data_17305 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17305 _Entry.Title ; Three-dimensional structure of the N-terminal effector PYRIN domain of NLRP12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-17 _Entry.Accession_date 2010-11-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Anderson Pinheiro . S. . 17305 2 Wolfgang Peti . . . 17305 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17305 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'death domain' . 17305 NLRP12 . 17305 PYRIN . 17305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 402 17305 '15N chemical shifts' 101 17305 '1H chemical shifts' 698 17305 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 2 . . 2013-02-21 2010-11-17 update BMRB 'update residue 60 one letter code' 17305 1 . . 2011-12-02 2010-11-17 original author 'original release' 17305 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L6A 'BMRB Entry Tracking System' 17305 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17305 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21978668 _Citation.Full_citation . _Citation.Title 'Three-dimensional structure of the effector PYRIN domain of NLRP12' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 413 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 790 _Citation.Page_last 803 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anderson Pinheiro . S. . 17305 1 2 Clarissa Eibl . . . 17305 1 3 Zeynep Ekman-Vural . . . 17305 1 4 Robert Schwarzenbacher . . . 17305 1 5 Wolfgang Peti . . . 17305 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID apoptosis 17305 1 'innate immunity' 17305 1 'NLRP12 PYD' 17305 1 NMR 17305 1 'resonance assignment' 17305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17305 _Assembly.ID 1 _Assembly.Name 'NLRP12 PYD monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'NLRP12 PYD monomer' 1 $NLRP12_PYD A . yes native no no . . . 17305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NLRP12_PYD _Entity.Sf_category entity _Entity.Sf_framecode NLRP12_PYD _Entity.Entry_ID 17305 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NLRP12_PYD _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 ; GHMLRTAGRDGLCRLSTYLE ELEAVELKKFKLYLGTATEL GEGKIPWGSMEKAGPLEMAQ LLITHFGPEEAWRLALSTFE RINRKDLWERGQREDLVRDT VE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues GLY1, HIS2, VAL101 and GLU102 were introduced by cloning and are not part of the protein sequence.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'N-terminal effector domain of the nucleotide-binding and leucine-rich repeat-containing protein NLRP12.' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11722.509 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L6A . "Three-Dimensional Structure Of The N-Terminal Effector Pyrin Domain Of Nlrp12" . . . . . 100.00 102 100.00 100.00 1.15e-65 . . . . 17305 1 2 no DBJ BAF83461 . "unnamed protein product [Homo sapiens]" . . . . . 96.08 1053 100.00 100.00 5.31e-57 . . . . 17305 1 3 no DBJ BAG53059 . "unnamed protein product [Homo sapiens]" . . . . . 96.08 1004 100.00 100.00 3.11e-57 . . . . 17305 1 4 no GB AAH28069 . "NLR family, pyrin domain containing 12 [Homo sapiens]" . . . . . 96.08 1061 100.00 100.00 5.94e-57 . . . . 17305 1 5 no GB AAM18227 . "PYRIN-containing APAF1-like Protein 7 [Homo sapiens]" . . . . . 96.08 1061 100.00 100.00 5.94e-57 . . . . 17305 1 6 no GB AAM75142 . "monarch-1 [Homo sapiens]" . . . . . 96.08 1062 100.00 100.00 5.97e-57 . . . . 17305 1 7 no GB AAM75143 . "monarch-1 splice form II [Homo sapiens]" . . . . . 96.08 1006 100.00 100.00 5.37e-57 . . . . 17305 1 8 no GB AAM75144 . "monarch-1 splice form III [Homo sapiens]" . . . . . 96.08 950 100.00 100.00 2.69e-57 . . . . 17305 1 9 no REF NP_001264055 . "NACHT, LRR and PYD domains-containing protein 12 isoform 3 [Homo sapiens]" . . . . . 96.08 1062 100.00 100.00 5.97e-57 . . . . 17305 1 10 no REF NP_001264058 . "NACHT, LRR and PYD domains-containing protein 12 isoform 4 [Homo sapiens]" . . . . . 96.08 1004 100.00 100.00 2.72e-57 . . . . 17305 1 11 no REF NP_653288 . "NACHT, LRR and PYD domains-containing protein 12 isoform 2 [Homo sapiens]" . . . . . 96.08 1061 100.00 100.00 5.94e-57 . . . . 17305 1 12 no REF XP_003830191 . "PREDICTED: NACHT, LRR and PYD domains-containing protein 12 isoform X2 [Pan paniscus]" . . . . . 96.08 1061 98.98 98.98 3.57e-56 . . . . 17305 1 13 no REF XP_003830193 . "PREDICTED: NACHT, LRR and PYD domains-containing protein 12 isoform X3 [Pan paniscus]" . . . . . 96.08 1004 98.98 98.98 1.62e-56 . . . . 17305 1 14 no SP P59046 . "RecName: Full=NACHT, LRR and PYD domains-containing protein 12; AltName: Full=Monarch-1; AltName: Full=PYRIN-containing APAF1-l" . . . . . 96.08 1061 100.00 100.00 5.94e-57 . . . . 17305 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID inflammation 17305 1 'innate immunity' 17305 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17305 1 2 . HIS . 17305 1 3 . MET . 17305 1 4 . LEU . 17305 1 5 . ARG . 17305 1 6 . THR . 17305 1 7 . ALA . 17305 1 8 . GLY . 17305 1 9 . ARG . 17305 1 10 . ASP . 17305 1 11 . GLY . 17305 1 12 . LEU . 17305 1 13 . CYS . 17305 1 14 . ARG . 17305 1 15 . LEU . 17305 1 16 . SER . 17305 1 17 . THR . 17305 1 18 . TYR . 17305 1 19 . LEU . 17305 1 20 . GLU . 17305 1 21 . GLU . 17305 1 22 . LEU . 17305 1 23 . GLU . 17305 1 24 . ALA . 17305 1 25 . VAL . 17305 1 26 . GLU . 17305 1 27 . LEU . 17305 1 28 . LYS . 17305 1 29 . LYS . 17305 1 30 . PHE . 17305 1 31 . LYS . 17305 1 32 . LEU . 17305 1 33 . TYR . 17305 1 34 . LEU . 17305 1 35 . GLY . 17305 1 36 . THR . 17305 1 37 . ALA . 17305 1 38 . THR . 17305 1 39 . GLU . 17305 1 40 . LEU . 17305 1 41 . GLY . 17305 1 42 . GLU . 17305 1 43 . GLY . 17305 1 44 . LYS . 17305 1 45 . ILE . 17305 1 46 . PRO . 17305 1 47 . TRP . 17305 1 48 . GLY . 17305 1 49 . SER . 17305 1 50 . MET . 17305 1 51 . GLU . 17305 1 52 . LYS . 17305 1 53 . ALA . 17305 1 54 . GLY . 17305 1 55 . PRO . 17305 1 56 . LEU . 17305 1 57 . GLU . 17305 1 58 . MET . 17305 1 59 . ALA . 17305 1 60 . GLN . 17305 1 61 . LEU . 17305 1 62 . LEU . 17305 1 63 . ILE . 17305 1 64 . THR . 17305 1 65 . HIS . 17305 1 66 . PHE . 17305 1 67 . GLY . 17305 1 68 . PRO . 17305 1 69 . GLU . 17305 1 70 . GLU . 17305 1 71 . ALA . 17305 1 72 . TRP . 17305 1 73 . ARG . 17305 1 74 . LEU . 17305 1 75 . ALA . 17305 1 76 . LEU . 17305 1 77 . SER . 17305 1 78 . THR . 17305 1 79 . PHE . 17305 1 80 . GLU . 17305 1 81 . ARG . 17305 1 82 . ILE . 17305 1 83 . ASN . 17305 1 84 . ARG . 17305 1 85 . LYS . 17305 1 86 . ASP . 17305 1 87 . LEU . 17305 1 88 . TRP . 17305 1 89 . GLU . 17305 1 90 . ARG . 17305 1 91 . GLY . 17305 1 92 . GLN . 17305 1 93 . ARG . 17305 1 94 . GLU . 17305 1 95 . ASP . 17305 1 96 . LEU . 17305 1 97 . VAL . 17305 1 98 . ARG . 17305 1 99 . ASP . 17305 1 100 . THR . 17305 1 101 . VAL . 17305 1 102 . GLU . 17305 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17305 1 . HIS 2 2 17305 1 . MET 3 3 17305 1 . LEU 4 4 17305 1 . ARG 5 5 17305 1 . THR 6 6 17305 1 . ALA 7 7 17305 1 . GLY 8 8 17305 1 . ARG 9 9 17305 1 . ASP 10 10 17305 1 . GLY 11 11 17305 1 . LEU 12 12 17305 1 . CYS 13 13 17305 1 . ARG 14 14 17305 1 . LEU 15 15 17305 1 . SER 16 16 17305 1 . THR 17 17 17305 1 . TYR 18 18 17305 1 . LEU 19 19 17305 1 . GLU 20 20 17305 1 . GLU 21 21 17305 1 . LEU 22 22 17305 1 . GLU 23 23 17305 1 . ALA 24 24 17305 1 . VAL 25 25 17305 1 . GLU 26 26 17305 1 . LEU 27 27 17305 1 . LYS 28 28 17305 1 . LYS 29 29 17305 1 . PHE 30 30 17305 1 . LYS 31 31 17305 1 . LEU 32 32 17305 1 . TYR 33 33 17305 1 . LEU 34 34 17305 1 . GLY 35 35 17305 1 . THR 36 36 17305 1 . ALA 37 37 17305 1 . THR 38 38 17305 1 . GLU 39 39 17305 1 . LEU 40 40 17305 1 . GLY 41 41 17305 1 . GLU 42 42 17305 1 . GLY 43 43 17305 1 . LYS 44 44 17305 1 . ILE 45 45 17305 1 . PRO 46 46 17305 1 . TRP 47 47 17305 1 . GLY 48 48 17305 1 . SER 49 49 17305 1 . MET 50 50 17305 1 . GLU 51 51 17305 1 . LYS 52 52 17305 1 . ALA 53 53 17305 1 . GLY 54 54 17305 1 . PRO 55 55 17305 1 . LEU 56 56 17305 1 . GLU 57 57 17305 1 . MET 58 58 17305 1 . ALA 59 59 17305 1 . GLN 60 60 17305 1 . LEU 61 61 17305 1 . LEU 62 62 17305 1 . ILE 63 63 17305 1 . THR 64 64 17305 1 . HIS 65 65 17305 1 . PHE 66 66 17305 1 . GLY 67 67 17305 1 . PRO 68 68 17305 1 . GLU 69 69 17305 1 . GLU 70 70 17305 1 . ALA 71 71 17305 1 . TRP 72 72 17305 1 . ARG 73 73 17305 1 . LEU 74 74 17305 1 . ALA 75 75 17305 1 . LEU 76 76 17305 1 . SER 77 77 17305 1 . THR 78 78 17305 1 . PHE 79 79 17305 1 . GLU 80 80 17305 1 . ARG 81 81 17305 1 . ILE 82 82 17305 1 . ASN 83 83 17305 1 . ARG 84 84 17305 1 . LYS 85 85 17305 1 . ASP 86 86 17305 1 . LEU 87 87 17305 1 . TRP 88 88 17305 1 . GLU 89 89 17305 1 . ARG 90 90 17305 1 . GLY 91 91 17305 1 . GLN 92 92 17305 1 . ARG 93 93 17305 1 . GLU 94 94 17305 1 . ASP 95 95 17305 1 . LEU 96 96 17305 1 . VAL 97 97 17305 1 . ARG 98 98 17305 1 . ASP 99 99 17305 1 . THR 100 100 17305 1 . VAL 101 101 17305 1 . GLU 102 102 17305 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17305 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NLRP12_PYD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17305 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 17305 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NLRP12_PYD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)-RIL' . . . . . . . . . . . . . . . 'pHis parallel STOP' . . . . . . 17305 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17305 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N-labeled NLRP12 PYD sample' _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 'NLRP12 PYD' '[U-99% 15N]' . . 1 $NLRP12_PYD . . 600 . . uM . . . . 17305 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17305 1 3 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 17305 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17305 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17305 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17305 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17305 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N-labeled NLRP12 PYD sample' _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 'NLRP12 PYD' '[U-99% 13C; U-99% 15N]' . . 1 $NLRP12_PYD . . 600 . . uM . . . . 17305 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17305 2 3 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 17305 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17305 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17305 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17305 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17305 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Unlabeled NLRP12 PYD sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NLRP12 PYD' 'natural abundance' . . 1 $NLRP12_PYD . . 600 . . uM . . . . 17305 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17305 3 3 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 17305 3 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17305 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17305 3 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 17305 _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' 0.5 . M 17305 1 pH 6.5 . pH 17305 1 pressure 1 . atm 17305 1 temperature 298 . K 17305 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17305 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17305 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17305 1 processing 17305 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17305 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17305 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17305 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17305 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17305 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17305 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17305 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17305 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17305 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17305 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17305 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17305 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 17305 1 2 spectrometer_2 Bruker Avance . 800 . . . 17305 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 17305 _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 . . . . . . . . . . . . . . . . . . . . . 