . 11583 1 88 . 1 1 9 9 GLU HA H 1 4.056 0.022 . 1 . . . A 118 GLU HA . 11583 1 89 . 1 1 9 9 GLU HB2 H 1 2.411 0.037 . 2 . . . A 118 GLU HB2 . 11583 1 90 . 1 1 9 9 GLU HB3 H 1 2.411 0.037 . 2 . . . A 118 GLU HB3 . 11583 1 91 . 1 1 9 9 GLU HG2 H 1 2.919 0.016 . 2 . . . A 118 GLU HG2 . 11583 1 92 . 1 1 9 9 GLU HG3 H 1 2.919 0.016 . 2 . . . A 118 GLU HG3 . 11583 1 93 . 1 1 9 9 GLU C C 13 176.662 0.045 . 1 . . . A 118 GLU C . 11583 1 94 . 1 1 9 9 GLU CA C 13 55.973 0.047 . 1 . . . A 118 GLU CA . 11583 1 95 . 1 1 9 9 GLU CB C 13 30.911 0.216 . 1 . . . A 118 GLU CB . 11583 1 96 . 1 1 9 9 GLU CG C 13 34.94 0.396 . 1 . . . A 118 GLU CG . 11583 1 97 . 1 1 9 9 GLU N N 15 119.592 0.045 . 1 . . . A 118 GLU N . 11583 1 98 . 1 1 10 10 ILE H H 1 7.884 0.008 . 1 . . . A 119 ILE H . 11583 1 99 . 1 1 10 10 ILE HA H 1 3.661 0.02 . 1 . . . A 119 ILE HA . 11583 1 100 . 1 1 10 10 ILE HB H 1 1.517 0.017 . 1 . . . A 119 ILE HB . 11583 1 101 . 1 1 10 10 ILE HG12 H 1 1.375 0.014 . 1 . . . A 119 ILE HG12 . 11583 1 102 . 1 1 10 10 ILE HG13 H 1 1.239 0.003 . 1 . . . A 119 ILE HG13 . 11583 1 103 . 1 1 10 10 ILE HG21 H 1 0.758 0.018 . 1 . . . A 119 ILE HG21 . 11583 1 104 . 1 1 10 10 ILE HG22 H 1 0.758 0.018 . 1 . . . A 119 ILE HG22 . 11583 1 105 . 1 1 10 10 ILE HG23 H 1 0.758 0.018 . 1 . . . A 119 ILE HG23 . 11583 1 106 . 1 1 10 10 ILE HD11 H 1 0.758 0.003 . 1 . . . A 119 ILE HD11 . 11583 1 107 . 1 1 10 10 ILE HD12 H 1 0.758 0.003 . 1 . . . A 119 ILE HD12 . 11583 1 108 . 1 1 10 10 ILE HD13 H 1 0.758 0.003 . 1 . . . A 119 ILE HD13 . 11583 1 109 . 1 1 10 10 ILE CA C 13 59.07 0.213 . 1 . . . A 119 ILE CA . 11583 1 110 . 1 1 10 10 ILE CB C 13 37.662 0.343 . 1 . . . A 119 ILE CB . 11583 1 111 . 1 1 10 10 ILE CG1 C 13 27.905 0.133 . 1 . . . A 119 ILE CG1 . 11583 1 112 . 1 1 10 10 ILE CG2 C 13 16.98 0.115 . 1 . . . A 119 ILE CG2 . 11583 1 113 . 1 1 10 10 ILE CD1 C 13 12.389 0.702 . 1 . . . A 119 ILE CD1 . 11583 1 114 . 1 1 10 10 ILE N N 15 118.822 0.2 . 1 . . . A 119 ILE N . 11583 1 115 . 1 1 11 11 PRO HA H 1 3.861 0.029 . 1 . . . A 120 PRO HA . 11583 1 116 . 1 1 11 11 PRO HB2 H 1 1.608 0.011 . 2 . . . A 120 PRO HB2 . 11583 1 117 . 1 1 11 11 PRO HB3 H 1 1.608 0.011 . 2 . . . A 120 PRO HB3 . 11583 1 118 . 1 1 11 11 PRO HG2 H 1 1.088 0.021 . 1 . . . A 120 PRO HG2 . 11583 1 119 . 1 1 11 11 PRO HG3 H 1 1.619 0.005 . 1 . . . A 120 PRO HG3 . 11583 1 120 . 1 1 11 11 PRO HD2 H 1 2.739 0.01 . 1 . . . A 120 PRO HD2 . 11583 1 121 . 1 1 11 11 PRO HD3 H 1 1.759 0.013 . 1 . . . A 120 PRO HD3 . 11583 1 122 . 1 1 11 11 PRO C C 13 174.506 0.1 . 1 . . . A 120 PRO C . 11583 1 123 . 1 1 11 11 PRO CA C 13 64.399 0.02 . 1 . . . A 120 PRO CA . 11583 1 124 . 1 1 11 11 PRO CB C 13 31.486 0.171 . 1 . . . A 120 PRO CB . 11583 1 125 . 1 1 11 11 PRO CG C 13 28.031 0.083 . 1 . . . A 120 PRO CG . 11583 1 126 . 1 1 11 11 PRO CD C 13 50.171 0.319 . 1 . . . A 120 PRO CD . 11583 1 127 . 1 1 12 12 ASP H H 1 8.125 0.003 . 1 . . . A 121 ASP H . 11583 1 128 . 1 1 12 12 ASP HA H 1 4.505 0.027 . 1 . . . A 121 ASP HA . 11583 1 129 . 1 1 12 12 ASP HB2 H 1 2.921 0.004 . 1 . . . A 121 ASP HB2 . 11583 1 130 . 1 1 12 12 ASP HB3 H 1 2.706 0.02 . 1 . . . A 121 ASP HB3 . 11583 1 131 . 1 1 12 12 ASP C C 13 175.483 0.007 . 1 . . . A 121 ASP C . 11583 1 132 . 1 1 12 12 ASP CA C 13 53.286 0.039 . 1 . . . A 121 ASP CA . 11583 1 133 . 1 1 12 12 ASP CB C 13 42.194 0.282 . 1 . . . A 121 ASP CB . 11583 1 134 . 1 1 12 12 ASP N N 15 124.268 0.007 . 1 . . . A 121 ASP N . 11583 1 135 . 1 1 13 13 LYS H H 1 8.652 0.004 . 1 . . . A 122 LYS H . 11583 1 136 . 1 1 13 13 LYS HA H 1 4.095 0.02 . 1 . . . A 122 LYS HA . 11583 1 137 . 1 1 13 13 LYS HB2 H 1 1.927 0.022 . 2 . . . A 122 LYS HB2 . 11583 1 138 . 1 1 13 13 LYS HB3 H 1 1.927 0.022 . 2 . . . A 122 LYS HB3 . 11583 1 139 . 1 1 13 13 LYS HG2 H 1 1.49 0.013 . 2 . . . A 122 LYS HG2 . 11583 1 140 . 1 1 13 13 LYS HG3 H 1 1.49 0.013 . 2 . . . A 122 LYS HG3 . 11583 1 141 . 1 1 13 13 LYS HD2 H 1 1.691 0.015 . 2 . . . A 122 LYS HD2 . 11583 1 142 . 1 1 13 13 LYS HD3 H 1 1.691 0.015 . 2 . . . A 122 LYS HD3 . 11583 1 143 . 1 1 13 13 LYS HE2 H 1 2.997 0.009 . 2 . . . A 122 LYS HE2 . 11583 1 144 . 1 1 13 13 LYS HE3 H 1 2.997 0.009 . 2 . . . A 122 LYS HE3 . 11583 1 145 . 1 1 13 13 LYS C C 13 177.959 0.1 . 1 . . . A 122 LYS C . 11583 1 146 . 1 1 13 13 LYS CA C 13 59.836 0.091 . 1 . . . A 122 LYS CA . 11583 1 147 . 1 1 13 13 LYS CB C 13 32.13 0.275 . 1 . . . A 122 LYS CB . 11583 1 148 . 1 1 13 13 LYS CG C 13 24.647 0.235 . 1 . . . A 122 LYS CG . 11583 1 149 . 1 1 13 13 LYS CD C 13 29.305 0.065 . 1 . . . A 122 LYS CD . 11583 1 150 . 1 1 13 13 LYS CE C 13 42.098 0.156 . 1 . . . A 122 LYS CE . 11583 1 151 . 1 1 13 13 LYS N N 15 119.46 0.2 . 1 . . . A 122 LYS N . 11583 1 152 . 1 1 14 14 THR H H 1 8.281 0.007 . 1 . . . A 123 THR H . 11583 1 153 . 1 1 14 14 THR HA H 1 4.433 0.009 . 1 . . . A 123 THR HA . 11583 1 154 . 1 1 14 14 THR HB H 1 4.458 0.006 . 1 . . . A 123 THR HB . 11583 1 155 . 1 1 14 14 THR HG21 H 1 1.262 0.016 . 1 . . . A 123 THR HG21 . 11583 1 156 . 1 1 14 14 THR HG22 H 1 1.262 0.016 . 