data_17835 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17835 _Entry.Title ; NOT AVAILABLE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-06 _Entry.Accession_date 2011-08-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 G. Cui . . . 17835 2 M.V. Botuyan . . . 17835 3 G. Mer . . . 17835 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' . 17835 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ribonucleoprotein . 17835 'RNA binding domain' . 17835 'RNA granule component' . 17835 'Tudor domain-containing protein' . 17835 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17835 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 17835 '15N chemical shifts' 84 17835 '1H chemical shifts' 577 17835 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 . . 2013-03-25 2011-08-06 update BMRB 'update entry citation' 17835 1 . . 2012-04-30 2011-08-06 original author 'original release' 17835 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LH9 'BMRB Entry Tracking System' 17835 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17835 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22481467 _Citation.Full_citation . _Citation.Title '(1)H, (15)N and (13)C resonance assignments for the three LOTUS RNA binding domains of Tudor domain-containing protein TDRD7.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 79 _Citation.Page_last 83 _Citation.Year 2013 _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 Gaofeng Cui . . . 17835 1 2 'Maria Victoria' Botuyan . . . 17835 1 3 Georges Mer . . . 17835 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17835 _Assembly.ID 1 _Assembly.Name TDRD7 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TDRD7 1 $TDRD7 A . yes native no no . . . 17835 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TDRD7 _Entity.Sf_category entity _Entity.Sf_framecode TDRD7 _Entity.Entry_ID 17835 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TDRD7 _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 ; GHMLEADLVSKMLRAVLQSH KNGIVLPRLQGEYRSLTGDW IPFKQLGYPTLEAYLRSVPA VVRIEASRSGEIVCYAVA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8681.178 _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 2LH9 . "Nmr Structure Of The First Lotus Domain Of Tudor Domain-Containing Protein 7" . . . . . 100.00 78 100.00 100.00 9.27e-49 . . . . 17835 1 2 no DBJ BAA82968 . "tudor repeat associator with PCTAIRE 2 [Rattus norvegicus]" . . . . . 97.44 1113 100.00 100.00 7.20e-42 . . . . 17835 1 3 no DBJ BAE36321 . "unnamed protein product [Mus musculus]" . . . . . 97.44 296 100.00 100.00 1.25e-44 . . . . 17835 1 4 no GB AAH29689 . "Tudor domain containing 7 [Mus musculus]" . . . . . 97.44 1086 100.00 100.00 6.80e-42 . . . . 17835 1 5 no GB AAH90066 . "Tdrd7 protein [Rattus norvegicus]" . . . . . 97.44 1086 100.00 100.00 6.41e-42 . . . . 17835 1 6 no GB EDL02384 . "tudor domain containing 7 [Mus musculus]" . . . . . 97.44 959 100.00 100.00 5.13e-42 . . . . 17835 1 7 no GB EDL98827 . "tudor domain containing 7, isoform CRA_a [Rattus norvegicus]" . . . . . 97.44 1113 100.00 100.00 7.20e-42 . . . . 17835 1 8 no REF NP_001277404 . "tudor domain-containing protein 7 isoform 1 [Mus musculus]" . . . . . 100.00 1119 97.44 97.44 6.86e-42 . . . . 17835 1 9 no REF NP_620226 . "tudor domain-containing protein 7 [Rattus norvegicus]" . . . . . 97.44 1113 100.00 100.00 7.20e-42 . . . . 17835 1 10 no REF NP_666254 . "tudor domain-containing protein 7 isoform 2 [Mus musculus]" . . . . . 97.44 1086 100.00 100.00 6.80e-42 . . . . 17835 1 11 no REF XP_004581240 . "PREDICTED: tudor domain-containing protein 7 [Ochotona princeps]" . . . . . 97.44 1063 97.37 97.37 4.06e-41 . . . . 17835 1 12 no REF XP_006238169 . "PREDICTED: tudor domain-containing protein 7 isoform X1 [Rattus norvegicus]" . . . . . 100.00 1146 97.44 97.44 6.88e-42 . . . . 17835 1 13 no SP Q8K1H1 . "RecName: Full=Tudor domain-containing protein 7; AltName: Full=PCTAIRE2-binding protein; AltName: Full=Tudor repeat associator " . . . . . 97.44 1086 100.00 100.00 6.80e-42 . . . . 17835 1 14 no SP Q9R1R4 . "RecName: Full=Tudor domain-containing protein 7; AltName: Full=PCTAIRE2-binding protein; AltName: Full=Tudor repeat associator " . . . . . 97.44 1113 100.00 100.00 7.20e-42 . . . . 17835 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 -2 GLY . 17835 1 2 -1 HIS . 17835 1 3 34 MET . 17835 1 4 35 LEU . 17835 1 5 36 GLU . 17835 1 6 37 ALA . 17835 1 7 38 ASP . 17835 1 8 39 LEU . 17835 1 9 40 VAL . 17835 1 10 41 SER . 17835 1 11 42 LYS . 17835 1 12 43 MET . 17835 1 13 44 LEU . 17835 1 14 45 ARG . 17835 1 15 46 ALA . 17835 1 16 47 VAL . 17835 1 17 48 LEU . 17835 1 18 49 GLN . 17835 1 19 50 SER . 17835 1 20 51 HIS . 17835 1 21 52 LYS . 17835 1 22 53 ASN . 17835 1 23 54 GLY . 17835 1 24 55 ILE . 17835 1 25 56 VAL . 17835 1 26 57 LEU . 17835 1 27 58 PRO . 17835 1 28 59 ARG . 17835 1 29 60 LEU . 17835 1 30 61 GLN . 17835 1 31 62 GLY . 17835 1 32 63 GLU . 17835 1 33 64 TYR . 17835 1 34 65 ARG . 17835 1 35 66 SER . 17835 1 36 67 LEU . 17835 1 37 68 THR . 17835 1 38 69 GLY . 17835 1 39 70 ASP . 17835 1 40 71 TRP . 17835 1 41 72 ILE . 17835 1 42 73 PRO . 17835 1 43 74 PHE . 17835 1 44 75 LYS . 17835 1 45 76 GLN . 17835 1 46 77 LEU . 17835 1 47 78 GLY . 17835 1 48 79 TYR . 17835 1 49 80 PRO . 17835 1 50 81 THR . 17835 1 51 82 LEU . 17835 1 52 83 GLU . 17835 1 53 84 ALA . 17835 1 54 85 TYR . 17835 1 55 86 LEU . 17835 1 56 87 ARG . 17835 1 57 88 SER . 17835 1 58 89 VAL . 17835 1 59 90 PRO . 17835 1 60 91 ALA . 17835 1 61 92 VAL . 17835 1 62 93 VAL . 17835 1 63 94 ARG . 17835 1 64 95 ILE . 17835 1 65 96 GLU . 17835 1 66 97 ALA . 17835 1 67 98 SER . 17835 1 68 99 ARG . 17835 1 69 100 SER . 17835 1 70 101 GLY . 17835 1 71 102 GLU . 17835 1 72 103 ILE . 17835 1 73 104 VAL . 17835 1 74 105 CYS . 17835 1 75 106 TYR . 17835 1 76 107 ALA . 17835 1 77 108 VAL . 17835 1 78 109 ALA . 17835 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 17835 1 . HIS 2 2 17835 1 . MET 3 3 17835 1 . LEU 4 4 17835 1 . GLU 5 5 17835 1 . ALA 6 6 17835 1 . ASP 7 7 17835 1 . LEU 8 8 17835 1 . VAL 9 9 17835 1 . SER 10 10 17835 1 . LYS 11 11 17835 1 . MET 12 12 17835 1 . LEU 13 13 17835 1 . ARG 14 14 17835 1 . ALA 15 15 17835 1 . VAL 16 16 17835 1 . LEU 17 17 17835 1 . GLN 18 18 17835 1 . SER 19 19 17835 1 . HIS 20 20 17835 1 . LYS 21 21 17835 1 . ASN 22 22 17835 1 . GLY 23 23 17835 1 . ILE 24 24 17835 1 . VAL 25 25 17835 1 . LEU 26 26 17835 1 . PRO 27 27 17835 1 . ARG 28 28 17835 1 . LEU 29 29 17835 1 . GLN 30 30 17835 1 . GLY 31 31 17835 1 . GLU 32 32 17835 1 . TYR 33 33 17835 1 . ARG 34 34 17835 1 . SER 35 35 17835 1 . LEU 36 36 17835 1 . THR 37 37 17835 1 . GLY 38 38 17835 1 . ASP 39 39 17835 1 . TRP 40 40 17835 1 . ILE 41 41 17835 1 . PRO 42 42 17835 1 . PHE 43 43 17835 1 . LYS 44 44 17835 1 . GLN 45 45 17835 1 . LEU 46 46 17835 1 . GLY 47 47 17835 1 . TYR 48 48 17835 1 . PRO 49 49 17835 1 . THR 50 50 17835 1 . LEU 51 51 17835 1 . GLU 52 52 17835 1 . ALA 53 53 17835 1 . TYR 54 54 17835 1 . LEU 55 55 17835 1 . ARG 56 56 17835 1 . SER 57 57 17835 1 . VAL 58 58 17835 1 . PRO 59 59 17835 1 . ALA 60 60 17835 1 . VAL 61 61 17835 1 . VAL 62 62 17835 1 . ARG 63 63 17835 1 . ILE 64 64 17835 1 . GLU 65 65 17835 1 . ALA 66 66 17835 1 . SER 67 67 17835 1 . ARG 68 68 17835 1 . SER 69 69 17835 1 . GLY 70 70 17835 1 . GLU 71 71 17835 1 . ILE 72 72 17835 1 . VAL 73 73 17835 1 . CYS 74 74 17835 1 . TYR 75 75 17835 1 . ALA 76 76 17835 1 . VAL 77 77 17835 1 . ALA 78 78 17835 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 17835 _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 $TDRD7 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17835 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 17835 _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 $TDRD7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) Rosetta' . . . . . . . . . . . . . . . pTEV . . . . . . 17835 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17835 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TDRD7 '[U-100% 15N]' . . 1 $TDRD7 . . 1.5 . . mM . . . . 17835 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 17835 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17835 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17835 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17835 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TDRD7 '[U-100% 13C; U-100% 15N]' . . 1 $TDRD7 . . 1.5 . . mM . . . . 17835 2 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 17835 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17835 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17835 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17835 _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 . mM 17835 1 pH 4.3 . pH 17835 1 pressure 1 . atm 17835 1 temperature 298 . K 17835 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17835 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17835 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17835 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17835 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17835 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17835 2 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 17835 _Software.ID 3 _Software.Name SANE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 17835 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17835 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17835 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17835 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17835 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 17835 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17835 _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 . 700 . . . 17835 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 17835 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 8 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17835 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 17835 _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 carbon' . . . . ppm 0 na direct 1.0 . . . . . . . . . 17835 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 17835 1 N 15 NH3 nitrogen . . . . ppm 0 na direct 1.0 . . . . . . . . . 17835 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 17835 _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 3 '2D 1H-13C HSQC' . . . 17835 1 12 '3D 1H-13C NOESY aliphatic' . . . 17835 1 13 '3D 1H-13C NOESY aromatic' . . . 