17305 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 7 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 15 '2D 1H-1H COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17305 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17305 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17305 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17305 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17305 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17305 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 17305 1 10 '3D HCCH-TOCSY' . . . 17305 1 11 '3D 1H-15N NOESY' . . . 17305 1 13 '2D 1H-1H NOESY' . . . 17305 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 3 3 MET H H 1 8.393 0.05 . 1 . . . . 3 MET HN . 17305 1 2 . 1 1 3 3 MET HA H 1 4.335 0.05 . 1 . . . . 3 MET HA . 17305 1 3 . 1 1 3 3 MET HB2 H 1 1.898 0.05 . 2 . . . . 3 MET QB . 17305 1 4 . 1 1 3 3 MET HB3 H 1 1.898 0.05 . 2 . . . . 3 MET QB . 17305 1 5 . 1 1 3 3 MET CA C 13 55.477 0.30 . 1 . . . . 3 MET CA . 17305 1 6 . 1 1 3 3 MET CB C 13 32.802 0.30 . 1 . . . . 3 MET CB . 17305 1 7 . 1 1 3 3 MET CG C 13 31.952 0.30 . 1 . . . . 3 MET CG . 17305 1 8 . 1 1 3 3 MET N N 15 122.287 0.10 . 1 . . . . 3 MET N . 17305 1 9 . 1 1 4 4 LEU H H 1 8.322 0.05 . 1 . . . . 4 LEU HN . 17305 1 10 . 1 1 4 4 LEU HA H 1 4.243 0.05 . 1 . . . . 4 LEU HA . 17305 1 11 . 1 1 4 4 LEU HB2 H 1 1.501 0.05 . 2 . . . . 4 LEU QB . 17305 1 12 . 1 1 4 4 LEU HB3 H 1 1.501 0.05 . 2 . . . . 4 LEU QB . 17305 1 13 . 1 1 4 4 LEU HG H 1 1.444 0.05 . 1 . . . . 4 LEU HG . 17305 1 14 . 1 1 4 4 LEU HD11 H 1 0.805 0.05 . 2 . . . . 4 LEU QD1 . 17305 1 15 . 1 1 4 4 LEU HD12 H 1 0.805 0.05 . 2 . . . . 4 LEU QD1 . 17305 1 16 . 1 1 4 4 LEU HD13 H 1 0.805 0.05 . 2 . . . . 4 LEU QD1 . 17305 1 17 . 1 1 4 4 LEU HD21 H 1 0.766 0.05 . 2 . . . . 4 LEU QD2 . 17305 1 18 . 1 1 4 4 LEU HD22 H 1 0.766 0.05 . 2 . . . . 4 LEU QD2 . 17305 1 19 . 1 1 4 4 LEU HD23 H 1 0.766 0.05 . 2 . . . . 4 LEU QD2 . 17305 1 20 . 1 1 4 4 LEU CA C 13 55.213 0.30 . 1 . . . . 4 LEU CA . 17305 1 21 . 1 1 4 4 LEU CB C 13 42.077 0.30 . 1 . . . . 4 LEU CB . 17305 1 22 . 1 1 4 4 LEU CG C 13 26.866 0.30 . 1 . . . . 4 LEU CG . 17305 1 23 . 1 1 4 4 LEU CD1 C 13 24.792 0.30 . 1 . . . . 4 LEU CD1 . 17305 1 24 . 1 1 4 4 LEU CD2 C 13 23.639 0.30 . 1 . . . . 4 LEU CD2 . 17305 1 25 . 1 1 4 4 LEU N N 15 124.588 0.10 . 1 . . . . 4 LEU N . 17305 1 26 . 1 1 5 5 ARG H H 1 7.800 0.05 . 1 . . . . 5 ARG HN . 17305 1 27 . 1 1 5 5 ARG C C 13 178.074 0.30 . 1 . . . . 5 ARG C . 17305 1 28 . 1 1 5 5 ARG CA C 13 57.203 0.30 . 1 . . . . 5 ARG CA . 17305 1 29 . 1 1 5 5 ARG CB C 13 31.442 0.30 . 1 . . . . 5 ARG CB . 17305 1 30 . 1 1 5 5 ARG N N 15 126.774 0.10 . 1 . . . . 5 ARG N . 17305 1 31 . 1 1 6 6 THR HA H 1 4.290 0.05 . 1 . . . . 6 THR HA . 17305 1 32 . 1 1 6 6 THR HB H 1 4.076 0.05 . 1 . . . . 6 THR HB . 17305 1 33 . 1 1 6 6 THR HG21 H 1 1.083 0.05 . 1 . . . . 6 THR QG2 . 17305 1 34 . 1 1 6 6 THR HG22 H 1 1.083 0.05 . 1 . . . . 6 THR QG2 . 17305 1 35 . 1 1 6 6 THR HG23 H 1 1.083 0.05 . 1 . . . . 6 THR QG2 . 17305 1 36 . 1 1 6 6 THR CA C 13 61.666 0.30 . 1 . . . . 6 THR CA . 17305 1 37 . 1 1 6 6 THR CB C 13 69.502 0.30 . 1 . . . . 6 THR CB . 17305 1 38 . 1 1 6 6 THR CG2 C 13 21.565 0.30 . 1 . . . . 6 THR CG2 . 17305 1 39 . 1 1 7 7 ALA H H 1 8.243 0.05 . 1 . . . . 7 ALA HN . 17305 1 40 . 1 1 7 7 ALA HA H 1 4.248 0.05 . 1 . . . . 7 ALA HA . 17305 1 41 . 1 1 7 7 ALA HB1 H 1 1.306 0.05 . 1 . . . . 7 ALA QB . 17305 1 42 . 1 1 7 7 ALA HB2 H 1 1.306 0.05 . 1 . . . . 7 ALA QB . 17305 1 43 . 1 1 7 7 ALA HB3 H 1 1.306 0.05 . 1 . . . . 7 ALA QB . 17305 1 44 . 1 1 7 7 ALA CA C 13 52.678 0.30 . 1 . . . . 7 ALA CA . 17305 1 45 . 1 1 7 7 ALA CB C 13 19.030 0.30 . 1 . . . . 7 ALA CB . 17305 1 46 . 1 1 7 7 ALA N N 15 125.815 0.10 . 1 . . . . 7 ALA N . 17305 1 47 . 1 1 8 8 GLY H H 1 8.474 0.05 . 1 . . . . 8 GLY HN . 17305 1 48 . 1 1 8 8 GLY HA2 H 1 3.839 0.05 . 2 . . . . 8 GLY QA . 17305 1 49 . 1 1 8 8 GLY HA3 H 1 3.839 0.05 . 2 . . . . 8 GLY QA . 17305 1 50 . 1 1 8 8 GLY C C 13 171.734 0.30 . 1 . . . . 8 GLY C . 17305 1 51 . 1 1 8 8 GLY CA C 13 45.534 0.30 . 1 . . . . 8 GLY CA . 17305 1 52 . 1 1 8 8 GLY N N 15 108.723 0.10 . 1 . . . . 8 GLY N . 17305 1 53 . 1 1 9 9 ARG H H 1 8.153 0.05 . 1 . . . . 9 ARG HN . 17305 1 54 . 1 1 9 9 ARG HA H 1 4.230 0.05 . 1 . . . . 9 ARG HA . 17305 1 55 . 1 1 9 9 ARG HB2 H 1 1.764 0.05 . 1 . . . . 9 ARG HB2 . 17305 1 56 . 1 1 9 9 ARG HB3 H 1 1.647 0.05 . 1 . . . . 9 ARG HB3 . 17305 1 57 . 1 1 9 9 ARG HG2 H 1 1.495 0.05 . 2 . . . . 9 ARG QG . 17305 1 58 . 1 1 9 9 ARG HG3 H 1 1.495 0.05 . 2 . . . . 9 ARG QG . 17305 1 59 . 1 1 9 9 ARG HD2 H 1 3.051 0.05 . 2 . . . . 9 ARG QD . 17305 1 60 . 1 1 9 9 ARG HD3 H 1 3.051 0.05 . 2 . . . . 9 ARG QD . 17305 1 61 . 1 1 9 9 ARG C C 13 173.663 0.30 . 1 . . . . 9 ARG C . 17305 1 62 . 1 1 9 9 ARG CA C 13 56.366 0.30 . 1 . . . . 9 ARG CA . 17305 1 63 . 1 1 9 9 ARG CB C 13 30.323 0.30 . 1 . . . . 9 ARG CB . 17305 1 64 . 1 1 9 9 ARG CG C 13 27.096 0.30 . 1 . . . . 9 ARG CG . 17305 1 65 . 1 1 9 9 ARG CD C 13 43.229 0.30 . 1 . . . . 9 ARG CD . 17305 1 66 . 1 1 9 9 ARG N N 15 120.646 0.10 . 1 . . . . 9 ARG N . 17305 1 67 . 1 1 10 10 ASP H H 1 8.235 0.05 . 1 . . . . 10 ASP HN . 17305 1 68 . 1 1 10 10 ASP HA H 1 4.360 0.05 . 1 . . . . 10 ASP HA . 17305 1 69 . 1 1 10 10 ASP HB2 H 1 2.615 0.05 . 1 . . . . 10 ASP HB2 . 17305 1 70 . 1 1 10 10 ASP HB3 H 1 2.584 0.05 . 1 . . . . 10 ASP HB3 . 17305 1 71 . 1 1 10 10 ASP C C 13 174.136 0.30 . 1 . . . . 10 ASP C . 17305 1 72 . 1 1 10 10 ASP CA C 13 54.752 0.30 . 1 . . . . 10 ASP CA . 17305 1 73 . 1 1 10 10 ASP CB C 13 40.924 0.30 . 1 . . . . 10 ASP CB . 17305 1 74 . 1 1 10 10 ASP N N 15 120.753 0.10 . 1 . . . . 10 ASP N . 17305 1 75 . 1 1 11 11 GLY H H 1 8.320 0.05 . 1 . . . . 11 GLY HN . 17305 1 76 . 1 1 11 11 GLY HA2 H 1 3.772 0.05 . 1 . . . . 11 GLY HA1 . 17305 1 77 . 1 1 11 11 GLY HA3 H 1 3.622 0.05 . 1 . . . . 11 GLY HA2 . 17305 1 78 . 1 1 11 11 GLY C C 13 172.774 0.30 . 1 . . . . 11 GLY C . 17305 1 79 . 1 1 11 11 GLY CA C 13 46.456 0.30 . 1 . . . . 11 GLY CA . 17305 1 80 . 1 1 11 11 GLY N N 15 108.394 0.10 . 1 . . . . 11 GLY N . 17305 1 81 . 1 1 12 12 LEU H H 1 7.966 0.05 . 1 . . . . 12 LEU HN . 17305 1 82 . 1 1 12 12 LEU HA H 1 3.868 0.05 . 1 . . . . 12 LEU HA . 17305 1 83 . 1 1 12 12 LEU HB2 H 1 1.741 0.05 . 1 . . . . 12 LEU HB2 . 17305 1 84 . 1 1 12 12 LEU HB3 H 1 1.454 0.05 . 1 . . . . 12 LEU HB3 . 17305 1 85 . 1 1 12 12 LEU HD11 H 1 0.816 0.05 . 2 . . . . 12 LEU QD1 . 17305 1 86 . 1 1 12 12 LEU HD12 H 1 0.816 0.05 . 2 . . . . 12 LEU QD1 . 17305 1 87 . 1 1 12 12 LEU HD13 H 1 0.816 0.05 . 2 . . . . 12 LEU QD1 . 17305 1 88 . 1 1 12 12 LEU HD21 H 1 0.783 0.05 . 2 . . . . 12 LEU QD2 . 17305 1 89 . 1 1 12 12 LEU HD22 H 1 0.783 0.05 . 2 . . . . 12 LEU QD2 . 17305 1 90 . 1 1 12 12 LEU HD23 H 1 0.783 0.05 . 2 . . . . 12 LEU QD2 . 17305 1 91 . 1 1 12 12 LEU C C 13 175.568 0.30 . 1 . . . . 12 LEU C . 17305 1 92 . 1 1 12 12 LEU CA C 13 58.209 0.30 . 1 . . . . 12 LEU CA . 17305 1 93 . 1 1 12 12 LEU CB C 13 41.616 0.30 . 1 . . . . 12 LEU CB . 17305 1 94 . 1 1 12 12 LEU CG C 13 24.421 0.30 . 1 . . . . 12 LEU CG . 17305 1 95 . 1 1 12 12 LEU CD1 C 13 25.253 0.30 . 1 . . . . 12 LEU CD1 . 17305 1 96 . 1 1 12 12 LEU CD2 C 13 24.100 0.30 . 1 . . . . 12 LEU CD2 . 17305 1 97 . 1 1 12 12 LEU N N 15 123.328 0.10 . 1 . . . . 12 LEU N . 17305 1 98 . 1 1 13 13 CYS H H 1 8.345 0.05 . 1 . . . . 13 CYS HN . 17305 1 99 . 1 1 13 13 CYS HA H 1 4.006 0.05 . 1 . . . . 13 CYS HA . 17305 1 100 . 1 1 13 13 CYS HB2 H 1 2.850 0.05 . 2 . . . . 13 CYS QB . 17305 1 101 . 1 1 13 13 CYS HB3 H 1 2.850 0.05 . 2 . . . . 13 CYS QB . 17305 1 102 . 1 1 13 13 CYS C C 13 174.448 0.30 . 1 . . . . 13 CYS C . 17305 1 103 . 1 1 13 13 CYS CA C 13 62.127 0.30 . 1 . . . . 13 CYS CA . 17305 1 104 . 1 1 13 13 CYS CB C 13 26.405 0.30 . 1 . . . . 13 CYS CB . 17305 1 105 . 1 1 13 13 CYS N N 15 119.000 0.10 . 1 . . . . 13 CYS N . 17305 1 106 . 1 1 14 14 ARG H H 1 8.187 0.05 . 1 . . . . 14 ARG HN . 17305 1 107 . 1 1 14 14 ARG HA H 1 3.982 0.05 . 1 . . . . 14 ARG HA . 17305 1 108 . 1 1 14 14 ARG HB2 H 1 1.563 0.05 . 1 . . . . 14 ARG HB2 . 17305 1 109 . 1 1 14 14 ARG HB3 H 1 1.449 0.05 . 1 . . . . 14 ARG HB3 . 17305 1 110 . 1 1 14 14 ARG HG2 H 1 1.008 0.05 . 2 . . . . 14 ARG QG . 17305 1 111 . 1 1 14 14 ARG HG3 H 1 1.008 0.05 . 2 . . . . 14 ARG QG . 17305 1 112 . 1 1 14 14 ARG HD2 H 1 2.345 0.05 . 1 . . . . 14 ARG HD2 . 17305 1 113 . 1 1 14 14 ARG HD3 H 1 2.170 0.05 . 1 . . . . 14 ARG HD3 . 17305 1 114 . 1 1 14 14 ARG C C 13 174.818 0.30 . 1 . . . . 14 ARG C . 17305 1 115 . 1 1 14 14 ARG CA C 13 59.592 0.30 . 1 . . . . 14 ARG CA . 17305 1 116 . 1 1 14 14 ARG CB C 13 29.862 0.30 . 1 . . . . 14 ARG CB . 17305 1 117 . 1 1 14 14 ARG CG C 13 26.405 0.30 . 1 . . . . 14 ARG CG . 17305 1 118 . 1 1 14 14 ARG CD C 13 42.999 0.30 . 1 . . . . 14 ARG CD . 17305 1 119 . 1 1 14 14 ARG N N 15 122.119 0.10 . 1 . . . . 14 ARG N . 17305 1 120 . 1 1 15 15 LEU H H 1 7.970 0.05 . 1 . . . . 15 LEU HN . 17305 1 121 . 1 1 15 15 LEU HA H 1 4.211 0.05 . 1 . . . . 15 LEU HA . 17305 1 122 . 1 1 15 15 LEU HB2 H 1 1.764 0.05 . 1 . . . . 15 LEU QB . 17305 1 123 . 1 1 15 15 LEU HB3 H 1 1.764 0.05 . 1 . . . . 15 LEU QB . 17305 1 124 . 1 1 15 15 LEU HG H 1 1.595 0.05 . 1 . . . . 15 LEU HG . 17305 1 125 . 1 1 15 15 LEU HD11 H 1 0.929 0.05 . 2 . . . . 15 LEU QD1 . 17305 1 126 . 1 1 15 15 LEU HD12 H 1 0.929 0.05 . 2 . . . . 15 LEU QD1 . 17305 1 127 . 1 1 15 15 LEU HD13 H 1 0.929 0.05 . 2 . . . . 15 LEU QD1 . 17305 1 128 . 1 1 15 15 LEU HD21 H 1 0.908 0.05 . 2 . . . . 15 LEU QD2 . 17305 1 129 . 1 1 15 15 LEU HD22 H 1 0.908 0.05 . 2 . . . . 15 LEU QD2 . 17305 1 130 . 1 1 15 15 LEU HD23 H 1 0.908 0.05 . 2 . . . . 15 LEU QD2 . 17305 1 131 . 1 1 15 15 LEU C C 13 175.741 0.30 . 1 . . . . 15 LEU C . 17305 1 132 . 1 1 15 15 LEU CA C 13 58.670 0.30 . 1 . . . . 15 LEU CA . 17305 1 133 . 1 1 15 15 LEU CB C 13 42.077 0.30 . 1 . . . . 15 LEU CB . 17305 1 134 . 1 1 15 15 LEU CG C 13 27.557 0.30 . 1 . . . . 15 LEU CG . 17305 1 135 . 1 1 15 15 LEU CD1 C 13 26.635 0.30 . 1 . . . . 15 LEU CD1 . 17305 1 136 . 1 1 15 15 LEU CD2 C 13 23.639 0.30 . 1 . . . . 15 LEU CD2 . 17305 1 137 . 1 1 15 15 LEU N N 15 118.344 0.10 . 1 . . . . 15 LEU N . 17305 1 138 . 1 1 16 16 SER H H 1 8.463 0.05 . 1 . . . . 16 SER HN . 17305 1 139 . 1 1 16 16 SER CA C 13 62.787 0.30 . 1 . . . . 16 SER CA . 17305 1 140 . 1 1 16 16 SER N N 15 113.320 0.10 . 1 . . . . 16 SER N . 17305 1 141 . 1 1 17 17 THR H H 1 7.998 0.05 . 1 . . . . 17 THR HN . 17305 1 142 . 1 1 17 17 THR HA H 1 3.893 0.05 . 1 . . . . 17 THR HA . 17305 1 143 . 1 1 17 17 THR HB H 1 4.372 0.05 . 1 . . . . 17 THR HB . 17305 1 144 . 1 1 17 17 THR HG21 H 1 1.112 0.05 . 1 . . . . 17 THR QG2 . 17305 1 145 . 1 1 17 17 THR HG22 H 1 1.112 0.05 . 1 . . . . 17 THR QG2 . 17305 1 146 . 1 1 17 17 THR HG23 H 1 1.112 0.05 . 1 . . . . 17 THR QG2 . 17305 1 147 . 1 1 17 17 THR C C 13 174.159 0.30 . 1 . . . . 17 THR C . 17305 1 148 . 1 1 17 17 THR CA C 13 66.967 0.30 . 1 . . . . 17 THR CA . 17305 1 149 . 1 1 17 17 THR CB C 13 68.811 0.30 . 1 . . . . 17 THR CB . 17305 1 150 . 1 1 17 17 THR CG2 C 13 21.335 0.30 . 1 . . . . 17 THR CG2 . 17305 1 151 . 1 1 17 17 THR N N 15 116.820 0.10 . 1 . . . . 17 THR N . 17305 1 152 . 1 1 18 18 TYR H H 1 8.029 0.05 . 1 . . . . 18 TYR HN . 17305 1 153 . 1 1 18 18 TYR HA H 1 3.848 0.05 . 1 . . . . 18 TYR HA . 17305 1 154 . 1 1 18 18 TYR HB2 H 1 3.364 0.05 . 1 . . . . 18 TYR HB2 . 17305 1 155 . 1 1 18 18 TYR HB3 H 1 2.781 0.05 . 1 . . . . 18 TYR HB3 . 17305 1 156 . 1 1 18 18 TYR HD1 H 1 7.304 0.05 . 1 . . . . 18 TYR QD . 17305 1 157 . 1 1 18 18 TYR HD2 H 1 7.304 0.05 . 1 . . . . 18 TYR QD . 17305 1 158 . 1 1 18 18 TYR HE1 H 1 6.876 0.05 . 1 . . . . 18 TYR QE . 17305 1 159 . 1 1 18 18 TYR HE2 H 1 6.876 0.05 . 1 . . . . 18 TYR QE . 17305 1 160 . 1 1 18 18 TYR C C 13 175.360 0.30 . 1 . . . . 18 TYR C . 17305 1 161 . 1 1 18 18 TYR CA C 13 63.049 0.30 . 1 . . . . 18 TYR CA . 17305 1 162 . 1 1 18 18 TYR CB C 13 38.389 0.30 . 1 . . . . 18 TYR CB . 17305 1 163 . 1 1 18 18 TYR N N 15 120.971 0.10 . 1 . . . . 18 TYR N . 17305 1 164 . 1 1 19 19 LEU H H 1 8.119 0.05 . 1 . . . . 19 LEU HN . 17305 1 165 . 1 1 19 19 LEU HA H 1 3.874 0.05 . 1 . . . . 19 LEU HA . 17305 1 166 . 1 1 19 19 LEU HB2 H 1 1.913 0.05 . 1 . . . . 19 LEU HB2 . 17305 1 167 . 1 1 19 19 LEU HB3 H 1 0.921 0.05 . 1 . . . . 19 LEU HB3 . 17305 1 168 . 1 1 19 19 LEU HG H 1 1.763 0.05 . 1 . . . . 19 LEU HG . 17305 1 169 . 1 1 19 19 LEU HD11 H 1 0.636 0.05 . 