1 . . . A 123 THR HG22 . 11583 1 157 . 1 1 14 14 THR HG23 H 1 1.262 0.016 . 1 . . . A 123 THR HG23 . 11583 1 158 . 1 1 14 14 THR C C 13 175.137 0.1 . 1 . . . A 123 THR C . 11583 1 159 . 1 1 14 14 THR CA C 13 62.753 0.037 . 1 . . . A 123 THR CA . 11583 1 160 . 1 1 14 14 THR CB C 13 70.075 0.265 . 1 . . . A 123 THR CB . 11583 1 161 . 1 1 14 14 THR CG2 C 13 22.223 0.271 . 1 . . . A 123 THR CG2 . 11583 1 162 . 1 1 14 14 THR N N 15 107.351 0.2 . 1 . . . A 123 THR N . 11583 1 163 . 1 1 15 15 SER H H 1 8.003 0.006 . 1 . . . A 124 SER H . 11583 1 164 . 1 1 15 15 SER HA H 1 4.577 0.008 . 1 . . . A 124 SER HA . 11583 1 165 . 1 1 15 15 SER HB2 H 1 4.056 0.008 . 1 . . . A 124 SER HB2 . 11583 1 166 . 1 1 15 15 SER HB3 H 1 3.766 0.006 . 1 . . . A 124 SER HB3 . 11583 1 167 . 1 1 15 15 SER C C 13 173.806 0.1 . 1 . . . A 124 SER C . 11583 1 168 . 1 1 15 15 SER CA C 13 58.309 0.235 . 1 . . . A 124 SER CA . 11583 1 169 . 1 1 15 15 SER CB C 13 66.764 0.047 . 1 . . . A 124 SER CB . 11583 1 170 . 1 1 15 15 SER N N 15 117.081 0.2 . 1 . . . A 124 SER N . 11583 1 171 . 1 1 16 16 ILE H H 1 7.159 0.003 . 1 . . . A 125 ILE H . 11583 1 172 . 1 1 16 16 ILE HA H 1 4.454 0.01 . 1 . . . A 125 ILE HA . 11583 1 173 . 1 1 16 16 ILE HB H 1 1.664 0.008 . 1 . . . A 125 ILE HB . 11583 1 174 . 1 1 16 16 ILE HG12 H 1 1.007 0.013 . 2 . . . A 125 ILE HG12 . 11583 1 175 . 1 1 16 16 ILE HG13 H 1 1.007 0.013 . 2 . . . A 125 ILE HG13 . 11583 1 176 . 1 1 16 16 ILE HG21 H 1 0.958 0.011 . 1 . . . A 125 ILE HG21 . 11583 1 177 . 1 1 16 16 ILE HG22 H 1 0.958 0.011 . 1 . . . A 125 ILE HG22 . 11583 1 178 . 1 1 16 16 ILE HG23 H 1 0.958 0.011 . 1 . . . A 125 ILE HG23 . 11583 1 179 . 1 1 16 16 ILE HD11 H 1 0.735 0.023 . 1 . . . A 125 ILE HD11 . 11583 1 180 . 1 1 16 16 ILE HD12 H 1 0.735 0.023 . 1 . . . A 125 ILE HD12 . 11583 1 181 . 1 1 16 16 ILE HD13 H 1 0.735 0.023 . 1 . . . A 125 ILE HD13 . 11583 1 182 . 1 1 16 16 ILE C C 13 175.549 0.049 . 1 . . . A 125 ILE C . 11583 1 183 . 1 1 16 16 ILE CA C 13 62.729 0.257 . 1 . . . A 125 ILE CA . 11583 1 184 . 1 1 16 16 ILE CB C 13 38.815 0.459 . 1 . . . A 125 ILE CB . 11583 1 185 . 1 1 16 16 ILE CG1 C 13 28.567 0.411 . 1 . . . A 125 ILE CG1 . 11583 1 186 . 1 1 16 16 ILE CG2 C 13 17.356 0.245 . 1 . . . A 125 ILE CG2 . 11583 1 187 . 1 1 16 16 ILE CD1 C 13 13.263 0.145 . 1 . . . A 125 ILE CD1 . 11583 1 188 . 1 1 16 16 ILE N N 15 121.131 0.049 . 1 . . . A 125 ILE N . 11583 1 189 . 1 1 17 17 CYS H H 1 8.549 0.005 . 1 . . . A 126 CYS H . 11583 1 190 . 1 1 17 17 CYS HA H 1 4.995 0.014 . 1 . . . A 126 CYS HA . 11583 1 191 . 1 1 17 17 CYS HB2 H 1 3.364 0.003 . 1 . . . A 126 CYS HB2 . 11583 1 192 . 1 1 17 17 CYS HB3 H 1 3.082 0.011 . 1 . . . A 126 CYS HB3 . 11583 1 193 . 1 1 17 17 CYS C C 13 171.465 0.081 . 1 . . . A 126 CYS C . 11583 1 194 . 1 1 17 17 CYS CA C 13 52.97 0.127 . 1 . . . A 126 CYS CA . 11583 1 195 . 1 1 17 17 CYS CB C 13 48.452 0.222 . 1 . . . A 126 CYS CB . 11583 1 196 . 1 1 17 17 CYS N N 15 122.01 0.081 . 1 . . . A 126 CYS N . 11583 1 197 . 1 1 18 18 ASN H H 1 9.511 0.004 . 1 . . . A 127 ASN H . 11583 1 198 . 1 1 18 18 ASN HA H 1 4.924 0.013 . 1 . . . A 127 ASN HA . 11583 1 199 . 1 1 18 18 ASN HB2 H 1 2.766 0.009 . 2 . . . A 127 ASN HB2 . 11583 1 200 . 1 1 18 18 ASN HB3 H 1 2.766 0.009 . 2 . . . A 127 ASN HB3 . 11583 1 201 . 1 1 18 18 ASN HD21 H 1 6.929 0.02 . 1 . . . A 127 ASN HD21 . 11583 1 202 . 1 1 18 18 ASN HD22 H 1 7.862 0.008 . 1 . . . A 127 ASN HD22 . 11583 1 203 . 1 1 18 18 ASN C C 13 174.639 0.1 . 1 . . . A 127 ASN C . 11583 1 204 . 1 1 18 18 ASN CA C 13 53.986 0.185 . 1 . . . A 127 ASN CA . 11583 1 205 . 1 1 18 18 ASN CB C 13 41.505 0.125 . 1 . . . A 127 ASN CB . 11583 1 206 . 1 1 18 18 ASN N N 15 116.718 0.2 . 1 . . . A 127 ASN N . 11583 1 207 . 1 1 18 18 ASN ND2 N 15 114.926 0.2 . 1 . . . A 127 ASN ND2 . 11583 1 208 . 1 1 19 19 SER H H 1 8.354 0.004 . 1 . . . A 128 SER H . 11583 1 209 . 1 1 19 19 SER HA H 1 4.658 0.036 . 1 . . . A 128 SER HA . 11583 1 210 . 1 1 19 19 SER HB2 H 1 4.107 0.023 . 1 . . . A 128 SER HB2 . 11583 1 211 . 1 1 19 19 SER HB3 H 1 3.895 0.009 . 1 . . . A 128 SER HB3 . 11583 1 212 . 1 1 19 19 SER C C 13 174.24 0.011 . 1 . . . A 128 SER C . 11583 1 213 . 1 1 19 19 SER CA C 13 57.042 0.096 . 1 . . . A 128 SER CA . 11583 1 214 . 1 1 19 19 SER CB C 13 65.889 0.264 . 1 . . . A 128 SER CB . 11583 1 215 . 1 1 19 19 SER N N 15 115.204 0.011 . 1 . . . A 128 SER N . 11583 1 216 . 1 1 20 20 ASP H H 1 8.897 0.004 . 1 . . . A 129 ASP H . 11583 1 217 . 1 1 20 20 ASP HA H 1 4.128 0.015 . 1 . . . A 129 ASP HA . 11583 1 218 . 1 1 20 20 ASP HB2 H 1 3.099 0.02 . 1 . . . A 129 ASP HB2 . 11583 1 219 . 1 1 20 20 ASP HB3 H 1 2.645 0.01 . 1 . . . A 129 ASP HB3 . 11583 1 220 . 1 1 20 20 ASP C C 13 176.549 0.1 . 1 . . . A 129 ASP C . 11583 1 221 . 1 1 20 20 ASP CA C 13 57.99 0.108 . 1 . . . A 129 ASP CA . 11583 1 222 . 1 1 20 20 ASP CB C 13 39.656 0.249 . 1 . . . A 129 ASP CB . 11583 1 223 . 1 1 20 20 ASP N N 15 122.858 0.2 . 1 . . . A 129 ASP N . 11583 1 224 . 1 1 21 21 ALA H H 1 7.689 0.007 . 1 . . . A 130 ALA H . 11583 1 225 . 