data_36021 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36021 _Entry.Title ; Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-12 _Entry.Accession_date 2016-10-28 _Entry.Last_release_date 2016-10-28 _Entry.Original_release_date 2016-10-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 X. Liu X. . . . 36021 2 S. Zhang S. . . . 36021 3 C. Zhang C. X. . . 36021 4 J. Liu J. . . . 36021 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Drosophila . 36021 'GABAB receptor' . 36021 'SIGNALING PROTEIN' . 36021 coiled-coil . 36021 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36021 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 36021 '15N chemical shifts' 109 36021 '1H chemical shifts' 704 36021 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 . . 2017-09-11 . original BMRB . 36021 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5GWM 'BMRB Entry Tracking System' 36021 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36021 _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 3 ; _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. . . . 36021 1 2 S. Zhang S. . . . 36021 1 3 C. Zhang C. X. . . 36021 1 4 J. Liu J. . . . 36021 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36021 _Assembly.ID 1 _Assembly.Name 'Metabotropic GABA-B receptor subtype 1, Metabotropic GABA-B receptor subtype 3, isoform A' _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 . . . . . . 36021 1 2 entity_2 2 $entity_2 B B yes . . . . . . 36021 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36021 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_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 ; MDSAISKEDEERYQKLVTEN EQLQRLITQKEEKIRVLRQR LVERGDAKGTELN ; _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 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'coiled-coil domain, UNP residues 751-802' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6327.121 _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 . 36021 1 2 2 ASP . 36021 1 3 3 SER . 36021 1 4 4 ALA . 36021 1 5 5 ILE . 36021 1 6 6 SER . 36021 1 7 7 LYS . 36021 1 8 8 GLU . 36021 1 9 9 ASP . 36021 1 10 10 GLU . 36021 1 11 11 GLU . 36021 1 12 12 ARG . 36021 1 13 13 TYR . 36021 1 14 14 GLN . 36021 1 15 15 LYS . 36021 1 16 16 LEU . 36021 1 17 17 VAL . 36021 1 18 18 THR . 36021 1 19 19 GLU . 36021 1 20 20 ASN . 36021 1 21 21 GLU . 36021 1 22 22 GLN . 36021 1 23 23 LEU . 36021 1 24 24 GLN . 36021 1 25 25 ARG . 36021 1 26 26 LEU . 36021 1 27 27 ILE . 36021 1 28 28 THR . 36021 1 29 29 GLN . 36021 1 30 30 LYS . 36021 1 31 31 GLU . 36021 1 32 32 GLU . 36021 1 33 33 LYS . 36021 1 34 34 ILE . 36021 1 35 35 ARG . 36021 1 36 36 VAL . 36021 1 37 37 LEU . 36021 1 38 38 ARG . 36021 1 39 39 GLN . 36021 1 40 40 ARG . 36021 1 41 41 LEU . 36021 1 42 42 VAL . 36021 1 43 43 GLU . 36021 1 44 44 ARG . 36021 1 45 45 GLY . 36021 1 46 46 ASP . 36021 1 47 47 ALA . 36021 1 48 48 LYS . 36021 1 49 49 GLY . 36021 1 50 50 THR . 36021 1 51 51 GLU . 36021 1 52 52 LEU . 36021 1 53 53 ASN . 36021 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 36021 1 . ASP 2 2 36021 1 . SER 3 3 36021 1 . ALA 4 4 36021 1 . ILE 5 5 36021 1 . SER 6 6 36021 1 . LYS 7 7 36021 1 . GLU 8 8 36021 1 . ASP 9 9 36021 1 . GLU 10 10 36021 1 . GLU 11 11 36021 1 . ARG 12 12 36021 1 . TYR 13 13 36021 1 . GLN 14 14 36021 1 . LYS 15 15 36021 1 . LEU 16 16 36021 1 . VAL 17 17 36021 1 . THR 18 18 36021 1 . GLU 19 19 36021 1 . ASN 20 20 36021 1 . GLU 21 21 36021 1 . GLN 22 22 36021 1 . LEU 23 23 36021 1 . GLN 24 24 36021 1 . ARG 25 25 36021 1 . LEU 26 26 36021 1 . ILE 27 27 36021 1 . THR 28 28 36021 1 . GLN 29 29 36021 1 . LYS 30 30 36021 1 . GLU 31 31 36021 1 . GLU 32 32 36021 1 . LYS 33 33 36021 1 . ILE 34 34 36021 1 . ARG 35 35 36021 1 . VAL 36 36 36021 1 . LEU 37 37 36021 1 . ARG 38 38 36021 1 . GLN 39 39 36021 1 . ARG 40 40 36021 1 . LEU 41 41 36021 1 . VAL 42 42 36021 1 . GLU 43 43 36021 1 . ARG 44 44 36021 1 . GLY 45 45 36021 1 . ASP 46 46 36021 1 . ALA 47 47 36021 1 . LYS 48 48 36021 1 . GLY 49 49 36021 1 . THR 50 50 36021 1 . GLU 51 51 36021 1 . LEU 52 52 36021 1 . ASN 53 53 36021 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 36021 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_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 ; GPLGSRRFVVDDRRELQYRV EVQNRVYKKEIQALDAEIRK LERLLESGLT ; _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 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment 'coiled-coil domain, UNP residues 914-954' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5954.819 _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 3' na 36021 2 'Metabotropic GABA-B receptor subtype 3' na 36021 2 'isoform D' na 36021 2 'isoform E' na 36021 2 'isoform G' na 36021 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 84 GLY . 36021 2 2 85 PRO . 36021 2 3 86 LEU . 36021 2 4 87 GLY . 36021 2 5 88 SER . 36021 2 6 89 ARG . 36021 2 7 90 ARG . 36021 2 8 91 PHE . 36021 2 9 92 VAL . 36021 2 10 93 VAL . 36021 2 11 94 ASP . 36021 2 12 95 ASP . 36021 2 13 96 ARG . 36021 2 14 97 ARG . 36021 2 15 98 GLU . 36021 2 16 99 LEU . 36021 2 17 100 GLN . 36021 2 18 101 TYR . 36021 2 19 102 ARG . 36021 2 20 103 VAL . 36021 2 21 104 GLU . 36021 2 22 105 VAL . 36021 2 23 106 GLN . 36021 2 24 107 ASN . 36021 2 25 108 ARG . 36021 2 26 109 VAL . 36021 2 27 110 TYR . 36021 2 28 111 LYS . 36021 2 29 112 LYS . 36021 2 30 113 GLU . 36021 2 31 114 ILE . 36021 2 32 115 GLN . 36021 2 33 116 ALA . 36021 2 34 117 LEU . 36021 2 35 118 ASP . 36021 2 36 119 ALA . 36021 2 37 120 GLU . 36021 2 38 121 ILE . 36021 2 39 122 ARG . 36021 2 40 123 LYS . 36021 2 41 124 LEU . 36021 2 42 125 GLU . 36021 2 43 126 ARG . 36021 2 44 127 LEU . 36021 2 45 128 LEU . 36021 2 46 129 GLU . 36021 2 47 130 SER . 36021 2 48 131 GLY . 36021 2 49 132 LEU . 36021 2 50 133 THR . 36021 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 36021 2 . PRO 2 2 36021 2 . LEU 3 3 36021 2 . GLY 4 4 36021 2 . SER 5 5 36021 2 . ARG 6 6 36021 2 . ARG 7 7 36021 2 . PHE 8 8 36021 2 . VAL 9 9 36021 2 . VAL 10 10 36021 2 . ASP 11 11 36021 2 . ASP 12 12 36021 2 . ARG 13 13 36021 2 . ARG 14 14 36021 2 . GLU 15 15 36021 2 . LEU 16 16 36021 2 . GLN 17 17 36021 2 . TYR 18 18 36021 2 . ARG 19 19 36021 2 . VAL 20 20 36021 2 . GLU 21 21 36021 2 . VAL 22 22 36021 2 . GLN 23 23 36021 2 . ASN 24 24 36021 2 . ARG 25 25 36021 2 . VAL 26 26 36021 2 . TYR 27 27 36021 2 . LYS 28 28 36021 2 . LYS 29 29 36021 2 . GLU 30 30 36021 2 . ILE 31 31 36021 2 . GLN 32 32 36021 2 . ALA 33 33 36021 2 . LEU 34 34 36021 2 . ASP 35 35 36021 2 . ALA 36 36 36021 2 . GLU 37 37 36021 2 . ILE 38 38 36021 2 . ARG 39 39 36021 2 . LYS 40 40 36021 2 . LEU 41 41 36021 2 . GLU 42 42 36021 2 . ARG 43 43 36021 2 . LEU 44 44 36021 2 . LEU 45 45 36021 2 . GLU 46 46 36021 2 . SER 47 47 36021 2 . GLY 48 48 36021 2 . LEU 49 49 36021 2 . THR 50 50 36021 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 36021 _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' . 36021 1 2 2 $entity_2 . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . 'GABA-B-R3, CG3022, Dmel_CG3022' . 36021 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 36021 _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' . . 511693 . . BL21 . . . . . . . . . 36021 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21' . . 511693 . . BL21 . . . . . . . . . 36021 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36021 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 15N] Molecule1, 0.7 mM [U-99% 15N] Molecule2, 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 Molecule1 '[U-99% 15N]' . . 1 $entity_1 . protein 0.7 . . mM . . . . 36021 1 2 Molecule2 '[U-99% 15N]' . . 2 $entity_2 . protein 0.7 . . mM . . . . 36021 1 3 PBS 'natural abundance' . . . . . buffer 20 . . mM . . . . 36021 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . mg/mL . . . . 36021 1 5 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36021 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36021 1 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36021 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36021 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 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 Molecule1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . protein 0.7 . . mM . . . . 36021 2 2 Molecule2 '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . protein 0.7 . . mM . . . . 36021 2 3 PBS 'natural abundance' . . . . . buffer 20 . . mM . . . . 36021 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . mg/mL . . . . 36021 2 5 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36021 2 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36021 2 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36021 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 36021 _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 36021 1 pH 7.0 . pH 36021 1 pressure 1 . atm 36021 1 temperature 293 . K 36021 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36021 _Software.ID 1 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 36021 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36021 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36021 _Software.ID 2 _Software.Name CNS _Software.Version 1.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 36021 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36021 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36021 _Software.ID 3 _Software.Name CcpNMR _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 36021 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36021 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36021 _Software.ID 4 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36021 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36021 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 36021 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _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 36021 _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 . . . 36021 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 36021 _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 . . . . . . . . . . . . . . . . 36021 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36021 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36021 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36021 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36021 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36021 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36021 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36021 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36021 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36021 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36021 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 36021 _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 0.25144953 . . . . . 36021 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36021 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 36021 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 36021 _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 36021 1 2 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36021 1 3 '2D 1H-15N HSQC' 2 $sample_2 isotropic 36021 1 4 '2D 1H-13C HSQC' 2 $sample_2 isotropic 36021 1 5 '3D HNCO' 2 $sample_2 isotropic 36021 1 6 '3D C(CO)NH' 2 $sample_2 isotropic 36021 1 7 '3D 1H-13C NOESY' 2 $sample_2 isotropic 36021 1 8 '3D HCCH-TOCSY' 2 $sample_2 isotropic 36021 1 9 '3D HBHA(CO)NH' 2 $sample_2 isotropic 36021 1 10 '3D HNCACB' 2 $sample_2 isotropic 36021 1 11 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36021 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 36021 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.690 0.006 . 1 . 383 . A 2 ASP HA . 36021 1 2 . 1 1 2 2 ASP HB2 H 1 2.618 0.002 . 2 . 392 . A 2 ASP HB2 . 36021 1 3 . 1 1 2 2 ASP HB3 H 1 2.744 0.003 . 2 . 384 . A 2 ASP HB3 . 36021 1 4 . 1 1 2 2 ASP C C 13 176.058 . . 1 . 12 . A 2 ASP C . 36021 1 5 . 1 1 2 2 ASP CA C 13 54.521 0.035 . 1 . 91 . A 2 ASP CA . 36021 1 6 . 1 1 2 2 ASP CB C 13 41.485 0.074 . 1 . 90 . A 2 ASP CB . 36021 1 7 . 1 1 3 3 SER H H 1 8.466 0.003 . 1 . 1033 . A 3 SER H . 36021 1 8 . 1 1 3 3 SER HA H 1 4.418 0.003 . 1 . 386 . A 3 SER HA . 36021 1 9 . 1 1 3 3 SER HB2 H 1 3.888 0.006 . 2 . 518 . A 3 SER HB2 . 36021 1 10 . 1 1 3 3 SER HB3 H 1 3.880 0.007 . 2 . 385 . A 3 SER HB3 . 36021 1 11 . 1 1 3 3 SER C C 13 174.219 . . 1 . 64 . A 3 SER C . 36021 1 12 . 1 1 3 3 SER CA C 13 58.414 0.08 . 1 . 93 . A 3 SER CA . 36021 1 13 . 1 1 3 3 SER CB C 13 63.810 0.033 . 1 . 92 . A 3 SER CB . 36021 1 14 . 1 1 3 3 SER N N 15 116.915 0.07 . 1 . 1032 . A 3 SER N . 36021 1 15 . 1 1 4 4 ALA H H 1 8.420 0.004 . 1 . 888 . A 4 ALA H . 36021 1 16 . 1 1 4 4 ALA HA H 1 4.324 0.005 . 1 . 339 . A 4 ALA HA . 