data_18341 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18341 _Entry.Title ; Sgt2_NT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-21 _Entry.Accession_date 2012-03-21 _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 'Backbone and sidechain assignments for Sgt2_NT and Get5_UBL' _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 Aline Simon . C. . 18341 2 Peter Simpson . J. . 18341 3 Rivka Isaacson . L. . 18341 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18341 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 18341 '15N chemical shifts' 82 18341 '1H chemical shifts' 527 18341 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 . . 2014-02-24 2012-03-21 update BMRB 'update entry citation' 18341 1 . . 2012-11-15 2012-03-21 original author 'original release' 18341 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18342 'Get5_UBL domain' 18341 PDB 4ASV 'BMRB Entry Tracking System' 18341 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18341 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23001946 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N assignments of Sgt2N-terminal dimerisation domain and its binding partner, Get5 Ubiquitin-like domain.' _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 2 _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 271 _Citation.Page_last 274 _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 Aline Simon . C. . 18341 1 2 Peter Simpson . J. . 18341 1 3 William Hawthorne . . . 18341 1 4 Lisa Hale . R. . 18341 1 5 Rachael Goldstone . M. . 18341 1 6 Rivka Isaacson . L. . 18341 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18341 _Assembly.ID 1 _Assembly.Name 'Sgt2_NT homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20162.2 _Assembly.Enzyme_commission_number . _Assembly.Details homodimer _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 'Sgt2_NT, 1' 1 $Sgt2_nt A . yes native no no . . . 18341 1 2 'Sgt2_NT, 2' 1 $Sgt2_nt B . no native no no . . . 18341 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sgt2_nt _Entity.Sf_category entity _Entity.Sf_framecode Sgt2_nt _Entity.Entry_ID 18341 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sgt2_nt _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHVDDDDKMSASKE EIAALIVNYFSSIVEKKEIS EDGADSLNVAMDCISEAFGF EREAVSGILGKSEFKGQHLA DILNSASRVPES ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10081.1 _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 BMRB 18670 . Sgt2 . . . . . 77.17 74 100.00 100.00 2.63e-40 . . . . 18341 1 2 no PDB 2LXB . "Solution Structure Of The Sgt2 Homodimerization Domain" . . . . . 77.17 74 100.00 100.00 2.63e-40 . . . . 18341 1 3 no PDB 2LXC . "Solution Structure Of The Complex Between The Sgt2 Homodimerization Domain And The Get5 Ubl Domain" . . . . . 77.17 74 100.00 100.00 2.63e-40 . . . . 