1 1 21 21 ALA HA H 1 4.132 0.006 . 1 . . . A 130 ALA HA . 11583 1 226 . 1 1 21 21 ALA HB1 H 1 1.353 0.008 . 1 . . . A 130 ALA HB1 . 11583 1 227 . 1 1 21 21 ALA HB2 H 1 1.353 0.008 . 1 . . . A 130 ALA HB2 . 11583 1 228 . 1 1 21 21 ALA HB3 H 1 1.353 0.008 . 1 . . . A 130 ALA HB3 . 11583 1 229 . 1 1 21 21 ALA C C 13 178.475 0.074 . 1 . . . A 130 ALA C . 11583 1 230 . 1 1 21 21 ALA CA C 13 54.119 0.138 . 1 . . . A 130 ALA CA . 11583 1 231 . 1 1 21 21 ALA CB C 13 18.329 0.151 . 1 . . . A 130 ALA CB . 11583 1 232 . 1 1 21 21 ALA N N 15 118.273 0.074 . 1 . . . A 130 ALA N . 11583 1 233 . 1 1 22 22 ASP H H 1 7.62 0.006 . 1 . . . A 131 ASP H . 11583 1 234 . 1 1 22 22 ASP HA H 1 4.592 0.017 . 1 . . . A 131 ASP HA . 11583 1 235 . 1 1 22 22 ASP HB2 H 1 3.127 0.029 . 1 . . . A 131 ASP HB2 . 11583 1 236 . 1 1 22 22 ASP HB3 H 1 2.94 0.01 . 1 . . . A 131 ASP HB3 . 11583 1 237 . 1 1 22 22 ASP C C 13 175.515 0.1 . 1 . . . A 131 ASP C . 11583 1 238 . 1 1 22 22 ASP CA C 13 55.559 0.07 . 1 . . . A 131 ASP CA . 11583 1 239 . 1 1 22 22 ASP CB C 13 42.326 0.169 . 1 . . . A 131 ASP CB . 11583 1 240 . 1 1 22 22 ASP N N 15 115.342 0.2 . 1 . . . A 131 ASP N . 11583 1 241 . 1 1 23 23 CYS H H 1 8.081 0.01 . 1 . . . A 132 CYS H . 11583 1 242 . 1 1 23 23 CYS HA H 1 4.907 0.019 . 1 . . . A 132 CYS HA . 11583 1 243 . 1 1 23 23 CYS HB2 H 1 2.758 0.038 . 2 . . . A 132 CYS HB2 . 11583 1 244 . 1 1 23 23 CYS HB3 H 1 2.758 0.038 . 2 . . . A 132 CYS HB3 . 11583 1 245 . 1 1 23 23 CYS C C 13 173.556 0.1 . 1 . . . A 132 CYS C . 11583 1 246 . 1 1 23 23 CYS CA C 13 53.098 0.114 . 1 . . . A 132 CYS CA . 11583 1 247 . 1 1 23 23 CYS CB C 13 40.779 0.079 . 1 . . . A 132 CYS CB . 11583 1 248 . 1 1 23 23 CYS N N 15 120.174 0.2 . 1 . . . A 132 CYS N . 11583 1 249 . 1 1 24 24 THR H H 1 8.831 0.003 . 1 . . . A 133 THR H . 11583 1 250 . 1 1 24 24 THR HA H 1 4.735 0.011 . 1 . . . A 133 THR HA . 11583 1 251 . 1 1 24 24 THR HB H 1 4.058 0.02 . 1 . . . A 133 THR HB . 11583 1 252 . 1 1 24 24 THR HG21 H 1 1.198 0.013 . 1 . . . A 133 THR HG21 . 11583 1 253 . 1 1 24 24 THR HG22 H 1 1.198 0.013 . 1 . . . A 133 THR HG22 . 11583 1 254 . 1 1 24 24 THR HG23 H 1 1.198 0.013 . 1 . . . A 133 THR HG23 . 11583 1 255 . 1 1 24 24 THR CA C 13 60.248 0.042 . 1 . . . A 133 THR CA . 11583 1 256 . 1 1 24 24 THR CB C 13 71.797 0.349 . 1 . . . A 133 THR CB . 11583 1 257 . 1 1 24 24 THR CG2 C 13 21.706 0.163 . 1 . . . A 133 THR CG2 . 11583 1 258 . 1 1 24 24 THR N N 15 120.985 0.2 . 1 . . . A 133 THR N . 11583 1 259 . 1 1 25 25 PRO HA H 1 4.391 0.02 . 1 . . . A 134 PRO HA . 11583 1 260 . 1 1 25 25 PRO HB2 H 1 1.966 0.02 . 2 . . . A 134 PRO HB2 . 11583 1 261 . 1 1 25 25 PRO HB3 H 1 1.966 0.02 . 2 . . . A 134 PRO HB3 . 11583 1 262 . 1 1 25 25 PRO HG2 H 1 2.002 0.025 . 2 . . . A 134 PRO HG2 . 11583 1 263 . 1 1 25 25 PRO HG3 H 1 2.002 0.025 . 2 . . . A 134 PRO HG3 . 11583 1 264 . 1 1 25 25 PRO HD2 H 1 3.783 0.05 . 2 . . . A 134 PRO HD2 . 11583 1 265 . 1 1 25 25 PRO HD3 H 1 3.783 0.05 . 2 . . . A 134 PRO HD3 . 11583 1 266 . 1 1 25 25 PRO C C 13 177.594 0.1 . 1 . . . A 134 PRO C . 11583 1 267 . 1 1 25 25 PRO CA C 13 63.349 0.051 . 1 . . . A 134 PRO CA . 11583 1 268 . 1 1 25 25 PRO CB C 13 31.713 0.1 . 1 . . . A 134 PRO CB . 11583 1 269 . 1 1 25 25 PRO CG C 13 26.967 0.054 . 1 . . . A 134 PRO CG . 11583 1 270 . 1 1 25 25 PRO CD C 13 50.746 0.1 . 1 . . . A 134 PRO CD . 11583 1 271 . 1 1 26 26 GLY H H 1 8.897 0.004 . 1 . . . A 135 GLY H . 11583 1 272 . 1 1 26 26 GLY HA2 H 1 3.979 0.057 . 2 . . . A 135 GLY HA2 . 11583 1 273 . 1 1 26 26 GLY HA3 H 1 3.979 0.057 . 2 . . . A 135 GLY HA3 . 11583 1 274 . 1 1 26 26 GLY C C 13 174.222 0.1 . 1 . . . A 135 GLY C . 11583 1 275 . 1 1 26 26 GLY CA C 13 45.42 0.13 . 1 . . . A 135 GLY CA . 11583 1 276 . 1 1 26 26 GLY N N 15 111.083 0.2 . 1 . . . A 135 GLY N . 11583 1 277 . 1 1 27 27 SER H H 1 8.103 0.007 . 1 . . . A 136 SER H . 11583 1 278 . 1 1 27 27 SER HA H 1 4.484 0.039 . 1 . . . A 136 SER HA . 11583 1 279 . 1 1 27 27 SER HB2 H 1 3.905 0.007 . 2 . . . A 136 SER HB2 . 11583 1 280 . 1 1 27 27 SER HB3 H 1 3.905 0.007 . 2 . . . A 136 SER HB3 . 11583 1 281 . 1 1 27 27 SER C C 13 174.591 0.1 . 1 . . . A 136 SER C . 11583 1 282 . 1 1 27 27 SER CA C 13 58.4 0.036 . 1 . . . A 136 SER CA . 11583 1 283 . 1 1 27 27 SER CB C 13 63.99 0.193 . 1 . . . A 136 SER CB . 11583 1 284 . 1 1 27 27 SER N N 15 115.518 0.2 . 1 . . . A 136 SER N . 11583 1 285 . 1 1 28 28 VAL H H 1 8.142 0.004 . 1 . . . A 137 VAL H . 11583 1 286 . 1 1 28 28 VAL HA H 1 4.144 0.022 . 1 . . . A 137 VAL HA . 11583 1 287 . 1 1 28 28 VAL HB H 1 2.068 0.009 . 1 . . . A 137 VAL HB . 11583 1 288 . 1 1 28 28 VAL HG11 H 1 0.894 0.008 . 1 . . . A 137 VAL HG11 . 11583 1 289 . 1 1 28 28 VAL HG12 H 1 0.894 0.008 . 1 . . . A 137 VAL HG12 . 11583 1 290 . 1 1 28 28 VAL HG13 H 1 0.894 0.008 . 1 . . . A 137 VAL HG13 . 11583 1 291 . 1 1 28 28 VAL HG21 H 1 0.869 0.033 . 1 . . . A 137 VAL HG21 . 11583 1 292 . 1 1 28 28 VAL HG22 H 1 0.869 0.033 . 1 . . . A 137 VAL HG22 . 11583 1 293 . 1 1 28 28 VAL HG23 H 1 0.869 0.033 . 1 . . . A 137 VAL HG23 . 