17835 1 14 '2D 1H-15N HSQC' . . . 17835 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.805 0.03 . 2 . . . A -2 GLY HA2 . 17835 1 2 . 1 1 1 1 GLY HA3 H 1 3.805 0.03 . 2 . . . A -2 GLY HA3 . 17835 1 3 . 1 1 1 1 GLY C C 13 169.904 0.30 . 1 . . . A -2 GLY C . 17835 1 4 . 1 1 1 1 GLY CA C 13 43.187 0.30 . 1 . . . A -2 GLY CA . 17835 1 5 . 1 1 2 2 HIS H H 1 8.832 0.03 . 1 . . . A -1 HIS H . 17835 1 6 . 1 1 2 2 HIS HA H 1 4.748 0.03 . 1 . . . A -1 HIS HA . 17835 1 7 . 1 1 2 2 HIS HB2 H 1 3.230 0.03 . 2 . . . A -1 HIS HB2 . 17835 1 8 . 1 1 2 2 HIS HB3 H 1 3.142 0.03 . 2 . . . A -1 HIS HB3 . 17835 1 9 . 1 1 2 2 HIS HD2 H 1 7.261 0.03 . 1 . . . A -1 HIS HD2 . 17835 1 10 . 1 1 2 2 HIS C C 13 174.241 0.30 . 1 . . . A -1 HIS C . 17835 1 11 . 1 1 2 2 HIS CA C 13 55.307 0.30 . 1 . . . A -1 HIS CA . 17835 1 12 . 1 1 2 2 HIS CB C 13 29.267 0.30 . 1 . . . A -1 HIS CB . 17835 1 13 . 1 1 2 2 HIS CD2 C 13 120.069 0.30 . 1 . . . A -1 HIS CD2 . 17835 1 14 . 1 1 2 2 HIS N N 15 118.114 0.30 . 1 . . . A -1 HIS N . 17835 1 15 . 1 1 3 3 MET H H 1 8.649 0.03 . 1 . . . A 34 MET H . 17835 1 16 . 1 1 3 3 MET HA H 1 4.417 0.03 . 1 . . . A 34 MET HA . 17835 1 17 . 1 1 3 3 MET HB2 H 1 2.012 0.03 . 2 . . . A 34 MET HB2 . 17835 1 18 . 1 1 3 3 MET HB3 H 1 2.012 0.03 . 2 . . . A 34 MET HB3 . 17835 1 19 . 1 1 3 3 MET HG2 H 1 2.521 0.03 . 2 . . . A 34 MET HG2 . 17835 1 20 . 1 1 3 3 MET HG3 H 1 2.564 0.03 . 2 . . . A 34 MET HG3 . 17835 1 21 . 1 1 3 3 MET HE1 H 1 1.958 0.03 . 1 . . . A 34 MET HE1 . 17835 1 22 . 1 1 3 3 MET HE2 H 1 1.958 0.03 . 1 . . . A 34 MET HE2 . 17835 1 23 . 1 1 3 3 MET HE3 H 1 1.958 0.03 . 1 . . . A 34 MET HE3 . 17835 1 24 . 1 1 3 3 MET C C 13 175.939 0.30 . 1 . . . A 34 MET C . 17835 1 25 . 1 1 3 3 MET CA C 13 55.834 0.30 . 1 . . . A 34 MET CA . 17835 1 26 . 1 1 3 3 MET CB C 13 33.092 0.30 . 1 . . . A 34 MET CB . 17835 1 27 . 1 1 3 3 MET CG C 13 31.749 0.30 . 1 . . . A 34 MET CG . 17835 1 28 . 1 1 3 3 MET CE C 13 17.429 0.30 . 1 . . . A 34 MET CE . 17835 1 29 . 1 1 3 3 MET N N 15 122.922 0.30 . 1 . . . A 34 MET N . 17835 1 30 . 1 1 4 4 LEU H H 1 8.636 0.03 . 1 . . . A 35 LEU H . 17835 1 31 . 1 1 4 4 LEU HA H 1 4.299 0.03 . 1 . . . A 35 LEU HA . 17835 1 32 . 1 1 4 4 LEU HB2 H 1 1.643 0.03 . 2 . . . A 35 LEU HB2 . 17835 1 33 . 1 1 4 4 LEU HB3 H 1 1.643 0.03 . 2 . . . A 35 LEU HB3 . 17835 1 34 . 1 1 4 4 LEU HG H 1 1.647 0.03 . 1 . . . A 35 LEU HG . 17835 1 35 . 1 1 4 4 LEU HD11 H 1 0.911 0.03 . 2 . . . A 35 LEU HD11 . 17835 1 36 . 1 1 4 4 LEU HD12 H 1 0.911 0.03 . 2 . . . A 35 LEU HD12 . 17835 1 37 . 1 1 4 4 LEU HD13 H 1 0.911 0.03 . 2 . . . A 35 LEU HD13 . 17835 1 38 . 1 1 4 4 LEU HD21 H 1 0.871 0.03 . 2 . . . A 35 LEU HD21 . 17835 1 39 . 1 1 4 4 LEU HD22 H 1 0.871 0.03 . 2 . . . A 35 LEU HD22 . 17835 1 40 . 1 1 4 4 LEU HD23 H 1 0.871 0.03 . 2 . . . A 35 LEU HD23 . 17835 1 41 . 1 1 4 4 LEU C C 13 177.892 0.30 . 1 . . . A 35 LEU C . 17835 1 42 . 1 1 4 4 LEU CA C 13 55.749 0.30 . 1 . . . A 35 LEU CA . 17835 1 43 . 1 1 4 4 LEU CB C 13 42.001 0.30 . 1 . . . A 35 LEU CB . 17835 1 44 . 1 1 4 4 LEU CG C 13 27.096 0.30 . 1 . . . A 35 LEU CG . 17835 1 45 . 1 1 4 4 LEU CD1 C 13 24.787 0.30 . 1 . . . A 35 LEU CD1 . 17835 1 46 . 1 1 4 4 LEU CD2 C 13 23.694 0.30 . 1 . . . A 35 LEU CD2 . 17835 1 47 . 1 1 4 4 LEU N N 15 124.907 0.30 . 1 . . . A 35 LEU N . 17835 1 48 . 1 1 5 5 GLU H H 1 8.594 0.03 . 1 . . . A 36 GLU H . 17835 1 49 . 1 1 5 5 GLU HA H 1 4.172 0.03 . 1 . . . A 36 GLU HA . 17835 1 50 . 1 1 5 5 GLU HB2 H 1 2.098 0.03 . 2 . . . A 36 GLU HB2 . 17835 1 51 . 1 1 5 5 GLU HB3 H 1 2.021 0.03 . 2 . . . A 36 GLU HB3 . 17835 1 52 . 1 1 5 5 GLU HG2 H 1 2.359 0.03 . 2 . . . A 36 GLU HG2 . 17835 1 53 . 1 1 5 5 GLU HG3 H 1 2.359 0.03 . 2 . . . A 36 GLU HG3 . 17835 1 54 . 1 1 5 5 GLU C C 13 177.481 0.30 . 1 . . . A 36 GLU C . 17835 1 55 . 1 1 5 5 GLU CA C 13 58.106 0.30 . 1 . . . A 36 GLU CA . 17835 1 56 . 1 1 5 5 GLU CB C 13 28.874 0.30 . 1 . . . A 36 GLU CB . 17835 1 57 . 1 1 5 5 GLU CG C 13 34.130 0.30 . 1 . . . A 36 GLU CG . 17835 1 58 . 1 1 5 5 GLU N N 15 122.649 0.30 . 1 . . . A 36 GLU N . 17835 1 59 . 1 1 6 6 ALA H H 1 8.744 0.03 . 1 . . . A 37 ALA H . 17835 1 60 . 1 1 6 6 ALA HA H 1 3.944 0.03 . 1 . . . A 37 ALA HA . 17835 1 61 . 1 1 6 6 ALA HB1 H 1 1.538 0.03 . 1 . . . A 37 ALA HB1 . 17835 1 62 . 1 1 6 6 ALA HB2 H 1 1.538 0.03 . 1 . . . A 37 ALA HB2 . 17835 1 63 . 1 1 6 6 ALA HB3 H 1 1.538 0.03 . 1 . . . A 37 ALA HB3 . 17835 1 64 . 1 1 6 6 ALA C C 13 180.419 0.30 . 1 . . . A 37 ALA C . 17835 1 65 . 1 1 6 6 ALA CA C 13 55.686 0.30 . 1 . . . A 37 ALA CA . 17835 1 66 . 1 1 6 6 ALA CB C 13 18.587 0.30 . 1 . . . A 37 ALA CB . 17835 1 67 . 1 1 6 6 ALA N N 15 121.929 0.30 . 1 . . . A 37 ALA N . 17835 1 68 . 1 1 7 7 ASP H H 1 8.071 0.03 . 1 . . . A 38 ASP H . 17835 1 69 . 1 1 7 7 ASP HA H 1 4.482 0.03 . 1 . . . A 38 ASP HA . 17835 1 70 . 1 1 7 7 ASP HB2 H 1 2.782 0.03 . 2 . . . A 38 ASP HB2 . 17835 1 71 . 1 1 7 7 ASP HB3 H 1 2.737 0.03 . 2 . . . A 38 ASP HB3 . 17835 1 72 . 1 1 7 7 ASP C C 13 178.010 0.30 . 1 . . . A 38 ASP C . 17835 1 73 . 1 1 7 7 ASP CA C 13 56.603 0.30 . 1 . . . A 38 ASP CA . 17835 1 74 . 1 1 7 7 ASP CB C 13 40.353 0.30 . 1 . . . A 38 ASP CB . 17835 1 75 . 1 1 7 7 ASP N N 15 117.514 0.30 . 1 . . . A 38 ASP N . 17835 1 76 . 1 1 8 8 LEU H H 1 7.713 0.03 . 1 . . . A 39 LEU H . 17835 1 77 . 1 1 8 8 LEU HA H 1 4.165 0.03 . 1 . . . A 39 LEU HA . 17835 1 78 . 1 1 8 8 LEU HB2 H 1 1.839 0.03 . 2 . . . A 39 LEU HB2 . 17835 1 79 . 1 1 8 8 LEU HB3 H 1 1.720 0.03 . 2 . . . A 39 LEU HB3 . 17835 1 80 . 1 1 8 8 LEU HG H 1 1.651 0.03 . 1 . . . A 39 LEU HG . 17835 1 81 . 1 1 8 8 LEU HD11 H 1 0.913 0.03 . 2 . . . A 39 LEU HD11 . 17835 1 82 . 1 1 8 8 LEU HD12 H 1 0.913 0.03 . 2 . . . A 39 LEU HD12 . 17835 1 83 . 1 1 8 8 LEU HD13 H 1 0.913 0.03 . 2 . . . A 39 LEU HD13 . 17835 1 84 . 1 1 8 8 LEU HD21 H 1 0.913 0.03 . 2 . . . A 39 LEU HD21 . 17835 1 85 . 1 1 8 8 LEU HD22 H 1 0.913 0.03 . 2 . . . A 39 LEU HD22 . 17835 1 86 . 1 1 8 8 LEU HD23 H 1 0.913 0.03 . 2 . . . A 39 LEU HD23 . 17835 1 87 . 1 1 8 8 LEU C C 13 178.699 0.30 . 1 . . . A 39 LEU C . 17835 1 88 . 1 1 8 8 LEU CA C 13 57.986 0.30 . 1 . . . A 39 LEU CA . 17835 1 89 . 1 1 8 8 LEU CB C 13 41.675 0.30 . 1 . . . A 39 LEU CB . 17835 1 90 . 1 1 8 8 LEU CG C 13 27.019 0.30 . 1 . . . A 39 LEU CG . 17835 1 91 . 1 1 8 8 LEU CD1 C 13 24.338 0.30 . 1 . . . A 39 LEU CD1 . 17835 1 92 . 1 1 8 8 LEU CD2 C 13 24.338 0.30 . 1 . . . A 39 LEU CD2 . 17835 1 93 . 1 1 8 8 LEU N N 15 122.640 0.30 . 1 . . . A 39 LEU N . 17835 1 94 . 1 1 9 9 VAL H H 1 8.115 0.03 . 1 . . . A 40 VAL H . 17835 1 95 . 1 1 9 9 VAL HA H 1 4.025 0.03 . 1 . . . A 40 VAL HA . 17835 1 96 . 1 1 9 9 VAL HB H 1 2.003 0.03 . 1 . . . A 40 VAL HB . 17835 1 97 . 1 1 9 9 VAL HG11 H 1 0.907 0.03 . 2 . . . A 40 VAL HG11 . 17835 1 98 . 1 1 9 9 VAL HG12 H 1 0.907 0.03 . 2 . . . A 40 VAL HG12 . 17835 1 99 . 1 1 9 9 VAL HG13 H 1 0.907 0.03 . 2 . . . A 40 VAL HG13 . 17835 1 100 . 1 1 9 9 VAL HG21 H 1 0.988 0.03 . 2 . . . A 40 VAL HG21 . 17835 1 101 . 1 1 9 9 VAL HG22 H 1 0.988 0.03 . 2 . . . A 40 VAL HG22 . 17835 1 102 . 1 1 9 9 VAL HG23 H 1 0.988 0.03 . 2 . . . A 40 VAL HG23 . 17835 1 103 . 1 1 9 9 VAL C C 13 178.570 0.30 . 1 . . . A 40 VAL C . 17835 1 104 . 1 1 9 9 VAL CA C 13 65.683 0.30 . 1 . . . A 40 VAL CA . 17835 1 105 . 1 1 9 9 VAL CB C 13 31.841 0.30 . 1 . . . A 40 VAL CB . 17835 1 106 . 1 1 9 9 VAL CG1 C 13 20.979 0.30 . 1 . . . A 40 VAL CG1 . 17835 1 107 . 1 1 9 9 VAL CG2 C 13 22.633 0.30 . 1 . . . A 40 VAL CG2 . 17835 1 108 . 1 1 9 9 VAL N N 15 119.303 0.30 . 1 . . . A 40 VAL N . 17835 1 109 . 1 1 10 10 SER H H 1 7.796 0.03 . 1 . . . A 41 SER H . 17835 1 110 . 1 1 10 10 SER HA H 1 4.042 0.03 . 1 . . . A 41 SER HA . 17835 1 111 . 1 1 10 10 SER HB2 H 1 4.042 0.03 . 2 . . . A 41 SER HB2 . 17835 1 112 . 1 1 10 10 SER HB3 H 1 4.042 0.03 . 2 . . . A 41 SER HB3 . 17835 1 113 . 1 1 10 10 SER C C 13 176.364 0.30 . 1 . . . A 41 SER C . 17835 1 114 . 1 1 10 10 SER CA C 13 62.600 0.30 . 1 . . . A 41 SER CA . 17835 1 115 . 1 1 10 10 SER CB C 13 61.596 0.30 . 1 . . . A 41 SER CB . 17835 1 116 . 1 1 10 10 SER N N 15 113.146 0.30 . 1 . . . A 41 SER N . 17835 1 117 . 1 1 11 11 LYS H H 1 7.754 0.03 . 1 . . . A 42 LYS H . 17835 1 118 . 1 1 11 11 LYS HA H 1 4.044 0.03 . 1 . . . A 42 LYS HA . 17835 1 119 . 1 1 11 11 LYS HB2 H 1 2.008 0.03 . 2 . . . A 42 LYS HB2 . 17835 1 120 . 1 1 11 11 LYS HB3 H 1 2.008 0.03 . 2 . . . A 42 LYS HB3 . 17835 1 121 . 1 1 11 11 LYS HG2 H 1 1.605 0.03 . 2 . . . A 42 LYS HG2 . 17835 1 122 . 1 1 11 11 LYS HG3 H 1 1.366 0.03 . 2 . . . A 42 LYS HG3 . 17835 1 123 . 1 1 11 11 LYS HD2 H 1 1.645 0.03 . 2 . . . A 42 LYS HD2 . 17835 1 124 . 1 1 11 11 LYS HD3 H 1 1.645 0.03 . 2 . . . A 42 LYS HD3 . 17835 1 125 . 1 1 11 11 LYS HE2 H 1 2.937 0.03 . 2 . . . A 42 LYS HE2 . 17835 1 126 . 1 1 11 11 LYS HE3 H 1 2.937 0.03 . 2 . . . A 42 LYS HE3 . 17835 1 127 . 1 1 11 11 LYS C C 13 180.048 0.30 . 1 . . . A 42 LYS C . 17835 1 128 . 1 1 11 11 LYS CA C 13 60.002 0.30 . 1 . . . A 42 LYS CA . 17835 1 129 . 1 1 11 11 LYS CB C 13 32.839 0.30 . 1 . . . A 42 LYS CB . 17835 1 130 . 1 1 11 11 LYS CG C 13 25.397 0.30 . 1 . . . A 42 LYS CG . 17835 1 131 . 1 1 11 11 LYS CD C 13 29.721 0.30 . 1 . . . A 42 LYS CD . 17835 1 132 . 1 1 11 11 LYS CE C 13 42.066 0.30 . 1 . . . A 42 LYS CE . 17835 1 133 . 1 1 11 11 LYS N N 15 121.690 0.30 . 1 . . . A 42 LYS N . 17835 1 134 . 1 1 12 12 MET H H 1 8.451 0.03 . 1 . . . A 43 MET H . 17835 1 135 . 1 1 12 12 MET HA H 1 4.420 0.03 . 1 . . . A 43 MET HA . 17835 1 136 . 1 1 12 12 MET HB2 H 1 2.548 0.03 . 2 . . . A 43 MET HB2 . 17835 1 137 . 1 1 12 12 MET HB3 H 1 1.576 0.03 . 2 . . . A 43 MET HB3 . 17835 1 138 . 1 1 12 12 MET HG2 H 1 2.737 0.03 . 2 . . . A 43 MET HG2 . 17835 1 139 . 1 1 12 12 MET HG3 H 1 2.622 0.03 . 2 . . . A 43 MET HG3 . 17835 1 140 . 1 1 12 12 MET HE1 H 1 2.061 0.03 . 1 . . . A 43 MET HE1 . 17835 1 141 . 1 1 12 12 MET HE2 H 1 2.061 0.03 . 1 . . . A 43 MET HE2 . 17835 1 142 . 1 1 12 12 MET HE3 H 1 2.061 0.03 . 1 . . . A 43 MET HE3 . 17835 1 143 . 1 1 12 12 MET C C 13 178.151 0.30 . 1 . . . A 43 MET C . 17835 1 144 . 1 1 12 12 MET CA C 13 57.095 0.30 . 1 . . . A 43 MET CA . 17835 1 145 . 1 1 12 12 MET CB C 13 31.599 0.30 . 1 . . . A 43 MET CB . 17835 1 146 . 1 1 12 12 MET CG C 13 32.610 0.30 . 1 . . . A 43 MET CG . 17835 1 147 . 1 1 12 12 MET CE C 13 16.970 0.30 . 1 . . . A 43 MET CE . 17835 1 148 . 1 1 12 12 MET N N 15 119.794 0.30 . 1 . . . A 43 MET N . 17835 1 149 . 1 1 13 13 LEU H H 1 9.301 0.03 . 1 . . . A 44 LEU H . 17835 1 150 . 