36021 1 17 . 1 1 4 4 ALA HB1 H 1 1.391 0.005 . 1 . 338 . A 4 ALA HB1 . 36021 1 18 . 1 1 4 4 ALA HB2 H 1 1.391 0.005 . 1 . 338 . A 4 ALA HB2 . 36021 1 19 . 1 1 4 4 ALA HB3 H 1 1.391 0.005 . 1 . 338 . A 4 ALA HB3 . 36021 1 20 . 1 1 4 4 ALA C C 13 177.646 . . 1 . 213 . A 4 ALA C . 36021 1 21 . 1 1 4 4 ALA CA C 13 52.696 0.049 . 1 . 180 . A 4 ALA CA . 36021 1 22 . 1 1 4 4 ALA CB C 13 19.324 0.038 . 1 . 212 . A 4 ALA CB . 36021 1 23 . 1 1 4 4 ALA N N 15 125.957 0.059 . 1 . 887 . A 4 ALA N . 36021 1 24 . 1 1 5 5 ILE H H 1 8.114 0.004 . 1 . 809 . A 5 ILE H . 36021 1 25 . 1 1 5 5 ILE HA H 1 4.227 0.005 . 1 . 381 . A 5 ILE HA . 36021 1 26 . 1 1 5 5 ILE HB H 1 1.860 0.004 . 1 . 382 . A 5 ILE HB . 36021 1 27 . 1 1 5 5 ILE HG12 H 1 1.490 0.003 . 2 . 396 . A 5 ILE HG12 . 36021 1 28 . 1 1 5 5 ILE HG13 H 1 1.186 0.004 . 2 . 395 . A 5 ILE HG13 . 36021 1 29 . 1 1 5 5 ILE HG21 H 1 0.950 0.003 . 1 . 394 . A 5 ILE HG21 . 36021 1 30 . 1 1 5 5 ILE HG22 H 1 0.950 0.003 . 1 . 394 . A 5 ILE HG22 . 36021 1 31 . 1 1 5 5 ILE HG23 H 1 0.950 0.003 . 1 . 394 . A 5 ILE HG23 . 36021 1 32 . 1 1 5 5 ILE HD11 H 1 0.780 0.003 . 1 . 393 . A 5 ILE HD11 . 36021 1 33 . 1 1 5 5 ILE HD12 H 1 0.780 0.003 . 1 . 393 . A 5 ILE HD12 . 36021 1 34 . 1 1 5 5 ILE HD13 H 1 0.780 0.003 . 1 . 393 . A 5 ILE HD13 . 36021 1 35 . 1 1 5 5 ILE C C 13 176.367 . . 1 . 82 . A 5 ILE C . 36021 1 36 . 1 1 5 5 ILE CA C 13 60.894 0.144 . 1 . 214 . A 5 ILE CA . 36021 1 37 . 1 1 5 5 ILE CB C 13 38.660 0.054 . 1 . 107 . A 5 ILE CB . 36021 1 38 . 1 1 5 5 ILE CG1 C 13 27.448 0.051 . 1 . 397 . A 5 ILE CG1 . 36021 1 39 . 1 1 5 5 ILE CG2 C 13 17.585 0.027 . 1 . 398 . A 5 ILE CG2 . 36021 1 40 . 1 1 5 5 ILE CD1 C 13 12.791 0.021 . 1 . 399 . A 5 ILE CD1 . 36021 1 41 . 1 1 5 5 ILE N N 15 120.420 0.082 . 1 . 808 . A 5 ILE N . 36021 1 42 . 1 1 6 6 SER H H 1 8.950 0.002 . 1 . 797 . A 6 SER H . 36021 1 43 . 1 1 6 6 SER HA H 1 4.505 0.006 . 1 . 378 . A 6 SER HA . 36021 1 44 . 1 1 6 6 SER HB2 H 1 4.216 0.01 . 2 . 379 . A 6 SER HB2 . 36021 1 45 . 1 1 6 6 SER HB3 H 1 4.017 0.004 . 2 . 380 . A 6 SER HB3 . 36021 1 46 . 1 1 6 6 SER C C 13 175.143 . . 1 . 51 . A 6 SER C . 36021 1 47 . 1 1 6 6 SER CA C 13 57.865 0.012 . 1 . 207 . A 6 SER CA . 36021 1 48 . 1 1 6 6 SER CB C 13 64.747 0.043 . 1 . 206 . A 6 SER CB . 36021 1 49 . 1 1 6 6 SER N N 15 122.806 0.03 . 1 . 796 . A 6 SER N . 36021 1 50 . 1 1 7 7 LYS H H 1 8.770 0.004 . 1 . 972 . A 7 LYS H . 36021 1 51 . 1 1 7 7 LYS HA H 1 4.182 0.008 . 1 . 376 . A 7 LYS HA . 36021 1 52 . 1 1 7 7 LYS HB2 H 1 1.874 0.019 . 2 . 377 . A 7 LYS HB2 . 36021 1 53 . 1 1 7 7 LYS HB3 H 1 1.887 0.011 . 2 . 674 . A 7 LYS HB3 . 36021 1 54 . 1 1 7 7 LYS HG2 H 1 1.511 0.014 . 2 . 681 . A 7 LYS HG2 . 36021 1 55 . 1 1 7 7 LYS HG3 H 1 1.456 0.01 . 2 . 683 . A 7 LYS HG3 . 36021 1 56 . 1 1 7 7 LYS HD2 H 1 1.697 0.013 . 2 . 679 . A 7 LYS HD2 . 36021 1 57 . 1 1 7 7 LYS HD3 H 1 1.703 0.016 . 2 . 678 . A 7 LYS HD3 . 36021 1 58 . 1 1 7 7 LYS HE2 H 1 2.998 0.018 . 2 . 680 . A 7 LYS HE2 . 36021 1 59 . 1 1 7 7 LYS HE3 H 1 2.996 0.017 . 2 . 675 . A 7 LYS HE3 . 36021 1 60 . 1 1 7 7 LYS C C 13 178.667 . . 1 . 67 . A 7 LYS C . 36021 1 61 . 1 1 7 7 LYS CA C 13 58.767 0.088 . 1 . 181 . A 7 LYS CA . 36021 1 62 . 1 1 7 7 LYS CB C 13 32.326 0.05 . 1 . 182 . A 7 LYS CB . 36021 1 63 . 1 1 7 7 LYS CG C 13 24.739 0.063 . 1 . 682 . A 7 LYS CG . 36021 1 64 . 1 1 7 7 LYS CD C 13 29.261 0.071 . 1 . 677 . A 7 LYS CD . 36021 1 65 . 1 1 7 7 LYS CE C 13 42.055 0.096 . 1 . 676 . A 7 LYS CE . 36021 1 66 . 1 1 7 7 LYS N N 15 123.654 0.065 . 1 . 971 . A 7 LYS N . 36021 1 67 . 1 1 8 8 GLU H H 1 8.656 0.003 . 1 . 954 . A 8 GLU H . 36021 1 68 . 1 1 8 8 GLU HA H 1 4.117 0.013 . 1 . 375 . A 8 GLU HA . 36021 1 69 . 1 1 8 8 GLU HB2 H 1 1.986 0.012 . 2 . 373 . A 8 GLU HB2 . 36021 1 70 . 1 1 8 8 GLU HB3 H 1 2.067 0.013 . 2 . 374 . A 8 GLU HB3 . 36021 1 71 . 1 1 8 8 GLU HG2 H 1 2.374 0.006 . 2 . 588 . A 8 GLU HG2 . 36021 1 72 . 1 1 8 8 GLU HG3 H 1 2.305 0.017 . 2 . 589 . A 8 GLU HG3 . 36021 1 73 . 1 1 8 8 GLU C C 13 178.996 . . 1 . 83 . A 8 GLU C . 36021 1 74 . 1 1 8 8 GLU CA C 13 59.522 0.097 . 1 . 183 . A 8 GLU CA . 36021 1 75 . 1 1 8 8 GLU CB C 13 29.169 0.073 . 1 . 208 . A 8 GLU CB . 36021 1 76 . 1 1 8 8 GLU CG C 13 36.876 0.046 . 1 . 587 . A 8 GLU CG . 36021 1 77 . 1 1 8 8 GLU N N 15 119.416 0.057 . 1 . 953 . A 8 GLU N . 36021 1 78 . 1 1 9 9 ASP H H 1 8.144 0.004 . 1 . 864 . A 9 ASP H . 36021 1 79 . 1 1 9 9 ASP HA H 1 4.502 0.007 . 1 . 370 . A 9 ASP HA . 36021 1 80 . 1 1 9 9 ASP HB2 H 1 2.676 0.005 . 2 . 372 . A 9 ASP HB2 . 36021 1 81 . 1 1 9 9 ASP HB3 H 1 2.902 0.003 . 2 . 371 . A 9 ASP HB3 . 36021 1 82 . 1 1 9 9 ASP C C 13 178.832 . . 1 . 75 . A 9 ASP C . 36021 1 83 . 1 1 9 9 ASP CA C 13 57.017 0.063 . 1 . 210 . A 9 ASP CA . 36021 1 84 . 1 1 9 9 ASP CB C 13 40.471 0.036 . 1 . 209 . A 9 ASP CB . 36021 1 85 . 1 1 9 9 ASP N N 15 121.506 0.054 . 1 . 863 . A 9 ASP N . 36021 1 86 . 1 1 10 10 GLU H H 1 8.329 0.004 . 1 . 1042 . A 10 GLU H . 36021 1 87 . 1 1 10 10 GLU HA H 1 4.195 0.017 . 1 . 369 . A 10 GLU HA . 36021 1 88 . 1 1 10 10 GLU HB2 H 1 2.161 0.003 . 2 . 595 . A 10 GLU HB2 . 36021 1 89 . 1 1 10 10 GLU HB3 H 1 2.162 0.003 . 2 . 368 . A 10 GLU HB3 . 36021 1 90 . 1 1 10 10 GLU HG2 H 1 2.346 0.004 . 2 . 594 . A 10 GLU HG2 . 36021 1 91 . 1 1 10 10 GLU HG3 H 1 2.340 0.009 . 2 . 593 . A 10 GLU HG3 . 36021 1 92 . 1 1 10 10 GLU C C 13 178.655 . . 1 . 638 . A 10 GLU C . 36021 1 93 . 1 1 10 10 GLU CA C 13 59.322 0.057 . 1 . 590 . A 10 GLU CA . 36021 1 94 . 1 1 10 10 GLU CB C 13 29.440 0.031 . 1 . 591 . A 10 GLU CB . 36021 1 95 . 1 1 10 10 GLU CG C 13 35.789 0.01 . 1 . 592 . A 10 GLU CG . 36021 1 96 . 1 1 10 10 GLU N N 15 122.866 0.047 . 1 . 1041 . A 10 GLU N . 36021 1 97 . 1 1 11 11 GLU H H 1 8.335 0.004 . 1 . 964 . A 11 GLU H . 36021 1 98 . 1 1 11 11 GLU HA H 1 4.095 0.007 . 1 . 601 . A 11 GLU HA . 36021 1 99 . 1 1 11 11 GLU HB2 H 1 2.087 0.018 . 2 . 598 . A 11 GLU HB2 . 36021 1 100 . 1 1 11 11 GLU HB3 H 1 2.086 0.019 . 2 . 597 . A 11 GLU HB3 . 36021 1 101 . 1 1 11 11 GLU HG2 H 1 2.474 0.003 . 2 . 599 . A 11 GLU HG2 . 36021 1 102 . 1 1 11 11 GLU HG3 H 1 2.259 0.008 . 2 . 600 . A 11 GLU HG3 . 36021 1 103 . 1 1 11 11 GLU C C 13 179.130 . . 1 . 20 . A 11 GLU C . 36021 1 104 . 1 1 11 11 GLU CA C 13 59.347 0.022 . 1 . 124 . A 11 GLU CA . 36021 1 105 . 1 1 11 11 GLU CB C 13 29.457 0.007 . 1 . 125 . A 11 GLU CB . 36021 1 106 . 1 1 11 11 GLU CG C 13 36.726 0.08 . 1 . 596 . A 11 GLU CG . 36021 1 107 . 1 1 11 11 GLU N N 15 119.810 0.052 . 1 . 963 . A 11 GLU N . 36021 1 108 . 1 1 12 12 ARG H H 1 8.064 0.014 . 1 . 1063 . A 12 ARG H . 36021 1 109 . 1 1 12 12 ARG HA H 1 4.038 0.005 . 1 . 366 . A 12 ARG HA . 36021 1 110 . 1 1 12 12 ARG HB2 H 1 1.984 0.002 . 1 . 367 . A 12 ARG HB2 . 36021 1 111 . 1 1 12 12 ARG C C 13 178.300 . . 1 . 24 . A 12 ARG C . 36021 1 112 . 1 1 12 12 ARG N N 15 120.447 0.053 . 1 . 1062 . A 12 ARG N . 36021 1 113 . 1 1 13 13 TYR H H 1 8.103 0.012 . 1 . 869 . A 13 TYR H . 36021 1 114 . 1 1 13 13 TYR HA H 1 4.214 0.012 . 1 . 363 . A 13 TYR HA . 36021 1 115 . 1 1 13 13 TYR HB2 H 1 3.254 0.007 . 2 . 365 . A 13 TYR HB2 . 36021 1 116 . 1 1 13 13 TYR HB3 H 1 3.187 0.009 . 2 . 364 . A 13 TYR HB3 . 36021 1 117 . 1 1 13 13 TYR HD1 H 1 7.050 0.003 . 3 . 1151 . A 13 TYR HD1 . 36021 1 118 . 1 1 13 13 TYR HD2 H 1 7.050 0.003 . 3 . 1151 . A 13 TYR HD2 . 36021 1 119 . 1 1 13 13 TYR HE1 H 1 6.685 0.002 . 3 . 1182 . A 13 TYR HE1 . 36021 1 120 . 1 1 13 13 TYR HE2 H 1 6.685 0.002 . 3 . 1182 . A 13 TYR HE2 . 36021 1 121 . 1 1 13 13 TYR C C 13 176.636 . . 1 . 79 . A 13 TYR C . 36021 1 122 . 1 1 13 13 TYR CA C 13 61.613 . . 1 . 199 . A 13 TYR CA . 36021 1 123 . 1 1 13 13 TYR CB C 13 38.244 0.02 . 1 . 200 . A 13 TYR CB . 36021 1 124 . 1 1 13 13 TYR N N 15 119.825 0.036 . 1 . 868 . A 13 TYR N . 36021 1 125 . 1 1 14 14 GLN H H 1 8.348 0.003 . 1 . 799 . A 14 GLN H . 36021 1 126 . 1 1 14 14 GLN HA H 1 3.798 0.005 . 1 . 259 . A 14 GLN HA . 36021 1 127 . 1 1 14 14 GLN HB2 H 1 2.168 0.008 . 2 . 543 . A 14 GLN HB2 . 36021 1 128 . 1 1 14 14 GLN HB3 H 1 2.166 0.008 . 2 . 542 . A 14 GLN HB3 . 36021 1 129 . 1 1 14 14 GLN HG2 H 1 2.617 0.001 . 2 . 544 . A 14 GLN HG2 . 36021 1 130 . 1 1 14 14 GLN HG3 H 1 2.618 0.003 . 2 . 551 . A 14 GLN HG3 . 36021 1 131 . 1 1 14 14 GLN HE21 H 1 6.919 0.002 . 1 . 1068 . A 14 GLN HE21 . 36021 1 132 . 1 1 14 14 GLN HE22 H 1 7.738 0.002 . 1 . 1067 . A 14 GLN HE22 . 36021 1 133 . 1 1 14 14 GLN C C 13 179.249 . . 1 . 4 . A 14 GLN C . 36021 1 134 . 1 1 14 14 GLN CA C 13 58.388 0.036 . 1 . 202 . A 14 GLN CA . 36021 1 135 . 1 1 14 14 GLN CB C 13 27.798 0.019 . 1 . 201 . A 14 GLN CB . 36021 1 136 . 1 1 14 14 GLN CG C 13 33.456 0.017 . 1 . 545 . A 14 GLN CG . 36021 1 137 . 1 1 14 14 GLN N N 15 117.067 0.065 . 1 . 798 . A 14 GLN N . 36021 1 138 . 1 1 14 14 GLN NE2 N 15 112.145 0.02 . 1 . 1148 . A 14 GLN NE2 . 36021 1 139 . 1 1 15 15 LYS H H 1 8.069 0.007 . 1 . 1004 . A 15 LYS H . 36021 1 140 . 1 1 15 15 LYS HA H 1 4.020 0.016 . 1 . 701 . A 15 LYS HA . 36021 1 141 . 1 1 15 15 LYS HB2 H 1 1.953 0.007 . 2 . 699 . A 15 LYS HB2 . 36021 1 142 . 1 1 15 15 LYS HB3 H 1 1.957 0.012 . 2 . 698 . A 15 LYS HB3 . 36021 1 143 . 1 1 15 15 LYS HG2 H 1 1.640 0.014 . 2 . 706 . A 15 LYS HG2 . 36021 1 144 . 1 1 15 15 LYS HG3 H 1 1.421 0.002 . 2 . 708 . A 15 LYS HG3 . 36021 1 145 . 1 1 15 15 LYS HD2 H 1 1.678 0.009 . 2 . 705 . A 15 LYS HD2 . 36021 1 146 . 1 1 15 15 LYS HD3 H 1 1.687 0.014 . 2 . 703 . A 15 LYS HD3 . 36021 1 147 . 1 1 15 15 LYS HE2 H 1 2.971 0.013 . 2 . 697 . A 15 LYS HE2 . 36021 1 148 . 1 1 15 15 LYS HE3 H 1 2.967 0.021 . 2 . 700 . A 15 LYS HE3 . 36021 1 149 . 1 1 15 15 LYS C C 13 179.604 . . 1 . 71 . A 15 LYS C . 36021 1 150 . 1 1 15 15 LYS CA C 13 59.574 0.12 . 1 . 227 . A 15 LYS CA . 36021 1 151 . 1 1 15 15 LYS CB C 13 32.374 0.031 . 1 . 189 . A 15 LYS CB . 36021 1 152 . 1 1 15 15 LYS CG C 13 25.527 0.09 . 1 . 707 . A 15 LYS CG . 36021 1 153 . 1 1 15 15 LYS CD C 13 29.500 0.063 . 1 . 704 . A 15 LYS CD . 36021 1 154 . 1 1 15 15 LYS CE C 13 42.172 0.042 . 1 . 702 . A 15 LYS CE . 36021 1 155 . 1 1 15 15 LYS N N 15 119.672 0.059 . 1 . 1003 . A 15 LYS N . 36021 1 156 . 1 1 16 16 LEU H H 1 7.927 0.012 . 1 . 1045 . A 16 LEU H . 36021 1 157 . 1 1 16 16 LEU HA H 1 4.033 0.015 . 1 . 712 . A 16 LEU HA . 36021 1 158 . 1 1 16 16 LEU HB2 H 1 1.970 0.013 . 2 . 713 . A 16 LEU HB2 . 36021 1 159 . 1 1 16 16 LEU HB3 H 1 1.214 0.013 . 2 . 711 . A 16 LEU HB3 . 36021 1 160 . 1 1 16 16 LEU HG H 1 1.773 0.006 . 1 . 715 . A 16 LEU HG . 36021 1 161 . 1 1 16 16 LEU HD11 H 1 0.811 0.005 . 2 . 714 . A 16 LEU HD11 . 36021 1 162 . 1 1 16 16 LEU HD12 H 1 0.811 0.005 . 2 . 714 . A 16 LEU HD12 . 36021 1 163 . 1 1 16 16 LEU HD13 H 1 0.811 0.005 . 2 . 714 . A 16 LEU HD13 . 36021 1 164 . 1 1 16 16 LEU HD21 H 1 0.887 0.005 . 2 . 718 . A 16 LEU HD21 . 36021 1 165 . 1 1 16 16 LEU HD22 H 1 0.887 0.005 . 2 . 718 . A 16 LEU HD22 . 36021 1 166 . 1 1 16 16 LEU HD23 H 1 0.887 0.005 . 2 . 718 . A 16 LEU HD23 . 36021 1 167 . 1 1 16 16 LEU C C 13 178.670 . . 1 . 5 . A 16 LEU C . 36021 1 168 . 1 1 16 16 LEU CA C 13 57.802 0.027 . 1 . 191 . A 16 LEU CA . 36021 1 169 . 1 1 16 16 LEU CB C 13 42.498 0.052 . 1 . 190 . A 16 LEU CB . 36021 1 170 . 1 1 16 16 LEU CG C 13 27.070 0.114 . 1 . 716 . A 16 LEU CG . 36021 1 171 . 1 1 16 16 LEU CD1 C 13 23.501 0.064 . 2 . 717 . A 16 LEU CD1 . 36021 1 172 . 1 1 16 16 LEU CD2 C 13 26.348 0.08 . 2 . 719 . A 16 LEU CD2 . 36021 1 173 . 1 1 16 16 LEU N N 15 121.605 0.049 . 1 . 1044 . A 16 LEU N . 36021 1 174 . 1 1 17 17 VAL H H 1 8.230 0.005 . 1 . 1018 . A 17 VAL H . 36021 1 175 . 1 1 17 17 VAL HA H 1 3.464 0.013 . 1 . 361 . A 17 VAL HA . 36021 1 176 . 1 1 17 17 VAL HB H 1 1.947 0.007 . 1 . 362 . A 17 VAL HB . 36021 1 177 . 1 1 17 17 VAL HG11 H 1 0.583 0.002 . 2 . 423 . A 17 VAL HG11 . 36021 1 178 . 1 1 17 17 VAL HG12 H 1 0.583 0.002 . 2 . 423 . A 17 VAL HG12 . 36021 1 179 . 1 1 17 17 VAL HG13 H 1 0.583 0.002 . 2 . 423 . A 17 VAL HG13 . 36021 1 180 . 1 1 17 17 VAL HG21 H 1 0.858 0.008 . 2 . 424 . A 17 VAL HG21 . 36021 1 181 . 1 1 17 17 VAL HG22 H 1 0.858 0.008 . 2 . 424 . A 17 VAL HG22 . 36021 1 182 . 1 1 17 17 VAL HG23 H 1 0.858 0.008 . 2 . 424 . A 17 VAL HG23 . 36021 1 183 . 1 1 17 17 VAL C C 13 179.557 . . 1 . 1 . A 17 VAL C . 36021 1 184 . 1 1 17 17 VAL CA C 13 66.894 0.183 . 1 . 84 . A 17 VAL CA . 36021 1 185 . 1 1 17 17 VAL CB C 13 31.761 0.039 . 1 . 224 . A 17 VAL CB . 36021 1 186 . 1 1 17 17 VAL CG1 C 13 22.844 0.021 . 2 . 426 . A 17 VAL CG1 . 36021 1 187 . 1 1 17 17 VAL CG2 C 13 21.261 0.026 . 2 . 425 . A 17 VAL CG2 . 36021 1 188 . 1 1 17 17 VAL N N 15 120.659 0.06 . 1 . 1017 . A 17 VAL N . 36021 1 189 . 1 1 18 18 THR H H 1 7.997 0.009 . 1 . 985 . A 18 THR H . 36021 1 190 . 1 1 18 18 THR HA H 1 3.986 0.015 . 1 . 497 . A 18 THR HA . 36021 1 191 . 1 1 18 18 THR HB H 1 4.205 0.006 . 1 . 498 . A 18 THR HB . 36021 1 192 . 1 1 18 18 THR HG21 H 1 1.275 0.003 . 1 . 495 . A 18 THR HG21 . 