data_36064 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36064 _Entry.Title ; Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-10 _Entry.Accession_date 2017-06-04 _Entry.Last_release_date 2017-06-04 _Entry.Original_release_date 2017-06-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 X. Liu X. . . . 36064 2 S. Zhang S. . . . 36064 3 J. Liu J. . . . 36064 4 C. Zhang C. X. . . 36064 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Drosophila . 36064 'GABAB receptor' . 36064 'SIGNALING PROTEIN' . 36064 coiled-coil . 36064 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36064 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 346 36064 '15N chemical shifts' 94 36064 '1H chemical shifts' 585 36064 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 . . 2018-03-12 . original BMRB . 36064 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5X9X 'BMRB Entry Tracking System' 36064 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36064 _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 heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 X. Liu X. . . . 36064 1 2 S. Zhang S. . . . 36064 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36064 _Assembly.ID 1 _Assembly.Name 'Metabotropic GABA-B receptor subtype 1, Metabotropic GABA-B receptor subtype 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 entity_1 1 $entity_1 A A yes . . . . . . 36064 1 2 entity_2 2 $entity_2 B B yes . . . . . . 36064 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36064 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Metabotropic GABA-B receptor subtype 1' _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 ; MDSKEDEERYQKLVTENEQL QRLITQKEEKIRVLRQRLVE RGDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Coiled coil domain, UNP residues 755-796' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5412.098 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 36064 1 2 2 ASP . 36064 1 3 3 SER . 36064 1 4 4 LYS . 36064 1 5 5 GLU . 36064 1 6 6 ASP . 36064 1 7 7 GLU . 36064 1 8 8 GLU . 36064 1 9 9 ARG . 36064 1 10 10 TYR . 36064 1 11 11 GLN . 36064 1 12 12 LYS . 36064 1 13 13 LEU . 36064 1 14 14 VAL . 36064 1 15 15 THR . 36064 1 16 16 GLU . 36064 1 17 17 ASN . 36064 1 18 18 GLU . 36064 1 19 19 GLN . 36064 1 20 20 LEU . 36064 1 21 21 GLN . 36064 1 22 22 ARG . 36064 1 23 23 LEU . 36064 1 24 24 ILE . 36064 1 25 25 THR . 36064 1 26 26 GLN . 36064 1 27 27 LYS . 36064 1 28 28 GLU . 36064 1 29 29 GLU . 36064 1 30 30 LYS . 36064 1 31 31 ILE . 36064 1 32 32 ARG . 36064 1 33 33 VAL . 36064 1 34 34 LEU . 36064 1 35 35 ARG . 36064 1 36 36 GLN . 36064 1 37 37 ARG . 36064 1 38 38 LEU . 36064 1 39 39 VAL . 36064 1 40 40 GLU . 36064 1 41 41 ARG . 36064 1 42 42 GLY . 36064 1 43 43 ASP . 36064 1 44 44 ALA . 36064 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 36064 1 . ASP 2 2 36064 1 . SER 3 3 36064 1 . LYS 4 4 36064 1 . GLU 5 5 36064 1 . ASP 6 6 36064 1 . GLU 7 7 36064 1 . GLU 8 8 36064 1 . ARG 9 9 36064 1 . TYR 10 10 36064 1 . GLN 11 11 36064 1 . LYS 12 12 36064 1 . LEU 13 13 36064 1 . VAL 14 14 36064 1 . THR 15 15 36064 1 . GLU 16 16 36064 1 . ASN 17 17 36064 1 . GLU 18 18 36064 1 . GLN 19 19 36064 1 . LEU 20 20 36064 1 . GLN 21 21 36064 1 . ARG 22 22 36064 1 . LEU 23 23 36064 1 . ILE 24 24 36064 1 . THR 25 25 36064 1 . GLN 26 26 36064 1 . LYS 27 27 36064 1 . GLU 28 28 36064 1 . GLU 29 29 36064 1 . LYS 30 30 36064 1 . ILE 31 31 36064 1 . ARG 32 32 36064 1 . VAL 33 33 36064 1 . LEU 34 34 36064 1 . ARG 35 35 36064 1 . GLN 36 36 36064 1 . ARG 37 37 36064 1 . LEU 38 38 36064 1 . VAL 39 39 36064 1 . GLU 40 40 36064 1 . ARG 41 41 36064 1 . GLY 42 42 36064 1 . ASP 43 43 36064 1 . ALA 44 44 36064 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 36064 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Metabotropic GABA-B receptor subtype 2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSSVSELEQRLRDVKNT NSRFRKALMEKENELQALIR KLGPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'coiled coil domain, UNP residues 740-780' _Entity.Mutation C102S,C116S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5147.888 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'GABAB receptor 2' na 36064 2 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 95 GLY . 36064 2 2 96 PRO . 36064 2 3 97 LEU . 36064 2 4 98 GLY . 36064 2 5 99 SER . 36064 2 6 100 SER . 36064 2 7 101 VAL . 36064 2 8 102 SER . 36064 2 9 103 GLU . 36064 2 10 104 LEU . 36064 2 11 105 GLU . 36064 2 12 106 GLN . 36064 2 13 107 ARG . 36064 2 14 108 LEU . 36064 2 15 109 ARG . 36064 2 16 110 ASP . 36064 2 17 111 VAL . 36064 2 18 112 LYS . 36064 2 19 113 ASN . 36064 2 20 114 THR . 36064 2 21 115 ASN . 36064 2 22 116 SER . 36064 2 23 117 ARG . 36064 2 24 118 PHE . 36064 2 25 119 ARG . 36064 2 26 120 LYS . 36064 2 27 121 ALA . 36064 2 28 122 LEU . 36064 2 29 123 MET . 36064 2 30 124 GLU . 36064 2 31 125 LYS . 36064 2 32 126 GLU . 36064 2 33 127 ASN . 36064 2 34 128 GLU . 36064 2 35 129 LEU . 36064 2 36 130 GLN . 36064 2 37 131 ALA . 36064 2 38 132 LEU . 36064 2 39 133 ILE . 36064 2 40 134 ARG . 36064 2 41 135 LYS . 36064 2 42 136 LEU . 36064 2 43 137 GLY . 36064 2 44 138 PRO . 36064 2 45 139 GLU . 36064 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 36064 2 . PRO 2 2 36064 2 . LEU 3 3 36064 2 . GLY 4 4 36064 2 . SER 5 5 36064 2 . SER 6 6 36064 2 . VAL 7 7 36064 2 . SER 8 8 36064 2 . GLU 9 9 36064 2 . LEU 10 10 36064 2 . GLU 11 11 36064 2 . GLN 12 12 36064 2 . ARG 13 13 36064 2 . LEU 14 14 36064 2 . ARG 15 15 36064 2 . ASP 16 16 36064 2 . VAL 17 17 36064 2 . LYS 18 18 36064 2 . ASN 19 19 36064 2 . THR 20 20 36064 2 . ASN 21 21 36064 2 . SER 22 22 36064 2 . ARG 23 23 36064 2 . PHE 24 24 36064 2 . ARG 25 25 36064 2 . LYS 26 26 36064 2 . ALA 27 27 36064 2 . LEU 28 28 36064 2 . MET 29 29 36064 2 . GLU 30 30 36064 2 . LYS 31 31 36064 2 . GLU 32 32 36064 2 . ASN 33 33 36064 2 . GLU 34 34 36064 2 . LEU 35 35 36064 2 . GLN 36 36 36064 2 . ALA 37 37 36064 2 . LEU 38 38 36064 2 . ILE 39 39 36064 2 . ARG 40 40 36064 2 . LYS 41 41 36064 2 . LEU 42 42 36064 2 . GLY 43 43 36064 2 . PRO 44 44 36064 2 . GLU 45 45 36064 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36064 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . 'GABA-B-R1, CG15274' . 36064 1 2 2 $entity_2 . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . 'GABA-B-R2, CG6706' . 36064 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 36064 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 36064 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 36064 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36064 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM PBS, 100 mM NaCl, 0.02 mg/mL NaN3, 0.8 mM [U-99% 15N] coiled-coil domain of Drosophila GABAB receptor 1, 0.8 mM [U-99% 15N] coiled-coil domain of Drosophila GABAB receptor 2, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 36064 1 2 NaN3 'natural abundance' . . . . . . 0.02 . . mg/mL . . . . 36064 1 3 PBS 'natural abundance' . . . . . buffer 20 . . mM . . . . 36064 1 4 'coiled-coil domain of Drosophila GABAB receptor 1' '[U-99% 15N]' . . 1 $entity_1 . protein 0.8 . . mM . . . . 36064 1 5 'coiled-coil domain of Drosophila GABAB receptor 2' '[U-99% 15N]' . . 2 $entity_2 . protein 0.8 . . mM . . . . 36064 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36064 1 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36064 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36064 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM PBS, 100 mM NaCl, 0.02 mg/mL NaN3, 0.7 mM [U-13C; U-15N] coiled-coil domain of Drosophila GABAB receptor 1, 0.7 mM [U-13C; U-15N] coiled-coil domain of Drosophila GABAB receptor 2, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 36064 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . mg/mL . . . . 36064 2 3 PBS 'natural abundance' . . . . . buffer 20 . . mM . . . . 36064 2 4 'coiled-coil domain of Drosophila GABAB receptor 1' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.7 . . mM . . . . 36064 2 5 'coiled-coil domain of Drosophila GABAB receptor 2' '[U-13C; U-15N]' . . 1 $entity_2 . protein 0.7 . . mM . . . . 36064 2 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36064 2 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36064 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36064 _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 36064 1 pH 7.0 . pH 36064 1 pressure 1 . atm 36064 1 temperature 293 . K 36064 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36064 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 36064 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36064 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36064 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version 1.2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 36064 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36064 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36064 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 36064 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36064 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36064 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36064 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36064 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36064 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'DD2 600' _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 36064 _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 NMR_spectrometer_1 Agilent 'DD2 600' . 600 . . . 36064 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 36064 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36064 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36064 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36064 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36064 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36064 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36064 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36064 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36064 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36064 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36064 1 11 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36064 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36064 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36064 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36064 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36064 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36064 _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 $chem_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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36064 1 2 '2D 1H-15N HSQC' 2 $sample_2 isotropic 36064 1 3 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 36064 1 4 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36064 1 5 '3D HNCACB' 2 $sample_2 isotropic 36064 1 6 '3D HBHA(CO)NH' 2 $sample_2 isotropic 36064 1 7 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36064 1 8 '3D 1H-13C NOESY' 2 $sample_2 isotropic 36064 1 9 '3D CCH-TOCSY' 2 $sample_2 isotropic 36064 1 10 '3D HCCH-TOCSY' 2 $sample_2 isotropic 36064 1 11 '3D HNCO' 2 $sample_2 isotropic 36064 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.728 0.002 . 