1 1 13 13 LEU HA H 1 4.207 0.03 . 1 . . . A 44 LEU HA . 17835 1 151 . 1 1 13 13 LEU HB2 H 1 1.797 0.03 . 2 . . . A 44 LEU HB2 . 17835 1 152 . 1 1 13 13 LEU HB3 H 1 1.952 0.03 . 2 . . . A 44 LEU HB3 . 17835 1 153 . 1 1 13 13 LEU HG H 1 1.637 0.03 . 1 . . . A 44 LEU HG . 17835 1 154 . 1 1 13 13 LEU HD11 H 1 0.911 0.03 . 2 . . . A 44 LEU HD11 . 17835 1 155 . 1 1 13 13 LEU HD12 H 1 0.911 0.03 . 2 . . . A 44 LEU HD12 . 17835 1 156 . 1 1 13 13 LEU HD13 H 1 0.911 0.03 . 2 . . . A 44 LEU HD13 . 17835 1 157 . 1 1 13 13 LEU HD21 H 1 0.911 0.03 . 2 . . . A 44 LEU HD21 . 17835 1 158 . 1 1 13 13 LEU HD22 H 1 0.911 0.03 . 2 . . . A 44 LEU HD22 . 17835 1 159 . 1 1 13 13 LEU HD23 H 1 0.911 0.03 . 2 . . . A 44 LEU HD23 . 17835 1 160 . 1 1 13 13 LEU C C 13 178.526 0.30 . 1 . . . A 44 LEU C . 17835 1 161 . 1 1 13 13 LEU CA C 13 58.178 0.30 . 1 . . . A 44 LEU CA . 17835 1 162 . 1 1 13 13 LEU CB C 13 42.148 0.30 . 1 . . . A 44 LEU CB . 17835 1 163 . 1 1 13 13 LEU CG C 13 26.398 0.30 . 1 . . . A 44 LEU CG . 17835 1 164 . 1 1 13 13 LEU CD1 C 13 24.489 0.30 . 1 . . . A 44 LEU CD1 . 17835 1 165 . 1 1 13 13 LEU CD2 C 13 24.489 0.30 . 1 . . . A 44 LEU CD2 . 17835 1 166 . 1 1 13 13 LEU N N 15 122.035 0.30 . 1 . . . A 44 LEU N . 17835 1 167 . 1 1 14 14 ARG H H 1 8.248 0.03 . 1 . . . A 45 ARG H . 17835 1 168 . 1 1 14 14 ARG HA H 1 3.839 0.03 . 1 . . . A 45 ARG HA . 17835 1 169 . 1 1 14 14 ARG HB2 H 1 2.011 0.03 . 2 . . . A 45 ARG HB2 . 17835 1 170 . 1 1 14 14 ARG HB3 H 1 2.011 0.03 . 2 . . . A 45 ARG HB3 . 17835 1 171 . 1 1 14 14 ARG HG2 H 1 1.885 0.03 . 2 . . . A 45 ARG HG2 . 17835 1 172 . 1 1 14 14 ARG HG3 H 1 1.885 0.03 . 2 . . . A 45 ARG HG3 . 17835 1 173 . 1 1 14 14 ARG HD2 H 1 3.308 0.03 . 2 . . . A 45 ARG HD2 . 17835 1 174 . 1 1 14 14 ARG HD3 H 1 3.206 0.03 . 2 . . . A 45 ARG HD3 . 17835 1 175 . 1 1 14 14 ARG HE H 1 7.538 0.03 . 1 . . . A 45 ARG HE . 17835 1 176 . 1 1 14 14 ARG C C 13 177.951 0.30 . 1 . . . A 45 ARG C . 17835 1 177 . 1 1 14 14 ARG CA C 13 60.500 0.30 . 1 . . . A 45 ARG CA . 17835 1 178 . 1 1 14 14 ARG CB C 13 29.966 0.30 . 1 . . . A 45 ARG CB . 17835 1 179 . 1 1 14 14 ARG CG C 13 27.772 0.30 . 1 . . . A 45 ARG CG . 17835 1 180 . 1 1 14 14 ARG CD C 13 43.682 0.30 . 1 . . . A 45 ARG CD . 17835 1 181 . 1 1 14 14 ARG N N 15 118.150 0.30 . 1 . . . A 45 ARG N . 17835 1 182 . 1 1 14 14 ARG NE N 15 84.672 0.30 . 1 . . . A 45 ARG NE . 17835 1 183 . 1 1 15 15 ALA H H 1 7.587 0.03 . 1 . . . A 46 ALA H . 17835 1 184 . 1 1 15 15 ALA HA H 1 4.150 0.03 . 1 . . . A 46 ALA HA . 17835 1 185 . 1 1 15 15 ALA HB1 H 1 1.534 0.03 . 1 . . . A 46 ALA HB1 . 17835 1 186 . 1 1 15 15 ALA HB2 H 1 1.534 0.03 . 1 . . . A 46 ALA HB2 . 17835 1 187 . 1 1 15 15 ALA HB3 H 1 1.534 0.03 . 1 . . . A 46 ALA HB3 . 17835 1 188 . 1 1 15 15 ALA C C 13 181.072 0.30 . 1 . . . A 46 ALA C . 17835 1 189 . 1 1 15 15 ALA CA C 13 55.371 0.30 . 1 . . . A 46 ALA CA . 17835 1 190 . 1 1 15 15 ALA CB C 13 17.845 0.30 . 1 . . . A 46 ALA CB . 17835 1 191 . 1 1 15 15 ALA N N 15 120.291 0.30 . 1 . . . A 46 ALA N . 17835 1 192 . 1 1 16 16 VAL H H 1 8.324 0.03 . 1 . . . A 47 VAL H . 17835 1 193 . 1 1 16 16 VAL HA H 1 3.858 0.03 . 1 . . . A 47 VAL HA . 17835 1 194 . 1 1 16 16 VAL HB H 1 2.332 0.03 . 1 . . . A 47 VAL HB . 17835 1 195 . 1 1 16 16 VAL HG11 H 1 0.953 0.03 . 2 . . . A 47 VAL HG11 . 17835 1 196 . 1 1 16 16 VAL HG12 H 1 0.953 0.03 . 2 . . . A 47 VAL HG12 . 17835 1 197 . 1 1 16 16 VAL HG13 H 1 0.953 0.03 . 2 . . . A 47 VAL HG13 . 17835 1 198 . 1 1 16 16 VAL HG21 H 1 1.113 0.03 . 2 . . . A 47 VAL HG21 . 17835 1 199 . 1 1 16 16 VAL HG22 H 1 1.113 0.03 . 2 . . . A 47 VAL HG22 . 17835 1 200 . 1 1 16 16 VAL HG23 H 1 1.113 0.03 . 2 . . . A 47 VAL HG23 . 17835 1 201 . 1 1 16 16 VAL C C 13 178.531 0.30 . 1 . . . A 47 VAL C . 17835 1 202 . 1 1 16 16 VAL CA C 13 65.552 0.30 . 1 . . . A 47 VAL CA . 17835 1 203 . 1 1 16 16 VAL CB C 13 32.190 0.30 . 1 . . . A 47 VAL CB . 17835 1 204 . 1 1 16 16 VAL CG1 C 13 21.535 0.30 . 1 . . . A 47 VAL CG1 . 17835 1 205 . 1 1 16 16 VAL CG2 C 13 24.212 0.30 . 1 . . . A 47 VAL CG2 . 17835 1 206 . 1 1 16 16 VAL N N 15 119.183 0.30 . 1 . . . A 47 VAL N . 17835 1 207 . 1 1 17 17 LEU H H 1 8.388 0.03 . 1 . . . A 48 LEU H . 17835 1 208 . 1 1 17 17 LEU HA H 1 3.985 0.03 . 1 . . . A 48 LEU HA . 17835 1 209 . 1 1 17 17 LEU HB2 H 1 1.957 0.03 . 2 . . . A 48 LEU HB2 . 17835 1 210 . 1 1 17 17 LEU HB3 H 1 1.415 0.03 . 2 . . . A 48 LEU HB3 . 17835 1 211 . 1 1 17 17 LEU HG H 1 1.731 0.03 . 1 . . . A 48 LEU HG . 17835 1 212 . 1 1 17 17 LEU HD11 H 1 0.763 0.03 . 2 . . . A 48 LEU HD11 . 17835 1 213 . 1 1 17 17 LEU HD12 H 1 0.763 0.03 . 2 . . . A 48 LEU HD12 . 17835 1 214 . 1 1 17 17 LEU HD13 H 1 0.763 0.03 . 2 . . . A 48 LEU HD13 . 17835 1 215 . 1 1 17 17 LEU HD21 H 1 0.585 0.03 . 2 . . . A 48 LEU HD21 . 17835 1 216 . 1 1 17 17 LEU HD22 H 1 0.585 0.03 . 2 . . . A 48 LEU HD22 . 17835 1 217 . 1 1 17 17 LEU HD23 H 1 0.585 0.03 . 2 . . . A 48 LEU HD23 . 17835 1 218 . 1 1 17 17 LEU C C 13 179.935 0.30 . 1 . . . A 48 LEU C . 17835 1 219 . 1 1 17 17 LEU CA C 13 58.474 0.30 . 1 . . . A 48 LEU CA . 17835 1 220 . 1 1 17 17 LEU CB C 13 41.885 0.30 . 1 . . . A 48 LEU CB . 17835 1 221 . 1 1 17 17 LEU CG C 13 27.249 0.30 . 1 . . . A 48 LEU CG . 17835 1 222 . 1 1 17 17 LEU CD1 C 13 27.568 0.30 . 1 . . . A 48 LEU CD1 . 17835 1 223 . 1 1 17 17 LEU CD2 C 13 23.084 0.30 . 1 . . . A 48 LEU CD2 . 17835 1 224 . 1 1 17 17 LEU N N 15 120.498 0.30 . 1 . . . A 48 LEU N . 17835 1 225 . 1 1 18 18 GLN H H 1 8.689 0.03 . 1 . . . A 49 GLN H . 17835 1 226 . 1 1 18 18 GLN HA H 1 3.981 0.03 . 1 . . . A 49 GLN HA . 17835 1 227 . 1 1 18 18 GLN HB2 H 1 2.217 0.03 . 2 . . . A 49 GLN HB2 . 17835 1 228 . 1 1 18 18 GLN HB3 H 1 2.048 0.03 . 2 . . . A 49 GLN HB3 . 17835 1 229 . 1 1 18 18 GLN HG2 H 1 2.554 0.03 . 2 . . . A 49 GLN HG2 . 17835 1 230 . 1 1 18 18 GLN HG3 H 1 2.414 0.03 . 2 . . . A 49 GLN HG3 . 17835 1 231 . 1 1 18 18 GLN HE21 H 1 6.829 0.03 . 2 . . . A 49 GLN HE21 . 17835 1 232 . 1 1 18 18 GLN HE22 H 1 7.506 0.03 . 2 . . . A 49 GLN HE22 . 17835 1 233 . 1 1 18 18 GLN C C 13 177.304 0.30 . 1 . . . A 49 GLN C . 17835 1 234 . 1 1 18 18 GLN CA C 13 58.668 0.30 . 1 . . . A 49 GLN CA . 17835 1 235 . 1 1 18 18 GLN CB C 13 28.274 0.30 . 1 . . . A 49 GLN CB . 17835 1 236 . 1 1 18 18 GLN CG C 13 34.130 0.30 . 1 . . . A 49 GLN CG . 17835 1 237 . 1 1 18 18 GLN N N 15 117.835 0.30 . 1 . . . A 49 GLN N . 17835 1 238 . 1 1 18 18 GLN NE2 N 15 111.485 0.30 . 1 . . . A 49 GLN NE2 . 17835 1 239 . 1 1 19 19 SER H H 1 7.461 0.03 . 1 . . . A 50 SER H . 17835 1 240 . 1 1 19 19 SER HA H 1 4.386 0.03 . 1 . . . A 50 SER HA . 17835 1 241 . 1 1 19 19 SER HB2 H 1 4.003 0.03 . 2 . . . A 50 SER HB2 . 17835 1 242 . 1 1 19 19 SER HB3 H 1 3.833 0.03 . 2 . . . A 50 SER HB3 . 17835 1 243 . 1 1 19 19 SER C C 13 173.630 0.30 . 1 . . . A 50 SER C . 17835 1 244 . 1 1 19 19 SER CA C 13 59.252 0.30 . 1 . . . A 50 SER CA . 17835 1 245 . 1 1 19 19 SER CB C 13 63.600 0.30 . 1 . . . A 50 SER CB . 17835 1 246 . 1 1 19 19 SER N N 15 111.043 0.30 . 1 . . . A 50 SER N . 17835 1 247 . 1 1 20 20 HIS H H 1 7.692 0.03 . 1 . . . A 51 HIS H . 17835 1 248 . 1 1 20 20 HIS HA H 1 4.824 0.03 . 1 . . . A 51 HIS HA . 17835 1 249 . 1 1 20 20 HIS HB2 H 1 3.094 0.03 . 2 . . . A 51 HIS HB2 . 17835 1 250 . 1 1 20 20 HIS HB3 H 1 2.894 0.03 . 2 . . . A 51 HIS HB3 . 17835 1 251 . 1 1 20 20 HIS HD2 H 1 7.515 0.03 . 1 . . . A 51 HIS HD2 . 17835 1 252 . 1 1 20 20 HIS HE1 H 1 8.584 0.03 . 1 . . . A 51 HIS HE1 . 17835 1 253 . 1 1 20 20 HIS C C 13 174.835 0.30 . 1 . . . A 51 HIS C . 17835 1 254 . 1 1 20 20 HIS CA C 13 54.386 0.30 . 1 . . . A 51 HIS CA . 17835 1 255 . 1 1 20 20 HIS CB C 13 28.657 0.30 . 1 . . . A 51 HIS CB . 17835 1 256 . 1 1 20 20 HIS CD2 C 13 120.864 0.30 . 1 . . . A 51 HIS CD2 . 17835 1 257 . 1 1 20 20 HIS CE1 C 13 136.410 0.30 . 1 . . . A 51 HIS CE1 . 17835 1 258 . 1 1 20 20 HIS N N 15 121.324 0.30 . 1 . . . A 51 HIS N . 17835 1 259 . 1 1 21 21 LYS H H 1 8.809 0.03 . 1 . . . A 52 LYS H . 17835 1 260 . 1 1 21 21 LYS HA H 1 4.161 0.03 . 1 . . . A 52 LYS HA . 17835 1 261 . 1 1 21 21 LYS HB2 H 1 1.856 0.03 . 2 . . . A 52 LYS HB2 . 17835 1 262 . 1 1 21 21 LYS HB3 H 1 1.856 0.03 . 2 . . . A 52 LYS HB3 . 17835 1 263 . 1 1 21 21 LYS HG2 H 1 1.496 0.03 . 2 . . . A 52 LYS HG2 . 17835 1 264 . 1 1 21 21 LYS HG3 H 1 1.496 0.03 . 2 . . . A 52 LYS HG3 . 17835 1 265 . 1 1 21 21 LYS HD2 H 1 1.720 0.03 . 2 . . . A 52 LYS HD2 . 17835 1 266 . 1 1 21 21 LYS HD3 H 1 1.528 0.03 . 2 . . . A 52 LYS HD3 . 17835 1 267 . 1 1 21 21 LYS HE2 H 1 3.012 0.03 . 2 . . . A 52 LYS HE2 . 17835 1 268 . 1 1 21 21 LYS HE3 H 1 3.012 0.03 . 2 . . . A 52 LYS HE3 . 17835 1 269 . 1 1 21 21 LYS C C 13 177.562 0.30 . 1 . . . A 52 LYS C . 17835 1 270 . 1 1 21 21 LYS CA C 13 59.316 0.30 . 1 . . . A 52 LYS CA . 17835 1 271 . 1 1 21 21 LYS CB C 13 32.202 0.30 . 1 . . . A 52 LYS CB . 17835 1 272 . 1 1 21 21 LYS CG C 13 24.843 0.30 . 1 . . . A 52 LYS CG . 17835 1 273 . 1 1 21 21 LYS CD C 13 28.920 0.30 . 1 . . . A 52 LYS CD . 17835 1 274 . 1 1 21 21 LYS CE C 13 42.104 0.30 . 1 . . . A 52 LYS CE . 17835 1 275 . 1 1 21 21 LYS N N 15 123.925 0.30 . 1 . . . A 52 LYS N . 17835 1 276 . 1 1 22 22 ASN H H 1 8.784 0.03 . 1 . . . A 53 ASN H . 17835 1 277 . 1 1 22 22 ASN HA H 1 5.073 0.03 . 1 . . . A 53 ASN HA . 17835 1 278 . 1 1 22 22 ASN HB2 H 1 3.066 0.03 . 2 . . . A 53 ASN HB2 . 17835 1 279 . 1 1 22 22 ASN HB3 H 1 2.778 0.03 . 2 . . . A 53 ASN HB3 . 17835 1 280 . 1 1 22 22 ASN HD21 H 1 6.993 0.03 . 2 . . . A 53 ASN HD21 . 17835 1 281 . 1 1 22 22 ASN HD22 H 1 7.675 0.03 . 2 . . . A 53 ASN HD22 . 17835 1 282 . 1 1 22 22 ASN C C 13 174.783 0.30 . 1 . . . A 53 ASN C . 17835 1 283 . 1 1 22 22 ASN CA C 13 52.835 0.30 . 1 . . . A 53 ASN CA . 17835 1 284 . 1 1 22 22 ASN CB C 13 38.540 0.30 . 1 . . . A 53 ASN CB . 17835 1 285 . 1 1 22 22 ASN N N 15 115.473 0.30 . 1 . . . A 53 ASN N . 17835 1 286 . 1 1 22 22 ASN ND2 N 15 113.216 0.30 . 1 . . . A 53 ASN ND2 . 17835 1 287 . 1 1 23 23 GLY H H 1 7.743 0.03 . 1 . . . A 54 GLY H . 17835 1 288 . 1 1 23 23 GLY HA2 H 1 3.669 0.03 . 2 . . . A 54 GLY HA2 . 17835 1 289 . 1 1 23 23 GLY HA3 H 1 3.388 0.03 . 2 . . . A 54 GLY HA3 . 17835 1 290 . 1 1 23 23 GLY C C 13 172.572 0.30 . 1 . . . A 54 GLY C . 17835 1 291 . 1 1 23 23 GLY CA C 13 44.739 0.30 . 1 . . . A 54 GLY CA . 17835 1 292 . 1 1 23 23 GLY N N 15 107.402 0.30 . 1 . . . A 54 GLY N . 17835 1 293 . 1 1 24 24 ILE H H 1 8.509 0.03 . 1 . . . A 55 ILE H . 17835 1 294 . 1 1 24 24 ILE HA H 1 4.272 0.03 . 1 . . . A 55 ILE HA . 17835 1 295 . 1 1 24 24 ILE HB H 1 1.085 0.03 . 