18341 1 4 no PDB 3ZDM . "Crystal Structure Of The Sgt2 N Domain And The Get5 Ubl Domain Complex" . . . . . 78.26 72 100.00 100.00 2.52e-41 . . . . 18341 1 5 no PDB 4ASV . "Solution Structure Of The N-terminal Dimerisation Domain Of Sgt2" . . . . . 100.00 92 98.91 98.91 1.84e-56 . . . . 18341 1 6 no PDB 4ASW . "Structure Of The Complex Between The N-terminal Dimerisation Domain Of Sgt2 And The Ubl Domain Of Get5" . . . . . 100.00 92 98.91 98.91 1.84e-56 . . . . 18341 1 7 no DBJ GAA26330 . "K7_Sgt2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 84.78 346 100.00 100.00 1.65e-44 . . . . 18341 1 8 no EMBL CAA99195 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 84.78 346 100.00 100.00 1.65e-44 . . . . 18341 1 9 no EMBL CAY86295 . "Sgt2p [Saccharomyces cerevisiae EC1118]" . . . . . 84.78 346 100.00 100.00 1.65e-44 . . . . 18341 1 10 no GB AAC49487 . "hypothetical protein UNF346 [Saccharomyces cerevisiae]" . . . . . 84.78 346 100.00 100.00 1.65e-44 . . . . 18341 1 11 no GB AHY77314 . "Sgt2p [Saccharomyces cerevisiae YJM993]" . . . . . 84.78 346 100.00 100.00 1.65e-44 . . . . 18341 1 12 no GB AJP41546 . "Sgt2p [Saccharomyces cerevisiae YJM1078]" . . . . . 84.78 346 100.00 100.00 1.65e-44 . . . . 18341 1 13 no GB AJT70966 . "Sgt2p [Saccharomyces cerevisiae YJM189]" . . . . . 84.78 346 100.00 100.00 1.65e-44 . . . . 18341 1 14 no GB AJT71456 . "Sgt2p [Saccharomyces cerevisiae YJM193]" . . . . . 84.78 346 100.00 100.00 1.65e-44 . . . . 18341 1 15 no REF NP_014649 . "Sgt2p [Saccharomyces cerevisiae S288c]" . . . . . 84.78 346 100.00 100.00 1.65e-44 . . . . 18341 1 16 no SP Q12118 . "RecName: Full=Small glutamine-rich tetratricopeptide repeat-containing protein 2; AltName: Full=SGT/UBP; AltName: Full=Viral pr" . . . . . 84.78 346 100.00 100.00 1.65e-44 . . . . 18341 1 17 no TPG DAA10789 . "TPA: Sgt2p [Saccharomyces cerevisiae S288c]" . . . . . 84.78 346 100.00 100.00 1.65e-44 . . . . 18341 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 1 MET . 18341 1 2 2 ALA . 18341 1 3 3 HIS . 18341 1 4 4 HIS . 18341 1 5 5 HIS . 18341 1 6 6 HIS . 18341 1 7 7 HIS . 18341 1 8 8 HIS . 18341 1 9 9 VAL . 18341 1 10 10 ASP . 18341 1 11 11 ASP . 18341 1 12 12 ASP . 18341 1 13 13 ASP . 18341 1 14 14 LYS . 18341 1 15 15 MET . 18341 1 16 16 SER . 18341 1 17 17 ALA . 18341 1 18 18 SER . 18341 1 19 19 LYS . 18341 1 20 20 GLU . 18341 1 21 21 GLU . 18341 1 22 22 ILE . 18341 1 23 23 ALA . 18341 1 24 24 ALA . 18341 1 25 25 LEU . 18341 1 26 26 ILE . 18341 1 27 27 VAL . 18341 1 28 28 ASN . 18341 1 29 29 TYR . 18341 1 30 30 PHE . 18341 1 31 31 SER . 18341 1 32 32 SER . 18341 1 33 33 ILE . 18341 1 34 34 VAL . 18341 1 35 35 GLU . 18341 1 36 36 LYS . 18341 1 37 37 LYS . 18341 1 38 38 GLU . 18341 1 39 39 ILE . 18341 1 40 40 SER . 18341 1 41 41 GLU . 18341 1 42 42 ASP . 18341 1 43 43 GLY . 18341 1 44 44 ALA . 18341 1 45 45 ASP . 18341 1 46 46 SER . 18341 1 47 47 LEU . 