1 . . 585 . A 2 ASP HA . 36064 1 2 . 1 1 2 2 ASP HB2 H 1 2.658 0.004 . 2 . . 586 . A 2 ASP HB2 . 36064 1 3 . 1 1 2 2 ASP HB3 H 1 2.739 0.005 . 2 . . 587 . A 2 ASP HB3 . 36064 1 4 . 1 1 2 2 ASP C C 13 175.890 . . 1 . . 21 . A 2 ASP C . 36064 1 5 . 1 1 2 2 ASP CA C 13 54.344 0.007 . 1 . . 219 . A 2 ASP CA . 36064 1 6 . 1 1 2 2 ASP CB C 13 41.739 0.041 . 1 . . 218 . A 2 ASP CB . 36064 1 7 . 1 1 3 3 SER H H 1 8.747 0.003 . 1 . . 20 . A 3 SER H . 36064 1 8 . 1 1 3 3 SER HA H 1 4.517 0.006 . 1 . . 912 . A 3 SER HA . 36064 1 9 . 1 1 3 3 SER HB2 H 1 3.922 0.007 . 2 . . 583 . A 3 SER HB2 . 36064 1 10 . 1 1 3 3 SER HB3 H 1 4.055 0.007 . 2 . . 584 . A 3 SER HB3 . 36064 1 11 . 1 1 3 3 SER C C 13 175.267 . . 1 . . 47 . A 3 SER C . 36064 1 12 . 1 1 3 3 SER CA C 13 58.502 0.026 . 1 . . 233 . A 3 SER CA . 36064 1 13 . 1 1 3 3 SER CB C 13 63.935 0.092 . 1 . . 299 . A 3 SER CB . 36064 1 14 . 1 1 3 3 SER N N 15 117.837 0.039 . 1 . . 22 . A 3 SER N . 36064 1 15 . 1 1 4 4 LYS H H 1 8.586 0.001 . 1 . . 46 . A 4 LYS H . 36064 1 16 . 1 1 4 4 LYS HA H 1 4.190 0.004 . 1 . . 582 . A 4 LYS HA . 36064 1 17 . 1 1 4 4 LYS HB2 H 1 1.883 0.005 . 1 . . 580 . A 4 LYS HB2 . 36064 1 18 . 1 1 4 4 LYS HG2 H 1 1.442 0.006 . 2 . . 719 . A 4 LYS HG2 . 36064 1 19 . 1 1 4 4 LYS HG3 H 1 1.495 0.011 . 2 . . 720 . A 4 LYS HG3 . 36064 1 20 . 1 1 4 4 LYS HD2 H 1 1.706 0.003 . 1 . . 721 . A 4 LYS HD2 . 36064 1 21 . 1 1 4 4 LYS HE2 H 1 3.003 0.004 . 1 . . 718 . A 4 LYS HE2 . 36064 1 22 . 1 1 4 4 LYS C C 13 178.404 . . 1 . . 389 . A 4 LYS C . 36064 1 23 . 1 1 4 4 LYS CA C 13 58.589 0.072 . 1 . . 390 . A 4 LYS CA . 36064 1 24 . 1 1 4 4 LYS CB C 13 32.379 0.046 . 1 . . 298 . A 4 LYS CB . 36064 1 25 . 1 1 4 4 LYS CG C 13 24.797 0.073 . 1 . . 715 . A 4 LYS CG . 36064 1 26 . 1 1 4 4 LYS CD C 13 29.184 0.042 . 1 . . 716 . A 4 LYS CD . 36064 1 27 . 1 1 4 4 LYS CE C 13 42.153 0.01 . 1 . . 717 . A 4 LYS CE . 36064 1 28 . 1 1 4 4 LYS N N 15 124.243 0.057 . 1 . . 48 . A 4 LYS N . 36064 1 29 . 1 1 5 5 GLU H H 1 8.520 0.002 . 1 . . 133 . A 5 GLU H . 36064 1 30 . 1 1 5 5 GLU HA H 1 4.143 . . 1 . . 581 . A 5 GLU HA . 36064 1 31 . 1 1 5 5 GLU HB2 H 1 2.032 0.004 . 1 . . 577 . A 5 GLU HB2 . 36064 1 32 . 1 1 5 5 GLU HG2 H 1 2.321 0.001 . 1 . . 825 . A 5 GLU HG2 . 36064 1 33 . 1 1 5 5 GLU CA C 13 58.883 . . 1 . . 317 . A 5 GLU CA . 36064 1 34 . 1 1 5 5 GLU CB C 13 29.322 0.027 . 1 . . 274 . A 5 GLU CB . 36064 1 35 . 1 1 5 5 GLU CG C 13 36.748 0.037 . 1 . . 824 . A 5 GLU CG . 36064 1 36 . 1 1 5 5 GLU N N 15 119.919 0.032 . 1 . . 134 . A 5 GLU N . 36064 1 37 . 1 1 6 6 ASP H H 1 8.089 0.005 . 1 . . 61 . A 6 ASP H . 36064 1 38 . 1 1 6 6 ASP HA H 1 4.558 0.001 . 1 . . 588 . A 6 ASP HA . 36064 1 39 . 1 1 6 6 ASP HB2 H 1 2.803 0.005 . 2 . . 578 . A 6 ASP HB2 . 36064 1 40 . 1 1 6 6 ASP HB3 H 1 2.575 0.004 . 2 . . 579 . A 6 ASP HB3 . 36064 1 41 . 1 1 6 6 ASP CA C 13 56.951 0.004 . 1 . . 242 . A 6 ASP CA . 36064 1 42 . 1 1 6 6 ASP CB C 13 40.774 0.085 . 1 . . 241 . A 6 ASP CB . 36064 1 43 . 1 1 6 6 ASP N N 15 121.182 0.038 . 1 . . 62 . A 6 ASP N . 36064 1 44 . 1 1 7 7 GLU H H 1 8.193 0.004 . 1 . . 394 . A 7 GLU H . 36064 1 45 . 1 1 7 7 GLU HA H 1 4.217 0.004 . 1 . . 589 . A 7 GLU HA . 36064 1 46 . 1 1 7 7 GLU HB2 H 1 2.157 0.005 . 2 . . 916 . A 7 GLU HB2 . 36064 1 47 . 1 1 7 7 GLU HB3 H 1 2.352 0.009 . 2 . . 934 . A 7 GLU HB3 . 36064 1 48 . 1 1 7 7 GLU N N 15 121.194 0.045 . 1 . . 395 . A 7 GLU N . 36064 1 49 . 1 1 8 8 GLU H H 1 8.178 0.001 . 1 . . 591 . A 8 GLU H . 36064 1 50 . 1 1 8 8 GLU HA H 1 4.126 0.003 . 1 . . 576 . A 8 GLU HA . 36064 1 51 . 1 1 8 8 GLU HB2 H 1 2.174 0.0 . 1 . . 917 . A 8 GLU HB2 . 36064 1 52 . 1 1 8 8 GLU HG2 H 1 2.454 0.0 . 1 . . 918 . A 8 GLU HG2 . 36064 1 53 . 1 1 8 8 GLU C C 13 178.200 . . 1 . . 910 . A 8 GLU C . 36064 1 54 . 1 1 8 8 GLU N N 15 119.882 0.119 . 1 . . 590 . A 8 GLU N . 36064 1 55 . 1 1 9 9 ARG H H 1 8.178 0.004 . 1 . . 568 . A 9 ARG H . 36064 1 56 . 1 1 9 9 ARG HA H 1 4.015 0.003 . 1 . . 903 . A 9 ARG HA . 36064 1 57 . 1 1 9 9 ARG HB2 H 1 1.993 0.008 . 2 . . 904 . A 9 ARG HB2 . 36064 1 58 . 1 1 9 9 ARG HB3 H 1 2.085 0.007 . 2 . . 905 . A 9 ARG HB3 . 36064 1 59 . 1 1 9 9 ARG HG2 H 1 1.678 0.007 . 2 . . 900 . A 9 ARG HG2 . 36064 1 60 . 1 1 9 9 ARG HG3 H 1 1.829 0.005 . 2 . . 901 . A 9 ARG HG3 . 36064 1 61 . 1 1 9 9 ARG HD2 H 1 3.263 . . 1 . . 906 . A 9 ARG HD2 . 36064 1 62 . 1 1 9 9 ARG C C 13 178.650 . . 1 . . 129 . A 9 ARG C . 36064 1 63 . 1 1 9 9 ARG CA C 13 59.668 0.072 . 1 . . 316 . A 9 ARG CA . 36064 1 64 . 1 1 9 9 ARG CB C 13 30.150 0.036 . 1 . . 315 . A 9 ARG CB . 36064 1 65 . 1 1 9 9 ARG CG C 13 27.781 0.048 . 1 . . 902 . A 9 ARG CG . 36064 1 66 . 1 1 9 9 ARG CD C 13 43.503 . . 1 . . 907 . A 9 ARG CD . 36064 1 67 . 1 1 9 9 ARG N N 15 120.841 0.036 . 1 . . 567 . A 9 ARG N . 36064 1 68 . 1 1 10 10 TYR H H 1 8.285 0.004 . 1 . . 128 . A 10 TYR H . 36064 1 69 . 1 1 10 10 TYR HA H 1 3.994 0.008 . 1 . . 572 . A 10 TYR HA . 36064 1 70 . 1 1 10 10 TYR HB2 H 1 3.363 0.002 . 2 . . 573 . A 10 TYR HB2 . 36064 1 71 . 1 1 10 10 TYR HB3 H 1 3.045 0.003 . 2 . . 574 . A 10 TYR HB3 . 36064 1 72 . 1 1 10 10 TYR HD1 H 1 6.979 0.005 . 1 . . 386 . A 10 TYR HD1 . 36064 1 73 . 1 1 10 10 TYR HD2 H 1 6.979 0.005 . 1 . . 386 . A 10 TYR HD2 . 36064 1 74 . 1 1 10 10 TYR HE1 H 1 6.779 0.003 . 1 . . 919 . A 10 TYR HE1 . 36064 1 75 . 1 1 10 10 TYR HE2 H 1 6.779 0.003 . 1 . . 919 . A 10 TYR HE2 . 36064 1 76 . 1 1 10 10 TYR C C 13 175.986 . . 1 . . 391 . A 10 TYR C . 36064 1 77 . 1 1 10 10 TYR CA C 13 62.089 0.048 . 1 . . 313 . A 10 TYR CA . 36064 1 78 . 1 1 10 10 TYR CB C 13 37.974 0.054 . 1 . . 314 . A 10 TYR CB . 36064 1 79 . 1 1 10 10 TYR N N 15 119.651 0.036 . 1 . . 130 . A 10 TYR N . 36064 1 80 . 1 1 11 11 GLN H H 1 8.277 0.003 . 1 . . 10 . A 11 GLN H . 36064 1 81 . 1 1 11 11 GLN HA H 1 3.758 0.005 . 1 . . 571 . A 11 GLN HA . 36064 1 82 . 1 1 11 11 GLN HB2 H 1 2.200 0.005 . 1 . . 575 . A 11 GLN HB2 . 36064 1 83 . 1 1 11 11 GLN HG2 H 1 2.642 0.005 . 1 . . 784 . A 11 GLN HG2 . 36064 1 84 . 1 1 11 11 GLN HE21 H 1 6.955 0.004 . 1 . . 785 . A 11 GLN HE21 . 36064 1 85 . 1 1 11 11 GLN HE22 H 1 7.745 0.004 . 1 . . 786 . A 11 GLN HE22 . 36064 1 86 . 1 1 11 11 GLN C C 13 178.972 . . 1 . . 39 . A 11 GLN C . 36064 1 87 . 1 1 11 11 GLN CA C 13 58.448 0.056 . 1 . . 210 . A 11 GLN CA . 36064 1 88 . 1 1 11 11 GLN CB C 13 27.901 0.063 . 1 . . 782 . A 11 GLN CB . 36064 1 89 . 1 1 11 11 GLN CG C 13 33.470 0.026 . 1 . . 783 . A 11 GLN CG . 36064 1 90 . 1 1 11 11 GLN N N 15 117.440 0.042 . 1 . . 11 . A 11 GLN N . 36064 1 91 . 1 1 11 11 GLN NE2 N 15 112.224 0.024 . 1 . . 799 . A 11 GLN NE2 . 36064 1 92 . 1 1 12 12 LYS H H 1 8.184 0.006 . 1 . . 38 . A 12 LYS H . 36064 1 93 . 1 1 12 12 LYS HA H 1 4.028 0.009 . 1 . . 570 . A 12 LYS HA . 36064 1 94 . 1 1 12 12 LYS HB2 H 1 1.944 0.005 . 1 . . 569 . A 12 LYS HB2 . 36064 1 95 . 1 1 12 12 LYS HG2 H 1 1.627 . . 2 . . 760 . A 12 LYS HG2 . 36064 1 96 . 1 1 12 12 LYS HG3 H 1 1.433 0.005 . 2 . . 762 . A 12 LYS HG3 . 36064 1 97 . 1 1 12 12 LYS HD2 H 1 1.680 0.001 . 1 . . 763 . A 12 LYS HD2 . 36064 1 98 . 1 1 12 12 LYS HE2 H 1 2.984 0.008 . 1 . . 722 . A 12 LYS HE2 . 36064 1 99 . 1 1 12 12 LYS CA C 13 59.527 0.066 . 1 . . 300 . A 12 LYS CA . 36064 1 100 . 1 1 12 12 LYS CB C 13 32.500 0.036 . 1 . . 297 . A 12 LYS CB . 36064 1 101 . 1 1 12 12 LYS CG C 13 25.573 0.006 . 1 . . 761 . A 12 LYS CG . 36064 1 102 . 1 1 12 12 LYS CD C 13 29.409 . . 1 . . 764 . A 12 LYS CD . 36064 1 103 . 1 1 12 12 LYS CE C 13 42.246 . . 1 . . 723 . A 12 LYS CE . 36064 1 104 . 1 1 12 12 LYS N N 15 119.663 0.027 . 1 . . 40 . A 12 LYS N . 36064 1 105 . 1 1 13 13 LEU H H 1 7.825 0.004 . 1 . . 192 . A 13 LEU H . 36064 1 106 . 1 1 13 13 LEU HA H 1 4.003 0.007 . 1 . . 566 . A 13 LEU HA . 36064 1 107 . 1 1 13 13 LEU HB2 H 1 1.104 0.01 . 2 . . 565 . A 13 LEU HB2 . 36064 1 108 . 1 1 13 13 LEU HB3 H 1 1.968 0.008 . 2 . . 698 . A 13 LEU HB3 . 36064 1 109 . 1 1 13 13 LEU HG H 1 1.683 0.006 . 1 . . 703 . A 13 LEU HG . 36064 1 110 . 1 1 13 13 LEU HD11 H 1 0.823 0.005 . 2 . . 699 . A 13 LEU HD11 . 36064 1 111 . 1 1 13 13 LEU HD12 H 1 0.823 0.005 . 2 . . 699 . A 13 LEU HD12 . 36064 1 112 . 1 1 13 13 LEU HD13 H 1 0.823 0.005 . 2 . . 699 . A 13 LEU HD13 . 36064 1 113 . 1 1 13 13 LEU HD21 H 1 0.801 0.005 . 2 . . 701 . A 13 LEU HD21 . 36064 1 114 . 1 1 13 13 LEU HD22 H 1 0.801 0.005 . 2 . . 701 . A 13 LEU HD22 . 36064 1 115 . 1 1 13 13 LEU HD23 H 1 0.801 0.005 . 2 . . 701 . A 13 LEU HD23 . 36064 1 116 . 1 1 13 13 LEU C C 13 178.500 . . 1 . . 16 . A 13 LEU C . 36064 1 117 . 1 1 13 13 LEU CA C 13 58.172 0.039 . 1 . . 293 . A 13 LEU CA . 36064 1 118 . 1 1 13 13 LEU CB C 13 42.537 0.088 . 1 . . 215 . A 13 LEU CB . 36064 1 119 . 1 1 13 13 LEU CG C 13 27.892 . . 1 . . 702 . A 13 LEU CG . 36064 1 120 . 1 1 13 13 LEU CD1 C 13 26.792 0.046 . 2 . . 704 . A 13 LEU CD1 . 36064 1 121 . 1 1 13 13 LEU CD2 C 13 23.441 0.059 . 2 . . 700 . A 13 LEU CD2 . 36064 1 122 . 1 1 13 13 LEU N N 15 121.567 0.047 . 1 . . 191 . A 13 LEU N . 36064 1 123 . 1 1 14 14 VAL H H 1 8.173 0.003 . 1 . . 15 . A 14 VAL H . 36064 1 124 . 1 1 14 14 VAL HA H 1 3.472 0.004 . 1 . . 560 . A 14 VAL HA . 36064 1 125 . 1 1 14 14 VAL HB H 1 1.945 0.003 . 1 . . 561 . A 14 VAL HB . 36064 1 126 . 1 1 14 14 VAL HG11 H 1 0.532 0.003 . 2 . . 564 . A 14 VAL HG11 . 36064 1 127 . 1 1 14 14 VAL HG12 H 1 0.532 0.003 . 2 . . 564 . A 14 VAL HG12 . 36064 1 128 . 1 1 14 14 VAL HG13 H 1 0.532 0.003 . 2 . . 564 . A 14 VAL HG13 . 36064 1 129 . 1 1 14 14 VAL HG21 H 1 0.860 0.004 . 2 . . 636 . A 14 VAL HG21 . 36064 1 130 . 1 1 14 14 VAL HG22 H 1 0.860 0.004 . 2 . . 636 . A 14 VAL HG22 . 36064 1 131 . 1 1 14 14 VAL HG23 H 1 0.860 0.004 . 2 . . 636 . A 14 VAL HG23 . 36064 1 132 . 1 1 14 14 VAL C C 13 179.606 . . 1 . . 42 . A 14 VAL C . 36064 1 133 . 1 1 14 14 VAL CA C 13 67.264 0.065 . 1 . . 228 . A 14 VAL CA . 36064 1 134 . 1 1 14 14 VAL CB C 13 31.604 0.039 . 1 . . 229 . A 14 VAL CB . 36064 1 135 . 1 1 14 14 VAL CG1 C 13 22.935 0.033 . 2 . . 634 . A 14 VAL CG1 . 36064 1 136 . 1 1 14 14 VAL CG2 C 13 21.272 0.022 . 2 . . 635 . A 14 VAL CG2 . 36064 1 137 . 1 1 14 14 VAL N N 15 120.827 0.043 . 1 . . 17 . A 14 VAL N . 36064 1 138 . 1 1 15 15 THR H H 1 8.003 0.003 . 1 . . 41 . A 15 THR H . 36064 1 139 . 1 1 15 15 THR HA H 1 3.983 0.005 . 1 . . 559 . A 15 THR HA . 36064 1 140 . 1 1 15 15 THR HB H 1 4.220 0.004 . 1 . . 562 . A 15 THR HB . 36064 1 141 . 1 1 15 15 THR HG21 H 1 1.280 0.005 . 1 . . 563 . A 15 THR HG21 . 36064 1 142 . 1 1 15 15 THR HG22 H 1 1.280 0.005 . 1 . . 563 . A 15 THR HG22 . 36064 1 143 . 1 1 15 15 THR HG23 H 1 1.280 0.005 . 1 . . 563 . A 15 THR HG23 . 36064 1 144 . 1 1 15 15 THR C C 13 176.901 . . 1 . . 36 . A 15 THR C . 36064 1 145 . 1 1 15 15 THR CA C 13 66.672 0.043 . 1 . . 231 . A 15 THR CA . 36064 1 146 . 1 1 15 15 THR CB C 13 68.821 0.081 . 1 . . 230 . A 15 THR CB . 36064 1 147 . 1 1 15 15 THR CG2 C 13 21.944 0.096 . 1 . . 623 . A 15 THR CG2 . 36064 1 148 . 1 1 15 15 THR N N 15 116.796 0.03 . 1 . . 43 . A 15 THR N . 36064 1 149 . 1 1 16 16 GLU H H 1 8.325 0.005 . 1 . . 35 . A 16 GLU H . 36064 1 150 . 1 1 16 16 GLU HA H 1 4.048 0.007 . 1 . . 558 . A 16 GLU HA . 36064 1 151 . 1 1 16 16 GLU HB2 H 1 2.177 0.009 . 