1 . . . A 55 ILE HB . 17835 1 296 . 1 1 24 24 ILE HG12 H 1 1.279 0.03 . 1 . . . A 55 ILE HG12 . 17835 1 297 . 1 1 24 24 ILE HG13 H 1 0.539 0.03 . 1 . . . A 55 ILE HG13 . 17835 1 298 . 1 1 24 24 ILE HG21 H 1 0.628 0.03 . 1 . . . A 55 ILE HG21 . 17835 1 299 . 1 1 24 24 ILE HG22 H 1 0.628 0.03 . 1 . . . A 55 ILE HG22 . 17835 1 300 . 1 1 24 24 ILE HG23 H 1 0.628 0.03 . 1 . . . A 55 ILE HG23 . 17835 1 301 . 1 1 24 24 ILE HD11 H 1 0.272 0.03 . 1 . . . A 55 ILE HD11 . 17835 1 302 . 1 1 24 24 ILE HD12 H 1 0.272 0.03 . 1 . . . A 55 ILE HD12 . 17835 1 303 . 1 1 24 24 ILE HD13 H 1 0.272 0.03 . 1 . . . A 55 ILE HD13 . 17835 1 304 . 1 1 24 24 ILE C C 13 175.452 0.30 . 1 . . . A 55 ILE C . 17835 1 305 . 1 1 24 24 ILE CA C 13 59.468 0.30 . 1 . . . A 55 ILE CA . 17835 1 306 . 1 1 24 24 ILE CB C 13 41.833 0.30 . 1 . . . A 55 ILE CB . 17835 1 307 . 1 1 24 24 ILE CG1 C 13 27.110 0.30 . 1 . . . A 55 ILE CG1 . 17835 1 308 . 1 1 24 24 ILE CG2 C 13 16.046 0.30 . 1 . . . A 55 ILE CG2 . 17835 1 309 . 1 1 24 24 ILE CD1 C 13 14.332 0.30 . 1 . . . A 55 ILE CD1 . 17835 1 310 . 1 1 24 24 ILE N N 15 117.796 0.30 . 1 . . . A 55 ILE N . 17835 1 311 . 1 1 25 25 VAL H H 1 8.524 0.03 . 1 . . . A 56 VAL H . 17835 1 312 . 1 1 25 25 VAL HA H 1 4.585 0.03 . 1 . . . A 56 VAL HA . 17835 1 313 . 1 1 25 25 VAL HB H 1 2.214 0.03 . 1 . . . A 56 VAL HB . 17835 1 314 . 1 1 25 25 VAL HG11 H 1 0.970 0.03 . 2 . . . A 56 VAL HG11 . 17835 1 315 . 1 1 25 25 VAL HG12 H 1 0.970 0.03 . 2 . . . A 56 VAL HG12 . 17835 1 316 . 1 1 25 25 VAL HG13 H 1 0.970 0.03 . 2 . . . A 56 VAL HG13 . 17835 1 317 . 1 1 25 25 VAL HG21 H 1 0.991 0.03 . 2 . . . A 56 VAL HG21 . 17835 1 318 . 1 1 25 25 VAL HG22 H 1 0.991 0.03 . 2 . . . A 56 VAL HG22 . 17835 1 319 . 1 1 25 25 VAL HG23 H 1 0.991 0.03 . 2 . . . A 56 VAL HG23 . 17835 1 320 . 1 1 25 25 VAL C C 13 177.566 0.30 . 1 . . . A 56 VAL C . 17835 1 321 . 1 1 25 25 VAL CA C 13 62.227 0.30 . 1 . . . A 56 VAL CA . 17835 1 322 . 1 1 25 25 VAL CB C 13 31.945 0.30 . 1 . . . A 56 VAL CB . 17835 1 323 . 1 1 25 25 VAL CG1 C 13 19.684 0.30 . 1 . . . A 56 VAL CG1 . 17835 1 324 . 1 1 25 25 VAL CG2 C 13 21.844 0.30 . 1 . . . A 56 VAL CG2 . 17835 1 325 . 1 1 25 25 VAL N N 15 124.597 0.30 . 1 . . . A 56 VAL N . 17835 1 326 . 1 1 26 26 LEU H H 1 8.816 0.03 . 1 . . . A 57 LEU H . 17835 1 327 . 1 1 26 26 LEU HA H 1 4.011 0.03 . 1 . . . A 57 LEU HA . 17835 1 328 . 1 1 26 26 LEU HB2 H 1 1.963 0.03 . 2 . . . A 57 LEU HB2 . 17835 1 329 . 1 1 26 26 LEU HB3 H 1 1.249 0.03 . 2 . . . A 57 LEU HB3 . 17835 1 330 . 1 1 26 26 LEU HG H 1 1.560 0.03 . 1 . . . A 57 LEU HG . 17835 1 331 . 1 1 26 26 LEU HD11 H 1 0.777 0.03 . 2 . . . A 57 LEU HD11 . 17835 1 332 . 1 1 26 26 LEU HD12 H 1 0.777 0.03 . 2 . . . A 57 LEU HD12 . 17835 1 333 . 1 1 26 26 LEU HD13 H 1 0.777 0.03 . 2 . . . A 57 LEU HD13 . 17835 1 334 . 1 1 26 26 LEU HD21 H 1 0.668 0.03 . 2 . . . A 57 LEU HD21 . 17835 1 335 . 1 1 26 26 LEU HD22 H 1 0.668 0.03 . 2 . . . A 57 LEU HD22 . 17835 1 336 . 1 1 26 26 LEU HD23 H 1 0.668 0.03 . 2 . . . A 57 LEU HD23 . 17835 1 337 . 1 1 26 26 LEU C C 13 175.569 0.30 . 1 . . . A 57 LEU C . 17835 1 338 . 1 1 26 26 LEU CA C 13 60.394 0.30 . 1 . . . A 57 LEU CA . 17835 1 339 . 1 1 26 26 LEU CB C 13 39.402 0.30 . 1 . . . A 57 LEU CB . 17835 1 340 . 1 1 26 26 LEU CG C 13 26.992 0.30 . 1 . . . A 57 LEU CG . 17835 1 341 . 1 1 26 26 LEU CD1 C 13 25.822 0.30 . 1 . . . A 57 LEU CD1 . 17835 1 342 . 1 1 26 26 LEU CD2 C 13 25.034 0.30 . 1 . . . A 57 LEU CD2 . 17835 1 343 . 1 1 26 26 LEU N N 15 124.858 0.30 . 1 . . . A 57 LEU N . 17835 1 344 . 1 1 27 27 PRO HA H 1 4.401 0.03 . 1 . . . A 58 PRO HA . 17835 1 345 . 1 1 27 27 PRO HB2 H 1 2.402 0.03 . 2 . . . A 58 PRO HB2 . 17835 1 346 . 1 1 27 27 PRO HB3 H 1 1.804 0.03 . 2 . . . A 58 PRO HB3 . 17835 1 347 . 1 1 27 27 PRO HG2 H 1 2.016 0.03 . 2 . . . A 58 PRO HG2 . 17835 1 348 . 1 1 27 27 PRO HG3 H 1 1.968 0.03 . 2 . . . A 58 PRO HG3 . 17835 1 349 . 1 1 27 27 PRO HD2 H 1 3.849 0.03 . 2 . . . A 58 PRO HD2 . 17835 1 350 . 1 1 27 27 PRO HD3 H 1 3.631 0.03 . 2 . . . A 58 PRO HD3 . 17835 1 351 . 1 1 27 27 PRO C C 13 177.600 0.30 . 1 . . . A 58 PRO C . 17835 1 352 . 1 1 27 27 PRO CA C 13 65.549 0.30 . 1 . . . A 58 PRO CA . 17835 1 353 . 1 1 27 27 PRO CB C 13 31.458 0.30 . 1 . . . A 58 PRO CB . 17835 1 354 . 1 1 27 27 PRO CG C 13 28.172 0.30 . 1 . . . A 58 PRO CG . 17835 1 355 . 1 1 27 27 PRO CD C 13 50.690 0.30 . 1 . . . A 58 PRO CD . 17835 1 356 . 1 1 28 28 ARG H H 1 7.869 0.03 . 1 . . . A 59 ARG H . 17835 1 357 . 1 1 28 28 ARG HA H 1 4.511 0.03 . 1 . . . A 59 ARG HA . 17835 1 358 . 1 1 28 28 ARG HB2 H 1 2.055 0.03 . 2 . . . A 59 ARG HB2 . 17835 1 359 . 1 1 28 28 ARG HB3 H 1 1.775 0.03 . 2 . . . A 59 ARG HB3 . 17835 1 360 . 1 1 28 28 ARG HG2 H 1 1.614 0.03 . 2 . . . A 59 ARG HG2 . 17835 1 361 . 1 1 28 28 ARG HG3 H 1 1.543 0.03 . 2 . . . A 59 ARG HG3 . 17835 1 362 . 1 1 28 28 ARG HD2 H 1 3.225 0.03 . 2 . . . A 59 ARG HD2 . 17835 1 363 . 1 1 28 28 ARG HD3 H 1 3.173 0.03 . 2 . . . A 59 ARG HD3 . 17835 1 364 . 1 1 28 28 ARG HE H 1 7.408 0.03 . 1 . . . A 59 ARG HE . 17835 1 365 . 1 1 28 28 ARG C C 13 177.152 0.30 . 1 . . . A 59 ARG C . 17835 1 366 . 1 1 28 28 ARG CA C 13 55.853 0.30 . 1 . . . A 59 ARG CA . 17835 1 367 . 1 1 28 28 ARG CB C 13 30.981 0.30 . 1 . . . A 59 ARG CB . 17835 1 368 . 1 1 28 28 ARG CG C 13 27.582 0.30 . 1 . . . A 59 ARG CG . 17835 1 369 . 1 1 28 28 ARG CD C 13 42.700 0.30 . 1 . . . A 59 ARG CD . 17835 1 370 . 1 1 28 28 ARG N N 15 115.136 0.30 . 1 . . . A 59 ARG N . 17835 1 371 . 1 1 28 28 ARG NE N 15 84.124 0.30 . 1 . . . A 59 ARG NE . 17835 1 372 . 1 1 29 29 LEU H H 1 7.870 0.03 . 1 . . . A 60 LEU H . 17835 1 373 . 1 1 29 29 LEU HA H 1 3.842 0.03 . 1 . . . A 60 LEU HA . 17835 1 374 . 1 1 29 29 LEU HB2 H 1 1.955 0.03 . 2 . . . A 60 LEU HB2 . 17835 1 375 . 1 1 29 29 LEU HB3 H 1 1.308 0.03 . 2 . . . A 60 LEU HB3 . 17835 1 376 . 1 1 29 29 LEU HG H 1 1.537 0.03 . 1 . . . A 60 LEU HG . 17835 1 377 . 1 1 29 29 LEU HD11 H 1 0.808 0.03 . 2 . . . A 60 LEU HD11 . 17835 1 378 . 1 1 29 29 LEU HD12 H 1 0.808 0.03 . 2 . . . A 60 LEU HD12 . 17835 1 379 . 1 1 29 29 LEU HD13 H 1 0.808 0.03 . 2 . . . A 60 LEU HD13 . 17835 1 380 . 1 1 29 29 LEU HD21 H 1 0.808 0.03 . 2 . . . A 60 LEU HD21 . 17835 1 381 . 1 1 29 29 LEU HD22 H 1 0.808 0.03 . 2 . . . A 60 LEU HD22 . 17835 1 382 . 1 1 29 29 LEU HD23 H 1 0.808 0.03 . 2 . . . A 60 LEU HD23 . 17835 1 383 . 1 1 29 29 LEU C C 13 177.872 0.30 . 1 . . . A 60 LEU C . 17835 1 384 . 1 1 29 29 LEU CA C 13 59.458 0.30 . 1 . . . A 60 LEU CA . 17835 1 385 . 1 1 29 29 LEU CB C 13 42.326 0.30 . 1 . . . A 60 LEU CB . 17835 1 386 . 1 1 29 29 LEU CG C 13 27.261 0.30 . 1 . . . A 60 LEU CG . 17835 1 387 . 1 1 29 29 LEU CD1 C 13 23.724 0.30 . 1 . . . A 60 LEU CD1 . 17835 1 388 . 1 1 29 29 LEU CD2 C 13 23.724 0.30 . 1 . . . A 60 LEU CD2 . 17835 1 389 . 1 1 29 29 LEU N N 15 122.984 0.30 . 1 . . . A 60 LEU N . 17835 1 390 . 1 1 30 30 GLN H H 1 9.217 0.03 . 1 . . . A 61 GLN H . 17835 1 391 . 1 1 30 30 GLN HA H 1 4.689 0.03 . 1 . . . A 61 GLN HA . 17835 1 392 . 1 1 30 30 GLN HB2 H 1 2.462 0.03 . 2 . . . A 61 GLN HB2 . 17835 1 393 . 1 1 30 30 GLN HB3 H 1 2.020 0.03 . 2 . . . A 61 GLN HB3 . 17835 1 394 . 1 1 30 30 GLN HG2 H 1 2.553 0.03 . 2 . . . A 61 GLN HG2 . 17835 1 395 . 1 1 30 30 GLN HG3 H 1 2.393 0.03 . 2 . . . A 61 GLN HG3 . 17835 1 396 . 1 1 30 30 GLN HE21 H 1 6.443 0.03 . 2 . . . A 61 GLN HE21 . 17835 1 397 . 1 1 30 30 GLN HE22 H 1 7.770 0.03 . 2 . . . A 61 GLN HE22 . 17835 1 398 . 1 1 30 30 GLN C C 13 178.888 0.30 . 1 . . . A 61 GLN C . 17835 1 399 . 1 1 30 30 GLN CA C 13 60.243 0.30 . 1 . . . A 61 GLN CA . 17835 1 400 . 1 1 30 30 GLN CB C 13 27.811 0.30 . 1 . . . A 61 GLN CB . 17835 1 401 . 1 1 30 30 GLN CG C 13 32.368 0.30 . 1 . . . A 61 GLN CG . 17835 1 402 . 1 1 30 30 GLN N N 15 117.382 0.30 . 1 . . . A 61 GLN N . 17835 1 403 . 1 1 30 30 GLN NE2 N 15 105.739 0.30 . 1 . . . A 61 GLN NE2 . 17835 1 404 . 1 1 31 31 GLY H H 1 8.680 0.03 . 1 . . . A 62 GLY H . 17835 1 405 . 1 1 31 31 GLY HA2 H 1 4.062 0.03 . 2 . . . A 62 GLY HA2 . 17835 1 406 . 1 1 31 31 GLY HA3 H 1 3.959 0.03 . 2 . . . A 62 GLY HA3 . 17835 1 407 . 1 1 31 31 GLY C C 13 177.579 0.30 . 1 . . . A 62 GLY C . 17835 1 408 . 1 1 31 31 GLY CA C 13 47.254 0.30 . 1 . . . A 62 GLY CA . 17835 1 409 . 1 1 31 31 GLY N N 15 105.066 0.30 . 1 . . . A 62 GLY N . 17835 1 410 . 1 1 32 32 GLU H H 1 8.063 0.03 . 1 . . . A 63 GLU H . 17835 1 411 . 1 1 32 32 GLU HA H 1 4.274 0.03 . 1 . . . A 63 GLU HA . 17835 1 412 . 1 1 32 32 GLU HB2 H 1 2.022 0.03 . 2 . . . A 63 GLU HB2 . 17835 1 413 . 1 1 32 32 GLU HB3 H 1 1.893 0.03 . 2 . . . A 63 GLU HB3 . 17835 1 414 . 1 1 32 32 GLU HG2 H 1 2.140 0.03 . 2 . . . A 63 GLU HG2 . 17835 1 415 . 1 1 32 32 GLU HG3 H 1 2.413 0.03 . 2 . . . A 63 GLU HG3 . 17835 1 416 . 1 1 32 32 GLU C C 13 179.316 0.30 . 1 . . . A 63 GLU C . 17835 1 417 . 1 1 32 32 GLU CA C 13 59.068 0.30 . 1 . . . A 63 GLU CA . 17835 1 418 . 1 1 32 32 GLU CB C 13 29.077 0.30 . 1 . . . A 63 GLU CB . 17835 1 419 . 1 1 32 32 GLU CG C 13 35.568 0.30 . 1 . . . A 63 GLU CG . 17835 1 420 . 1 1 32 32 GLU N N 15 121.593 0.30 . 1 . . . A 63 GLU N . 17835 1 421 . 1 1 33 33 TYR H H 1 9.063 0.03 . 1 . . . A 64 TYR H . 17835 1 422 . 1 1 33 33 TYR HA H 1 4.083 0.03 . 1 . . . A 64 TYR HA . 17835 1 423 . 1 1 33 33 TYR HB2 H 1 3.495 0.03 . 2 . . . A 64 TYR HB2 . 17835 1 424 . 1 1 33 33 TYR HB3 H 1 2.777 0.03 . 2 . . . A 64 TYR HB3 . 17835 1 425 . 1 1 33 33 TYR HD1 H 1 7.031 0.03 . 3 . . . A 64 TYR HD1 . 17835 1 426 . 1 1 33 33 TYR HD2 H 1 7.031 0.03 . 3 . . . A 64 TYR HD2 . 17835 1 427 . 1 1 33 33 TYR HE1 H 1 6.613 0.03 . 3 . . . A 64 TYR HE1 . 17835 1 428 . 1 1 33 33 TYR HE2 H 1 6.613 0.03 . 3 . . . A 64 TYR HE2 . 17835 1 429 . 1 1 33 33 TYR C C 13 178.379 0.30 . 1 . . . A 64 TYR C . 17835 1 430 . 1 1 33 33 TYR CA C 13 62.406 0.30 . 1 . . . A 64 TYR CA . 17835 1 431 . 1 1 33 33 TYR CB C 13 39.405 0.30 . 1 . . . A 64 TYR CB . 17835 1 432 . 1 1 33 33 TYR CD1 C 13 130.674 0.30 . 3 . . . A 64 TYR CD1 . 17835 1 433 . 1 1 33 33 TYR CD2 C 13 130.674 0.30 . 3 . . . A 64 TYR CD2 . 17835 1 434 . 1 1 33 33 TYR CE1 C 13 118.471 0.30 . 3 . . . A 64 TYR CE1 . 17835 1 435 . 1 1 33 33 TYR CE2 C 13 118.471 0.30 . 3 . . . A 64 TYR CE2 . 17835 1 436 . 1 1 33 33 TYR N N 15 123.143 0.30 . 1 . . . A 64 TYR N . 17835 1 437 . 1 1 34 34 ARG H H 1 9.321 0.03 . 1 . . . A 65 ARG H . 17835 1 438 . 1 1 34 34 ARG HA H 1 4.281 0.03 . 1 . . . A 65 ARG HA . 17835 1 439 . 1 1 34 34 ARG HB2 H 1 1.573 0.03 . 2 . . . A 65 ARG HB2 . 17835 1 440 . 1 1 34 34 ARG HB3 H 1 1.391 0.03 . 