2 . . . . 19 LEU QD1 . 17305 1 170 . 1 1 19 19 LEU HD12 H 1 0.636 0.05 . 2 . . . . 19 LEU QD1 . 17305 1 171 . 1 1 19 19 LEU HD13 H 1 0.636 0.05 . 2 . . . . 19 LEU QD1 . 17305 1 172 . 1 1 19 19 LEU HD21 H 1 0.092 0.05 . 2 . . . . 19 LEU QD2 . 17305 1 173 . 1 1 19 19 LEU HD22 H 1 0.092 0.05 . 2 . . . . 19 LEU QD2 . 17305 1 174 . 1 1 19 19 LEU HD23 H 1 0.092 0.05 . 2 . . . . 19 LEU QD2 . 17305 1 175 . 1 1 19 19 LEU C C 13 177.277 0.30 . 1 . . . . 19 LEU C . 17305 1 176 . 1 1 19 19 LEU CA C 13 57.748 0.30 . 1 . . . . 19 LEU CA . 17305 1 177 . 1 1 19 19 LEU CB C 13 41.385 0.30 . 1 . . . . 19 LEU CB . 17305 1 178 . 1 1 19 19 LEU CG C 13 26.635 0.30 . 1 . . . . 19 LEU CG . 17305 1 179 . 1 1 19 19 LEU CD1 C 13 25.713 0.30 . 1 . . . . 19 LEU CD1 . 17305 1 180 . 1 1 19 19 LEU CD2 C 13 22.717 0.30 . 1 . . . . 19 LEU CD2 . 17305 1 181 . 1 1 19 19 LEU N N 15 115.742 0.10 . 1 . . . . 19 LEU N . 17305 1 182 . 1 1 20 20 GLU H H 1 8.219 0.05 . 1 . . . . 20 GLU HN . 17305 1 183 . 1 1 20 20 GLU HA H 1 3.878 0.05 . 1 . . . . 20 GLU HA . 17305 1 184 . 1 1 20 20 GLU HB2 H 1 2.143 0.05 . 1 . . . . 20 GLU HB2 . 17305 1 185 . 1 1 20 20 GLU HB3 H 1 2.009 0.05 . 1 . . . . 20 GLU HB3 . 17305 1 186 . 1 1 20 20 GLU HG2 H 1 2.419 0.05 . 1 . . . . 20 GLU HG2 . 17305 1 187 . 1 1 20 20 GLU HG3 H 1 2.178 0.05 . 1 . . . . 20 GLU HG3 . 17305 1 188 . 1 1 20 20 GLU C C 13 174.021 0.30 . 1 . . . . 20 GLU C . 17305 1 189 . 1 1 20 20 GLU CA C 13 58.440 0.30 . 1 . . . . 20 GLU CA . 17305 1 190 . 1 1 20 20 GLU CB C 13 29.862 0.30 . 1 . . . . 20 GLU CB . 17305 1 191 . 1 1 20 20 GLU CG C 13 37.006 0.30 . 1 . . . . 20 GLU CG . 17305 1 192 . 1 1 20 20 GLU N N 15 119.710 0.10 . 1 . . . . 20 GLU N . 17305 1 193 . 1 1 21 21 GLU H H 1 7.211 0.05 . 1 . . . . 21 GLU HN . 17305 1 194 . 1 1 21 21 GLU HA H 1 4.046 0.05 . 1 . . . . 21 GLU HA . 17305 1 195 . 1 1 21 21 GLU HB2 H 1 2.037 0.05 . 2 . . . . 21 GLU QB . 17305 1 196 . 1 1 21 21 GLU HB3 H 1 2.037 0.05 . 2 . . . . 21 GLU QB . 17305 1 197 . 1 1 21 21 GLU C C 13 175.164 0.30 . 1 . . . . 21 GLU C . 17305 1 198 . 1 1 21 21 GLU CA C 13 57.122 0.30 . 1 . . . . 21 GLU CA . 17305 1 199 . 1 1 21 21 GLU CB C 13 29.855 0.30 . 1 . . . . 21 GLU CB . 17305 1 200 . 1 1 21 21 GLU CG C 13 36.090 0.30 . 1 . . . . 21 GLU CG . 17305 1 201 . 1 1 21 21 GLU N N 15 115.622 0.10 . 1 . . . . 21 GLU N . 17305 1 202 . 1 1 22 22 LEU H H 1 7.014 0.05 . 1 . . . . 22 LEU HN . 17305 1 203 . 1 1 22 22 LEU HA H 1 4.210 0.05 . 1 . . . . 22 LEU HA . 17305 1 204 . 1 1 22 22 LEU HB2 H 1 1.849 0.05 . 1 . . . . 22 LEU HB2 . 17305 1 205 . 1 1 22 22 LEU HB3 H 1 1.387 0.05 . 1 . . . . 22 LEU HB3 . 17305 1 206 . 1 1 22 22 LEU HG H 1 1.722 0.05 . 1 . . . . 22 LEU HG . 17305 1 207 . 1 1 22 22 LEU HD11 H 1 0.639 0.05 . 2 . . . . 22 LEU QD1 . 17305 1 208 . 1 1 22 22 LEU HD12 H 1 0.639 0.05 . 2 . . . . 22 LEU QD1 . 17305 1 209 . 1 1 22 22 LEU HD13 H 1 0.639 0.05 . 2 . . . . 22 LEU QD1 . 17305 1 210 . 1 1 22 22 LEU HD21 H 1 0.632 0.05 . 2 . . . . 22 LEU QD2 . 17305 1 211 . 1 1 22 22 LEU HD22 H 1 0.632 0.05 . 2 . . . . 22 LEU QD2 . 17305 1 212 . 1 1 22 22 LEU HD23 H 1 0.632 0.05 . 2 . . . . 22 LEU QD2 . 17305 1 213 . 1 1 22 22 LEU C C 13 175.730 0.30 . 1 . . . . 22 LEU C . 17305 1 214 . 1 1 22 22 LEU CA C 13 54.533 0.30 . 1 . . . . 22 LEU CA . 17305 1 215 . 1 1 22 22 LEU CB C 13 40.694 0.30 . 1 . . . . 22 LEU CB . 17305 1 216 . 1 1 22 22 LEU CG C 13 26.405 0.30 . 1 . . . . 22 LEU CG . 17305 1 217 . 1 1 22 22 LEU CD1 C 13 26.405 0.30 . 1 . . . . 22 LEU CD1 . 17305 1 218 . 1 1 22 22 LEU CD2 C 13 23.409 0.30 . 1 . . . . 22 LEU CD2 . 17305 1 219 . 1 1 22 22 LEU N N 15 117.476 0.10 . 1 . . . . 22 LEU N . 17305 1 220 . 1 1 23 23 GLU H H 1 8.779 0.05 . 1 . . . . 23 GLU HN . 17305 1 221 . 1 1 23 23 GLU HA H 1 4.309 0.05 . 1 . . . . 23 GLU HA . 17305 1 222 . 1 1 23 23 GLU HB2 H 1 2.333 0.05 . 1 . . . . 23 GLU HB2 . 17305 1 223 . 1 1 23 23 GLU HB3 H 1 1.489 0.05 . 1 . . . . 23 GLU HB3 . 17305 1 224 . 1 1 23 23 GLU HG2 H 1 2.359 0.05 . 1 . . . . 23 GLU HG2 . 17305 1 225 . 1 1 23 23 GLU HG3 H 1 2.295 0.05 . 1 . . . . 23 GLU HG3 . 17305 1 226 . 1 1 23 23 GLU C C 13 174.991 0.30 . 1 . . . . 23 GLU C . 17305 1 227 . 1 1 23 23 GLU CA C 13 55.674 0.30 . 1 . . . . 23 GLU CA . 17305 1 228 . 1 1 23 23 GLU CB C 13 30.323 0.30 . 1 . . . . 23 GLU CB . 17305 1 229 . 1 1 23 23 GLU CG C 13 36.084 0.30 . 1 . . . . 23 GLU CG . 17305 1 230 . 1 1 23 23 GLU N N 15 122.834 0.10 . 1 . . . . 23 GLU N . 17305 1 231 . 1 1 24 24 ALA H H 1 9.112 0.05 . 1 . . . . 24 ALA HN . 17305 1 232 . 1 1 24 24 ALA HA H 1 4.030 0.05 . 1 . . . . 24 ALA HA . 17305 1 233 . 1 1 24 24 ALA HB1 H 1 1.447 0.05 . 1 . . . . 24 ALA QB . 17305 1 234 . 1 1 24 24 ALA HB2 H 1 1.447 0.05 . 1 . . . . 24 ALA QB . 17305 1 235 . 1 1 24 24 ALA HB3 H 1 1.447 0.05 . 1 . . . . 24 ALA QB . 17305 1 236 . 1 1 24 24 ALA C C 13 179.229 0.30 . 1 . . . . 24 ALA C . 17305 1 237 . 1 1 24 24 ALA CA C 13 56.827 0.30 . 1 . . . . 24 ALA CA . 17305 1 238 . 1 1 24 24 ALA CB C 13 17.647 0.30 . 1 . . . . 24 ALA CB . 17305 1 239 . 1 1 24 24 ALA N N 15 127.076 0.10 . 1 . . . . 24 ALA N . 17305 1 240 . 1 1 25 25 VAL H H 1 8.751 0.05 . 1 . . . . 25 VAL HN . 17305 1 241 . 1 1 25 25 VAL HA H 1 3.926 0.05 . 1 . . . . 25 VAL HA . 17305 1 242 . 1 1 25 25 VAL HB H 1 2.147 0.05 . 1 . . . . 25 VAL HB . 17305 1 243 . 1 1 25 25 VAL HG11 H 1 1.007 0.05 . 2 . . . . 25 VAL QG1 . 17305 1 244 . 1 1 25 25 VAL HG12 H 1 1.007 0.05 . 2 . . . . 25 VAL QG1 . 17305 1 245 . 1 1 25 25 VAL HG13 H 1 1.007 0.05 . 2 . . . . 25 VAL QG1 . 17305 1 246 . 1 1 25 25 VAL HG21 H 1 0.961 0.05 . 2 . . . . 25 VAL QG2 . 17305 1 247 . 1 1 25 25 VAL HG22 H 1 0.961 0.05 . 2 . . . . 25 VAL QG2 . 17305 1 248 . 1 1 25 25 VAL HG23 H 1 0.961 0.05 . 2 . . . . 25 VAL QG2 . 17305 1 249 . 1 1 25 25 VAL C C 13 175.025 0.30 . 1 . . . . 25 VAL C . 17305 1 250 . 1 1 25 25 VAL CA C 13 65.123 0.30 . 1 . . . . 25 VAL CA . 17305 1 251 . 1 1 25 25 VAL CB C 13 31.245 0.30 . 1 . . . . 25 VAL CB . 17305 1 252 . 1 1 25 25 VAL CG1 C 13 21.565 0.30 . 1 . . . . 25 VAL CG1 . 17305 1 253 . 1 1 25 25 VAL CG2 C 13 21.104 0.30 . 1 . . . . 25 VAL CG2 . 17305 1 254 . 1 1 25 25 VAL N N 15 115.684 0.10 . 1 . . . . 25 VAL N . 17305 1 255 . 1 1 26 26 GLU H H 1 6.833 0.05 . 1 . . . . 26 GLU HN . 17305 1 256 . 1 1 26 26 GLU HA H 1 3.968 0.05 . 1 . . . . 26 GLU HA . 17305 1 257 . 1 1 26 26 GLU HB2 H 1 2.553 0.05 . 1 . . . . 26 GLU HB2 . 17305 1 258 . 1 1 26 26 GLU HB3 H 1 1.900 0.05 . 1 . . . . 26 GLU HB3 . 17305 1 259 . 1 1 26 26 GLU HG2 H 1 2.299 0.05 . 2 . . . . 26 GLU QG . 17305 1 260 . 1 1 26 26 GLU HG3 H 1 2.299 0.05 . 2 . . . . 26 GLU QG . 17305 1 261 . 1 1 26 26 GLU C C 13 175.499 0.30 . 1 . . . . 26 GLU C . 17305 1 262 . 1 1 26 26 GLU CA C 13 58.209 0.30 . 1 . . . . 26 GLU CA . 17305 1 263 . 1 1 26 26 GLU CB C 13 30.323 0.30 . 1 . . . . 26 GLU CB . 17305 1 264 . 1 1 26 26 GLU CG C 13 36.084 0.30 . 1 . . . . 26 GLU CG . 17305 1 265 . 1 1 26 26 GLU N N 15 120.489 0.10 . 1 . . . . 26 GLU N . 17305 1 266 . 1 1 27 27 LEU H H 1 8.535 0.05 . 1 . . . . 27 LEU HN . 17305 1 267 . 1 1 27 27 LEU HA H 1 4.095 0.05 . 1 . . . . 27 LEU HA . 17305 1 268 . 1 1 27 27 LEU HB2 H 1 1.983 0.05 . 1 . . . . 27 LEU HB2 . 17305 1 269 . 1 1 27 27 LEU HB3 H 1 1.389 0.05 . 1 . . . . 27 LEU HB3 . 17305 1 270 . 1 1 27 27 LEU HG H 1 1.569 0.05 . 1 . . . . 27 LEU HG . 17305 1 271 . 1 1 27 27 LEU HD11 H 1 0.864 0.05 . 2 . . . . 27 LEU QD1 . 17305 1 272 . 1 1 27 27 LEU HD12 H 1 0.864 0.05 . 2 . . . . 27 LEU QD1 . 17305 1 273 . 1 1 27 27 LEU HD13 H 1 0.864 0.05 . 2 . . . . 27 LEU QD1 . 17305 1 274 . 1 1 27 27 LEU HD21 H 1 0.736 0.05 . 2 . . . . 27 LEU QD2 . 17305 1 275 . 1 1 27 27 LEU HD22 H 1 0.736 0.05 . 2 . . . . 27 LEU QD2 . 17305 1 276 . 1 1 27 27 LEU HD23 H 1 0.736 0.05 . 2 . . . . 27 LEU QD2 . 17305 1 277 . 1 1 27 27 LEU C C 13 175.730 0.30 . 1 . . . . 27 LEU C . 17305 1 278 . 1 1 27 27 LEU CA C 13 57.748 0.30 . 1 . . . . 27 LEU CA . 17305 1 279 . 1 1 27 27 LEU CB C 13 40.002 0.30 . 1 . . . . 27 LEU CB . 17305 1 280 . 1 1 27 27 LEU CG C 13 27.557 0.30 . 1 . . . . 27 LEU CG . 17305 1 281 . 1 1 27 27 LEU CD1 C 13 25.253 0.30 . 1 . . . . 27 LEU CD1 . 17305 1 282 . 1 1 27 27 LEU CD2 C 13 23.178 0.30 . 1 . . . . 27 LEU CD2 . 17305 1 283 . 1 1 27 27 LEU N N 15 121.586 0.10 . 1 . . . . 27 LEU N . 17305 1 284 . 1 1 28 28 LYS H H 1 7.619 0.05 . 1 . . . . 28 LYS HN . 17305 1 285 . 1 1 28 28 LYS HA H 1 4.070 0.05 . 1 . . . . 28 LYS HA . 17305 1 286 . 1 1 28 28 LYS HB2 H 1 2.030 0.05 . 1 . . . . 28 LYS HB2 . 17305 1 287 . 1 1 28 28 LYS HB3 H 1 1.921 0.05 . 1 . . . . 28 LYS HB3 . 17305 1 288 . 1 1 28 28 LYS HG2 H 1 1.593 0.05 . 1 . . . . 28 LYS HG2 . 17305 1 289 . 1 1 28 28 LYS HG3 H 1 1.441 0.05 . 1 . . . . 28 LYS HG3 . 17305 1 290 . 1 1 28 28 LYS HD2 H 1 1.733 0.05 . 2 . . . . 28 LYS QD . 17305 1 291 . 1 1 28 28 LYS HD3 H 1 1.733 0.05 . 2 . . . . 28 LYS QD . 17305 1 292 . 1 1 28 28 LYS HE2 H 1 2.938 0.05 . 2 . . . . 28 LYS QE . 17305 1 293 . 1 1 28 28 LYS HE3 H 1 2.938 0.05 . 2 . . . . 28 LYS QE . 17305 1 294 . 1 1 28 28 LYS C C 13 175.972 0.30 . 1 . . . . 28 LYS C . 17305 1 295 . 1 1 28 28 LYS CA C 13 60.514 0.30 . 1 . . . . 28 LYS CA . 17305 1 296 . 1 1 28 28 LYS CB C 13 31.936 0.30 . 1 . . . . 28 LYS CB . 17305 1 297 . 1 1 28 28 LYS CG C 13 25.483 0.30 . 1 . . . . 28 LYS CG . 17305 1 298 . 1 1 28 28 LYS CD C 13 29.631 0.30 . 1 . . . . 28 LYS CD . 17305 1 299 . 1 1 28 28 LYS CE C 13 42.538 0.30 . 1 . . . . 28 LYS CE . 17305 1 300 . 1 1 28 28 LYS N N 15 118.964 0.10 . 1 . . . . 28 LYS N . 17305 1 301 . 1 1 29 29 LYS H H 1 7.806 0.05 . 1 . . . . 29 LYS HN . 17305 1 302 . 1 1 29 29 LYS HA H 1 3.936 0.05 . 1 . . . . 29 LYS HA . 17305 1 303 . 1 1 29 29 LYS HB2 H 1 1.984 0.05 . 1 . . . . 29 LYS HB2 . 17305 1 304 . 1 1 29 29 LYS HB3 H 1 1.788 0.05 . 1 . . . . 29 LYS HB3 . 17305 1 305 . 1 1 29 29 LYS HG2 H 1 1.709 0.05 . 1 . . . . 29 LYS HG2 . 17305 1 306 . 1 1 29 29 LYS HG3 H 1 1.401 0.05 . 1 . . . . 29 LYS HG3 . 17305 1 307 . 1 1 29 29 LYS HD2 H 1 1.625 0.05 . 2 . . . . 29 LYS QD . 17305 1 308 . 1 1 29 29 LYS HD3 H 1 1.625 0.05 . 2 . . . . 29 LYS QD . 17305 1 309 . 1 1 29 29 LYS HE2 H 1 2.835 0.05 . 2 . . . . 29 LYS QE . 17305 1 310 . 1 1 29 29 LYS HE3 H 1 2.835 0.05 . 2 . . . . 29 LYS QE . 17305 1 311 . 1 1 29 29 LYS C C 13 175.545 0.30 . 1 . . . . 29 LYS C . 17305 1 312 . 1 1 29 29 LYS CA C 13 60.284 0.30 . 1 . . . . 29 LYS CA . 17305 1 313 . 1 1 29 29 LYS CB C 13 32.858 0.30 . 1 . . . . 29 LYS CB . 17305 1 314 . 1 1 29 29 LYS CG C 13 25.944 0.30 . 1 . . . . 29 LYS CG . 17305 1 315 . 1 1 29 29 LYS CD C 13 29.862 0.30 . 1 . . . . 29 LYS CD . 17305 1 316 . 1 1 29 29 LYS CE C 13 42.077 0.30 . 1 . . . . 29 LYS CE . 17305 1 317 . 1 1 29 29 LYS N N 15 118.804 0.10 . 1 . . . . 29 LYS N . 17305 1 318 . 1 1 30 30 PHE H H 1 8.867 0.05 . 1 . . . . 30 PHE HN . 17305 1 319 . 1 1 30 30 PHE HA H 1 3.798 0.05 . 1 . . . . 30 PHE HA . 17305 1 320 . 1 1 30 30 PHE HB2 H 1 3.740 0.05 . 1 . . . . 30 PHE HB2 . 17305 1 321 . 1 1 30 30 PHE HB3 H 1 3.067 0.05 . 1 . . . . 30 PHE HB3 . 17305 1 322 . 1 1 30 30 PHE HD1 H 1 6.947 0.05 . 1 . . . . 30 PHE QD . 17305 1 323 . 1 1 30 30 PHE HD2 H 1 6.947 0.05 . 1 . . . . 30 PHE QD . 17305 1 324 . 1 1 30 30 PHE HE1 H 1 6.707 0.05 . 1 . . . . 30 PHE QE . 17305 1 325 . 1 1 30 30 PHE HE2 H 1 6.707 0.05 . 1 . . . . 30 PHE QE . 17305 1 326 . 1 1 30 30 PHE C C 13 173.339 0.30 . 1 . . . . 30 PHE C . 17305 1 327 . 1 1 30 30 PHE CA C 13 61.205 0.30 . 1 . . . . 30 PHE CA . 17305 1 328 . 1 1 30 30 PHE CB C 13 39.772 0.30 . 1 . . . . 30 PHE CB . 17305 1 329 . 1 1 30 30 PHE N N 15 121.849 0.10 . 1 . . . . 30 PHE N . 17305 1 330 . 1 1 31 31 LYS H H 1 8.082 0.05 . 1 . . . . 31 LYS HN . 17305 1 331 . 1 1 31 31 LYS HA H 1 3.851 0.05 . 1 . . . . 31 LYS HA . 17305 1 332 . 1 1 31 31 LYS HB2 H 1 2.332 0.05 . 1 . . . . 31 LYS HB2 . 17305 1 333 . 1 1 31 31 LYS HB3 H 1 2.262 0.05 . 1 . . . . 31 LYS HB3 . 17305 1 334 . 1 1 31 31 LYS C C 13 175.938 0.30 . 1 . . . . 31 LYS C . 17305 1 335 . 1 1 31 31 LYS CA C 13 60.053 0.30 . 1 . . . . 31 LYS CA . 17305 1 336 . 1 1 31 31 LYS CB C 13 34.241 0.30 . 1 . . . . 31 LYS CB . 17305 1 337 . 1 1 31 31 LYS N N 15 116.874 0.10 . 1 . . . . 31 LYS N . 17305 1 338 . 1 1 32 32 LEU H H 1 8.286 0.05 . 1 . . . . 32 LEU HN . 17305 1 339 . 1 1 32 32 LEU HA H 1 3.981 0.05 . 1 . . . . 32 LEU HA . 17305 1 340 . 1 1 32 32 LEU HB2 H 1 1.728 0.05 . 1 . . . . 32 LEU HB2 . 17305 1 341 . 1 1 32 32 LEU HB3 H 1 1.452 0.05 . 1 . . . . 32 LEU HB3 . 17305 1 342 . 1 1 32 32 LEU HG H 1 1.596 0.05 . 1 . . . . 32 LEU HG . 17305 1 343 . 