36021 1 193 . 1 1 18 18 THR HG22 H 1 1.275 0.003 . 1 . 495 . A 18 THR HG22 . 36021 1 194 . 1 1 18 18 THR HG23 H 1 1.275 0.003 . 1 . 495 . A 18 THR HG23 . 36021 1 195 . 1 1 18 18 THR C C 13 176.979 . . 1 . 59 . A 18 THR C . 36021 1 196 . 1 1 18 18 THR CA C 13 66.612 0.009 . 1 . 167 . A 18 THR CA . 36021 1 197 . 1 1 18 18 THR CB C 13 68.955 0.13 . 1 . 223 . A 18 THR CB . 36021 1 198 . 1 1 18 18 THR CG2 C 13 21.860 0.018 . 1 . 496 . A 18 THR CG2 . 36021 1 199 . 1 1 18 18 THR N N 15 116.852 0.052 . 1 . 984 . A 18 THR N . 36021 1 200 . 1 1 19 19 GLU H H 1 8.371 0.003 . 1 . 1010 . A 19 GLU H . 36021 1 201 . 1 1 19 19 GLU HA H 1 4.076 0.012 . 1 . 360 . A 19 GLU HA . 36021 1 202 . 1 1 19 19 GLU HB2 H 1 2.121 0.011 . 2 . 359 . A 19 GLU HB2 . 36021 1 203 . 1 1 19 19 GLU HB3 H 1 2.119 0.011 . 2 . 582 . A 19 GLU HB3 . 36021 1 204 . 1 1 19 19 GLU HG2 H 1 2.381 0.007 . 2 . 580 . A 19 GLU HG2 . 36021 1 205 . 1 1 19 19 GLU HG3 H 1 2.115 0.012 . 2 . 581 . A 19 GLU HG3 . 36021 1 206 . 1 1 19 19 GLU C C 13 178.414 . . 1 . 35 . A 19 GLU C . 36021 1 207 . 1 1 19 19 GLU CA C 13 59.882 0.015 . 1 . 168 . A 19 GLU CA . 36021 1 208 . 1 1 19 19 GLU CB C 13 30.017 0.047 . 1 . 128 . A 19 GLU CB . 36021 1 209 . 1 1 19 19 GLU CG C 13 37.161 0.105 . 1 . 579 . A 19 GLU CG . 36021 1 210 . 1 1 19 19 GLU N N 15 123.667 0.052 . 1 . 1009 . A 19 GLU N . 36021 1 211 . 1 1 20 20 ASN H H 1 9.027 0.005 . 1 . 834 . A 20 ASN H . 36021 1 212 . 1 1 20 20 ASN HA H 1 4.534 0.005 . 1 . 358 . A 20 ASN HA . 36021 1 213 . 1 1 20 20 ASN HB2 H 1 2.943 0.008 . 2 . 357 . A 20 ASN HB2 . 36021 1 214 . 1 1 20 20 ASN HB3 H 1 3.261 0.006 . 2 . 400 . A 20 ASN HB3 . 36021 1 215 . 1 1 20 20 ASN HD21 H 1 6.450 0.006 . 1 . 1179 . A 20 ASN HD21 . 36021 1 216 . 1 1 20 20 ASN HD22 H 1 7.894 0.006 . 1 . 1177 . A 20 ASN HD22 . 36021 1 217 . 1 1 20 20 ASN C C 13 177.843 . . 1 . 215 . A 20 ASN C . 36021 1 218 . 1 1 20 20 ASN CA C 13 56.562 0.078 . 1 . 130 . A 20 ASN CA . 36021 1 219 . 1 1 20 20 ASN CB C 13 37.583 0.026 . 1 . 129 . A 20 ASN CB . 36021 1 220 . 1 1 20 20 ASN N N 15 120.154 0.046 . 1 . 833 . A 20 ASN N . 36021 1 221 . 1 1 20 20 ASN ND2 N 15 105.901 0.0 . 1 . 1178 . A 20 ASN ND2 . 36021 1 222 . 1 1 21 21 GLU H H 1 7.785 0.003 . 1 . 818 . A 21 GLU H . 36021 1 223 . 1 1 21 21 GLU HA H 1 4.081 0.007 . 1 . 354 . A 21 GLU HA . 36021 1 224 . 1 1 21 21 GLU HB2 H 1 2.260 0.013 . 2 . 355 . A 21 GLU HB2 . 36021 1 225 . 1 1 21 21 GLU HB3 H 1 2.135 0.014 . 2 . 356 . A 21 GLU HB3 . 36021 1 226 . 1 1 21 21 GLU HG2 H 1 2.265 0.005 . 2 . 427 . A 21 GLU HG2 . 36021 1 227 . 1 1 21 21 GLU HG3 H 1 2.510 0.025 . 2 . 429 . A 21 GLU HG3 . 36021 1 228 . 1 1 21 21 GLU C C 13 179.429 . . 1 . 29 . A 21 GLU C . 36021 1 229 . 1 1 21 21 GLU CA C 13 59.661 0.051 . 1 . 131 . A 21 GLU CA . 36021 1 230 . 1 1 21 21 GLU CB C 13 29.460 0.064 . 1 . 116 . A 21 GLU CB . 36021 1 231 . 1 1 21 21 GLU CG C 13 36.457 0.103 . 1 . 428 . A 21 GLU CG . 36021 1 232 . 1 1 21 21 GLU N N 15 120.010 0.05 . 1 . 817 . A 21 GLU N . 36021 1 233 . 1 1 22 22 GLN H H 1 7.659 0.006 . 1 . 1028 . A 22 GLN H . 36021 1 234 . 1 1 22 22 GLN HA H 1 4.067 0.016 . 1 . 353 . A 22 GLN HA . 36021 1 235 . 1 1 22 22 GLN HB2 H 1 2.368 0.009 . 2 . 440 . A 22 GLN HB2 . 36021 1 236 . 1 1 22 22 GLN HB3 H 1 2.195 0.008 . 2 . 352 . A 22 GLN HB3 . 36021 1 237 . 1 1 22 22 GLN HG2 H 1 2.453 0.006 . 2 . 441 . A 22 GLN HG2 . 36021 1 238 . 1 1 22 22 GLN HG3 H 1 2.547 0.005 . 2 . 442 . A 22 GLN HG3 . 36021 1 239 . 1 1 22 22 GLN HE21 H 1 6.878 0.008 . 1 . 1138 . A 22 GLN HE21 . 36021 1 240 . 1 1 22 22 GLN HE22 H 1 7.421 0.001 . 1 . 1136 . A 22 GLN HE22 . 36021 1 241 . 1 1 22 22 GLN C C 13 179.518 . . 1 . 48 . A 22 GLN C . 36021 1 242 . 1 1 22 22 GLN CA C 13 58.719 0.047 . 1 . 118 . A 22 GLN CA . 36021 1 243 . 1 1 22 22 GLN CB C 13 27.840 0.032 . 1 . 117 . A 22 GLN CB . 36021 1 244 . 1 1 22 22 GLN CG C 13 33.425 0.025 . 1 . 443 . A 22 GLN CG . 36021 1 245 . 1 1 22 22 GLN N N 15 119.589 0.074 . 1 . 1027 . A 22 GLN N . 36021 1 246 . 1 1 22 22 GLN NE2 N 15 111.536 0.019 . 1 . 1137 . A 22 GLN NE2 . 36021 1 247 . 1 1 23 23 LEU H H 1 9.106 0.004 . 1 . 902 . A 23 LEU H . 36021 1 248 . 1 1 23 23 LEU HA H 1 3.984 0.013 . 1 . 265 . A 23 LEU HA . 36021 1 249 . 1 1 23 23 LEU HB2 H 1 2.094 0.004 . 2 . 723 . A 23 LEU HB2 . 36021 1 250 . 1 1 23 23 LEU HB3 H 1 1.179 0.011 . 2 . 724 . A 23 LEU HB3 . 36021 1 251 . 1 1 23 23 LEU HG H 1 1.117 0.003 . 1 . 720 . A 23 LEU HG . 36021 1 252 . 1 1 23 23 LEU HD11 H 1 0.839 0.013 . 2 . 725 . A 23 LEU HD11 . 36021 1 253 . 1 1 23 23 LEU HD12 H 1 0.839 0.013 . 2 . 725 . A 23 LEU HD12 . 36021 1 254 . 1 1 23 23 LEU HD13 H 1 0.839 0.013 . 2 . 725 . A 23 LEU HD13 . 36021 1 255 . 1 1 23 23 LEU HD21 H 1 0.839 0.009 . 2 . 722 . A 23 LEU HD21 . 36021 1 256 . 1 1 23 23 LEU HD22 H 1 0.839 0.009 . 2 . 722 . A 23 LEU HD22 . 36021 1 257 . 1 1 23 23 LEU HD23 H 1 0.839 0.009 . 2 . 722 . A 23 LEU HD23 . 36021 1 258 . 1 1 23 23 LEU C C 13 178.641 . . 1 . 62 . A 23 LEU C . 36021 1 259 . 1 1 23 23 LEU CA C 13 57.910 0.048 . 1 . 152 . A 23 LEU CA . 36021 1 260 . 1 1 23 23 LEU CB C 13 41.077 0.045 . 1 . 174 . A 23 LEU CB . 36021 1 261 . 1 1 23 23 LEU CG C 13 27.875 0.051 . 1 . 721 . A 23 LEU CG . 36021 1 262 . 1 1 23 23 LEU CD2 C 13 22.406 0.099 . 1 . 726 . A 23 LEU CD2 . 36021 1 263 . 1 1 23 23 LEU N N 15 121.060 0.045 . 1 . 901 . A 23 LEU N . 36021 1 264 . 1 1 24 24 GLN H H 1 7.968 0.01 . 1 . 854 . A 24 GLN H . 36021 1 265 . 1 1 24 24 GLN HA H 1 3.508 0.006 . 1 . 351 . A 24 GLN HA . 36021 1 266 . 1 1 24 24 GLN HB2 H 1 2.011 0.008 . 2 . 350 . A 24 GLN HB2 . 36021 1 267 . 1 1 24 24 GLN HB3 H 1 2.002 0.015 . 2 . 550 . A 24 GLN HB3 . 36021 1 268 . 1 1 24 24 GLN HG2 H 1 2.239 0.003 . 2 . 403 . A 24 GLN HG2 . 36021 1 269 . 1 1 24 24 GLN HG3 H 1 1.970 0.007 . 2 . 402 . A 24 GLN HG3 . 36021 1 270 . 1 1 24 24 GLN HE21 H 1 6.872 0.001 . 1 . 1141 . A 24 GLN HE21 . 36021 1 271 . 1 1 24 24 GLN HE22 H 1 7.072 0.001 . 1 . 1140 . A 24 GLN HE22 . 36021 1 272 . 1 1 24 24 GLN C C 13 178.738 . . 1 . 10 . A 24 GLN C . 36021 1 273 . 1 1 24 24 GLN CA C 13 59.589 0.078 . 1 . 176 . A 24 GLN CA . 36021 1 274 . 1 1 24 24 GLN CB C 13 28.887 0.092 . 1 . 175 . A 24 GLN CB . 36021 1 275 . 1 1 24 24 GLN CG C 13 34.860 0.027 . 1 . 401 . A 24 GLN CG . 36021 1 276 . 1 1 24 24 GLN N N 15 117.410 0.045 . 1 . 853 . A 24 GLN N . 36021 1 277 . 1 1 24 24 GLN NE2 N 15 111.764 0.018 . 1 . 1139 . A 24 GLN NE2 . 36021 1 278 . 1 1 25 25 ARG H H 1 7.325 0.004 . 1 . 803 . A 25 ARG H . 36021 1 279 . 1 1 25 25 ARG HA H 1 4.078 0.031 . 1 . 408 . A 25 ARG HA . 36021 1 280 . 1 1 25 25 ARG HB2 H 1 1.970 0.012 . 2 . 1076 . A 25 ARG HB2 . 36021 1 281 . 1 1 25 25 ARG HB3 H 1 1.853 0.016 . 2 . 1075 . A 25 ARG HB3 . 36021 1 282 . 1 1 25 25 ARG HG2 H 1 1.837 0.014 . 2 . 406 . A 25 ARG HG2 . 36021 1 283 . 1 1 25 25 ARG HG3 H 1 1.613 0.01 . 2 . 407 . A 25 ARG HG3 . 36021 1 284 . 1 1 25 25 ARG HD2 H 1 3.168 0.019 . 2 . 1081 . A 25 ARG HD2 . 36021 1 285 . 1 1 25 25 ARG HD3 H 1 3.247 0.003 . 2 . 1083 . A 25 ARG HD3 . 36021 1 286 . 1 1 25 25 ARG C C 13 179.109 . . 1 . 80 . A 25 ARG C . 36021 1 287 . 1 1 25 25 ARG CA C 13 59.398 . . 1 . 89 . A 25 ARG CA . 36021 1 288 . 1 1 25 25 ARG CB C 13 29.993 0.112 . 1 . 88 . A 25 ARG CB . 36021 1 289 . 1 1 25 25 ARG CG C 13 28.071 0.164 . 1 . 404 . A 25 ARG CG . 36021 1 290 . 1 1 25 25 ARG CD C 13 43.382 0.119 . 1 . 405 . A 25 ARG CD . 36021 1 291 . 1 1 25 25 ARG N N 15 118.755 0.042 . 1 . 802 . A 25 ARG N . 36021 1 292 . 1 1 26 26 LEU H H 1 7.940 0.01 . 1 . 939 . A 26 LEU H . 36021 1 293 . 1 1 26 26 LEU HA H 1 4.103 0.016 . 1 . 348 . A 26 LEU HA . 36021 1 294 . 1 1 26 26 LEU HB2 H 1 1.980 0.009 . 2 . 349 . A 26 LEU HB2 . 36021 1 295 . 1 1 26 26 LEU HB3 H 1 1.439 0.009 . 2 . 446 . A 26 LEU HB3 . 36021 1 296 . 1 1 26 26 LEU HG H 1 1.683 0.01 . 1 . 448 . A 26 LEU HG . 36021 1 297 . 1 1 26 26 LEU HD11 H 1 0.916 0.011 . 2 . 452 . A 26 LEU HD11 . 36021 1 298 . 1 1 26 26 LEU HD12 H 1 0.916 0.011 . 2 . 452 . A 26 LEU HD12 . 36021 1 299 . 1 1 26 26 LEU HD13 H 1 0.916 0.011 . 2 . 452 . A 26 LEU HD13 . 36021 1 300 . 1 1 26 26 LEU HD21 H 1 0.962 0.007 . 2 . 450 . A 26 LEU HD21 . 36021 1 301 . 1 1 26 26 LEU HD22 H 1 0.962 0.007 . 2 . 450 . A 26 LEU HD22 . 36021 1 302 . 1 1 26 26 LEU HD23 H 1 0.962 0.007 . 2 . 450 . A 26 LEU HD23 . 36021 1 303 . 1 1 26 26 LEU C C 13 179.257 . . 1 . 53 . A 26 LEU C . 36021 1 304 . 1 1 26 26 LEU CA C 13 57.765 . . 1 . 444 . A 26 LEU CA . 36021 1 305 . 1 1 26 26 LEU CB C 13 42.384 0.043 . 1 . 445 . A 26 LEU CB . 36021 1 306 . 1 1 26 26 LEU CG C 13 27.212 0.19 . 1 . 447 . A 26 LEU CG . 36021 1 307 . 1 1 26 26 LEU CD1 C 13 23.646 0.064 . 2 . 451 . A 26 LEU CD1 . 36021 1 308 . 1 1 26 26 LEU CD2 C 13 24.794 0.024 . 2 . 449 . A 26 LEU CD2 . 36021 1 309 . 1 1 26 26 LEU N N 15 121.632 0.047 . 1 . 938 . A 26 LEU N . 36021 1 310 . 1 1 27 27 ILE H H 1 8.370 0.006 . 1 . 877 . A 27 ILE H . 36021 1 311 . 1 1 27 27 ILE HA H 1 3.364 0.008 . 1 . 346 . A 27 ILE HA . 36021 1 312 . 1 1 27 27 ILE HB H 1 1.811 0.006 . 1 . 347 . A 27 ILE HB . 36021 1 313 . 1 1 27 27 ILE HG12 H 1 1.716 0.016 . 2 . 535 . A 27 ILE HG12 . 36021 1 314 . 1 1 27 27 ILE HG13 H 1 0.728 0.016 . 2 . 646 . A 27 ILE HG13 . 36021 1 315 . 1 1 27 27 ILE HG21 H 1 0.836 0.011 . 1 . 532 . A 27 ILE HG21 . 36021 1 316 . 1 1 27 27 ILE HG22 H 1 0.836 0.011 . 1 . 532 . A 27 ILE HG22 . 36021 1 317 . 1 1 27 27 ILE HG23 H 1 0.836 0.011 . 1 . 532 . A 27 ILE HG23 . 36021 1 318 . 1 1 27 27 ILE HD11 H 1 0.757 0.005 . 1 . 531 . A 27 ILE HD11 . 36021 1 319 . 1 1 27 27 ILE HD12 H 1 0.757 0.005 . 1 . 531 . A 27 ILE HD12 . 36021 1 320 . 1 1 27 27 ILE HD13 H 1 0.757 0.005 . 1 . 531 . A 27 ILE HD13 . 36021 1 321 . 1 1 27 27 ILE C C 13 177.546 . . 1 . 18 . A 27 ILE C . 36021 1 322 . 1 1 27 27 ILE CA C 13 66.645 0.099 . 1 . 101 . A 27 ILE CA . 36021 1 323 . 1 1 27 27 ILE CB C 13 37.854 0.069 . 1 . 534 . A 27 ILE CB . 36021 1 324 . 1 1 27 27 ILE CG1 C 13 31.866 0.168 . 1 . 647 . A 27 ILE CG1 . 36021 1 325 . 1 1 27 27 ILE CG2 C 13 16.611 0.03 . 1 . 533 . A 27 ILE CG2 . 36021 1 326 . 1 1 27 27 ILE CD1 C 13 14.108 0.034 . 1 . 530 . A 27 ILE CD1 . 36021 1 327 . 1 1 27 27 ILE N N 15 121.109 0.058 . 1 . 876 . A 27 ILE N . 36021 1 328 . 1 1 28 28 THR H H 1 7.789 0.003 . 1 . 821 . A 28 THR H . 36021 1 329 . 1 1 28 28 THR HA H 1 4.059 0.013 . 1 . 493 . A 28 THR HA . 36021 1 330 . 1 1 28 28 THR HB H 1 4.235 0.007 . 1 . 491 . A 28 THR HB . 36021 1 331 . 1 1 28 28 THR HG21 H 1 1.304 0.006 . 1 . 492 . A 28 THR HG21 . 36021 1 332 . 1 1 28 28 THR HG22 H 1 1.304 0.006 . 1 . 492 . A 28 THR HG22 . 36021 1 333 . 1 1 28 28 THR HG23 H 1 1.304 0.006 . 1 . 492 . A 28 THR HG23 . 36021 1 334 . 1 1 28 28 THR C C 13 177.289 . . 1 . 74 . A 28 THR C . 36021 1 335 . 1 1 28 28 THR CA C 13 66.648 0.032 . 1 . 489 . A 28 THR CA . 36021 1 336 . 1 1 28 28 THR CB C 13 68.809 0.06 . 1 . 490 . A 28 THR CB . 36021 1 337 . 1 1 28 28 THR CG2 C 13 22.111 0.026 . 1 . 494 . A 28 THR CG2 . 36021 1 338 . 1 1 28 28 THR N N 15 115.276 0.031 . 1 . 820 . A 28 THR N . 36021 1 339 . 1 1 29 29 GLN H H 1 7.914 0.009 . 1 . 905 . A 29 GLN H . 36021 1 340 . 1 1 29 29 GLN HA H 1 4.120 0.002 . 1 . 344 . A 29 GLN HA . 36021 1 341 . 1 1 29 29 GLN HB2 H 1 2.338 0.006 . 2 . 439 . A 29 GLN HB2 . 36021 1 342 . 1 1 29 29 GLN HB3 H 1 2.184 0.012 . 2 . 345 . A 29 GLN HB3 . 36021 1 343 . 1 1 29 29 GLN HG2 H 1 2.367 0.01 . 2 . 431 . A 29 GLN HG2 . 36021 1 344 . 1 1 29 29 GLN HG3 H 1 2.608 0.014 . 2 . 432 . A 29 GLN HG3 . 36021 1 345 . 1 1 29 29 GLN HE21 H 1 7.470 0.001 . 1 . 1135 . A 29 GLN HE21 . 36021 1 346 . 1 1 29 29 GLN HE22 H 1 6.773 0.001 . 1 . 1134 . A 29 GLN HE22 . 36021 1 347 . 1 1 29 29 GLN C C 13 179.798 . . 1 . 55 . A 29 GLN C . 36021 1 348 . 1 1 29 29 GLN CA C 13 59.164 0.045 . 1 . 159 . A 29 GLN CA . 36021 1 349 . 1 1 29 29 GLN CB C 13 28.913 0.199 . 1 . 438 . A 29 GLN CB . 36021 1 350 . 1 1 29 29 GLN CG C 13 34.130 0.103 . 1 . 430 . A 29 GLN CG . 36021 1 351 . 1 1 29 29 GLN N N 15 120.855 0.062 . 1 . 904 . A 29 GLN N . 36021 1 352 . 1 1 29 29 GLN NE2 N 15 110.777 0.016 . 1 . 1133 . A 29 GLN NE2 . 36021 1 353 . 1 1 30 30 LYS H H 1 8.707 0.008 . 1 . 996 . A 30 LYS H . 36021 1 354 . 1 1 30 30 LYS HA H 1 4.033 0.008 . 1 . 343 . A 30 LYS HA . 36021 1 355 . 1 1 30 30 LYS HB2 H 1 2.050 0.008 . 2 . 1163 . A 30 LYS HB2 . 36021 1 356 . 1 1 30 30 LYS HB3 H 1 1.739 0.009 . 2 . 1170 . A 30 LYS HB3 . 36021 1 357 . 1 1 30 30 LYS HG2 H 1 1.010 . . 2 . 1164 . A 30 LYS HG2 . 36021 1 358 . 1 1 30 30 LYS HG3 H 1 1.617 . . 2 . 1169 . A 30 LYS HG3 . 36021 1 359 . 1 1 30 30 LYS C C 13 178.417 . . 1 . 13 . A 30 LYS C . 36021 1 360 . 1 1 30 30 LYS CA C 13 60.070 0.153 . 1 . 161 . A 30 LYS CA . 36021 1 361 . 1 1 30 30 LYS CB C 13 34.321 0.054 . 1 . 160 . A 30 LYS CB . 36021 1 362 . 1 1 30 30 LYS N N 15 122.708 0.035 . 1 . 995 . A 30 LYS N . 36021 1 363 . 1 1 31 31 GLU H H 1 8.994 0.004 . 1 . 837 . A 31 GLU H . 36021 1 364 . 1 1 31 31 GLU HA H 1 3.969 0.01 . 