2 . . 556 . A 16 GLU HB2 . 36064 1 152 . 1 1 16 16 GLU HB3 H 1 2.029 0.007 . 2 . . 557 . A 16 GLU HB3 . 36064 1 153 . 1 1 16 16 GLU HG2 H 1 2.426 0.002 . 2 . . 827 . A 16 GLU HG2 . 36064 1 154 . 1 1 16 16 GLU HG3 H 1 2.088 0.006 . 2 . . 828 . A 16 GLU HG3 . 36064 1 155 . 1 1 16 16 GLU C C 13 178.601 . . 1 . . 148 . A 16 GLU C . 36064 1 156 . 1 1 16 16 GLU CA C 13 59.805 0.091 . 1 . . 227 . A 16 GLU CA . 36064 1 157 . 1 1 16 16 GLU CB C 13 30.006 0.092 . 1 . . 296 . A 16 GLU CB . 36064 1 158 . 1 1 16 16 GLU CG C 13 37.352 0.059 . 1 . . 826 . A 16 GLU CG . 36064 1 159 . 1 1 16 16 GLU N N 15 123.686 0.04 . 1 . . 37 . A 16 GLU N . 36064 1 160 . 1 1 17 17 ASN H H 1 8.996 0.003 . 1 . . 147 . A 17 ASN H . 36064 1 161 . 1 1 17 17 ASN HA H 1 4.596 0.003 . 1 . . 412 . A 17 ASN HA . 36064 1 162 . 1 1 17 17 ASN HB2 H 1 2.859 0.003 . 2 . . 554 . A 17 ASN HB2 . 36064 1 163 . 1 1 17 17 ASN HB3 H 1 3.206 0.0 . 2 . . 555 . A 17 ASN HB3 . 36064 1 164 . 1 1 17 17 ASN C C 13 177.870 . . 1 . . 81 . A 17 ASN C . 36064 1 165 . 1 1 17 17 ASN CA C 13 56.094 0.055 . 1 . . 325 . A 17 ASN CA . 36064 1 166 . 1 1 17 17 ASN CB C 13 36.944 0.037 . 1 . . 326 . A 17 ASN CB . 36064 1 167 . 1 1 17 17 ASN N N 15 120.373 0.042 . 1 . . 149 . A 17 ASN N . 36064 1 168 . 1 1 18 18 GLU H H 1 7.911 0.006 . 1 . . 80 . A 18 GLU H . 36064 1 169 . 1 1 18 18 GLU HA H 1 4.088 0.01 . 1 . . 440 . A 18 GLU HA . 36064 1 170 . 1 1 18 18 GLU HB2 H 1 2.132 0.011 . 2 . . 444 . A 18 GLU HB2 . 36064 1 171 . 1 1 18 18 GLU HB3 H 1 2.290 0.005 . 2 . . 445 . A 18 GLU HB3 . 36064 1 172 . 1 1 18 18 GLU HG2 H 1 2.531 0.005 . 2 . . 829 . A 18 GLU HG2 . 36064 1 173 . 1 1 18 18 GLU HG3 H 1 2.284 0.003 . 2 . . 831 . A 18 GLU HG3 . 36064 1 174 . 1 1 18 18 GLU CA C 13 59.718 0.053 . 1 . . 306 . A 18 GLU CA . 36064 1 175 . 1 1 18 18 GLU CB C 13 29.404 0.07 . 1 . . 248 . A 18 GLU CB . 36064 1 176 . 1 1 18 18 GLU CG C 13 36.411 0.031 . 1 . . 830 . A 18 GLU CG . 36064 1 177 . 1 1 18 18 GLU N N 15 120.666 0.037 . 1 . . 82 . A 18 GLU N . 36064 1 178 . 1 1 19 19 GLN H H 1 7.813 0.004 . 1 . . 168 . A 19 GLN H . 36064 1 179 . 1 1 19 19 GLN HA H 1 4.086 0.011 . 1 . . 553 . A 19 GLN HA . 36064 1 180 . 1 1 19 19 GLN HB2 H 1 2.202 0.007 . 2 . . 551 . A 19 GLN HB2 . 36064 1 181 . 1 1 19 19 GLN HB3 H 1 2.329 0.007 . 2 . . 552 . A 19 GLN HB3 . 36064 1 182 . 1 1 19 19 GLN HG2 H 1 2.439 0.008 . 2 . . 794 . A 19 GLN HG2 . 36064 1 183 . 1 1 19 19 GLN HG3 H 1 2.505 0.016 . 2 . . 795 . A 19 GLN HG3 . 36064 1 184 . 1 1 19 19 GLN HE21 H 1 7.409 0.005 . 1 . . 796 . A 19 GLN HE21 . 36064 1 185 . 1 1 19 19 GLN HE22 H 1 6.888 0.003 . 1 . . 798 . A 19 GLN HE22 . 36064 1 186 . 1 1 19 19 GLN C C 13 179.135 . . 1 . . 354 . A 19 GLN C . 36064 1 187 . 1 1 19 19 GLN CA C 13 58.658 0.13 . 1 . . 331 . A 19 GLN CA . 36064 1 188 . 1 1 19 19 GLN CB C 13 27.823 0.055 . 1 . . 332 . A 19 GLN CB . 36064 1 189 . 1 1 19 19 GLN CG C 13 33.437 0.058 . 1 . . 800 . A 19 GLN CG . 36064 1 190 . 1 1 19 19 GLN N N 15 120.015 0.039 . 1 . . 167 . A 19 GLN N . 36064 1 191 . 1 1 19 19 GLN NE2 N 15 111.507 0.036 . 1 . . 797 . A 19 GLN NE2 . 36064 1 192 . 1 1 20 20 LEU H H 1 9.015 0.004 . 1 . . 95 . A 20 LEU H . 36064 1 193 . 1 1 20 20 LEU HA H 1 4.010 0.002 . 1 . . 550 . A 20 LEU HA . 36064 1 194 . 1 1 20 20 LEU HB2 H 1 1.211 0.007 . 2 . . 548 . A 20 LEU HB2 . 36064 1 195 . 1 1 20 20 LEU HB3 H 1 2.217 0.0 . 2 . . 935 . A 20 LEU HB3 . 36064 1 196 . 1 1 20 20 LEU HG H 1 2.012 0.006 . 1 . . 709 . A 20 LEU HG . 36064 1 197 . 1 1 20 20 LEU HD11 H 1 1.094 0.003 . 2 . . 706 . A 20 LEU HD11 . 36064 1 198 . 1 1 20 20 LEU HD12 H 1 1.094 0.003 . 2 . . 706 . A 20 LEU HD12 . 36064 1 199 . 1 1 20 20 LEU HD13 H 1 1.094 0.003 . 2 . . 706 . A 20 LEU HD13 . 36064 1 200 . 1 1 20 20 LEU HD21 H 1 0.890 0.005 . 2 . . 708 . A 20 LEU HD21 . 36064 1 201 . 1 1 20 20 LEU HD22 H 1 0.890 0.005 . 2 . . 708 . A 20 LEU HD22 . 36064 1 202 . 1 1 20 20 LEU HD23 H 1 0.890 0.005 . 2 . . 708 . A 20 LEU HD23 . 36064 1 203 . 1 1 20 20 LEU CA C 13 58.342 0.077 . 1 . . 309 . A 20 LEU CA . 36064 1 204 . 1 1 20 20 LEU CB C 13 42.608 0.063 . 1 . . 254 . A 20 LEU CB . 36064 1 205 . 1 1 20 20 LEU CG C 13 27.252 0.049 . 1 . . 710 . A 20 LEU CG . 36064 1 206 . 1 1 20 20 LEU CD1 C 13 27.597 0.047 . 2 . . 705 . A 20 LEU CD1 . 36064 1 207 . 1 1 20 20 LEU CD2 C 13 23.548 0.021 . 2 . . 707 . A 20 LEU CD2 . 36064 1 208 . 1 1 20 20 LEU N N 15 120.953 0.039 . 1 . . 96 . A 20 LEU N . 36064 1 209 . 1 1 21 21 GLN H H 1 8.107 0.005 . 1 . . 164 . A 21 GLN H . 36064 1 210 . 1 1 21 21 GLN HA H 1 3.522 0.006 . 1 . . 547 . A 21 GLN HA . 36064 1 211 . 1 1 21 21 GLN HB2 H 1 2.023 0.003 . 2 . . 549 . A 21 GLN HB2 . 36064 1 212 . 1 1 21 21 GLN HB3 H 1 1.938 0.002 . 2 . . 788 . A 21 GLN HB3 . 36064 1 213 . 1 1 21 21 GLN HG2 H 1 2.009 0.007 . 2 . . 789 . A 21 GLN HG2 . 36064 1 214 . 1 1 21 21 GLN HG3 H 1 2.098 0.007 . 2 . . 790 . A 21 GLN HG3 . 36064 1 215 . 1 1 21 21 GLN HE21 H 1 7.077 0.002 . 1 . . 791 . A 21 GLN HE21 . 36064 1 216 . 1 1 21 21 GLN HE22 H 1 6.867 0.001 . 1 . . 792 . A 21 GLN HE22 . 36064 1 217 . 1 1 21 21 GLN CA C 13 59.242 0.044 . 1 . . 286 . A 21 GLN CA . 36064 1 218 . 1 1 21 21 GLN CB C 13 28.561 0.056 . 1 . . 330 . A 21 GLN CB . 36064 1 219 . 1 1 21 21 GLN CG C 13 34.418 0.047 . 1 . . 787 . A 21 GLN CG . 36064 1 220 . 1 1 21 21 GLN N N 15 117.559 0.035 . 1 . . 163 . A 21 GLN N . 36064 1 221 . 1 1 21 21 GLN NE2 N 15 112.211 0.033 . 1 . . 793 . A 21 GLN NE2 . 36064 1 222 . 1 1 22 22 ARG H H 1 7.580 0.004 . 1 . . 160 . A 22 ARG H . 36064 1 223 . 1 1 22 22 ARG HA H 1 4.072 0.002 . 1 . . 545 . A 22 ARG HA . 36064 1 224 . 1 1 22 22 ARG HB2 H 1 1.970 0.008 . 2 . . 546 . A 22 ARG HB2 . 36064 1 225 . 1 1 22 22 ARG HB3 H 1 1.908 0.006 . 2 . . 868 . A 22 ARG HB3 . 36064 1 226 . 1 1 22 22 ARG HG2 H 1 1.846 0.005 . 2 . . 870 . A 22 ARG HG2 . 36064 1 227 . 1 1 22 22 ARG HG3 H 1 1.609 0.006 . 2 . . 871 . A 22 ARG HG3 . 36064 1 228 . 1 1 22 22 ARG HD2 H 1 3.274 0.003 . 1 . . 873 . A 22 ARG HD2 . 36064 1 229 . 1 1 22 22 ARG CA C 13 59.548 0.076 . 1 . . 345 . A 22 ARG CA . 36064 1 230 . 1 1 22 22 ARG CB C 13 29.955 0.063 . 1 . . 346 . A 22 ARG CB . 36064 1 231 . 1 1 22 22 ARG CG C 13 27.965 0.118 . 1 . . 869 . A 22 ARG CG . 36064 1 232 . 1 1 22 22 ARG CD C 13 43.498 0.007 . 1 . . 872 . A 22 ARG CD . 36064 1 233 . 1 1 22 22 ARG N N 15 119.473 0.08 . 1 . . 159 . A 22 ARG N . 36064 1 234 . 1 1 23 23 LEU H H 1 8.016 0.003 . 1 . . 187 . A 23 LEU H . 36064 1 235 . 1 1 23 23 LEU HA H 1 4.104 0.006 . 1 . . 544 . A 23 LEU HA . 36064 1 236 . 1 1 23 23 LEU HB2 H 1 2.007 0.003 . 2 . . 542 . A 23 LEU HB2 . 36064 1 237 . 1 1 23 23 LEU HB3 H 1 1.531 0.005 . 2 . . 543 . A 23 LEU HB3 . 36064 1 238 . 1 1 23 23 LEU HG H 1 1.774 0.006 . 1 . . 673 . A 23 LEU HG . 36064 1 239 . 1 1 23 23 LEU HD11 H 1 0.937 0.014 . 2 . . 671 . A 23 LEU HD11 . 36064 1 240 . 1 1 23 23 LEU HD12 H 1 0.937 0.014 . 2 . . 671 . A 23 LEU HD12 . 36064 1 241 . 1 1 23 23 LEU HD13 H 1 0.937 0.014 . 2 . . 671 . A 23 LEU HD13 . 36064 1 242 . 1 1 23 23 LEU HD21 H 1 0.905 0.009 . 2 . . 672 . A 23 LEU HD21 . 36064 1 243 . 1 1 23 23 LEU HD22 H 1 0.905 0.009 . 2 . . 672 . A 23 LEU HD22 . 36064 1 244 . 1 1 23 23 LEU HD23 H 1 0.905 0.009 . 2 . . 672 . A 23 LEU HD23 . 36064 1 245 . 1 1 23 23 LEU CA C 13 57.968 0.134 . 1 . . 342 . A 23 LEU CA . 36064 1 246 . 1 1 23 23 LEU CB C 13 42.373 0.052 . 1 . . 341 . A 23 LEU CB . 36064 1 247 . 1 1 23 23 LEU CG C 13 26.967 0.067 . 1 . . 674 . A 23 LEU CG . 36064 1 248 . 1 1 23 23 LEU CD1 C 13 24.910 0.088 . 2 . . 677 . A 23 LEU CD1 . 36064 1 249 . 1 1 23 23 LEU CD2 C 13 23.376 0.046 . 2 . . 676 . A 23 LEU CD2 . 36064 1 250 . 1 1 23 23 LEU N N 15 121.095 0.074 . 1 . . 188 . A 23 LEU N . 36064 1 251 . 1 1 24 24 ILE H H 1 8.668 0.005 . 1 . . 184 . A 24 ILE H . 36064 1 252 . 1 1 24 24 ILE HA H 1 3.334 0.005 . 1 . . 539 . A 24 ILE HA . 36064 1 253 . 1 1 24 24 ILE HB H 1 1.808 0.008 . 1 . . 540 . A 24 ILE HB . 36064 1 254 . 1 1 24 24 ILE HG12 H 1 1.881 0.01 . 2 . . 615 . A 24 ILE HG12 . 36064 1 255 . 1 1 24 24 ILE HG13 H 1 0.546 0.009 . 2 . . 616 . A 24 ILE HG13 . 36064 1 256 . 1 1 24 24 ILE HG21 H 1 0.820 0.006 . 1 . . 612 . A 24 ILE HG21 . 36064 1 257 . 1 1 24 24 ILE HG22 H 1 0.820 0.006 . 1 . . 612 . A 24 ILE HG22 . 36064 1 258 . 1 1 24 24 ILE HG23 H 1 0.820 0.006 . 1 . . 612 . A 24 ILE HG23 . 36064 1 259 . 1 1 24 24 ILE HD11 H 1 0.802 0.004 . 1 . . 613 . A 24 ILE HD11 . 36064 1 260 . 1 1 24 24 ILE HD12 H 1 0.802 0.004 . 1 . . 613 . A 24 ILE HD12 . 36064 1 261 . 1 1 24 24 ILE HD13 H 1 0.802 0.004 . 1 . . 613 . A 24 ILE HD13 . 36064 1 262 . 1 1 24 24 ILE C C 13 177.669 . . 1 . . 71 . A 24 ILE C . 36064 1 263 . 1 1 24 24 ILE CA C 13 66.892 0.058 . 1 . . 290 . A 24 ILE CA . 36064 1 264 . 1 1 24 24 ILE CB C 13 38.218 0.048 . 1 . . 339 . A 24 ILE CB . 36064 1 265 . 1 1 24 24 ILE CG1 C 13 31.535 0.054 . 1 . . 614 . A 24 ILE CG1 . 36064 1 266 . 1 1 24 24 ILE CG2 C 13 17.505 0.038 . 1 . . 603 . A 24 ILE CG2 . 36064 1 267 . 1 1 24 24 ILE CD1 C 13 13.969 0.066 . 1 . . 602 . A 24 ILE CD1 . 36064 1 268 . 1 1 24 24 ILE N N 15 121.295 0.057 . 1 . . 183 . A 24 ILE N . 36064 1 269 . 1 1 25 25 THR H H 1 8.081 0.004 . 1 . . 70 . A 25 THR H . 36064 1 270 . 1 1 25 25 THR HA H 1 3.989 0.008 . 1 . . 538 . A 25 THR HA . 36064 1 271 . 1 1 25 25 THR HB H 1 4.258 0.009 . 1 . . 541 . A 25 THR HB . 36064 1 272 . 1 1 25 25 THR HG21 H 1 1.284 0.004 . 1 . . 645 . A 25 THR HG21 . 36064 1 273 . 1 1 25 25 THR HG22 H 1 1.284 0.004 . 1 . . 645 . A 25 THR HG22 . 36064 1 274 . 1 1 25 25 THR HG23 H 1 1.284 0.004 . 1 . . 645 . A 25 THR HG23 . 36064 1 275 . 1 1 25 25 THR C C 13 176.796 . . 1 . . 355 . A 25 THR C . 36064 1 276 . 1 1 25 25 THR CA C 13 66.657 0.042 . 1 . . 246 . A 25 THR CA . 36064 1 277 . 1 1 25 25 THR CB C 13 68.775 0.071 . 1 . . 245 . A 25 THR CB . 36064 1 278 . 1 1 25 25 THR CG2 C 13 21.986 0.03 . 1 . . 646 . A 25 THR CG2 . 36064 1 279 . 1 1 25 25 THR N N 15 116.228 0.031 . 1 . . 72 . A 25 THR N . 36064 1 280 . 1 1 26 26 GLN H H 1 8.050 0.003 . 1 . . 126 . A 26 GLN H . 36064 1 281 . 1 1 26 26 GLN HA H 1 4.115 0.005 . 1 . . 537 . A 26 GLN HA . 36064 1 282 . 1 1 26 26 GLN HB2 H 1 2.308 0.006 . 2 . . 535 . A 26 GLN HB2 . 36064 1 283 . 1 1 26 26 GLN HB3 H 1 2.165 0.007 . 2 . . 804 . A 26 GLN HB3 . 36064 1 284 . 1 1 26 26 GLN HG2 H 1 2.626 0.005 . 2 . . 802 . A 26 GLN HG2 . 36064 1 285 . 1 1 26 26 GLN HG3 H 1 2.336 0.005 . 2 . . 803 . A 26 GLN HG3 . 36064 1 286 . 1 1 26 26 GLN HE21 H 1 6.805 0.001 . 1 . . 806 . A 26 GLN HE21 . 36064 1 287 . 1 1 26 26 GLN HE22 H 1 7.507 0.002 . 1 . . 807 . A 26 GLN HE22 . 36064 1 288 . 1 1 26 26 GLN C C 13 179.539 . . 1 . . 68 . A 26 GLN C . 36064 1 289 . 1 1 26 26 GLN CA C 13 59.295 0.085 . 1 . . 272 . A 26 GLN CA . 36064 1 290 . 1 1 26 26 GLN CB C 13 28.755 0.068 . 1 . . 312 . A 26 GLN CB . 36064 1 291 . 1 1 26 26 GLN CG C 13 34.270 0.069 . 1 . . 801 . A 26 GLN CG . 36064 1 292 . 1 1 26 26 GLN N N 15 121.018 0.034 . 1 . . 127 . A 26 GLN N . 36064 1 293 . 1 1 26 26 GLN NE2 N 15 110.953 0.028 . 1 . . 805 . A 26 GLN NE2 . 36064 1 294 . 1 1 27 27 LYS H H 1 8.415 0.004 . 1 . . 67 . A 27 LYS H . 36064 1 295 . 1 1 27 27 LYS HA H 1 4.046 0.007 . 1 . . 534 . A 27 LYS HA . 36064 1 296 . 1 1 27 27 LYS HB2 H 1 2.102 0.007 . 2 . . 532 . A 27 LYS HB2 . 36064 1 297 . 1 1 27 27 LYS HB3 H 1 1.652 0.007 . 