1 1 32 32 LEU HD11 H 1 0.704 0.05 . 2 . . . . 32 LEU QD1 . 17305 1 344 . 1 1 32 32 LEU HD12 H 1 0.704 0.05 . 2 . . . . 32 LEU QD1 . 17305 1 345 . 1 1 32 32 LEU HD13 H 1 0.704 0.05 . 2 . . . . 32 LEU QD1 . 17305 1 346 . 1 1 32 32 LEU HD21 H 1 0.522 0.05 . 2 . . . . 32 LEU QD2 . 17305 1 347 . 1 1 32 32 LEU HD22 H 1 0.522 0.05 . 2 . . . . 32 LEU QD2 . 17305 1 348 . 1 1 32 32 LEU HD23 H 1 0.522 0.05 . 2 . . . . 32 LEU QD2 . 17305 1 349 . 1 1 32 32 LEU C C 13 177.485 0.30 . 1 . . . . 32 LEU C . 17305 1 350 . 1 1 32 32 LEU CA C 13 57.979 0.30 . 1 . . . . 32 LEU CA . 17305 1 351 . 1 1 32 32 LEU CB C 13 41.846 0.30 . 1 . . . . 32 LEU CB . 17305 1 352 . 1 1 32 32 LEU CG C 13 26.174 0.30 . 1 . . . . 32 LEU CG . 17305 1 353 . 1 1 32 32 LEU CD1 C 13 24.331 0.30 . 1 . . . . 32 LEU CD1 . 17305 1 354 . 1 1 32 32 LEU CD2 C 13 23.870 0.30 . 1 . . . . 32 LEU CD2 . 17305 1 355 . 1 1 32 32 LEU N N 15 118.603 0.10 . 1 . . . . 32 LEU N . 17305 1 356 . 1 1 33 33 TYR H H 1 8.259 0.05 . 1 . . . . 33 TYR HN . 17305 1 357 . 1 1 33 33 TYR HA H 1 3.995 0.05 . 1 . . . . 33 TYR HA . 17305 1 358 . 1 1 33 33 TYR HB2 H 1 2.794 0.05 . 1 . . . . 33 TYR HB2 . 17305 1 359 . 1 1 33 33 TYR HB3 H 1 2.745 0.05 . 1 . . . . 33 TYR HB3 . 17305 1 360 . 1 1 33 33 TYR HD1 H 1 6.906 0.05 . 1 . . . . 33 TYR QD . 17305 1 361 . 1 1 33 33 TYR HD2 H 1 6.906 0.05 . 1 . . . . 33 TYR QD . 17305 1 362 . 1 1 33 33 TYR HE1 H 1 6.577 0.05 . 1 . . . . 33 TYR QE . 17305 1 363 . 1 1 33 33 TYR HE2 H 1 6.577 0.05 . 1 . . . . 33 TYR QE . 17305 1 364 . 1 1 33 33 TYR C C 13 175.256 0.30 . 1 . . . . 33 TYR C . 17305 1 365 . 1 1 33 33 TYR CA C 13 61.436 0.30 . 1 . . . . 33 TYR CA . 17305 1 366 . 1 1 33 33 TYR CB C 13 37.467 0.30 . 1 . . . . 33 TYR CB . 17305 1 367 . 1 1 33 33 TYR N N 15 119.888 0.10 . 1 . . . . 33 TYR N . 17305 1 368 . 1 1 34 34 LEU H H 1 7.600 0.05 . 1 . . . . 34 LEU HN . 17305 1 369 . 1 1 34 34 LEU HA H 1 3.763 0.05 . 1 . . . . 34 LEU HA . 17305 1 370 . 1 1 34 34 LEU HB2 H 1 1.618 0.05 . 1 . . . . 34 LEU HB2 . 17305 1 371 . 1 1 34 34 LEU HB3 H 1 1.237 0.05 . 1 . . . . 34 LEU HB3 . 17305 1 372 . 1 1 34 34 LEU HG H 1 1.502 0.05 . 1 . . . . 34 LEU HG . 17305 1 373 . 1 1 34 34 LEU HD11 H 1 0.500 0.05 . 2 . . . . 34 LEU QD1 . 17305 1 374 . 1 1 34 34 LEU HD12 H 1 0.500 0.05 . 2 . . . . 34 LEU QD1 . 17305 1 375 . 1 1 34 34 LEU HD13 H 1 0.500 0.05 . 2 . . . . 34 LEU QD1 . 17305 1 376 . 1 1 34 34 LEU HD21 H 1 0.493 0.05 . 2 . . . . 34 LEU QD2 . 17305 1 377 . 1 1 34 34 LEU HD22 H 1 0.493 0.05 . 2 . . . . 34 LEU QD2 . 17305 1 378 . 1 1 34 34 LEU HD23 H 1 0.493 0.05 . 2 . . . . 34 LEU QD2 . 17305 1 379 . 1 1 34 34 LEU C C 13 175.684 0.30 . 1 . . . . 34 LEU C . 17305 1 380 . 1 1 34 34 LEU CA C 13 57.057 0.30 . 1 . . . . 34 LEU CA . 17305 1 381 . 1 1 34 34 LEU CB C 13 41.616 0.30 . 1 . . . . 34 LEU CB . 17305 1 382 . 1 1 34 34 LEU CG C 13 26.635 0.30 . 1 . . . . 34 LEU CG . 17305 1 383 . 1 1 34 34 LEU CD1 C 13 26.635 0.30 . 1 . . . . 34 LEU CD1 . 17305 1 384 . 1 1 34 34 LEU CD2 C 13 23.870 0.30 . 1 . . . . 34 LEU CD2 . 17305 1 385 . 1 1 34 34 LEU N N 15 119.611 0.10 . 1 . . . . 34 LEU N . 17305 1 386 . 1 1 35 35 GLY H H 1 8.052 0.05 . 1 . . . . 35 GLY HN . 17305 1 387 . 1 1 35 35 GLY HA2 H 1 4.134 0.05 . 1 . . . . 35 GLY HA1 . 17305 1 388 . 1 1 35 35 GLY HA3 H 1 3.588 0.05 . 1 . . . . 35 GLY HA2 . 17305 1 389 . 1 1 35 35 GLY C C 13 172.190 0.30 . 1 . . . . 35 GLY C . 17305 1 390 . 1 1 35 35 GLY CA C 13 45.764 0.30 . 1 . . . . 35 GLY CA . 17305 1 391 . 1 1 35 35 GLY N N 15 103.691 0.10 . 1 . . . . 35 GLY N . 17305 1 392 . 1 1 36 36 THR H H 1 7.412 0.05 . 1 . . . . 36 THR HN . 17305 1 393 . 1 1 36 36 THR HA H 1 4.306 0.05 . 1 . . . . 36 THR HA . 17305 1 394 . 1 1 36 36 THR HB H 1 4.099 0.05 . 1 . . . . 36 THR HB . 17305 1 395 . 1 1 36 36 THR HG21 H 1 1.028 0.05 . 1 . . . . 36 THR QG2 . 17305 1 396 . 1 1 36 36 THR HG22 H 1 1.028 0.05 . 1 . . . . 36 THR QG2 . 17305 1 397 . 1 1 36 36 THR HG23 H 1 1.028 0.05 . 1 . . . . 36 THR QG2 . 17305 1 398 . 1 1 36 36 THR C C 13 172.127 0.30 . 1 . . . . 36 THR C . 17305 1 399 . 1 1 36 36 THR CA C 13 62.127 0.30 . 1 . . . . 36 THR CA . 17305 1 400 . 1 1 36 36 THR CB C 13 70.655 0.30 . 1 . . . . 36 THR CB . 17305 1 401 . 1 1 36 36 THR CG2 C 13 21.335 0.30 . 1 . . . . 36 THR CG2 . 17305 1 402 . 1 1 36 36 THR N N 15 110.038 0.10 . 1 . . . . 36 THR N . 17305 1 403 . 1 1 37 37 ALA H H 1 7.761 0.05 . 1 . . . . 37 ALA HN . 17305 1 404 . 1 1 37 37 ALA HA H 1 4.102 0.05 . 1 . . . . 37 ALA HA . 17305 1 405 . 1 1 37 37 ALA HB1 H 1 1.002 0.05 . 1 . . . . 37 ALA QB . 17305 1 406 . 1 1 37 37 ALA HB2 H 1 1.002 0.05 . 1 . . . . 37 ALA QB . 17305 1 407 . 1 1 37 37 ALA HB3 H 1 1.002 0.05 . 1 . . . . 37 ALA QB . 17305 1 408 . 1 1 37 37 ALA C C 13 175.741 0.30 . 1 . . . . 37 ALA C . 17305 1 409 . 1 1 37 37 ALA CA C 13 53.139 0.30 . 1 . . . . 37 ALA CA . 17305 1 410 . 1 1 37 37 ALA CB C 13 18.569 0.30 . 1 . . . . 37 ALA CB . 17305 1 411 . 1 1 37 37 ALA N N 15 125.678 0.10 . 1 . . . . 37 ALA N . 17305 1 412 . 1 1 38 38 THR H H 1 8.030 0.05 . 1 . . . . 38 THR HN . 17305 1 413 . 1 1 38 38 THR HA H 1 4.103 0.05 . 1 . . . . 38 THR HA . 17305 1 414 . 1 1 38 38 THR HB H 1 4.139 0.05 . 1 . . . . 38 THR HB . 17305 1 415 . 1 1 38 38 THR HG21 H 1 1.077 0.05 . 1 . . . . 38 THR QG2 . 17305 1 416 . 1 1 38 38 THR HG22 H 1 1.077 0.05 . 1 . . . . 38 THR QG2 . 17305 1 417 . 1 1 38 38 THR HG23 H 1 1.077 0.05 . 1 . . . . 38 THR QG2 . 17305 1 418 . 1 1 38 38 THR C C 13 173.363 0.30 . 1 . . . . 38 THR C . 17305 1 419 . 1 1 38 38 THR CA C 13 63.049 0.30 . 1 . . . . 38 THR CA . 17305 1 420 . 1 1 38 38 THR CB C 13 69.502 0.30 . 1 . . . . 38 THR CB . 17305 1 421 . 1 1 38 38 THR CG2 C 13 21.796 0.30 . 1 . . . . 38 THR CG2 . 17305 1 422 . 1 1 38 38 THR N N 15 114.566 0.10 . 1 . . . . 38 THR N . 17305 1 423 . 1 1 39 39 GLU H H 1 8.837 0.05 . 1 . . . . 39 GLU HN . 17305 1 424 . 1 1 39 39 GLU HA H 1 4.098 0.05 . 1 . . . . 39 GLU HA . 17305 1 425 . 1 1 39 39 GLU HB2 H 1 1.898 0.05 . 2 . . . . 39 GLU QB . 17305 1 426 . 1 1 39 39 GLU HB3 H 1 1.898 0.05 . 2 . . . . 39 GLU QB . 17305 1 427 . 1 1 39 39 GLU HG2 H 1 2.125 0.05 . 2 . . . . 39 GLU QG . 17305 1 428 . 1 1 39 39 GLU HG3 H 1 2.125 0.05 . 2 . . . . 39 GLU QG . 17305 1 429 . 1 1 39 39 GLU C C 13 173.975 0.30 . 1 . . . . 39 GLU C . 17305 1 430 . 1 1 39 39 GLU CA C 13 57.748 0.30 . 1 . . . . 39 GLU CA . 17305 1 431 . 1 1 39 39 GLU CB C 13 28.940 0.30 . 1 . . . . 39 GLU CB . 17305 1 432 . 1 1 39 39 GLU CG C 13 35.854 0.30 . 1 . . . . 39 GLU CG . 17305 1 433 . 1 1 39 39 GLU N N 15 121.121 0.10 . 1 . . . . 39 GLU N . 17305 1 434 . 1 1 40 40 LEU H H 1 7.691 0.05 . 1 . . . . 40 LEU HN . 17305 1 435 . 1 1 40 40 LEU HA H 1 4.174 0.05 . 1 . . . . 40 LEU HA . 17305 1 436 . 1 1 40 40 LEU HB2 H 1 1.547 0.05 . 1 . . . . 40 LEU HB2 . 17305 1 437 . 1 1 40 40 LEU HB3 H 1 1.405 0.05 . 1 . . . . 40 LEU HB3 . 17305 1 438 . 1 1 40 40 LEU HG H 1 1.428 0.05 . 1 . . . . 40 LEU HG . 17305 1 439 . 1 1 40 40 LEU HD11 H 1 0.765 0.05 . 2 . . . . 40 LEU QD1 . 17305 1 440 . 1 1 40 40 LEU HD12 H 1 0.765 0.05 . 2 . . . . 40 LEU QD1 . 17305 1 441 . 1 1 40 40 LEU HD13 H 1 0.765 0.05 . 2 . . . . 40 LEU QD1 . 17305 1 442 . 1 1 40 40 LEU HD21 H 1 0.651 0.05 . 2 . . . . 40 LEU QD2 . 17305 1 443 . 1 1 40 40 LEU HD22 H 1 0.651 0.05 . 2 . . . . 40 LEU QD2 . 17305 1 444 . 1 1 40 40 LEU HD23 H 1 0.651 0.05 . 2 . . . . 40 LEU QD2 . 17305 1 445 . 1 1 40 40 LEU C C 13 175.279 0.30 . 1 . . . . 40 LEU C . 17305 1 446 . 1 1 40 40 LEU CA C 13 55.213 0.30 . 1 . . . . 40 LEU CA . 17305 1 447 . 1 1 40 40 LEU CB C 13 42.077 0.30 . 1 . . . . 40 LEU CB . 17305 1 448 . 1 1 40 40 LEU CG C 13 27.327 0.30 . 1 . . . . 40 LEU CG . 17305 1 449 . 1 1 40 40 LEU CD1 C 13 25.944 0.30 . 1 . . . . 40 LEU CD1 . 17305 1 450 . 1 1 40 40 LEU CD2 C 13 22.948 0.30 . 1 . . . . 40 LEU CD2 . 17305 1 451 . 1 1 40 40 LEU N N 15 119.438 0.10 . 1 . . . . 40 LEU N . 17305 1 452 . 1 1 41 41 GLY H H 1 7.918 0.05 . 1 . . . . 41 GLY HN . 17305 1 453 . 1 1 41 41 GLY HA2 H 1 3.845 0.05 . 1 . . . . 41 GLY QA . 17305 1 454 . 1 1 41 41 GLY HA3 H 1 3.845 0.05 . 1 . . . . 41 GLY QA . 17305 1 455 . 1 1 41 41 GLY C C 13 171.965 0.30 . 1 . . . . 41 GLY C . 17305 1 456 . 1 1 41 41 GLY CA C 13 45.764 0.30 . 1 . . . . 41 GLY CA . 17305 1 457 . 1 1 41 41 GLY N N 15 108.372 0.10 . 1 . . . . 41 GLY N . 17305 1 458 . 1 1 42 42 GLU H H 1 8.506 0.05 . 1 . . . . 42 GLU HN . 17305 1 459 . 1 1 42 42 GLU HA H 1 4.160 0.05 . 1 . . . . 42 GLU HA . 17305 1 460 . 1 1 42 42 GLU HB2 H 1 2.039 0.05 . 1 . . . . 42 GLU HB2 . 17305 1 461 . 1 1 42 42 GLU HB3 H 1 1.836 0.05 . 1 . . . . 42 GLU HB3 . 17305 1 462 . 1 1 42 42 GLU HG2 H 1 2.178 0.05 . 1 . . . . 42 GLU QG . 17305 1 463 . 1 1 42 42 GLU HG3 H 1 2.178 0.05 . 1 . . . . 42 GLU QG . 17305 1 464 . 1 1 42 42 GLU C C 13 174.159 0.30 . 1 . . . . 42 GLU C . 17305 1 465 . 1 1 42 42 GLU CA C 13 56.827 0.30 . 1 . . . . 42 GLU CA . 17305 1 466 . 1 1 42 42 GLU CB C 13 29.401 0.30 . 1 . . . . 42 GLU CB . 17305 1 467 . 1 1 42 42 GLU CG C 13 36.315 0.30 . 1 . . . . 42 GLU CG . 17305 1 468 . 1 1 42 42 GLU N N 15 121.744 0.10 . 1 . . . . 42 GLU N . 17305 1 469 . 1 1 43 43 GLY H H 1 8.368 0.05 . 1 . . . . 43 GLY HN . 17305 1 470 . 1 1 43 43 GLY HA2 H 1 3.956 0.05 . 1 . . . . 43 GLY HA1 . 17305 1 471 . 1 1 43 43 GLY HA3 H 1 3.706 0.05 . 1 . . . . 43 GLY HA2 . 17305 1 472 . 1 1 43 43 GLY C C 13 170.938 0.30 . 1 . . . . 43 GLY C . 17305 1 473 . 1 1 43 43 GLY CA C 13 45.534 0.30 . 1 . . . . 43 GLY CA . 17305 1 474 . 1 1 43 43 GLY N N 15 108.939 0.10 . 1 . . . . 43 GLY N . 17305 1 475 . 1 1 44 44 LYS H H 1 7.464 0.05 . 1 . . . . 44 LYS HN . 17305 1 476 . 1 1 44 44 LYS HA H 1 4.117 0.05 . 1 . . . . 44 LYS HA . 17305 1 477 . 1 1 44 44 LYS HB2 H 1 1.584 0.05 . 2 . . . . 44 LYS QB . 17305 1 478 . 1 1 44 44 LYS HB3 H 1 1.584 0.05 . 2 . . . . 44 LYS QB . 17305 1 479 . 1 1 44 44 LYS HG2 H 1 1.281 0.05 . 1 . . . . 44 LYS HG2 . 17305 1 480 . 1 1 44 44 LYS HG3 H 1 1.211 0.05 . 1 . . . . 44 LYS HG3 . 17305 1 481 . 1 1 44 44 LYS HD2 H 1 1.459 0.05 . 2 . . . . 44 LYS QD . 17305 1 482 . 1 1 44 44 LYS HD3 H 1 1.459 0.05 . 2 . . . . 44 LYS QD . 17305 1 483 . 1 1 44 44 LYS HE2 H 1 2.811 0.05 . 2 . . . . 44 LYS QE . 17305 1 484 . 1 1 44 44 LYS HE3 H 1 2.811 0.05 . 2 . . . . 44 LYS QE . 17305 1 485 . 1 1 44 44 LYS C C 13 173.351 0.30 . 1 . . . . 44 LYS C . 17305 1 486 . 1 1 44 44 LYS CA C 13 56.596 0.30 . 1 . . . . 44 LYS CA . 17305 1 487 . 1 1 44 44 LYS CB C 13 33.319 0.30 . 1 . . . . 44 LYS CB . 17305 1 488 . 1 1 44 44 LYS CG C 13 24.561 0.30 . 1 . . . . 44 LYS CG . 17305 1 489 . 1 1 44 44 LYS CD C 13 28.940 0.30 . 1 . . . . 44 LYS CD . 17305 1 490 . 1 1 44 44 LYS CE C 13 41.846 0.30 . 1 . . . . 44 LYS CE . 17305 1 491 . 1 1 44 44 LYS N N 15 118.892 0.10 . 1 . . . . 44 LYS N . 17305 1 492 . 1 1 45 45 ILE H H 1 7.990 0.05 . 1 . . . . 45 ILE HN . 17305 1 493 . 1 1 45 45 ILE HA H 1 3.825 0.05 . 1 . . . . 45 ILE HA . 17305 1 494 . 1 1 45 45 ILE HB H 1 1.425 0.05 . 1 . . . . 45 ILE HB . 17305 1 495 . 1 1 45 45 ILE HG12 H 1 1.230 0.05 . 1 . . . . 45 ILE HG12 . 17305 1 496 . 1 1 45 45 ILE HG13 H 1 0.181 0.05 . 1 . . . . 45 ILE HG13 . 17305 1 497 . 1 1 45 45 ILE HG21 H 1 0.546 0.05 . 1 . . . . 45 ILE QG2 . 17305 1 498 . 1 1 45 45 ILE HG22 H 1 0.546 0.05 . 1 . . . . 45 ILE QG2 . 17305 1 499 . 1 1 45 45 ILE HG23 H 1 0.546 0.05 . 1 . . . . 45 ILE QG2 . 17305 1 500 . 1 1 45 45 ILE HD11 H 1 0.523 0.05 . 1 . . . . 45 ILE QD1 . 17305 1 501 . 1 1 45 45 ILE HD12 H 1 0.523 0.05 . 1 . . . . 45 ILE QD1 . 17305 1 502 . 1 1 45 45 ILE HD13 H 1 0.523 0.05 . 1 . . . . 45 ILE QD1 . 17305 1 503 . 1 1 45 45 ILE C C 13 171.249 0.30 . 1 . . . . 45 ILE C . 17305 1 504 . 1 1 45 45 ILE CA C 13 58.440 0.30 . 1 . . . . 45 ILE CA . 17305 1 505 . 1 1 45 45 ILE CB C 13 39.311 0.30 . 1 . . . . 45 ILE CB . 17305 1 506 . 1 1 45 45 ILE CG1 C 13 27.327 0.30 . 1 . . . . 45 ILE CG1 . 17305 1 507 . 1 1 45 45 ILE CG2 C 13 16.956 0.30 . 1 . . . . 45 ILE CG2 . 17305 1 508 . 1 1 45 45 ILE CD1 C 13 13.268 0.30 . 1 . . . . 45 ILE CD1 . 17305 1 509 . 1 1 45 45 ILE N N 15 122.530 0.10 . 1 . . . . 45 ILE N . 17305 1 510 . 1 1 46 46 PRO HA H 1 4.328 0.05 . 1 . . . . 46 PRO HA . 17305 1 511 . 1 1 46 46 PRO HB2 H 1 2.250 0.05 . 1 . . . . 46 PRO HB2 . 17305 1 512 . 1 1 46 46 PRO HB3 H 1 1.862 0.05 . 1 . . . . 46 PRO HB3 . 17305 1 513 . 1 1 46 46 PRO HG2 H 1 1.971 0.05 . 1 . . . . 46 PRO HG2 . 17305 1 514 . 1 1 46 46 PRO HG3 H 1 1.867 0.05 . 1 . . . . 46 PRO HG3 . 17305 1 515 . 1 1 46 46 PRO HD2 H 1 3.735 0.05 . 1 . . . . 46 PRO HD2 . 17305 1 516 . 