18341 1 48 48 ASN . 18341 1 49 49 VAL . 18341 1 50 50 ALA . 18341 1 51 51 MET . 18341 1 52 52 ASP . 18341 1 53 53 CYS . 18341 1 54 54 ILE . 18341 1 55 55 SER . 18341 1 56 56 GLU . 18341 1 57 57 ALA . 18341 1 58 58 PHE . 18341 1 59 59 GLY . 18341 1 60 60 PHE . 18341 1 61 61 GLU . 18341 1 62 62 ARG . 18341 1 63 63 GLU . 18341 1 64 64 ALA . 18341 1 65 65 VAL . 18341 1 66 66 SER . 18341 1 67 67 GLY . 18341 1 68 68 ILE . 18341 1 69 69 LEU . 18341 1 70 70 GLY . 18341 1 71 71 LYS . 18341 1 72 72 SER . 18341 1 73 73 GLU . 18341 1 74 74 PHE . 18341 1 75 75 LYS . 18341 1 76 76 GLY . 18341 1 77 77 GLN . 18341 1 78 78 HIS . 18341 1 79 79 LEU . 18341 1 80 80 ALA . 18341 1 81 81 ASP . 18341 1 82 82 ILE . 18341 1 83 83 LEU . 18341 1 84 84 ASN . 18341 1 85 85 SER . 18341 1 86 86 ALA . 18341 1 87 87 SER . 18341 1 88 88 ARG . 18341 1 89 89 VAL . 18341 1 90 90 PRO . 18341 1 91 91 GLU . 18341 1 92 92 SER . 18341 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18341 1 . ALA 2 2 18341 1 . HIS 3 3 18341 1 . HIS 4 4 18341 1 . HIS 5 5 18341 1 . HIS 6 6 18341 1 . HIS 7 7 18341 1 . HIS 8 8 18341 1 . VAL 9 9 18341 1 . ASP 10 10 18341 1 . ASP 11 11 18341 1 . ASP 12 12 18341 1 . ASP 13 13 18341 1 . LYS 14 14 18341 1 . MET 15 15 18341 1 . SER 16 16 18341 1 . ALA 17 17 18341 1 . SER 18 18 18341 1 . LYS 19 19 18341 1 . GLU 20 20 18341 1 . GLU 21 21 18341 1 . ILE 22 22 18341 1 . ALA 23 23 18341 1 . ALA 24 24 18341 1 . LEU 25 25 18341 1 . ILE 26 26 18341 1 . VAL 27 27 18341 1 . ASN 28 28 18341 1 . TYR 29 29 18341 1 . PHE 30 30 18341 1 . SER 31 31 18341 1 . SER 32 32 18341 1 . ILE 33 33 18341 1 . VAL 34 34 18341 1 . GLU 35 35 18341 1 . LYS 36 36 18341 1 . LYS 37 37 18341 1 . GLU 38 38 18341 1 . ILE 39 39 18341 1 . SER 40 40 18341 1 . GLU 41 41 18341 1 . ASP 42 42 18341 1 . GLY 43 43 18341 1 . ALA 44 44 18341 1 . ASP 45 45 18341 1 . SER 46 46 18341 1 . LEU 47 47 18341 1 . ASN 48 48 18341 1 . VAL 49 49 18341 1 . ALA 50 50 18341 1 . MET 51 51 18341 1 . ASP 52 52 18341 1 . CYS 53 53 18341 1 . ILE 54 54 18341 1 . SER 55 55 18341 1 . GLU 56 56 18341 1 . ALA 57 57 18341 1 . PHE 58 58 18341 1 . GLY 59 59 18341 1 . PHE 60 60 18341 1 . GLU 61 61 18341 1 . ARG 62 62 18341 1 . GLU 63 63 18341 1 . ALA 64 64 18341 1 . VAL 65 65 18341 1 . SER 66 66 18341 1 . GLY 67 67 18341 1 . ILE 68 68 18341 1 . LEU 69 69 18341 1 . GLY 70 70 18341 1 . LYS 71 71 18341 1 . SER 72 72 18341 1 . GLU 73 73 18341 1 . PHE 74 74 18341 1 . LYS 75 75 18341 1 . GLY 76 76 18341 1 . GLN 77 77 18341 1 . HIS 78 78 18341 1 . LEU 79 79 18341 1 . ALA 80 80 18341 1 . ASP 81 81 18341 1 . ILE 82 82 18341 1 . LEU 83 83 18341 1 . ASN 84 84 18341 1 . SER 85 85 18341 1 . ALA 86 86 18341 1 . SER 87 87 18341 1 . ARG 88 88 18341 1 . VAL 89 89 18341 1 . PRO 90 90 18341 1 . GLU 91 91 18341 1 . SER 92 92 18341 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 18341 _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 $Sgt2_nt . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18341 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 18341 _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 $Sgt2_nt . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET46 . . . . . . 18341 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18341 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Sgt2_NT residues 1-78 with 14 amino acid tag MAHHHHHHVDDDDKmsaskeeiaalivnyfssivekkeisedgadslnvamdciseafgfereavsgilgksefkgqhladilnsasrvpes ; _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 Sgt2_nt '[U-98% 13C; U-98% 15N]' . . 1 $Sgt2_nt . . 700 . . uM . . . . 18341 1 2 MES 'natural abundance' . . . . . . 100 . . mM . . . . 18341 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18341 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18341 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18341 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18341 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18341 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Sgt2_NT residues 1-78 with 14 amino acid tag MAHHHHHHVDDDDKmsaskeeiaalivnyfssivekkeisedgadslnvamdciseafgfereavsgilgksefkgqhladilnsasrvpes ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Sgt2_nt '[U-100% 13C; U-100% 15N]' . . 1 $Sgt2_nt . . 500 . . uM . . . . 18341 2 2 MES 'natural abundance' . . . . . . 100 . . mM . . . . 18341 2 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18341 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18341 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18341 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18341 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Sgt2_NT residues 1-78 with 14 amino acid tag MAHHHHHHVDDDDKmsaskeeiaalivnyfssivekkeisedgadslnvamdciseafgfereavsgilgksefkgqhladilnsasrvpes ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Sgt2_nt '[U-98% 13C; U-98% 15N]' . . 1 $Sgt2_nt . . 700 . . uM . . . . 18341 3 2 MES 'natural abundance' . . . . . . 100 . . mM . . . . 18341 3 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18341 3 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18341 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18341 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18341 _Sample_condition_list.ID 1 _Sample_condition_list.Details '100mM MES, 150mM KCl, 0.5mM TCEP' 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' 0.250 . M 18341 1 pH 6.0 . pH 18341 1 pressure 1 . atm 18341 1 temperature 308 . K 18341 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18341 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18341 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18341 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18341 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18341 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18341 