2 . . 533 . A 27 LYS HB3 . 36064 1 298 . 1 1 27 27 LYS HG2 H 1 1.656 0.006 . 2 . . 742 . A 27 LYS HG2 . 36064 1 299 . 1 1 27 27 LYS HG3 H 1 1.579 0.005 . 2 . . 743 . A 27 LYS HG3 . 36064 1 300 . 1 1 27 27 LYS HD2 H 1 1.466 0.005 . 2 . . 739 . A 27 LYS HD2 . 36064 1 301 . 1 1 27 27 LYS HD3 H 1 1.640 0.006 . 2 . . 740 . A 27 LYS HD3 . 36064 1 302 . 1 1 27 27 LYS HE2 H 1 2.837 0.002 . 1 . . 741 . A 27 LYS HE2 . 36064 1 303 . 1 1 27 27 LYS C C 13 178.657 . . 1 . . 363 . A 27 LYS C . 36064 1 304 . 1 1 27 27 LYS CA C 13 59.360 0.055 . 1 . . 362 . A 27 LYS CA . 36064 1 305 . 1 1 27 27 LYS CB C 13 31.890 0.055 . 1 . . 244 . A 27 LYS CB . 36064 1 306 . 1 1 27 27 LYS CG C 13 25.766 0.108 . 1 . . 738 . A 27 LYS CG . 36064 1 307 . 1 1 27 27 LYS CD C 13 28.615 0.064 . 1 . . 736 . A 27 LYS CD . 36064 1 308 . 1 1 27 27 LYS CE C 13 42.475 0.067 . 1 . . 737 . A 27 LYS CE . 36064 1 309 . 1 1 27 27 LYS N N 15 120.398 0.031 . 1 . . 69 . A 27 LYS N . 36064 1 310 . 1 1 28 28 GLU H H 1 8.792 0.004 . 1 . . 103 . A 28 GLU H . 36064 1 311 . 1 1 28 28 GLU HA H 1 4.048 0.007 . 1 . . 536 . A 28 GLU HA . 36064 1 312 . 1 1 28 28 GLU HB2 H 1 2.301 0.01 . 2 . . 530 . A 28 GLU HB2 . 36064 1 313 . 1 1 28 28 GLU HB3 H 1 2.043 0.01 . 2 . . 531 . A 28 GLU HB3 . 36064 1 314 . 1 1 28 28 GLU HG2 H 1 2.468 0.002 . 2 . . 832 . A 28 GLU HG2 . 36064 1 315 . 1 1 28 28 GLU HG3 H 1 2.196 0.009 . 2 . . 834 . A 28 GLU HG3 . 36064 1 316 . 1 1 28 28 GLU CA C 13 59.650 0.12 . 1 . . 258 . A 28 GLU CA . 36064 1 317 . 1 1 28 28 GLU CB C 13 29.536 0.08 . 1 . . 257 . A 28 GLU CB . 36064 1 318 . 1 1 28 28 GLU CG C 13 36.765 0.062 . 1 . . 833 . A 28 GLU CG . 36064 1 319 . 1 1 28 28 GLU N N 15 118.872 0.035 . 1 . . 104 . A 28 GLU N . 36064 1 320 . 1 1 29 29 GLU H H 1 8.030 0.005 . 1 . . 172 . A 29 GLU H . 36064 1 321 . 1 1 29 29 GLU HA H 1 4.195 0.005 . 1 . . 529 . A 29 GLU HA . 36064 1 322 . 1 1 29 29 GLU HB2 H 1 2.193 0.01 . 2 . . 527 . A 29 GLU HB2 . 36064 1 323 . 1 1 29 29 GLU HB3 H 1 2.075 0.011 . 2 . . 528 . A 29 GLU HB3 . 36064 1 324 . 1 1 29 29 GLU HG2 H 1 2.402 0.004 . 2 . . 835 . A 29 GLU HG2 . 36064 1 325 . 1 1 29 29 GLU HG3 H 1 2.347 0.007 . 2 . . 837 . A 29 GLU HG3 . 36064 1 326 . 1 1 29 29 GLU CA C 13 59.187 0.084 . 1 . . 288 . A 29 GLU CA . 36064 1 327 . 1 1 29 29 GLU CB C 13 29.099 0.145 . 1 . . 334 . A 29 GLU CB . 36064 1 328 . 1 1 29 29 GLU CG C 13 35.805 0.049 . 1 . . 836 . A 29 GLU CG . 36064 1 329 . 1 1 29 29 GLU N N 15 119.942 0.04 . 1 . . 171 . A 29 GLU N . 36064 1 330 . 1 1 30 30 LYS H H 1 7.590 0.003 . 1 . . 162 . A 30 LYS H . 36064 1 331 . 1 1 30 30 LYS HA H 1 4.074 0.01 . 1 . . 525 . A 30 LYS HA . 36064 1 332 . 1 1 30 30 LYS HB2 H 1 1.945 0.006 . 2 . . 526 . A 30 LYS HB2 . 36064 1 333 . 1 1 30 30 LYS HB3 H 1 1.979 0.018 . 2 . . 744 . A 30 LYS HB3 . 36064 1 334 . 1 1 30 30 LYS HG2 H 1 1.452 0.008 . 2 . . 928 . A 30 LYS HG2 . 36064 1 335 . 1 1 30 30 LYS HG3 H 1 1.568 0.002 . 2 . . 930 . A 30 LYS HG3 . 36064 1 336 . 1 1 30 30 LYS CA C 13 59.509 0.04 . 1 . . 381 . A 30 LYS CA . 36064 1 337 . 1 1 30 30 LYS CB C 13 32.509 0.061 . 1 . . 329 . A 30 LYS CB . 36064 1 338 . 1 1 30 30 LYS CG C 13 25.144 0.051 . 1 . . 929 . A 30 LYS CG . 36064 1 339 . 1 1 30 30 LYS N N 15 119.804 0.064 . 1 . . 161 . A 30 LYS N . 36064 1 340 . 1 1 31 31 ILE H H 1 8.614 0.002 . 1 . . 186 . A 31 ILE H . 36064 1 341 . 1 1 31 31 ILE HA H 1 3.431 0.005 . 1 . . 524 . A 31 ILE HA . 36064 1 342 . 1 1 31 31 ILE HB H 1 1.953 0.006 . 1 . . 523 . A 31 ILE HB . 36064 1 343 . 1 1 31 31 ILE HG12 H 1 1.933 0.007 . 2 . . 617 . A 31 ILE HG12 . 36064 1 344 . 1 1 31 31 ILE HG13 H 1 0.657 0.008 . 2 . . 618 . A 31 ILE HG13 . 36064 1 345 . 1 1 31 31 ILE HG21 H 1 0.857 0.008 . 1 . . 622 . A 31 ILE HG21 . 36064 1 346 . 1 1 31 31 ILE HG22 H 1 0.857 0.008 . 1 . . 622 . A 31 ILE HG22 . 36064 1 347 . 1 1 31 31 ILE HG23 H 1 0.857 0.008 . 1 . . 622 . A 31 ILE HG23 . 36064 1 348 . 1 1 31 31 ILE HD11 H 1 1.001 0.006 . 1 . . 605 . A 31 ILE HD11 . 36064 1 349 . 1 1 31 31 ILE HD12 H 1 1.001 0.006 . 1 . . 605 . A 31 ILE HD12 . 36064 1 350 . 1 1 31 31 ILE HD13 H 1 1.001 0.006 . 1 . . 605 . A 31 ILE HD13 . 36064 1 351 . 1 1 31 31 ILE C C 13 177.010 . . 1 . . 98 . A 31 ILE C . 36064 1 352 . 1 1 31 31 ILE CA C 13 65.907 0.074 . 1 . . 291 . A 31 ILE CA . 36064 1 353 . 1 1 31 31 ILE CB C 13 38.468 0.054 . 1 . . 340 . A 31 ILE CB . 36064 1 354 . 1 1 31 31 ILE CG1 C 13 31.814 0.098 . 1 . . 606 . A 31 ILE CG1 . 36064 1 355 . 1 1 31 31 ILE CG2 C 13 17.019 0.041 . 1 . . 607 . A 31 ILE CG2 . 36064 1 356 . 1 1 31 31 ILE CD1 C 13 14.439 0.051 . 1 . . 604 . A 31 ILE CD1 . 36064 1 357 . 1 1 31 31 ILE N N 15 120.338 0.051 . 1 . . 185 . A 31 ILE N . 36064 1 358 . 1 1 32 32 ARG H H 1 8.062 0.004 . 1 . . 97 . A 32 ARG H . 36064 1 359 . 1 1 32 32 ARG HA H 1 3.894 0.006 . 1 . . 521 . A 32 ARG HA . 36064 1 360 . 1 1 32 32 ARG HB2 H 1 2.008 0.006 . 1 . . 522 . A 32 ARG HB2 . 36064 1 361 . 1 1 32 32 ARG HG2 H 1 1.830 0.014 . 2 . . 881 . A 32 ARG HG2 . 36064 1 362 . 1 1 32 32 ARG HG3 H 1 1.569 0.01 . 2 . . 882 . A 32 ARG HG3 . 36064 1 363 . 1 1 32 32 ARG HD2 H 1 3.196 0.004 . 2 . . 880 . A 32 ARG HD2 . 36064 1 364 . 1 1 32 32 ARG HD3 H 1 3.269 0.005 . 2 . . 883 . A 32 ARG HD3 . 36064 1 365 . 1 1 32 32 ARG C C 13 179.750 . . 1 . . 4 . A 32 ARG C . 36064 1 366 . 1 1 32 32 ARG CA C 13 60.288 0.028 . 1 . . 256 . A 32 ARG CA . 36064 1 367 . 1 1 32 32 ARG CB C 13 30.082 0.039 . 1 . . 255 . A 32 ARG CB . 36064 1 368 . 1 1 32 32 ARG CG C 13 27.761 0.057 . 1 . . 878 . A 32 ARG CG . 36064 1 369 . 1 1 32 32 ARG CD C 13 43.447 0.063 . 1 . . 884 . A 32 ARG CD . 36064 1 370 . 1 1 32 32 ARG N N 15 119.132 0.037 . 1 . . 99 . A 32 ARG N . 36064 1 371 . 1 1 33 33 VAL H H 1 7.707 0.003 . 1 . . 3 . A 33 VAL H . 36064 1 372 . 1 1 33 33 VAL HA H 1 3.709 0.004 . 1 . . 372 . A 33 VAL HA . 36064 1 373 . 1 1 33 33 VAL HB H 1 2.210 0.008 . 1 . . 373 . A 33 VAL HB . 36064 1 374 . 1 1 33 33 VAL HG11 H 1 0.959 0.005 . 2 . . 637 . A 33 VAL HG11 . 36064 1 375 . 1 1 33 33 VAL HG12 H 1 0.959 0.005 . 2 . . 637 . A 33 VAL HG12 . 36064 1 376 . 1 1 33 33 VAL HG13 H 1 0.959 0.005 . 2 . . 637 . A 33 VAL HG13 . 36064 1 377 . 1 1 33 33 VAL HG21 H 1 1.117 0.003 . 2 . . 638 . A 33 VAL HG21 . 36064 1 378 . 1 1 33 33 VAL HG22 H 1 1.117 0.003 . 2 . . 638 . A 33 VAL HG22 . 36064 1 379 . 1 1 33 33 VAL HG23 H 1 1.117 0.003 . 2 . . 638 . A 33 VAL HG23 . 36064 1 380 . 1 1 33 33 VAL CA C 13 66.354 0.053 . 1 . . 203 . A 33 VAL CA . 36064 1 381 . 1 1 33 33 VAL CB C 13 32.069 0.067 . 1 . . 202 . A 33 VAL CB . 36064 1 382 . 1 1 33 33 VAL CG1 C 13 21.141 0.06 . 2 . . 639 . A 33 VAL CG1 . 36064 1 383 . 1 1 33 33 VAL CG2 C 13 22.688 0.042 . 2 . . 640 . A 33 VAL CG2 . 36064 1 384 . 1 1 33 33 VAL N N 15 119.355 0.067 . 1 . . 5 . A 33 VAL N . 36064 1 385 . 1 1 34 34 LEU H H 1 8.208 0.006 . 1 . . 176 . A 34 LEU H . 36064 1 386 . 1 1 34 34 LEU HA H 1 3.996 0.006 . 1 . . 518 . A 34 LEU HA . 36064 1 387 . 1 1 34 34 LEU HB2 H 1 1.348 0.008 . 2 . . 519 . A 34 LEU HB2 . 36064 1 388 . 1 1 34 34 LEU HB3 H 1 1.971 0.008 . 2 . . 689 . A 34 LEU HB3 . 36064 1 389 . 1 1 34 34 LEU HG H 1 1.863 0.004 . 1 . . 688 . A 34 LEU HG . 36064 1 390 . 1 1 34 34 LEU HD11 H 1 0.806 0.003 . 2 . . 520 . A 34 LEU HD11 . 36064 1 391 . 1 1 34 34 LEU HD12 H 1 0.806 0.003 . 2 . . 520 . A 34 LEU HD12 . 36064 1 392 . 1 1 34 34 LEU HD13 H 1 0.806 0.003 . 2 . . 520 . A 34 LEU HD13 . 36064 1 393 . 1 1 34 34 LEU HD21 H 1 0.847 0.008 . 2 . . 687 . A 34 LEU HD21 . 36064 1 394 . 1 1 34 34 LEU HD22 H 1 0.847 0.008 . 2 . . 687 . A 34 LEU HD22 . 36064 1 395 . 1 1 34 34 LEU HD23 H 1 0.847 0.008 . 2 . . 687 . A 34 LEU HD23 . 36064 1 396 . 1 1 34 34 LEU C C 13 179.146 . . 1 . . 139 . A 34 LEU C . 36064 1 397 . 1 1 34 34 LEU CA C 13 58.235 0.091 . 1 . . 276 . A 34 LEU CA . 36064 1 398 . 1 1 34 34 LEU CB C 13 41.738 0.071 . 1 . . 277 . A 34 LEU CB . 36064 1 399 . 1 1 34 34 LEU CG C 13 27.238 0.073 . 1 . . 691 . A 34 LEU CG . 36064 1 400 . 1 1 34 34 LEU CD1 C 13 22.984 0.036 . 2 . . 686 . A 34 LEU CD1 . 36064 1 401 . 1 1 34 34 LEU CD2 C 13 26.988 0.086 . 2 . . 690 . A 34 LEU CD2 . 36064 1 402 . 1 1 34 34 LEU N N 15 121.324 0.069 . 1 . . 175 . A 34 LEU N . 36064 1 403 . 1 1 35 35 ARG H H 1 9.035 0.004 . 1 . . 138 . A 35 ARG H . 36064 1 404 . 1 1 35 35 ARG HA H 1 3.904 0.006 . 1 . . 516 . A 35 ARG HA . 36064 1 405 . 1 1 35 35 ARG HB2 H 1 1.909 0.003 . 1 . . 517 . A 35 ARG HB2 . 36064 1 406 . 1 1 35 35 ARG HG2 H 1 1.618 0.007 . 2 . . 874 . A 35 ARG HG2 . 36064 1 407 . 1 1 35 35 ARG HG3 H 1 1.897 0.007 . 2 . . 876 . A 35 ARG HG3 . 36064 1 408 . 1 1 35 35 ARG HD2 H 1 3.145 0.008 . 1 . . 877 . A 35 ARG HD2 . 36064 1 409 . 1 1 35 35 ARG C C 13 179.069 . . 1 . . 352 . A 35 ARG C . 36064 1 410 . 1 1 35 35 ARG CA C 13 60.323 0.064 . 1 . . 279 . A 35 ARG CA . 36064 1 411 . 1 1 35 35 ARG CB C 13 29.834 0.09 . 1 . . 278 . A 35 ARG CB . 36064 1 412 . 1 1 35 35 ARG CG C 13 28.802 0.085 . 1 . . 875 . A 35 ARG CG . 36064 1 413 . 1 1 35 35 ARG CD C 13 43.573 0.095 . 1 . . 879 . A 35 ARG CD . 36064 1 414 . 1 1 35 35 ARG N N 15 118.421 0.043 . 1 . . 140 . A 35 ARG N . 36064 1 415 . 1 1 36 36 GLN H H 1 7.687 0.004 . 1 . . 63 . A 36 GLN H . 36064 1 416 . 1 1 36 36 GLN HA H 1 4.100 0.006 . 1 . . 472 . A 36 GLN HA . 36064 1 417 . 1 1 36 36 GLN HB2 H 1 2.217 0.005 . 1 . . 475 . A 36 GLN HB2 . 36064 1 418 . 1 1 36 36 GLN HG2 H 1 2.492 0.011 . 2 . . 814 . A 36 GLN HG2 . 36064 1 419 . 1 1 36 36 GLN HG3 H 1 2.437 0.012 . 2 . . 815 . A 36 GLN HG3 . 36064 1 420 . 1 1 36 36 GLN HE21 H 1 7.774 0.001 . 1 . . 817 . A 36 GLN HE21 . 36064 1 421 . 1 1 36 36 GLN HE22 H 1 6.865 0.002 . 1 . . 819 . A 36 GLN HE22 . 36064 1 422 . 1 1 36 36 GLN C C 13 178.257 . . 1 . . 364 . A 36 GLN C . 36064 1 423 . 1 1 36 36 GLN CA C 13 58.449 0.066 . 1 . . 243 . A 36 GLN CA . 36064 1 424 . 1 1 36 36 GLN CB C 13 27.745 0.048 . 1 . . 302 . A 36 GLN CB . 36064 1 425 . 1 1 36 36 GLN CG C 13 33.443 0.028 . 1 . . 816 . A 36 GLN CG . 36064 1 426 . 1 1 36 36 GLN N N 15 118.527 0.044 . 1 . . 64 . A 36 GLN N . 36064 1 427 . 1 1 36 36 GLN NE2 N 15 112.251 0.024 . 1 . . 818 . A 36 GLN NE2 . 36064 1 428 . 1 1 37 37 ARG H H 1 7.932 0.002 . 1 . . 86 . A 37 ARG H . 36064 1 429 . 1 1 37 37 ARG HB2 H 1 1.969 0.009 . 2 . . 913 . A 37 ARG HB2 . 36064 1 430 . 1 1 37 37 ARG HB3 H 1 2.093 0.0 . 2 . . 924 . A 37 ARG HB3 . 36064 1 431 . 1 1 37 37 ARG HG2 H 1 1.671 0.0 . 1 . . 909 . A 37 ARG HG2 . 36064 1 432 . 1 1 37 37 ARG HD2 H 1 3.156 . . 2 . . 914 . A 37 ARG HD2 . 36064 1 433 . 1 1 37 37 ARG HD3 H 1 3.247 0.002 . 2 . . 915 . A 37 ARG HD3 . 36064 1 434 . 1 1 37 37 ARG C C 13 179.119 . . 1 . . 365 . A 37 ARG C . 36064 1 435 . 1 1 37 37 ARG CA C 13 59.525 0.009 . 1 . . 250 . A 37 ARG CA . 36064 1 436 . 1 1 37 37 ARG CB C 13 30.105 0.069 . 1 . . 360 . A 37 ARG CB . 36064 1 437 . 1 1 37 37 ARG N N 15 119.626 0.058 . 1 . . 87 . A 37 ARG N . 36064 1 438 . 1 1 38 38 LEU H H 1 8.013 0.004 . 1 . . 174 . A 38 LEU H . 36064 1 439 . 1 1 38 38 LEU HA H 1 4.046 0.01 . 1 . . 515 . A 38 LEU HA . 36064 1 440 . 1 1 38 38 LEU HB2 H 1 1.689 0.01 . 2 . . 513 . A 38 LEU HB2 . 36064 1 441 . 1 1 38 38 LEU HB3 H 1 1.816 0.008 . 2 . . 514 . A 38 LEU HB3 . 36064 1 442 . 1 1 38 38 LEU HG H 1 1.668 0.004 . 1 . . 692 . A 38 LEU HG . 36064 1 443 . 1 1 38 38 LEU HD11 H 1 0.914 0.01 . 2 . . 