1 1 46 46 PRO HD3 H 1 3.326 0.05 . 1 . . . . 46 PRO HD3 . 17305 1 517 . 1 1 46 46 PRO C C 13 175.637 0.30 . 1 . . . . 46 PRO C . 17305 1 518 . 1 1 46 46 PRO CA C 13 62.819 0.30 . 1 . . . . 46 PRO CA . 17305 1 519 . 1 1 46 46 PRO CB C 13 31.936 0.30 . 1 . . . . 46 PRO CB . 17305 1 520 . 1 1 46 46 PRO CG C 13 27.557 0.30 . 1 . . . . 46 PRO CG . 17305 1 521 . 1 1 46 46 PRO CD C 13 51.065 0.30 . 1 . . . . 46 PRO CD . 17305 1 522 . 1 1 47 47 TRP H H 1 8.854 0.05 . 1 . . . . 47 TRP HN . 17305 1 523 . 1 1 47 47 TRP HA H 1 4.179 0.05 . 1 . . . . 47 TRP HA . 17305 1 524 . 1 1 47 47 TRP HB2 H 1 3.322 0.05 . 1 . . . . 47 TRP HB2 . 17305 1 525 . 1 1 47 47 TRP HB3 H 1 3.073 0.05 . 1 . . . . 47 TRP HB3 . 17305 1 526 . 1 1 47 47 TRP HD1 H 1 7.157 0.05 . 1 . . . . 47 TRP HD1 . 17305 1 527 . 1 1 47 47 TRP HE1 H 1 9.992 0.05 . 1 . . . . 47 TRP HE1 . 17305 1 528 . 1 1 47 47 TRP HE3 H 1 7.486 0.05 . 1 . . . . 47 TRP HE3 . 17305 1 529 . 1 1 47 47 TRP HZ2 H 1 7.450 0.05 . 1 . . . . 47 TRP HZ2 . 17305 1 530 . 1 1 47 47 TRP HZ3 H 1 6.908 0.05 . 1 . . . . 47 TRP HZ3 . 17305 1 531 . 1 1 47 47 TRP HH2 H 1 7.098 0.05 . 1 . . . . 47 TRP HH2 . 17305 1 532 . 1 1 47 47 TRP C C 13 175.648 0.30 . 1 . . . . 47 TRP C . 17305 1 533 . 1 1 47 47 TRP CA C 13 60.284 0.30 . 1 . . . . 47 TRP CA . 17305 1 534 . 1 1 47 47 TRP CB C 13 29.285 0.30 . 1 . . . . 47 TRP CB . 17305 1 535 . 1 1 47 47 TRP N N 15 126.390 0.10 . 1 . . . . 47 TRP N . 17305 1 536 . 1 1 47 47 TRP NE1 N 15 128.740 0.10 . 1 . . . . 47 TRP NE1 . 17305 1 537 . 1 1 48 48 GLY H H 1 8.985 0.05 . 1 . . . . 48 GLY HN . 17305 1 538 . 1 1 48 48 GLY HA2 H 1 3.781 0.05 . 1 . . . . 48 GLY HA1 . 17305 1 539 . 1 1 48 48 GLY HA3 H 1 3.617 0.05 . 1 . . . . 48 GLY HA2 . 17305 1 540 . 1 1 48 48 GLY C C 13 173.467 0.30 . 1 . . . . 48 GLY C . 17305 1 541 . 1 1 48 48 GLY CA C 13 46.686 0.30 . 1 . . . . 48 GLY CA . 17305 1 542 . 1 1 48 48 GLY N N 15 104.784 0.10 . 1 . . . . 48 GLY N . 17305 1 543 . 1 1 49 49 SER H H 1 7.348 0.05 . 1 . . . . 49 SER HN . 17305 1 544 . 1 1 49 49 SER HA H 1 4.257 0.05 . 1 . . . . 49 SER HA . 17305 1 545 . 1 1 49 49 SER HB2 H 1 3.752 0.05 . 2 . . . . 49 SER QB . 17305 1 546 . 1 1 49 49 SER HB3 H 1 3.752 0.05 . 2 . . . . 49 SER QB . 17305 1 547 . 1 1 49 49 SER CA C 13 60.284 0.30 . 1 . . . . 49 SER CA . 17305 1 548 . 1 1 49 49 SER CB C 13 63.049 0.30 . 1 . . . . 49 SER CB . 17305 1 549 . 1 1 49 49 SER N N 15 114.081 0.10 . 1 . . . . 49 SER N . 17305 1 550 . 1 1 50 50 MET H H 1 7.360 0.05 . 1 . . . . 50 MET HN . 17305 1 551 . 1 1 50 50 MET HA H 1 4.102 0.05 . 1 . . . . 50 MET HA . 17305 1 552 . 1 1 50 50 MET HB2 H 1 1.755 0.05 . 1 . . . . 50 MET HB2 . 17305 1 553 . 1 1 50 50 MET HB3 H 1 1.602 0.05 . 1 . . . . 50 MET HB3 . 17305 1 554 . 1 1 50 50 MET HG2 H 1 2.136 0.05 . 1 . . . . 50 MET HG2 . 17305 1 555 . 1 1 50 50 MET HG3 H 1 1.987 0.05 . 1 . . . . 50 MET HG3 . 17305 1 556 . 1 1 50 50 MET C C 13 174.610 0.30 . 1 . . . . 50 MET C . 17305 1 557 . 1 1 50 50 MET CA C 13 56.366 0.30 . 1 . . . . 50 MET CA . 17305 1 558 . 1 1 50 50 MET CB C 13 34.932 0.30 . 1 . . . . 50 MET CB . 17305 1 559 . 1 1 50 50 MET CG C 13 31.706 0.30 . 1 . . . . 50 MET CG . 17305 1 560 . 1 1 50 50 MET N N 15 116.490 0.10 . 1 . . . . 50 MET N . 17305 1 561 . 1 1 51 51 GLU H H 1 7.630 0.05 . 1 . . . . 51 GLU HN . 17305 1 562 . 1 1 51 51 GLU HA H 1 3.026 0.05 . 1 . . . . 51 GLU HA . 17305 1 563 . 1 1 51 51 GLU HB2 H 1 1.523 0.05 . 1 . . . . 51 GLU HB2 . 17305 1 564 . 1 1 51 51 GLU HB3 H 1 1.336 0.05 . 1 . . . . 51 GLU HB3 . 17305 1 565 . 1 1 51 51 GLU HG2 H 1 2.079 0.05 . 1 . . . . 51 GLU HG2 . 17305 1 566 . 1 1 51 51 GLU HG3 H 1 1.888 0.05 . 1 . . . . 51 GLU HG3 . 17305 1 567 . 1 1 51 51 GLU C C 13 174.933 0.30 . 1 . . . . 51 GLU C . 17305 1 568 . 1 1 51 51 GLU CA C 13 60.744 0.30 . 1 . . . . 51 GLU CA . 17305 1 569 . 1 1 51 51 GLU CB C 13 29.401 0.30 . 1 . . . . 51 GLU CB . 17305 1 570 . 1 1 51 51 GLU CG C 13 35.624 0.30 . 1 . . . . 51 GLU CG . 17305 1 571 . 1 1 51 51 GLU N N 15 121.738 0.10 . 1 . . . . 51 GLU N . 17305 1 572 . 1 1 52 52 LYS H H 1 8.164 0.05 . 1 . . . . 52 LYS HN . 17305 1 573 . 1 1 52 52 LYS HA H 1 4.221 0.05 . 1 . . . . 52 LYS HA . 17305 1 574 . 1 1 52 52 LYS HB2 H 1 1.862 0.05 . 1 . . . . 52 LYS HB2 . 17305 1 575 . 1 1 52 52 LYS HB3 H 1 1.484 0.05 . 1 . . . . 52 LYS HB3 . 17305 1 576 . 1 1 52 52 LYS HG2 H 1 1.235 0.05 . 2 . . . . 52 LYS QG . 17305 1 577 . 1 1 52 52 LYS HG3 H 1 1.235 0.05 . 2 . . . . 52 LYS QG . 17305 1 578 . 1 1 52 52 LYS HD2 H 1 1.519 0.05 . 2 . . . . 52 LYS QD . 17305 1 579 . 1 1 52 52 LYS HD3 H 1 1.519 0.05 . 2 . . . . 52 LYS QD . 17305 1 580 . 1 1 52 52 LYS HE2 H 1 2.837 0.05 . 2 . . . . 52 LYS QE . 17305 1 581 . 1 1 52 52 LYS HE3 H 1 2.837 0.05 . 2 . . . . 52 LYS QE . 17305 1 582 . 1 1 52 52 LYS C C 13 173.455 0.30 . 1 . . . . 52 LYS C . 17305 1 583 . 1 1 52 52 LYS CA C 13 55.444 0.30 . 1 . . . . 52 LYS CA . 17305 1 584 . 1 1 52 52 LYS CB C 13 31.936 0.30 . 1 . . . . 52 LYS CB . 17305 1 585 . 1 1 52 52 LYS CG C 13 25.253 0.30 . 1 . . . . 52 LYS CG . 17305 1 586 . 1 1 52 52 LYS CD C 13 28.940 0.30 . 1 . . . . 52 LYS CD . 17305 1 587 . 1 1 52 52 LYS CE C 13 42.077 0.30 . 1 . . . . 52 LYS CE . 17305 1 588 . 1 1 52 52 LYS N N 15 114.954 0.10 . 1 . . . . 52 LYS N . 17305 1 589 . 1 1 53 53 ALA H H 1 6.898 0.05 . 1 . . . . 53 ALA HN . 17305 1 590 . 1 1 53 53 ALA HA H 1 4.018 0.05 . 1 . . . . 53 ALA HA . 17305 1 591 . 1 1 53 53 ALA HB1 H 1 1.201 0.05 . 1 . . . . 53 ALA QB . 17305 1 592 . 1 1 53 53 ALA HB2 H 1 1.201 0.05 . 1 . . . . 53 ALA QB . 17305 1 593 . 1 1 53 53 ALA HB3 H 1 1.201 0.05 . 1 . . . . 53 ALA QB . 17305 1 594 . 1 1 53 53 ALA C C 13 175.684 0.30 . 1 . . . . 53 ALA C . 17305 1 595 . 1 1 53 53 ALA CA C 13 52.909 0.30 . 1 . . . . 53 ALA CA . 17305 1 596 . 1 1 53 53 ALA CB C 13 19.491 0.30 . 1 . . . . 53 ALA CB . 17305 1 597 . 1 1 53 53 ALA N N 15 122.398 0.10 . 1 . . . . 53 ALA N . 17305 1 598 . 1 1 54 54 GLY H H 1 8.487 0.05 . 1 . . . . 54 GLY HN . 17305 1 599 . 1 1 54 54 GLY HA2 H 1 4.338 0.05 . 1 . . . . 54 GLY HA1 . 17305 1 600 . 1 1 54 54 GLY HA3 H 1 3.861 0.05 . 1 . . . . 54 GLY HA2 . 17305 1 601 . 1 1 54 54 GLY C C 13 179.598 0.30 . 1 . . . . 54 GLY C . 17305 1 602 . 1 1 54 54 GLY CA C 13 43.920 0.30 . 1 . . . . 54 GLY CA . 17305 1 603 . 1 1 54 54 GLY N N 15 112.222 0.10 . 1 . . . . 54 GLY N . 17305 1 604 . 1 1 55 55 PRO HA H 1 3.712 0.05 . 1 . . . . 55 PRO HA . 17305 1 605 . 1 1 55 55 PRO HB2 H 1 2.059 0.05 . 1 . . . . 55 PRO HB2 . 17305 1 606 . 1 1 55 55 PRO HB3 H 1 1.934 0.05 . 1 . . . . 55 PRO HB3 . 17305 1 607 . 1 1 55 55 PRO HG2 H 1 2.148 0.05 . 1 . . . . 55 PRO HG2 . 17305 1 608 . 1 1 55 55 PRO HG3 H 1 1.664 0.05 . 1 . . . . 55 PRO HG3 . 17305 1 609 . 1 1 55 55 PRO HD2 H 1 3.733 0.05 . 1 . . . . 55 PRO HD2 . 17305 1 610 . 1 1 55 55 PRO HD3 H 1 3.441 0.05 . 1 . . . . 55 PRO HD3 . 17305 1 611 . 1 1 55 55 PRO C C 13 174.298 0.30 . 1 . . . . 55 PRO C . 17305 1 612 . 1 1 55 55 PRO CA C 13 66.967 0.30 . 1 . . . . 55 PRO CA . 17305 1 613 . 1 1 55 55 PRO CB C 13 32.397 0.30 . 1 . . . . 55 PRO CB . 17305 1 614 . 1 1 55 55 PRO CG C 13 28.018 0.30 . 1 . . . . 55 PRO CG . 17305 1 615 . 1 1 55 55 PRO CD C 13 48.760 0.30 . 1 . . . . 55 PRO CD . 17305 1 616 . 1 1 56 56 LEU H H 1 8.131 0.05 . 1 . . . . 56 LEU HN . 17305 1 617 . 1 1 56 56 LEU HA H 1 4.004 0.05 . 1 . . . . 56 LEU HA . 17305 1 618 . 1 1 56 56 LEU HB2 H 1 1.543 0.05 . 2 . . . . 56 LEU QB . 17305 1 619 . 1 1 56 56 LEU HB3 H 1 1.543 0.05 . 2 . . . . 56 LEU QB . 17305 1 620 . 1 1 56 56 LEU HG H 1 1.478 0.05 . 1 . . . . 56 LEU HG . 17305 1 621 . 1 1 56 56 LEU HD11 H 1 0.783 0.05 . 2 . . . . 56 LEU QD1 . 17305 1 622 . 1 1 56 56 LEU HD12 H 1 0.783 0.05 . 2 . . . . 56 LEU QD1 . 17305 1 623 . 1 1 56 56 LEU HD13 H 1 0.783 0.05 . 2 . . . . 56 LEU QD1 . 17305 1 624 . 1 1 56 56 LEU HD21 H 1 0.837 0.05 . 2 . . . . 56 LEU QD2 . 17305 1 625 . 1 1 56 56 LEU HD22 H 1 0.837 0.05 . 2 . . . . 56 LEU QD2 . 17305 1 626 . 1 1 56 56 LEU HD23 H 1 0.837 0.05 . 2 . . . . 56 LEU QD2 . 17305 1 627 . 1 1 56 56 LEU C C 13 176.266 0.30 . 1 . . . . 56 LEU C . 17305 1 628 . 1 1 56 56 LEU CA C 13 58.440 0.30 . 1 . . . . 56 LEU CA . 17305 1 629 . 1 1 56 56 LEU CB C 13 40.924 0.30 . 1 . . . . 56 LEU CB . 17305 1 630 . 1 1 56 56 LEU CG C 13 27.557 0.30 . 1 . . . . 56 LEU CG . 17305 1 631 . 1 1 56 56 LEU CD1 C 13 25.253 0.30 . 1 . . . . 56 LEU CD1 . 17305 1 632 . 1 1 56 56 LEU CD2 C 13 23.409 0.30 . 1 . . . . 56 LEU CD2 . 17305 1 633 . 1 1 56 56 LEU N N 15 118.125 0.10 . 1 . . . . 56 LEU N . 17305 1 634 . 1 1 57 57 GLU H H 1 7.910 0.05 . 1 . . . . 57 GLU HN . 17305 1 635 . 1 1 57 57 GLU HA H 1 3.921 0.05 . 1 . . . . 57 GLU HA . 17305 1 636 . 1 1 57 57 GLU HB2 H 1 2.003 0.05 . 1 . . . . 57 GLU HB2 . 17305 1 637 . 1 1 57 57 GLU HB3 H 1 1.812 0.05 . 1 . . . . 57 GLU HB3 . 17305 1 638 . 1 1 57 57 GLU HG2 H 1 2.285 0.05 . 1 . . . . 57 GLU HG2 . 17305 1 639 . 1 1 57 57 GLU HG3 H 1 2.179 0.05 . 1 . . . . 57 GLU HG3 . 17305 1 640 . 1 1 57 57 GLU C C 13 177.116 0.30 . 1 . . . . 57 GLU C . 17305 1 641 . 1 1 57 57 GLU CA C 13 59.823 0.30 . 1 . . . . 57 GLU CA . 17305 1 642 . 1 1 57 57 GLU CB C 13 29.170 0.30 . 1 . . . . 57 GLU CB . 17305 1 643 . 1 1 57 57 GLU CG C 13 36.776 0.30 . 1 . . . . 57 GLU CG . 17305 1 644 . 1 1 57 57 GLU N N 15 118.898 0.10 . 1 . . . . 57 GLU N . 17305 1 645 . 1 1 58 58 MET H H 1 8.969 0.05 . 1 . . . . 58 MET HN . 17305 1 646 . 1 1 58 58 MET HA H 1 4.305 0.05 . 1 . . . . 58 MET HA . 17305 1 647 . 1 1 58 58 MET HB2 H 1 2.024 0.05 . 1 . . . . 58 MET HB2 . 17305 1 648 . 1 1 58 58 MET HB3 H 1 1.770 0.05 . 1 . . . . 58 MET HB3 . 17305 1 649 . 1 1 58 58 MET HG2 H 1 2.476 0.05 . 1 . . . . 58 MET HG2 . 17305 1 650 . 1 1 58 58 MET HG3 H 1 2.138 0.05 . 1 . . . . 58 MET HG3 . 17305 1 651 . 1 1 58 58 MET C C 13 174.864 0.30 . 1 . . . . 58 MET C . 17305 1 652 . 1 1 58 58 MET CA C 13 55.905 0.30 . 1 . . . . 58 MET CA . 17305 1 653 . 1 1 58 58 MET CB C 13 31.245 0.30 . 1 . . . . 58 MET CB . 17305 1 654 . 1 1 58 58 MET CG C 13 32.627 0.30 . 1 . . . . 58 MET CG . 17305 1 655 . 1 1 58 58 MET N N 15 118.180 0.10 . 1 . . . . 58 MET N . 17305 1 656 . 1 1 59 59 ALA H H 1 8.137 0.05 . 1 . . . . 59 ALA HN . 17305 1 657 . 1 1 59 59 ALA HA H 1 3.799 0.05 . 1 . . . . 59 ALA HA . 17305 1 658 . 1 1 59 59 ALA HB1 H 1 1.437 0.05 . 1 . . . . 59 ALA QB . 17305 1 659 . 1 1 59 59 ALA HB2 H 1 1.437 0.05 . 1 . . . . 59 ALA QB . 17305 1 660 . 1 1 59 59 ALA HB3 H 1 1.437 0.05 . 1 . . . . 59 ALA QB . 17305 1 661 . 1 1 59 59 ALA C C 13 178.407 0.30 . 1 . . . . 59 ALA C . 17305 1 662 . 1 1 59 59 ALA CA C 13 55.790 0.30 . 1 . . . . 59 ALA CA . 17305 1 663 . 1 1 59 59 ALA CB C 13 18.799 0.30 . 1 . . . . 59 ALA CB . 17305 1 664 . 1 1 59 59 ALA N N 15 122.286 0.10 . 1 . . . . 59 ALA N . 17305 1 665 . 1 1 60 60 GLN H H 1 7.994 0.05 . 1 . . . . 60 GLU HN . 17305 1 666 . 1 1 60 60 GLN HA H 1 3.843 0.05 . 1 . . . . 60 GLU HA . 17305 1 667 . 1 1 60 60 GLN HB2 H 1 2.117 0.05 . 1 . . . . 60 GLU HB2 . 17305 1 668 . 1 1 60 60 GLN HB3 H 1 1.995 0.05 . 1 . . . . 60 GLU HB3 . 17305 1 669 . 1 1 60 60 GLN HG2 H 1 2.335 0.05 . 1 . . . . 60 GLU HG2 . 17305 1 670 . 1 1 60 60 GLN HG3 H 1 2.264 0.05 . 1 . . . . 60 GLU HG3 . 17305 1 671 . 1 1 60 60 GLN NE2 N 15 110.472 0.05 . 1 . . . . 60 GLU HE2 . 17305 1 672 . 1 1 60 60 GLN HE21 H 1 5.944 0.05 . 1 . . . . 60 GLU HE21 . 17305 1 673 . 1 1 60 60 GLN HE22 H 1 5.511 0.05 . 1 . . . . 60 GLU HE21 . 17305 1 674 . 1 1 60 60 GLN C C 13 175.995 0.30 . 1 . . . . 60 GLU C . 17305 1 675 . 1 1 60 60 GLN CA C 13 58.901 0.30 . 1 . . . . 60 GLU CA . 17305 1 676 . 1 1 60 60 GLN CB C 13 28.479 0.30 . 1 . . . . 60 GLU CB . 17305 1 677 . 1 1 60 60 GLN CG C 13 34.010 0.30 . 1 . . . . 60 GLU CG . 17305 1 678 . 1 1 60 60 GLN N N 15 115.648 0.10 . 1 . . . . 60 GLU N . 17305 1 679 . 1 1 61 61 LEU H H 1 8.438 0.05 . 1 . . . . 61 LEU HN . 17305 1 680 . 1 1 61 61 LEU HA H 1 4.037 0.05 . 1 . . . . 61 LEU HA . 17305 1 681 . 1 1 61 61 LEU HB2 H 1 1.898 0.05 . 1 . . . . 61 LEU HB2 . 17305 1 682 . 1 1 61 61 LEU HB3 H 1 1.475 0.05 . 1 . . . . 61 LEU HB3 . 17305 1 683 . 1 1 61 61 LEU HG H 1 1.655 0.05 . 1 . . . . 61 LEU HG . 17305 1 684 . 1 1 61 61 LEU HD11 H 1 0.751 0.05 . 2 . . . . 61 LEU QD1 . 17305 1 685 . 1 1 61 61 LEU HD12 H 1 0.751 0.05 . 2 . . . . 61 LEU QD1 . 17305 1 686 . 1 1 61 61 LEU HD13 H 1 0.751 0.05 . 2 . . . . 61 LEU QD1 . 17305 1 687 . 1 1 61 61 LEU HD21 H 1 0.701 0.05 . 2 . . . . 61 LEU QD2 . 17305 1 688 . 1 1 61 61 LEU HD22 H 1 0.701 0.05 . 2 . . . . 61 LEU QD2 . 17305 1 689 . 1 1 61 61 LEU HD23 H 1 0.701 0.05 . 2 . . . . 