11583 1 294 . 1 1 28 28 VAL C C 13 176.705 0.1 . 1 . . . A 137 VAL C . 11583 1 295 . 1 1 28 28 VAL CA C 13 62.169 0.136 . 1 . . . A 137 VAL CA . 11583 1 296 . 1 1 28 28 VAL CB C 13 33.079 0.045 . 1 . . . A 137 VAL CB . 11583 1 297 . 1 1 28 28 VAL CG1 C 13 21.476 0.1 . 1 . . . A 137 VAL CG1 . 11583 1 298 . 1 1 28 28 VAL CG2 C 13 20.357 0.344 . 1 . . . A 137 VAL CG2 . 11583 1 299 . 1 1 28 28 VAL N N 15 120.92 0.2 . 1 . . . A 137 VAL N . 11583 1 300 . 1 1 29 29 ASP H H 1 8.73 0.005 . 1 . . . A 138 ASP H . 11583 1 301 . 1 1 29 29 ASP HA H 1 4.773 0.016 . 1 . . . A 138 ASP HA . 11583 1 302 . 1 1 29 29 ASP HB2 H 1 2.942 0.02 . 1 . . . A 138 ASP HB2 . 11583 1 303 . 1 1 29 29 ASP HB3 H 1 2.664 0.015 . 1 . . . A 138 ASP HB3 . 11583 1 304 . 1 1 29 29 ASP C C 13 177.003 0.1 . 1 . . . A 138 ASP C . 11583 1 305 . 1 1 29 29 ASP CA C 13 52.898 0.069 . 1 . . . A 138 ASP CA . 11583 1 306 . 1 1 29 29 ASP CB C 13 41.995 0.073 . 1 . . . A 138 ASP CB . 11583 1 307 . 1 1 29 29 ASP N N 15 127.984 0.2 . 1 . . . A 138 ASP N . 11583 1 308 . 1 1 30 30 THR H H 1 8.698 0.099 . 1 . . . A 139 THR H . 11583 1 309 . 1 1 30 30 THR HA H 1 4.046 0.01 . 1 . . . A 139 THR HA . 11583 1 310 . 1 1 30 30 THR HB H 1 4.177 0.012 . 1 . . . A 139 THR HB . 11583 1 311 . 1 1 30 30 THR HG21 H 1 1.207 0.01 . 1 . . . A 139 THR HG21 . 11583 1 312 . 1 1 30 30 THR HG22 H 1 1.207 0.01 . 1 . . . A 139 THR HG22 . 11583 1 313 . 1 1 30 30 THR HG23 H 1 1.207 0.01 . 1 . . . A 139 THR HG23 . 11583 1 314 . 1 1 30 30 THR C C 13 176.267 0.1 . 1 . . . A 139 THR C . 11583 1 315 . 1 1 30 30 THR CA C 13 64.636 0.203 . 1 . . . A 139 THR CA . 11583 1 316 . 1 1 30 30 THR CB C 13 68.701 0.35 . 1 . . . A 139 THR CB . 11583 1 317 . 1 1 30 30 THR CG2 C 13 22.105 0.1 . 1 . . . A 139 THR CG2 . 11583 1 318 . 1 1 30 30 THR N N 15 119.893 0.2 . 1 . . . A 139 THR N . 11583 1 319 . 1 1 31 31 HIS H H 1 8.334 0.004 . 1 . . . A 140 HIS H . 11583 1 320 . 1 1 31 31 HIS HA H 1 4.549 0.025 . 1 . . . A 140 HIS HA . 11583 1 321 . 1 1 31 31 HIS HB2 H 1 3.426 0.03 . 2 . . . A 140 HIS HB2 . 11583 1 322 . 1 1 31 31 HIS HB3 H 1 3.426 0.03 . 2 . . . A 140 HIS HB3 . 11583 1 323 . 1 1 31 31 HIS HD2 H 1 7.363 0.006 . 1 . . . A 140 HIS HD2 . 11583 1 324 . 1 1 31 31 HIS HE1 H 1 8.561 0.02 . 1 . . . A 140 HIS HE1 . 11583 1 325 . 1 1 31 31 HIS C C 13 175.252 0.1 . 1 . . . A 140 HIS C . 11583 1 326 . 1 1 31 31 HIS CA C 13 57.871 0.039 . 1 . . . A 140 HIS CA . 11583 1 327 . 1 1 31 31 HIS CB C 13 28.141 0.084 . 1 . . . A 140 HIS CB . 11583 1 328 . 1 1 31 31 HIS CD2 C 13 120.134 0.043 . 1 . . . A 140 HIS CD2 . 11583 1 329 . 1 1 31 31 HIS CE1 C 13 136.327 0.1 . 1 . . . A 140 HIS CE1 . 11583 1 330 . 1 1 31 31 HIS N N 15 118.199 0.2 . 1 . . . A 140 HIS N . 11583 1 331 . 1 1 32 32 SER H H 1 7.651 0.006 . 1 . . . A 141 SER H . 11583 1 332 . 1 1 32 32 SER HA H 1 4.502 0.021 . 1 . . . A 141 SER HA . 11583 1 333 . 1 1 32 32 SER HB2 H 1 4.161 0.023 . 2 . . . A 141 SER HB2 . 11583 1 334 . 1 1 32 32 SER HB3 H 1 4.161 0.023 . 2 . . . A 141 SER HB3 . 11583 1 335 . 1 1 32 32 SER C C 13 175.366 0.1 . 1 . . . A 141 SER C . 11583 1 336 . 1 1 32 32 SER CA C 13 59.274 0.043 . 1 . . . A 141 SER CA . 11583 1 337 . 1 1 32 32 SER CB C 13 66.536 0.207 . 1 . . . A 141 SER CB . 11583 1 338 . 1 1 32 32 SER N N 15 112.226 0.2 . 1 . . . A 141 SER N . 11583 1 339 . 1 1 33 33 SER H H 1 8.399 0.004 . 1 . . . A 142 SER H . 11583 1 340 . 1 1 33 33 SER HA H 1 4.253 0.024 . 1 . . . A 142 SER HA . 11583 1 341 . 1 1 33 33 SER HB2 H 1 4.125 0.02 . 2 . . . A 142 SER HB2 . 11583 1 342 . 1 1 33 33 SER HB3 H 1 4.125 0.02 . 2 . . . A 142 SER HB3 . 11583 1 343 . 1 1 33 33 SER C C 13 173.779 0.1 . 1 . . . A 142 SER C . 11583 1 344 . 1 1 33 33 SER CA C 13 60.46 0.177 . 1 . . . A 142 SER CA . 11583 1 345 . 1 1 33 33 SER CB C 13 62.637 0.17 . 1 . . . A 142 SER CB . 11583 1 346 . 1 1 33 33 SER N N 15 115.795 0.2 . 1 . . . A 142 SER N . 11583 1 347 . 1 1 34 34 GLY H H 1 8.683 0.004 . 1 . . . A 143 GLY H . 11583 1 348 . 1 1 34 34 GLY HA2 H 1 4.457 0.013 . 1 . . . A 143 GLY HA2 . 11583 1 349 . 1 1 34 34 GLY HA3 H 1 3.59 0.013 . 1 . . . A 143 GLY HA3 . 11583 1 350 . 1 1 34 34 GLY C C 13 171.546 0.1 . 1 . . . A 143 GLY C . 11583 1 351 . 1 1 34 34 GLY CA C 13 45.092 0.24 . 1 . . . A 143 GLY CA . 11583 1 352 . 1 1 34 34 GLY N N 15 108.844 0.2 . 1 . . . A 143 GLY N . 11583 1 353 . 1 1 35 35 VAL H H 1 7.884 0.01 . 1 . . . A 144 VAL H . 11583 1 354 . 1 1 35 35 VAL HA H 1 4.677 0.013 . 1 . . . A 144 VAL HA . 11583 1 355 . 1 1 35 35 VAL HB H 1 1.896 0.013 . 1 . . . A 144 VAL HB . 11583 1 356 . 1 1 35 35 VAL HG11 H 1 0.958 0.019 . 1 . . . A 144 VAL HG11 . 11583 1 357 . 1 1 35 35 VAL HG12 H 1 0.958 0.019 . 1 . . . A 144 VAL HG12 . 11583 1 358 . 1 1 35 35 VAL HG13 H 1 0.958 0.019 . 1 . . . A 144 VAL HG13 . 11583 1 359 . 1 1 35 35 VAL HG21 H 1 0.912 0.018 . 1 . . . A 144 VAL HG21 . 11583 1 360 . 1 1 35 35 VAL HG22 H 1 0.912 0.018 . 1 . . . A 144 VAL HG22 . 11583 1 361 . 1 1 35 35 VAL HG23 H 1 0.912 0.018 . 1 . . . A 144 VAL HG23 . 11583 1 362 . 1 1 35 35 VAL C C 13 176.794 0.1 . 1 . . . A 144 VAL C . 