694 . A 38 LEU HD11 . 36064 1 444 . 1 1 38 38 LEU HD12 H 1 0.914 0.01 . 2 . . 694 . A 38 LEU HD12 . 36064 1 445 . 1 1 38 38 LEU HD13 H 1 0.914 0.01 . 2 . . 694 . A 38 LEU HD13 . 36064 1 446 . 1 1 38 38 LEU HD21 H 1 0.849 0.009 . 2 . . 696 . A 38 LEU HD21 . 36064 1 447 . 1 1 38 38 LEU HD22 H 1 0.849 0.009 . 2 . . 696 . A 38 LEU HD22 . 36064 1 448 . 1 1 38 38 LEU HD23 H 1 0.849 0.009 . 2 . . 696 . A 38 LEU HD23 . 36064 1 449 . 1 1 38 38 LEU C C 13 179.119 . . 1 . . 110 . A 38 LEU C . 36064 1 450 . 1 1 38 38 LEU CA C 13 57.915 0.07 . 1 . . 259 . A 38 LEU CA . 36064 1 451 . 1 1 38 38 LEU CB C 13 41.983 0.06 . 1 . . 260 . A 38 LEU CB . 36064 1 452 . 1 1 38 38 LEU CG C 13 27.204 0.097 . 1 . . 693 . A 38 LEU CG . 36064 1 453 . 1 1 38 38 LEU CD1 C 13 25.728 0.139 . 2 . . 695 . A 38 LEU CD1 . 36064 1 454 . 1 1 38 38 LEU CD2 C 13 24.563 0.188 . 2 . . 697 . A 38 LEU CD2 . 36064 1 455 . 1 1 38 38 LEU N N 15 120.091 0.084 . 1 . . 173 . A 38 LEU N . 36064 1 456 . 1 1 39 39 VAL H H 1 8.009 0.004 . 1 . . 109 . A 39 VAL H . 36064 1 457 . 1 1 39 39 VAL HA H 1 3.791 0.003 . 1 . . 509 . A 39 VAL HA . 36064 1 458 . 1 1 39 39 VAL HB H 1 2.236 0.006 . 1 . . 510 . A 39 VAL HB . 36064 1 459 . 1 1 39 39 VAL HG11 H 1 1.069 0.003 . 2 . . 511 . A 39 VAL HG11 . 36064 1 460 . 1 1 39 39 VAL HG12 H 1 1.069 0.003 . 2 . . 511 . A 39 VAL HG12 . 36064 1 461 . 1 1 39 39 VAL HG13 H 1 1.069 0.003 . 2 . . 511 . A 39 VAL HG13 . 36064 1 462 . 1 1 39 39 VAL HG21 H 1 0.959 0.005 . 2 . . 512 . A 39 VAL HG21 . 36064 1 463 . 1 1 39 39 VAL HG22 H 1 0.959 0.005 . 2 . . 512 . A 39 VAL HG22 . 36064 1 464 . 1 1 39 39 VAL HG23 H 1 0.959 0.005 . 2 . . 512 . A 39 VAL HG23 . 36064 1 465 . 1 1 39 39 VAL C C 13 179.289 . . 1 . . 26 . A 39 VAL C . 36064 1 466 . 1 1 39 39 VAL CA C 13 65.663 0.066 . 1 . . 262 . A 39 VAL CA . 36064 1 467 . 1 1 39 39 VAL CB C 13 31.894 0.074 . 1 . . 261 . A 39 VAL CB . 36064 1 468 . 1 1 39 39 VAL CG1 C 13 22.498 0.022 . 2 . . 641 . A 39 VAL CG1 . 36064 1 469 . 1 1 39 39 VAL CG2 C 13 21.117 0.017 . 2 . . 642 . A 39 VAL CG2 . 36064 1 470 . 1 1 39 39 VAL N N 15 120.640 0.069 . 1 . . 111 . A 39 VAL N . 36064 1 471 . 1 1 40 40 GLU H H 1 8.135 0.005 . 1 . . 25 . A 40 GLU H . 36064 1 472 . 1 1 40 40 GLU HA H 1 4.078 0.005 . 1 . . 507 . A 40 GLU HA . 36064 1 473 . 1 1 40 40 GLU HB2 H 1 2.112 0.002 . 1 . . 508 . A 40 GLU HB2 . 36064 1 474 . 1 1 40 40 GLU HG2 H 1 2.496 0.006 . 2 . . 857 . A 40 GLU HG2 . 36064 1 475 . 1 1 40 40 GLU HG3 H 1 2.313 0.002 . 2 . . 859 . A 40 GLU HG3 . 36064 1 476 . 1 1 40 40 GLU C C 13 177.780 . . 1 . . 357 . A 40 GLU C . 36064 1 477 . 1 1 40 40 GLU CA C 13 58.374 0.03 . 1 . . 222 . A 40 GLU CA . 36064 1 478 . 1 1 40 40 GLU CB C 13 29.631 0.079 . 1 . . 221 . A 40 GLU CB . 36064 1 479 . 1 1 40 40 GLU CG C 13 36.611 0.023 . 1 . . 858 . A 40 GLU CG . 36064 1 480 . 1 1 40 40 GLU N N 15 120.530 0.052 . 1 . . 27 . A 40 GLU N . 36064 1 481 . 1 1 41 41 ARG H H 1 7.823 0.003 . 1 . . 153 . A 41 ARG H . 36064 1 482 . 1 1 41 41 ARG HA H 1 4.288 0.002 . 1 . . 504 . A 41 ARG HA . 36064 1 483 . 1 1 41 41 ARG HB2 H 1 2.067 0.006 . 2 . . 505 . A 41 ARG HB2 . 36064 1 484 . 1 1 41 41 ARG HB3 H 1 1.939 0.005 . 2 . . 506 . A 41 ARG HB3 . 36064 1 485 . 1 1 41 41 ARG HG2 H 1 1.827 0.004 . 1 . . 862 . A 41 ARG HG2 . 36064 1 486 . 1 1 41 41 ARG HD2 H 1 3.209 0.002 . 2 . . 863 . A 41 ARG HD2 . 36064 1 487 . 1 1 41 41 ARG HD3 H 1 3.145 0.008 . 2 . . 864 . A 41 ARG HD3 . 36064 1 488 . 1 1 41 41 ARG C C 13 177.236 . . 1 . . 356 . A 41 ARG C . 36064 1 489 . 1 1 41 41 ARG CA C 13 57.210 0.042 . 1 . . 283 . A 41 ARG CA . 36064 1 490 . 1 1 41 41 ARG CB C 13 31.180 0.048 . 1 . . 380 . A 41 ARG CB . 36064 1 491 . 1 1 41 41 ARG CG C 13 26.951 0.008 . 1 . . 860 . A 41 ARG CG . 36064 1 492 . 1 1 41 41 ARG CD C 13 44.166 0.011 . 1 . . 861 . A 41 ARG CD . 36064 1 493 . 1 1 41 41 ARG N N 15 118.603 0.04 . 1 . . 154 . A 41 ARG N . 36064 1 494 . 1 1 42 42 GLY H H 1 7.937 0.003 . 1 . . 131 . A 42 GLY H . 36064 1 495 . 1 1 42 42 GLY HA2 H 1 4.134 0.002 . 2 . . 502 . A 42 GLY HA2 . 36064 1 496 . 1 1 42 42 GLY HA3 H 1 3.910 0.007 . 2 . . 503 . A 42 GLY HA3 . 36064 1 497 . 1 1 42 42 GLY C C 13 174.026 . . 1 . . 31 . A 42 GLY C . 36064 1 498 . 1 1 42 42 GLY CA C 13 45.399 0.044 . 1 . . 225 . A 42 GLY CA . 36064 1 499 . 1 1 42 42 GLY N N 15 107.280 0.034 . 1 . . 132 . A 42 GLY N . 36064 1 500 . 1 1 43 43 ASP H H 1 8.243 0.003 . 1 . . 30 . A 43 ASP H . 36064 1 501 . 1 1 43 43 ASP HA H 1 4.690 0.003 . 1 . . 628 . A 43 ASP HA . 36064 1 502 . 1 1 43 43 ASP HB2 H 1 2.722 0.002 . 2 . . 629 . A 43 ASP HB2 . 36064 1 503 . 1 1 43 43 ASP HB3 H 1 2.524 0.002 . 2 . . 630 . A 43 ASP HB3 . 36064 1 504 . 1 1 43 43 ASP C C 13 174.801 0.028 . 1 . . 105 . A 43 ASP C . 36064 1 505 . 1 1 43 43 ASP CA C 13 54.198 0.026 . 1 . . 205 . A 43 ASP CA . 36064 1 506 . 1 1 43 43 ASP CB C 13 41.574 0.044 . 1 . . 204 . A 43 ASP CB . 36064 1 507 . 1 1 43 43 ASP N N 15 120.970 0.03 . 1 . . 32 . A 43 ASP N . 36064 1 508 . 1 1 44 44 ALA H H 1 7.823 0.001 . 1 . . 6 . A 44 ALA H . 36064 1 509 . 1 1 44 44 ALA HA H 1 4.093 . . 1 . . 601 . A 44 ALA HA . 36064 1 510 . 1 1 44 44 ALA HB1 H 1 1.321 0.002 . 1 . . 501 . A 44 ALA HB1 . 36064 1 511 . 1 1 44 44 ALA HB2 H 1 1.321 0.002 . 1 . . 501 . A 44 ALA HB2 . 36064 1 512 . 1 1 44 44 ALA HB3 H 1 1.321 0.002 . 1 . . 501 . A 44 ALA HB3 . 36064 1 513 . 1 1 44 44 ALA CA C 13 53.914 0.024 . 1 . . 207 . A 44 ALA CA . 36064 1 514 . 1 1 44 44 ALA CB C 13 20.372 0.091 . 1 . . 206 . A 44 ALA CB . 36064 1 515 . 1 1 44 44 ALA N N 15 128.916 0.022 . 1 . . 370 . A 44 ALA N . 36064 1 516 . 2 2 2 2 PRO HA H 1 4.474 0.006 . 1 . . 500 . B 96 PRO HA . 36064 1 517 . 2 2 2 2 PRO HB2 H 1 1.944 0.004 . 2 . . 498 . B 96 PRO HB2 . 36064 1 518 . 2 2 2 2 PRO HB3 H 1 2.311 0.008 . 2 . . 499 . B 96 PRO HB3 . 36064 1 519 . 2 2 2 2 PRO HG2 H 1 2.009 0.001 . 1 . . 599 . B 96 PRO HG2 . 36064 1 520 . 2 2 2 2 PRO HD2 H 1 3.574 0.004 . 1 . . 596 . B 96 PRO HD2 . 36064 1 521 . 2 2 2 2 PRO C C 13 177.060 . . 1 . . 115 . B 96 PRO C . 36064 1 522 . 2 2 2 2 PRO CA C 13 63.097 0.011 . 1 . . 265 . B 96 PRO CA . 36064 1 523 . 2 2 2 2 PRO CB C 13 32.338 0.02 . 1 . . 264 . B 96 PRO CB . 36064 1 524 . 2 2 2 2 PRO CG C 13 27.090 0.039 . 1 . . 595 . B 96 PRO CG . 36064 1 525 . 2 2 2 2 PRO CD C 13 49.725 0.067 . 1 . . 594 . B 96 PRO CD . 36064 1 526 . 2 2 3 3 LEU H H 1 8.588 0.003 . 1 . . 114 . B 97 LEU H . 36064 1 527 . 2 2 3 3 LEU HA H 1 4.351 0.006 . 1 . . 496 . B 97 LEU HA . 36064 1 528 . 2 2 3 3 LEU HB2 H 1 1.605 0.007 . 2 . . 497 . B 97 LEU HB2 . 36064 1 529 . 2 2 3 3 LEU HB3 H 1 1.671 0.005 . 2 . . 656 . B 97 LEU HB3 . 36064 1 530 . 2 2 3 3 LEU HG H 1 1.663 0.004 . 1 . . 659 . B 97 LEU HG . 36064 1 531 . 2 2 3 3 LEU HD11 H 1 0.884 0.001 . 2 . . 657 . B 97 LEU HD11 . 36064 1 532 . 2 2 3 3 LEU HD12 H 1 0.884 0.001 . 2 . . 657 . B 97 LEU HD12 . 36064 1 533 . 2 2 3 3 LEU HD13 H 1 0.884 0.001 . 2 . . 657 . B 97 LEU HD13 . 36064 1 534 . 2 2 3 3 LEU HD21 H 1 0.936 0.008 . 2 . . 658 . B 97 LEU HD21 . 36064 1 535 . 2 2 3 3 LEU HD22 H 1 0.936 0.008 . 2 . . 658 . B 97 LEU HD22 . 36064 1 536 . 2 2 3 3 LEU HD23 H 1 0.936 0.008 . 2 . . 658 . B 97 LEU HD23 . 36064 1 537 . 2 2 3 3 LEU C C 13 177.972 . . 1 . . 121 . B 97 LEU C . 36064 1 538 . 2 2 3 3 LEU CA C 13 55.424 0.013 . 1 . . 267 . B 97 LEU CA . 36064 1 539 . 2 2 3 3 LEU CB C 13 42.237 0.089 . 1 . . 266 . B 97 LEU CB . 36064 1 540 . 2 2 3 3 LEU CG C 13 27.012 . . 1 . . 660 . B 97 LEU CG . 36064 1 541 . 2 2 3 3 LEU CD1 C 13 23.472 0.013 . 2 . . 662 . B 97 LEU CD1 . 36064 1 542 . 2 2 3 3 LEU CD2 C 13 24.827 . . 2 . . 661 . B 97 LEU CD2 . 36064 1 543 . 2 2 3 3 LEU N N 15 122.611 0.041 . 1 . . 116 . B 97 LEU N . 36064 1 544 . 2 2 4 4 GLY H H 1 8.462 0.003 . 1 . . 120 . B 98 GLY H . 36064 1 545 . 2 2 4 4 GLY HA2 H 1 3.987 . . 1 . . 495 . B 98 GLY HA2 . 36064 1 546 . 2 2 4 4 GLY C C 13 174.207 . . 1 . . 349 . B 98 GLY C . 36064 1 547 . 2 2 4 4 GLY CA C 13 45.317 0.016 . 1 . . 311 . B 98 GLY CA . 36064 1 548 . 2 2 4 4 GLY N N 15 110.190 0.074 . 1 . . 122 . B 98 GLY N . 36064 1 549 . 2 2 5 5 SER H H 1 8.249 0.002 . 1 . . 33 . B 99 SER H . 36064 1 550 . 2 2 5 5 SER HA H 1 4.511 . . 1 . . 494 . B 99 SER HA . 36064 1 551 . 2 2 5 5 SER HB2 H 1 3.875 . . 1 . . 464 . B 99 SER HB2 . 36064 1 552 . 2 2 5 5 SER C C 13 174.673 . . 1 . . 377 . B 99 SER C . 36064 1 553 . 2 2 5 5 SER CA C 13 58.225 0.029 . 1 . . 226 . B 99 SER CA . 36064 1 554 . 2 2 5 5 SER CB C 13 64.009 0.031 . 1 . . 295 . B 99 SER CB . 36064 1 555 . 2 2 5 5 SER N N 15 115.645 0.054 . 1 . . 34 . B 99 SER N . 36064 1 556 . 2 2 6 6 SER H H 1 8.484 0.003 . 1 . . 77 . B 100 SER H . 36064 1 557 . 2 2 6 6 SER HA H 1 4.517 0.002 . 1 . . 486 . B 100 SER HA . 36064 1 558 . 2 2 6 6 SER HB2 H 1 3.901 . . 1 . . 485 . B 100 SER HB2 . 36064 1 559 . 2 2 6 6 SER C C 13 174.603 . . 1 . . 379 . B 100 SER C . 36064 1 560 . 2 2 6 6 SER CA C 13 58.571 . . 1 . . 378 . B 100 SER CA . 36064 1 561 . 2 2 6 6 SER CB C 13 63.894 0.002 . 1 . . 366 . B 100 SER CB . 36064 1 562 . 2 2 6 6 SER N N 15 118.319 0.062 . 1 . . 78 . B 100 SER N . 36064 1 563 . 2 2 7 7 VAL H H 1 8.226 0.002 . 1 . . 100 . B 101 VAL H . 36064 1 564 . 2 2 7 7 VAL HA H 1 4.134 0.007 . 1 . . 490 . B 101 VAL HA . 36064 1 565 . 2 2 7 7 VAL HB H 1 2.084 0.003 . 1 . . 491 . B 101 VAL HB . 36064 1 566 . 2 2 7 7 VAL HG11 H 1 0.939 0.003 . 1 . . 492 . B 101 VAL HG11 . 36064 1 567 . 2 2 7 7 VAL HG12 H 1 0.939 0.003 . 1 . . 492 . B 101 VAL HG12 . 36064 1 568 . 2 2 7 7 VAL HG13 H 1 0.939 0.003 . 1 . . 492 . B 101 VAL HG13 . 36064 1 569 . 2 2 7 7 VAL C C 13 176.549 . . 1 . . 151 . B 101 VAL C . 36064 1 570 . 2 2 7 7 VAL CA C 13 62.666 0.038 . 1 . . 281 . B 101 VAL CA . 36064 1 571 . 2 2 7 7 VAL CB C 13 32.710 0.073 . 1 . . 282 . B 101 VAL CB . 36064 1 572 . 2 2 7 7 VAL CG1 C 13 21.114 0.052 . 1 . . 643 . B 101 VAL CG1 . 36064 1 573 . 2 2 7 7 VAL N N 15 121.772 0.072 . 1 . . 101 . B 101 VAL N . 36064 1 574 . 2 2 8 8 SER H H 1 8.551 0.003 . 1 . . 150 . B 102 SER H . 36064 1 575 . 2 2 8 8 SER HA H 1 4.425 0.001 . 1 . . 487 . B 102 SER HA . 36064 1 576 . 2 2 8 8 SER HB2 H 1 4.113 0.006 . 2 . . 488 . B 102 SER HB2 . 36064 1 577 . 2 2 8 8 SER HB3 H 1 3.937 0.007 . 2 . . 489 . B 102 SER HB3 . 36064 1 578 . 2 2 8 8 SER C C 13 175.287 . . 1 . . 136 . B 102 SER C . 36064 1 579 . 2 2 8 8 SER CA C 13 58.666 0.015 . 1 . . 319 . B 102 SER CA . 36064 1 580 . 2 2 8 8 SER CB C 13 63.952 0.041 . 1 . . 275 . B 102 SER CB . 36064 1 581 . 2 2 8 8 SER N N 15 120.099 0.035 . 1 . . 152 . B 102 SER N . 36064 1 582 . 2 2 9 9 GLU H H 1 8.611 0.003 . 1 . . 135 . B 103 GLU H . 36064 1 583 . 2 2 9 9 GLU HA H 1 4.093 0.01 . 1 . . 493 . B 103 GLU HA . 36064 1 584 . 2 2 9 9 GLU HB2 H 1 2.079 0.002 . 1 . . 484 . B 103 GLU HB2 . 36064 1 585 . 2 2 9 9 GLU HG2 H 1 2.374 0.007 . 2 . . 854 . B 103 GLU HG2 . 36064 1 586 . 2 2 9 9 GLU HG3 H 1 2.269 0.006 . 2 . . 856 . B 103 GLU HG3 . 36064 1 587 . 2 2 9 9 GLU CA C 13 58.841 . . 1 . . 374 . B 103 GLU CA . 36064 1 588 . 2 2 9 9 GLU CB C 13 29.234 0.023 . 1 . . 318 . B 103 GLU CB . 36064 1 589 . 2 2 9 9 GLU CG C 13 36.297 0.027 . 1 . . 855 . B 103 GLU CG . 36064 1 590 . 2 2 9 9 GLU N N 15 123.432 0.059 . 1 . . 137 . B 103 GLU N . 36064 1 591 . 2 2 10 10 LEU H H 1 8.223 0.006 . 1 . . 178 . B 104 LEU H . 36064 1 592 . 2 2 10 10 LEU HA H 1 3.884 0.003 . 