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18341 _Software.ID 3 _Software.Name NMRView _Software.Version 5.2.2_01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18341 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18341 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18341 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18341 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18341 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Oxford _NMR_spectrometer.Model Bespoke _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 18341 _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 . 600 . . . 18341 1 2 spectrometer_2 Bruker Avance . 800 . . . 18341 1 3 spectrometer_3 Oxford Bespoke . 950 . . . 18341 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 18341 _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 . . . . . . . . . . . . . . . . 18341 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18341 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18341 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18341 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18341 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18341 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18341 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18341 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18341 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18341 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18341 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18341 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18341 1 14 '3D F1 1H(13C,15N)-reject 13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18341 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 18341 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Referenced relative to DSS.' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18341 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18341 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18341 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_assignments_sgt2nt_93 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_sgt2nt_93 _Assigned_chem_shift_list.Entry_ID 18341 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18341 1 2 '3D HNCACB' . . . 18341 1 3 '3D CBCA(CO)NH' . . . 18341 1 4 '3D HNCO' . . . 18341 1 5 '3D HN(CA)CO' . . . 18341 1 6 '3D HBHA(CO)NH' . . . 18341 1 7 '3D HCCH-TOCSY' . . . 18341 1 8 '3D 1H-15N NOESY' . . . 18341 1 9 '3D H(CCO)NH' . . . 18341 1 10 '3D (H)CCH-TOCSY' . . . 18341 1 11 '3D 1H-13C NOESY' . . . 18341 1 12 '2D 1H-13C HSQC aliphatic' . . . 18341 1 13 '2D 1H-13C HSQC aromatic' . . . 18341 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 15 15 MET H H 1 8.283 0.03 . 1 . . . . 15 MET HN . 18341 1 2 . 1 1 15 15 MET HA H 1 4.469 0.03 . 1 . . . . 15 MET HA . 18341 1 3 . 