11583 1 363 . 1 1 35 35 VAL CA C 13 60.77 0.068 . 1 . . . A 144 VAL CA . 11583 1 364 . 1 1 35 35 VAL CB C 13 34.301 0.109 . 1 . . . A 144 VAL CB . 11583 1 365 . 1 1 35 35 VAL CG1 C 13 20.957 0.178 . 1 . . . A 144 VAL CG1 . 11583 1 366 . 1 1 35 35 VAL CG2 C 13 20.743 0.173 . 1 . . . A 144 VAL CG2 . 11583 1 367 . 1 1 35 35 VAL N N 15 117.921 0.2 . 1 . . . A 144 VAL N . 11583 1 368 . 1 1 36 36 ALA H H 1 9.391 0.012 . 1 . . . A 145 ALA H . 11583 1 369 . 1 1 36 36 ALA HA H 1 5.033 0.014 . 1 . . . A 145 ALA HA . 11583 1 370 . 1 1 36 36 ALA HB1 H 1 1.537 0.004 . 1 . . . A 145 ALA HB1 . 11583 1 371 . 1 1 36 36 ALA HB2 H 1 1.537 0.004 . 1 . . . A 145 ALA HB2 . 11583 1 372 . 1 1 36 36 ALA HB3 H 1 1.537 0.004 . 1 . . . A 145 ALA HB3 . 11583 1 373 . 1 1 36 36 ALA C C 13 179.69 0.1 . 1 . . . A 145 ALA C . 11583 1 374 . 1 1 36 36 ALA CA C 13 52.828 0.02 . 1 . . . A 145 ALA CA . 11583 1 375 . 1 1 36 36 ALA CB C 13 17.847 0.226 . 1 . . . A 145 ALA CB . 11583 1 376 . 1 1 36 36 ALA N N 15 131.75 0.2 . 1 . . . A 145 ALA N . 11583 1 377 . 1 1 37 37 THR H H 1 8.313 0.005 . 1 . . . A 146 THR H . 11583 1 378 . 1 1 37 37 THR HA H 1 4.277 0.02 . 1 . . . A 146 THR HA . 11583 1 379 . 1 1 37 37 THR HB H 1 4.407 0.028 . 1 . . . A 146 THR HB . 11583 1 380 . 1 1 37 37 THR HG21 H 1 1.191 0.015 . 1 . . . A 146 THR HG21 . 11583 1 381 . 1 1 37 37 THR HG22 H 1 1.191 0.015 . 1 . . . A 146 THR HG22 . 11583 1 382 . 1 1 37 37 THR HG23 H 1 1.191 0.015 . 1 . . . A 146 THR HG23 . 11583 1 383 . 1 1 37 37 THR C C 13 176.788 0.1 . 1 . . . A 146 THR C . 11583 1 384 . 1 1 37 37 THR CA C 13 62.155 0.147 . 1 . . . A 146 THR CA . 11583 1 385 . 1 1 37 37 THR CB C 13 69.805 0.248 . 1 . . . A 146 THR CB . 11583 1 386 . 1 1 37 37 THR CG2 C 13 21.899 0.1 . 1 . . . A 146 THR CG2 . 11583 1 387 . 1 1 37 37 THR N N 15 113.049 0.2 . 1 . . . A 146 THR N . 11583 1 388 . 1 1 38 38 GLY H H 1 9.383 0.006 . 1 . . . A 147 GLY H . 11583 1 389 . 1 1 38 38 GLY HA2 H 1 4.551 0.011 . 1 . . . A 147 GLY HA2 . 11583 1 390 . 1 1 38 38 GLY HA3 H 1 3.334 0.01 . 1 . . . A 147 GLY HA3 . 11583 1 391 . 1 1 38 38 GLY C C 13 172.235 0.1 . 1 . . . A 147 GLY C . 11583 1 392 . 1 1 38 38 GLY CA C 13 44.544 0.112 . 1 . . . A 147 GLY CA . 11583 1 393 . 1 1 38 38 GLY N N 15 110.478 0.2 . 1 . . . A 147 GLY N . 11583 1 394 . 1 1 39 39 ARG H H 1 7.575 0.003 . 1 . . . A 148 ARG H . 11583 1 395 . 1 1 39 39 ARG HA H 1 4.466 0.01 . 1 . . . A 148 ARG HA . 11583 1 396 . 1 1 39 39 ARG HB2 H 1 1.599 0.035 . 2 . . . A 148 ARG HB2 . 11583 1 397 . 1 1 39 39 ARG HB3 H 1 1.599 0.035 . 2 . . . A 148 ARG HB3 . 11583 1 398 . 1 1 39 39 ARG HG2 H 1 1.597 0.027 . 1 . . . A 148 ARG HG2 . 11583 1 399 . 1 1 39 39 ARG HG3 H 1 1.429 0.033 . 1 . . . A 148 ARG HG3 . 11583 1 400 . 1 1 39 39 ARG HD2 H 1 3.162 0.011 . 2 . . . A 148 ARG HD2 . 11583 1 401 . 1 1 39 39 ARG HD3 H 1 3.162 0.011 . 2 . . . A 148 ARG HD3 . 11583 1 402 . 1 1 39 39 ARG HE H 1 7.414 0.005 . 1 . . . A 148 ARG HE . 11583 1 403 . 1 1 39 39 ARG C C 13 175.51 0.1 . 1 . . . A 148 ARG C . 11583 1 404 . 1 1 39 39 ARG CA C 13 55.698 0.092 . 1 . . . A 148 ARG CA . 11583 1 405 . 1 1 39 39 ARG CB C 13 31.633 0.168 . 1 . . . A 148 ARG CB . 11583 1 406 . 1 1 39 39 ARG CG C 13 26.759 0.162 . 1 . . . A 148 ARG CG . 11583 1 407 . 1 1 39 39 ARG CD C 13 43.453 0.144 . 1 . . . A 148 ARG CD . 11583 1 408 . 1 1 39 39 ARG N N 15 116.429 0.2 . 1 . . . A 148 ARG N . 11583 1 409 . 1 1 39 39 ARG NE N 15 84.125 0.2 . 1 . . . A 148 ARG NE . 11583 1 410 . 1 1 40 40 CYS H H 1 9.138 0.01 . 1 . . . A 149 CYS H . 11583 1 411 . 1 1 40 40 CYS HA H 1 5.008 0.007 . 1 . . . A 149 CYS HA . 11583 1 412 . 1 1 40 40 CYS HB2 H 1 2.795 0.024 . 2 . . . A 149 CYS HB2 . 11583 1 413 . 1 1 40 40 CYS HB3 H 1 2.795 0.024 . 2 . . . A 149 CYS HB3 . 11583 1 414 . 1 1 40 40 CYS C C 13 174.769 0.002 . 1 . . . A 149 CYS C . 11583 1 415 . 1 1 40 40 CYS CA C 13 55.574 0.104 . 1 . . . A 149 CYS CA . 11583 1 416 . 1 1 40 40 CYS CB C 13 40.583 0.083 . 1 . . . A 149 CYS CB . 11583 1 417 . 1 1 40 40 CYS N N 15 126.023 0.002 . 1 . . . A 149 CYS N . 11583 1 418 . 1 1 41 41 VAL H H 1 9.226 0.002 . 1 . . . A 150 VAL H . 11583 1 419 . 1 1 41 41 VAL HA H 1 5.087 0.009 . 1 . . . A 150 VAL HA . 11583 1 420 . 1 1 41 41 VAL HB H 1 2.299 0.005 . 1 . . . A 150 VAL HB . 11583 1 421 . 1 1 41 41 VAL HG11 H 1 0.815 0.009 . 1 . . . A 150 VAL HG11 . 11583 1 422 . 1 1 41 41 VAL HG12 H 1 0.815 0.009 . 1 . . . A 150 VAL HG12 . 11583 1 423 . 1 1 41 41 VAL HG13 H 1 0.815 0.009 . 1 . . . A 150 VAL HG13 . 11583 1 424 . 1 1 41 41 VAL HG21 H 1 0.761 0.013 . 1 . . . A 150 VAL HG21 . 11583 1 425 . 1 1 41 41 VAL HG22 H 1 0.761 0.013 . 1 . . . A 150 VAL HG22 . 11583 1 426 . 1 1 41 41 VAL HG23 H 1 0.761 0.013 . 1 . . . A 150 VAL HG23 . 11583 1 427 . 1 1 41 41 VAL CA C 13 58.073 0.061 . 1 . . . A 150 VAL CA . 11583 1 428 . 1 1 41 41 VAL CB C 13 33.379 0.208 . 1 . . . A 150 VAL CB . 11583 1 429 . 1 1 41 41 VAL CG1 C 13 17.708 0.362 . 1 . . . A 150 VAL CG1 . 11583 1 430 . 1 1 41 41 VAL CG2 C 13 21.86 0.1 . 1 . . . A 150 VAL CG2 . 11583 1 431 . 1 1 41 41 VAL N N 15 123.262 0.2 . 