1 . . 481 . B 104 LEU HA . 36064 1 593 . 2 2 10 10 LEU HB2 H 1 1.678 0.005 . 2 . . 482 . B 104 LEU HB2 . 36064 1 594 . 2 2 10 10 LEU HB3 H 1 1.543 0.012 . 2 . . 483 . B 104 LEU HB3 . 36064 1 595 . 2 2 10 10 LEU HG H 1 1.508 0.009 . 1 . . 649 . B 104 LEU HG . 36064 1 596 . 2 2 10 10 LEU HD11 H 1 0.708 0.005 . 2 . . 647 . B 104 LEU HD11 . 36064 1 597 . 2 2 10 10 LEU HD12 H 1 0.708 0.005 . 2 . . 647 . B 104 LEU HD12 . 36064 1 598 . 2 2 10 10 LEU HD13 H 1 0.708 0.005 . 2 . . 647 . B 104 LEU HD13 . 36064 1 599 . 2 2 10 10 LEU HD21 H 1 0.863 0.006 . 2 . . 648 . B 104 LEU HD21 . 36064 1 600 . 2 2 10 10 LEU HD22 H 1 0.863 0.006 . 2 . . 648 . B 104 LEU HD22 . 36064 1 601 . 2 2 10 10 LEU HD23 H 1 0.863 0.006 . 2 . . 648 . B 104 LEU HD23 . 36064 1 602 . 2 2 10 10 LEU C C 13 178.013 . . 1 . . 54 . B 104 LEU C . 36064 1 603 . 2 2 10 10 LEU CA C 13 57.898 0.096 . 1 . . 237 . B 104 LEU CA . 36064 1 604 . 2 2 10 10 LEU CB C 13 41.200 0.02 . 1 . . 236 . B 104 LEU CB . 36064 1 605 . 2 2 10 10 LEU CG C 13 27.220 0.178 . 1 . . 652 . B 104 LEU CG . 36064 1 606 . 2 2 10 10 LEU CD1 C 13 22.788 0.027 . 2 . . 650 . B 104 LEU CD1 . 36064 1 607 . 2 2 10 10 LEU CD2 C 13 25.810 0.056 . 2 . . 651 . B 104 LEU CD2 . 36064 1 608 . 2 2 10 10 LEU N N 15 121.613 0.049 . 1 . . 177 . B 104 LEU N . 36064 1 609 . 2 2 11 11 GLU H H 1 8.126 0.004 . 1 . . 53 . B 105 GLU H . 36064 1 610 . 2 2 11 11 GLU HA H 1 3.914 0.005 . 1 . . 477 . B 105 GLU HA . 36064 1 611 . 2 2 11 11 GLU HB2 H 1 2.158 0.004 . 2 . . 478 . B 105 GLU HB2 . 36064 1 612 . 2 2 11 11 GLU HB3 H 1 1.997 0.003 . 2 . . 479 . B 105 GLU HB3 . 36064 1 613 . 2 2 11 11 GLU HG2 H 1 2.328 0.007 . 2 . . 839 . B 105 GLU HG2 . 36064 1 614 . 2 2 11 11 GLU HG3 H 1 2.217 0.009 . 2 . . 840 . B 105 GLU HG3 . 36064 1 615 . 2 2 11 11 GLU CA C 13 59.643 0.094 . 1 . . 343 . B 105 GLU CA . 36064 1 616 . 2 2 11 11 GLU CB C 13 29.291 0.081 . 1 . . 344 . B 105 GLU CB . 36064 1 617 . 2 2 11 11 GLU CG C 13 36.481 0.061 . 1 . . 838 . B 105 GLU CG . 36064 1 618 . 2 2 11 11 GLU N N 15 118.901 0.049 . 1 . . 55 . B 105 GLU N . 36064 1 619 . 2 2 12 12 GLN H H 1 8.022 0.007 . 1 . . 190 . B 106 GLN H . 36064 1 620 . 2 2 12 12 GLN HA H 1 3.911 0.006 . 1 . . 476 . B 106 GLN HA . 36064 1 621 . 2 2 12 12 GLN HB2 H 1 2.168 0.004 . 1 . . 480 . B 106 GLN HB2 . 36064 1 622 . 2 2 12 12 GLN HG2 H 1 2.387 0.005 . 1 . . 777 . B 106 GLN HG2 . 36064 1 623 . 2 2 12 12 GLN HE21 H 1 7.656 0.001 . 1 . . 778 . B 106 GLN HE21 . 36064 1 624 . 2 2 12 12 GLN HE22 H 1 6.907 0.002 . 1 . . 780 . B 106 GLN HE22 . 36064 1 625 . 2 2 12 12 GLN CA C 13 58.734 0.078 . 1 . . 337 . B 106 GLN CA . 36064 1 626 . 2 2 12 12 GLN CB C 13 28.539 0.115 . 1 . . 338 . B 106 GLN CB . 36064 1 627 . 2 2 12 12 GLN CG C 13 33.716 0.03 . 1 . . 781 . B 106 GLN CG . 36064 1 628 . 2 2 12 12 GLN N N 15 119.207 0.062 . 1 . . 189 . B 106 GLN N . 36064 1 629 . 2 2 12 12 GLN NE2 N 15 114.532 0.024 . 1 . . 779 . B 106 GLN NE2 . 36064 1 630 . 2 2 13 13 ARG H H 1 8.169 0.007 . 1 . . 182 . B 107 ARG H . 36064 1 631 . 2 2 13 13 ARG HA H 1 4.238 0.009 . 1 . . 473 . B 107 ARG HA . 36064 1 632 . 2 2 13 13 ARG HB2 H 1 1.781 0.008 . 1 . . 474 . B 107 ARG HB2 . 36064 1 633 . 2 2 13 13 ARG HG2 H 1 1.658 0.005 . 1 . . 896 . B 107 ARG HG2 . 36064 1 634 . 2 2 13 13 ARG HD2 H 1 3.006 0.009 . 2 . . 898 . B 107 ARG HD2 . 36064 1 635 . 2 2 13 13 ARG HD3 H 1 2.650 . . 2 . . 938 . B 107 ARG HD3 . 36064 1 636 . 2 2 13 13 ARG C C 13 179.328 . . 1 . . 84 . B 107 ARG C . 36064 1 637 . 2 2 13 13 ARG CA C 13 59.562 0.078 . 1 . . 308 . B 107 ARG CA . 36064 1 638 . 2 2 13 13 ARG CB C 13 30.081 0.017 . 1 . . 336 . B 107 ARG CB . 36064 1 639 . 2 2 13 13 ARG CG C 13 28.288 0.042 . 1 . . 897 . B 107 ARG CG . 36064 1 640 . 2 2 13 13 ARG CD C 13 43.477 0.021 . 1 . . 899 . B 107 ARG CD . 36064 1 641 . 2 2 13 13 ARG N N 15 120.005 0.077 . 1 . . 181 . B 107 ARG N . 36064 1 642 . 2 2 14 14 LEU H H 1 8.587 0.004 . 1 . . 83 . B 108 LEU H . 36064 1 643 . 2 2 14 14 LEU HA H 1 4.277 0.005 . 1 . . 471 . B 108 LEU HA . 36064 1 644 . 2 2 14 14 LEU HB2 H 1 1.676 0.006 . 2 . . 470 . B 108 LEU HB2 . 36064 1 645 . 2 2 14 14 LEU HB3 H 1 1.813 0.005 . 2 . . 655 . B 108 LEU HB3 . 36064 1 646 . 2 2 14 14 LEU HG H 1 1.647 0.008 . 1 . . 663 . B 108 LEU HG . 36064 1 647 . 2 2 14 14 LEU HD11 H 1 0.939 0.01 . 2 . . 653 . B 108 LEU HD11 . 36064 1 648 . 2 2 14 14 LEU HD12 H 1 0.939 0.01 . 2 . . 653 . B 108 LEU HD12 . 36064 1 649 . 2 2 14 14 LEU HD13 H 1 0.939 0.01 . 2 . . 653 . B 108 LEU HD13 . 36064 1 650 . 2 2 14 14 LEU HD21 H 1 0.953 0.007 . 2 . . 654 . B 108 LEU HD21 . 36064 1 651 . 2 2 14 14 LEU HD22 H 1 0.953 0.007 . 2 . . 654 . B 108 LEU HD22 . 36064 1 652 . 2 2 14 14 LEU HD23 H 1 0.953 0.007 . 2 . . 654 . B 108 LEU HD23 . 36064 1 653 . 2 2 14 14 LEU CA C 13 57.895 0.127 . 1 . . 307 . B 108 LEU CA . 36064 1 654 . 2 2 14 14 LEU CB C 13 42.042 0.064 . 1 . . 249 . B 108 LEU CB . 36064 1 655 . 2 2 14 14 LEU CG C 13 27.902 0.051 . 1 . . 664 . B 108 LEU CG . 36064 1 656 . 2 2 14 14 LEU CD1 C 13 24.686 0.109 . 2 . . 665 . B 108 LEU CD1 . 36064 1 657 . 2 2 14 14 LEU CD2 C 13 24.612 0.033 . 2 . . 666 . B 108 LEU CD2 . 36064 1 658 . 2 2 14 14 LEU N N 15 120.709 0.049 . 1 . . 85 . B 108 LEU N . 36064 1 659 . 2 2 15 15 ARG H H 1 7.933 0.003 . 1 . . 196 . B 109 ARG H . 36064 1 660 . 2 2 15 15 ARG HA H 1 3.942 0.006 . 1 . . 468 . B 109 ARG HA . 36064 1 661 . 2 2 15 15 ARG HB2 H 1 1.976 0.007 . 1 . . 469 . B 109 ARG HB2 . 36064 1 662 . 2 2 15 15 ARG HG2 H 1 1.620 0.008 . 2 . . 865 . B 109 ARG HG2 . 36064 1 663 . 2 2 15 15 ARG HG3 H 1 1.862 0.004 . 2 . . 867 . B 109 ARG HG3 . 36064 1 664 . 2 2 15 15 ARG C C 13 179.129 . . 1 . . 13 . B 109 ARG C . 36064 1 665 . 2 2 15 15 ARG CA C 13 59.730 0.022 . 1 . . 212 . B 109 ARG CA . 36064 1 666 . 2 2 15 15 ARG CB C 13 30.105 0.042 . 1 . . 211 . B 109 ARG CB . 36064 1 667 . 2 2 15 15 ARG CG C 13 27.537 0.07 . 1 . . 866 . B 109 ARG CG . 36064 1 668 . 2 2 15 15 ARG N N 15 119.694 0.037 . 1 . . 195 . B 109 ARG N . 36064 1 669 . 2 2 16 16 ASP H H 1 8.263 0.003 . 1 . . 12 . B 110 ASP H . 36064 1 670 . 2 2 16 16 ASP HA H 1 4.527 0.002 . 1 . . 463 . B 110 ASP HA . 36064 1 671 . 2 2 16 16 ASP HB2 H 1 2.925 0.006 . 2 . . 465 . B 110 ASP HB2 . 36064 1 672 . 2 2 16 16 ASP HB3 H 1 2.815 0.004 . 2 . . 466 . B 110 ASP HB3 . 36064 1 673 . 2 2 16 16 ASP C C 13 179.458 . . 1 . . 361 . B 110 ASP C . 36064 1 674 . 2 2 16 16 ASP CA C 13 57.900 0.085 . 1 . . 214 . B 110 ASP CA . 36064 1 675 . 2 2 16 16 ASP CB C 13 40.637 0.053 . 1 . . 213 . B 110 ASP CB . 36064 1 676 . 2 2 16 16 ASP N N 15 119.274 0.03 . 1 . . 14 . B 110 ASP N . 36064 1 677 . 2 2 17 17 VAL H H 1 8.488 0.003 . 1 . . 112 . B 111 VAL H . 36064 1 678 . 2 2 17 17 VAL HA H 1 4.106 0.004 . 1 . . 460 . B 111 VAL HA . 36064 1 679 . 2 2 17 17 VAL HB H 1 2.186 0.007 . 1 . . 461 . B 111 VAL HB . 36064 1 680 . 2 2 17 17 VAL HG11 H 1 1.202 0.003 . 1 . . 467 . B 111 VAL HG11 . 36064 1 681 . 2 2 17 17 VAL HG12 H 1 1.202 0.003 . 1 . . 467 . B 111 VAL HG12 . 36064 1 682 . 2 2 17 17 VAL HG13 H 1 1.202 0.003 . 1 . . 467 . B 111 VAL HG13 . 36064 1 683 . 2 2 17 17 VAL C C 13 179.256 . . 1 . . 90 . B 111 VAL C . 36064 1 684 . 2 2 17 17 VAL CA C 13 65.618 0.056 . 1 . . 305 . B 111 VAL CA . 36064 1 685 . 2 2 17 17 VAL CB C 13 31.647 0.034 . 1 . . 263 . B 111 VAL CB . 36064 1 686 . 2 2 17 17 VAL CG1 C 13 22.924 0.028 . 1 . . 644 . B 111 VAL CG1 . 36064 1 687 . 2 2 17 17 VAL N N 15 117.815 0.028 . 1 . . 113 . B 111 VAL N . 36064 1 688 . 2 2 18 18 LYS H H 1 8.395 0.003 . 1 . . 89 . B 112 LYS H . 36064 1 689 . 2 2 18 18 LYS HA H 1 4.079 0.009 . 1 . . 754 . B 112 LYS HA . 36064 1 690 . 2 2 18 18 LYS HB2 H 1 1.995 0.008 . 2 . . 459 . B 112 LYS HB2 . 36064 1 691 . 2 2 18 18 LYS HB3 H 1 1.947 0.012 . 2 . . 462 . B 112 LYS HB3 . 36064 1 692 . 2 2 18 18 LYS HG2 H 1 1.625 0.006 . 2 . . 752 . B 112 LYS HG2 . 36064 1 693 . 2 2 18 18 LYS HG3 H 1 1.468 0.01 . 2 . . 753 . B 112 LYS HG3 . 36064 1 694 . 2 2 18 18 LYS HD2 H 1 1.695 0.005 . 2 . . 750 . B 112 LYS HD2 . 36064 1 695 . 2 2 18 18 LYS HD3 H 1 1.626 0.009 . 2 . . 751 . B 112 LYS HD3 . 36064 1 696 . 2 2 18 18 LYS HE2 H 1 2.843 0.003 . 2 . . 747 . B 112 LYS HE2 . 36064 1 697 . 2 2 18 18 LYS HE3 H 1 2.944 0.002 . 2 . . 748 . B 112 LYS HE3 . 36064 1 698 . 2 2 18 18 LYS C C 13 178.794 . . 1 . . 367 . B 112 LYS C . 36064 1 699 . 2 2 18 18 LYS CA C 13 59.915 0.034 . 1 . . 252 . B 112 LYS CA . 36064 1 700 . 2 2 18 18 LYS CB C 13 32.365 0.081 . 1 . . 251 . B 112 LYS CB . 36064 1 701 . 2 2 18 18 LYS CG C 13 26.283 0.124 . 1 . . 746 . B 112 LYS CG . 36064 1 702 . 2 2 18 18 LYS CD C 13 29.503 0.138 . 1 . . 749 . B 112 LYS CD . 36064 1 703 . 2 2 18 18 LYS CE C 13 42.004 0.035 . 1 . . 745 . B 112 LYS CE . 36064 1 704 . 2 2 18 18 LYS N N 15 124.870 0.033 . 1 . . 91 . B 112 LYS N . 36064 1 705 . 2 2 19 19 ASN H H 1 8.257 0.004 . 1 . . 155 . B 113 ASN H . 36064 1 706 . 2 2 19 19 ASN HA H 1 4.534 0.005 . 1 . . 458 . B 113 ASN HA . 36064 1 707 . 2 2 19 19 ASN HB2 H 1 2.912 0.006 . 2 . . 456 . B 113 ASN HB2 . 36064 1 708 . 2 2 19 19 ASN HB3 H 1 3.058 0.003 . 2 . . 457 . B 113 ASN HB3 . 36064 1 709 . 2 2 19 19 ASN HD21 H 1 6.944 0.001 . 1 . . 774 . B 113 ASN HD21 . 36064 1 710 . 2 2 19 19 ASN HD22 H 1 7.938 0.003 . 1 . . 776 . B 113 ASN HD22 . 36064 1 711 . 2 2 19 19 ASN C C 13 178.690 . . 1 . . 375 . B 113 ASN C . 36064 1 712 . 2 2 19 19 ASN CA C 13 56.308 0.053 . 1 . . 285 . B 113 ASN CA . 36064 1 713 . 2 2 19 19 ASN CB C 13 37.715 0.041 . 1 . . 284 . B 113 ASN CB . 36064 1 714 . 2 2 19 19 ASN N N 15 120.456 0.061 . 1 . . 156 . B 113 ASN N . 36064 1 715 . 2 2 19 19 ASN ND2 N 15 113.029 0.028 . 1 . . 775 . B 113 ASN ND2 . 36064 1 716 . 2 2 20 20 THR H H 1 8.427 0.006 . 1 . . 73 . B 114 THR H . 36064 1 717 . 2 2 20 20 THR HA H 1 3.539 0.003 . 1 . . 454 . B 114 THR HA . 36064 1 718 . 2 2 20 20 THR HB H 1 3.948 0.003 . 1 . . 625 . B 114 THR HB . 36064 1 719 . 2 2 20 20 THR HG21 H 1 0.583 0.003 . 1 . . 624 . B 114 THR HG21 . 36064 1 720 . 2 2 20 20 THR HG22 H 1 0.583 0.003 . 1 . . 624 . B 114 THR HG22 . 36064 1 721 . 2 2 20 20 THR HG23 H 1 0.583 0.003 . 1 . . 624 . B 114 THR HG23 . 36064 1 722 . 2 2 20 20 THR C C 13 174.362 . . 1 . . 376 . B 114 THR C . 36064 1 723 . 2 2 20 20 THR CA C 13 66.588 0.056 . 1 . . 247 . B 114 THR CA . 36064 1 724 . 2 2 20 20 THR CB C 13 68.382 . . 1 . . 626 . B 114 THR CB . 36064 1 725 . 2 2 20 20 THR CG2 C 13 22.444 0.051 . 1 . . 627 . B 114 THR CG2 . 36064 1 726 . 2 2 20 20 THR N N 15 119.357 0.069 . 1 . . 74 . B 114 THR N . 36064 1 727 . 2 2 21 21 ASN H H 1 8.158 0.007 . 1 . . 75 . B 115 ASN H . 36064 1 728 . 2 2 21 21 ASN HA H 1 4.333 0.008 . 1 . . 451 . B 115 ASN HA . 36064 1 729 . 2 2 21 21 ASN HB2 H 1 3.383 0.001 . 2 . . 452 . B 115 ASN HB2 . 36064 1 730 . 2 2 21 21 ASN HB3 H 1 2.871 0.004 . 2 . . 453 . B 115 ASN HB3 . 36064 1 731 . 2 2 21 21 ASN HD21 H 1 6.244 0.004 . 1 . . 455 . B 115 ASN HD21 . 36064 1 732 . 2 2 21 21 ASN HD22 H 1 7.890 0.01 . 1 . . 911 . B 115 ASN HD22 . 36064 1 733 . 2 2 21 21 ASN C C 13 177.222 . . 1 . . 124 . B 115 ASN C . 36064 1 734 . 2 2 21 21 ASN CA C 13 58.914 0.036 . 1 . . 270 . B 115 ASN CA . 36064 1 735 . 2 2 21 21 ASN CB C 13 41.135 . . 1 . . 269 . B 115 ASN CB . 36064 1 736 . 2 2 21 21 ASN N N 15 121.552 0.048 . 1 . . 76 . B 115 ASN N . 36064 1 737 . 