1 1 15 15 MET HB2 H 1 2.010 0.03 . 2 . . . . 15 MET HB2 . 18341 1 4 . 1 1 15 15 MET HB3 H 1 2.041 0.03 . 2 . . . . 15 MET HB3 . 18341 1 5 . 1 1 15 15 MET HG2 H 1 2.476 0.03 . 2 . . . . 15 MET HG2 . 18341 1 6 . 1 1 15 15 MET HG3 H 1 2.569 0.03 . 2 . . . . 15 MET HG3 . 18341 1 7 . 1 1 15 15 MET C C 13 175.761 0.50 . 1 . . . . 15 MET C . 18341 1 8 . 1 1 15 15 MET CA C 13 55.442 0.50 . 1 . . . . 15 MET CA . 18341 1 9 . 1 1 15 15 MET CB C 13 33.046 0.50 . 1 . . . . 15 MET CB . 18341 1 10 . 1 1 15 15 MET CG C 13 32.049 0.50 . 1 . . . . 15 MET CG . 18341 1 11 . 1 1 15 15 MET N N 15 121.035 0.20 . 1 . . . . 15 MET N . 18341 1 12 . 1 1 16 16 SER H H 1 8.098 0.03 . 1 . . . . 16 SER HN . 18341 1 13 . 1 1 16 16 SER HA H 1 4.439 0.03 . 1 . . . . 16 SER HA . 18341 1 14 . 1 1 16 16 SER HB2 H 1 3.796 0.03 . 2 . . . . 16 SER HB2 . 18341 1 15 . 1 1 16 16 SER HB3 H 1 3.796 0.03 . 2 . . . . 16 SER HB3 . 18341 1 16 . 1 1 16 16 SER C C 13 173.882 0.50 . 1 . . . . 16 SER C . 18341 1 17 . 1 1 16 16 SER CA C 13 58.220 0.50 . 1 . . . . 16 SER CA . 18341 1 18 . 1 1 16 16 SER CB C 13 64.259 0.50 . 1 . . . . 16 SER CB . 18341 1 19 . 1 1 16 16 SER N N 15 116.775 0.20 . 1 . . . . 16 SER N . 18341 1 20 . 1 1 17 17 ALA H H 1 8.326 0.03 . 1 . . . . 17 ALA HN . 18341 1 21 . 1 1 17 17 ALA HA H 1 4.454 0.03 . 1 . . . . 17 ALA HA . 18341 1 22 . 1 1 17 17 ALA HB1 H 1 1.291 0.03 . 1 . . . . 17 ALA HB1 . 18341 1 23 . 1 1 17 17 ALA HB2 H 1 1.291 0.03 . 1 . . . . 17 ALA HB1 . 18341 1 24 . 1 1 17 17 ALA HB3 H 1 1.291 0.03 . 1 . . . . 17 ALA HB1 . 18341 1 25 . 1 1 17 17 ALA C C 13 177.450 0.50 . 1 . . . . 17 ALA C . 18341 1 26 . 1 1 17 17 ALA CA C 13 51.906 0.50 . 1 . . . . 17 ALA CA . 18341 1 27 . 1 1 17 17 ALA CB C 13 19.989 0.50 . 1 . . . . 17 ALA CB . 18341 1 28 . 1 1 17 17 ALA N N 15 125.290 0.20 . 1 . . . . 17 ALA N . 18341 1 29 . 1 1 18 18 SER H H 1 8.835 0.03 . 1 . . . . 18 SER HN . 18341 1 30 . 1 1 18 18 SER HA H 1 4.607 0.03 . 1 . . . . 18 SER HA . 18341 1 31 . 1 1 18 18 SER HB2 H 1 4.019 0.03 . 2 . . . . 18 SER HB2 . 18341 1 32 . 1 1 18 18 SER HB3 H 1 4.430 0.03 . 2 . . . . 18 SER HB3 . 18341 1 33 . 1 1 18 18 SER C C 13 175.589 0.50 . 1 . . . . 18 SER C . 18341 1 34 . 1 1 18 18 SER CA C 13 57.100 0.50 . 1 . . . . 18 SER CA . 18341 1 35 . 1 1 18 18 SER CB C 13 65.816 0.50 . 1 . . . . 18 SER CB . 18341 1 36 . 1 1 18 18 SER N N 15 118.205 0.20 . 1 . . . . 18 SER N . 18341 1 37 . 1 1 19 19 LYS H H 1 8.931 0.03 . 1 . . . . 19 LYS HN . 18341 1 38 . 1 1 19 19 LYS HA H 1 4.086 0.03 . 1 . . . . 19 LYS HA . 18341 1 39 . 1 1 19 19 LYS HB2 H 1 1.910 0.03 . 2 . . . . 19 LYS HB2 . 18341 1 40 . 1 1 19 19 LYS HB3 H 1 2.096 0.03 . 2 . . . . 19 LYS HB3 . 18341 1 41 . 1 1 19 19 LYS HG2 H 1 1.688 0.03 . 2 . . . . 19 LYS HG2 . 18341 1 42 . 1 1 19 19 LYS HG3 H 1 1.804 0.03 . 2 . . . . 19 LYS HG3 . 18341 1 43 . 1 1 19 19 LYS HD2 H 1 1.980 0.03 . 2 . . . . 