1 . 341 . A 31 GLU HA . 36021 1 365 . 1 1 31 31 GLU HB2 H 1 2.329 0.011 . 2 . 342 . A 31 GLU HB2 . 36021 1 366 . 1 1 31 31 GLU HB3 H 1 1.926 0.005 . 2 . 1102 . A 31 GLU HB3 . 36021 1 367 . 1 1 31 31 GLU HG2 H 1 2.665 0.006 . 2 . 577 . A 31 GLU HG2 . 36021 1 368 . 1 1 31 31 GLU HG3 H 1 2.162 0.007 . 2 . 578 . A 31 GLU HG3 . 36021 1 369 . 1 1 31 31 GLU C C 13 180.257 . . 1 . 26 . A 31 GLU C . 36021 1 370 . 1 1 31 31 GLU CA C 13 60.270 0.07 . 1 . 94 . A 31 GLU CA . 36021 1 371 . 1 1 31 31 GLU CB C 13 29.496 0.132 . 1 . 576 . A 31 GLU CB . 36021 1 372 . 1 1 31 31 GLU CG C 13 37.783 0.091 . 1 . 575 . A 31 GLU CG . 36021 1 373 . 1 1 31 31 GLU N N 15 119.628 0.039 . 1 . 836 . A 31 GLU N . 36021 1 374 . 1 1 32 32 GLU H H 1 7.839 0.005 . 1 . 1056 . A 32 GLU H . 36021 1 375 . 1 1 32 32 GLU HA H 1 4.248 0.0 . 1 . 563 . A 32 GLU HA . 36021 1 376 . 1 1 32 32 GLU HB2 H 1 2.094 0.008 . 1 . 1069 . A 32 GLU HB2 . 36021 1 377 . 1 1 32 32 GLU HG2 H 1 2.348 0.003 . 2 . 622 . A 32 GLU HG2 . 36021 1 378 . 1 1 32 32 GLU HG3 H 1 2.346 0.006 . 2 . 621 . A 32 GLU HG3 . 36021 1 379 . 1 1 32 32 GLU C C 13 177.701 . . 1 . 66 . A 32 GLU C . 36021 1 380 . 1 1 32 32 GLU CB C 13 29.396 . . 1 . 564 . A 32 GLU CB . 36021 1 381 . 1 1 32 32 GLU CG C 13 35.392 0.031 . 1 . 619 . A 32 GLU CG . 36021 1 382 . 1 1 32 32 GLU N N 15 120.541 0.027 . 1 . 1055 . A 32 GLU N . 36021 1 383 . 1 1 33 33 LYS H H 1 7.862 0.019 . 1 . 942 . A 33 LYS H . 36021 1 384 . 1 1 33 33 LYS HA H 1 4.192 0.028 . 1 . 637 . A 33 LYS HA . 36021 1 385 . 1 1 33 33 LYS HB3 H 1 2.075 . . 1 . 1174 . A 33 LYS HB3 . 36021 1 386 . 1 1 33 33 LYS HG3 H 1 1.416 . . 1 . 1173 . A 33 LYS HG3 . 36021 1 387 . 1 1 33 33 LYS C C 13 178.913 . . 1 . 58 . A 33 LYS C . 36021 1 388 . 1 1 33 33 LYS CA C 13 59.315 0.073 . 1 . 166 . A 33 LYS CA . 36021 1 389 . 1 1 33 33 LYS CB C 13 31.796 . . 1 . 651 . A 33 LYS CB . 36021 1 390 . 1 1 33 33 LYS N N 15 120.962 0.052 . 1 . 941 . A 33 LYS N . 36021 1 391 . 1 1 34 34 ILE H H 1 8.298 0.005 . 1 . 1048 . A 34 ILE H . 36021 1 392 . 1 1 34 34 ILE HA H 1 3.466 0.014 . 1 . 340 . A 34 ILE HA . 36021 1 393 . 1 1 34 34 ILE HB H 1 1.900 0.011 . 1 . 541 . A 34 ILE HB . 36021 1 394 . 1 1 34 34 ILE HG12 H 1 1.867 0.014 . 2 . 650 . A 34 ILE HG12 . 36021 1 395 . 1 1 34 34 ILE HG13 H 1 0.699 0.01 . 2 . 648 . A 34 ILE HG13 . 36021 1 396 . 1 1 34 34 ILE HG21 H 1 0.881 0.013 . 1 . 537 . A 34 ILE HG21 . 36021 1 397 . 1 1 34 34 ILE HG22 H 1 0.881 0.013 . 1 . 537 . A 34 ILE HG22 . 36021 1 398 . 1 1 34 34 ILE HG23 H 1 0.881 0.013 . 1 . 537 . A 34 ILE HG23 . 36021 1 399 . 1 1 34 34 ILE HD11 H 1 1.029 0.011 . 1 . 538 . A 34 ILE HD11 . 36021 1 400 . 1 1 34 34 ILE HD12 H 1 1.029 0.011 . 1 . 538 . A 34 ILE HD12 . 36021 1 401 . 1 1 34 34 ILE HD13 H 1 1.029 0.011 . 1 . 538 . A 34 ILE HD13 . 36021 1 402 . 1 1 34 34 ILE C C 13 176.997 . . 1 . 57 . A 34 ILE C . 36021 1 403 . 1 1 34 34 ILE CA C 13 66.466 0.193 . 1 . 164 . A 34 ILE CA . 36021 1 404 . 1 1 34 34 ILE CB C 13 38.263 0.065 . 1 . 540 . A 34 ILE CB . 36021 1 405 . 1 1 34 34 ILE CG1 C 13 32.509 0.109 . 1 . 649 . A 34 ILE CG1 . 36021 1 406 . 1 1 34 34 ILE CG2 C 13 17.137 0.125 . 1 . 536 . A 34 ILE CG2 . 36021 1 407 . 1 1 34 34 ILE CD1 C 13 15.506 0.053 . 1 . 539 . A 34 ILE CD1 . 36021 1 408 . 1 1 34 34 ILE N N 15 119.266 0.035 . 1 . 1047 . A 34 ILE N . 36021 1 409 . 1 1 35 35 ARG H H 1 7.801 0.011 . 1 . 913 . A 35 ARG H . 36021 1 410 . 1 1 35 35 ARG HA H 1 3.928 0.009 . 1 . 1109 . A 35 ARG HA . 36021 1 411 . 1 1 35 35 ARG HB2 H 1 2.045 0.005 . 1 . 1113 . A 35 ARG HB2 . 36021 1 412 . 1 1 35 35 ARG HG2 H 1 1.818 0.0 . 2 . 1123 . A 35 ARG HG2 . 36021 1 413 . 1 1 35 35 ARG HG3 H 1 1.544 0.005 . 2 . 1121 . A 35 ARG HG3 . 36021 1 414 . 1 1 35 35 ARG C C 13 180.022 . . 1 . 2 . A 35 ARG C . 36021 1 415 . 1 1 35 35 ARG CB C 13 30.154 0.027 . 1 . 1114 . A 35 ARG CB . 36021 1 416 . 1 1 35 35 ARG CG C 13 28.018 0.034 . 1 . 1122 . A 35 ARG CG . 36021 1 417 . 1 1 35 35 ARG N N 15 119.802 0.044 . 1 . 911 . A 35 ARG N . 36021 1 418 . 1 1 36 36 VAL H H 1 8.070 0.006 . 1 . 899 . A 36 VAL H . 36021 1 419 . 1 1 36 36 VAL HA H 1 3.692 0.003 . 1 . 336 . A 36 VAL HA . 36021 1 420 . 1 1 36 36 VAL HB H 1 2.263 0.006 . 1 . 337 . A 36 VAL HB . 36021 1 421 . 1 1 36 36 VAL HG11 H 1 0.953 0.007 . 2 . 475 . A 36 VAL HG11 . 36021 1 422 . 1 1 36 36 VAL HG12 H 1 0.953 0.007 . 2 . 475 . A 36 VAL HG12 . 36021 1 423 . 1 1 36 36 VAL HG13 H 1 0.953 0.007 . 2 . 475 . A 36 VAL HG13 . 36021 1 424 . 1 1 36 36 VAL HG21 H 1 1.094 0.005 . 2 . 476 . A 36 VAL HG21 . 36021 1 425 . 1 1 36 36 VAL HG22 H 1 1.094 0.005 . 2 . 476 . A 36 VAL HG22 . 36021 1 426 . 1 1 36 36 VAL HG23 H 1 1.094 0.005 . 2 . 476 . A 36 VAL HG23 . 36021 1 427 . 1 1 36 36 VAL C C 13 179.012 . . 1 . 25 . A 36 VAL C . 36021 1 428 . 1 1 36 36 VAL CA C 13 66.537 0.081 . 1 . 109 . A 36 VAL CA . 36021 1 429 . 1 1 36 36 VAL CG1 C 13 21.130 0.043 . 2 . 477 . A 36 VAL CG1 . 36021 1 430 . 1 1 36 36 VAL CG2 C 13 22.791 0.069 . 2 . 478 . A 36 VAL CG2 . 36021 1 431 . 1 1 36 36 VAL N N 15 120.450 0.05 . 1 . 898 . A 36 VAL N . 36021 1 432 . 1 1 37 37 LEU H H 1 8.596 0.006 . 1 . 999 . A 37 LEU H . 36021 1 433 . 1 1 37 37 LEU HA H 1 3.939 0.011 . 1 . 335 . A 37 LEU HA . 36021 1 434 . 1 1 37 37 LEU HB2 H 1 1.285 0.012 . 2 . 763 . A 37 LEU HB2 . 36021 1 435 . 1 1 37 37 LEU HB3 H 1 2.078 0.015 . 2 . 762 . A 37 LEU HB3 . 36021 1 436 . 1 1 37 37 LEU HG H 1 0.966 0.021 . 1 . 765 . A 37 LEU HG . 36021 1 437 . 1 1 37 37 LEU HD11 H 1 0.859 0.008 . 2 . 766 . A 37 LEU HD11 . 36021 1 438 . 1 1 37 37 LEU HD12 H 1 0.859 0.008 . 2 . 766 . A 37 LEU HD12 . 36021 1 439 . 1 1 37 37 LEU HD13 H 1 0.859 0.008 . 2 . 766 . A 37 LEU HD13 . 36021 1 440 . 1 1 37 37 LEU HD21 H 1 0.848 0.006 . 2 . 727 . A 37 LEU HD21 . 36021 1 441 . 1 1 37 37 LEU HD22 H 1 0.848 0.006 . 2 . 727 . A 37 LEU HD22 . 36021 1 442 . 1 1 37 37 LEU HD23 H 1 0.848 0.006 . 2 . 727 . A 37 LEU HD23 . 36021 1 443 . 1 1 37 37 LEU C C 13 179.261 . . 1 . 22 . A 37 LEU C . 36021 1 444 . 1 1 37 37 LEU CA C 13 58.365 0.065 . 1 . 110 . A 37 LEU CA . 36021 1 445 . 1 1 37 37 LEU CB C 13 42.724 0.16 . 1 . 636 . A 37 LEU CB . 36021 1 446 . 1 1 37 37 LEU CG C 13 27.872 0.04 . 1 . 764 . A 37 LEU CG . 36021 1 447 . 1 1 37 37 LEU CD2 C 13 22.869 0.054 . 1 . 728 . A 37 LEU CD2 . 36021 1 448 . 1 1 37 37 LEU N N 15 121.460 0.036 . 1 . 998 . A 37 LEU N . 36021 1 449 . 1 1 38 38 ARG H H 1 8.934 0.01 . 1 . 860 . A 38 ARG H . 36021 1 450 . 1 1 38 38 ARG HA H 1 3.931 0.016 . 1 . 1084 . A 38 ARG HA . 36021 1 451 . 1 1 38 38 ARG HB2 H 1 1.618 . . 2 . 1117 . A 38 ARG HB2 . 36021 1 452 . 1 1 38 38 ARG HB3 H 1 1.966 0.003 . 2 . 1087 . A 38 ARG HB3 . 36021 1 453 . 1 1 38 38 ARG HG3 H 1 1.842 . . 1 . 1118 . A 38 ARG HG3 . 36021 1 454 . 1 1 38 38 ARG HD2 H 1 3.123 0.004 . 2 . 1093 . A 38 ARG HD2 . 36021 1 455 . 1 1 38 38 ARG HD3 H 1 3.480 . . 2 . 1092 . A 38 ARG HD3 . 36021 1 456 . 1 1 38 38 ARG C C 13 179.412 . . 1 . 37 . A 38 ARG C . 36021 1 457 . 1 1 38 38 ARG CA C 13 60.443 0.096 . 1 . 106 . A 38 ARG CA . 36021 1 458 . 1 1 38 38 ARG N N 15 117.231 0.041 . 1 . 859 . A 38 ARG N . 36021 1 459 . 1 1 39 39 GLN H H 1 7.842 0.011 . 1 . 1036 . A 39 GLN H . 36021 1 460 . 1 1 39 39 GLN HA H 1 4.100 0.007 . 1 . 332 . A 39 GLN HA . 36021 1 461 . 1 1 39 39 GLN HB2 H 1 2.237 0.007 . 2 . 333 . A 39 GLN HB2 . 36021 1 462 . 1 1 39 39 GLN HB3 H 1 2.231 0.013 . 2 . 549 . A 39 GLN HB3 . 36021 1 463 . 1 1 39 39 GLN HG2 H 1 2.450 0.016 . 2 . 548 . A 39 GLN HG2 . 36021 1 464 . 1 1 39 39 GLN HG3 H 1 2.439 0.018 . 2 . 546 . A 39 GLN HG3 . 36021 1 465 . 1 1 39 39 GLN HE21 H 1 6.849 0.002 . 1 . 1147 . A 39 GLN HE21 . 36021 1 466 . 1 1 39 39 GLN HE22 H 1 7.791 0.002 . 1 . 1145 . A 39 GLN HE22 . 36021 1 467 . 1 1 39 39 GLN C C 13 178.325 . . 1 . 27 . A 39 GLN C . 36021 1 468 . 1 1 39 39 GLN CA C 13 58.522 . . 1 . 112 . A 39 GLN CA . 36021 1 469 . 1 1 39 39 GLN CB C 13 27.726 0.033 . 1 . 111 . A 39 GLN CB . 36021 1 470 . 1 1 39 39 GLN CG C 13 33.377 0.043 . 1 . 547 . A 39 GLN CG . 36021 1 471 . 1 1 39 39 GLN N N 15 119.586 0.042 . 1 . 1035 . A 39 GLN N . 36021 1 472 . 1 1 39 39 GLN NE2 N 15 112.241 0.017 . 1 . 1146 . A 39 GLN NE2 . 36021 1 473 . 1 1 40 40 ARG H H 1 8.209 0.006 . 1 . 812 . A 40 ARG H . 36021 1 474 . 1 1 40 40 ARG HA H 1 4.104 0.016 . 1 . 331 . A 40 ARG HA . 36021 1 475 . 1 1 40 40 ARG HB2 H 1 1.967 . . 2 . 1097 . A 40 ARG HB2 . 36021 1 476 . 1 1 40 40 ARG HB3 H 1 2.104 0.008 . 2 . 1096 . A 40 ARG HB3 . 36021 1 477 . 1 1 40 40 ARG HG3 H 1 1.758 . . 1 . 1101 . A 40 ARG HG3 . 36021 1 478 . 1 1 40 40 ARG HD2 H 1 3.226 0.006 . 2 . 1082 . A 40 ARG HD2 . 36021 1 479 . 1 1 40 40 ARG HD3 H 1 3.118 0.003 . 2 . 1080 . A 40 ARG HD3 . 36021 1 480 . 1 1 40 40 ARG CA C 13 58.932 . . 1 . 114 . A 40 ARG CA . 36021 1 481 . 1 1 40 40 ARG CB C 13 30.384 . . 1 . 113 . A 40 ARG CB . 36021 1 482 . 1 1 40 40 ARG N N 15 119.849 0.044 . 1 . 810 . A 40 ARG N . 36021 1 483 . 1 1 41 41 LEU H H 1 7.982 0.006 . 1 . 969 . A 41 LEU H . 36021 1 484 . 1 1 41 41 LEU HA H 1 4.028 0.006 . 1 . 732 . A 41 LEU HA . 36021 1 485 . 1 1 41 41 LEU HB2 H 1 1.837 0.012 . 2 . 733 . A 41 LEU HB2 . 36021 1 486 . 1 1 41 41 LEU HB3 H 1 1.693 0.009 . 2 . 734 . A 41 LEU HB3 . 36021 1 487 . 1 1 41 41 LEU HG H 1 1.670 0.016 . 1 . 737 . A 41 LEU HG . 36021 1 488 . 1 1 41 41 LEU HD11 H 1 0.866 0.015 . 2 . 735 . A 41 LEU HD11 . 36021 1 489 . 1 1 41 41 LEU HD12 H 1 0.866 0.015 . 2 . 735 . A 41 LEU HD12 . 36021 1 490 . 1 1 41 41 LEU HD13 H 1 0.866 0.015 . 2 . 735 . A 41 LEU HD13 . 36021 1 491 . 1 1 41 41 LEU HD21 H 1 0.942 0.014 . 2 . 739 . A 41 LEU HD21 . 36021 1 492 . 1 1 41 41 LEU HD22 H 1 0.942 0.014 . 2 . 739 . A 41 LEU HD22 . 36021 1 493 . 1 1 41 41 LEU HD23 H 1 0.942 0.014 . 2 . 739 . A 41 LEU HD23 . 36021 1 494 . 1 1 41 41 LEU C C 13 179.578 . . 1 . 3 . A 41 LEU C . 36021 1 495 . 1 1 41 41 LEU CA C 13 58.290 . . 1 . 729 . A 41 LEU CA . 36021 1 496 . 1 1 41 41 LEU CB C 13 42.167 0.131 . 1 . 730 . A 41 LEU CB . 36021 1 497 . 1 1 41 41 LEU CG C 13 27.401 0.157 . 1 . 738 . A 41 LEU CG . 36021 1 498 . 1 1 41 41 LEU CD1 C 13 24.718 0.037 . 2 . 736 . A 41 LEU CD1 . 36021 1 499 . 1 1 41 41 LEU CD2 C 13 25.948 0.013 . 2 . 731 . A 41 LEU CD2 . 36021 1 500 . 1 1 41 41 LEU N N 15 120.421 0.091 . 1 . 968 . A 41 LEU N . 36021 1 501 . 1 1 42 42 VAL H H 1 7.967 0.006 . 1 . 951 . A 42 VAL H . 36021 1 502 . 1 1 42 42 VAL HA H 1 3.797 0.004 . 1 . 330 . A 42 VAL HA . 36021 1 503 . 1 1 42 42 VAL HB H 1 2.269 0.004 . 1 . 329 . A 42 VAL HB . 36021 1 504 . 1 1 42 42 VAL HG11 H 1 0.971 0.003 . 2 . 473 . A 42 VAL HG11 . 36021 1 505 . 1 1 42 42 VAL HG12 H 1 0.971 0.003 . 2 . 473 . A 42 VAL HG12 . 36021 1 506 . 1 1 42 42 VAL HG13 H 1 0.971 0.003 . 2 . 473 . A 42 VAL HG13 . 36021 1 507 . 1 1 42 42 VAL HG21 H 1 1.086 0.007 . 2 . 474 . A 42 VAL HG21 . 36021 1 508 . 1 1 42 42 VAL HG22 H 1 1.086 0.007 . 2 . 474 . A 42 VAL HG22 . 36021 1 509 . 1 1 42 42 VAL HG23 H 1 1.086 0.007 . 2 . 474 . A 42 VAL HG23 . 36021 1 510 . 1 1 42 42 VAL C C 13 179.097 . . 1 . 9 . A 42 VAL C . 36021 1 511 . 1 1 42 42 VAL CA C 13 65.722 0.06 . 1 . 230 . A 42 VAL CA . 36021 1 512 . 1 1 42 42 VAL CB C 13 31.820 0.039 . 1 . 479 . A 42 VAL CB . 36021 1 513 . 1 1 42 42 VAL CG1 C 13 21.179 0.04 . 2 . 480 . A 42 VAL CG1 . 36021 1 514 . 1 1 42 42 VAL CG2 C 13 22.632 0.048 . 2 . 481 . A 42 VAL CG2 . 36021 1 515 . 1 1 42 42 VAL N N 15 120.713 0.078 . 1 . 950 . A 42 VAL N . 36021 1 516 . 1 1 43 43 GLU H H 1 8.106 0.008 . 1 . 988 . A 43 GLU H . 36021 1 517 . 1 1 43 43 GLU HA H 1 4.097 0.004 . 1 . 327 . A 43 GLU HA . 36021 1 518 . 1 1 43 43 GLU HB2 H 1 2.122 0.009 . 2 . 605 . A 43 GLU HB2 . 36021 1 519 . 1 1 43 43 GLU HB3 H 1 2.118 0.009 . 2 . 328 . A 43 GLU HB3 . 36021 1 520 . 1 1 43 43 GLU HG2 H 1 2.318 0.012 . 2 . 603 . A 43 GLU HG2 . 36021 1 521 . 1 1 43 43 GLU HG3 H 1 2.506 0.012 . 2 . 604 . A 43 GLU HG3 . 36021 1 522 . 1 1 43 43 GLU C C 13 178.014 . . 1 . 15 . A 43 GLU C . 36021 1 523 . 1 1 43 43 GLU CA C 13 58.278 0.004 . 1 . 231 . A 43 GLU CA . 36021 1 524 . 1 1 43 43 GLU CB C 13 29.621 0.094 . 1 . 96 . A 43 GLU CB . 36021 1 525 . 1 1 43 43 GLU CG C 13 36.645 0.065 . 1 . 602 . A 43 GLU CG . 36021 1 526 . 1 1 43 43 GLU N N 15 120.010 0.041 . 1 . 987 . A 43 GLU N . 36021 1 527 . 1 1 44 44 ARG H H 1 7.770 0.004 . 1 . 922 . A 44 ARG H . 36021 1 528 . 1 1 44 44 ARG HA H 1 4.244 0.002 . 1 . 324 . A 44 ARG HA . 36021 1 529 . 1 1 44 44 ARG HB2 H 1 1.956 0.011 . 2 . 326 . A 44 ARG HB2 . 36021 1 530 . 1 1 44 44 ARG HB3 H 1 2.055 0.014 . 2 . 325 . A 44 ARG HB3 . 36021 1 531 . 1 1 44 44 ARG HG2 H 1 1.813 0.001 . 2 . 1154 . A 44 ARG HG2 . 36021 1 532 . 1 1 44 44 ARG HG3 H 1 1.820 0.004 . 2 . 1073 . A 44 ARG HG3 . 36021 1 533 . 1 1 44 44 ARG HD2 H 1 3.229 . . 2 . 1157 . A 44 ARG HD2 . 36021 1 534 . 1 1 44 44 ARG HD3 H 1 3.170 . . 2 . 1156 . A 44 ARG HD3 . 36021 1 535 . 1 1 44 44 ARG C C 13 177.671 . . 1 . 36 . A 44 ARG C . 36021 1 536 . 1 1 44 44 ARG CA C 13 57.528 . . 1 . 132 . A 44 ARG CA . 