2 2 21 21 ASN ND2 N 15 105.414 0.047 . 1 . . 920 . B 115 ASN ND2 . 36064 1 738 . 2 2 22 22 SER H H 1 8.296 0.004 . 1 . . 123 . B 116 SER H . 36064 1 739 . 2 2 22 22 SER HA H 1 4.182 0.001 . 1 . . 450 . B 116 SER HA . 36064 1 740 . 2 2 22 22 SER HB2 H 1 4.056 0.009 . 2 . . 631 . B 116 SER HB2 . 36064 1 741 . 2 2 22 22 SER HB3 H 1 4.093 0.011 . 2 . . 632 . B 116 SER HB3 . 36064 1 742 . 2 2 22 22 SER C C 13 177.185 . . 1 . . 107 . B 116 SER C . 36064 1 743 . 2 2 22 22 SER CA C 13 61.807 0.102 . 1 . . 271 . B 116 SER CA . 36064 1 744 . 2 2 22 22 SER CB C 13 62.727 0.024 . 1 . . 371 . B 116 SER CB . 36064 1 745 . 2 2 22 22 SER N N 15 113.631 0.039 . 1 . . 125 . B 116 SER N . 36064 1 746 . 2 2 23 23 ARG H H 1 7.984 0.003 . 1 . . 106 . B 117 ARG H . 36064 1 747 . 2 2 23 23 ARG HA H 1 4.104 0.002 . 1 . . 448 . B 117 ARG HA . 36064 1 748 . 2 2 23 23 ARG HB2 H 1 1.918 0.003 . 1 . . 449 . B 117 ARG HB2 . 36064 1 749 . 2 2 23 23 ARG HG2 H 1 1.581 0.005 . 2 . . 891 . B 117 ARG HG2 . 36064 1 750 . 2 2 23 23 ARG HG3 H 1 1.800 0.003 . 2 . . 892 . B 117 ARG HG3 . 36064 1 751 . 2 2 23 23 ARG HD2 H 1 3.193 0.001 . 1 . . 894 . B 117 ARG HD2 . 36064 1 752 . 2 2 23 23 ARG C C 13 180.119 . . 1 . . 145 . B 117 ARG C . 36064 1 753 . 2 2 23 23 ARG CA C 13 59.832 0.027 . 1 . . 323 . B 117 ARG CA . 36064 1 754 . 2 2 23 23 ARG CB C 13 30.018 0.036 . 1 . . 324 . B 117 ARG CB . 36064 1 755 . 2 2 23 23 ARG CG C 13 27.793 0.015 . 1 . . 893 . B 117 ARG CG . 36064 1 756 . 2 2 23 23 ARG N N 15 122.895 0.031 . 1 . . 108 . B 117 ARG N . 36064 1 757 . 2 2 24 24 PHE H H 1 8.981 0.003 . 1 . . 144 . B 118 PHE H . 36064 1 758 . 2 2 24 24 PHE HA H 1 4.720 0.005 . 1 . . 446 . B 118 PHE HA . 36064 1 759 . 2 2 24 24 PHE HB2 H 1 3.341 0.002 . 2 . . 441 . B 118 PHE HB2 . 36064 1 760 . 2 2 24 24 PHE HB3 H 1 3.111 0.001 . 2 . . 442 . B 118 PHE HB3 . 36064 1 761 . 2 2 24 24 PHE HD1 H 1 7.078 0.006 . 1 . . 447 . B 118 PHE HD1 . 36064 1 762 . 2 2 24 24 PHE HD2 H 1 7.078 0.006 . 1 . . 447 . B 118 PHE HD2 . 36064 1 763 . 2 2 24 24 PHE HE1 H 1 7.310 0.005 . 1 . . 936 . B 118 PHE HE1 . 36064 1 764 . 2 2 24 24 PHE HE2 H 1 7.310 0.005 . 1 . . 936 . B 118 PHE HE2 . 36064 1 765 . 2 2 24 24 PHE HZ H 1 7.200 0.003 . 1 . . 937 . B 118 PHE HZ . 36064 1 766 . 2 2 24 24 PHE C C 13 178.376 . . 1 . . 368 . B 118 PHE C . 36064 1 767 . 2 2 24 24 PHE CA C 13 58.016 . . 1 . . 322 . B 118 PHE CA . 36064 1 768 . 2 2 24 24 PHE CB C 13 38.433 0.131 . 1 . . 321 . B 118 PHE CB . 36064 1 769 . 2 2 24 24 PHE N N 15 120.713 0.075 . 1 . . 146 . B 118 PHE N . 36064 1 770 . 2 2 25 25 ARG H H 1 8.766 0.003 . 1 . . 44 . B 119 ARG H . 36064 1 771 . 2 2 25 25 ARG HA H 1 3.990 0.004 . 1 . . 439 . B 119 ARG HA . 36064 1 772 . 2 2 25 25 ARG HB2 H 1 1.954 0.008 . 1 . . 443 . B 119 ARG HB2 . 36064 1 773 . 2 2 25 25 ARG HG2 H 1 1.615 . . 1 . . 908 . B 119 ARG HG2 . 36064 1 774 . 2 2 25 25 ARG C C 13 179.494 . . 1 . . 88 . B 119 ARG C . 36064 1 775 . 2 2 25 25 ARG CA C 13 60.785 0.069 . 1 . . 232 . B 119 ARG CA . 36064 1 776 . 2 2 25 25 ARG CB C 13 29.921 0.083 . 1 . . 369 . B 119 ARG CB . 36064 1 777 . 2 2 25 25 ARG CD C 13 43.557 . . 1 . . 890 . B 119 ARG CD . 36064 1 778 . 2 2 25 25 ARG N N 15 120.303 0.031 . 1 . . 45 . B 119 ARG N . 36064 1 779 . 2 2 26 26 LYS H H 1 7.822 0.003 . 1 . . 170 . B 120 LYS H . 36064 1 780 . 2 2 26 26 LYS HA H 1 4.165 0.002 . 1 . . 437 . B 120 LYS HA . 36064 1 781 . 2 2 26 26 LYS HB2 H 1 1.978 0.004 . 1 . . 438 . B 120 LYS HB2 . 36064 1 782 . 2 2 26 26 LYS HG2 H 1 1.441 0.001 . 2 . . 769 . B 120 LYS HG2 . 36064 1 783 . 2 2 26 26 LYS HG3 H 1 1.565 . . 2 . . 770 . B 120 LYS HG3 . 36064 1 784 . 2 2 26 26 LYS HD2 H 1 1.720 0.006 . 1 . . 767 . B 120 LYS HD2 . 36064 1 785 . 2 2 26 26 LYS HE2 H 1 2.978 0.001 . 1 . . 766 . B 120 LYS HE2 . 36064 1 786 . 2 2 26 26 LYS C C 13 178.427 . . 1 . . 347 . B 120 LYS C . 36064 1 787 . 2 2 26 26 LYS CA C 13 59.591 0.056 . 1 . . 287 . B 120 LYS CA . 36064 1 788 . 2 2 26 26 LYS CB C 13 32.584 0.041 . 1 . . 333 . B 120 LYS CB . 36064 1 789 . 2 2 26 26 LYS CD C 13 29.800 . . 1 . . 768 . B 120 LYS CD . 36064 1 790 . 2 2 26 26 LYS CE C 13 42.200 0.003 . 1 . . 765 . B 120 LYS CE . 36064 1 791 . 2 2 26 26 LYS N N 15 120.290 0.074 . 1 . . 169 . B 120 LYS N . 36064 1 792 . 2 2 27 27 ALA H H 1 8.275 0.003 . 1 . . 18 . B 121 ALA H . 36064 1 793 . 2 2 27 27 ALA HA H 1 4.289 0.002 . 1 . . 436 . B 121 ALA HA . 36064 1 794 . 2 2 27 27 ALA HB1 H 1 1.619 0.004 . 1 . . 435 . B 121 ALA HB1 . 36064 1 795 . 2 2 27 27 ALA HB2 H 1 1.619 0.004 . 1 . . 435 . B 121 ALA HB2 . 36064 1 796 . 2 2 27 27 ALA HB3 H 1 1.619 0.004 . 1 . . 435 . B 121 ALA HB3 . 36064 1 797 . 2 2 27 27 ALA C C 13 180.288 . . 1 . . 102 . B 121 ALA C . 36064 1 798 . 2 2 27 27 ALA CA C 13 55.037 0.046 . 1 . . 217 . B 121 ALA CA . 36064 1 799 . 2 2 27 27 ALA CB C 13 18.291 0.041 . 1 . . 216 . B 121 ALA CB . 36064 1 800 . 2 2 27 27 ALA N N 15 122.508 0.038 . 1 . . 19 . B 121 ALA N . 36064 1 801 . 2 2 28 28 LEU H H 1 8.670 0.004 . 1 . . 2 . B 122 LEU H . 36064 1 802 . 2 2 28 28 LEU HA H 1 3.970 0.01 . 1 . . 431 . B 122 LEU HA . 36064 1 803 . 2 2 28 28 LEU HB2 H 1 1.985 0.004 . 2 . . 432 . B 122 LEU HB2 . 36064 1 804 . 2 2 28 28 LEU HB3 H 1 1.578 0.014 . 2 . . 433 . B 122 LEU HB3 . 36064 1 805 . 2 2 28 28 LEU HG H 1 1.662 0.003 . 1 . . 931 . B 122 LEU HG . 36064 1 806 . 2 2 28 28 LEU HD11 H 1 0.917 0.012 . 2 . . 675 . B 122 LEU HD11 . 36064 1 807 . 2 2 28 28 LEU HD12 H 1 0.917 0.012 . 2 . . 675 . B 122 LEU HD12 . 36064 1 808 . 2 2 28 28 LEU HD13 H 1 0.917 0.012 . 2 . . 675 . B 122 LEU HD13 . 36064 1 809 . 2 2 28 28 LEU HD21 H 1 0.945 0.008 . 2 . . 678 . B 122 LEU HD21 . 36064 1 810 . 2 2 28 28 LEU HD22 H 1 0.945 0.008 . 2 . . 678 . B 122 LEU HD22 . 36064 1 811 . 2 2 28 28 LEU HD23 H 1 0.945 0.008 . 2 . . 678 . B 122 LEU HD23 . 36064 1 812 . 2 2 28 28 LEU C C 13 178.305 . . 1 . . 93 . B 122 LEU C . 36064 1 813 . 2 2 28 28 LEU CA C 13 58.565 0.059 . 1 . . 201 . B 122 LEU CA . 36064 1 814 . 2 2 28 28 LEU CB C 13 41.465 0.083 . 1 . . 253 . B 122 LEU CB . 36064 1 815 . 2 2 28 28 LEU CD1 C 13 24.160 0.025 . 2 . . 679 . B 122 LEU CD1 . 36064 1 816 . 2 2 28 28 LEU CD2 C 13 26.436 0.059 . 2 . . 680 . B 122 LEU CD2 . 36064 1 817 . 2 2 28 28 LEU N N 15 118.869 0.034 . 1 . . 1 . B 122 LEU N . 36064 1 818 . 2 2 29 29 MET H H 1 7.595 0.004 . 1 . . 92 . B 123 MET H . 36064 1 819 . 2 2 29 29 MET HA H 1 4.210 0.01 . 1 . . 430 . B 123 MET HA . 36064 1 820 . 2 2 29 29 MET HB2 H 1 2.285 0.002 . 1 . . 434 . B 123 MET HB2 . 36064 1 821 . 2 2 29 29 MET HG2 H 1 2.608 0.003 . 2 . . 821 . B 123 MET HG2 . 36064 1 822 . 2 2 29 29 MET HG3 H 1 2.762 0.005 . 2 . . 822 . B 123 MET HG3 . 36064 1 823 . 2 2 29 29 MET CA C 13 58.684 0.073 . 1 . . 820 . B 123 MET CA . 36064 1 824 . 2 2 29 29 MET CB C 13 32.393 0.055 . 1 . . 273 . B 123 MET CB . 36064 1 825 . 2 2 29 29 MET CG C 13 31.852 0.065 . 1 . . 823 . B 123 MET CG . 36064 1 826 . 2 2 29 29 MET N N 15 118.202 0.04 . 1 . . 94 . B 123 MET N . 36064 1 827 . 2 2 30 30 GLU H H 1 8.175 0.004 . 1 . . 388 . B 124 GLU H . 36064 1 828 . 2 2 30 30 GLU HA H 1 4.117 0.008 . 1 . . 429 . B 124 GLU HA . 36064 1 829 . 2 2 30 30 GLU HB2 H 1 2.137 0.013 . 2 . . 427 . B 124 GLU HB2 . 36064 1 830 . 2 2 30 30 GLU HB3 H 1 2.300 0.004 . 2 . . 428 . B 124 GLU HB3 . 36064 1 831 . 2 2 30 30 GLU HG2 H 1 2.542 0.008 . 2 . . 842 . B 124 GLU HG2 . 36064 1 832 . 2 2 30 30 GLU HG3 H 1 2.287 0.006 . 2 . . 843 . B 124 GLU HG3 . 36064 1 833 . 2 2 30 30 GLU C C 13 180.572 . . 1 . . 385 . B 124 GLU C . 36064 1 834 . 2 2 30 30 GLU CA C 13 59.445 0.044 . 1 . . 393 . B 124 GLU CA . 36064 1 835 . 2 2 30 30 GLU CB C 13 29.361 0.066 . 1 . . 392 . B 124 GLU CB . 36064 1 836 . 2 2 30 30 GLU CG C 13 36.476 0.058 . 1 . . 841 . B 124 GLU CG . 36064 1 837 . 2 2 30 30 GLU N N 15 119.657 0.028 . 1 . . 387 . B 124 GLU N . 36064 1 838 . 2 2 31 31 LYS H H 1 8.615 0.002 . 1 . . 23 . B 125 LYS H . 36064 1 839 . 2 2 31 31 LYS HA H 1 4.267 0.006 . 1 . . 425 . B 125 LYS HA . 36064 1 840 . 2 2 31 31 LYS HB2 H 1 1.686 0.009 . 2 . . 426 . B 125 LYS HB2 . 36064 1 841 . 2 2 31 31 LYS HB3 H 1 2.125 0.011 . 2 . . 735 . B 125 LYS HB3 . 36064 1 842 . 2 2 31 31 LYS HG2 H 1 1.822 0.006 . 2 . . 730 . B 125 LYS HG2 . 36064 1 843 . 2 2 31 31 LYS HG3 H 1 1.567 0.008 . 2 . . 734 . B 125 LYS HG3 . 36064 1 844 . 2 2 31 31 LYS HD2 H 1 1.526 0.005 . 2 . . 727 . B 125 LYS HD2 . 36064 1 845 . 2 2 31 31 LYS HD3 H 1 1.723 0.006 . 2 . . 729 . B 125 LYS HD3 . 36064 1 846 . 2 2 31 31 LYS HE2 H 1 2.903 0.015 . 2 . . 726 . B 125 LYS HE2 . 36064 1 847 . 2 2 31 31 LYS HE3 H 1 2.989 0.006 . 2 . . 733 . B 125 LYS HE3 . 36064 1 848 . 2 2 31 31 LYS CA C 13 57.925 0.041 . 1 . . 294 . B 125 LYS CA . 36064 1 849 . 2 2 31 31 LYS CB C 13 31.782 0.102 . 1 . . 220 . B 125 LYS CB . 36064 1 850 . 2 2 31 31 LYS CG C 13 25.212 0.056 . 1 . . 731 . B 125 LYS CG . 36064 1 851 . 2 2 31 31 LYS CD C 13 28.003 0.102 . 1 . . 728 . B 125 LYS CD . 36064 1 852 . 2 2 31 31 LYS CE C 13 42.363 0.037 . 1 . . 732 . B 125 LYS CE . 36064 1 853 . 2 2 31 31 LYS N N 15 119.993 0.039 . 1 . . 24 . B 125 LYS N . 36064 1 854 . 2 2 32 32 GLU H H 1 8.668 0.003 . 1 . . 194 . B 126 GLU H . 36064 1 855 . 2 2 32 32 GLU HA H 1 4.295 0.002 . 1 . . 423 . B 126 GLU HA . 36064 1 856 . 2 2 32 32 GLU HB2 H 1 2.134 0.001 . 1 . . 424 . B 126 GLU HB2 . 36064 1 857 . 2 2 32 32 GLU HG2 H 1 2.342 0.005 . 2 . . 851 . B 126 GLU HG2 . 36064 1 858 . 2 2 32 32 GLU HG3 H 1 2.308 0.005 . 2 . . 852 . B 126 GLU HG3 . 36064 1 859 . 2 2 32 32 GLU CA C 13 59.191 0.075 . 1 . . 359 . B 126 GLU CA . 36064 1 860 . 2 2 32 32 GLU CB C 13 29.092 0.067 . 1 . . 292 . B 126 GLU CB . 36064 1 861 . 2 2 32 32 GLU CG C 13 35.079 0.03 . 1 . . 853 . B 126 GLU CG . 36064 1 862 . 2 2 32 32 GLU N N 15 120.958 0.05 . 1 . . 193 . B 126 GLU N . 36064 1 863 . 2 2 33 33 ASN H H 1 8.102 0.002 . 1 . . 166 . B 127 ASN H . 36064 1 864 . 2 2 33 33 ASN HA H 1 4.472 0.004 . 1 . . 422 . B 127 ASN HA . 36064 1 865 . 2 2 33 33 ASN HB2 H 1 2.858 0.004 . 2 . . 420 . B 127 ASN HB2 . 36064 1 866 . 2 2 33 33 ASN HB3 H 1 2.983 0.002 . 2 . . 421 . B 127 ASN HB3 . 36064 1 867 . 2 2 33 33 ASN HD21 H 1 7.720 0.004 . 1 . . 771 . B 127 ASN HD21 . 36064 1 868 . 2 2 33 33 ASN HD22 H 1 6.909 0.001 . 1 . . 773 . B 127 ASN HD22 . 36064 1 869 . 2 2 33 33 ASN C C 13 178.418 . . 1 . . 348 . B 127 ASN C . 36064 1 870 . 2 2 33 33 ASN CA C 13 56.218 0.093 . 1 . . 199 . B 127 ASN CA . 36064 1 871 . 2 2 33 33 ASN CB C 13 37.806 0.058 . 1 . . 200 . B 127 ASN CB . 36064 1 872 . 2 2 33 33 ASN N N 15 117.921 0.053 . 1 . . 165 . B 127 ASN N . 36064 1 873 . 2 2 33 33 ASN ND2 N 15 112.249 0.027 . 1 . . 772 . B 127 ASN ND2 . 36064 1 874 . 2 2 34 34 GLU H H 1 8.088 0.003 . 1 . . 28 . B 128 GLU H . 36064 1 875 . 2 2 34 34 GLU HA H 1 4.078 0.004 . 1 . . 419 . B 128 GLU HA . 36064 1 876 . 2 2 34 34 GLU HB2 H 1 2.176 0.006 . 2 . . 418 . B 128 GLU HB2 . 36064 1 877 . 2 2 34 34 GLU HB3 H 1 2.406 0.003 . 2 . . 849 . B 128 GLU HB3 . 36064 1 878 . 2 2 34 34 GLU HG2 H 1 2.133 0.005 . 1 . . 850 . B 128 GLU HG2 . 36064 1 879 . 2 2 34 34 GLU C C 13 178.451 . . 1 . . 353 . B 128 GLU C . 36064 1 880 . 2 2 34 34 GLU CA C 13 59.561 0.015 . 1 . . 224 . B 128 GLU CA . 36064 1 881 . 2 2 34 34 GLU CB C 13 29.886 0.042 . 1 . . 223 . B 128 GLU CB . 36064 1 882 . 2 2 34 34 GLU CG C 13 36.005 0.041 . 