61 LEU QD2 . 17305 1 690 . 1 1 61 61 LEU C C 13 176.667 0.30 . 1 . . . . 61 LEU C . 17305 1 691 . 1 1 61 61 LEU CA C 13 58.440 0.30 . 1 . . . . 61 LEU CA . 17305 1 692 . 1 1 61 61 LEU CB C 13 42.538 0.30 . 1 . . . . 61 LEU CB . 17305 1 693 . 1 1 61 61 LEU CG C 13 27.096 0.30 . 1 . . . . 61 LEU CG . 17305 1 694 . 1 1 61 61 LEU CD1 C 13 24.561 0.30 . 1 . . . . 61 LEU CD1 . 17305 1 695 . 1 1 61 61 LEU CD2 C 13 25.253 0.30 . 1 . . . . 61 LEU CD2 . 17305 1 696 . 1 1 61 61 LEU N N 15 121.919 0.10 . 1 . . . . 61 LEU N . 17305 1 697 . 1 1 62 62 LEU H H 1 8.340 0.05 . 1 . . . . 62 LEU HN . 17305 1 698 . 1 1 62 62 LEU HA H 1 4.047 0.05 . 1 . . . . 62 LEU HA . 17305 1 699 . 1 1 62 62 LEU HB2 H 1 2.094 0.05 . 1 . . . . 62 LEU HB2 . 17305 1 700 . 1 1 62 62 LEU HB3 H 1 1.429 0.05 . 1 . . . . 62 LEU HB3 . 17305 1 701 . 1 1 62 62 LEU HG H 1 1.959 0.05 . 1 . . . . 62 LEU HG . 17305 1 702 . 1 1 62 62 LEU HD11 H 1 0.952 0.05 . 2 . . . . 62 LEU QD1 . 17305 1 703 . 1 1 62 62 LEU HD12 H 1 0.952 0.05 . 2 . . . . 62 LEU QD1 . 17305 1 704 . 1 1 62 62 LEU HD13 H 1 0.952 0.05 . 2 . . . . 62 LEU QD1 . 17305 1 705 . 1 1 62 62 LEU HD21 H 1 0.924 0.05 . 2 . . . . 62 LEU QD2 . 17305 1 706 . 1 1 62 62 LEU HD22 H 1 0.924 0.05 . 2 . . . . 62 LEU QD2 . 17305 1 707 . 1 1 62 62 LEU HD23 H 1 0.924 0.05 . 2 . . . . 62 LEU QD2 . 17305 1 708 . 1 1 62 62 LEU C C 13 176.111 0.30 . 1 . . . . 62 LEU C . 17305 1 709 . 1 1 62 62 LEU CA C 13 58.670 0.30 . 1 . . . . 62 LEU CA . 17305 1 710 . 1 1 62 62 LEU CB C 13 42.538 0.30 . 1 . . . . 62 LEU CB . 17305 1 711 . 1 1 62 62 LEU CG C 13 28.249 0.30 . 1 . . . . 62 LEU CG . 17305 1 712 . 1 1 62 62 LEU CD1 C 13 25.944 0.30 . 1 . . . . 62 LEU CD1 . 17305 1 713 . 1 1 62 62 LEU CD2 C 13 23.870 0.30 . 1 . . . . 62 LEU CD2 . 17305 1 714 . 1 1 62 62 LEU N N 15 118.271 0.10 . 1 . . . . 62 LEU N . 17305 1 715 . 1 1 63 63 ILE H H 1 8.060 0.05 . 1 . . . . 63 ILE HN . 17305 1 716 . 1 1 63 63 ILE HA H 1 3.308 0.05 . 1 . . . . 63 ILE HA . 17305 1 717 . 1 1 63 63 ILE HB H 1 1.777 0.05 . 1 . . . . 63 ILE HB . 17305 1 718 . 1 1 63 63 ILE HG12 H 1 1.648 0.05 . 1 . . . . 63 ILE HG12 . 17305 1 719 . 1 1 63 63 ILE HG13 H 1 0.807 0.05 . 1 . . . . 63 ILE HG13 . 17305 1 720 . 1 1 63 63 ILE HG21 H 1 0.744 0.05 . 1 . . . . 63 ILE QG2 . 17305 1 721 . 1 1 63 63 ILE HG22 H 1 0.744 0.05 . 1 . . . . 63 ILE QG2 . 17305 1 722 . 1 1 63 63 ILE HG23 H 1 0.744 0.05 . 1 . . . . 63 ILE QG2 . 17305 1 723 . 1 1 63 63 ILE HD11 H 1 0.716 0.05 . 1 . . . . 63 ILE QD1 . 17305 1 724 . 1 1 63 63 ILE HD12 H 1 0.716 0.05 . 1 . . . . 63 ILE QD1 . 17305 1 725 . 1 1 63 63 ILE HD13 H 1 0.716 0.05 . 1 . . . . 63 ILE QD1 . 17305 1 726 . 1 1 63 63 ILE C C 13 176.688 0.30 . 1 . . . . 63 ILE C . 17305 1 727 . 1 1 63 63 ILE CA C 13 65.584 0.30 . 1 . . . . 63 ILE CA . 17305 1 728 . 1 1 63 63 ILE CB C 13 37.698 0.30 . 1 . . . . 63 ILE CB . 17305 1 729 . 1 1 63 63 ILE CG1 C 13 30.553 0.30 . 1 . . . . 63 ILE CG1 . 17305 1 730 . 1 1 63 63 ILE CG2 C 13 17.417 0.30 . 1 . . . . 63 ILE CG2 . 17305 1 731 . 1 1 63 63 ILE CD1 C 13 13.268 0.30 . 1 . . . . 63 ILE CD1 . 17305 1 732 . 1 1 63 63 ILE N N 15 119.557 0.10 . 1 . . . . 63 ILE N . 17305 1 733 . 1 1 64 64 THR H H 1 8.772 0.05 . 1 . . . . 64 THR HN . 17305 1 734 . 1 1 64 64 THR HA H 1 3.750 0.05 . 1 . . . . 64 THR HA . 17305 1 735 . 1 1 64 64 THR HB H 1 4.128 0.05 . 1 . . . . 64 THR HB . 17305 1 736 . 1 1 64 64 THR HG21 H 1 0.925 0.05 . 1 . . . . 64 THR QG2 . 17305 1 737 . 1 1 64 64 THR HG22 H 1 0.925 0.05 . 1 . . . . 64 THR QG2 . 17305 1 738 . 1 1 64 64 THR HG23 H 1 0.925 0.05 . 1 . . . . 64 THR QG2 . 17305 1 739 . 1 1 64 64 THR C C 13 172.889 0.30 . 1 . . . . 64 THR C . 17305 1 740 . 1 1 64 64 THR CA C 13 66.737 0.30 . 1 . . . . 64 THR CA . 17305 1 741 . 1 1 64 64 THR CB C 13 68.811 0.30 . 1 . . . . 64 THR CB . 17305 1 742 . 1 1 64 64 THR CG2 C 13 21.335 0.30 . 1 . . . . 64 THR CG2 . 17305 1 743 . 1 1 64 64 THR N N 15 118.348 0.10 . 1 . . . . 64 THR N . 17305 1 744 . 1 1 65 65 HIS H H 1 8.002 0.05 . 1 . . . . 65 HIS HN . 17305 1 745 . 1 1 65 65 HIS HA H 1 3.951 0.05 . 1 . . . . 65 HIS HA . 17305 1 746 . 1 1 65 65 HIS HB2 H 1 2.548 0.05 . 1 . . . . 65 HIS HB2 . 17305 1 747 . 1 1 65 65 HIS HB3 H 1 2.095 0.05 . 1 . . . . 65 HIS HB3 . 17305 1 748 . 1 1 65 65 HIS HD2 H 1 6.345 0.05 . 1 . . . . 65 HIS HD2 . 17305 1 749 . 1 1 65 65 HIS HE1 H 1 7.446 0.05 . 1 . . . . 65 HIS HE1 . 17305 1 750 . 1 1 65 65 HIS C C 13 173.836 0.30 . 1 . . . . 65 HIS C . 17305 1 751 . 1 1 65 65 HIS CA C 13 59.823 0.30 . 1 . . . . 65 HIS CA . 17305 1 752 . 1 1 65 65 HIS CB C 13 30.092 0.30 . 1 . . . . 65 HIS CB . 17305 1 753 . 1 1 65 65 HIS N N 15 117.026 0.10 . 1 . . . . 65 HIS N . 17305 1 754 . 1 1 66 66 PHE H H 1 8.241 0.05 . 1 . . . . 66 PHE HN . 17305 1 755 . 1 1 66 66 PHE HA H 1 4.745 0.05 . 1 . . . . 66 PHE HA . 17305 1 756 . 1 1 66 66 PHE HB2 H 1 3.145 0.05 . 1 . . . . 66 PHE HB2 . 17305 1 757 . 1 1 66 66 PHE HB3 H 1 2.770 0.05 . 1 . . . . 66 PHE HB3 . 17305 1 758 . 1 1 66 66 PHE HD1 H 1 7.443 0.05 . 1 . . . . 66 PHE QD . 17305 1 759 . 1 1 66 66 PHE HD2 H 1 7.443 0.05 . 1 . . . . 66 PHE QD . 17305 1 760 . 1 1 66 66 PHE HE1 H 1 7.205 0.05 . 1 . . . . 66 PHE QE . 17305 1 761 . 1 1 66 66 PHE HE2 H 1 7.205 0.05 . 1 . . . . 66 PHE QE . 17305 1 762 . 1 1 66 66 PHE HZ H 1 7.171 0.05 . 1 . . . . 66 PHE HZ . 17305 1 763 . 1 1 66 66 PHE C C 13 174.367 0.30 . 1 . . . . 66 PHE C . 17305 1 764 . 1 1 66 66 PHE CA C 13 58.440 0.30 . 1 . . . . 66 PHE CA . 17305 1 765 . 1 1 66 66 PHE CB C 13 40.694 0.30 . 1 . . . . 66 PHE CB . 17305 1 766 . 1 1 66 66 PHE N N 15 113.027 0.10 . 1 . . . . 66 PHE N . 17305 1 767 . 1 1 67 67 GLY H H 1 7.885 0.05 . 1 . . . . 67 GLY HN . 17305 1 768 . 1 1 67 67 GLY HA2 H 1 4.530 0.05 . 1 . . . . 67 GLY HA1 . 17305 1 769 . 1 1 67 67 GLY HA3 H 1 4.094 0.05 . 1 . . . . 67 GLY HA2 . 17305 1 770 . 1 1 67 67 GLY C C 13 179.737 0.30 . 1 . . . . 67 GLY C . 17305 1 771 . 1 1 67 67 GLY CA C 13 44.381 0.30 . 1 . . . . 67 GLY CA . 17305 1 772 . 1 1 67 67 GLY N N 15 110.585 0.10 . 1 . . . . 67 GLY N . 17305 1 773 . 1 1 68 68 PRO HA H 1 4.095 0.05 . 1 . . . . 68 PRO HA . 17305 1 774 . 1 1 68 68 PRO HB2 H 1 2.276 0.05 . 1 . . . . 68 PRO HB2 . 17305 1 775 . 1 1 68 68 PRO HB3 H 1 1.980 0.05 . 1 . . . . 68 PRO HB3 . 17305 1 776 . 1 1 68 68 PRO HG2 H 1 2.184 0.05 . 1 . . . . 68 PRO HG2 . 17305 1 777 . 1 1 68 68 PRO HG3 H 1 1.984 0.05 . 1 . . . . 68 PRO HG3 . 17305 1 778 . 1 1 68 68 PRO HD2 H 1 3.828 0.05 . 1 . . . . 68 PRO HD2 . 17305 1 779 . 1 1 68 68 PRO HD3 H 1 3.609 0.05 . 1 . . . . 68 PRO HD3 . 17305 1 780 . 1 1 68 68 PRO C C 13 176.273 0.30 . 1 . . . . 68 PRO C . 17305 1 781 . 1 1 68 68 PRO CA C 13 66.506 0.30 . 1 . . . . 68 PRO CA . 17305 1 782 . 1 1 68 68 PRO CB C 13 31.936 0.30 . 1 . . . . 68 PRO CB . 17305 1 783 . 1 1 68 68 PRO CG C 13 28.018 0.30 . 1 . . . . 68 PRO CG . 17305 1 784 . 1 1 68 68 PRO CD C 13 49.452 0.30 . 1 . . . . 68 PRO CD . 17305 1 785 . 1 1 69 69 GLU H H 1 8.291 0.05 . 1 . . . . 69 GLU HN . 17305 1 786 . 1 1 69 69 GLU HA H 1 4.104 0.05 . 1 . . . . 69 GLU HA . 17305 1 787 . 1 1 69 69 GLU HB2 H 1 2.014 0.05 . 2 . . . . 69 GLU QB . 17305 1 788 . 1 1 69 69 GLU HB3 H 1 2.014 0.05 . 2 . . . . 69 GLU QB . 17305 1 789 . 1 1 69 69 GLU HG2 H 1 2.277 0.05 . 2 . . . . 69 GLU QG . 17305 1 790 . 1 1 69 69 GLU HG3 H 1 2.277 0.05 . 2 . . . . 69 GLU QG . 17305 1 791 . 1 1 69 69 GLU C C 13 176.711 0.30 . 1 . . . . 69 GLU C . 17305 1 792 . 1 1 69 69 GLU CA C 13 60.284 0.30 . 1 . . . . 69 GLU CA . 17305 1 793 . 1 1 69 69 GLU CB C 13 29.170 0.30 . 1 . . . . 69 GLU CB . 17305 1 794 . 1 1 69 69 GLU CG C 13 36.776 0.30 . 1 . . . . 69 GLU CG . 17305 1 795 . 1 1 69 69 GLU N N 15 118.773 0.10 . 1 . . . . 69 GLU N . 17305 1 796 . 1 1 70 70 GLU H H 1 9.061 0.05 . 1 . . . . 70 GLU HN . 17305 1 797 . 1 1 70 70 GLU HA H 1 4.245 0.05 . 1 . . . . 70 GLU HA . 17305 1 798 . 1 1 70 70 GLU HB2 H 1 2.087 0.05 . 1 . . . . 70 GLU HB2 . 17305 1 799 . 1 1 70 70 GLU HB3 H 1 1.935 0.05 . 1 . . . . 70 GLU HB3 . 17305 1 800 . 1 1 70 70 GLU HG2 H 1 2.341 0.05 . 1 . . . . 70 GLU HG2 . 17305 1 801 . 1 1 70 70 GLU HG3 H 1 2.114 0.05 . 1 . . . . 70 GLU HG3 . 17305 1 802 . 1 1 70 70 GLU C C 13 178.280 0.30 . 1 . . . . 70 GLU C . 17305 1 803 . 1 1 70 70 GLU CA C 13 57.748 0.30 . 1 . . . . 70 GLU CA . 17305 1 804 . 1 1 70 70 GLU CB C 13 28.710 0.30 . 1 . . . . 70 GLU CB . 17305 1 805 . 1 1 70 70 GLU CG C 13 35.393 0.30 . 1 . . . . 70 GLU CG . 17305 1 806 . 1 1 70 70 GLU N N 15 121.413 0.10 . 1 . . . . 70 GLU N . 17305 1 807 . 1 1 71 71 ALA H H 1 8.318 0.05 . 1 . . . . 71 ALA HN . 17305 1 808 . 1 1 71 71 ALA HA H 1 3.664 0.05 . 1 . . . . 71 ALA HA . 17305 1 809 . 1 1 71 71 ALA HB1 H 1 1.373 0.05 . 1 . . . . 71 ALA QB . 17305 1 810 . 1 1 71 71 ALA HB2 H 1 1.373 0.05 . 1 . . . . 71 ALA QB . 17305 1 811 . 1 1 71 71 ALA HB3 H 1 1.373 0.05 . 1 . . . . 71 ALA QB . 17305 1 812 . 1 1 71 71 ALA C C 13 175.764 0.30 . 1 . . . . 71 ALA C . 17305 1 813 . 1 1 71 71 ALA CA C 13 55.905 0.30 . 1 . . . . 71 ALA CA . 17305 1 814 . 1 1 71 71 ALA CB C 13 19.721 0.30 . 1 . . . . 71 ALA CB . 17305 1 815 . 1 1 71 71 ALA N N 15 119.906 0.10 . 1 . . . . 71 ALA N . 17305 1 816 . 1 1 72 72 TRP H H 1 7.177 0.05 . 1 . . . . 72 TRP HN . 17305 1 817 . 1 1 72 72 TRP HA H 1 4.431 0.05 . 1 . . . . 72 TRP HA . 17305 1 818 . 1 1 72 72 TRP HB2 H 1 3.227 0.05 . 2 . . . . 72 TRP QB . 17305 1 819 . 1 1 72 72 TRP HB3 H 1 3.227 0.05 . 2 . . . . 72 TRP QB . 17305 1 820 . 1 1 72 72 TRP HD1 H 1 7.189 0.05 . 1 . . . . 72 TRP HD1 . 17305 1 821 . 1 1 72 72 TRP HE1 H 1 10.224 0.05 . 1 . . . . 72 TRP HE1 . 17305 1 822 . 1 1 72 72 TRP HE3 H 1 7.288 0.05 . 1 . . . . 72 TRP HE3 . 17305 1 823 . 1 1 72 72 TRP HZ2 H 1 7.208 0.05 . 1 . . . . 72 TRP HZ2 . 17305 1 824 . 1 1 72 72 TRP HZ3 H 1 6.258 0.05 . 1 . . . . 72 TRP HZ3 . 17305 1 825 . 1 1 72 72 TRP HH2 H 1 5.751 0.05 . 1 . . . . 72 TRP HH2 . 17305 1 826 . 1 1 72 72 TRP C C 13 173.443 0.30 . 1 . . . . 72 TRP C . 17305 1 827 . 1 1 72 72 TRP CA C 13 59.131 0.30 . 1 . . . . 72 TRP CA . 17305 1 828 . 1 1 72 72 TRP CB C 13 30.092 0.30 . 1 . . . . 72 TRP CB . 17305 1 829 . 1 1 72 72 TRP N N 15 115.396 0.10 . 1 . . . . 72 TRP N . 17305 1 830 . 1 1 72 72 TRP NE1 N 15 129.615 0.10 . 1 . . . . 72 TRP NE1 . 17305 1 831 . 1 1 73 73 ARG H H 1 7.651 0.05 . 1 . . . . 73 ARG HN . 17305 1 832 . 1 1 73 73 ARG HA H 1 3.467 0.05 . 1 . . . . 73 ARG HA . 17305 1 833 . 1 1 73 73 ARG HB2 H 1 1.743 0.05 . 1 . . . . 73 ARG HB2 . 17305 1 834 . 1 1 73 73 ARG HB3 H 1 1.719 0.05 . 1 . . . . 73 ARG HB3 . 17305 1 835 . 1 1 73 73 ARG HG2 H 1 1.658 0.05 . 1 . . . . 73 ARG HG2 . 17305 1 836 . 1 1 73 73 ARG HG3 H 1 1.416 0.05 . 1 . . . . 73 ARG HG3 . 17305 1 837 . 1 1 73 73 ARG HD2 H 1 3.171 0.05 . 1 . . . . 73 ARG HD2 . 17305 1 838 . 1 1 73 73 ARG HD3 H 1 3.016 0.05 . 1 . . . . 73 ARG HD3 . 17305 1 839 . 1 1 73 73 ARG C C 13 177.231 0.30 . 1 . . . . 73 ARG C . 17305 1 840 . 1 1 73 73 ARG CA C 13 60.053 0.30 . 1 . . . . 73 ARG CA . 17305 1 841 . 1 1 73 73 ARG CB C 13 30.092 0.30 . 1 . . . . 73 ARG CB . 17305 1 842 . 1 1 73 73 ARG CG C 13 27.327 0.30 . 1 . . . . 73 ARG CG . 17305 1 843 . 1 1 73 73 ARG CD C 13 42.768 0.30 . 1 . . . . 73 ARG CD . 17305 1 844 . 1 1 73 73 ARG N N 15 117.367 0.10 . 1 . . . . 73 ARG N . 17305 1 845 . 1 1 74 74 LEU H H 1 8.551 0.05 . 1 . . . . 74 LEU HN . 17305 1 846 . 1 1 74 74 LEU HA H 1 3.750 0.05 . 1 . . . . 74 LEU HA . 17305 1 847 . 1 1 74 74 LEU HB2 H 1 1.341 0.05 . 1 . . . . 74 LEU HB2 . 17305 1 848 . 1 1 74 74 LEU HB3 H 1 1.063 0.05 . 1 . . . . 74 LEU HB3 . 17305 1 849 . 1 1 74 74 LEU HG H 1 1.072 0.05 . 1 . . . . 74 LEU HG . 17305 1 850 . 1 1 74 74 LEU HD11 H 1 0.197 0.05 . 2 . . . . 74 LEU QD1 . 17305 1 851 . 1 1 74 74 LEU HD12 H 1 0.197 0.05 . 2 . . . . 74 LEU QD1 . 17305 1 852 . 1 1 74 74 LEU HD13 H 1 0.197 0.05 . 2 . . . . 74 LEU QD1 . 17305 1 853 . 1 1 74 74 LEU HD21 H 1 0.123 0.05 . 2 . . . . 74 LEU QD2 . 17305 1 854 . 1 1 74 74 LEU HD22 H 1 0.123 0.05 . 2 . . . . 74 LEU QD2 . 17305 1 855 . 1 1 74 74 LEU HD23 H 1 0.123 0.05 . 2 . . . . 74 LEU QD2 . 17305 1 856 . 1 1 74 74 LEU C C 13 177.312 0.30 . 1 . . . . 74 LEU C . 17305 1 857 . 1 1 74 74 LEU CA C 13 57.057 0.30 . 1 . . . . 74 LEU CA . 17305 1 858 . 1 1 74 74 LEU CB C 13 41.846 0.30 . 1 . . . . 74 LEU CB . 17305 1 859 . 1 1 74 74 LEU CG C 13 26.866 0.30 . 1 . . . . 74 LEU CG . 17305 1 860 . 1 1 74 74 LEU CD1 C 13 24.331 0.30 . 1 . . . . 74 LEU CD1 . 17305 1 861 . 1 1 74 74 LEU CD2 C 13 23.409 0.30 . 1 . . . . 74 LEU CD2 . 17305 1 862 . 1 1 74 74 LEU N N 15 119.554 0.10 . 1 . . . . 