36021 1 537 . 1 1 44 44 ARG CB C 13 30.404 0.198 . 1 . 97 . A 44 ARG CB . 36021 1 538 . 1 1 44 44 ARG CG C 13 26.868 0.033 . 1 . 1155 . A 44 ARG CG . 36021 1 539 . 1 1 44 44 ARG N N 15 118.858 0.043 . 1 . 921 . A 44 ARG N . 36021 1 540 . 1 1 45 45 GLY H H 1 7.918 0.004 . 1 . 882 . A 45 GLY H . 36021 1 541 . 1 1 45 45 GLY HA2 H 1 3.951 0.002 . 2 . 323 . A 45 GLY HA2 . 36021 1 542 . 1 1 45 45 GLY HA3 H 1 4.060 0.024 . 2 . 322 . A 45 GLY HA3 . 36021 1 543 . 1 1 45 45 GLY C C 13 174.238 . . 1 . 216 . A 45 GLY C . 36021 1 544 . 1 1 45 45 GLY CA C 13 45.636 0.015 . 1 . 133 . A 45 GLY CA . 36021 1 545 . 1 1 45 45 GLY N N 15 107.070 0.051 . 1 . 881 . A 45 GLY N . 36021 1 546 . 1 1 46 46 ASP H H 1 8.214 0.008 . 1 . 1054 . A 46 ASP H . 36021 1 547 . 1 1 46 46 ASP HA H 1 4.610 0.01 . 1 . 304 . A 46 ASP HA . 36021 1 548 . 1 1 46 46 ASP HB2 H 1 2.704 0.002 . 2 . 303 . A 46 ASP HB2 . 36021 1 549 . 1 1 46 46 ASP HB3 H 1 2.618 0.007 . 2 . 321 . A 46 ASP HB3 . 36021 1 550 . 1 1 46 46 ASP C C 13 176.291 . . 1 . 81 . A 46 ASP C . 36021 1 551 . 1 1 46 46 ASP CA C 13 54.403 0.049 . 1 . 85 . A 46 ASP CA . 36021 1 552 . 1 1 46 46 ASP CB C 13 41.282 0.039 . 1 . 203 . A 46 ASP CB . 36021 1 553 . 1 1 46 46 ASP N N 15 120.705 0.053 . 1 . 1053 . A 46 ASP N . 36021 1 554 . 1 1 47 47 ALA H H 1 8.208 0.003 . 1 . 875 . A 47 ALA H . 36021 1 555 . 1 1 47 47 ALA HA H 1 4.320 0.002 . 1 . 319 . A 47 ALA HA . 36021 1 556 . 1 1 47 47 ALA HB1 H 1 1.402 0.007 . 1 . 320 . A 47 ALA HB1 . 36021 1 557 . 1 1 47 47 ALA HB2 H 1 1.402 0.007 . 1 . 320 . A 47 ALA HB2 . 36021 1 558 . 1 1 47 47 ALA HB3 H 1 1.402 0.007 . 1 . 320 . A 47 ALA HB3 . 36021 1 559 . 1 1 47 47 ALA C C 13 177.965 . . 1 . 217 . A 47 ALA C . 36021 1 560 . 1 1 47 47 ALA CA C 13 52.715 0.039 . 1 . 205 . A 47 ALA CA . 36021 1 561 . 1 1 47 47 ALA CB C 13 19.209 0.071 . 1 . 204 . A 47 ALA CB . 36021 1 562 . 1 1 47 47 ALA N N 15 123.972 0.062 . 1 . 874 . A 47 ALA N . 36021 1 563 . 1 1 48 48 LYS H H 1 8.369 0.005 . 1 . 1016 . A 48 LYS H . 36021 1 564 . 1 1 48 48 LYS HA H 1 4.309 0.004 . 1 . 316 . A 48 LYS HA . 36021 1 565 . 1 1 48 48 LYS HB2 H 1 1.876 0.017 . 2 . 317 . A 48 LYS HB2 . 36021 1 566 . 1 1 48 48 LYS HB3 H 1 1.825 0.007 . 2 . 318 . A 48 LYS HB3 . 36021 1 567 . 1 1 48 48 LYS HG2 H 1 1.500 0.016 . 2 . 671 . A 48 LYS HG2 . 36021 1 568 . 1 1 48 48 LYS HG3 H 1 1.479 0.024 . 2 . 672 . A 48 LYS HG3 . 36021 1 569 . 1 1 48 48 LYS HD2 H 1 1.700 0.009 . 2 . 670 . A 48 LYS HD2 . 36021 1 570 . 1 1 48 48 LYS HD3 H 1 1.700 0.009 . 2 . 668 . A 48 LYS HD3 . 36021 1 571 . 1 1 48 48 LYS HE2 H 1 3.004 0.005 . 2 . 666 . A 48 LYS HE2 . 36021 1 572 . 1 1 48 48 LYS HE3 H 1 3.004 0.005 . 2 . 665 . A 48 LYS HE3 . 36021 1 573 . 1 1 48 48 LYS C C 13 177.462 . . 1 . 7 . A 48 LYS C . 36021 1 574 . 1 1 48 48 LYS CA C 13 56.565 0.008 . 1 . 147 . A 48 LYS CA . 36021 1 575 . 1 1 48 48 LYS CB C 13 32.827 0.15 . 1 . 86 . A 48 LYS CB . 36021 1 576 . 1 1 48 48 LYS CG C 13 24.753 0.069 . 1 . 673 . A 48 LYS CG . 36021 1 577 . 1 1 48 48 LYS CD C 13 29.075 0.084 . 1 . 669 . A 48 LYS CD . 36021 1 578 . 1 1 48 48 LYS CE C 13 42.072 0.062 . 1 . 667 . A 48 LYS CE . 36021 1 579 . 1 1 48 48 LYS N N 15 120.228 0.068 . 1 . 1015 . A 48 LYS N . 36021 1 580 . 1 1 49 49 GLY H H 1 8.489 0.004 . 1 . 908 . A 49 GLY H . 36021 1 581 . 1 1 49 49 GLY HA2 H 1 4.020 0.003 . 2 . 314 . A 49 GLY HA2 . 36021 1 582 . 1 1 49 49 GLY HA3 H 1 4.019 0.003 . 2 . 315 . A 49 GLY HA3 . 36021 1 583 . 1 1 49 49 GLY C C 13 174.533 . . 1 . 31 . A 49 GLY C . 36021 1 584 . 1 1 49 49 GLY CA C 13 45.427 0.047 . 1 . 87 . A 49 GLY CA . 36021 1 585 . 1 1 49 49 GLY N N 15 109.766 0.098 . 1 . 907 . A 49 GLY N . 36021 1 586 . 1 1 50 50 THR H H 1 8.071 0.002 . 1 . 897 . A 50 THR H . 36021 1 587 . 1 1 50 50 THR HA H 1 4.323 0.004 . 1 . 281 . A 50 THR HA . 36021 1 588 . 1 1 50 50 THR HB H 1 4.255 0.002 . 1 . 487 . A 50 THR HB . 36021 1 589 . 1 1 50 50 THR HG21 H 1 1.199 0.013 . 1 . 486 . A 50 THR HG21 . 36021 1 590 . 1 1 50 50 THR HG22 H 1 1.199 0.013 . 1 . 486 . A 50 THR HG22 . 36021 1 591 . 1 1 50 50 THR HG23 H 1 1.199 0.013 . 1 . 486 . A 50 THR HG23 . 36021 1 592 . 1 1 50 50 THR C C 13 174.731 . . 1 . 219 . A 50 THR C . 36021 1 593 . 1 1 50 50 THR CA C 13 61.935 0.033 . 1 . 123 . A 50 THR CA . 36021 1 594 . 1 1 50 50 THR CB C 13 69.660 0.053 . 1 . 218 . A 50 THR CB . 36021 1 595 . 1 1 50 50 THR CG2 C 13 21.509 0.143 . 1 . 488 . A 50 THR CG2 . 36021 1 596 . 1 1 50 50 THR N N 15 113.218 0.062 . 1 . 896 . A 50 THR N . 36021 1 597 . 1 1 51 51 GLU H H 1 8.552 0.002 . 1 . 1026 . A 51 GLU H . 36021 1 598 . 1 1 51 51 GLU HA H 1 4.307 0.009 . 1 . 311 . A 51 GLU HA . 36021 1 599 . 1 1 51 51 GLU HB2 H 1 2.073 0.007 . 2 . 313 . A 51 GLU HB2 . 36021 1 600 . 1 1 51 51 GLU HB3 H 1 1.962 0.004 . 2 . 312 . A 51 GLU HB3 . 36021 1 601 . 1 1 51 51 GLU HG2 H 1 2.269 0.015 . 2 . 585 . A 51 GLU HG2 . 36021 1 602 . 1 1 51 51 GLU HG3 H 1 2.272 0.015 . 2 . 584 . A 51 GLU HG3 . 36021 1 603 . 1 1 51 51 GLU C C 13 176.228 . . 1 . 221 . A 51 GLU C . 36021 1 604 . 1 1 51 51 GLU CA C 13 56.662 0.012 . 1 . 108 . A 51 GLU CA . 36021 1 605 . 1 1 51 51 GLU CB C 13 30.062 0.058 . 1 . 220 . A 51 GLU CB . 36021 1 606 . 1 1 51 51 GLU CG C 13 36.385 0.052 . 1 . 583 . A 51 GLU CG . 36021 1 607 . 1 1 51 51 GLU N N 15 123.268 0.057 . 1 . 1025 . A 51 GLU N . 36021 1 608 . 1 1 52 52 LEU H H 1 8.293 0.005 . 1 . 880 . A 52 LEU H . 36021 1 609 . 1 1 52 52 LEU HA H 1 4.361 0.003 . 1 . 309 . A 52 LEU HA . 36021 1 610 . 1 1 52 52 LEU HB2 H 1 1.616 0.016 . 2 . 310 . A 52 LEU HB2 . 36021 1 611 . 1 1 52 52 LEU HB3 H 1 1.621 0.014 . 2 . 740 . A 52 LEU HB3 . 36021 1 612 . 1 1 52 52 LEU HG H 1 1.622 0.019 . 1 . 507 . A 52 LEU HG . 36021 1 613 . 1 1 52 52 LEU HD11 H 1 0.918 0.001 . 2 . 1086 . A 52 LEU HD11 . 36021 1 614 . 1 1 52 52 LEU HD12 H 1 0.918 0.001 . 2 . 1086 . A 52 LEU HD12 . 36021 1 615 . 1 1 52 52 LEU HD13 H 1 0.918 0.001 . 2 . 1086 . A 52 LEU HD13 . 36021 1 616 . 1 1 52 52 LEU HD21 H 1 0.860 0.011 . 2 . 506 . A 52 LEU HD21 . 36021 1 617 . 1 1 52 52 LEU HD22 H 1 0.860 0.011 . 2 . 506 . A 52 LEU HD22 . 36021 1 618 . 1 1 52 52 LEU HD23 H 1 0.860 0.011 . 2 . 506 . A 52 LEU HD23 . 36021 1 619 . 1 1 52 52 LEU C C 13 176.259 . . 1 . 43 . A 52 LEU C . 36021 1 620 . 1 1 52 52 LEU CA C 13 55.031 0.004 . 1 . 222 . A 52 LEU CA . 36021 1 621 . 1 1 52 52 LEU CB C 13 42.383 0.058 . 1 . 192 . A 52 LEU CB . 36021 1 622 . 1 1 52 52 LEU CG C 13 27.102 0.103 . 1 . 505 . A 52 LEU CG . 36021 1 623 . 1 1 52 52 LEU CD1 C 13 25.087 0.007 . 2 . 1085 . A 52 LEU CD1 . 36021 1 624 . 1 1 52 52 LEU CD2 C 13 23.338 0.071 . 2 . 504 . A 52 LEU CD2 . 36021 1 625 . 1 1 52 52 LEU N N 15 123.445 0.061 . 1 . 879 . A 52 LEU N . 36021 1 626 . 1 1 53 53 ASN H H 1 7.974 0.003 . 1 . 849 . A 53 ASN H . 36021 1 627 . 1 1 53 53 ASN HA H 1 4.450 0.002 . 1 . 509 . A 53 ASN HA . 36021 1 628 . 1 1 53 53 ASN HB2 H 1 2.750 0.003 . 2 . 508 . A 53 ASN HB2 . 36021 1 629 . 1 1 53 53 ASN HB3 H 1 2.659 0.001 . 2 . 511 . A 53 ASN HB3 . 36021 1 630 . 1 1 53 53 ASN HD21 H 1 6.848 0.001 . 1 . 1130 . A 53 ASN HD21 . 36021 1 631 . 1 1 53 53 ASN HD22 H 1 7.526 0.001 . 1 . 1129 . A 53 ASN HD22 . 36021 1 632 . 1 1 53 53 ASN CA C 13 54.719 0.058 . 1 . 139 . A 53 ASN CA . 36021 1 633 . 1 1 53 53 ASN CB C 13 40.582 0.04 . 1 . 510 . A 53 ASN CB . 36021 1 634 . 1 1 53 53 ASN N N 15 124.753 0.043 . 1 . 848 . A 53 ASN N . 36021 1 635 . 1 1 53 53 ASN ND2 N 15 113.007 0.011 . 1 . 1149 . A 53 ASN ND2 . 36021 1 636 . 2 2 2 2 PRO HA H 1 4.465 0.002 . 1 . 306 . B 85 PRO HA . 36021 1 637 . 2 2 2 2 PRO HB2 H 1 1.946 0.003 . 2 . 308 . B 85 PRO HB2 . 36021 1 638 . 2 2 2 2 PRO HB3 H 1 2.312 0.01 . 2 . 307 . B 85 PRO HB3 . 36021 1 639 . 2 2 2 2 PRO HG2 H 1 2.009 0.005 . 1 . 455 . B 85 PRO HG2 . 36021 1 640 . 2 2 2 2 PRO HD3 H 1 3.574 0.004 . 1 . 453 . B 85 PRO HD3 . 36021 1 641 . 2 2 2 2 PRO C C 13 177.181 . . 1 . 61 . B 85 PRO C . 36021 1 642 . 2 2 2 2 PRO CA C 13 63.131 . . 1 . 483 . B 85 PRO CA . 36021 1 643 . 2 2 2 2 PRO CB C 13 32.292 0.092 . 1 . 171 . B 85 PRO CB . 36021 1 644 . 2 2 2 2 PRO CG C 13 27.093 0.064 . 1 . 456 . B 85 PRO CG . 36021 1 645 . 2 2 2 2 PRO CD C 13 49.727 0.043 . 1 . 454 . B 85 PRO CD . 36021 1 646 . 2 2 3 3 LEU H H 1 8.597 0.002 . 1 . 1031 . B 86 LEU H . 36021 1 647 . 2 2 3 3 LEU HA H 1 4.347 0.001 . 1 . 783 . B 86 LEU HA . 36021 1 648 . 2 2 3 3 LEU HB2 H 1 1.676 . . 1 . 785 . B 86 LEU HB2 . 36021 1 649 . 2 2 3 3 LEU HB3 H 1 1.676 . . 1 . 786 . B 86 LEU HB3 . 36021 1 650 . 2 2 3 3 LEU HG H 1 1.631 0.001 . 1 . 787 . B 86 LEU HG . 36021 1 651 . 2 2 3 3 LEU HD11 H 1 0.923 0.009 . 2 . 788 . B 86 LEU HD11 . 36021 1 652 . 2 2 3 3 LEU HD12 H 1 0.923 0.009 . 2 . 788 . B 86 LEU HD12 . 36021 1 653 . 2 2 3 3 LEU HD13 H 1 0.923 0.009 . 2 . 788 . B 86 LEU HD13 . 36021 1 654 . 2 2 3 3 LEU HD21 H 1 0.888 0.032 . 2 . 784 . B 86 LEU HD21 . 36021 1 655 . 2 2 3 3 LEU HD22 H 1 0.888 0.032 . 2 . 784 . B 86 LEU HD22 . 36021 1 656 . 2 2 3 3 LEU HD23 H 1 0.888 0.032 . 2 . 784 . B 86 LEU HD23 . 36021 1 657 . 2 2 3 3 LEU C C 13 178.128 . . 1 . 245 . B 86 LEU C . 36021 1 658 . 2 2 3 3 LEU CA C 13 55.473 . . 1 . 173 . B 86 LEU CA . 36021 1 659 . 2 2 3 3 LEU CB C 13 42.241 0.001 . 1 . 172 . B 86 LEU CB . 36021 1 660 . 2 2 3 3 LEU CG C 13 27.083 0.013 . 1 . 782 . B 86 LEU CG . 36021 1 661 . 2 2 3 3 LEU CD1 C 13 24.678 0.052 . 2 . 789 . B 86 LEU CD1 . 36021 1 662 . 2 2 3 3 LEU CD2 C 13 23.496 0.004 . 2 . 781 . B 86 LEU CD2 . 36021 1 663 . 2 2 3 3 LEU N N 15 122.563 0.054 . 1 . 1030 . B 86 LEU N . 36021 1 664 . 2 2 4 4 GLY H H 1 8.464 0.011 . 1 . 994 . B 87 GLY H . 36021 1 665 . 2 2 4 4 GLY HA2 H 1 3.985 . . 1 . 246 . B 87 GLY HA2 . 36021 1 666 . 2 2 4 4 GLY HA3 H 1 3.985 . . 1 . 247 . B 87 GLY HA3 . 36021 1 667 . 2 2 4 4 GLY C C 13 176.381 . . 1 . 6 . B 87 GLY C . 36021 1 668 . 2 2 4 4 GLY CA C 13 45.311 . . 1 . 248 . B 87 GLY CA . 36021 1 669 . 2 2 4 4 GLY N N 15 109.845 0.025 . 1 . 993 . B 87 GLY N . 36021 1 670 . 2 2 5 5 SER H H 1 8.206 0.017 . 1 . 228 . B 88 SER H . 36021 1 671 . 2 2 5 5 SER HA H 1 4.424 0.006 . 1 . 517 . B 88 SER HA . 36021 1 672 . 2 2 5 5 SER HB2 H 1 3.864 0.001 . 1 . 519 . B 88 SER HB2 . 36021 1 673 . 2 2 5 5 SER HB3 H 1 3.864 0.001 . 1 . 516 . B 88 SER HB3 . 36021 1 674 . 2 2 5 5 SER C C 13 174.736 . . 1 . 244 . B 88 SER C . 36021 1 675 . 2 2 5 5 SER CA C 13 58.462 0.042 . 1 . 233 . B 88 SER CA . 36021 1 676 . 2 2 5 5 SER CB C 13 63.838 0.024 . 1 . 234 . B 88 SER CB . 36021 1 677 . 2 2 5 5 SER N N 15 116.053 0.049 . 1 . 229 . B 88 SER N . 36021 1 678 . 2 2 6 6 ARG H H 1 8.386 0.004 . 1 . 925 . B 89 ARG H . 36021 1 679 . 2 2 6 6 ARG HA H 1 4.341 . . 1 . 1110 . B 89 ARG HA . 36021 1 680 . 2 2 6 6 ARG HB2 H 1 1.633 . . 2 . 1112 . B 89 ARG HB2 . 36021 1 681 . 2 2 6 6 ARG HB3 H 1 1.762 . . 2 . 1111 . B 89 ARG HB3 . 36021 1 682 . 2 2 6 6 ARG CA C 13 56.140 . . 1 . 235 . B 89 ARG CA . 36021 1 683 . 2 2 6 6 ARG CB C 13 30.635 . . 1 . 211 . B 89 ARG CB . 36021 1 684 . 2 2 6 6 ARG N N 15 123.080 0.051 . 1 . 924 . B 89 ARG N . 36021 1 685 . 2 2 7 7 ARG H H 1 8.288 0.006 . 1 . 893 . B 90 ARG H . 36021 1 686 . 2 2 7 7 ARG HB2 H 1 1.658 . . 1 . 305 . B 90 ARG HB2 . 36021 1 687 . 2 2 7 7 ARG C C 13 175.828 . . 1 . 30 . B 90 ARG C . 36021 1 688 . 2 2 7 7 ARG CA C 13 56.189 . . 1 . 120 . B 90 ARG CA . 36021 1 689 . 2 2 7 7 ARG CB C 13 30.710 . . 1 . 119 . B 90 ARG CB . 36021 1 690 . 2 2 7 7 ARG N N 15 122.067 0.089 . 1 . 892 . B 90 ARG N . 36021 1 691 . 2 2 8 8 PHE H H 1 8.311 0.003 . 1 . 1024 . B 91 PHE H . 36021 1 692 . 2 2 8 8 PHE HA H 1 4.672 . . 1 . 633 . B 91 PHE HA . 36021 1 693 . 2 2 8 8 PHE HB2 H 1 3.127 . . 2 . 631 . B 91 PHE HB2 . 36021 1 694 . 2 2 8 8 PHE HB3 H 1 3.014 . . 2 . 632 . B 91 PHE HB3 . 36021 1 695 . 2 2 8 8 PHE HD1 H 1 7.228 . . 3 . 1167 . B 91 PHE HD1 . 36021 1 696 . 2 2 8 8 PHE HD2 H 1 7.228 . . 3 . 1167 . B 91 PHE HD2 . 36021 1 697 . 2 2 8 8 PHE C C 13 175.366 . . 1 . 242 . B 91 PHE C . 36021 1 698 . 2 2 8 8 PHE CA C 13 57.430 . . 1 . 122 . B 91 PHE CA . 36021 1 699 . 2 2 8 8 PHE CB C 13 39.673 0.02 . 1 . 121 . B 91 PHE CB . 36021 1 700 . 2 2 8 8 PHE N N 15 121.414 0.058 . 1 . 1023 . B 91 PHE N . 36021 1 701 . 2 2 9 9 VAL H H 1 8.107 0.009 . 1 . 934 . B 92 VAL H . 36021 1 702 . 2 2 9 9 VAL HA H 1 4.075 0.002 . 1 . 301 . B 92 VAL HA . 36021 1 703 . 2 2 9 9 VAL HB H 1 2.011 0.01 . 1 . 302 . B 92 VAL HB . 36021 1 704 . 2 2 9 9 VAL HG11 H 1 0.899 0.002 . 2 . 630 . B 92 VAL HG11 . 36021 1 705 . 2 2 9 9 VAL HG12 H 1 0.899 0.002 . 2 . 630 . B 92 VAL HG12 . 36021 1 706 . 2 2 9 9 VAL HG13 H 1 0.899 0.002 . 2 . 630 . B 92 VAL HG13 . 36021 1 707 . 2 2 9 9 VAL HG21 H 1 0.896 0.003 . 2 . 629 . B 92 VAL HG21 . 36021 1 708 . 2 2 9 9 VAL HG22 H 1 0.896 0.003 . 2 . 629 . B 92 VAL HG22 . 36021 1 709 . 2 2 9 9 VAL HG23 H 1 0.896 0.003 . 2 . 629 . B 92 VAL HG23 . 36021 1 710 . 2 2 9 9 VAL C C 13 175.916 . . 1 . 243 . B 92 VAL C . 36021 1 711 . 2 2 9 9 VAL CA C 13 62.296 0.026 . 1 . 237 . B 92 VAL CA . 36021 1 712 . 