2 . . . A 65 ARG HB3 . 17835 1 441 . 1 1 34 34 ARG HG2 H 1 0.943 0.03 . 2 . . . A 65 ARG HG2 . 17835 1 442 . 1 1 34 34 ARG HG3 H 1 0.443 0.03 . 2 . . . A 65 ARG HG3 . 17835 1 443 . 1 1 34 34 ARG HD2 H 1 1.041 0.03 . 2 . . . A 65 ARG HD2 . 17835 1 444 . 1 1 34 34 ARG HD3 H 1 1.719 0.03 . 2 . . . A 65 ARG HD3 . 17835 1 445 . 1 1 34 34 ARG HE H 1 6.497 0.03 . 1 . . . A 65 ARG HE . 17835 1 446 . 1 1 34 34 ARG C C 13 180.186 0.30 . 1 . . . A 65 ARG C . 17835 1 447 . 1 1 34 34 ARG CA C 13 58.908 0.30 . 1 . . . A 65 ARG CA . 17835 1 448 . 1 1 34 34 ARG CB C 13 29.708 0.30 . 1 . . . A 65 ARG CB . 17835 1 449 . 1 1 34 34 ARG CG C 13 26.848 0.30 . 1 . . . A 65 ARG CG . 17835 1 450 . 1 1 34 34 ARG CD C 13 41.879 0.30 . 1 . . . A 65 ARG CD . 17835 1 451 . 1 1 34 34 ARG N N 15 123.458 0.30 . 1 . . . A 65 ARG N . 17835 1 452 . 1 1 34 34 ARG NE N 15 85.173 0.30 . 1 . . . A 65 ARG NE . 17835 1 453 . 1 1 35 35 SER H H 1 8.078 0.03 . 1 . . . A 66 SER H . 17835 1 454 . 1 1 35 35 SER HA H 1 4.048 0.03 . 1 . . . A 66 SER HA . 17835 1 455 . 1 1 35 35 SER HB2 H 1 3.996 0.03 . 2 . . . A 66 SER HB2 . 17835 1 456 . 1 1 35 35 SER HB3 H 1 3.944 0.03 . 2 . . . A 66 SER HB3 . 17835 1 457 . 1 1 35 35 SER C C 13 175.063 0.30 . 1 . . . A 66 SER C . 17835 1 458 . 1 1 35 35 SER CA C 13 61.856 0.30 . 1 . . . A 66 SER CA . 17835 1 459 . 1 1 35 35 SER CB C 13 62.779 0.30 . 1 . . . A 66 SER CB . 17835 1 460 . 1 1 35 35 SER N N 15 116.071 0.30 . 1 . . . A 66 SER N . 17835 1 461 . 1 1 36 36 LEU H H 1 7.167 0.03 . 1 . . . A 67 LEU H . 17835 1 462 . 1 1 36 36 LEU HA H 1 4.342 0.03 . 1 . . . A 67 LEU HA . 17835 1 463 . 1 1 36 36 LEU HB2 H 1 1.627 0.03 . 2 . . . A 67 LEU HB2 . 17835 1 464 . 1 1 36 36 LEU HB3 H 1 1.507 0.03 . 2 . . . A 67 LEU HB3 . 17835 1 465 . 1 1 36 36 LEU HG H 1 1.411 0.03 . 1 . . . A 67 LEU HG . 17835 1 466 . 1 1 36 36 LEU HD11 H 1 0.806 0.03 . 2 . . . A 67 LEU HD11 . 17835 1 467 . 1 1 36 36 LEU HD12 H 1 0.806 0.03 . 2 . . . A 67 LEU HD12 . 17835 1 468 . 1 1 36 36 LEU HD13 H 1 0.806 0.03 . 2 . . . A 67 LEU HD13 . 17835 1 469 . 1 1 36 36 LEU HD21 H 1 0.873 0.03 . 2 . . . A 67 LEU HD21 . 17835 1 470 . 1 1 36 36 LEU HD22 H 1 0.873 0.03 . 2 . . . A 67 LEU HD22 . 17835 1 471 . 1 1 36 36 LEU HD23 H 1 0.873 0.03 . 2 . . . A 67 LEU HD23 . 17835 1 472 . 1 1 36 36 LEU C C 13 178.400 0.30 . 1 . . . A 67 LEU C . 17835 1 473 . 1 1 36 36 LEU CA C 13 57.073 0.30 . 1 . . . A 67 LEU CA . 17835 1 474 . 1 1 36 36 LEU CB C 13 43.132 0.30 . 1 . . . A 67 LEU CB . 17835 1 475 . 1 1 36 36 LEU CG C 13 27.290 0.30 . 1 . . . A 67 LEU CG . 17835 1 476 . 1 1 36 36 LEU CD1 C 13 26.089 0.30 . 1 . . . A 67 LEU CD1 . 17835 1 477 . 1 1 36 36 LEU CD2 C 13 23.577 0.30 . 1 . . . A 67 LEU CD2 . 17835 1 478 . 1 1 36 36 LEU N N 15 118.571 0.30 . 1 . . . A 67 LEU N . 17835 1 479 . 1 1 37 37 THR H H 1 8.168 0.03 . 1 . . . A 68 THR H . 17835 1 480 . 1 1 37 37 THR HA H 1 4.163 0.03 . 1 . . . A 68 THR HA . 17835 1 481 . 1 1 37 37 THR HB H 1 4.124 0.03 . 1 . . . A 68 THR HB . 17835 1 482 . 1 1 37 37 THR HG21 H 1 0.574 0.03 . 1 . . . A 68 THR HG21 . 17835 1 483 . 1 1 37 37 THR HG22 H 1 0.574 0.03 . 1 . . . A 68 THR HG22 . 17835 1 484 . 1 1 37 37 THR HG23 H 1 0.574 0.03 . 1 . . . A 68 THR HG23 . 17835 1 485 . 1 1 37 37 THR C C 13 176.259 0.30 . 1 . . . A 68 THR C . 17835 1 486 . 1 1 37 37 THR CA C 13 62.637 0.30 . 1 . . . A 68 THR CA . 17835 1 487 . 1 1 37 37 THR CB C 13 71.659 0.30 . 1 . . . A 68 THR CB . 17835 1 488 . 1 1 37 37 THR CG2 C 13 19.752 0.30 . 1 . . . A 68 THR CG2 . 17835 1 489 . 1 1 37 37 THR N N 15 106.425 0.30 . 1 . . . A 68 THR N . 17835 1 490 . 1 1 38 38 GLY H H 1 8.759 0.03 . 1 . . . A 69 GLY H . 17835 1 491 . 1 1 38 38 GLY HA2 H 1 4.210 0.03 . 2 . . . A 69 GLY HA2 . 17835 1 492 . 1 1 38 38 GLY HA3 H 1 3.515 0.03 . 2 . . . A 69 GLY HA3 . 17835 1 493 . 1 1 38 38 GLY C C 13 172.464 0.30 . 1 . . . A 69 GLY C . 17835 1 494 . 1 1 38 38 GLY CA C 13 45.225 0.30 . 1 . . . A 69 GLY CA . 17835 1 495 . 1 1 38 38 GLY N N 15 112.162 0.30 . 1 . . . A 69 GLY N . 17835 1 496 . 1 1 39 39 ASP H H 1 8.414 0.03 . 1 . . . A 70 ASP H . 17835 1 497 . 1 1 39 39 ASP HA H 1 4.733 0.03 . 1 . . . A 70 ASP HA . 17835 1 498 . 1 1 39 39 ASP HB2 H 1 2.896 0.03 . 2 . . . A 70 ASP HB2 . 17835 1 499 . 1 1 39 39 ASP HB3 H 1 2.468 0.03 . 2 . . . A 70 ASP HB3 . 17835 1 500 . 1 1 39 39 ASP C C 13 173.861 0.30 . 1 . . . A 70 ASP C . 17835 1 501 . 1 1 39 39 ASP CA C 13 52.159 0.30 . 1 . . . A 70 ASP CA . 17835 1 502 . 1 1 39 39 ASP CB C 13 44.573 0.30 . 1 . . . A 70 ASP CB . 17835 1 503 . 1 1 39 39 ASP N N 15 121.106 0.30 . 1 . . . A 70 ASP N . 17835 1 504 . 1 1 40 40 TRP H H 1 8.016 0.03 . 1 . . . A 71 TRP H . 17835 1 505 . 1 1 40 40 TRP HA H 1 5.107 0.03 . 1 . . . A 71 TRP HA . 17835 1 506 . 1 1 40 40 TRP HB2 H 1 3.370 0.03 . 2 . . . A 71 TRP HB2 . 17835 1 507 . 1 1 40 40 TRP HB3 H 1 2.798 0.03 . 2 . . . A 71 TRP HB3 . 17835 1 508 . 1 1 40 40 TRP HD1 H 1 7.280 0.03 . 1 . . . A 71 TRP HD1 . 17835 1 509 . 1 1 40 40 TRP HE1 H 1 10.273 0.03 . 1 . . . A 71 TRP HE1 . 17835 1 510 . 1 1 40 40 TRP HE3 H 1 7.850 0.03 . 1 . . . A 71 TRP HE3 . 17835 1 511 . 1 1 40 40 TRP HZ2 H 1 7.464 0.03 . 1 . . . A 71 TRP HZ2 . 17835 1 512 . 1 1 40 40 TRP HZ3 H 1 6.827 0.03 . 1 . . . A 71 TRP HZ3 . 17835 1 513 . 1 1 40 40 TRP HH2 H 1 7.227 0.03 . 1 . . . A 71 TRP HH2 . 17835 1 514 . 1 1 40 40 TRP C C 13 177.125 0.30 . 1 . . . A 71 TRP C . 17835 1 515 . 1 1 40 40 TRP CA C 13 54.889 0.30 . 1 . . . A 71 TRP CA . 17835 1 516 . 1 1 40 40 TRP CB C 13 31.592 0.30 . 1 . . . A 71 TRP CB . 17835 1 517 . 1 1 40 40 TRP CD1 C 13 128.240 0.30 . 1 . . . A 71 TRP CD1 . 17835 1 518 . 1 1 40 40 TRP CE3 C 13 121.982 0.30 . 1 . . . A 71 TRP CE3 . 17835 1 519 . 1 1 40 40 TRP CZ2 C 13 115.147 0.30 . 1 . . . A 71 TRP CZ2 . 17835 1 520 . 1 1 40 40 TRP CZ3 C 13 121.823 0.30 . 1 . . . A 71 TRP CZ3 . 17835 1 521 . 1 1 40 40 TRP CH2 C 13 125.415 0.30 . 1 . . . A 71 TRP CH2 . 17835 1 522 . 1 1 40 40 TRP N N 15 115.206 0.30 . 1 . . . A 71 TRP N . 17835 1 523 . 1 1 40 40 TRP NE1 N 15 129.390 0.30 . 1 . . . A 71 TRP NE1 . 17835 1 524 . 1 1 41 41 ILE H H 1 10.079 0.03 . 1 . . . A 72 ILE H . 17835 1 525 . 1 1 41 41 ILE HA H 1 3.512 0.03 . 1 . . . A 72 ILE HA . 17835 1 526 . 1 1 41 41 ILE HB H 1 1.619 0.03 . 1 . . . A 72 ILE HB . 17835 1 527 . 1 1 41 41 ILE HG12 H 1 1.038 0.03 . 1 . . . A 72 ILE HG12 . 17835 1 528 . 1 1 41 41 ILE HG13 H 1 -0.716 0.03 . 1 . . . A 72 ILE HG13 . 17835 1 529 . 1 1 41 41 ILE HG21 H 1 0.384 0.03 . 1 . . . A 72 ILE HG21 . 17835 1 530 . 1 1 41 41 ILE HG22 H 1 0.384 0.03 . 1 . . . A 72 ILE HG22 . 17835 1 531 . 1 1 41 41 ILE HG23 H 1 0.384 0.03 . 1 . . . A 72 ILE HG23 . 17835 1 532 . 1 1 41 41 ILE HD11 H 1 0.520 0.03 . 1 . . . A 72 ILE HD11 . 17835 1 533 . 1 1 41 41 ILE HD12 H 1 0.520 0.03 . 1 . . . A 72 ILE HD12 . 17835 1 534 . 1 1 41 41 ILE HD13 H 1 0.520 0.03 . 1 . . . A 72 ILE HD13 . 17835 1 535 . 1 1 41 41 ILE C C 13 177.199 0.30 . 1 . . . A 72 ILE C . 17835 1 536 . 1 1 41 41 ILE CA C 13 60.467 0.30 . 1 . . . A 72 ILE CA . 17835 1 537 . 1 1 41 41 ILE CB C 13 38.133 0.30 . 1 . . . A 72 ILE CB . 17835 1 538 . 1 1 41 41 ILE CG1 C 13 27.054 0.30 . 1 . . . A 72 ILE CG1 . 17835 1 539 . 1 1 41 41 ILE CG2 C 13 16.604 0.30 . 1 . . . A 72 ILE CG2 . 17835 1 540 . 1 1 41 41 ILE CD1 C 13 14.873 0.30 . 1 . . . A 72 ILE CD1 . 17835 1 541 . 1 1 41 41 ILE N N 15 123.723 0.30 . 1 . . . A 72 ILE N . 17835 1 542 . 1 1 42 42 PRO HA H 1 4.600 0.03 . 1 . . . A 73 PRO HA . 17835 1 543 . 1 1 42 42 PRO HB2 H 1 2.239 0.03 . 2 . . . A 73 PRO HB2 . 17835 1 544 . 1 1 42 42 PRO HB3 H 1 1.760 0.03 . 2 . . . A 73 PRO HB3 . 17835 1 545 . 1 1 42 42 PRO HG2 H 1 2.072 0.03 . 2 . . . A 73 PRO HG2 . 17835 1 546 . 1 1 42 42 PRO HG3 H 1 1.636 0.03 . 2 . . . A 73 PRO HG3 . 17835 1 547 . 1 1 42 42 PRO HD2 H 1 4.231 0.03 . 2 . . . A 73 PRO HD2 . 17835 1 548 . 1 1 42 42 PRO HD3 H 1 3.200 0.03 . 2 . . . A 73 PRO HD3 . 17835 1 549 . 1 1 42 42 PRO C C 13 174.997 0.30 . 1 . . . A 73 PRO C . 17835 1 550 . 1 1 42 42 PRO CA C 13 62.511 0.30 . 1 . . . A 73 PRO CA . 17835 1 551 . 1 1 42 42 PRO CB C 13 27.857 0.30 . 1 . . . A 73 PRO CB . 17835 1 552 . 1 1 42 42 PRO CG C 13 26.815 0.30 . 1 . . . A 73 PRO CG . 17835 1 553 . 1 1 42 42 PRO CD C 13 50.619 0.30 . 1 . . . A 73 PRO CD . 17835 1 554 . 1 1 43 43 PHE H H 1 7.647 0.03 . 1 . . . A 74 PHE H . 17835 1 555 . 1 1 43 43 PHE HA H 1 3.737 0.03 . 1 . . . A 74 PHE HA . 17835 1 556 . 1 1 43 43 PHE HB2 H 1 3.056 0.03 . 2 . . . A 74 PHE HB2 . 17835 1 557 . 1 1 43 43 PHE HB3 H 1 2.451 0.03 . 2 . . . A 74 PHE HB3 . 17835 1 558 . 1 1 43 43 PHE HD1 H 1 7.223 0.03 . 3 . . . A 74 PHE HD1 . 17835 1 559 . 1 1 43 43 PHE HD2 H 1 7.223 0.03 . 3 . . . A 74 PHE HD2 . 17835 1 560 . 1 1 43 43 PHE HE1 H 1 7.349 0.03 . 3 . . . A 74 PHE HE1 . 17835 1 561 . 1 1 43 43 PHE HE2 H 1 7.349 0.03 . 3 . . . A 74 PHE HE2 . 17835 1 562 . 1 1 43 43 PHE C C 13 175.891 0.30 . 1 . . . A 74 PHE C . 17835 1 563 . 1 1 43 43 PHE CA C 13 60.911 0.30 . 1 . . . A 74 PHE CA . 17835 1 564 . 1 1 43 43 PHE CB C 13 38.412 0.30 . 1 . . . A 74 PHE CB . 17835 1 565 . 1 1 43 43 PHE CD1 C 13 131.316 0.30 . 3 . . . A 74 PHE CD1 . 17835 1 566 . 1 1 43 43 PHE CD2 C 13 131.316 0.30 . 3 . . . A 74 PHE CD2 . 17835 1 567 . 1 1 43 43 PHE CE1 C 13 131.164 0.30 . 3 . . . A 74 PHE CE1 . 17835 1 568 . 1 1 43 43 PHE CE2 C 13 131.164 0.30 . 3 . . . A 74 PHE CE2 . 17835 1 569 . 1 1 43 43 PHE N N 15 118.808 0.30 . 1 . . . A 74 PHE N . 17835 1 570 . 1 1 44 44 LYS H H 1 7.387 0.03 . 1 . . . A 75 LYS H . 17835 1 571 . 1 1 44 44 LYS HA H 1 4.763 0.03 . 1 . . . A 75 LYS HA . 17835 1 572 . 1 1 44 44 LYS HB2 H 1 1.423 0.03 . 2 . . . A 75 LYS HB2 . 17835 1 573 . 1 1 44 44 LYS HB3 H 1 1.327 0.03 . 2 . . . A 75 LYS HB3 . 17835 1 574 . 1 1 44 44 LYS HG2 H 1 1.205 0.03 . 2 . . . A 75 LYS HG2 . 17835 1 575 . 1 1 44 44 LYS HG3 H 1 1.205 0.03 . 2 . . . A 75 LYS HG3 . 17835 1 576 . 1 1 44 44 LYS HD2 H 1 1.591 0.03 . 2 . . . A 75 LYS HD2 . 17835 1 577 . 1 1 44 44 LYS HD3 H 1 1.591 0.03 . 2 . . . A 75 LYS HD3 . 17835 1 578 . 1 1 44 44 LYS HE2 H 1 2.931 0.03 . 2 . . . A 75 LYS HE2 . 17835 1 579 . 1 1 44 44 LYS HE3 H 1 2.931 0.03 . 2 . . . A 75 LYS HE3 . 17835 1 580 . 1 1 44 44 LYS C C 13 181.828 0.30 . 1 . . . A 75 LYS C . 17835 1 581 . 1 1 44 44 LYS CA C 13 58.959 0.30 . 1 . . . A 75 LYS CA . 17835 1 582 . 1 1 44 44 LYS CB C 13 31.599 0.30 . 1 . . . A 75 LYS CB . 17835 1 583 . 1 1 44 44 LYS CG C 13 25.141 0.30 . 1 . . . A 75 LYS CG . 17835 1 584 . 1 1 44 44 LYS CD C 13 28.954 0.30 . 1 . . . A 75 LYS CD . 17835 1 585 . 