74 LEU N . 17305 1 863 . 1 1 75 75 ALA H H 1 8.273 0.05 . 1 . . . . 75 ALA HN . 17305 1 864 . 1 1 75 75 ALA HA H 1 3.484 0.05 . 1 . . . . 75 ALA HA . 17305 1 865 . 1 1 75 75 ALA HB1 H 1 1.073 0.05 . 1 . . . . 75 ALA QB . 17305 1 866 . 1 1 75 75 ALA HB2 H 1 1.073 0.05 . 1 . . . . 75 ALA QB . 17305 1 867 . 1 1 75 75 ALA HB3 H 1 1.073 0.05 . 1 . . . . 75 ALA QB . 17305 1 868 . 1 1 75 75 ALA C C 13 174.644 0.30 . 1 . . . . 75 ALA C . 17305 1 869 . 1 1 75 75 ALA CA C 13 55.674 0.30 . 1 . . . . 75 ALA CA . 17305 1 870 . 1 1 75 75 ALA CB C 13 17.878 0.30 . 1 . . . . 75 ALA CB . 17305 1 871 . 1 1 75 75 ALA N N 15 124.916 0.10 . 1 . . . . 75 ALA N . 17305 1 872 . 1 1 76 76 LEU H H 1 7.807 0.05 . 1 . . . . 76 LEU HN . 17305 1 873 . 1 1 76 76 LEU HA H 1 3.565 0.05 . 1 . . . . 76 LEU HA . 17305 1 874 . 1 1 76 76 LEU HB2 H 1 1.253 0.05 . 1 . . . . 76 LEU HB2 . 17305 1 875 . 1 1 76 76 LEU HB3 H 1 1.076 0.05 . 1 . . . . 76 LEU HB3 . 17305 1 876 . 1 1 76 76 LEU HG H 1 0.709 0.05 . 1 . . . . 76 LEU HG . 17305 1 877 . 1 1 76 76 LEU HD11 H 1 0.176 0.05 . 2 . . . . 76 LEU QD1 . 17305 1 878 . 1 1 76 76 LEU HD12 H 1 0.176 0.05 . 2 . . . . 76 LEU QD1 . 17305 1 879 . 1 1 76 76 LEU HD13 H 1 0.176 0.05 . 2 . . . . 76 LEU QD1 . 17305 1 880 . 1 1 76 76 LEU HD21 H 1 0.134 0.05 . 2 . . . . 76 LEU QD2 . 17305 1 881 . 1 1 76 76 LEU HD22 H 1 0.134 0.05 . 2 . . . . 76 LEU QD2 . 17305 1 882 . 1 1 76 76 LEU HD23 H 1 0.134 0.05 . 2 . . . . 76 LEU QD2 . 17305 1 883 . 1 1 76 76 LEU C C 13 176.550 0.30 . 1 . . . . 76 LEU C . 17305 1 884 . 1 1 76 76 LEU CA C 13 58.209 0.30 . 1 . . . . 76 LEU CA . 17305 1 885 . 1 1 76 76 LEU CB C 13 40.924 0.30 . 1 . . . . 76 LEU CB . 17305 1 886 . 1 1 76 76 LEU CG C 13 25.483 0.30 . 1 . . . . 76 LEU CG . 17305 1 887 . 1 1 76 76 LEU CD1 C 13 22.487 0.30 . 1 . . . . 76 LEU CD1 . 17305 1 888 . 1 1 76 76 LEU CD2 C 13 24.792 0.30 . 1 . . . . 76 LEU CD2 . 17305 1 889 . 1 1 76 76 LEU N N 15 114.522 0.10 . 1 . . . . 76 LEU N . 17305 1 890 . 1 1 77 77 SER H H 1 7.666 0.05 . 1 . . . . 77 SER HN . 17305 1 891 . 1 1 77 77 SER HA H 1 4.130 0.05 . 1 . . . . 77 SER HA . 17305 1 892 . 1 1 77 77 SER HB2 H 1 3.762 0.05 . 2 . . . . 77 SER QB . 17305 1 893 . 1 1 77 77 SER HB3 H 1 3.762 0.05 . 2 . . . . 77 SER QB . 17305 1 894 . 1 1 77 77 SER CA C 13 60.975 0.30 . 1 . . . . 77 SER CA . 17305 1 895 . 1 1 77 77 SER CB C 13 62.588 0.30 . 1 . . . . 77 SER CB . 17305 1 896 . 1 1 77 77 SER N N 15 111.677 0.10 . 1 . . . . 77 SER N . 17305 1 897 . 1 1 78 78 THR H H 1 7.796 0.05 . 1 . . . . 78 THR HN . 17305 1 898 . 1 1 78 78 THR HA H 1 3.338 0.05 . 1 . . . . 78 THR HA . 17305 1 899 . 1 1 78 78 THR HB H 1 3.681 0.05 . 1 . . . . 78 THR HB . 17305 1 900 . 1 1 78 78 THR HG21 H 1 0.527 0.05 . 1 . . . . 78 THR QG2 . 17305 1 901 . 1 1 78 78 THR HG22 H 1 0.527 0.05 . 1 . . . . 78 THR QG2 . 17305 1 902 . 1 1 78 78 THR HG23 H 1 0.527 0.05 . 1 . . . . 78 THR QG2 . 17305 1 903 . 1 1 78 78 THR CA C 13 67.198 0.30 . 1 . . . . 78 THR CA . 17305 1 904 . 1 1 78 78 THR CB C 13 67.198 0.30 . 1 . . . . 78 THR CB . 17305 1 905 . 1 1 78 78 THR CG2 C 13 22.948 0.30 . 1 . . . . 78 THR CG2 . 17305 1 906 . 1 1 78 78 THR N N 15 119.545 0.10 . 1 . . . . 78 THR N . 17305 1 907 . 1 1 79 79 PHE H H 1 8.425 0.05 . 1 . . . . 79 PHE HN . 17305 1 908 . 1 1 79 79 PHE HA H 1 4.515 0.05 . 1 . . . . 79 PHE HA . 17305 1 909 . 1 1 79 79 PHE HB2 H 1 3.506 0.05 . 1 . . . . 79 PHE HB2 . 17305 1 910 . 1 1 79 79 PHE HB3 H 1 3.311 0.05 . 1 . . . . 79 PHE HB3 . 17305 1 911 . 1 1 79 79 PHE HD1 H 1 7.016 0.05 . 1 . . . . 79 PHE QD . 17305 1 912 . 1 1 79 79 PHE HD2 H 1 7.016 0.05 . 1 . . . . 79 PHE QD . 17305 1 913 . 1 1 79 79 PHE HE1 H 1 6.915 0.05 . 1 . . . . 79 PHE QE . 17305 1 914 . 1 1 79 79 PHE HE2 H 1 6.915 0.05 . 1 . . . . 79 PHE QE . 17305 1 915 . 1 1 79 79 PHE HZ H 1 6.798 0.05 . 1 . . . . 79 PHE HZ . 17305 1 916 . 1 1 79 79 PHE C C 13 175.233 0.30 . 1 . . . . 79 PHE C . 17305 1 917 . 1 1 79 79 PHE CA C 13 58.209 0.30 . 1 . . . . 79 PHE CA . 17305 1 918 . 1 1 79 79 PHE CB C 13 36.545 0.30 . 1 . . . . 79 PHE CB . 17305 1 919 . 1 1 79 79 PHE N N 15 120.964 0.10 . 1 . . . . 79 PHE N . 17305 1 920 . 1 1 80 80 GLU H H 1 7.345 0.05 . 1 . . . . 80 GLU HN . 17305 1 921 . 1 1 80 80 GLU HA H 1 3.418 0.05 . 1 . . . . 80 GLU HA . 17305 1 922 . 1 1 80 80 GLU HB2 H 1 1.801 0.05 . 1 . . . . 80 GLU HB2 . 17305 1 923 . 1 1 80 80 GLU HB3 H 1 1.336 0.05 . 1 . . . . 80 GLU HB3 . 17305 1 924 . 1 1 80 80 GLU HG2 H 1 1.483 0.05 . 2 . . . . 80 GLU QG . 17305 1 925 . 1 1 80 80 GLU HG3 H 1 1.483 0.05 . 2 . . . . 80 GLU QG . 17305 1 926 . 1 1 80 80 GLU C C 13 176.042 0.30 . 1 . . . . 80 GLU C . 17305 1 927 . 1 1 80 80 GLU CA C 13 60.284 0.30 . 1 . . . . 80 GLU CA . 17305 1 928 . 1 1 80 80 GLU CB C 13 28.940 0.30 . 1 . . . . 80 GLU CB . 17305 1 929 . 1 1 80 80 GLU CG C 13 36.084 0.30 . 1 . . . . 80 GLU CG . 17305 1 930 . 1 1 80 80 GLU N N 15 116.928 0.10 . 1 . . . . 80 GLU N . 17305 1 931 . 1 1 81 81 ARG H H 1 7.285 0.05 . 1 . . . . 81 ARG HN . 17305 1 932 . 1 1 81 81 ARG HA H 1 3.897 0.05 . 1 . . . . 81 ARG HA . 17305 1 933 . 1 1 81 81 ARG HB2 H 1 1.495 0.05 . 2 . . . . 81 ARG QB . 17305 1 934 . 1 1 81 81 ARG HB3 H 1 1.495 0.05 . 2 . . . . 81 ARG QB . 17305 1 935 . 1 1 81 81 ARG HG2 H 1 1.393 0.05 . 2 . . . . 81 ARG QG . 17305 1 936 . 1 1 81 81 ARG HG3 H 1 1.393 0.05 . 2 . . . . 81 ARG QG . 17305 1 937 . 1 1 81 81 ARG HD2 H 1 2.739 0.05 . 2 . . . . 81 ARG QD . 17305 1 938 . 1 1 81 81 ARG HD3 H 1 2.739 0.05 . 2 . . . . 81 ARG QD . 17305 1 939 . 1 1 81 81 ARG C C 13 175.256 0.30 . 1 . . . . 81 ARG C . 17305 1 940 . 1 1 81 81 ARG CA C 13 57.979 0.30 . 1 . . . . 81 ARG CA . 17305 1 941 . 1 1 81 81 ARG CB C 13 30.323 0.30 . 1 . . . . 81 ARG CB . 17305 1 942 . 1 1 81 81 ARG CG C 13 26.405 0.30 . 1 . . . . 81 ARG CG . 17305 1 943 . 1 1 81 81 ARG CD C 13 42.999 0.30 . 1 . . . . 81 ARG CD . 17305 1 944 . 1 1 81 81 ARG N N 15 118.501 0.10 . 1 . . . . 81 ARG N . 17305 1 945 . 1 1 82 82 ILE H H 1 7.571 0.05 . 1 . . . . 82 ILE HN . 17305 1 946 . 1 1 82 82 ILE HA H 1 4.432 0.05 . 1 . . . . 82 ILE HA . 17305 1 947 . 1 1 82 82 ILE HB H 1 2.179 0.05 . 1 . . . . 82 ILE HB . 17305 1 948 . 1 1 82 82 ILE HG12 H 1 1.701 0.05 . 1 . . . . 82 ILE HG12 . 17305 1 949 . 1 1 82 82 ILE HG13 H 1 1.421 0.05 . 1 . . . . 82 ILE HG13 . 17305 1 950 . 1 1 82 82 ILE HG21 H 1 0.664 0.05 . 1 . . . . 82 ILE QG2 . 17305 1 951 . 1 1 82 82 ILE HG22 H 1 0.664 0.05 . 1 . . . . 82 ILE QG2 . 17305 1 952 . 1 1 82 82 ILE HG23 H 1 0.664 0.05 . 1 . . . . 82 ILE QG2 . 17305 1 953 . 1 1 82 82 ILE HD11 H 1 1.051 0.05 . 1 . . . . 82 ILE QD1 . 17305 1 954 . 1 1 82 82 ILE HD12 H 1 1.051 0.05 . 1 . . . . 82 ILE QD1 . 17305 1 955 . 1 1 82 82 ILE HD13 H 1 1.051 0.05 . 1 . . . . 82 ILE QD1 . 17305 1 956 . 1 1 82 82 ILE C C 13 171.919 0.30 . 1 . . . . 82 ILE C . 17305 1 957 . 1 1 82 82 ILE CA C 13 60.744 0.30 . 1 . . . . 82 ILE CA . 17305 1 958 . 1 1 82 82 ILE CB C 13 37.237 0.30 . 1 . . . . 82 ILE CB . 17305 1 959 . 1 1 82 82 ILE CG1 C 13 26.174 0.30 . 1 . . . . 82 ILE CG1 . 17305 1 960 . 1 1 82 82 ILE CG2 C 13 16.956 0.30 . 1 . . . . 82 ILE CG2 . 17305 1 961 . 1 1 82 82 ILE CD1 C 13 16.264 0.30 . 1 . . . . 82 ILE CD1 . 17305 1 962 . 1 1 82 82 ILE N N 15 110.431 0.10 . 1 . . . . 82 ILE N . 17305 1 963 . 1 1 83 83 ASN H H 1 7.725 0.05 . 1 . . . . 83 ASN HN . 17305 1 964 . 1 1 83 83 ASN HA H 1 4.280 0.05 . 1 . . . . 83 ASN HA . 17305 1 965 . 1 1 83 83 ASN HB2 H 1 3.255 0.05 . 1 . . . . 83 ASN HB2 . 17305 1 966 . 1 1 83 83 ASN HB3 H 1 2.709 0.05 . 1 . . . . 83 ASN HB3 . 17305 1 967 . 1 1 83 83 ASN HD21 H 1 7.533 0.05 . 1 . . . . 83 ASN HD21 . 17305 1 968 . 1 1 83 83 ASN HD22 H 1 6.788 0.05 . 1 . . . . 83 ASN HD22 . 17305 1 969 . 1 1 83 83 ASN C C 13 172.381 0.30 . 1 . . . . 83 ASN C . 17305 1 970 . 1 1 83 83 ASN CA C 13 54.752 0.30 . 1 . . . . 83 ASN CA . 17305 1 971 . 1 1 83 83 ASN CB C 13 36.776 0.30 . 1 . . . . 83 ASN CB . 17305 1 972 . 1 1 83 83 ASN N N 15 114.634 0.10 . 1 . . . . 83 ASN N . 17305 1 973 . 1 1 83 83 ASN ND2 N 15 112.068 0.10 . 1 . . . . 83 ASN ND2 . 17305 1 974 . 1 1 84 84 ARG H H 1 8.248 0.05 . 1 . . . . 84 ARG HN . 17305 1 975 . 1 1 84 84 ARG HA H 1 4.780 0.05 . 1 . . . . 84 ARG HA . 17305 1 976 . 1 1 84 84 ARG HB2 H 1 1.750 0.05 . 1 . . . . 84 ARG HB2 . 17305 1 977 . 1 1 84 84 ARG HB3 H 1 1.477 0.05 . 1 . . . . 84 ARG HB3 . 17305 1 978 . 1 1 84 84 ARG HG2 H 1 1.357 0.05 . 1 . . . . 84 ARG HG2 . 17305 1 979 . 1 1 84 84 ARG HG3 H 1 1.162 0.05 . 1 . . . . 84 ARG HG3 . 17305 1 980 . 1 1 84 84 ARG HD2 H 1 3.723 0.05 . 1 . . . . 84 ARG HD2 . 17305 1 981 . 1 1 84 84 ARG HD3 H 1 3.237 0.05 . 1 . . . . 84 ARG HD3 . 17305 1 982 . 1 1 84 84 ARG C C 13 174.333 0.30 . 1 . . . . 84 ARG C . 17305 1 983 . 1 1 84 84 ARG CA C 13 51.065 0.30 . 1 . . . . 84 ARG CA . 17305 1 984 . 1 1 84 84 ARG CB C 13 26.405 0.30 . 1 . . . . 84 ARG CB . 17305 1 985 . 1 1 84 84 ARG CG C 13 24.100 0.30 . 1 . . . . 84 ARG CG . 17305 1 986 . 1 1 84 84 ARG CD C 13 39.081 0.30 . 1 . . . . 84 ARG CD . 17305 1 987 . 1 1 84 84 ARG N N 15 118.456 0.10 . 1 . . . . 84 ARG N . 17305 1 988 . 1 1 85 85 LYS H H 1 8.269 0.05 . 1 . . . . 85 LYS HN . 17305 1 989 . 1 1 85 85 LYS HA H 1 3.883 0.05 . 1 . . . . 85 LYS HA . 17305 1 990 . 1 1 85 85 LYS HB2 H 1 1.946 0.05 . 1 . . . . 85 LYS HB2 . 17305 1 991 . 1 1 85 85 LYS HB3 H 1 1.859 0.05 . 1 . . . . 85 LYS HB3 . 17305 1 992 . 1 1 85 85 LYS HG2 H 1 1.450 0.05 . 2 . . . . 85 LYS QG . 17305 1 993 . 1 1 85 85 LYS HG3 H 1 1.450 0.05 . 2 . . . . 85 LYS QG . 17305 1 994 . 1 1 85 85 LYS HD2 H 1 1.550 0.05 . 2 . . . . 85 LYS QD . 17305 1 995 . 1 1 85 85 LYS HD3 H 1 1.550 0.05 . 2 . . . . 85 LYS QD . 17305 1 996 . 1 1 85 85 LYS HE2 H 1 2.792 0.05 . 1 . . . . 85 LYS HE2 . 17305 1 997 . 1 1 85 85 LYS HE3 H 1 2.711 0.05 . 1 . . . . 85 LYS HE3 . 17305 1 998 . 1 1 85 85 LYS CA C 13 59.131 0.30 . 1 . . . . 85 LYS CA . 17305 1 999 . 1 1 85 85 LYS CB C 13 32.167 0.30 . 1 . . . . 85 LYS CB . 17305 1 1000 . 1 1 85 85 LYS CG C 13 26.635 0.30 . 1 . . . . 85 LYS CG . 17305 1 1001 . 1 1 85 85 LYS CD C 13 29.170 0.30 . 1 . . . . 85 LYS CD . 17305 1 1002 . 1 1 85 85 LYS CE C 13 41.846 0.30 . 1 . . . . 85 LYS CE . 17305 1 1003 . 1 1 85 85 LYS N N 15 122.179 0.10 . 1 . . . . 85 LYS N . 17305 1 1004 . 1 1 86 86 ASP H H 1 9.040 0.05 . 1 . . . . 86 ASP HN . 17305 1 1005 . 1 1 86 86 ASP HA H 1 4.280 0.05 . 1 . . . . 86 ASP HA . 17305 1 1006 . 1 1 86 86 ASP HB2 H 1 2.757 0.05 . 1 . . . . 86 ASP HB2 . 17305 1 1007 . 1 1 86 86 ASP HB3 H 1 2.422 0.05 . 1 . . . . 86 ASP HB3 . 17305 1 1008 . 1 1 86 86 ASP CA C 13 56.366 0.30 . 1 . . . . 86 ASP CA . 17305 1 1009 . 1 1 86 86 ASP CB C 13 38.389 0.30 . 1 . . . . 86 ASP CB . 17305 1 1010 . 1 1 86 86 ASP N N 15 117.207 0.10 . 1 . . . . 86 ASP N . 17305 1 1011 . 1 1 87 87 LEU H H 1 7.287 0.05 . 1 . . . . 87 LEU HN . 17305 1 1012 . 1 1 87 87 LEU HA H 1 4.002 0.05 . 1 . . . . 87 LEU HA . 17305 1 1013 . 1 1 87 87 LEU HB2 H 1 1.388 0.05 . 1 . . . . 87 LEU HB2 . 17305 1 1014 . 1 1 87 87 LEU HB3 H 1 0.829 0.05 . 1 . . . . 87 LEU HB3 . 17305 1 1015 . 1 1 87 87 LEU HG H 1 1.323 0.05 . 1 . . . . 87 LEU HG . 17305 1 1016 . 1 1 87 87 LEU HD11 H 1 0.066 0.05 . 2 . . . . 87 LEU QD1 . 17305 1 1017 . 1 1 87 87 LEU HD12 H 1 0.066 0.05 . 2 . . . . 87 LEU QD1 . 17305 1 1018 . 1 1 87 87 LEU HD13 H 1 0.066 0.05 . 2 . . . . 87 LEU QD1 . 17305 1 1019 . 1 1 87 87 LEU HD21 H 1 0.313 0.05 . 2 . . . . 87 LEU QD2 . 17305 1 1020 . 1 1 87 87 LEU HD22 H 1 0.313 0.05 . 2 . . . . 87 LEU QD2 . 17305 1 1021 . 1 1 87 87 LEU HD23 H 1 0.313 0.05 . 2 . . . . 87 LEU QD2 . 17305 1 1022 . 1 1 87 87 LEU C C 13 176.042 0.30 . 1 . . . . 87 LEU C . 17305 1 1023 . 1 1 87 87 LEU CA C 13 57.057 0.30 . 1 . . . . 87 LEU CA . 17305 1 1024 . 1 1 87 87 LEU CB C 13 41.616 0.30 . 1 . . . . 87 LEU CB . 17305 1 1025 . 1 1 87 87 LEU CG C 13 26.174 0.30 . 1 . . . . 87 LEU CG . 17305 1 1026 . 1 1 87 87 LEU CD1 C 13 25.253 0.30 . 1 . . . . 87 LEU CD1 . 17305 1 1027 . 1 1 87 87 LEU CD2 C 13 21.335 0.30 . 1 . . . . 87 LEU CD2 . 17305 1 1028 . 1 1 87 87 LEU N N 15 121.200 0.10 . 1 . . . . 87 LEU N . 17305 1 1029 . 1 1 88 88 TRP H H 1 7.436 0.05 . 1 . . . . 88 TRP HN . 17305 1 1030 . 1 1 88 88 TRP HA H 1 4.175 0.05 . 1 . . . . 88 TRP HA . 17305 1 1031 . 1 1 88 88 TRP HB2 H 1 3.589 0.05 . 1 . . . . 88 TRP HB2 . 17305 1 1032 . 1 1 88 88 TRP HB3 H 1 3.145 0.05 . 1 . . . . 88 TRP HB3 . 17305 1 1033 . 1 1 88 88 TRP HD1 H 1 7.278 0.05 . 1 . . . . 88 TRP HD1 . 17305 1 1034 . 1 1 88 88 TRP HE1 H 1 10.108 0.05 . 1 . . . . 88 TRP HE1 . 17305 1 1035 . 1 1 88 88 TRP HE3 H 1 7.545 0.05 . 