2 2 9 9 VAL CB C 13 32.978 0.089 . 1 . 236 . B 92 VAL CB . 36021 1 713 . 2 2 9 9 VAL CG2 C 13 20.951 0.058 . 1 . 628 . B 92 VAL CG2 . 36021 1 714 . 2 2 9 9 VAL N N 15 122.566 0.06 . 1 . 933 . B 92 VAL N . 36021 1 715 . 2 2 10 10 VAL H H 1 8.225 0.009 . 1 . 1002 . B 93 VAL H . 36021 1 716 . 2 2 10 10 VAL HA H 1 3.996 0.006 . 1 . 300 . B 93 VAL HA . 36021 1 717 . 2 2 10 10 VAL HB H 1 2.035 0.004 . 1 . 625 . B 93 VAL HB . 36021 1 718 . 2 2 10 10 VAL HG11 H 1 0.946 0.003 . 2 . 626 . B 93 VAL HG11 . 36021 1 719 . 2 2 10 10 VAL HG12 H 1 0.946 0.003 . 2 . 626 . B 93 VAL HG12 . 36021 1 720 . 2 2 10 10 VAL HG13 H 1 0.946 0.003 . 2 . 626 . B 93 VAL HG13 . 36021 1 721 . 2 2 10 10 VAL HG21 H 1 0.939 0.008 . 2 . 627 . B 93 VAL HG21 . 36021 1 722 . 2 2 10 10 VAL HG22 H 1 0.939 0.008 . 2 . 627 . B 93 VAL HG22 . 36021 1 723 . 2 2 10 10 VAL HG23 H 1 0.939 0.008 . 2 . 627 . B 93 VAL HG23 . 36021 1 724 . 2 2 10 10 VAL C C 13 175.773 . . 1 . 47 . B 93 VAL C . 36021 1 725 . 2 2 10 10 VAL CA C 13 62.681 0.049 . 1 . 149 . B 93 VAL CA . 36021 1 726 . 2 2 10 10 VAL CB C 13 32.614 0.062 . 1 . 148 . B 93 VAL CB . 36021 1 727 . 2 2 10 10 VAL CG1 C 13 21.011 0.066 . 1 . 642 . B 93 VAL CG1 . 36021 1 728 . 2 2 10 10 VAL N N 15 123.840 0.038 . 1 . 1001 . B 93 VAL N . 36021 1 729 . 2 2 11 11 ASP H H 1 8.338 0.011 . 1 . 967 . B 94 ASP H . 36021 1 730 . 2 2 11 11 ASP HA H 1 4.565 0.028 . 1 . 513 . B 94 ASP HA . 36021 1 731 . 2 2 11 11 ASP HB2 H 1 2.615 0.007 . 2 . 514 . B 94 ASP HB2 . 36021 1 732 . 2 2 11 11 ASP HB3 H 1 2.703 0.006 . 2 . 515 . B 94 ASP HB3 . 36021 1 733 . 2 2 11 11 ASP C C 13 176.054 . . 1 . 65 . B 94 ASP C . 36021 1 734 . 2 2 11 11 ASP CA C 13 54.399 0.033 . 1 . 151 . B 94 ASP CA . 36021 1 735 . 2 2 11 11 ASP CB C 13 41.260 0.03 . 1 . 150 . B 94 ASP CB . 36021 1 736 . 2 2 11 11 ASP N N 15 123.864 0.027 . 1 . 966 . B 94 ASP N . 36021 1 737 . 2 2 12 12 ASP H H 1 8.263 0.013 . 1 . 910 . B 95 ASP H . 36021 1 738 . 2 2 12 12 ASP HA H 1 4.531 0.003 . 1 . 299 . B 95 ASP HA . 36021 1 739 . 2 2 12 12 ASP HB2 H 1 2.813 . . 2 . 1066 . B 95 ASP HB2 . 36021 1 740 . 2 2 12 12 ASP HB3 H 1 2.712 0.008 . 2 . 512 . B 95 ASP HB3 . 36021 1 741 . 2 2 12 12 ASP C C 13 177.313 . . 1 . 56 . B 95 ASP C . 36021 1 742 . 2 2 12 12 ASP CA C 13 54.771 0.073 . 1 . 163 . B 95 ASP CA . 36021 1 743 . 2 2 12 12 ASP CB C 13 41.213 0.038 . 1 . 162 . B 95 ASP CB . 36021 1 744 . 2 2 12 12 ASP N N 15 121.908 0.106 . 1 . 909 . B 95 ASP N . 36021 1 745 . 2 2 13 13 ARG H H 1 8.416 0.014 . 1 . 974 . B 96 ARG H . 36021 1 746 . 2 2 13 13 ARG HA H 1 4.058 . . 1 . 298 . B 96 ARG HA . 36021 1 747 . 2 2 13 13 ARG HB2 H 1 1.810 0.008 . 1 . 297 . B 96 ARG HB2 . 36021 1 748 . 2 2 13 13 ARG C C 13 178.024 . . 1 . 239 . B 96 ARG C . 36021 1 749 . 2 2 13 13 ARG CA C 13 58.255 . . 1 . 241 . B 96 ARG CA . 36021 1 750 . 2 2 13 13 ARG CB C 13 29.699 0.063 . 1 . 240 . B 96 ARG CB . 36021 1 751 . 2 2 13 13 ARG N N 15 122.084 0.042 . 1 . 973 . B 96 ARG N . 36021 1 752 . 2 2 14 14 ARG H H 1 8.268 0.003 . 1 . 936 . B 97 ARG H . 36021 1 753 . 2 2 14 14 ARG HA H 1 4.012 0.01 . 1 . 295 . B 97 ARG HA . 36021 1 754 . 2 2 14 14 ARG HB2 H 1 1.844 0.016 . 2 . 1077 . B 97 ARG HB2 . 36021 1 755 . 2 2 14 14 ARG HB3 H 1 1.853 0.004 . 2 . 296 . B 97 ARG HB3 . 36021 1 756 . 2 2 14 14 ARG HD2 H 1 3.187 0.006 . 2 . 1079 . B 97 ARG HD2 . 36021 1 757 . 2 2 14 14 ARG HD3 H 1 3.045 . . 2 . 1078 . B 97 ARG HD3 . 36021 1 758 . 2 2 14 14 ARG C C 13 178.560 . . 1 . 32 . B 97 ARG C . 36021 1 759 . 2 2 14 14 ARG CA C 13 58.660 . . 1 . 238 . B 97 ARG CA . 36021 1 760 . 2 2 14 14 ARG CB C 13 29.620 0.044 . 1 . 165 . B 97 ARG CB . 36021 1 761 . 2 2 14 14 ARG CD C 13 43.297 . . 1 . 1125 . B 97 ARG CD . 36021 1 762 . 2 2 14 14 ARG N N 15 119.879 0.058 . 1 . 935 . B 97 ARG N . 36021 1 763 . 2 2 15 15 GLU H H 1 8.047 0.015 . 1 . 843 . B 98 GLU H . 36021 1 764 . 2 2 15 15 GLU HA H 1 4.195 0.012 . 1 . 560 . B 98 GLU HA . 36021 1 765 . 2 2 15 15 GLU HB2 H 1 2.095 0.009 . 2 . 559 . B 98 GLU HB2 . 36021 1 766 . 2 2 15 15 GLU HB3 H 1 2.098 0.007 . 2 . 562 . B 98 GLU HB3 . 36021 1 767 . 2 2 15 15 GLU HG2 H 1 2.331 0.006 . 2 . 558 . B 98 GLU HG2 . 36021 1 768 . 2 2 15 15 GLU HG3 H 1 2.335 0.006 . 2 . 561 . B 98 GLU HG3 . 36021 1 769 . 2 2 15 15 GLU C C 13 178.632 . . 1 . 8 . B 98 GLU C . 36021 1 770 . 2 2 15 15 GLU CB C 13 29.388 0.057 . 1 . 460 . B 98 GLU CB . 36021 1 771 . 2 2 15 15 GLU CG C 13 36.068 0.053 . 1 . 557 . B 98 GLU CG . 36021 1 772 . 2 2 15 15 GLU N N 15 120.479 0.033 . 1 . 842 . B 98 GLU N . 36021 1 773 . 2 2 16 16 LEU H H 1 7.978 0.004 . 1 . 1007 . B 99 LEU H . 36021 1 774 . 2 2 16 16 LEU HA H 1 4.103 0.015 . 1 . 754 . B 99 LEU HA . 36021 1 775 . 2 2 16 16 LEU HB2 H 1 1.685 0.004 . 2 . 757 . B 99 LEU HB2 . 36021 1 776 . 2 2 16 16 LEU HB3 H 1 1.686 0.018 . 2 . 756 . B 99 LEU HB3 . 36021 1 777 . 2 2 16 16 LEU HG H 1 1.683 0.026 . 1 . 779 . B 99 LEU HG . 36021 1 778 . 2 2 16 16 LEU HD11 H 1 0.871 0.014 . 2 . 758 . B 99 LEU HD11 . 36021 1 779 . 2 2 16 16 LEU HD12 H 1 0.871 0.014 . 2 . 758 . B 99 LEU HD12 . 36021 1 780 . 2 2 16 16 LEU HD13 H 1 0.871 0.014 . 2 . 758 . B 99 LEU HD13 . 36021 1 781 . 2 2 16 16 LEU HD21 H 1 0.857 0.014 . 2 . 761 . B 99 LEU HD21 . 36021 1 782 . 2 2 16 16 LEU HD22 H 1 0.857 0.014 . 2 . 761 . B 99 LEU HD22 . 36021 1 783 . 2 2 16 16 LEU HD23 H 1 0.857 0.014 . 2 . 761 . B 99 LEU HD23 . 36021 1 784 . 2 2 16 16 LEU C C 13 179.660 . . 1 . 23 . B 99 LEU C . 36021 1 785 . 2 2 16 16 LEU CA C 13 58.002 0.04 . 1 . 459 . B 99 LEU CA . 36021 1 786 . 2 2 16 16 LEU CB C 13 41.674 0.089 . 1 . 461 . B 99 LEU CB . 36021 1 787 . 2 2 16 16 LEU CG C 13 27.322 0.223 . 1 . 780 . B 99 LEU CG . 36021 1 788 . 2 2 16 16 LEU CD1 C 13 24.670 0.062 . 2 . 759 . B 99 LEU CD1 . 36021 1 789 . 2 2 16 16 LEU CD2 C 13 23.817 0.04 . 2 . 760 . B 99 LEU CD2 . 36021 1 790 . 2 2 16 16 LEU N N 15 120.496 0.08 . 1 . 1006 . B 99 LEU N . 36021 1 791 . 2 2 17 17 GLN H H 1 8.086 0.01 . 1 . 1039 . B 100 GLN H . 36021 1 792 . 2 2 17 17 GLN HA H 1 4.017 0.006 . 1 . 484 . B 100 GLN HA . 36021 1 793 . 2 2 17 17 GLN HB2 H 1 2.055 0.01 . 2 . 555 . B 100 GLN HB2 . 36021 1 794 . 2 2 17 17 GLN HB3 H 1 2.309 0.004 . 2 . 556 . B 100 GLN HB3 . 36021 1 795 . 2 2 17 17 GLN HG2 H 1 2.308 0.002 . 2 . 552 . B 100 GLN HG2 . 36021 1 796 . 2 2 17 17 GLN HG3 H 1 2.171 0.006 . 2 . 554 . B 100 GLN HG3 . 36021 1 797 . 2 2 17 17 GLN HE21 H 1 7.466 0.002 . 1 . 1132 . B 100 GLN HE21 . 36021 1 798 . 2 2 17 17 GLN HE22 H 1 6.437 0.002 . 1 . 1131 . B 100 GLN HE22 . 36021 1 799 . 2 2 17 17 GLN C C 13 177.664 . . 1 . 46 . B 100 GLN C . 36021 1 800 . 2 2 17 17 GLN CA C 13 59.107 0.022 . 1 . 145 . B 100 GLN CA . 36021 1 801 . 2 2 17 17 GLN CB C 13 27.877 0.048 . 1 . 144 . B 100 GLN CB . 36021 1 802 . 2 2 17 17 GLN CG C 13 33.351 0.029 . 1 . 553 . B 100 GLN CG . 36021 1 803 . 2 2 17 17 GLN N N 15 118.162 0.045 . 1 . 1038 . B 100 GLN N . 36021 1 804 . 2 2 17 17 GLN NE2 N 15 109.356 0.032 . 1 . 1150 . B 100 GLN NE2 . 36021 1 805 . 2 2 18 18 TYR H H 1 7.992 0.004 . 1 . 840 . B 101 TYR H . 36021 1 806 . 2 2 18 18 TYR HA H 1 4.430 0.008 . 1 . 294 . B 101 TYR HA . 36021 1 807 . 2 2 18 18 TYR HB2 H 1 3.183 0.011 . 2 . 293 . B 101 TYR HB2 . 36021 1 808 . 2 2 18 18 TYR HB3 H 1 3.185 0.011 . 2 . 521 . B 101 TYR HB3 . 36021 1 809 . 2 2 18 18 TYR HD1 H 1 7.164 0.001 . 3 . 1153 . B 101 TYR HD1 . 36021 1 810 . 2 2 18 18 TYR HD2 H 1 7.164 0.001 . 3 . 1153 . B 101 TYR HD2 . 36021 1 811 . 2 2 18 18 TYR C C 13 177.509 . . 1 . 38 . B 101 TYR C . 36021 1 812 . 2 2 18 18 TYR CA C 13 60.573 0.091 . 1 . 134 . B 101 TYR CA . 36021 1 813 . 2 2 18 18 TYR CB C 13 38.040 0.083 . 1 . 146 . B 101 TYR CB . 36021 1 814 . 2 2 18 18 TYR N N 15 119.186 0.057 . 1 . 839 . B 101 TYR N . 36021 1 815 . 2 2 19 19 ARG H H 1 8.236 0.008 . 1 . 948 . B 102 ARG H . 36021 1 816 . 2 2 19 19 ARG HA H 1 3.862 0.01 . 1 . 755 . B 102 ARG HA . 36021 1 817 . 2 2 19 19 ARG HB2 H 1 2.082 0.003 . 1 . 1106 . B 102 ARG HB2 . 36021 1 818 . 2 2 19 19 ARG HG2 H 1 1.951 0.009 . 2 . 1105 . B 102 ARG HG2 . 36021 1 819 . 2 2 19 19 ARG HG3 H 1 1.720 0.0 . 2 . 1103 . B 102 ARG HG3 . 36021 1 820 . 2 2 19 19 ARG HD2 H 1 3.171 0.002 . 1 . 1107 . B 102 ARG HD2 . 36021 1 821 . 2 2 19 19 ARG C C 13 179.005 . . 1 . 72 . B 102 ARG C . 36021 1 822 . 2 2 19 19 ARG CA C 13 59.598 . . 1 . 458 . B 102 ARG CA . 36021 1 823 . 2 2 19 19 ARG CB C 13 30.162 0.001 . 1 . 135 . B 102 ARG CB . 36021 1 824 . 2 2 19 19 ARG CG C 13 27.571 0.049 . 1 . 1104 . B 102 ARG CG . 36021 1 825 . 2 2 19 19 ARG N N 15 118.193 0.043 . 1 . 947 . B 102 ARG N . 36021 1 826 . 2 2 20 20 VAL H H 1 8.084 0.01 . 1 . 866 . B 103 VAL H . 36021 1 827 . 2 2 20 20 VAL HA H 1 3.848 0.004 . 1 . 291 . B 103 VAL HA . 36021 1 828 . 2 2 20 20 VAL HB H 1 2.213 0.011 . 1 . 292 . B 103 VAL HB . 36021 1 829 . 2 2 20 20 VAL HG11 H 1 1.001 0.005 . 2 . 463 . B 103 VAL HG11 . 36021 1 830 . 2 2 20 20 VAL HG12 H 1 1.001 0.005 . 2 . 463 . B 103 VAL HG12 . 36021 1 831 . 2 2 20 20 VAL HG13 H 1 1.001 0.005 . 2 . 463 . B 103 VAL HG13 . 36021 1 832 . 2 2 20 20 VAL HG21 H 1 1.170 0.009 . 2 . 465 . B 103 VAL HG21 . 36021 1 833 . 2 2 20 20 VAL HG22 H 1 1.170 0.009 . 2 . 465 . B 103 VAL HG22 . 36021 1 834 . 2 2 20 20 VAL HG23 H 1 1.170 0.009 . 2 . 465 . B 103 VAL HG23 . 36021 1 835 . 2 2 20 20 VAL C C 13 178.190 . . 1 . 54 . B 103 VAL C . 36021 1 836 . 2 2 20 20 VAL CA C 13 65.891 0.1 . 1 . 157 . B 103 VAL CA . 36021 1 837 . 2 2 20 20 VAL CB C 13 31.837 0.013 . 1 . 462 . B 103 VAL CB . 36021 1 838 . 2 2 20 20 VAL CG1 C 13 22.394 0.051 . 2 . 457 . B 103 VAL CG1 . 36021 1 839 . 2 2 20 20 VAL CG2 C 13 23.034 0.014 . 2 . 464 . B 103 VAL CG2 . 36021 1 840 . 2 2 20 20 VAL N N 15 118.192 0.048 . 1 . 865 . B 103 VAL N . 36021 1 841 . 2 2 21 21 GLU H H 1 7.982 0.011 . 1 . 872 . B 104 GLU H . 36021 1 842 . 2 2 21 21 GLU HA H 1 3.952 0.007 . 1 . 606 . B 104 GLU HA . 36021 1 843 . 2 2 21 21 GLU HB2 H 1 2.124 . . 2 . 1171 . B 104 GLU HB2 . 36021 1 844 . 2 2 21 21 GLU HB3 H 1 2.239 0.008 . 2 . 611 . B 104 GLU HB3 . 36021 1 845 . 2 2 21 21 GLU HG2 H 1 2.251 0.003 . 2 . 608 . B 104 GLU HG2 . 36021 1 846 . 2 2 21 21 GLU HG3 H 1 2.463 0.009 . 2 . 607 . B 104 GLU HG3 . 36021 1 847 . 2 2 21 21 GLU C C 13 176.547 . . 1 . 41 . B 104 GLU C . 36021 1 848 . 2 2 21 21 GLU CA C 13 60.149 0.117 . 1 . 158 . B 104 GLU CA . 36021 1 849 . 2 2 21 21 GLU CB C 13 29.346 0.023 . 1 . 610 . B 104 GLU CB . 36021 1 850 . 2 2 21 21 GLU CG C 13 36.797 0.055 . 1 . 609 . B 104 GLU CG . 36021 1 851 . 2 2 21 21 GLU N N 15 123.146 0.05 . 1 . 871 . B 104 GLU N . 36021 1 852 . 2 2 22 22 VAL H H 1 8.110 0.007 . 1 . 1099 . B 105 VAL H . 36021 1 853 . 2 2 22 22 VAL HA H 1 3.446 0.007 . 1 . 289 . B 105 VAL HA . 36021 1 854 . 2 2 22 22 VAL HB H 1 1.926 0.01 . 1 . 290 . B 105 VAL HB . 36021 1 855 . 2 2 22 22 VAL HG11 H 1 0.818 0.006 . 2 . 641 . B 105 VAL HG11 . 36021 1 856 . 2 2 22 22 VAL HG12 H 1 0.818 0.006 . 2 . 641 . B 105 VAL HG12 . 36021 1 857 . 2 2 22 22 VAL HG13 H 1 0.818 0.006 . 2 . 641 . B 105 VAL HG13 . 36021 1 858 . 2 2 22 22 VAL HG21 H 1 0.675 0.004 . 2 . 640 . B 105 VAL HG21 . 36021 1 859 . 2 2 22 22 VAL HG22 H 1 0.675 0.004 . 2 . 640 . B 105 VAL HG22 . 36021 1 860 . 2 2 22 22 VAL HG23 H 1 0.675 0.004 . 2 . 640 . B 105 VAL HG23 . 36021 1 861 . 2 2 22 22 VAL C C 13 178.413 . . 1 . 19 . B 105 VAL C . 36021 1 862 . 2 2 22 22 VAL CA C 13 66.753 0.066 . 1 . 102 . B 105 VAL CA . 36021 1 863 . 2 2 22 22 VAL CB C 13 31.845 0.211 . 1 . 639 . B 105 VAL CB . 36021 1 864 . 2 2 22 22 VAL CG1 C 13 21.111 0.029 . 2 . 623 . B 105 VAL CG1 . 36021 1 865 . 2 2 22 22 VAL CG2 C 13 22.714 0.029 . 2 . 624 . B 105 VAL CG2 . 36021 1 866 . 2 2 22 22 VAL N N 15 120.600 0.051 . 1 . 1098 . B 105 VAL N . 36021 1 867 . 2 2 23 23 GLN H H 1 7.994 0.005 . 1 . 1013 . B 106 GLN H . 36021 1 868 . 2 2 23 23 GLN HA H 1 3.617 0.008 . 1 . 288 . B 106 GLN HA . 36021 1 869 . 2 2 23 23 GLN HB2 H 1 1.746 0.01 . 2 . 415 . B 106 GLN HB2 . 36021 1 870 . 2 2 23 23 GLN HB3 H 1 1.988 0.009 . 2 . 387 . B 106 GLN HB3 . 36021 1 871 . 2 2 23 23 GLN HG2 H 1 1.930 0.01 . 2 . 388 . B 106 GLN HG2 . 36021 1 872 . 2 2 23 23 GLN HG3 H 1 2.005 0.01 . 2 . 417 . B 106 GLN HG3 . 36021 1 873 . 2 2 23 23 GLN HE21 H 1 6.958 0.008 . 1 . 1128 . B 106 GLN HE21 . 36021 1 874 . 2 2 23 23 GLN HE22 H 1 6.103 0.001 . 1 . 1126 . B 106 GLN HE22 . 36021 1 875 . 2 2 23 23 GLN C C 13 176.672 . . 1 . 60 . B 106 GLN C . 36021 1 876 . 2 2 23 23 GLN CA C 13 58.111 0.071 . 1 . 169 . B 106 GLN CA . 36021 1 877 . 2 2 23 23 GLN CB C 13 28.722 0.126 . 1 . 170 . B 106 GLN CB . 36021 1 878 . 2 2 23 23 GLN CG C 13 33.850 0.035 . 1 . 416 . B 106 GLN CG . 36021 1 879 . 2 2 23 23 GLN N N 15 118.256 0.076 . 1 . 1012 . B 106 GLN N . 36021 1 880 . 2 2 23 23 GLN NE2 N 15 112.473 0.026 . 1 . 1165 . B 106 GLN NE2 . 36021 1 881 . 2 2 24 24 ASN H H 1 8.021 0.01 . 1 . 885 . B 107 ASN H . 36021 1 882 . 2 2 24 24 ASN HA H 1 4.420 0.005 . 1 . 286 . B 107 ASN HA . 36021 1 883 . 2 2 24 24 ASN HB2 H 1 2.831 0.005 . 