1 1 44 44 LYS CE C 13 42.046 0.30 . 1 . . . A 75 LYS CE . 17835 1 586 . 1 1 44 44 LYS N N 15 123.543 0.30 . 1 . . . A 75 LYS N . 17835 1 587 . 1 1 45 45 GLN H H 1 8.567 0.03 . 1 . . . A 76 GLN H . 17835 1 588 . 1 1 45 45 GLN HA H 1 3.896 0.03 . 1 . . . A 76 GLN HA . 17835 1 589 . 1 1 45 45 GLN HB2 H 1 2.040 0.03 . 2 . . . A 76 GLN HB2 . 17835 1 590 . 1 1 45 45 GLN HB3 H 1 2.040 0.03 . 2 . . . A 76 GLN HB3 . 17835 1 591 . 1 1 45 45 GLN HG2 H 1 2.488 0.03 . 2 . . . A 76 GLN HG2 . 17835 1 592 . 1 1 45 45 GLN HG3 H 1 2.334 0.03 . 2 . . . A 76 GLN HG3 . 17835 1 593 . 1 1 45 45 GLN HE21 H 1 6.933 0.03 . 2 . . . A 76 GLN HE21 . 17835 1 594 . 1 1 45 45 GLN HE22 H 1 7.563 0.03 . 2 . . . A 76 GLN HE22 . 17835 1 595 . 1 1 45 45 GLN C C 13 178.167 0.30 . 1 . . . A 76 GLN C . 17835 1 596 . 1 1 45 45 GLN CA C 13 59.066 0.30 . 1 . . . A 76 GLN CA . 17835 1 597 . 1 1 45 45 GLN CB C 13 27.702 0.30 . 1 . . . A 76 GLN CB . 17835 1 598 . 1 1 45 45 GLN CG C 13 34.172 0.30 . 1 . . . A 76 GLN CG . 17835 1 599 . 1 1 45 45 GLN N N 15 123.171 0.30 . 1 . . . A 76 GLN N . 17835 1 600 . 1 1 45 45 GLN NE2 N 15 112.456 0.30 . 1 . . . A 76 GLN NE2 . 17835 1 601 . 1 1 46 46 LEU H H 1 7.544 0.03 . 1 . . . A 77 LEU H . 17835 1 602 . 1 1 46 46 LEU HA H 1 4.255 0.03 . 1 . . . A 77 LEU HA . 17835 1 603 . 1 1 46 46 LEU HB2 H 1 1.834 0.03 . 2 . . . A 77 LEU HB2 . 17835 1 604 . 1 1 46 46 LEU HB3 H 1 1.834 0.03 . 2 . . . A 77 LEU HB3 . 17835 1 605 . 1 1 46 46 LEU HG H 1 1.661 0.03 . 1 . . . A 77 LEU HG . 17835 1 606 . 1 1 46 46 LEU HD11 H 1 0.299 0.03 . 2 . . . A 77 LEU HD11 . 17835 1 607 . 1 1 46 46 LEU HD12 H 1 0.299 0.03 . 2 . . . A 77 LEU HD12 . 17835 1 608 . 1 1 46 46 LEU HD13 H 1 0.299 0.03 . 2 . . . A 77 LEU HD13 . 17835 1 609 . 1 1 46 46 LEU HD21 H 1 0.780 0.03 . 2 . . . A 77 LEU HD21 . 17835 1 610 . 1 1 46 46 LEU HD22 H 1 0.780 0.03 . 2 . . . A 77 LEU HD22 . 17835 1 611 . 1 1 46 46 LEU HD23 H 1 0.780 0.03 . 2 . . . A 77 LEU HD23 . 17835 1 612 . 1 1 46 46 LEU C C 13 176.103 0.30 . 1 . . . A 77 LEU C . 17835 1 613 . 1 1 46 46 LEU CA C 13 55.308 0.30 . 1 . . . A 77 LEU CA . 17835 1 614 . 1 1 46 46 LEU CB C 13 41.374 0.30 . 1 . . . A 77 LEU CB . 17835 1 615 . 1 1 46 46 LEU CG C 13 26.159 0.30 . 1 . . . A 77 LEU CG . 17835 1 616 . 1 1 46 46 LEU CD1 C 13 25.332 0.30 . 1 . . . A 77 LEU CD1 . 17835 1 617 . 1 1 46 46 LEU CD2 C 13 22.244 0.30 . 1 . . . A 77 LEU CD2 . 17835 1 618 . 1 1 46 46 LEU N N 15 116.472 0.30 . 1 . . . A 77 LEU N . 17835 1 619 . 1 1 47 47 GLY H H 1 7.741 0.03 . 1 . . . A 78 GLY H . 17835 1 620 . 1 1 47 47 GLY HA2 H 1 4.054 0.03 . 2 . . . A 78 GLY HA2 . 17835 1 621 . 1 1 47 47 GLY HA3 H 1 3.528 0.03 . 2 . . . A 78 GLY HA3 . 17835 1 622 . 1 1 47 47 GLY C C 13 173.844 0.30 . 1 . . . A 78 GLY C . 17835 1 623 . 1 1 47 47 GLY CA C 13 44.826 0.30 . 1 . . . A 78 GLY CA . 17835 1 624 . 1 1 47 47 GLY N N 15 104.932 0.30 . 1 . . . A 78 GLY N . 17835 1 625 . 1 1 48 48 TYR H H 1 8.332 0.03 . 1 . . . A 79 TYR H . 17835 1 626 . 1 1 48 48 TYR HA H 1 4.839 0.03 . 1 . . . A 79 TYR HA . 17835 1 627 . 1 1 48 48 TYR HB2 H 1 3.088 0.03 . 2 . . . A 79 TYR HB2 . 17835 1 628 . 1 1 48 48 TYR HB3 H 1 2.758 0.03 . 2 . . . A 79 TYR HB3 . 17835 1 629 . 1 1 48 48 TYR HD1 H 1 7.021 0.03 . 3 . . . A 79 TYR HD1 . 17835 1 630 . 1 1 48 48 TYR HD2 H 1 7.021 0.03 . 3 . . . A 79 TYR HD2 . 17835 1 631 . 1 1 48 48 TYR HE1 H 1 6.854 0.03 . 3 . . . A 79 TYR HE1 . 17835 1 632 . 1 1 48 48 TYR HE2 H 1 6.854 0.03 . 3 . . . A 79 TYR HE2 . 17835 1 633 . 1 1 48 48 TYR C C 13 174.575 0.30 . 1 . . . A 79 TYR C . 17835 1 634 . 1 1 48 48 TYR CA C 13 56.349 0.30 . 1 . . . A 79 TYR CA . 17835 1 635 . 1 1 48 48 TYR CB C 13 41.464 0.30 . 1 . . . A 79 TYR CB . 17835 1 636 . 1 1 48 48 TYR CD1 C 13 132.905 0.30 . 3 . . . A 79 TYR CD1 . 17835 1 637 . 1 1 48 48 TYR CD2 C 13 132.905 0.30 . 3 . . . A 79 TYR CD2 . 17835 1 638 . 1 1 48 48 TYR CE1 C 13 118.759 0.30 . 3 . . . A 79 TYR CE1 . 17835 1 639 . 1 1 48 48 TYR CE2 C 13 118.759 0.30 . 3 . . . A 79 TYR CE2 . 17835 1 640 . 1 1 48 48 TYR N N 15 119.946 0.30 . 1 . . . A 79 TYR N . 17835 1 641 . 1 1 49 49 PRO HA H 1 4.556 0.03 . 1 . . . A 80 PRO HA . 17835 1 642 . 1 1 49 49 PRO HB2 H 1 2.335 0.03 . 2 . . . A 80 PRO HB2 . 17835 1 643 . 1 1 49 49 PRO HB3 H 1 2.092 0.03 . 2 . . . A 80 PRO HB3 . 17835 1 644 . 1 1 49 49 PRO HG2 H 1 2.236 0.03 . 2 . . . A 80 PRO HG2 . 17835 1 645 . 1 1 49 49 PRO HG3 H 1 2.073 0.03 . 2 . . . A 80 PRO HG3 . 17835 1 646 . 1 1 49 49 PRO HD2 H 1 3.865 0.03 . 2 . . . A 80 PRO HD2 . 17835 1 647 . 1 1 49 49 PRO HD3 H 1 3.865 0.03 . 2 . . . A 80 PRO HD3 . 17835 1 648 . 1 1 49 49 PRO C C 13 177.125 0.30 . 1 . . . A 80 PRO C . 17835 1 649 . 1 1 49 49 PRO CA C 13 64.115 0.30 . 1 . . . A 80 PRO CA . 17835 1 650 . 1 1 49 49 PRO CB C 13 32.152 0.30 . 1 . . . A 80 PRO CB . 17835 1 651 . 1 1 49 49 PRO CG C 13 27.206 0.30 . 1 . . . A 80 PRO CG . 17835 1 652 . 1 1 49 49 PRO CD C 13 50.818 0.30 . 1 . . . A 80 PRO CD . 17835 1 653 . 1 1 50 50 THR H H 1 6.939 0.03 . 1 . . . A 81 THR H . 17835 1 654 . 1 1 50 50 THR HA H 1 4.129 0.03 . 1 . . . A 81 THR HA . 17835 1 655 . 1 1 50 50 THR HB H 1 4.315 0.03 . 1 . . . A 81 THR HB . 17835 1 656 . 1 1 50 50 THR HG21 H 1 1.109 0.03 . 1 . . . A 81 THR HG21 . 17835 1 657 . 1 1 50 50 THR HG22 H 1 1.109 0.03 . 1 . . . A 81 THR HG22 . 17835 1 658 . 1 1 50 50 THR HG23 H 1 1.109 0.03 . 1 . . . A 81 THR HG23 . 17835 1 659 . 1 1 50 50 THR C C 13 173.270 0.30 . 1 . . . A 81 THR C . 17835 1 660 . 1 1 50 50 THR CA C 13 58.738 0.30 . 1 . . . A 81 THR CA . 17835 1 661 . 1 1 50 50 THR CB C 13 73.254 0.30 . 1 . . . A 81 THR CB . 17835 1 662 . 1 1 50 50 THR CG2 C 13 21.861 0.30 . 1 . . . A 81 THR CG2 . 17835 1 663 . 1 1 50 50 THR N N 15 105.643 0.30 . 1 . . . A 81 THR N . 17835 1 664 . 1 1 51 51 LEU H H 1 7.849 0.03 . 1 . . . A 82 LEU H . 17835 1 665 . 1 1 51 51 LEU HA H 1 3.325 0.03 . 1 . . . A 82 LEU HA . 17835 1 666 . 1 1 51 51 LEU HB2 H 1 1.437 0.03 . 2 . . . A 82 LEU HB2 . 17835 1 667 . 1 1 51 51 LEU HB3 H 1 0.956 0.03 . 2 . . . A 82 LEU HB3 . 17835 1 668 . 1 1 51 51 LEU HG H 1 0.939 0.03 . 1 . . . A 82 LEU HG . 17835 1 669 . 1 1 51 51 LEU HD11 H 1 0.945 0.03 . 2 . . . A 82 LEU HD11 . 17835 1 670 . 1 1 51 51 LEU HD12 H 1 0.945 0.03 . 2 . . . A 82 LEU HD12 . 17835 1 671 . 1 1 51 51 LEU HD13 H 1 0.945 0.03 . 2 . . . A 82 LEU HD13 . 17835 1 672 . 1 1 51 51 LEU HD21 H 1 0.945 0.03 . 2 . . . A 82 LEU HD21 . 17835 1 673 . 1 1 51 51 LEU HD22 H 1 0.945 0.03 . 2 . . . A 82 LEU HD22 . 17835 1 674 . 1 1 51 51 LEU HD23 H 1 0.945 0.03 . 2 . . . A 82 LEU HD23 . 17835 1 675 . 1 1 51 51 LEU C C 13 178.195 0.30 . 1 . . . A 82 LEU C . 17835 1 676 . 1 1 51 51 LEU CA C 13 57.551 0.30 . 1 . . . A 82 LEU CA . 17835 1 677 . 1 1 51 51 LEU CB C 13 40.517 0.30 . 1 . . . A 82 LEU CB . 17835 1 678 . 1 1 51 51 LEU CG C 13 26.895 0.30 . 1 . . . A 82 LEU CG . 17835 1 679 . 1 1 51 51 LEU CD1 C 13 24.016 0.30 . 1 . . . A 82 LEU CD1 . 17835 1 680 . 1 1 51 51 LEU CD2 C 13 24.016 0.30 . 1 . . . A 82 LEU CD2 . 17835 1 681 . 1 1 51 51 LEU N N 15 121.743 0.30 . 1 . . . A 82 LEU N . 17835 1 682 . 1 1 52 52 GLU H H 1 8.981 0.03 . 1 . . . A 83 GLU H . 17835 1 683 . 1 1 52 52 GLU HA H 1 3.411 0.03 . 1 . . . A 83 GLU HA . 17835 1 684 . 1 1 52 52 GLU HB2 H 1 1.893 0.03 . 2 . . . A 83 GLU HB2 . 17835 1 685 . 1 1 52 52 GLU HB3 H 1 1.738 0.03 . 2 . . . A 83 GLU HB3 . 17835 1 686 . 1 1 52 52 GLU HG2 H 1 2.149 0.03 . 2 . . . A 83 GLU HG2 . 17835 1 687 . 1 1 52 52 GLU HG3 H 1 1.965 0.03 . 2 . . . A 83 GLU HG3 . 17835 1 688 . 1 1 52 52 GLU C C 13 176.853 0.30 . 1 . . . A 83 GLU C . 17835 1 689 . 1 1 52 52 GLU CA C 13 60.720 0.30 . 1 . . . A 83 GLU CA . 17835 1 690 . 1 1 52 52 GLU CB C 13 28.696 0.30 . 1 . . . A 83 GLU CB . 17835 1 691 . 1 1 52 52 GLU CG C 13 35.906 0.30 . 1 . . . A 83 GLU CG . 17835 1 692 . 1 1 52 52 GLU N N 15 118.706 0.30 . 1 . . . A 83 GLU N . 17835 1 693 . 1 1 53 53 ALA H H 1 8.001 0.03 . 1 . . . A 84 ALA H . 17835 1 694 . 1 1 53 53 ALA HA H 1 3.885 0.03 . 1 . . . A 84 ALA HA . 17835 1 695 . 1 1 53 53 ALA HB1 H 1 1.580 0.03 . 1 . . . A 84 ALA HB1 . 17835 1 696 . 1 1 53 53 ALA HB2 H 1 1.580 0.03 . 1 . . . A 84 ALA HB2 . 17835 1 697 . 1 1 53 53 ALA HB3 H 1 1.580 0.03 . 1 . . . A 84 ALA HB3 . 17835 1 698 . 1 1 53 53 ALA C C 13 180.232 0.30 . 1 . . . A 84 ALA C . 17835 1 699 . 1 1 53 53 ALA CA C 13 55.127 0.30 . 1 . . . A 84 ALA CA . 17835 1 700 . 1 1 53 53 ALA CB C 13 18.345 0.30 . 1 . . . A 84 ALA CB . 17835 1 701 . 1 1 53 53 ALA N N 15 119.673 0.30 . 1 . . . A 84 ALA N . 17835 1 702 . 1 1 54 54 TYR H H 1 7.218 0.03 . 1 . . . A 85 TYR H . 17835 1 703 . 1 1 54 54 TYR HA H 1 2.898 0.03 . 1 . . . A 85 TYR HA . 17835 1 704 . 1 1 54 54 TYR HB2 H 1 2.898 0.03 . 2 . . . A 85 TYR HB2 . 17835 1 705 . 1 1 54 54 TYR HB3 H 1 2.898 0.03 . 2 . . . A 85 TYR HB3 . 17835 1 706 . 1 1 54 54 TYR HD1 H 1 6.535 0.03 . 3 . . . A 85 TYR HD1 . 17835 1 707 . 1 1 54 54 TYR HD2 H 1 6.535 0.03 . 3 . . . A 85 TYR HD2 . 17835 1 708 . 1 1 54 54 TYR HE1 H 1 6.381 0.03 . 3 . . . A 85 TYR HE1 . 17835 1 709 . 1 1 54 54 TYR HE2 H 1 6.381 0.03 . 3 . . . A 85 TYR HE2 . 17835 1 710 . 1 1 54 54 TYR C C 13 178.563 0.30 . 1 . . . A 85 TYR C . 17835 1 711 . 1 1 54 54 TYR CA C 13 59.876 0.30 . 1 . . . A 85 TYR CA . 17835 1 712 . 1 1 54 54 TYR CB C 13 37.365 0.30 . 1 . . . A 85 TYR CB . 17835 1 713 . 1 1 54 54 TYR CD1 C 13 131.770 0.30 . 3 . . . A 85 TYR CD1 . 17835 1 714 . 1 1 54 54 TYR CD2 C 13 131.770 0.30 . 3 . . . A 85 TYR CD2 . 17835 1 715 . 1 1 54 54 TYR CE1 C 13 117.836 0.30 . 3 . . . A 85 TYR CE1 . 17835 1 716 . 1 1 54 54 TYR CE2 C 13 117.836 0.30 . 3 . . . A 85 TYR CE2 . 17835 1 717 . 1 1 54 54 TYR N N 15 117.474 0.30 . 1 . . . A 85 TYR N . 17835 1 718 . 1 1 55 55 LEU H H 1 8.440 0.03 . 1 . . . A 86 LEU H . 17835 1 719 . 1 1 55 55 LEU HA H 1 3.221 0.03 . 1 . . . A 86 LEU HA . 17835 1 720 . 1 1 55 55 LEU HB2 H 1 1.691 0.03 . 2 . . . A 86 LEU HB2 . 17835 1 721 . 1 1 55 55 LEU HB3 H 1 0.997 0.03 . 2 . . . A 86 LEU HB3 . 17835 1 722 . 1 1 55 55 LEU HG H 1 1.787 0.03 . 1 . . . A 86 LEU HG . 17835 1 723 . 1 1 55 55 LEU HD11 H 1 0.626 0.03 . 2 . . . A 86 LEU HD11 . 17835 1 724 . 1 1 55 55 LEU HD12 H 1 0.626 0.03 . 2 . . . A 86 LEU HD12 . 17835 1 725 . 1 1 55 55 LEU HD13 H 1 0.626 0.03 . 2 . . . A 86 LEU HD13 . 17835 1 726 . 1 1 55 55 LEU HD21 H 1 0.602 0.03 . 2 . . . A 86 LEU HD21 . 17835 1 727 . 1 1 55 55 LEU HD22 H 1 0.602 0.03 . 2 . . . A 86 LEU HD22 . 17835 1 728 . 1 1 55 55 LEU HD23 H 1 0.602 0.03 . 2 . . . A 86 LEU HD23 . 17835 1 729 . 1 1 55 55 LEU C C 13 179.706 0.30 . 1 . . . A 86 LEU C . 17835 1 730 . 1 1 55 55 LEU CA C 13 57.334 0.30 . 