1 . . 848 . B 128 GLU CG . 36064 1 883 . 2 2 34 34 GLU N N 15 123.328 0.038 . 1 . . 29 . B 128 GLU N . 36064 1 884 . 2 2 35 35 LEU H H 1 8.659 0.005 . 1 . . 65 . B 129 LEU H . 36064 1 885 . 2 2 35 35 LEU HA H 1 3.988 0.004 . 1 . . 415 . B 129 LEU HA . 36064 1 886 . 2 2 35 35 LEU HB2 H 1 2.111 0.003 . 2 . . 416 . B 129 LEU HB2 . 36064 1 887 . 2 2 35 35 LEU HB3 H 1 1.574 0.013 . 2 . . 417 . B 129 LEU HB3 . 36064 1 888 . 2 2 35 35 LEU HD11 H 1 0.923 0.005 . 2 . . 681 . B 129 LEU HD11 . 36064 1 889 . 2 2 35 35 LEU HD12 H 1 0.923 0.005 . 2 . . 681 . B 129 LEU HD12 . 36064 1 890 . 2 2 35 35 LEU HD13 H 1 0.923 0.005 . 2 . . 681 . B 129 LEU HD13 . 36064 1 891 . 2 2 35 35 LEU HD21 H 1 0.965 0.011 . 2 . . 682 . B 129 LEU HD21 . 36064 1 892 . 2 2 35 35 LEU HD22 H 1 0.965 0.011 . 2 . . 682 . B 129 LEU HD22 . 36064 1 893 . 2 2 35 35 LEU HD23 H 1 0.965 0.011 . 2 . . 682 . B 129 LEU HD23 . 36064 1 894 . 2 2 35 35 LEU C C 13 178.368 . . 1 . . 351 . B 129 LEU C . 36064 1 895 . 2 2 35 35 LEU CA C 13 58.796 0.111 . 1 . . 303 . B 129 LEU CA . 36064 1 896 . 2 2 35 35 LEU CB C 13 41.863 0.115 . 1 . . 304 . B 129 LEU CB . 36064 1 897 . 2 2 35 35 LEU CD1 C 13 24.473 0.022 . 2 . . 683 . B 129 LEU CD1 . 36064 1 898 . 2 2 35 35 LEU CD2 C 13 26.583 0.048 . 2 . . 684 . B 129 LEU CD2 . 36064 1 899 . 2 2 35 35 LEU N N 15 120.966 0.054 . 1 . . 66 . B 129 LEU N . 36064 1 900 . 2 2 36 36 GLN H H 1 8.581 0.002 . 1 . . 59 . B 130 GLN H . 36064 1 901 . 2 2 36 36 GLN HA H 1 3.969 0.007 . 1 . . 413 . B 130 GLN HA . 36064 1 902 . 2 2 36 36 GLN HB2 H 1 2.169 0.02 . 2 . . 414 . B 130 GLN HB2 . 36064 1 903 . 2 2 36 36 GLN HB3 H 1 2.130 0.01 . 2 . . 808 . B 130 GLN HB3 . 36064 1 904 . 2 2 36 36 GLN HG2 H 1 2.615 0.004 . 1 . . 809 . B 130 GLN HG2 . 36064 1 905 . 2 2 36 36 GLN HE21 H 1 6.800 0.003 . 1 . . 811 . B 130 GLN HE21 . 36064 1 906 . 2 2 36 36 GLN HE22 H 1 7.778 0.001 . 1 . . 812 . B 130 GLN HE22 . 36064 1 907 . 2 2 36 36 GLN C C 13 179.146 . . 1 . . 350 . B 130 GLN C . 36064 1 908 . 2 2 36 36 GLN CA C 13 58.572 . . 1 . . 198 . B 130 GLN CA . 36064 1 909 . 2 2 36 36 GLN CB C 13 27.668 0.041 . 1 . . 197 . B 130 GLN CB . 36064 1 910 . 2 2 36 36 GLN CG C 13 33.462 0.004 . 1 . . 810 . B 130 GLN CG . 36064 1 911 . 2 2 36 36 GLN N N 15 116.012 0.025 . 1 . . 60 . B 130 GLN N . 36064 1 912 . 2 2 36 36 GLN NE2 N 15 113.100 0.053 . 1 . . 813 . B 130 GLN NE2 . 36064 1 913 . 2 2 37 37 ALA H H 1 7.834 0.003 . 1 . . 49 . B 131 ALA H . 36064 1 914 . 2 2 37 37 ALA HA H 1 4.108 0.003 . 1 . . 410 . B 131 ALA HA . 36064 1 915 . 2 2 37 37 ALA HB1 H 1 1.542 0.004 . 1 . . 411 . B 131 ALA HB1 . 36064 1 916 . 2 2 37 37 ALA HB2 H 1 1.542 0.004 . 1 . . 411 . B 131 ALA HB2 . 36064 1 917 . 2 2 37 37 ALA HB3 H 1 1.542 0.004 . 1 . . 411 . B 131 ALA HB3 . 36064 1 918 . 2 2 37 37 ALA C C 13 180.847 . . 1 . . 8 . B 131 ALA C . 36064 1 919 . 2 2 37 37 ALA CA C 13 55.172 0.062 . 1 . . 235 . B 131 ALA CA . 36064 1 920 . 2 2 37 37 ALA CB C 13 17.904 0.049 . 1 . . 234 . B 131 ALA CB . 36064 1 921 . 2 2 37 37 ALA N N 15 121.636 0.03 . 1 . . 50 . B 131 ALA N . 36064 1 922 . 2 2 38 38 LEU H H 1 7.904 0.005 . 1 . . 7 . B 132 LEU H . 36064 1 923 . 2 2 38 38 LEU HA H 1 4.060 0.005 . 1 . . 409 . B 132 LEU HA . 36064 1 924 . 2 2 38 38 LEU HB2 H 1 1.361 0.007 . 2 . . 685 . B 132 LEU HB2 . 36064 1 925 . 2 2 38 38 LEU HB3 H 1 2.152 0.011 . 2 . . 923 . B 132 LEU HB3 . 36064 1 926 . 2 2 38 38 LEU HG H 1 1.914 0.006 . 1 . . 921 . B 132 LEU HG . 36064 1 927 . 2 2 38 38 LEU HD11 H 1 1.011 0.006 . 2 . . 711 . B 132 LEU HD11 . 36064 1 928 . 2 2 38 38 LEU HD12 H 1 1.011 0.006 . 2 . . 711 . B 132 LEU HD12 . 36064 1 929 . 2 2 38 38 LEU HD13 H 1 1.011 0.006 . 2 . . 711 . B 132 LEU HD13 . 36064 1 930 . 2 2 38 38 LEU HD21 H 1 0.846 0.007 . 2 . . 713 . B 132 LEU HD21 . 36064 1 931 . 2 2 38 38 LEU HD22 H 1 0.846 0.007 . 2 . . 713 . B 132 LEU HD22 . 36064 1 932 . 2 2 38 38 LEU HD23 H 1 0.846 0.007 . 2 . . 713 . B 132 LEU HD23 . 36064 1 933 . 2 2 38 38 LEU C C 13 178.714 . . 1 . . 118 . B 132 LEU C . 36064 1 934 . 2 2 38 38 LEU CA C 13 58.179 0.081 . 1 . . 209 . B 132 LEU CA . 36064 1 935 . 2 2 38 38 LEU CB C 13 42.773 0.066 . 1 . . 208 . B 132 LEU CB . 36064 1 936 . 2 2 38 38 LEU CG C 13 27.277 0.07 . 1 . . 922 . B 132 LEU CG . 36064 1 937 . 2 2 38 38 LEU CD1 C 13 28.091 0.029 . 2 . . 712 . B 132 LEU CD1 . 36064 1 938 . 2 2 38 38 LEU CD2 C 13 23.962 0.029 . 2 . . 714 . B 132 LEU CD2 . 36064 1 939 . 2 2 38 38 LEU N N 15 120.725 0.057 . 1 . . 9 . B 132 LEU N . 36064 1 940 . 2 2 39 39 ILE H H 1 8.434 0.005 . 1 . . 117 . B 133 ILE H . 36064 1 941 . 2 2 39 39 ILE HA H 1 3.612 0.007 . 1 . . 407 . B 133 ILE HA . 36064 1 942 . 2 2 39 39 ILE HB H 1 1.880 0.018 . 1 . . 408 . B 133 ILE HB . 36064 1 943 . 2 2 39 39 ILE HG12 H 1 1.728 0.006 . 2 . . 619 . B 133 ILE HG12 . 36064 1 944 . 2 2 39 39 ILE HG13 H 1 1.038 0.008 . 2 . . 620 . B 133 ILE HG13 . 36064 1 945 . 2 2 39 39 ILE HG21 H 1 0.862 0.006 . 1 . . 621 . B 133 ILE HG21 . 36064 1 946 . 2 2 39 39 ILE HG22 H 1 0.862 0.006 . 1 . . 621 . B 133 ILE HG22 . 36064 1 947 . 2 2 39 39 ILE HG23 H 1 0.862 0.006 . 1 . . 621 . B 133 ILE HG23 . 36064 1 948 . 2 2 39 39 ILE HD11 H 1 0.793 0.007 . 1 . . 608 . B 133 ILE HD11 . 36064 1 949 . 2 2 39 39 ILE HD12 H 1 0.793 0.007 . 1 . . 608 . B 133 ILE HD12 . 36064 1 950 . 2 2 39 39 ILE HD13 H 1 0.793 0.007 . 1 . . 608 . B 133 ILE HD13 . 36064 1 951 . 2 2 39 39 ILE C C 13 179.803 . . 1 . . 358 . B 133 ILE C . 36064 1 952 . 2 2 39 39 ILE CA C 13 65.371 0.089 . 1 . . 268 . B 133 ILE CA . 36064 1 953 . 2 2 39 39 ILE CB C 13 38.043 0.056 . 1 . . 310 . B 133 ILE CB . 36064 1 954 . 2 2 39 39 ILE CG1 C 13 29.896 0.038 . 1 . . 610 . B 133 ILE CG1 . 36064 1 955 . 2 2 39 39 ILE CG2 C 13 16.957 0.03 . 1 . . 611 . B 133 ILE CG2 . 36064 1 956 . 2 2 39 39 ILE CD1 C 13 13.507 0.058 . 1 . . 609 . B 133 ILE CD1 . 36064 1 957 . 2 2 39 39 ILE N N 15 120.482 0.04 . 1 . . 119 . B 133 ILE N . 36064 1 958 . 2 2 40 40 ARG H H 1 7.923 0.004 . 1 . . 157 . B 134 ARG H . 36064 1 959 . 2 2 40 40 ARG HA H 1 4.065 0.008 . 1 . . 406 . B 134 ARG HA . 36064 1 960 . 2 2 40 40 ARG HB2 H 1 1.917 0.014 . 1 . . 405 . B 134 ARG HB2 . 36064 1 961 . 2 2 40 40 ARG HG2 H 1 1.842 0.006 . 2 . . 885 . B 134 ARG HG2 . 36064 1 962 . 2 2 40 40 ARG HG3 H 1 1.616 0.008 . 2 . . 887 . B 134 ARG HG3 . 36064 1 963 . 2 2 40 40 ARG HD2 H 1 3.216 0.004 . 1 . . 889 . B 134 ARG HD2 . 36064 1 964 . 2 2 40 40 ARG C C 13 178.552 . . 1 . . 142 . B 134 ARG C . 36064 1 965 . 2 2 40 40 ARG CA C 13 59.227 0.029 . 1 . . 327 . B 134 ARG CA . 36064 1 966 . 2 2 40 40 ARG CB C 13 30.134 0.124 . 1 . . 328 . B 134 ARG CB . 36064 1 967 . 2 2 40 40 ARG CG C 13 27.885 0.065 . 1 . . 886 . B 134 ARG CG . 36064 1 968 . 2 2 40 40 ARG CD C 13 43.648 0.087 . 1 . . 888 . B 134 ARG CD . 36064 1 969 . 2 2 40 40 ARG N N 15 119.258 0.049 . 1 . . 158 . B 134 ARG N . 36064 1 970 . 2 2 41 41 LYS H H 1 7.657 0.006 . 1 . . 141 . B 135 LYS H . 36064 1 971 . 2 2 41 41 LYS HA H 1 4.099 0.006 . 1 . . 404 . B 135 LYS HA . 36064 1 972 . 2 2 41 41 LYS HB2 H 1 1.964 0.005 . 1 . . 403 . B 135 LYS HB2 . 36064 1 973 . 2 2 41 41 LYS HG2 H 1 1.476 0.007 . 2 . . 757 . B 135 LYS HG2 . 36064 1 974 . 2 2 41 41 LYS HG3 H 1 1.602 0.008 . 2 . . 758 . B 135 LYS HG3 . 36064 1 975 . 2 2 41 41 LYS HD2 H 1 1.692 0.002 . 1 . . 759 . B 135 LYS HD2 . 36064 1 976 . 2 2 41 41 LYS HE2 H 1 2.969 0.002 . 1 . . 724 . B 135 LYS HE2 . 36064 1 977 . 2 2 41 41 LYS CA C 13 58.536 0.068 . 1 . . 320 . B 135 LYS CA . 36064 1 978 . 2 2 41 41 LYS CB C 13 33.246 0.052 . 1 . . 280 . B 135 LYS CB . 36064 1 979 . 2 2 41 41 LYS CG C 13 25.458 0.064 . 1 . . 755 . B 135 LYS CG . 36064 1 980 . 2 2 41 41 LYS CD C 13 29.426 0.069 . 1 . . 756 . B 135 LYS CD . 36064 1 981 . 2 2 41 41 LYS CE C 13 42.115 0.015 . 1 . . 725 . B 135 LYS CE . 36064 1 982 . 2 2 41 41 LYS N N 15 118.968 0.043 . 1 . . 143 . B 135 LYS N . 36064 1 983 . 2 2 42 42 LEU H H 1 8.157 0.003 . 1 . . 180 . B 136 LEU H . 36064 1 984 . 2 2 42 42 LEU HA H 1 4.129 0.009 . 1 . . 400 . B 136 LEU HA . 36064 1 985 . 2 2 42 42 LEU HB2 H 1 1.784 0.007 . 2 . . 398 . B 136 LEU HB2 . 36064 1 986 . 2 2 42 42 LEU HB3 H 1 1.676 0.006 . 2 . . 399 . B 136 LEU HB3 . 36064 1 987 . 2 2 42 42 LEU HG H 1 1.668 0.003 . 1 . . 670 . B 136 LEU HG . 36064 1 988 . 2 2 42 42 LEU HD11 H 1 0.842 0.009 . 2 . . 667 . B 136 LEU HD11 . 36064 1 989 . 2 2 42 42 LEU HD12 H 1 0.842 0.009 . 2 . . 667 . B 136 LEU HD12 . 36064 1 990 . 2 2 42 42 LEU HD13 H 1 0.842 0.009 . 2 . . 667 . B 136 LEU HD13 . 36064 1 991 . 2 2 42 42 LEU HD21 H 1 0.905 0.008 . 2 . . 668 . B 136 LEU HD21 . 36064 1 992 . 2 2 42 42 LEU HD22 H 1 0.905 0.008 . 2 . . 668 . B 136 LEU HD22 . 36064 1 993 . 2 2 42 42 LEU HD23 H 1 0.905 0.008 . 2 . . 668 . B 136 LEU HD23 . 36064 1 994 . 2 2 42 42 LEU C C 13 178.289 0.001 . 1 . . 79 . B 136 LEU C . 36064 1 995 . 2 2 42 42 LEU CA C 13 56.553 0.072 . 1 . . 335 . B 136 LEU CA . 36064 1 996 . 2 2 42 42 LEU CB C 13 43.058 0.027 . 1 . . 289 . B 136 LEU CB . 36064 1 997 . 2 2 42 42 LEU CG C 13 27.376 0.01 . 1 . . 669 . B 136 LEU CG . 36064 1 998 . 2 2 42 42 LEU CD1 C 13 24.062 0.077 . 2 . . 925 . B 136 LEU CD1 . 36064 1 999 . 2 2 42 42 LEU CD2 C 13 26.037 0.09 . 2 . . 926 . B 136 LEU CD2 . 36064 1 1000 . 2 2 42 42 LEU N N 15 119.460 0.035 . 1 . . 179 . B 136 LEU N . 36064 1 1001 . 2 2 43 43 GLY H H 1 7.794 0.004 . 1 . . 51 . B 137 GLY H . 36064 1 1002 . 2 2 43 43 GLY HA2 H 1 4.240 0.007 . 2 . . 401 . B 137 GLY HA2 . 36064 1 1003 . 2 2 43 43 GLY HA3 H 1 4.011 0.006 . 2 . . 402 . B 137 GLY HA3 . 36064 1 1004 . 2 2 43 43 GLY CA C 13 44.552 0.089 . 1 . . 301 . B 137 GLY CA . 36064 1 1005 . 2 2 43 43 GLY N N 15 107.027 0.04 . 1 . . 52 . B 137 GLY N . 36064 1 1006 . 2 2 44 44 PRO HA H 1 4.428 0.001 . 1 . . 382 . B 138 PRO HA . 36064 1 1007 . 2 2 44 44 PRO HB2 H 1 2.230 0.002 . 2 . . 383 . B 138 PRO HB2 . 36064 1 1008 . 2 2 44 44 PRO HB3 H 1 2.008 0.007 . 2 . . 384 . B 138 PRO HB3 . 36064 1 1009 . 2 2 44 44 PRO HG2 H 1 2.010 0.001 . 1 . . 600 . B 138 PRO HG2 . 36064 1 1010 . 2 2 44 44 PRO HD2 H 1 3.675 0.006 . 2 . . 597 . B 138 PRO HD2 . 36064 1 1011 . 2 2 44 44 PRO HD3 H 1 3.599 0.014 . 2 . . 598 . B 138 PRO HD3 . 36064 1 1012 . 2 2 44 44 PRO C C 13 176.614 . . 1 . . 57 . B 138 PRO C . 36064 1 1013 . 2 2 44 44 PRO CA C 13 63.274 0.06 . 1 . . 238 . B 138 PRO CA . 36064 1 1014 . 2 2 44 44 PRO CB C 13 32.087 0.076 . 1 . . 239 . B 138 PRO CB . 36064 1 1015 . 2 2 44 44 PRO CG C 13 27.143 0.032 . 1 . . 592 . B 138 PRO CG . 36064 1 1016 . 2 2 44 44 PRO CD C 13 49.754 0.058 . 1 . . 593 . B 138 PRO CD . 36064 1 1017 . 2 2 45 45 GLU H H 1 8.137 0.004 . 1 . . 56 . B 139 GLU H . 36064 1 1018 . 2 2 45 45 GLU HA H 1 4.070 0.004 . 1 . . 396 . B 139 GLU HA . 36064 1 1019 . 2 2 45 45 GLU HB2 H 1 1.888 0.006 . 2 . . 397 . B 139 GLU HB2 . 36064 1 1020 . 2 2 45 45 GLU HB3 H 1 2.033 0.008 . 2 . . 845 . B 139 GLU HB3 . 36064 1 1021 . 2 2 45 45 GLU HG2 H 1 2.211 0.006 . 1 . . 847 . B 139 GLU HG2 . 36064 1 1022 . 2 2 45 45 GLU CA C 13 58.375 0.013 . 1 . . 240 . B 139 GLU CA . 36064 1 1023 . 2 2 45 45 GLU CB C 13 31.228 0.046 . 1 . . 846 . B 139 GLU CB . 36064 1 1024 . 2 2 45 45 GLU CG C 13 36.973 0.043 . 1 . . 844 . B 139 GLU CG . 36064 1 1025 . 2 2 45 45 GLU N N 15 126.574 0.066 . 1 . . 58 . B 139 GLU N . 36064 1 stop_ save_