2 . 418 . B 107 ASN HB2 . 36021 1 884 . 2 2 24 24 ASN HB3 H 1 3.274 0.011 . 2 . 287 . B 107 ASN HB3 . 36021 1 885 . 2 2 24 24 ASN C C 13 176.777 . . 1 . 73 . B 107 ASN C . 36021 1 886 . 2 2 24 24 ASN CA C 13 58.379 0.081 . 1 . 194 . B 107 ASN CA . 36021 1 887 . 2 2 24 24 ASN CB C 13 41.100 0.055 . 1 . 193 . B 107 ASN CB . 36021 1 888 . 2 2 24 24 ASN N N 15 118.170 0.049 . 1 . 884 . B 107 ASN N . 36021 1 889 . 2 2 25 25 ARG H H 1 7.543 0.006 . 1 . 945 . B 108 ARG H . 36021 1 890 . 2 2 25 25 ARG HA H 1 3.977 0.011 . 1 . 285 . B 108 ARG HA . 36021 1 891 . 2 2 25 25 ARG HB2 H 1 2.074 0.014 . 2 . 468 . B 108 ARG HB2 . 36021 1 892 . 2 2 25 25 ARG HB3 H 1 1.946 0.009 . 2 . 467 . B 108 ARG HB3 . 36021 1 893 . 2 2 25 25 ARG HG2 H 1 1.935 0.002 . 2 . 470 . B 108 ARG HG2 . 36021 1 894 . 2 2 25 25 ARG HG3 H 1 1.680 0.009 . 2 . 471 . B 108 ARG HG3 . 36021 1 895 . 2 2 25 25 ARG C C 13 179.905 . . 1 . 45 . B 108 ARG C . 36021 1 896 . 2 2 25 25 ARG CA C 13 59.823 0.091 . 1 . 195 . B 108 ARG CA . 36021 1 897 . 2 2 25 25 ARG CB C 13 30.250 0.088 . 1 . 466 . B 108 ARG CB . 36021 1 898 . 2 2 25 25 ARG CG C 13 28.142 0.088 . 1 . 469 . B 108 ARG CG . 36021 1 899 . 2 2 25 25 ARG CD C 13 43.530 . . 1 . 645 . B 108 ARG CD . 36021 1 900 . 2 2 25 25 ARG N N 15 117.197 0.029 . 1 . 944 . B 108 ARG N . 36021 1 901 . 2 2 26 26 VAL H H 1 8.213 0.011 . 1 . 815 . B 109 VAL H . 36021 1 902 . 2 2 26 26 VAL HA H 1 3.593 0.005 . 1 . 284 . B 109 VAL HA . 36021 1 903 . 2 2 26 26 VAL HB H 1 2.011 0.007 . 1 . 419 . B 109 VAL HB . 36021 1 904 . 2 2 26 26 VAL HG11 H 1 0.894 0.01 . 2 . 390 . B 109 VAL HG11 . 36021 1 905 . 2 2 26 26 VAL HG12 H 1 0.894 0.01 . 2 . 390 . B 109 VAL HG12 . 36021 1 906 . 2 2 26 26 VAL HG13 H 1 0.894 0.01 . 2 . 390 . B 109 VAL HG13 . 36021 1 907 . 2 2 26 26 VAL HG21 H 1 0.983 0.013 . 2 . 391 . B 109 VAL HG21 . 36021 1 908 . 2 2 26 26 VAL HG22 H 1 0.983 0.013 . 2 . 391 . B 109 VAL HG22 . 36021 1 909 . 2 2 26 26 VAL HG23 H 1 0.983 0.013 . 2 . 391 . B 109 VAL HG23 . 36021 1 910 . 2 2 26 26 VAL C C 13 179.597 . . 1 . 16 . B 109 VAL C . 36021 1 911 . 2 2 26 26 VAL CA C 13 66.857 0.057 . 1 . 98 . B 109 VAL CA . 36021 1 912 . 2 2 26 26 VAL CB C 13 31.718 0.052 . 1 . 420 . B 109 VAL CB . 36021 1 913 . 2 2 26 26 VAL CG1 C 13 21.211 0.047 . 2 . 422 . B 109 VAL CG1 . 36021 1 914 . 2 2 26 26 VAL CG2 C 13 22.794 0.112 . 2 . 421 . B 109 VAL CG2 . 36021 1 915 . 2 2 26 26 VAL N N 15 122.250 0.052 . 1 . 814 . B 109 VAL N . 36021 1 916 . 2 2 27 27 TYR H H 1 8.732 0.003 . 1 . 991 . B 110 TYR H . 36021 1 917 . 2 2 27 27 TYR HA H 1 4.648 0.01 . 1 . 282 . B 110 TYR HA . 36021 1 918 . 2 2 27 27 TYR HB2 H 1 2.997 0.004 . 2 . 1124 . B 110 TYR HB2 . 36021 1 919 . 2 2 27 27 TYR HB3 H 1 3.253 0.007 . 2 . 283 . B 110 TYR HB3 . 36021 1 920 . 2 2 27 27 TYR HD1 H 1 7.010 0.007 . 3 . 1152 . B 110 TYR HD1 . 36021 1 921 . 2 2 27 27 TYR HD2 H 1 7.010 0.007 . 3 . 1152 . B 110 TYR HD2 . 36021 1 922 . 2 2 27 27 TYR HE1 H 1 6.765 0.002 . 3 . 1162 . B 110 TYR HE1 . 36021 1 923 . 2 2 27 27 TYR HE2 H 1 6.765 0.002 . 3 . 1162 . B 110 TYR HE2 . 36021 1 924 . 2 2 27 27 TYR C C 13 178.966 . . 1 . 52 . B 110 TYR C . 36021 1 925 . 2 2 27 27 TYR CA C 13 58.013 0.069 . 1 . 154 . B 110 TYR CA . 36021 1 926 . 2 2 27 27 TYR CB C 13 38.189 0.05 . 1 . 155 . B 110 TYR CB . 36021 1 927 . 2 2 27 27 TYR N N 15 119.478 0.036 . 1 . 990 . B 110 TYR N . 36021 1 928 . 2 2 28 28 LYS H H 1 8.170 0.013 . 1 . 919 . B 111 LYS H . 36021 1 929 . 2 2 28 28 LYS HA H 1 3.983 0.01 . 1 . 1100 . B 111 LYS HA . 36021 1 930 . 2 2 28 28 LYS HB3 H 1 1.920 0.001 . 1 . 1116 . B 111 LYS HB3 . 36021 1 931 . 2 2 28 28 LYS HE3 H 1 3.187 . . 1 . 1180 . B 111 LYS HE3 . 36021 1 932 . 2 2 28 28 LYS C C 13 179.840 . . 1 . 42 . B 111 LYS C . 36021 1 933 . 2 2 28 28 LYS CA C 13 61.117 0.011 . 1 . 156 . B 111 LYS CA . 36021 1 934 . 2 2 28 28 LYS CB C 13 32.351 0.053 . 1 . 684 . B 111 LYS CB . 36021 1 935 . 2 2 28 28 LYS N N 15 118.188 0.041 . 1 . 918 . B 111 LYS N . 36021 1 936 . 2 2 29 29 LYS H H 1 7.872 0.008 . 1 . 1060 . B 112 LYS H . 36021 1 937 . 2 2 29 29 LYS HA H 1 4.201 0.008 . 1 . 690 . B 112 LYS HA . 36021 1 938 . 2 2 29 29 LYS HB2 H 1 2.023 0.011 . 2 . 685 . B 112 LYS HB2 . 36021 1 939 . 2 2 29 29 LYS HB3 H 1 2.014 0.01 . 2 . 693 . B 112 LYS HB3 . 36021 1 940 . 2 2 29 29 LYS HG2 H 1 1.632 0.009 . 2 . 692 . B 112 LYS HG2 . 36021 1 941 . 2 2 29 29 LYS HG3 H 1 1.509 0.012 . 2 . 691 . B 112 LYS HG3 . 36021 1 942 . 2 2 29 29 LYS HD2 H 1 1.715 0.019 . 2 . 694 . B 112 LYS HD2 . 36021 1 943 . 2 2 29 29 LYS HD3 H 1 1.714 0.019 . 2 . 688 . B 112 LYS HD3 . 36021 1 944 . 2 2 29 29 LYS HE2 H 1 2.985 0.019 . 2 . 687 . B 112 LYS HE2 . 36021 1 945 . 2 2 29 29 LYS HE3 H 1 2.986 0.018 . 2 . 686 . B 112 LYS HE3 . 36021 1 946 . 2 2 29 29 LYS C C 13 179.481 . . 1 . 49 . B 112 LYS C . 36021 1 947 . 2 2 29 29 LYS CA C 13 59.213 0.029 . 1 . 586 . B 112 LYS CA . 36021 1 948 . 2 2 29 29 LYS CB C 13 32.221 0.076 . 1 . 710 . B 112 LYS CB . 36021 1 949 . 2 2 29 29 LYS CG C 13 25.073 0.07 . 1 . 689 . B 112 LYS CG . 36021 1 950 . 2 2 29 29 LYS CD C 13 29.290 0.058 . 1 . 695 . B 112 LYS CD . 36021 1 951 . 2 2 29 29 LYS CE C 13 42.062 0.055 . 1 . 696 . B 112 LYS CE . 36021 1 952 . 2 2 29 29 LYS N N 15 121.167 0.063 . 1 . 1059 . B 112 LYS N . 36021 1 953 . 2 2 30 30 GLU H H 1 8.539 0.006 . 1 . 928 . B 113 GLU H . 36021 1 954 . 2 2 30 30 GLU HA H 1 4.219 0.007 . 1 . 279 . B 113 GLU HA . 36021 1 955 . 2 2 30 30 GLU HB2 H 1 2.185 0.013 . 2 . 280 . B 113 GLU HB2 . 36021 1 956 . 2 2 30 30 GLU HB3 H 1 2.352 0.017 . 2 . 566 . B 113 GLU HB3 . 36021 1 957 . 2 2 30 30 GLU HG2 H 1 2.470 0.004 . 2 . 569 . B 113 GLU HG2 . 36021 1 958 . 2 2 30 30 GLU HG3 H 1 2.339 0.009 . 2 . 567 . B 113 GLU HG3 . 36021 1 959 . 2 2 30 30 GLU C C 13 179.615 . . 1 . 14 . B 113 GLU C . 36021 1 960 . 2 2 30 30 GLU CA C 13 59.571 . . 1 . 95 . B 113 GLU CA . 36021 1 961 . 2 2 30 30 GLU CB C 13 29.366 0.085 . 1 . 565 . B 113 GLU CB . 36021 1 962 . 2 2 30 30 GLU CG C 13 35.857 0.06 . 1 . 568 . B 113 GLU CG . 36021 1 963 . 2 2 30 30 GLU N N 15 123.121 0.035 . 1 . 927 . B 113 GLU N . 36021 1 964 . 2 2 31 31 ILE H H 1 8.543 0.005 . 1 . 824 . B 114 ILE H . 36021 1 965 . 2 2 31 31 ILE HA H 1 3.556 0.008 . 1 . 277 . B 114 ILE HA . 36021 1 966 . 2 2 31 31 ILE HB H 1 1.967 0.009 . 1 . 278 . B 114 ILE HB . 36021 1 967 . 2 2 31 31 ILE HG12 H 1 0.920 0.007 . 2 . 527 . B 114 ILE HG12 . 36021 1 968 . 2 2 31 31 ILE HG13 H 1 1.805 0.008 . 2 . 524 . B 114 ILE HG13 . 36021 1 969 . 2 2 31 31 ILE HG21 H 1 0.903 0.005 . 1 . 389 . B 114 ILE HG21 . 36021 1 970 . 2 2 31 31 ILE HG22 H 1 0.903 0.005 . 1 . 389 . B 114 ILE HG22 . 36021 1 971 . 2 2 31 31 ILE HG23 H 1 0.903 0.005 . 1 . 389 . B 114 ILE HG23 . 36021 1 972 . 2 2 31 31 ILE HD11 H 1 0.929 0.006 . 1 . 522 . B 114 ILE HD11 . 36021 1 973 . 2 2 31 31 ILE HD12 H 1 0.929 0.006 . 1 . 522 . B 114 ILE HD12 . 36021 1 974 . 2 2 31 31 ILE HD13 H 1 0.929 0.006 . 1 . 522 . B 114 ILE HD13 . 36021 1 975 . 2 2 31 31 ILE C C 13 176.940 . . 1 . 44 . B 114 ILE C . 36021 1 976 . 2 2 31 31 ILE CA C 13 65.836 0.076 . 1 . 140 . B 114 ILE CA . 36021 1 977 . 2 2 31 31 ILE CB C 13 37.551 0.07 . 1 . 141 . B 114 ILE CB . 36021 1 978 . 2 2 31 31 ILE CG1 C 13 31.531 0.063 . 1 . 526 . B 114 ILE CG1 . 36021 1 979 . 2 2 31 31 ILE CG2 C 13 17.529 0.03 . 1 . 525 . B 114 ILE CG2 . 36021 1 980 . 2 2 31 31 ILE CD1 C 13 14.899 0.047 . 1 . 523 . B 114 ILE CD1 . 36021 1 981 . 2 2 31 31 ILE N N 15 119.516 0.039 . 1 . 823 . B 114 ILE N . 36021 1 982 . 2 2 32 32 GLN H H 1 7.470 0.005 . 1 . 979 . B 115 GLN H . 36021 1 983 . 2 2 32 32 GLN HA H 1 4.225 0.01 . 1 . 276 . B 115 GLN HA . 36021 1 984 . 2 2 32 32 GLN HB2 H 1 2.200 0.009 . 2 . 436 . B 115 GLN HB2 . 36021 1 985 . 2 2 32 32 GLN HB3 H 1 2.301 0.015 . 2 . 437 . B 115 GLN HB3 . 36021 1 986 . 2 2 32 32 GLN HG2 H 1 2.462 0.005 . 2 . 435 . B 115 GLN HG2 . 36021 1 987 . 2 2 32 32 GLN HG3 H 1 2.624 0.006 . 2 . 434 . B 115 GLN HG3 . 36021 1 988 . 2 2 32 32 GLN HE21 H 1 6.919 0.001 . 1 . 1144 . B 115 GLN HE21 . 36021 1 989 . 2 2 32 32 GLN HE22 H 1 7.510 0.001 . 1 . 1142 . B 115 GLN HE22 . 36021 1 990 . 2 2 32 32 GLN C C 13 179.468 . . 1 . 69 . B 115 GLN C . 36021 1 991 . 2 2 32 32 GLN CA C 13 59.127 0.036 . 1 . 143 . B 115 GLN CA . 36021 1 992 . 2 2 32 32 GLN CB C 13 28.578 0.115 . 1 . 142 . B 115 GLN CB . 36021 1 993 . 2 2 32 32 GLN CG C 13 34.237 0.052 . 1 . 433 . B 115 GLN CG . 36021 1 994 . 2 2 32 32 GLN N N 15 117.641 0.041 . 1 . 978 . B 115 GLN N . 36021 1 995 . 2 2 32 32 GLN NE2 N 15 112.081 0.03 . 1 . 1143 . B 115 GLN NE2 . 36021 1 996 . 2 2 33 33 ALA H H 1 7.774 0.009 . 1 . 961 . B 116 ALA H . 36021 1 997 . 2 2 33 33 ALA HA H 1 4.248 0.004 . 1 . 274 . B 116 ALA HA . 36021 1 998 . 2 2 33 33 ALA HB1 H 1 1.589 0.01 . 1 . 275 . B 116 ALA HB1 . 36021 1 999 . 2 2 33 33 ALA HB2 H 1 1.589 0.01 . 1 . 275 . B 116 ALA HB2 . 36021 1 1000 . 2 2 33 33 ALA HB3 H 1 1.589 0.01 . 1 . 275 . B 116 ALA HB3 . 36021 1 1001 . 2 2 33 33 ALA C C 13 181.355 . . 1 . 68 . B 116 ALA C . 36021 1 1002 . 2 2 33 33 ALA CA C 13 55.182 0.023 . 1 . 187 . B 116 ALA CA . 36021 1 1003 . 2 2 33 33 ALA CB C 13 18.002 0.058 . 1 . 186 . B 116 ALA CB . 36021 1 1004 . 2 2 33 33 ALA N N 15 123.045 0.055 . 1 . 960 . B 116 ALA N . 36021 1 1005 . 2 2 34 34 LEU H H 1 8.771 0.011 . 1 . 890 . B 117 LEU H . 36021 1 1006 . 2 2 34 34 LEU HA H 1 4.162 0.015 . 1 . 273 . B 117 LEU HA . 36021 1 1007 . 2 2 34 34 LEU HB2 H 1 2.009 0.021 . 2 . 791 . B 117 LEU HB2 . 36021 1 1008 . 2 2 34 34 LEU HB3 H 1 1.299 0.014 . 2 . 790 . B 117 LEU HB3 . 36021 1 1009 . 2 2 34 34 LEU HD11 H 1 1.015 0.005 . 2 . 792 . B 117 LEU HD11 . 36021 1 1010 . 2 2 34 34 LEU HD12 H 1 1.015 0.005 . 2 . 792 . B 117 LEU HD12 . 36021 1 1011 . 2 2 34 34 LEU HD13 H 1 1.015 0.005 . 2 . 792 . B 117 LEU HD13 . 36021 1 1012 . 2 2 34 34 LEU HD21 H 1 0.877 0.016 . 2 . 1071 . B 117 LEU HD21 . 36021 1 1013 . 2 2 34 34 LEU HD22 H 1 0.877 0.016 . 2 . 1071 . B 117 LEU HD22 . 36021 1 1014 . 2 2 34 34 LEU HD23 H 1 0.877 0.016 . 2 . 1071 . B 117 LEU HD23 . 36021 1 1015 . 2 2 34 34 LEU C C 13 179.177 . . 1 . 78 . B 117 LEU C . 36021 1 1016 . 2 2 34 34 LEU CA C 13 58.019 0.087 . 1 . 185 . B 117 LEU CA . 36021 1 1017 . 2 2 34 34 LEU CB C 13 42.341 0.072 . 1 . 184 . B 117 LEU CB . 36021 1 1018 . 2 2 34 34 LEU CD1 C 13 28.473 0.051 . 2 . 1070 . B 117 LEU CD1 . 36021 1 1019 . 2 2 34 34 LEU CD2 C 13 23.456 . . 2 . 1072 . B 117 LEU CD2 . 36021 1 1020 . 2 2 34 34 LEU N N 15 122.383 0.055 . 1 . 889 . B 117 LEU N . 36021 1 1021 . 2 2 35 35 ASP H H 1 8.904 0.005 . 1 . 806 . B 118 ASP H . 36021 1 1022 . 2 2 35 35 ASP HA H 1 4.575 0.006 . 1 . 272 . B 118 ASP HA . 36021 1 1023 . 2 2 35 35 ASP HB2 H 1 2.517 0.005 . 2 . 271 . B 118 ASP HB2 . 36021 1 1024 . 2 2 35 35 ASP HB3 H 1 2.766 0.015 . 2 . 270 . B 118 ASP HB3 . 36021 1 1025 . 2 2 35 35 ASP C C 13 179.511 . . 1 . 76 . B 118 ASP C . 36021 1 1026 . 2 2 35 35 ASP CA C 13 57.627 0.053 . 1 . 198 . B 118 ASP CA . 36021 1 1027 . 2 2 35 35 ASP CB C 13 39.642 0.043 . 1 . 472 . B 118 ASP CB . 36021 1 1028 . 2 2 35 35 ASP N N 15 119.531 0.028 . 1 . 805 . B 118 ASP N . 36021 1 1029 . 2 2 36 36 ALA H H 1 7.798 0.008 . 1 . 1051 . B 119 ALA H . 36021 1 1030 . 2 2 36 36 ALA HA H 1 4.151 0.008 . 1 . 269 . B 119 ALA HA . 36021 1 1031 . 2 2 36 36 ALA HB1 H 1 1.581 0.01 . 1 . 268 . B 119 ALA HB1 . 36021 1 1032 . 2 2 36 36 ALA HB2 H 1 1.581 0.01 . 1 . 268 . B 119 ALA HB2 . 36021 1 1033 . 2 2 36 36 ALA HB3 H 1 1.581 0.01 . 1 . 268 . B 119 ALA HB3 . 36021 1 1034 . 2 2 36 36 ALA C C 13 180.361 . . 1 . 70 . B 119 ALA C . 36021 1 1035 . 2 2 36 36 ALA CA C 13 55.130 0.022 . 1 . 197 . B 119 ALA CA . 36021 1 1036 . 2 2 36 36 ALA CB C 13 17.871 0.12 . 1 . 196 . B 119 ALA CB . 36021 1 1037 . 2 2 36 36 ALA N N 15 122.451 0.047 . 1 . 1050 . B 119 ALA N . 36021 1 1038 . 2 2 37 37 GLU H H 1 7.828 0.015 . 1 . 1021 . B 120 GLU H . 36021 1 1039 . 2 2 37 37 GLU HA H 1 4.237 0.016 . 1 . 266 . B 120 GLU HA . 36021 1 1040 . 2 2 37 37 GLU HB2 H 1 2.177 0.01 . 2 . 267 . B 120 GLU HB2 . 36021 1 1041 . 2 2 37 37 GLU HB3 H 1 2.182 0.009 . 2 . 613 . B 120 GLU HB3 . 36021 1 1042 . 2 2 37 37 GLU HG2 H 1 2.400 0.004 . 2 . 614 . B 120 GLU HG2 . 36021 1 1043 . 2 2 37 37 GLU HG3 H 1 2.284 0.011 . 2 . 615 . B 120 GLU HG3 . 36021 1 1044 . 2 2 37 37 GLU C C 13 178.614 . . 1 . 39 . B 120 GLU C . 36021 1 1045 . 2 2 37 37 GLU CA C 13 59.145 . . 1 . 136 . B 120 GLU CA . 36021 1 1046 . 2 2 37 37 GLU CB C 13 29.052 0.203 . 1 . 188 . B 120 GLU CB . 36021 1 1047 . 2 2 37 37 GLU CG C 13 34.736 0.074 . 1 . 612 . B 120 GLU CG . 36021 1 1048 . 2 2 37 37 GLU N N 15 122.436 0.059 . 1 . 1020 . B 120 GLU N . 36021 1 1049 . 2 2 38 38 ILE H H 1 8.686 0.005 . 1 . 982 . B 121 ILE H . 36021 1 1050 . 2 2 38 38 ILE HA H 1 3.399 0.009 . 1 . 413 . B 121 ILE HA . 36021 1 1051 . 2 2 38 38 ILE HB H 1 1.961 0.016 . 1 . 411 . B 121 ILE HB . 36021 1 1052 . 2 2 38 38 ILE HG12 H 1 1.987 0.01 . 2 . 654 . B 121 ILE HG12 . 