1 . . . A 86 LEU CA . 17835 1 731 . 1 1 55 55 LEU CB C 13 40.788 0.30 . 1 . . . A 86 LEU CB . 17835 1 732 . 1 1 55 55 LEU CG C 13 25.944 0.30 . 1 . . . A 86 LEU CG . 17835 1 733 . 1 1 55 55 LEU CD1 C 13 27.772 0.30 . 1 . . . A 86 LEU CD1 . 17835 1 734 . 1 1 55 55 LEU CD2 C 13 22.648 0.30 . 1 . . . A 86 LEU CD2 . 17835 1 735 . 1 1 55 55 LEU N N 15 121.106 0.30 . 1 . . . A 86 LEU N . 17835 1 736 . 1 1 56 56 ARG H H 1 7.998 0.03 . 1 . . . A 87 ARG H . 17835 1 737 . 1 1 56 56 ARG HA H 1 3.722 0.03 . 1 . . . A 87 ARG HA . 17835 1 738 . 1 1 56 56 ARG HB2 H 1 1.640 0.03 . 2 . . . A 87 ARG HB2 . 17835 1 739 . 1 1 56 56 ARG HB3 H 1 1.640 0.03 . 2 . . . A 87 ARG HB3 . 17835 1 740 . 1 1 56 56 ARG HG2 H 1 1.756 0.03 . 2 . . . A 87 ARG HG2 . 17835 1 741 . 1 1 56 56 ARG HG3 H 1 1.756 0.03 . 2 . . . A 87 ARG HG3 . 17835 1 742 . 1 1 56 56 ARG HD2 H 1 3.125 0.03 . 2 . . . A 87 ARG HD2 . 17835 1 743 . 1 1 56 56 ARG HD3 H 1 3.004 0.03 . 2 . . . A 87 ARG HD3 . 17835 1 744 . 1 1 56 56 ARG HE H 1 7.686 0.03 . 1 . . . A 87 ARG HE . 17835 1 745 . 1 1 56 56 ARG C C 13 176.071 0.30 . 1 . . . A 87 ARG C . 17835 1 746 . 1 1 56 56 ARG CA C 13 58.463 0.30 . 1 . . . A 87 ARG CA . 17835 1 747 . 1 1 56 56 ARG CB C 13 29.735 0.30 . 1 . . . A 87 ARG CB . 17835 1 748 . 1 1 56 56 ARG CG C 13 29.684 0.30 . 1 . . . A 87 ARG CG . 17835 1 749 . 1 1 56 56 ARG CD C 13 43.083 0.30 . 1 . . . A 87 ARG CD . 17835 1 750 . 1 1 56 56 ARG N N 15 116.303 0.30 . 1 . . . A 87 ARG N . 17835 1 751 . 1 1 56 56 ARG NE N 15 84.918 0.30 . 1 . . . A 87 ARG NE . 17835 1 752 . 1 1 57 57 SER H H 1 7.491 0.03 . 1 . . . A 88 SER H . 17835 1 753 . 1 1 57 57 SER HA H 1 4.357 0.03 . 1 . . . A 88 SER HA . 17835 1 754 . 1 1 57 57 SER HB2 H 1 4.094 0.03 . 2 . . . A 88 SER HB2 . 17835 1 755 . 1 1 57 57 SER HB3 H 1 3.615 0.03 . 2 . . . A 88 SER HB3 . 17835 1 756 . 1 1 57 57 SER C C 13 173.970 0.30 . 1 . . . A 88 SER C . 17835 1 757 . 1 1 57 57 SER CA C 13 59.762 0.30 . 1 . . . A 88 SER CA . 17835 1 758 . 1 1 57 57 SER CB C 13 63.886 0.30 . 1 . . . A 88 SER CB . 17835 1 759 . 1 1 57 57 SER N N 15 115.365 0.30 . 1 . . . A 88 SER N . 17835 1 760 . 1 1 58 58 VAL H H 1 6.729 0.03 . 1 . . . A 89 VAL H . 17835 1 761 . 1 1 58 58 VAL HA H 1 5.090 0.03 . 1 . . . A 89 VAL HA . 17835 1 762 . 1 1 58 58 VAL HB H 1 2.098 0.03 . 1 . . . A 89 VAL HB . 17835 1 763 . 1 1 58 58 VAL HG11 H 1 0.531 0.03 . 2 . . . A 89 VAL HG11 . 17835 1 764 . 1 1 58 58 VAL HG12 H 1 0.531 0.03 . 2 . . . A 89 VAL HG12 . 17835 1 765 . 1 1 58 58 VAL HG13 H 1 0.531 0.03 . 2 . . . A 89 VAL HG13 . 17835 1 766 . 1 1 58 58 VAL HG21 H 1 0.716 0.03 . 2 . . . A 89 VAL HG21 . 17835 1 767 . 1 1 58 58 VAL HG22 H 1 0.716 0.03 . 2 . . . A 89 VAL HG22 . 17835 1 768 . 1 1 58 58 VAL HG23 H 1 0.716 0.03 . 2 . . . A 89 VAL HG23 . 17835 1 769 . 1 1 58 58 VAL C C 13 174.276 0.30 . 1 . . . A 89 VAL C . 17835 1 770 . 1 1 58 58 VAL CA C 13 58.444 0.30 . 1 . . . A 89 VAL CA . 17835 1 771 . 1 1 58 58 VAL CB C 13 31.559 0.30 . 1 . . . A 89 VAL CB . 17835 1 772 . 1 1 58 58 VAL CG1 C 13 17.877 0.30 . 1 . . . A 89 VAL CG1 . 17835 1 773 . 1 1 58 58 VAL CG2 C 13 21.816 0.30 . 1 . . . A 89 VAL CG2 . 17835 1 774 . 1 1 58 58 VAL N N 15 113.059 0.30 . 1 . . . A 89 VAL N . 17835 1 775 . 1 1 59 59 PRO HA H 1 4.902 0.03 . 1 . . . A 90 PRO HA . 17835 1 776 . 1 1 59 59 PRO HB2 H 1 2.218 0.03 . 2 . . . A 90 PRO HB2 . 17835 1 777 . 1 1 59 59 PRO HB3 H 1 2.004 0.03 . 2 . . . A 90 PRO HB3 . 17835 1 778 . 1 1 59 59 PRO HG2 H 1 1.989 0.03 . 2 . . . A 90 PRO HG2 . 17835 1 779 . 1 1 59 59 PRO HG3 H 1 1.829 0.03 . 2 . . . A 90 PRO HG3 . 17835 1 780 . 1 1 59 59 PRO HD2 H 1 3.638 0.03 . 2 . . . A 90 PRO HD2 . 17835 1 781 . 1 1 59 59 PRO HD3 H 1 3.254 0.03 . 2 . . . A 90 PRO HD3 . 17835 1 782 . 1 1 59 59 PRO C C 13 177.563 0.30 . 1 . . . A 90 PRO C . 17835 1 783 . 1 1 59 59 PRO CA C 13 64.541 0.30 . 1 . . . A 90 PRO CA . 17835 1 784 . 1 1 59 59 PRO CB C 13 31.768 0.30 . 1 . . . A 90 PRO CB . 17835 1 785 . 1 1 59 59 PRO CG C 13 26.955 0.30 . 1 . . . A 90 PRO CG . 17835 1 786 . 1 1 59 59 PRO CD C 13 51.058 0.30 . 1 . . . A 90 PRO CD . 17835 1 787 . 1 1 60 60 ALA H H 1 8.397 0.03 . 1 . . . A 91 ALA H . 17835 1 788 . 1 1 60 60 ALA HA H 1 4.327 0.03 . 1 . . . A 91 ALA HA . 17835 1 789 . 1 1 60 60 ALA HB1 H 1 1.369 0.03 . 1 . . . A 91 ALA HB1 . 17835 1 790 . 1 1 60 60 ALA HB2 H 1 1.369 0.03 . 1 . . . A 91 ALA HB2 . 17835 1 791 . 1 1 60 60 ALA HB3 H 1 1.369 0.03 . 1 . . . A 91 ALA HB3 . 17835 1 792 . 1 1 60 60 ALA C C 13 177.191 0.30 . 1 . . . A 91 ALA C . 17835 1 793 . 1 1 60 60 ALA CA C 13 52.795 0.30 . 1 . . . A 91 ALA CA . 17835 1 794 . 1 1 60 60 ALA CB C 13 18.427 0.30 . 1 . . . A 91 ALA CB . 17835 1 795 . 1 1 60 60 ALA N N 15 120.004 0.30 . 1 . . . A 91 ALA N . 17835 1 796 . 1 1 61 61 VAL H H 1 8.080 0.03 . 1 . . . A 92 VAL H . 17835 1 797 . 1 1 61 61 VAL HA H 1 4.032 0.03 . 1 . . . A 92 VAL HA . 17835 1 798 . 1 1 61 61 VAL HB H 1 2.092 0.03 . 1 . . . A 92 VAL HB . 17835 1 799 . 1 1 61 61 VAL HG11 H 1 0.931 0.03 . 2 . . . A 92 VAL HG11 . 17835 1 800 . 1 1 61 61 VAL HG12 H 1 0.931 0.03 . 2 . . . A 92 VAL HG12 . 17835 1 801 . 1 1 61 61 VAL HG13 H 1 0.931 0.03 . 2 . . . A 92 VAL HG13 . 17835 1 802 . 1 1 61 61 VAL HG21 H 1 0.931 0.03 . 2 . . . A 92 VAL HG21 . 17835 1 803 . 1 1 61 61 VAL HG22 H 1 0.931 0.03 . 2 . . . A 92 VAL HG22 . 17835 1 804 . 1 1 61 61 VAL HG23 H 1 0.931 0.03 . 2 . . . A 92 VAL HG23 . 17835 1 805 . 1 1 61 61 VAL C C 13 174.238 0.30 . 1 . . . A 92 VAL C . 17835 1 806 . 1 1 61 61 VAL CA C 13 63.741 0.30 . 1 . . . A 92 VAL CA . 17835 1 807 . 1 1 61 61 VAL CB C 13 34.115 0.30 . 1 . . . A 92 VAL CB . 17835 1 808 . 1 1 61 61 VAL CG1 C 13 21.642 0.30 . 1 . . . A 92 VAL CG1 . 17835 1 809 . 1 1 61 61 VAL CG2 C 13 21.642 0.30 . 1 . . . A 92 VAL CG2 . 17835 1 810 . 1 1 61 61 VAL N N 15 116.635 0.30 . 1 . . . A 92 VAL N . 17835 1 811 . 1 1 62 62 VAL H H 1 7.791 0.03 . 1 . . . A 93 VAL H . 17835 1 812 . 1 1 62 62 VAL HA H 1 4.911 0.03 . 1 . . . A 93 VAL HA . 17835 1 813 . 1 1 62 62 VAL HB H 1 1.670 0.03 . 1 . . . A 93 VAL HB . 17835 1 814 . 1 1 62 62 VAL HG11 H 1 0.768 0.03 . 2 . . . A 93 VAL HG11 . 17835 1 815 . 1 1 62 62 VAL HG12 H 1 0.768 0.03 . 2 . . . A 93 VAL HG12 . 17835 1 816 . 1 1 62 62 VAL HG13 H 1 0.768 0.03 . 2 . . . A 93 VAL HG13 . 17835 1 817 . 1 1 62 62 VAL HG21 H 1 0.811 0.03 . 2 . . . A 93 VAL HG21 . 17835 1 818 . 1 1 62 62 VAL HG22 H 1 0.811 0.03 . 2 . . . A 93 VAL HG22 . 17835 1 819 . 1 1 62 62 VAL HG23 H 1 0.811 0.03 . 2 . . . A 93 VAL HG23 . 17835 1 820 . 1 1 62 62 VAL C C 13 172.258 0.30 . 1 . . . A 93 VAL C . 17835 1 821 . 1 1 62 62 VAL CA C 13 59.006 0.30 . 1 . . . A 93 VAL CA . 17835 1 822 . 1 1 62 62 VAL CB C 13 35.461 0.30 . 1 . . . A 93 VAL CB . 17835 1 823 . 1 1 62 62 VAL CG1 C 13 21.422 0.30 . 1 . . . A 93 VAL CG1 . 17835 1 824 . 1 1 62 62 VAL CG2 C 13 22.894 0.30 . 1 . . . A 93 VAL CG2 . 17835 1 825 . 1 1 62 62 VAL N N 15 117.153 0.30 . 1 . . . A 93 VAL N . 17835 1 826 . 1 1 63 63 ARG H H 1 9.208 0.03 . 1 . . . A 94 ARG H . 17835 1 827 . 1 1 63 63 ARG HA H 1 4.727 0.03 . 1 . . . A 94 ARG HA . 17835 1 828 . 1 1 63 63 ARG HB2 H 1 1.650 0.03 . 2 . . . A 94 ARG HB2 . 17835 1 829 . 1 1 63 63 ARG HB3 H 1 1.650 0.03 . 2 . . . A 94 ARG HB3 . 17835 1 830 . 1 1 63 63 ARG HG2 H 1 1.528 0.03 . 2 . . . A 94 ARG HG2 . 17835 1 831 . 1 1 63 63 ARG HG3 H 1 1.291 0.03 . 2 . . . A 94 ARG HG3 . 17835 1 832 . 1 1 63 63 ARG HD2 H 1 3.234 0.03 . 2 . . . A 94 ARG HD2 . 17835 1 833 . 1 1 63 63 ARG HD3 H 1 3.041 0.03 . 2 . . . A 94 ARG HD3 . 17835 1 834 . 1 1 63 63 ARG HE H 1 7.314 0.03 . 1 . . . A 94 ARG HE . 17835 1 835 . 1 1 63 63 ARG C C 13 174.437 0.30 . 1 . . . A 94 ARG C . 17835 1 836 . 1 1 63 63 ARG CA C 13 54.117 0.30 . 1 . . . A 94 ARG CA . 17835 1 837 . 1 1 63 63 ARG CB C 13 32.754 0.30 . 1 . . . A 94 ARG CB . 17835 1 838 . 1 1 63 63 ARG CG C 13 27.959 0.30 . 1 . . . A 94 ARG CG . 17835 1 839 . 1 1 63 63 ARG CD C 13 43.083 0.30 . 1 . . . A 94 ARG CD . 17835 1 840 . 1 1 63 63 ARG N N 15 129.658 0.30 . 1 . . . A 94 ARG N . 17835 1 841 . 1 1 63 63 ARG NE N 15 82.673 0.30 . 1 . . . A 94 ARG NE . 17835 1 842 . 1 1 64 64 ILE H H 1 8.736 0.03 . 1 . . . A 95 ILE H . 17835 1 843 . 1 1 64 64 ILE HA H 1 4.917 0.03 . 1 . . . A 95 ILE HA . 17835 1 844 . 1 1 64 64 ILE HB H 1 1.626 0.03 . 1 . . . A 95 ILE HB . 17835 1 845 . 1 1 64 64 ILE HG12 H 1 1.365 0.03 . 1 . . . A 95 ILE HG12 . 17835 1 846 . 1 1 64 64 ILE HG13 H 1 0.951 0.03 . 1 . . . A 95 ILE HG13 . 17835 1 847 . 1 1 64 64 ILE HG21 H 1 0.712 0.03 . 1 . . . A 95 ILE HG21 . 17835 1 848 . 1 1 64 64 ILE HG22 H 1 0.712 0.03 . 1 . . . A 95 ILE HG22 . 17835 1 849 . 1 1 64 64 ILE HG23 H 1 0.712 0.03 . 1 . . . A 95 ILE HG23 . 17835 1 850 . 1 1 64 64 ILE HD11 H 1 0.619 0.03 . 1 . . . A 95 ILE HD11 . 17835 1 851 . 1 1 64 64 ILE HD12 H 1 0.619 0.03 . 1 . . . A 95 ILE HD12 . 17835 1 852 . 1 1 64 64 ILE HD13 H 1 0.619 0.03 . 1 . . . A 95 ILE HD13 . 17835 1 853 . 1 1 64 64 ILE C C 13 175.842 0.30 . 1 . . . A 95 ILE C . 17835 1 854 . 1 1 64 64 ILE CA C 13 59.545 0.30 . 1 . . . A 95 ILE CA . 17835 1 855 . 1 1 64 64 ILE CB C 13 39.645 0.30 . 1 . . . A 95 ILE CB . 17835 1 856 . 1 1 64 64 ILE CG1 C 13 27.234 0.30 . 1 . . . A 95 ILE CG1 . 17835 1 857 . 1 1 64 64 ILE CG2 C 13 18.197 0.30 . 1 . . . A 95 ILE CG2 . 17835 1 858 . 1 1 64 64 ILE CD1 C 13 13.688 0.30 . 1 . . . A 95 ILE CD1 . 17835 1 859 . 1 1 64 64 ILE N N 15 125.775 0.30 . 1 . . . A 95 ILE N . 17835 1 860 . 1 1 65 65 GLU H H 1 9.197 0.03 . 1 . . . A 96 GLU H . 17835 1 861 . 1 1 65 65 GLU HA H 1 4.677 0.03 . 1 . . . A 96 GLU HA . 17835 1 862 . 1 1 65 65 GLU HB2 H 1 2.169 0.03 . 2 . . . A 96 GLU HB2 . 17835 1 863 . 1 1 65 65 GLU HB3 H 1 1.860 0.03 . 2 . . . A 96 GLU HB3 . 17835 1 864 . 1 1 65 65 GLU HG2 H 1 2.211 0.03 . 2 . . . A 96 GLU HG2 . 17835 1 865 . 1 1 65 65 GLU HG3 H 1 2.211 0.03 . 2 . . . A 96 GLU HG3 . 17835 1 866 . 1 1 65 65 GLU C C 13 174.409 0.30 . 1 . . . A 96 GLU C . 17835 1 867 . 1 1 65 65 GLU CA C 13 54.791 0.30 . 1 . . . A 96 GLU CA . 17835 1 868 . 1 1 65 65 GLU CB C 13 33.078 0.30 . 1 . . . A 96 GLU CB . 17835 1 869 . 1 1 65 65 GLU CG C 13 35.214 0.30 . 1 . . . A 96 GLU CG . 17835 1 870 . 1 1 65 65 GLU N N 15 127.114 0.30 . 1 . . . A 96 GLU N . 17835 1 871 . 1 1 66 66 ALA H H 1 8.779 0.03 . 1 . . . A 97 ALA H . 17835 1 872 . 1 1 66 66 ALA HA H 1 5.026 0.03 . 1 . . . A 97 ALA HA . 17835 1 873 . 1 1 66 66 ALA HB1 H 1 1.256 0.03 . 1 . . . A 97 ALA HB1 . 17835 1 874 . 1 1 66 66 ALA HB2 H 1 1.256 0.03 . 1 . . . A 97 ALA HB2 . 17835 1 875 . 1 1 66 66 ALA HB3 H 1 1.256 0.03 . 