1 . . . A 150 VAL N . 11583 1 432 . 1 1 42 42 PRO HA H 1 5.108 0.009 . 1 . . . A 151 PRO HA . 11583 1 433 . 1 1 42 42 PRO HB2 H 1 2.276 0.019 . 2 . . . A 151 PRO HB2 . 11583 1 434 . 1 1 42 42 PRO HB3 H 1 2.276 0.019 . 2 . . . A 151 PRO HB3 . 11583 1 435 . 1 1 42 42 PRO HG2 H 1 1.964 0.039 . 2 . . . A 151 PRO HG2 . 11583 1 436 . 1 1 42 42 PRO HG3 H 1 1.964 0.039 . 2 . . . A 151 PRO HG3 . 11583 1 437 . 1 1 42 42 PRO HD2 H 1 3.847 0.018 . 1 . . . A 151 PRO HD2 . 11583 1 438 . 1 1 42 42 PRO HD3 H 1 3.609 0.002 . 1 . . . A 151 PRO HD3 . 11583 1 439 . 1 1 42 42 PRO C C 13 176.676 0.1 . 1 . . . A 151 PRO C . 11583 1 440 . 1 1 42 42 PRO CA C 13 64.601 0.036 . 1 . . . A 151 PRO CA . 11583 1 441 . 1 1 42 42 PRO CB C 13 32.604 0.711 . 1 . . . A 151 PRO CB . 11583 1 442 . 1 1 42 42 PRO CG C 13 27.435 0.562 . 1 . . . A 151 PRO CG . 11583 1 443 . 1 1 42 42 PRO CD C 13 50.599 0.04 . 1 . . . A 151 PRO CD . 11583 1 444 . 1 1 43 43 PHE H H 1 9.49 0.008 . 1 . . . A 152 PHE H . 11583 1 445 . 1 1 43 43 PHE HA H 1 4.481 0.034 . 1 . . . A 152 PHE HA . 11583 1 446 . 1 1 43 43 PHE HB2 H 1 3.429 0.015 . 1 . . . A 152 PHE HB2 . 11583 1 447 . 1 1 43 43 PHE HB3 H 1 2.706 0.018 . 1 . . . A 152 PHE HB3 . 11583 1 448 . 1 1 43 43 PHE HD1 H 1 7.024 0.016 . 3 . . . A 152 PHE HD1 . 11583 1 449 . 1 1 43 43 PHE HD2 H 1 7.024 0.016 . 3 . . . A 152 PHE HD2 . 11583 1 450 . 1 1 43 43 PHE HE1 H 1 7.305 0.011 . 3 . . . A 152 PHE HE1 . 11583 1 451 . 1 1 43 43 PHE HE2 H 1 7.305 0.011 . 3 . . . A 152 PHE HE2 . 11583 1 452 . 1 1 43 43 PHE HZ H 1 7.302 0.001 . 1 . . . A 152 PHE HZ . 11583 1 453 . 1 1 43 43 PHE C C 13 175.9 0.1 . 1 . . . A 152 PHE C . 11583 1 454 . 1 1 43 43 PHE CA C 13 60.196 0.048 . 1 . . . A 152 PHE CA . 11583 1 455 . 1 1 43 43 PHE CB C 13 40.671 0.053 . 1 . . . A 152 PHE CB . 11583 1 456 . 1 1 43 43 PHE CD1 C 13 131.976 0.045 . 3 . . . A 152 PHE CD1 . 11583 1 457 . 1 1 43 43 PHE CD2 C 13 131.976 0.045 . 3 . . . A 152 PHE CD2 . 11583 1 458 . 1 1 43 43 PHE CE1 C 13 131.715 0.251 . 3 . . . A 152 PHE CE1 . 11583 1 459 . 1 1 43 43 PHE CE2 C 13 131.715 0.251 . 3 . . . A 152 PHE CE2 . 11583 1 460 . 1 1 43 43 PHE CZ C 13 130.063 0.1 . 1 . . . A 152 PHE CZ . 11583 1 461 . 1 1 43 43 PHE N N 15 126.533 0.2 . 1 . . . A 152 PHE N . 11583 1 462 . 1 1 44 44 ASN H H 1 8.209 0.004 . 1 . . . A 153 ASN H . 11583 1 463 . 1 1 44 44 ASN HA H 1 4.494 0.019 . 1 . . . A 153 ASN HA . 11583 1 464 . 1 1 44 44 ASN HB2 H 1 3.258 0.012 . 1 . . . A 153 ASN HB2 . 11583 1 465 . 1 1 44 44 ASN HB3 H 1 2.861 0.013 . 1 . . . A 153 ASN HB3 . 11583 1 466 . 1 1 44 44 ASN C C 13 174.829 0.023 . 1 . . . A 153 ASN C . 11583 1 467 . 1 1 44 44 ASN CA C 13 51.971 0.086 . 1 . . . A 153 ASN CA . 11583 1 468 . 1 1 44 44 ASN CB C 13 38.13 0.01 . 1 . . . A 153 ASN CB . 11583 1 469 . 1 1 44 44 ASN N N 15 116.64 0.023 . 1 . . . A 153 ASN N . 11583 1 470 . 1 1 45 45 GLU H H 1 8.704 0.007 . 1 . . . A 154 GLU H . 11583 1 471 . 1 1 45 45 GLU HA H 1 4.179 0.004 . 1 . . . A 154 GLU HA . 11583 1 472 . 1 1 45 45 GLU HB2 H 1 2.103 0.012 . 2 . . . A 154 GLU HB2 . 11583 1 473 . 1 1 45 45 GLU HB3 H 1 2.103 0.012 . 2 . . . A 154 GLU HB3 . 11583 1 474 . 1 1 45 45 GLU HG2 H 1 2.398 0.011 . 2 . . . A 154 GLU HG2 . 11583 1 475 . 1 1 45 45 GLU HG3 H 1 2.398 0.011 . 2 . . . A 154 GLU HG3 . 11583 1 476 . 1 1 45 45 GLU C C 13 176.669 0.056 . 1 . . . A 154 GLU C . 11583 1 477 . 1 1 45 45 GLU CA C 13 58.994 0.164 . 1 . . . A 154 GLU CA . 11583 1 478 . 1 1 45 45 GLU CB C 13 28.873 0.004 . 1 . . . A 154 GLU CB . 11583 1 479 . 1 1 45 45 GLU CG C 13 35.541 0.085 . 1 . . . A 154 GLU CG . 11583 1 480 . 1 1 45 45 GLU N N 15 114.887 0.056 . 1 . . . A 154 GLU N . 11583 1 481 . 1 1 46 46 SER H H 1 8.492 0.014 . 1 . . . A 155 SER H . 11583 1 482 . 1 1 46 46 SER HA H 1 4.718 0.009 . 1 . . . A 155 SER HA . 11583 1 483 . 1 1 46 46 SER HB2 H 1 3.888 0.006 . 2 . . . A 155 SER HB2 . 11583 1 484 . 1 1 46 46 SER HB3 H 1 3.888 0.006 . 2 . . . A 155 SER HB3 . 11583 1 485 . 1 1 46 46 SER C C 13 173.688 0.1 . 1 . . . A 155 SER C . 11583 1 486 . 1 1 46 46 SER CA C 13 59.306 0.017 . 1 . . . A 155 SER CA . 11583 1 487 . 1 1 46 46 SER CB C 13 65.444 0.033 . 1 . . . A 155 SER CB . 11583 1 488 . 1 1 46 46 SER N N 15 112.925 0.2 . 1 . . . A 155 SER N . 11583 1 489 . 1 1 47 47 VAL H H 1 8.095 0.012 . 1 . . . A 156 VAL H . 11583 1 490 . 1 1 47 47 VAL HA H 1 4.464 0.01 . 1 . . . A 156 VAL HA . 11583 1 491 . 1 1 47 47 VAL HB H 1 2.083 0.008 . 1 . . . A 156 VAL HB . 11583 1 492 . 1 1 47 47 VAL HG11 H 1 1.063 0.025 . 1 . . . A 156 VAL HG11 . 11583 1 493 . 1 1 47 47 VAL HG12 H 1 1.063 0.025 . 1 . . . A 156 VAL HG12 . 11583 1 494 . 1 1 47 47 VAL HG13 H 1 1.063 0.025 . 1 . . . A 156 VAL HG13 . 11583 1 495 . 1 1 47 47 VAL HG21 H 1 0.938 0.005 . 1 . . . A 156 VAL HG21 . 11583 1 496 . 1 1 47 47 VAL HG22 H 1 0.938 0.005 . 1 . . . A 156 VAL HG22 . 11583 1 497 . 1 1 47 47 VAL HG23 H 1 0.938 0.005 . 1 . . . A 156 VAL HG23 . 11583 1 498 . 1 1 47 47 VAL C C 13 173.11 0.016 . 1 . . . A 156 VAL C . 11583 1 499 . 1 1 47 47 VAL CA C 13 61.9 0.05 . 1 . . . A 156 VAL CA . 11583 1 500 . 