36021 1 1053 . 2 2 38 38 ILE HG13 H 1 0.685 0.007 . 2 . 652 . B 121 ILE HG13 . 36021 1 1054 . 2 2 38 38 ILE HG21 H 1 0.830 0.005 . 1 . 410 . B 121 ILE HG21 . 36021 1 1055 . 2 2 38 38 ILE HG22 H 1 0.830 0.005 . 1 . 410 . B 121 ILE HG22 . 36021 1 1056 . 2 2 38 38 ILE HG23 H 1 0.830 0.005 . 1 . 410 . B 121 ILE HG23 . 36021 1 1057 . 2 2 38 38 ILE HD11 H 1 1.013 0.004 . 1 . 529 . B 121 ILE HD11 . 36021 1 1058 . 2 2 38 38 ILE HD12 H 1 1.013 0.004 . 1 . 529 . B 121 ILE HD12 . 36021 1 1059 . 2 2 38 38 ILE HD13 H 1 1.013 0.004 . 1 . 529 . B 121 ILE HD13 . 36021 1 1060 . 2 2 38 38 ILE C C 13 177.361 . . 1 . 77 . B 121 ILE C . 36021 1 1061 . 2 2 38 38 ILE CA C 13 66.774 0.044 . 1 . 414 . B 121 ILE CA . 36021 1 1062 . 2 2 38 38 ILE CB C 13 38.179 0.055 . 1 . 412 . B 121 ILE CB . 36021 1 1063 . 2 2 38 38 ILE CG1 C 13 32.314 0.054 . 1 . 653 . B 121 ILE CG1 . 36021 1 1064 . 2 2 38 38 ILE CG2 C 13 17.329 0.03 . 1 . 409 . B 121 ILE CG2 . 36021 1 1065 . 2 2 38 38 ILE CD1 C 13 13.386 0.052 . 1 . 528 . B 121 ILE CD1 . 36021 1 1066 . 2 2 38 38 ILE N N 15 120.481 0.045 . 1 . 981 . B 121 ILE N . 36021 1 1067 . 2 2 39 39 ARG H H 1 7.988 0.005 . 1 . 794 . B 122 ARG H . 36021 1 1068 . 2 2 39 39 ARG HA H 1 4.137 0.005 . 1 . 264 . B 122 ARG HA . 36021 1 1069 . 2 2 39 39 ARG HB2 H 1 1.950 . . 2 . 1120 . B 122 ARG HB2 . 36021 1 1070 . 2 2 39 39 ARG HB3 H 1 1.862 0.009 . 2 . 1119 . B 122 ARG HB3 . 36021 1 1071 . 2 2 39 39 ARG HG3 H 1 1.666 0.003 . 1 . 1108 . B 122 ARG HG3 . 36021 1 1072 . 2 2 39 39 ARG HD2 H 1 3.283 . . 1 . 1115 . B 122 ARG HD2 . 36021 1 1073 . 2 2 39 39 ARG C C 13 179.174 . . 1 . 34 . B 122 ARG C . 36021 1 1074 . 2 2 39 39 ARG CA C 13 59.344 . . 1 . 126 . B 122 ARG CA . 36021 1 1075 . 2 2 39 39 ARG CB C 13 30.264 0.036 . 1 . 127 . B 122 ARG CB . 36021 1 1076 . 2 2 39 39 ARG CG C 13 27.726 0.083 . 1 . 644 . B 122 ARG CG . 36021 1 1077 . 2 2 39 39 ARG CD C 13 43.552 . . 1 . 643 . B 122 ARG CD . 36021 1 1078 . 2 2 39 39 ARG N N 15 117.411 0.045 . 1 . 793 . B 122 ARG N . 36021 1 1079 . 2 2 40 40 LYS H H 1 7.753 0.01 . 1 . 852 . B 123 LYS H . 36021 1 1080 . 2 2 40 40 LYS HA H 1 3.988 0.014 . 1 . 262 . B 123 LYS HA . 36021 1 1081 . 2 2 40 40 LYS HB2 H 1 2.022 0.021 . 2 . 657 . B 123 LYS HB2 . 36021 1 1082 . 2 2 40 40 LYS HB3 H 1 2.003 0.02 . 2 . 263 . B 123 LYS HB3 . 36021 1 1083 . 2 2 40 40 LYS HG2 H 1 1.623 0.013 . 2 . 661 . B 123 LYS HG2 . 36021 1 1084 . 2 2 40 40 LYS HG3 H 1 1.222 0.004 . 2 . 660 . B 123 LYS HG3 . 36021 1 1085 . 2 2 40 40 LYS HD2 H 1 1.715 0.011 . 2 . 662 . B 123 LYS HD2 . 36021 1 1086 . 2 2 40 40 LYS HD3 H 1 1.718 0.013 . 2 . 664 . B 123 LYS HD3 . 36021 1 1087 . 2 2 40 40 LYS HE2 H 1 2.914 0.019 . 2 . 658 . B 123 LYS HE2 . 36021 1 1088 . 2 2 40 40 LYS HE3 H 1 2.905 0.011 . 2 . 655 . B 123 LYS HE3 . 36021 1 1089 . 2 2 40 40 LYS C C 13 179.319 . . 1 . 40 . B 123 LYS C . 36021 1 1090 . 2 2 40 40 LYS CA C 13 59.680 0.085 . 1 . 137 . B 123 LYS CA . 36021 1 1091 . 2 2 40 40 LYS CB C 13 32.510 0.083 . 1 . 138 . B 123 LYS CB . 36021 1 1092 . 2 2 40 40 LYS CG C 13 24.755 0.058 . 1 . 659 . B 123 LYS CG . 36021 1 1093 . 2 2 40 40 LYS CD C 13 29.630 0.167 . 1 . 663 . B 123 LYS CD . 36021 1 1094 . 2 2 40 40 LYS CE C 13 41.946 0.039 . 1 . 656 . B 123 LYS CE . 36021 1 1095 . 2 2 40 40 LYS N N 15 119.908 0.043 . 1 . 850 . B 123 LYS N . 36021 1 1096 . 2 2 41 41 LEU H H 1 8.409 0.007 . 1 . 976 . B 124 LEU H . 36021 1 1097 . 2 2 41 41 LEU HA H 1 4.027 0.013 . 1 . 261 . B 124 LEU HA . 36021 1 1098 . 2 2 41 41 LEU HB2 H 1 2.076 0.016 . 2 . 769 . B 124 LEU HB2 . 36021 1 1099 . 2 2 41 41 LEU HB3 H 1 1.285 0.02 . 2 . 770 . B 124 LEU HB3 . 36021 1 1100 . 2 2 41 41 LEU HG H 1 0.989 0.02 . 1 . 768 . B 124 LEU HG . 36021 1 1101 . 2 2 41 41 LEU HD21 H 1 0.837 0.005 . 1 . 772 . B 124 LEU HD21 . 36021 1 1102 . 2 2 41 41 LEU HD22 H 1 0.837 0.005 . 1 . 772 . B 124 LEU HD22 . 36021 1 1103 . 2 2 41 41 LEU HD23 H 1 0.837 0.005 . 1 . 772 . B 124 LEU HD23 . 36021 1 1104 . 2 2 41 41 LEU C C 13 179.135 . . 1 . 482 . B 124 LEU C . 36021 1 1105 . 2 2 41 41 LEU CA C 13 58.080 . . 1 . 634 . B 124 LEU CA . 36021 1 1106 . 2 2 41 41 LEU CB C 13 42.800 0.234 . 1 . 635 . B 124 LEU CB . 36021 1 1107 . 2 2 41 41 LEU CG C 13 28.170 0.187 . 1 . 767 . B 124 LEU CG . 36021 1 1108 . 2 2 41 41 LEU CD2 C 13 22.809 0.062 . 1 . 771 . B 124 LEU CD2 . 36021 1 1109 . 2 2 41 41 LEU N N 15 120.091 0.052 . 1 . 975 . B 124 LEU N . 36021 1 1110 . 2 2 42 42 GLU H H 1 9.005 0.006 . 1 . 857 . B 125 GLU H . 36021 1 1111 . 2 2 42 42 GLU HA H 1 3.921 0.007 . 1 . 260 . B 125 GLU HA . 36021 1 1112 . 2 2 42 42 GLU HB2 H 1 2.203 0.004 . 2 . 1166 . B 125 GLU HB2 . 36021 1 1113 . 2 2 42 42 GLU HB3 H 1 1.924 0.025 . 2 . 571 . B 125 GLU HB3 . 36021 1 1114 . 2 2 42 42 GLU HG2 H 1 2.109 0.015 . 2 . 572 . B 125 GLU HG2 . 36021 1 1115 . 2 2 42 42 GLU HG3 H 1 2.667 0.004 . 2 . 573 . B 125 GLU HG3 . 36021 1 1116 . 2 2 42 42 GLU C C 13 180.136 . . 1 . 63 . B 125 GLU C . 36021 1 1117 . 2 2 42 42 GLU CA C 13 60.304 0.05 . 1 . 177 . B 125 GLU CA . 36021 1 1118 . 2 2 42 42 GLU CB C 13 29.524 0.066 . 1 . 570 . B 125 GLU CB . 36021 1 1119 . 2 2 42 42 GLU CG C 13 38.254 0.115 . 1 . 574 . B 125 GLU CG . 36021 1 1120 . 2 2 42 42 GLU N N 15 118.030 0.045 . 1 . 856 . B 125 GLU N . 36021 1 1121 . 2 2 43 43 ARG H H 1 7.948 0.009 . 1 . 931 . B 126 ARG H . 36021 1 1122 . 2 2 43 43 ARG HA H 1 4.167 0.006 . 1 . 1094 . B 126 ARG HA . 36021 1 1123 . 2 2 43 43 ARG HB2 H 1 1.988 . . 1 . 1095 . B 126 ARG HB2 . 36021 1 1124 . 2 2 43 43 ARG HG2 H 1 1.795 0.004 . 2 . 1158 . B 126 ARG HG2 . 36021 1 1125 . 2 2 43 43 ARG HG3 H 1 1.707 0.002 . 2 . 1160 . B 126 ARG HG3 . 36021 1 1126 . 2 2 43 43 ARG HD2 H 1 3.236 . . 1 . 1161 . B 126 ARG HD2 . 36021 1 1127 . 2 2 43 43 ARG C C 13 179.741 . . 1 . 709 . B 126 ARG C . 36021 1 1128 . 2 2 43 43 ARG CA C 13 59.012 0.015 . 1 . 179 . B 126 ARG CA . 36021 1 1129 . 2 2 43 43 ARG CB C 13 29.695 . . 1 . 178 . B 126 ARG CB . 36021 1 1130 . 2 2 43 43 ARG CG C 13 27.443 0.007 . 1 . 1159 . B 126 ARG CG . 36021 1 1131 . 2 2 43 43 ARG N N 15 118.906 0.045 . 1 . 930 . B 126 ARG N . 36021 1 1132 . 2 2 44 44 LEU H H 1 7.874 0.021 . 1 . 831 . B 127 LEU H . 36021 1 1133 . 2 2 44 44 LEU HA H 1 4.107 0.026 . 1 . 774 . B 127 LEU HA . 36021 1 1134 . 2 2 44 44 LEU HB2 H 1 2.068 0.004 . 2 . 776 . B 127 LEU HB2 . 36021 1 1135 . 2 2 44 44 LEU HB3 H 1 1.529 0.011 . 2 . 775 . B 127 LEU HB3 . 36021 1 1136 . 2 2 44 44 LEU HG H 1 1.855 0.006 . 1 . 778 . B 127 LEU HG . 36021 1 1137 . 2 2 44 44 LEU HD11 H 1 0.902 0.007 . 2 . 1090 . B 127 LEU HD11 . 36021 1 1138 . 2 2 44 44 LEU HD12 H 1 0.902 0.007 . 2 . 1090 . B 127 LEU HD12 . 36021 1 1139 . 2 2 44 44 LEU HD13 H 1 0.902 0.007 . 2 . 1090 . B 127 LEU HD13 . 36021 1 1140 . 2 2 44 44 LEU HD21 H 1 0.913 0.006 . 2 . 1091 . B 127 LEU HD21 . 36021 1 1141 . 2 2 44 44 LEU HD22 H 1 0.913 0.006 . 2 . 1091 . B 127 LEU HD22 . 36021 1 1142 . 2 2 44 44 LEU HD23 H 1 0.913 0.006 . 2 . 1091 . B 127 LEU HD23 . 36021 1 1143 . 2 2 44 44 LEU C C 13 180.082 . . 1 . 11 . B 127 LEU C . 36021 1 1144 . 2 2 44 44 LEU CB C 13 42.311 0.097 . 1 . 773 . B 127 LEU CB . 36021 1 1145 . 2 2 44 44 LEU CG C 13 26.872 0.018 . 1 . 777 . B 127 LEU CG . 36021 1 1146 . 2 2 44 44 LEU CD1 C 13 23.106 0.096 . 2 . 1088 . B 127 LEU CD1 . 36021 1 1147 . 2 2 44 44 LEU CD2 C 13 25.469 0.099 . 2 . 1089 . B 127 LEU CD2 . 36021 1 1148 . 2 2 44 44 LEU N N 15 120.964 0.051 . 1 . 829 . B 127 LEU N . 36021 1 1149 . 2 2 45 45 LEU H H 1 8.058 0.012 . 1 . 916 . B 128 LEU H . 36021 1 1150 . 2 2 45 45 LEU HA H 1 4.063 0.023 . 1 . 256 . B 128 LEU HA . 36021 1 1151 . 2 2 45 45 LEU HB2 H 1 1.847 0.009 . 2 . 257 . B 128 LEU HB2 . 36021 1 1152 . 2 2 45 45 LEU HB3 H 1 1.596 0.016 . 2 . 258 . B 128 LEU HB3 . 36021 1 1153 . 2 2 45 45 LEU HG H 1 1.647 0.012 . 1 . 753 . B 128 LEU HG . 36021 1 1154 . 2 2 45 45 LEU HD11 H 1 0.935 0.011 . 2 . 752 . B 128 LEU HD11 . 36021 1 1155 . 2 2 45 45 LEU HD12 H 1 0.935 0.011 . 2 . 752 . B 128 LEU HD12 . 36021 1 1156 . 2 2 45 45 LEU HD13 H 1 0.935 0.011 . 2 . 752 . B 128 LEU HD13 . 36021 1 1157 . 2 2 45 45 LEU HD21 H 1 0.819 0.014 . 2 . 751 . B 128 LEU HD21 . 36021 1 1158 . 2 2 45 45 LEU HD22 H 1 0.819 0.014 . 2 . 751 . B 128 LEU HD22 . 36021 1 1159 . 2 2 45 45 LEU HD23 H 1 0.819 0.014 . 2 . 751 . B 128 LEU HD23 . 36021 1 1160 . 2 2 45 45 LEU C C 13 178.398 . . 1 . 50 . B 128 LEU C . 36021 1 1161 . 2 2 45 45 LEU CA C 13 56.850 0.009 . 1 . 226 . B 128 LEU CA . 36021 1 1162 . 2 2 45 45 LEU CB C 13 42.390 0.099 . 1 . 225 . B 128 LEU CB . 36021 1 1163 . 2 2 45 45 LEU CG C 13 27.617 0.044 . 1 . 750 . B 128 LEU CG . 36021 1 1164 . 2 2 45 45 LEU CD1 C 13 26.253 0.049 . 2 . 749 . B 128 LEU CD1 . 36021 1 1165 . 2 2 45 45 LEU CD2 C 13 23.566 0.038 . 2 . 748 . B 128 LEU CD2 . 36021 1 1166 . 2 2 45 45 LEU N N 15 119.663 0.045 . 1 . 915 . B 128 LEU N . 36021 1 1167 . 2 2 46 46 GLU H H 1 7.845 0.003 . 1 . 827 . B 129 GLU H . 36021 1 1168 . 2 2 46 46 GLU HA H 1 4.219 0.005 . 1 . 254 . B 129 GLU HA . 36021 1 1169 . 2 2 46 46 GLU HB2 H 1 2.117 0.021 . 2 . 616 . B 129 GLU HB2 . 36021 1 1170 . 2 2 46 46 GLU HB3 H 1 2.122 0.015 . 2 . 255 . B 129 GLU HB3 . 36021 1 1171 . 2 2 46 46 GLU HG2 H 1 2.315 0.013 . 2 . 620 . B 129 GLU HG2 . 36021 1 1172 . 2 2 46 46 GLU HG3 H 1 2.409 0.007 . 2 . 618 . B 129 GLU HG3 . 36021 1 1173 . 2 2 46 46 GLU C C 13 177.389 . . 1 . 21 . B 129 GLU C . 36021 1 1174 . 2 2 46 46 GLU CA C 13 57.550 0.014 . 1 . 153 . B 129 GLU CA . 36021 1 1175 . 2 2 46 46 GLU CB C 13 29.924 0.122 . 1 . 103 . B 129 GLU CB . 36021 1 1176 . 2 2 46 46 GLU CG C 13 36.192 0.008 . 1 . 617 . B 129 GLU CG . 36021 1 1177 . 2 2 46 46 GLU N N 15 119.174 0.072 . 1 . 826 . B 129 GLU N . 36021 1 1178 . 2 2 47 47 SER H H 1 8.043 0.005 . 1 . 958 . B 130 SER H . 36021 1 1179 . 2 2 47 47 SER HA H 1 4.464 0.002 . 1 . 252 . B 130 SER HA . 36021 1 1180 . 2 2 47 47 SER HB2 H 1 3.965 0.005 . 2 . 253 . B 130 SER HB2 . 36021 1 1181 . 2 2 47 47 SER HB3 H 1 3.967 0.004 . 2 . 520 . B 130 SER HB3 . 36021 1 1182 . 2 2 47 47 SER C C 13 175.178 . . 1 . 33 . B 130 SER C . 36021 1 1183 . 2 2 47 47 SER CA C 13 59.246 0.107 . 1 . 105 . B 130 SER CA . 36021 1 1184 . 2 2 47 47 SER CB C 13 64.085 0.025 . 1 . 104 . B 130 SER CB . 36021 1 1185 . 2 2 47 47 SER N N 15 114.606 0.047 . 1 . 957 . B 130 SER N . 36021 1 1186 . 2 2 48 48 GLY H H 1 8.270 0.003 . 1 . 847 . B 131 GLY H . 36021 1 1187 . 2 2 48 48 GLY HA2 H 1 4.015 0.001 . 2 . 503 . B 131 GLY HA2 . 36021 1 1188 . 2 2 48 48 GLY HA3 H 1 4.017 0.003 . 2 . 251 . B 131 GLY HA3 . 36021 1 1189 . 2 2 48 48 GLY C C 13 173.999 . . 1 . 17 . B 131 GLY C . 36021 1 1190 . 2 2 48 48 GLY CA C 13 45.472 0.021 . 1 . 99 . B 131 GLY CA . 36021 1 1191 . 2 2 48 48 GLY N N 15 110.339 0.057 . 1 . 846 . B 131 GLY N . 36021 1 1192 . 2 2 49 49 LEU H H 1 8.080 0.006 . 1 . 895 . B 132 LEU H . 36021 1 1193 . 2 2 49 49 LEU HA H 1 4.442 0.006 . 1 . 250 . B 132 LEU HA . 36021 1 1194 . 2 2 49 49 LEU HB2 H 1 1.656 0.012 . 2 . 742 . B 132 LEU HB2 . 36021 1 1195 . 2 2 49 49 LEU HB3 H 1 1.661 0.011 . 2 . 249 . B 132 LEU HB3 . 36021 1 1196 . 2 2 49 49 LEU HG H 1 1.642 0.017 . 1 . 747 . B 132 LEU HG . 36021 1 1197 . 2 2 49 49 LEU HD11 H 1 0.872 0.026 . 2 . 741 . B 132 LEU HD11 . 36021 1 1198 . 2 2 49 49 LEU HD12 H 1 0.872 0.026 . 2 . 741 . B 132 LEU HD12 . 36021 1 1199 . 2 2 49 49 LEU HD13 H 1 0.872 0.026 . 2 . 741 . B 132 LEU HD13 . 36021 1 1200 . 2 2 49 49 LEU HD21 H 1 0.916 0.009 . 2 . 746 . B 132 LEU HD21 . 36021 1 1201 . 2 2 49 49 LEU HD22 H 1 0.916 0.009 . 2 . 746 . B 132 LEU HD22 . 36021 1 1202 . 2 2 49 49 LEU HD23 H 1 0.916 0.009 . 2 . 746 . B 132 LEU HD23 . 36021 1 1203 . 2 2 49 49 LEU C C 13 176.830 . . 1 . 28 . B 132 LEU C . 36021 1 1204 . 2 2 49 49 LEU CA C 13 55.240 0.012 . 1 . 100 . B 132 LEU CA . 36021 1 1205 . 2 2 49 49 LEU CB C 13 42.509 0.059 . 1 . 232 . B 132 LEU CB . 36021 1 1206 . 2 2 49 49 LEU CG C 13 26.981 0.07 . 1 . 743 . B 132 LEU CG . 36021 1 1207 . 2 2 49 49 LEU CD1 C 13 23.291 0.062 . 2 . 745 . B 132 LEU CD1 . 36021 1 1208 . 2 2 49 49 LEU CD2 C 13 25.142 0.014 . 2 . 744 . B 132 LEU CD2 . 36021 1 1209 . 2 2 49 49 LEU N N 15 121.580 0.069 . 1 . 894 . B 132 LEU N . 36021 1 1210 . 2 2 50 50 THR H H 1 7.727 0.003 . 1 . 956 . B 133 THR H . 36021 1 1211 . 2 2 50 50 THR HA H 1 4.157 0.003 . 1 . 501 . B 133 THR HA . 36021 1 1212 . 2 2 50 50 THR HB H 1 4.247 0.006 . 1 . 502 . B 133 THR HB . 36021 1 1213 . 2 2 50 50 THR HG21 H 1 1.162 0.013 . 1 . 499 . B 133 THR HG21 . 36021 1 1214 . 2 2 50 50 THR HG22 H 1 1.162 0.013 . 1 . 499 . B 133 THR HG22 . 36021 1 1215 . 2 2 50 50 THR HG23 H 1 1.162 0.013 . 1 . 499 . B 133 THR HG23 . 36021 1 1216 . 2 2 50 50 THR CA C 13 63.027 0.007 . 1 . 115 . B 133 THR CA . 36021 1 1217 . 2 2 50 50 THR CB C 13 70.683 0.044 . 1 . 485 . B 133 THR CB . 36021 1 1218 . 2 2 50 50 THR CG2 C 13 22.069 0.005 . 1 . 500 . B 133 THR CG2 . 36021 1 1219 . 2 2 50 50 THR N N 15 119.178 0.044 . 1 . 955 . B 133 THR N . 36021 1 stop_ save_