1 . . . A 97 ALA HB3 . 17835 1 876 . 1 1 66 66 ALA C C 13 177.717 0.30 . 1 . . . A 97 ALA C . 17835 1 877 . 1 1 66 66 ALA CA C 13 51.070 0.30 . 1 . . . A 97 ALA CA . 17835 1 878 . 1 1 66 66 ALA CB C 13 19.550 0.30 . 1 . . . A 97 ALA CB . 17835 1 879 . 1 1 66 66 ALA N N 15 127.913 0.30 . 1 . . . A 97 ALA N . 17835 1 880 . 1 1 67 67 SER H H 1 8.951 0.03 . 1 . . . A 98 SER H . 17835 1 881 . 1 1 67 67 SER HA H 1 4.665 0.03 . 1 . . . A 98 SER HA . 17835 1 882 . 1 1 67 67 SER HB2 H 1 4.244 0.03 . 2 . . . A 98 SER HB2 . 17835 1 883 . 1 1 67 67 SER HB3 H 1 3.949 0.03 . 2 . . . A 98 SER HB3 . 17835 1 884 . 1 1 67 67 SER C C 13 176.518 0.30 . 1 . . . A 98 SER C . 17835 1 885 . 1 1 67 67 SER CA C 13 57.096 0.30 . 1 . . . A 98 SER CA . 17835 1 886 . 1 1 67 67 SER CB C 13 65.234 0.30 . 1 . . . A 98 SER CB . 17835 1 887 . 1 1 67 67 SER N N 15 119.364 0.30 . 1 . . . A 98 SER N . 17835 1 888 . 1 1 68 68 ARG H H 1 9.075 0.03 . 1 . . . A 99 ARG H . 17835 1 889 . 1 1 68 68 ARG HA H 1 4.153 0.03 . 1 . . . A 99 ARG HA . 17835 1 890 . 1 1 68 68 ARG HB2 H 1 1.893 0.03 . 2 . . . A 99 ARG HB2 . 17835 1 891 . 1 1 68 68 ARG HB3 H 1 1.893 0.03 . 2 . . . A 99 ARG HB3 . 17835 1 892 . 1 1 68 68 ARG HG2 H 1 1.728 0.03 . 2 . . . A 99 ARG HG2 . 17835 1 893 . 1 1 68 68 ARG HG3 H 1 1.728 0.03 . 2 . . . A 99 ARG HG3 . 17835 1 894 . 1 1 68 68 ARG HD2 H 1 3.226 0.03 . 2 . . . A 99 ARG HD2 . 17835 1 895 . 1 1 68 68 ARG HD3 H 1 3.226 0.03 . 2 . . . A 99 ARG HD3 . 17835 1 896 . 1 1 68 68 ARG HE H 1 7.230 0.03 . 1 . . . A 99 ARG HE . 17835 1 897 . 1 1 68 68 ARG C C 13 177.356 0.30 . 1 . . . A 99 ARG C . 17835 1 898 . 1 1 68 68 ARG CA C 13 58.973 0.30 . 1 . . . A 99 ARG CA . 17835 1 899 . 1 1 68 68 ARG CB C 13 29.659 0.30 . 1 . . . A 99 ARG CB . 17835 1 900 . 1 1 68 68 ARG CG C 13 26.975 0.30 . 1 . . . A 99 ARG CG . 17835 1 901 . 1 1 68 68 ARG CD C 13 43.242 0.30 . 1 . . . A 99 ARG CD . 17835 1 902 . 1 1 68 68 ARG N N 15 123.143 0.30 . 1 . . . A 99 ARG N . 17835 1 903 . 1 1 68 68 ARG NE N 15 84.206 0.30 . 1 . . . A 99 ARG NE . 17835 1 904 . 1 1 69 69 SER H H 1 8.083 0.03 . 1 . . . A 100 SER H . 17835 1 905 . 1 1 69 69 SER HA H 1 4.416 0.03 . 1 . . . A 100 SER HA . 17835 1 906 . 1 1 69 69 SER HB2 H 1 4.062 0.03 . 2 . . . A 100 SER HB2 . 17835 1 907 . 1 1 69 69 SER HB3 H 1 3.811 0.03 . 2 . . . A 100 SER HB3 . 17835 1 908 . 1 1 69 69 SER C C 13 175.146 0.30 . 1 . . . A 100 SER C . 17835 1 909 . 1 1 69 69 SER CA C 13 58.413 0.30 . 1 . . . A 100 SER CA . 17835 1 910 . 1 1 69 69 SER CB C 13 63.477 0.30 . 1 . . . A 100 SER CB . 17835 1 911 . 1 1 69 69 SER N N 15 112.081 0.30 . 1 . . . A 100 SER N . 17835 1 912 . 1 1 70 70 GLY H H 1 7.974 0.03 . 1 . . . A 101 GLY H . 17835 1 913 . 1 1 70 70 GLY HA2 H 1 4.309 0.03 . 2 . . . A 101 GLY HA2 . 17835 1 914 . 1 1 70 70 GLY HA3 H 1 3.580 0.03 . 2 . . . A 101 GLY HA3 . 17835 1 915 . 1 1 70 70 GLY C C 13 174.116 0.30 . 1 . . . A 101 GLY C . 17835 1 916 . 1 1 70 70 GLY CA C 13 45.114 0.30 . 1 . . . A 101 GLY CA . 17835 1 917 . 1 1 70 70 GLY N N 15 110.519 0.30 . 1 . . . A 101 GLY N . 17835 1 918 . 1 1 71 71 GLU H H 1 7.630 0.03 . 1 . . . A 102 GLU H . 17835 1 919 . 1 1 71 71 GLU HA H 1 4.289 0.03 . 1 . . . A 102 GLU HA . 17835 1 920 . 1 1 71 71 GLU HB2 H 1 1.749 0.03 . 2 . . . A 102 GLU HB2 . 17835 1 921 . 1 1 71 71 GLU HB3 H 1 1.884 0.03 . 2 . . . A 102 GLU HB3 . 17835 1 922 . 1 1 71 71 GLU HG2 H 1 2.181 0.03 . 2 . . . A 102 GLU HG2 . 17835 1 923 . 1 1 71 71 GLU HG3 H 1 2.140 0.03 . 2 . . . A 102 GLU HG3 . 17835 1 924 . 1 1 71 71 GLU C C 13 175.352 0.30 . 1 . . . A 102 GLU C . 17835 1 925 . 1 1 71 71 GLU CA C 13 56.082 0.30 . 1 . . . A 102 GLU CA . 17835 1 926 . 1 1 71 71 GLU CB C 13 30.517 0.30 . 1 . . . A 102 GLU CB . 17835 1 927 . 1 1 71 71 GLU CG C 13 35.749 0.30 . 1 . . . A 102 GLU CG . 17835 1 928 . 1 1 71 71 GLU N N 15 120.663 0.30 . 1 . . . A 102 GLU N . 17835 1 929 . 1 1 72 72 ILE H H 1 8.753 0.03 . 1 . . . A 103 ILE H . 17835 1 930 . 1 1 72 72 ILE HA H 1 4.367 0.03 . 1 . . . A 103 ILE HA . 17835 1 931 . 1 1 72 72 ILE HB H 1 1.786 0.03 . 1 . . . A 103 ILE HB . 17835 1 932 . 1 1 72 72 ILE HG12 H 1 1.530 0.03 . 1 . . . A 103 ILE HG12 . 17835 1 933 . 1 1 72 72 ILE HG13 H 1 1.141 0.03 . 1 . . . A 103 ILE HG13 . 17835 1 934 . 1 1 72 72 ILE HG21 H 1 0.706 0.03 . 1 . . . A 103 ILE HG21 . 17835 1 935 . 1 1 72 72 ILE HG22 H 1 0.706 0.03 . 1 . . . A 103 ILE HG22 . 17835 1 936 . 1 1 72 72 ILE HG23 H 1 0.706 0.03 . 1 . . . A 103 ILE HG23 . 17835 1 937 . 1 1 72 72 ILE HD11 H 1 0.698 0.03 . 1 . . . A 103 ILE HD11 . 17835 1 938 . 1 1 72 72 ILE HD12 H 1 0.698 0.03 . 1 . . . A 103 ILE HD12 . 17835 1 939 . 1 1 72 72 ILE HD13 H 1 0.698 0.03 . 1 . . . A 103 ILE HD13 . 17835 1 940 . 1 1 72 72 ILE C C 13 174.613 0.30 . 1 . . . A 103 ILE C . 17835 1 941 . 1 1 72 72 ILE CA C 13 60.876 0.30 . 1 . . . A 103 ILE CA . 17835 1 942 . 1 1 72 72 ILE CB C 13 37.465 0.30 . 1 . . . A 103 ILE CB . 17835 1 943 . 1 1 72 72 ILE CG1 C 13 27.454 0.30 . 1 . . . A 103 ILE CG1 . 17835 1 944 . 1 1 72 72 ILE CG2 C 13 18.921 0.30 . 1 . . . A 103 ILE CG2 . 17835 1 945 . 1 1 72 72 ILE CD1 C 13 11.665 0.30 . 1 . . . A 103 ILE CD1 . 17835 1 946 . 1 1 72 72 ILE N N 15 125.775 0.30 . 1 . . . A 103 ILE N . 17835 1 947 . 1 1 73 73 VAL H H 1 8.724 0.03 . 1 . . . A 104 VAL H . 17835 1 948 . 1 1 73 73 VAL HA H 1 4.153 0.03 . 1 . . . A 104 VAL HA . 17835 1 949 . 1 1 73 73 VAL HB H 1 1.868 0.03 . 1 . . . A 104 VAL HB . 17835 1 950 . 1 1 73 73 VAL HG11 H 1 0.822 0.03 . 2 . . . A 104 VAL HG11 . 17835 1 951 . 1 1 73 73 VAL HG12 H 1 0.822 0.03 . 2 . . . A 104 VAL HG12 . 17835 1 952 . 1 1 73 73 VAL HG13 H 1 0.822 0.03 . 2 . . . A 104 VAL HG13 . 17835 1 953 . 1 1 73 73 VAL HG21 H 1 0.363 0.03 . 2 . . . A 104 VAL HG21 . 17835 1 954 . 1 1 73 73 VAL HG22 H 1 0.363 0.03 . 2 . . . A 104 VAL HG22 . 17835 1 955 . 1 1 73 73 VAL HG23 H 1 0.363 0.03 . 2 . . . A 104 VAL HG23 . 17835 1 956 . 1 1 73 73 VAL C C 13 173.544 0.30 . 1 . . . A 104 VAL C . 17835 1 957 . 1 1 73 73 VAL CA C 13 61.736 0.30 . 1 . . . A 104 VAL CA . 17835 1 958 . 1 1 73 73 VAL CB C 13 33.763 0.30 . 1 . . . A 104 VAL CB . 17835 1 959 . 1 1 73 73 VAL CG1 C 13 21.621 0.30 . 1 . . . A 104 VAL CG1 . 17835 1 960 . 1 1 73 73 VAL CG2 C 13 21.744 0.30 . 1 . . . A 104 VAL CG2 . 17835 1 961 . 1 1 73 73 VAL N N 15 128.300 0.30 . 1 . . . A 104 VAL N . 17835 1 962 . 1 1 74 74 CYS H H 1 8.200 0.03 . 1 . . . A 105 CYS H . 17835 1 963 . 1 1 74 74 CYS HA H 1 4.948 0.03 . 1 . . . A 105 CYS HA . 17835 1 964 . 1 1 74 74 CYS HB2 H 1 2.820 0.03 . 2 . . . A 105 CYS HB2 . 17835 1 965 . 1 1 74 74 CYS HB3 H 1 2.353 0.03 . 2 . . . A 105 CYS HB3 . 17835 1 966 . 1 1 74 74 CYS C C 13 173.200 0.30 . 1 . . . A 105 CYS C . 17835 1 967 . 1 1 74 74 CYS CA C 13 57.176 0.30 . 1 . . . A 105 CYS CA . 17835 1 968 . 1 1 74 74 CYS CB C 13 29.712 0.30 . 1 . . . A 105 CYS CB . 17835 1 969 . 1 1 74 74 CYS N N 15 122.823 0.30 . 1 . . . A 105 CYS N . 17835 1 970 . 1 1 75 75 TYR H H 1 9.265 0.03 . 1 . . . A 106 TYR H . 17835 1 971 . 1 1 75 75 TYR HA H 1 5.013 0.03 . 1 . . . A 106 TYR HA . 17835 1 972 . 1 1 75 75 TYR HB2 H 1 3.094 0.03 . 2 . . . A 106 TYR HB2 . 17835 1 973 . 1 1 75 75 TYR HB3 H 1 2.533 0.03 . 2 . . . A 106 TYR HB3 . 17835 1 974 . 1 1 75 75 TYR HD1 H 1 6.918 0.03 . 3 . . . A 106 TYR HD1 . 17835 1 975 . 1 1 75 75 TYR HD2 H 1 6.918 0.03 . 3 . . . A 106 TYR HD2 . 17835 1 976 . 1 1 75 75 TYR HE1 H 1 6.484 0.03 . 3 . . . A 106 TYR HE1 . 17835 1 977 . 1 1 75 75 TYR HE2 H 1 6.484 0.03 . 3 . . . A 106 TYR HE2 . 17835 1 978 . 1 1 75 75 TYR C C 13 175.779 0.30 . 1 . . . A 106 TYR C . 17835 1 979 . 1 1 75 75 TYR CA C 13 56.289 0.30 . 1 . . . A 106 TYR CA . 17835 1 980 . 1 1 75 75 TYR CB C 13 42.505 0.30 . 1 . . . A 106 TYR CB . 17835 1 981 . 1 1 75 75 TYR CD1 C 13 133.057 0.30 . 3 . . . A 106 TYR CD1 . 17835 1 982 . 1 1 75 75 TYR CD2 C 13 133.057 0.30 . 3 . . . A 106 TYR CD2 . 17835 1 983 . 1 1 75 75 TYR CE1 C 13 117.878 0.30 . 3 . . . A 106 TYR CE1 . 17835 1 984 . 1 1 75 75 TYR CE2 C 13 117.878 0.30 . 3 . . . A 106 TYR CE2 . 17835 1 985 . 1 1 75 75 TYR N N 15 119.584 0.30 . 1 . . . A 106 TYR N . 17835 1 986 . 1 1 76 76 ALA H H 1 9.145 0.03 . 1 . . . A 107 ALA H . 17835 1 987 . 1 1 76 76 ALA HA H 1 4.423 0.03 . 1 . . . A 107 ALA HA . 17835 1 988 . 1 1 76 76 ALA HB1 H 1 1.332 0.03 . 1 . . . A 107 ALA HB1 . 17835 1 989 . 1 1 76 76 ALA HB2 H 1 1.332 0.03 . 1 . . . A 107 ALA HB2 . 17835 1 990 . 1 1 76 76 ALA HB3 H 1 1.332 0.03 . 1 . . . A 107 ALA HB3 . 17835 1 991 . 1 1 76 76 ALA C C 13 177.907 0.30 . 1 . . . A 107 ALA C . 17835 1 992 . 1 1 76 76 ALA CA C 13 52.151 0.30 . 1 . . . A 107 ALA CA . 17835 1 993 . 1 1 76 76 ALA CB C 13 18.915 0.30 . 1 . . . A 107 ALA CB . 17835 1 994 . 1 1 76 76 ALA N N 15 122.844 0.30 . 1 . . . A 107 ALA N . 17835 1 995 . 1 1 77 77 VAL H H 1 7.894 0.03 . 1 . . . A 108 VAL H . 17835 1 996 . 1 1 77 77 VAL HA H 1 3.826 0.03 . 1 . . . A 108 VAL HA . 17835 1 997 . 1 1 77 77 VAL HB H 1 1.603 0.03 . 1 . . . A 108 VAL HB . 17835 1 998 . 1 1 77 77 VAL HG11 H 1 0.845 0.03 . 2 . . . A 108 VAL HG11 . 17835 1 999 . 1 1 77 77 VAL HG12 H 1 0.845 0.03 . 2 . . . A 108 VAL HG12 . 17835 1 1000 . 1 1 77 77 VAL HG13 H 1 0.845 0.03 . 2 . . . A 108 VAL HG13 . 17835 1 1001 . 1 1 77 77 VAL HG21 H 1 0.845 0.03 . 2 . . . A 108 VAL HG21 . 17835 1 1002 . 1 1 77 77 VAL HG22 H 1 0.845 0.03 . 2 . . . A 108 VAL HG22 . 17835 1 1003 . 1 1 77 77 VAL HG23 H 1 0.845 0.03 . 2 . . . A 108 VAL HG23 . 17835 1 1004 . 1 1 77 77 VAL C C 13 174.995 0.30 . 1 . . . A 108 VAL C . 17835 1 1005 . 1 1 77 77 VAL CA C 13 63.379 0.30 . 1 . . . A 108 VAL CA . 17835 1 1006 . 1 1 77 77 VAL CB C 13 32.715 0.30 . 1 . . . A 108 VAL CB . 17835 1 1007 . 1 1 77 77 VAL CG1 C 13 21.292 0.30 . 1 . . . A 108 VAL CG1 . 17835 1 1008 . 1 1 77 77 VAL CG2 C 13 21.292 0.30 . 1 . . . A 108 VAL CG2 . 17835 1 1009 . 1 1 77 77 VAL N N 15 123.434 0.30 . 1 . . . A 108 VAL N . 17835 1 1010 . 1 1 78 78 ALA H H 1 8.049 0.03 . 1 . . . A 109 ALA H . 17835 1 1011 . 1 1 78 78 ALA HA H 1 4.092 0.03 . 1 . . . A 109 ALA HA . 17835 1 1012 . 1 1 78 78 ALA HB1 H 1 1.307 0.03 . 1 . . . A 109 ALA HB1 . 17835 1 1013 . 1 1 78 78 ALA HB2 H 1 1.307 0.03 . 1 . . . A 109 ALA HB2 . 17835 1 1014 . 1 1 78 78 ALA HB3 H 1 1.307 0.03 . 1 . . . A 109 ALA HB3 . 17835 1 1015 . 1 1 78 78 ALA C C 13 182.127 0.30 . 1 . . . A 109 ALA C . 17835 1 1016 . 1 1 78 78 ALA CA C 13 53.976 0.30 . 1 . . . A 109 ALA CA . 17835 1 1017 . 1 1 78 78 ALA CB C 13 20.008 0.30 . 1 . . . A 109 ALA CB . 17835 1 1018 . 1 1 78 78 ALA N N 15 133.558 0.30 . 1 . . . A 109 ALA N . 17835 1 stop_ save_