1 1 47 47 VAL CB C 13 35.624 0.108 . 1 . . . A 156 VAL CB . 11583 1 501 . 1 1 47 47 VAL CG1 C 13 21.964 0.108 . 1 . . . A 156 VAL CG1 . 11583 1 502 . 1 1 47 47 VAL CG2 C 13 21.252 0.183 . 1 . . . A 156 VAL CG2 . 11583 1 503 . 1 1 47 47 VAL N N 15 122.295 0.016 . 1 . . . A 156 VAL N . 11583 1 504 . 1 1 48 48 LYS H H 1 8.77 0.006 . 1 . . . A 157 LYS H . 11583 1 505 . 1 1 48 48 LYS HA H 1 5.075 0.008 . 1 . . . A 157 LYS HA . 11583 1 506 . 1 1 48 48 LYS HB2 H 1 1.968 0.01 . 1 . . . A 157 LYS HB2 . 11583 1 507 . 1 1 48 48 LYS HB3 H 1 1.651 0.025 . 1 . . . A 157 LYS HB3 . 11583 1 508 . 1 1 48 48 LYS HG2 H 1 1.572 0.006 . 1 . . . A 157 LYS HG2 . 11583 1 509 . 1 1 48 48 LYS HG3 H 1 1.05 0.016 . 1 . . . A 157 LYS HG3 . 11583 1 510 . 1 1 48 48 LYS HD2 H 1 1.576 0.026 . 1 . . . A 157 LYS HD2 . 11583 1 511 . 1 1 48 48 LYS HD3 H 1 1.454 0.001 . 1 . . . A 157 LYS HD3 . 11583 1 512 . 1 1 48 48 LYS HE2 H 1 2.87 0.007 . 2 . . . A 157 LYS HE2 . 11583 1 513 . 1 1 48 48 LYS HE3 H 1 2.87 0.007 . 2 . . . A 157 LYS HE3 . 11583 1 514 . 1 1 48 48 LYS C C 13 175.528 0.1 . 1 . . . A 157 LYS C . 11583 1 515 . 1 1 48 48 LYS CA C 13 55.682 0.073 . 1 . . . A 157 LYS CA . 11583 1 516 . 1 1 48 48 LYS CB C 13 34.838 0.343 . 1 . . . A 157 LYS CB . 11583 1 517 . 1 1 48 48 LYS CG C 13 25.508 0.101 . 1 . . . A 157 LYS CG . 11583 1 518 . 1 1 48 48 LYS CD C 13 29.858 0.415 . 1 . . . A 157 LYS CD . 11583 1 519 . 1 1 48 48 LYS CE C 13 42.237 0.333 . 1 . . . A 157 LYS CE . 11583 1 520 . 1 1 48 48 LYS N N 15 127.566 0.2 . 1 . . . A 157 LYS N . 11583 1 521 . 1 1 49 49 THR H H 1 9.156 0.004 . 1 . . . A 158 THR H . 11583 1 522 . 1 1 49 49 THR HA H 1 5.249 0.005 . 1 . . . A 158 THR HA . 11583 1 523 . 1 1 49 49 THR HB H 1 3.866 0.019 . 1 . . . A 158 THR HB . 11583 1 524 . 1 1 49 49 THR HG21 H 1 0.689 0.008 . 1 . . . A 158 THR HG21 . 11583 1 525 . 1 1 49 49 THR HG22 H 1 0.689 0.008 . 1 . . . A 158 THR HG22 . 11583 1 526 . 1 1 49 49 THR HG23 H 1 0.689 0.008 . 1 . . . A 158 THR HG23 . 11583 1 527 . 1 1 49 49 THR C C 13 175.226 0.1 . 1 . . . A 158 THR C . 11583 1 528 . 1 1 49 49 THR CA C 13 58.895 0.242 . 1 . . . A 158 THR CA . 11583 1 529 . 1 1 49 49 THR CB C 13 72.644 0.371 . 1 . . . A 158 THR CB . 11583 1 530 . 1 1 49 49 THR CG2 C 13 23.409 0.249 . 1 . . . A 158 THR CG2 . 11583 1 531 . 1 1 49 49 THR N N 15 110.415 0.2 . 1 . . . A 158 THR N . 11583 1 532 . 1 1 50 50 CYS H H 1 8.117 0.004 . 1 . . . A 159 CYS H . 11583 1 533 . 1 1 50 50 CYS HA H 1 4.86 0.042 . 1 . . . A 159 CYS HA . 11583 1 534 . 1 1 50 50 CYS HB2 H 1 3.476 0.003 . 1 . . . A 159 CYS HB2 . 11583 1 535 . 1 1 50 50 CYS HB3 H 1 2.596 0.007 . 1 . . . A 159 CYS HB3 . 11583 1 536 . 1 1 50 50 CYS C C 13 174.349 0.1 . 1 . . . A 159 CYS C . 11583 1 537 . 1 1 50 50 CYS CA C 13 55.909 0.073 . 1 . . . A 159 CYS CA . 11583 1 538 . 1 1 50 50 CYS CB C 13 37.082 0.166 . 1 . . . A 159 CYS CB . 11583 1 539 . 1 1 50 50 CYS N N 15 117.364 0.2 . 1 . . . A 159 CYS N . 11583 1 540 . 1 1 51 51 GLU H H 1 8.627 0.004 . 1 . . . A 160 GLU H . 11583 1 541 . 1 1 51 51 GLU HA H 1 4.368 0.021 . 1 . . . A 160 GLU HA . 11583 1 542 . 1 1 51 51 GLU HB2 H 1 1.823 0.015 . 2 . . . A 160 GLU HB2 . 11583 1 543 . 1 1 51 51 GLU HB3 H 1 1.823 0.015 . 2 . . . A 160 GLU HB3 . 11583 1 544 . 1 1 51 51 GLU HG2 H 1 2.304 0.008 . 2 . . . A 160 GLU HG2 . 11583 1 545 . 1 1 51 51 GLU HG3 H 1 2.304 0.008 . 2 . . . A 160 GLU HG3 . 11583 1 546 . 1 1 51 51 GLU C C 13 176.697 0.1 . 1 . . . A 160 GLU C . 11583 1 547 . 1 1 51 51 GLU CA C 13 55.753 0.132 . 1 . . . A 160 GLU CA . 11583 1 548 . 1 1 51 51 GLU CB C 13 31.825 0.08 . 1 . . . A 160 GLU CB . 11583 1 549 . 1 1 51 51 GLU CG C 13 33.83 0.1 . 1 . . . A 160 GLU CG . 11583 1 550 . 1 1 51 51 GLU N N 15 123.18 0.2 . 1 . . . A 160 GLU N . 11583 1 551 . 1 1 52 52 VAL H H 1 9.579 0.008 . 1 . . . A 161 VAL H . 11583 1 552 . 1 1 52 52 VAL HA H 1 5.01 0.009 . 1 . . . A 161 VAL HA . 11583 1 553 . 1 1 52 52 VAL HB H 1 1.759 0.016 . 1 . . . A 161 VAL HB . 11583 1 554 . 1 1 52 52 VAL HG11 H 1 0.862 0.003 . 1 . . . A 161 VAL HG11 . 11583 1 555 . 1 1 52 52 VAL HG12 H 1 0.862 0.003 . 1 . . . A 161 VAL HG12 . 11583 1 556 . 1 1 52 52 VAL HG13 H 1 0.862 0.003 . 1 . . . A 161 VAL HG13 . 11583 1 557 . 1 1 52 52 VAL HG21 H 1 0.828 0.011 . 1 . . . A 161 VAL HG21 . 11583 1 558 . 1 1 52 52 VAL HG22 H 1 0.828 0.011 . 1 . . . A 161 VAL HG22 . 11583 1 559 . 1 1 52 52 VAL HG23 H 1 0.828 0.011 . 1 . . . A 161 VAL HG23 . 11583 1 560 . 1 1 52 52 VAL C C 13 173.935 0.1 . 1 . . . A 161 VAL C . 11583 1 561 . 1 1 52 52 VAL CA C 13 59.091 0.068 . 1 . . . A 161 VAL CA . 11583 1 562 . 1 1 52 52 VAL CB C 13 36.017 0.419 . 1 . . . A 161 VAL CB . 11583 1 563 . 1 1 52 52 VAL CG1 C 13 19.581 0.076 . 1 . . . A 161 VAL CG1 . 11583 1 564 . 1 1 52 52 VAL CG2 C 13 22.222 0.287 . 1 . . . A 161 VAL CG2 . 11583 1 565 . 1 1 52 52 VAL N N 15 121.749 0.2 . 1 . . . A 161 VAL N . 11583 1 566 . 1 1 53 53 ALA H H 1 8.561 0.018 . 1 . . . A 162 ALA H . 11583 1 567 . 1 1 53 53 ALA HA H 1 5.121 0.009 . 1 . . . A 162 ALA HA . 11583 1 568 . 1 1 53 53 ALA HB1 H 1 1.258 0.009 . 