19 LYS HD2 . 18341 1 44 . 1 1 19 19 LYS HD3 H 1 2.000 0.03 . 2 . . . . 19 LYS HD3 . 18341 1 45 . 1 1 19 19 LYS HE2 H 1 3.172 0.03 . 2 . . . . 19 LYS HE2 . 18341 1 46 . 1 1 19 19 LYS HE3 H 1 3.232 0.03 . 2 . . . . 19 LYS HE3 . 18341 1 47 . 1 1 19 19 LYS C C 13 178.704 0.50 . 1 . . . . 19 LYS C . 18341 1 48 . 1 1 19 19 LYS CA C 13 60.005 0.50 . 1 . . . . 19 LYS CA . 18341 1 49 . 1 1 19 19 LYS CB C 13 32.139 0.50 . 1 . . . . 19 LYS CB . 18341 1 50 . 1 1 19 19 LYS CG C 13 25.339 0.50 . 1 . . . . 19 LYS CG . 18341 1 51 . 1 1 19 19 LYS CD C 13 29.530 0.50 . 1 . . . . 19 LYS CD . 18341 1 52 . 1 1 19 19 LYS CE C 13 42.023 0.50 . 1 . . . . 19 LYS CE . 18341 1 53 . 1 1 19 19 LYS N N 15 119.839 0.20 . 1 . . . . 19 LYS N . 18341 1 54 . 1 1 20 20 GLU H H 1 8.962 0.03 . 1 . . . . 20 GLU HN . 18341 1 55 . 1 1 20 20 GLU HA H 1 3.831 0.03 . 1 . . . . 20 GLU HA . 18341 1 56 . 1 1 20 20 GLU HB2 H 1 2.279 0.03 . 2 . . . . 20 GLU HB2 . 18341 1 57 . 1 1 20 20 GLU HB3 H 1 1.986 0.03 . 2 . . . . 20 GLU HB3 . 18341 1 58 . 1 1 20 20 GLU HG2 H 1 2.456 0.03 . 2 . . . . 20 GLU HG2 . 18341 1 59 . 1 1 20 20 GLU HG3 H 1 2.644 0.03 . 2 . . . . 20 GLU HG3 . 18341 1 60 . 1 1 20 20 GLU C C 13 177.706 0.50 . 1 . . . . 20 GLU C . 18341 1 61 . 1 1 20 20 GLU CA C 13 61.427 0.50 . 1 . . . . 20 GLU CA . 18341 1 62 . 1 1 20 20 GLU CB C 13 28.863 0.50 . 1 . . . . 20 GLU CB . 18341 1 63 . 1 1 20 20 GLU CG C 13 37.488 0.50 . 1 . . . . 20 GLU CG . 18341 1 64 . 1 1 20 20 GLU N N 15 119.715 0.20 . 1 . . . . 20 GLU N . 18341 1 65 . 1 1 21 21 GLU H H 1 7.671 0.03 . 1 . . . . 21 GLU HN . 18341 1 66 . 1 1 21 21 GLU HA H 1 3.637 0.03 . 1 . . . . 21 GLU HA . 18341 1 67 . 1 1 21 21 GLU HB2 H 1 2.521 0.03 . 2 . . . . 21 GLU HB2 . 18341 1 68 . 1 1 21 21 GLU HB3 H 1 1.846 0.03 . 2 . . . . 21 GLU HB3 . 18341 1 69 . 1 1 21 21 GLU HG2 H 1 2.081 0.03 . 2 . . . . 21 GLU HG2 . 18341 1 70 . 1 1 21 21 GLU HG3 H 1 2.355 0.03 . 2 . . . . 21 GLU HG3 . 18341 1 71 . 1 1 21 21 GLU C C 13 178.377 0.50 . 1 . . . . 21 GLU C . 18341 1 72 . 1 1 21 21 GLU CA C 13 59.732 0.50 . 1 . . . . 21 GLU CA . 18341 1 73 . 1 1 21 21 GLU CB C 13 29.510 0.50 . 1 . . . . 21 GLU CB . 18341 1 74 . 1 1 21 21 GLU CG C 13 37.761 0.50 . 1 . . . . 21 GLU CG . 18341 1 75 . 1 1 21 21 GLU N N 15 118.749 0.20 . 1 . . . . 21 GLU N . 18341 1 76 . 1 1 22 22 ILE H H 1 8.061 0.03 . 1 . . . . 22 ILE HN . 18341 1 77 . 1 1 22 22 ILE HA H 1 3.196 0.03 . 1 . . . . 22 ILE HA . 18341 1 78 . 1 1 22 22 ILE HB H 1 1.712 0.03 . 1 . . . . 22 ILE HB . 18341 1 79 . 1 1 22 22 ILE HG12 H 1 0.535 0.03 . 1 . . . . 22 ILE HG12 . 18341 1 80 . 1 1 22 22 ILE HG13 H 1 1.861 0.03 . 1 . . . . 22 ILE HG13 . 18341 1 81 . 1 1 22 22 ILE HG21 H 1 0.162 0.03 . 1 . . . . 22 ILE HG21 . 18341 1 82 . 1 1 22 22 ILE HG22 H 1 0.162 0.03 . 1 . . . . 22 ILE HG21 . 18341 1 83 . 1 1 22 22 ILE HG23 H 1 0.162 0.03 . 1 . . . . 22 ILE HG21 . 18341 1 84 . 