1 . . . . 88 TRP HE3 . 17305 1 1036 . 1 1 88 88 TRP HZ2 H 1 7.329 0.05 . 1 . . . . 88 TRP HZ2 . 17305 1 1037 . 1 1 88 88 TRP HZ3 H 1 7.112 0.05 . 1 . . . . 88 TRP HZ3 . 17305 1 1038 . 1 1 88 88 TRP HH2 H 1 7.109 0.05 . 1 . . . . 88 TRP HH2 . 17305 1 1039 . 1 1 88 88 TRP C C 13 174.517 0.30 . 1 . . . . 88 TRP C . 17305 1 1040 . 1 1 88 88 TRP CA C 13 61.897 0.30 . 1 . . . . 88 TRP CA . 17305 1 1041 . 1 1 88 88 TRP CB C 13 28.940 0.30 . 1 . . . . 88 TRP CB . 17305 1 1042 . 1 1 88 88 TRP N N 15 119.986 0.10 . 1 . . . . 88 TRP N . 17305 1 1043 . 1 1 88 88 TRP NE1 N 15 130.819 0.10 . 1 . . . . 88 TRP NE1 . 17305 1 1044 . 1 1 89 89 GLU H H 1 8.874 0.05 . 1 . . . . 89 GLU HN . 17305 1 1045 . 1 1 89 89 GLU HA H 1 3.457 0.05 . 1 . . . . 89 GLU HA . 17305 1 1046 . 1 1 89 89 GLU HB2 H 1 2.157 0.05 . 1 . . . . 89 GLU HB2 . 17305 1 1047 . 1 1 89 89 GLU HB3 H 1 1.969 0.05 . 1 . . . . 89 GLU HB3 . 17305 1 1048 . 1 1 89 89 GLU HG2 H 1 2.475 0.05 . 1 . . . . 89 GLU HG2 . 17305 1 1049 . 1 1 89 89 GLU HG3 H 1 2.250 0.05 . 1 . . . . 89 GLU HG3 . 17305 1 1050 . 1 1 89 89 GLU C C 13 176.688 0.30 . 1 . . . . 89 GLU C . 17305 1 1051 . 1 1 89 89 GLU CA C 13 59.592 0.30 . 1 . . . . 89 GLU CA . 17305 1 1052 . 1 1 89 89 GLU CB C 13 29.401 0.30 . 1 . . . . 89 GLU CB . 17305 1 1053 . 1 1 89 89 GLU CG C 13 36.545 0.30 . 1 . . . . 89 GLU CG . 17305 1 1054 . 1 1 89 89 GLU N N 15 118.238 0.10 . 1 . . . . 89 GLU N . 17305 1 1055 . 1 1 90 90 ARG H H 1 7.795 0.05 . 1 . . . . 90 ARG HN . 17305 1 1056 . 1 1 90 90 ARG HA H 1 3.822 0.05 . 1 . . . . 90 ARG HA . 17305 1 1057 . 1 1 90 90 ARG HB2 H 1 2.027 0.05 . 1 . . . . 90 ARG HB2 . 17305 1 1058 . 1 1 90 90 ARG HB3 H 1 1.849 0.05 . 1 . . . . 90 ARG HB3 . 17305 1 1059 . 1 1 90 90 ARG HG2 H 1 1.779 0.05 . 1 . . . . 90 ARG HG2 . 17305 1 1060 . 1 1 90 90 ARG HG3 H 1 1.737 0.05 . 1 . . . . 90 ARG HG3 . 17305 1 1061 . 1 1 90 90 ARG HD2 H 1 2.998 0.05 . 1 . . . . 90 ARG HD2 . 17305 1 1062 . 1 1 90 90 ARG HD3 H 1 2.829 0.05 . 1 . . . . 90 ARG HD3 . 17305 1 1063 . 1 1 90 90 ARG C C 13 176.735 0.30 . 1 . . . . 90 ARG C . 17305 1 1064 . 1 1 90 90 ARG CA C 13 59.592 0.30 . 1 . . . . 90 ARG CA . 17305 1 1065 . 1 1 90 90 ARG CB C 13 31.245 0.30 . 1 . . . . 90 ARG CB . 17305 1 1066 . 1 1 90 90 ARG CG C 13 26.635 0.30 . 1 . . . . 90 ARG CG . 17305 1 1067 . 1 1 90 90 ARG CD C 13 44.151 0.30 . 1 . . . . 90 ARG CD . 17305 1 1068 . 1 1 90 90 ARG N N 15 119.545 0.10 . 1 . . . . 90 ARG N . 17305 1 1069 . 1 1 91 91 GLY H H 1 8.577 0.05 . 1 . . . . 91 GLY HN . 17305 1 1070 . 1 1 91 91 GLY HA2 H 1 4.167 0.05 . 1 . . . . 91 GLY HA1 . 17305 1 1071 . 1 1 91 91 GLY HA3 H 1 3.590 0.05 . 1 . . . . 91 GLY HA2 . 17305 1 1072 . 1 1 91 91 GLY C C 13 173.582 0.30 . 1 . . . . 91 GLY C . 17305 1 1073 . 1 1 91 91 GLY CA C 13 46.916 0.30 . 1 . . . . 91 GLY CA . 17305 1 1074 . 1 1 91 91 GLY N N 15 107.410 0.10 . 1 . . . . 91 GLY N . 17305 1 1075 . 1 1 92 92 GLN H H 1 7.747 0.05 . 1 . . . . 92 GLN HN . 17305 1 1076 . 1 1 92 92 GLN HA H 1 3.786 0.05 . 1 . . . . 92 GLN HA . 17305 1 1077 . 1 1 92 92 GLN HB2 H 1 1.712 0.05 . 1 . . . . 92 GLN HB2 . 17305 1 1078 . 1 1 92 92 GLN HB3 H 1 1.570 0.05 . 1 . . . . 92 GLN HB3 . 17305 1 1079 . 1 1 92 92 GLN HG2 H 1 1.618 0.05 . 1 . . . . 92 GLN HG2 . 17305 1 1080 . 1 1 92 92 GLN HG3 H 1 1.355 0.05 . 1 . . . . 92 GLN HG3 . 17305 1 1081 . 1 1 92 92 GLN HE21 H 1 7.129 0.05 . 1 . . . . 92 GLN HE21 . 17305 1 1082 . 1 1 92 92 GLN HE22 H 1 6.724 0.05 . 1 . . . . 92 GLN HE22 . 17305 1 1083 . 1 1 92 92 GLN C C 13 174.968 0.30 . 1 . . . . 92 GLN C . 17305 1 1084 . 1 1 92 92 GLN CA C 13 57.518 0.30 . 1 . . . . 92 GLN CA . 17305 1 1085 . 1 1 92 92 GLN CB C 13 28.479 0.30 . 1 . . . . 92 GLN CB . 17305 1 1086 . 1 1 92 92 GLN CG C 13 32.627 0.30 . 1 . . . . 92 GLN CG . 17305 1 1087 . 1 1 92 92 GLN N N 15 118.898 0.10 . 1 . . . . 92 GLN N . 17305 1 1088 . 1 1 92 92 GLN NE2 N 15 111.461 0.10 . 1 . . . . 92 GLN NE2 . 17305 1 1089 . 1 1 93 93 ARG H H 1 7.416 0.05 . 1 . . . . 93 ARG HN . 17305 1 1090 . 1 1 93 93 ARG HA H 1 4.121 0.05 . 1 . . . . 93 ARG HA . 17305 1 1091 . 1 1 93 93 ARG HB2 H 1 1.883 0.05 . 1 . . . . 93 ARG HB2 . 17305 1 1092 . 1 1 93 93 ARG HB3 H 1 1.767 0.05 . 1 . . . . 93 ARG HB3 . 17305 1 1093 . 1 1 93 93 ARG HG2 H 1 1.644 0.05 . 1 . . . . 93 ARG HG2 . 17305 1 1094 . 1 1 93 93 ARG HG3 H 1 1.513 0.05 . 1 . . . . 93 ARG HG3 . 17305 1 1095 . 1 1 93 93 ARG HD2 H 1 3.087 0.05 . 2 . . . . 93 ARG QD . 17305 1 1096 . 1 1 93 93 ARG HD3 H 1 3.087 0.05 . 2 . . . . 93 ARG QD . 17305 1 1097 . 1 1 93 93 ARG C C 13 174.737 0.30 . 1 . . . . 93 ARG C . 17305 1 1098 . 1 1 93 93 ARG CA C 13 57.057 0.30 . 1 . . . . 93 ARG CA . 17305 1 1099 . 1 1 93 93 ARG CB C 13 30.553 0.30 . 1 . . . . 93 ARG CB . 17305 1 1100 . 1 1 93 93 ARG CG C 13 28.018 0.30 . 1 . . . . 93 ARG CG . 17305 1 1101 . 1 1 93 93 ARG CD C 13 43.459 0.30 . 1 . . . . 93 ARG CD . 17305 1 1102 . 1 1 93 93 ARG N N 15 116.658 0.10 . 1 . . . . 93 ARG N . 17305 1 1103 . 1 1 94 94 GLU H H 1 7.579 0.05 . 1 . . . . 94 GLU HN . 17305 1 1104 . 1 1 94 94 GLU HA H 1 4.034 0.05 . 1 . . . . 94 GLU HA . 17305 1 1105 . 1 1 94 94 GLU HB2 H 1 1.914 0.05 . 2 . . . . 94 GLU QB . 17305 1 1106 . 1 1 94 94 GLU HB3 H 1 1.914 0.05 . 2 . . . . 94 GLU QB . 17305 1 1107 . 1 1 94 94 GLU HG2 H 1 2.371 0.05 . 2 . . . . 94 GLU QG . 17305 1 1108 . 1 1 94 94 GLU HG3 H 1 2.371 0.05 . 2 . . . . 94 GLU QG . 17305 1 1109 . 1 1 94 94 GLU C C 13 174.309 0.30 . 1 . . . . 94 GLU C . 17305 1 1110 . 1 1 94 94 GLU CA C 13 57.518 0.30 . 1 . . . . 94 GLU CA . 17305 1 1111 . 1 1 94 94 GLU CB C 13 29.401 0.30 . 1 . . . . 94 GLU CB . 17305 1 1112 . 1 1 94 94 GLU CG C 13 36.084 0.30 . 1 . . . . 94 GLU CG . 17305 1 1113 . 1 1 94 94 GLU N N 15 119.228 0.10 . 1 . . . . 94 GLU N . 17305 1 1114 . 1 1 95 95 ASP H H 1 8.123 0.05 . 1 . . . . 95 ASP HN . 17305 1 1115 . 1 1 95 95 ASP HA H 1 4.451 0.05 . 1 . . . . 95 ASP HA . 17305 1 1116 . 1 1 95 95 ASP HB2 H 1 2.603 0.05 . 1 . . . . 95 ASP HB2 . 17305 1 1117 . 1 1 95 95 ASP HB3 H 1 2.502 0.05 . 1 . . . . 95 ASP HB3 . 17305 1 1118 . 1 1 95 95 ASP CA C 13 54.752 0.30 . 1 . . . . 95 ASP CA . 17305 1 1119 . 1 1 95 95 ASP CB C 13 40.694 0.30 . 1 . . . . 95 ASP CB . 17305 1 1120 . 1 1 95 95 ASP N N 15 119.986 0.10 . 1 . . . . 95 ASP N . 17305 1 1121 . 1 1 96 96 LEU H H 1 7.807 0.05 . 1 . . . . 96 LEU HN . 17305 1 1122 . 1 1 96 96 LEU HA H 1 4.103 0.05 . 1 . . . . 96 LEU HA . 17305 1 1123 . 1 1 96 96 LEU HB2 H 1 1.464 0.05 . 1 . . . . 96 LEU HB2 . 17305 1 1124 . 1 1 96 96 LEU HB3 H 1 1.426 0.05 . 1 . . . . 96 LEU HB3 . 17305 1 1125 . 1 1 96 96 LEU HG H 1 1.448 0.05 . 1 . . . . 96 LEU HG . 17305 1 1126 . 1 1 96 96 LEU HD11 H 1 0.698 0.05 . 2 . . . . 96 LEU QD1 . 17305 1 1127 . 1 1 96 96 LEU HD12 H 1 0.698 0.05 . 2 . . . . 96 LEU QD1 . 17305 1 1128 . 1 1 96 96 LEU HD13 H 1 0.698 0.05 . 2 . . . . 96 LEU QD1 . 17305 1 1129 . 1 1 96 96 LEU HD21 H 1 0.615 0.05 . 2 . . . . 96 LEU QD2 . 17305 1 1130 . 1 1 96 96 LEU HD22 H 1 0.615 0.05 . 2 . . . . 96 LEU QD2 . 17305 1 1131 . 1 1 96 96 LEU HD23 H 1 0.615 0.05 . 2 . . . . 96 LEU QD2 . 17305 1 1132 . 1 1 96 96 LEU CA C 13 55.674 0.30 . 1 . . . . 96 LEU CA . 17305 1 1133 . 1 1 96 96 LEU CB C 13 42.077 0.30 . 1 . . . . 96 LEU CB . 17305 1 1134 . 1 1 96 96 LEU CG C 13 26.866 0.30 . 1 . . . . 96 LEU CG . 17305 1 1135 . 1 1 96 96 LEU CD1 C 13 25.022 0.30 . 1 . . . . 96 LEU CD1 . 17305 1 1136 . 1 1 96 96 LEU CD2 C 13 23.178 0.30 . 1 . . . . 96 LEU CD2 . 17305 1 1137 . 1 1 96 96 LEU N N 15 121.301 0.10 . 1 . . . . 96 LEU N . 17305 1 1138 . 1 1 97 97 VAL H H 1 7.831 0.05 . 1 . . . . 97 VAL HN . 17305 1 1139 . 1 1 97 97 VAL HA H 1 3.908 0.05 . 1 . . . . 97 VAL HA . 17305 1 1140 . 1 1 97 97 VAL HB H 1 1.951 0.05 . 1 . . . . 97 VAL HB . 17305 1 1141 . 1 1 97 97 VAL HG11 H 1 0.783 0.05 . 2 . . . . 97 VAL QG1 . 17305 1 1142 . 1 1 97 97 VAL HG12 H 1 0.783 0.05 . 2 . . . . 97 VAL QG1 . 17305 1 1143 . 1 1 97 97 VAL HG13 H 1 0.783 0.05 . 2 . . . . 97 VAL QG1 . 17305 1 1144 . 1 1 97 97 VAL HG21 H 1 0.783 0.05 . 2 . . . . 97 VAL QG2 . 17305 1 1145 . 1 1 97 97 VAL HG22 H 1 0.783 0.05 . 2 . . . . 97 VAL QG2 . 17305 1 1146 . 1 1 97 97 VAL HG23 H 1 0.783 0.05 . 2 . . . . 97 VAL QG2 . 17305 1 1147 . 1 1 97 97 VAL C C 13 173.513 0.30 . 1 . . . . 97 VAL C . 17305 1 1148 . 1 1 97 97 VAL CA C 13 62.819 0.30 . 1 . . . . 97 VAL CA . 17305 1 1149 . 1 1 97 97 VAL CB C 13 32.167 0.30 . 1 . . . . 97 VAL CB . 17305 1 1150 . 1 1 97 97 VAL CG1 C 13 21.104 0.30 . 1 . . . . 97 VAL CG1 . 17305 1 1151 . 1 1 97 97 VAL CG2 C 13 20.874 0.30 . 1 . . . . 97 VAL CG2 . 17305 1 1152 . 1 1 97 97 VAL N N 15 119.881 0.10 . 1 . . . . 97 VAL N . 17305 1 1153 . 1 1 98 98 ARG H H 1 8.131 0.05 . 1 . . . . 98 ARG HN . 17305 1 1154 . 1 1 98 98 ARG HA H 1 4.225 0.05 . 1 . . . . 98 ARG HA . 17305 1 1155 . 1 1 98 98 ARG HB2 H 1 1.711 0.05 . 1 . . . . 98 ARG HB2 . 17305 1 1156 . 1 1 98 98 ARG HB3 H 1 1.640 0.05 . 1 . . . . 98 ARG HB3 . 17305 1 1157 . 1 1 98 98 ARG HG2 H 1 1.508 0.05 . 2 . . . . 98 ARG QG . 17305 1 1158 . 1 1 98 98 ARG HG3 H 1 1.508 0.05 . 2 . . . . 98 ARG QG . 17305 1 1159 . 1 1 98 98 ARG HD2 H 1 3.057 0.05 . 2 . . . . 98 ARG QD . 17305 1 1160 . 1 1 98 98 ARG HD3 H 1 3.057 0.05 . 2 . . . . 98 ARG QD . 17305 1 1161 . 1 1 98 98 ARG C C 13 173.247 0.30 . 1 . . . . 98 ARG C . 17305 1 1162 . 1 1 98 98 ARG CA C 13 55.905 0.30 . 1 . . . . 98 ARG CA . 17305 1 1163 . 1 1 98 98 ARG CB C 13 31.014 0.30 . 1 . . . . 98 ARG CB . 17305 1 1164 . 1 1 98 98 ARG CG C 13 26.866 0.30 . 1 . . . . 98 ARG CG . 17305 1 1165 . 1 1 98 98 ARG CD C 13 43.229 0.30 . 1 . . . . 98 ARG CD . 17305 1 1166 . 1 1 98 98 ARG N N 15 124.145 0.10 . 1 . . . . 98 ARG N . 17305 1 1167 . 1 1 99 99 ASP H H 1 8.267 0.05 . 1 . . . . 99 ASP HN . 17305 1 1168 . 1 1 99 99 ASP HA H 1 4.524 0.05 . 1 . . . . 99 ASP HA . 17305 1 1169 . 1 1 99 99 ASP HB2 H 1 2.587 0.05 . 1 . . . . 99 ASP HB2 . 17305 1 1170 . 1 1 99 99 ASP HB3 H 1 2.508 0.05 . 1 . . . . 99 ASP HB3 . 17305 1 1171 . 1 1 99 99 ASP CA C 13 54.522 0.30 . 1 . . . . 99 ASP CA . 17305 1 1172 . 1 1 99 99 ASP CB C 13 41.155 0.30 . 1 . . . . 99 ASP CB . 17305 1 1173 . 1 1 99 99 ASP N N 15 121.253 0.10 . 1 . . . . 99 ASP N . 17305 1 1174 . 1 1 100 100 THR H H 1 7.958 0.05 . 1 . . . . 100 THR HN . 17305 1 1175 . 1 1 100 100 THR HA H 1 4.246 0.05 . 1 . . . . 100 THR HA . 17305 1 1176 . 1 1 100 100 THR HB H 1 4.095 0.05 . 1 . . . . 100 THR HB . 17305 1 1177 . 1 1 100 100 THR HG21 H 1 1.064 0.05 . 1 . . . . 100 THR QG2 . 17305 1 1178 . 1 1 100 100 THR HG22 H 1 1.064 0.05 . 1 . . . . 100 THR QG2 . 17305 1 1179 . 1 1 100 100 THR HG23 H 1 1.064 0.05 . 1 . . . . 100 THR QG2 . 17305 1 1180 . 1 1 100 100 THR C C 13 171.526 0.30 . 1 . . . . 100 THR C . 17305 1 1181 . 1 1 100 100 THR CA C 13 61.666 0.30 . 1 . . . . 100 THR CA . 17305 1 1182 . 1 1 100 100 THR CB C 13 69.963 0.30 . 1 . . . . 100 THR CB . 17305 1 1183 . 1 1 100 100 THR CG2 C 13 21.565 0.30 . 1 . . . . 100 THR CG2 . 17305 1 1184 . 1 1 100 100 THR N N 15 114.142 0.10 . 1 . . . . 100 THR N . 17305 1 1185 . 1 1 101 101 VAL H H 1 8.088 0.05 . 1 . . . . 101 VAL HN . 17305 1 1186 . 1 1 101 101 VAL HA H 1 4.044 0.05 . 1 . . . . 101 VAL HA . 17305 1 1187 . 1 1 101 101 VAL HB H 1 1.980 0.05 . 1 . . . . 101 VAL HB . 17305 1 1188 . 1 1 101 101 VAL HG11 H 1 0.817 0.05 . 2 . . . . 101 VAL QG1 . 17305 1 1189 . 1 1 101 101 VAL HG12 H 1 0.817 0.05 . 2 . . . . 101 VAL QG1 . 17305 1 1190 . 1 1 101 101 VAL HG13 H 1 0.817 0.05 . 2 . . . . 101 VAL QG1 . 17305 1 1191 . 1 1 101 101 VAL HG21 H 1 0.861 0.05 . 2 . . . . 101 VAL QG2 . 17305 1 1192 . 1 1 101 101 VAL HG22 H 1 0.861 0.05 . 2 . . . . 101 VAL QG2 . 17305 1 1193 . 1 1 101 101 VAL HG23 H 1 0.861 0.05 . 2 . . . . 101 VAL QG2 . 17305 1 1194 . 1 1 101 101 VAL C C 13 172.531 0.30 . 1 . . . . 101 VAL C . 17305 1 1195 . 1 1 101 101 VAL CA C 13 62.127 0.30 . 1 . . . . 101 VAL CA . 17305 1 1196 . 1 1 101 101 VAL CB C 13 32.627 0.30 . 1 . . . . 101 VAL CB . 17305 1 1197 . 1 1 101 101 VAL CG1 C 13 20.874 0.30 . 1 . . . . 101 VAL CG1 . 17305 1 1198 . 1 1 101 101 VAL N N 15 122.726 0.10 . 1 . . . . 101 VAL N . 17305 1 1199 . 1 1 102 102 GLU H H 1 7.962 0.05 . 1 . . . . 102 GLU HN . 17305 1 1200 . 1 1 102 102 GLU C C 13 129.544 0.30 . 1 . . . . 102 GLU C . 17305 1 1201 . 1 1 102 102 GLU CA C 13 57.986 0.30 . 1 . . . . 102 GLU CA . 17305 1 1202 . 1 1 102 102 GLU CB C 13 30.988 0.30 . 1 . . . . 102 GLU CB . 17305 1 1203 . 1 1 102 102 GLU CG C 13 36.770 0.30 . 1 . . . . 102 GLU CG . 17305 1 1204 . 1 1 102 102 GLU N N 15 181.029 0.10 . 1 . . . . 102 GLU N . 17305 1 stop_ save_