1 . . . A 162 ALA HB1 . 11583 1 569 . 1 1 53 53 ALA HB2 H 1 1.258 0.009 . 1 . . . A 162 ALA HB2 . 11583 1 570 . 1 1 53 53 ALA HB3 H 1 1.258 0.009 . 1 . . . A 162 ALA HB3 . 11583 1 571 . 1 1 53 53 ALA C C 13 176.752 0.1 . 1 . . . A 162 ALA C . 11583 1 572 . 1 1 53 53 ALA CA C 13 51.005 0.287 . 1 . . . A 162 ALA CA . 11583 1 573 . 1 1 53 53 ALA CB C 13 18.083 0.062 . 1 . . . A 162 ALA CB . 11583 1 574 . 1 1 53 53 ALA N N 15 124.455 0.2 . 1 . . . A 162 ALA N . 11583 1 575 . 1 1 54 54 ALA H H 1 8.434 0.006 . 1 . . . A 163 ALA H . 11583 1 576 . 1 1 54 54 ALA HA H 1 4.55 0.011 . 1 . . . A 163 ALA HA . 11583 1 577 . 1 1 54 54 ALA HB1 H 1 1.254 0.015 . 1 . . . A 163 ALA HB1 . 11583 1 578 . 1 1 54 54 ALA HB2 H 1 1.254 0.015 . 1 . . . A 163 ALA HB2 . 11583 1 579 . 1 1 54 54 ALA HB3 H 1 1.254 0.015 . 1 . . . A 163 ALA HB3 . 11583 1 580 . 1 1 54 54 ALA C C 13 175.553 0.1 . 1 . . . A 163 ALA C . 11583 1 581 . 1 1 54 54 ALA CA C 13 51.243 0.078 . 1 . . . A 163 ALA CA . 11583 1 582 . 1 1 54 54 ALA CB C 13 22.712 0.266 . 1 . . . A 163 ALA CB . 11583 1 583 . 1 1 54 54 ALA N N 15 128.871 0.2 . 1 . . . A 163 ALA N . 11583 1 584 . 1 1 55 55 TRP H H 1 7.864 0.013 . 1 . . . A 164 TRP H . 11583 1 585 . 1 1 55 55 TRP HA H 1 4.424 0.004 . 1 . . . A 164 TRP HA . 11583 1 586 . 1 1 55 55 TRP HB2 H 1 2.987 0.014 . 1 . . . A 164 TRP HB2 . 11583 1 587 . 1 1 55 55 TRP HB3 H 1 2.749 0.014 . 1 . . . A 164 TRP HB3 . 11583 1 588 . 1 1 55 55 TRP HD1 H 1 7.229 0.006 . 1 . . . A 164 TRP HD1 . 11583 1 589 . 1 1 55 55 TRP HE1 H 1 10.007 0.034 . 1 . . . A 164 TRP HE1 . 11583 1 590 . 1 1 55 55 TRP HE3 H 1 7.012 0.003 . 1 . . . A 164 TRP HE3 . 11583 1 591 . 1 1 55 55 TRP HZ2 H 1 7.481 0.017 . 1 . . . A 164 TRP HZ2 . 11583 1 592 . 1 1 55 55 TRP HZ3 H 1 7.048 0.005 . 1 . . . A 164 TRP HZ3 . 11583 1 593 . 1 1 55 55 TRP HH2 H 1 7.22 0.02 . 1 . . . A 164 TRP HH2 . 11583 1 594 . 1 1 55 55 TRP C C 13 174.748 0.1 . 1 . . . A 164 TRP C . 11583 1 595 . 1 1 55 55 TRP CA C 13 58.15 0.109 . 1 . . . A 164 TRP CA . 11583 1 596 . 1 1 55 55 TRP CB C 13 27.478 0.362 . 1 . . . A 164 TRP CB . 11583 1 597 . 1 1 55 55 TRP CD1 C 13 127.024 0.1 . 1 . . . A 164 TRP CD1 . 11583 1 598 . 1 1 55 55 TRP CE3 C 13 119.461 0.1 . 1 . . . A 164 TRP CE3 . 11583 1 599 . 1 1 55 55 TRP CZ2 C 13 114.669 0.1 . 1 . . . A 164 TRP CZ2 . 11583 1 600 . 1 1 55 55 TRP CZ3 C 13 122.068 0.061 . 1 . . . A 164 TRP CZ3 . 11583 1 601 . 1 1 55 55 TRP CH2 C 13 124.718 0.136 . 1 . . . A 164 TRP CH2 . 11583 1 602 . 1 1 55 55 TRP N N 15 118.86 0.2 . 1 . . . A 164 TRP N . 11583 1 603 . 1 1 55 55 TRP NE1 N 15 128.873 0.2 . 1 . . . A 164 TRP NE1 . 11583 1 604 . 1 1 56 56 CYS H H 1 8.832 0.005 . 1 . . . A 165 CYS H . 11583 1 605 . 1 1 56 56 CYS HA H 1 4.703 0.009 . 1 . . . A 165 CYS HA . 11583 1 606 . 1 1 56 56 CYS HB2 H 1 3.063 0.014 . 1 . . . A 165 CYS HB2 . 11583 1 607 . 1 1 56 56 CYS HB3 H 1 2.758 0.008 . 1 . . . A 165 CYS HB3 . 11583 1 608 . 1 1 56 56 CYS CA C 13 54.796 0.077 . 1 . . . A 165 CYS CA . 11583 1 609 . 1 1 56 56 CYS CB C 13 44.424 0.08 . 1 . . . A 165 CYS CB . 11583 1 610 . 1 1 56 56 CYS N N 15 124.575 0.2 . 1 . . . A 165 CYS N . 11583 1 611 . 1 1 57 57 PRO HA H 1 4.396 0.01 . 1 . . . A 166 PRO HA . 11583 1 612 . 1 1 57 57 PRO HB2 H 1 2.277 0.02 . 1 . . . A 166 PRO HB2 . 11583 1 613 . 1 1 57 57 PRO HB3 H 1 1.914 0.005 . 1 . . . A 166 PRO HB3 . 11583 1 614 . 1 1 57 57 PRO HG2 H 1 2.172 0.017 . 1 . . . A 166 PRO HG2 . 11583 1 615 . 1 1 57 57 PRO HG3 H 1 1.985 0.014 . 1 . . . A 166 PRO HG3 . 11583 1 616 . 1 1 57 57 PRO HD2 H 1 3.833 0.036 . 1 . . . A 166 PRO HD2 . 11583 1 617 . 1 1 57 57 PRO HD3 H 1 3.7 0.008 . 1 . . . A 166 PRO HD3 . 11583 1 618 . 1 1 57 57 PRO C C 13 176.025 0.1 . 1 . . . A 166 PRO C . 11583 1 619 . 1 1 57 57 PRO CA C 13 63.333 0.17 . 1 . . . A 166 PRO CA . 11583 1 620 . 1 1 57 57 PRO CB C 13 32.037 0.104 . 1 . . . A 166 PRO CB . 11583 1 621 . 1 1 57 57 PRO CG C 13 27.754 0.196 . 1 . . . A 166 PRO CG . 11583 1 622 . 1 1 57 57 PRO CD C 13 50.787 0.153 . 1 . . . A 166 PRO CD . 11583 1 623 . 1 1 58 58 VAL H H 1 7.758 0.008 . 1 . . . A 167 VAL H . 11583 1 624 . 1 1 58 58 VAL HA H 1 4.032 0.007 . 1 . . . A 167 VAL HA . 11583 1 625 . 1 1 58 58 VAL HB H 1 2.055 0.011 . 1 . . . A 167 VAL HB . 11583 1 626 . 1 1 58 58 VAL HG11 H 1 0.886 0.008 . 1 . . . A 167 VAL HG11 . 11583 1 627 . 1 1 58 58 VAL HG12 H 1 0.886 0.008 . 1 . . . A 167 VAL HG12 . 11583 1 628 . 1 1 58 58 VAL HG13 H 1 0.886 0.008 . 1 . . . A 167 VAL HG13 . 11583 1 629 . 1 1 58 58 VAL HG21 H 1 0.915 0.01 . 1 . . . A 167 VAL HG21 . 11583 1 630 . 1 1 58 58 VAL HG22 H 1 0.915 0.01 . 1 . . . A 167 VAL HG22 . 11583 1 631 . 1 1 58 58 VAL HG23 H 1 0.915 0.01 . 1 . . . A 167 VAL HG23 . 11583 1 632 . 1 1 58 58 VAL CA C 13 63.339 0.1 . 1 . . . A 167 VAL CA . 11583 1 633 . 1 1 58 58 VAL CB C 13 32.955 0.449 . 1 . . . A 167 VAL CB . 11583 1 634 . 1 1 58 58 VAL CG1 C 13 20.648 0.1 . 1 . . . A 167 VAL CG1 . 11583 1 635 . 1 1 58 58 VAL CG2 C 13 20.621 0.1 . 1 . . . A 167 VAL CG2 . 11583 1 636 . 1 1 58 58 VAL N N 15 123.575 0.2 . 1 . . . A 167 VAL N . 11583 1 stop_ save_