1 1 22 22 ILE HD11 H 1 0.660 0.03 . 1 . . . . 22 ILE HD11 . 18341 1 85 . 1 1 22 22 ILE HD12 H 1 0.660 0.03 . 1 . . . . 22 ILE HD11 . 18341 1 86 . 1 1 22 22 ILE HD13 H 1 0.660 0.03 . 1 . . . . 22 ILE HD11 . 18341 1 87 . 1 1 22 22 ILE C C 13 177.709 0.50 . 1 . . . . 22 ILE C . 18341 1 88 . 1 1 22 22 ILE CA C 13 66.128 0.50 . 1 . . . . 22 ILE CA . 18341 1 89 . 1 1 22 22 ILE CB C 13 37.668 0.50 . 1 . . . . 22 ILE CB . 18341 1 90 . 1 1 22 22 ILE CG1 C 13 29.516 0.50 . 1 . . . . 22 ILE CG1 . 18341 1 91 . 1 1 22 22 ILE CG2 C 13 17.216 0.50 . 1 . . . . 22 ILE CG2 . 18341 1 92 . 1 1 22 22 ILE CD1 C 13 12.776 0.50 . 1 . . . . 22 ILE CD1 . 18341 1 93 . 1 1 22 22 ILE N N 15 118.546 0.20 . 1 . . . . 22 ILE N . 18341 1 94 . 1 1 23 23 ALA H H 1 8.184 0.03 . 1 . . . . 23 ALA HN . 18341 1 95 . 1 1 23 23 ALA HA H 1 3.851 0.03 . 1 . . . . 23 ALA HA . 18341 1 96 . 1 1 23 23 ALA HB1 H 1 1.031 0.03 . 1 . . . . 23 ALA HB1 . 18341 1 97 . 1 1 23 23 ALA HB2 H 1 1.031 0.03 . 1 . . . . 23 ALA HB1 . 18341 1 98 . 1 1 23 23 ALA HB3 H 1 1.031 0.03 . 1 . . . . 23 ALA HB1 . 18341 1 99 . 1 1 23 23 ALA C C 13 179.337 0.50 . 1 . . . . 23 ALA C . 18341 1 100 . 1 1 23 23 ALA CA C 13 55.805 0.50 . 1 . . . . 23 ALA CA . 18341 1 101 . 1 1 23 23 ALA CB C 13 17.904 0.50 . 1 . . . . 23 ALA CB . 18341 1 102 . 1 1 23 23 ALA N N 15 120.509 0.20 . 1 . . . . 23 ALA N . 18341 1 103 . 1 1 24 24 ALA H H 1 8.342 0.03 . 1 . . . . 24 ALA HN . 18341 1 104 . 1 1 24 24 ALA HA H 1 3.874 0.03 . 1 . . . . 24 ALA HA . 18341 1 105 . 1 1 24 24 ALA HB1 H 1 1.149 0.03 . 1 . . . . 24 ALA HB1 . 18341 1 106 . 1 1 24 24 ALA HB2 H 1 1.149 0.03 . 1 . . . . 24 ALA HB1 . 18341 1 107 . 1 1 24 24 ALA HB3 H 1 1.149 0.03 . 1 . . . . 24 ALA HB1 . 18341 1 108 . 1 1 24 24 ALA C C 13 178.581 0.50 . 1 . . . . 24 ALA C . 18341 1 109 . 1 1 24 24 ALA CA C 13 55.170 0.50 . 1 . . . . 24 ALA CA . 18341 1 110 . 1 1 24 24 ALA CB C 13 17.450 0.50 . 1 . . . . 24 ALA CB . 18341 1 111 . 1 1 24 24 ALA N N 15 120.327 0.20 . 1 . . . . 24 ALA N . 18341 1 112 . 1 1 25 25 LEU H H 1 8.078 0.03 . 1 . . . . 25 LEU HN . 18341 1 113 . 1 1 25 25 LEU HA H 1 3.827 0.03 . 1 . . . . 25 LEU HA . 18341 1 114 . 1 1 25 25 LEU HB2 H 1 1.376 0.03 . 2 . . . . 25 LEU HB2 . 18341 1 115 . 1 1 25 25 LEU HB3 H 1 1.673 0.03 . 2 . . . . 25 LEU HB3 . 18341 1 116 . 1 1 25 25 LEU HG H 1 1.227 0.03 . 1 . . . . 25 LEU HG . 18341 1 117 . 1 1 25 25 LEU HD11 H 1 -0.070 0.03 . 2 . . . . 25 LEU HD11 . 18341 1 118 . 1 1 25 25 LEU HD12 H 1 -0.070 0.03 . 2 . . . . 25 LEU HD11 . 18341 1 119 . 1 1 25 25 LEU HD13 H 1 -0.070 0.03 . 2 . . . . 25 LEU HD11 . 18341 1 120 . 1 1 25 25 LEU HD21 H 1 0.428 0.03 . 2 . . . . 25 LEU HD21 . 18341 1 121 . 1 1 25 25 LEU HD22 H 1 0.428 0.03 . 2 . . . . 25 LEU HD21 . 18341 1 122 . 1 1 25 25 LEU HD23 H 1 0.428 0.03 . 2 . . . . 25 LEU HD21 . 18341 1 123 . 1 1 25 25 LEU CA C 13 58.150 0.50 . 1 . . . . 25 LEU CA . 18341 1 124 . 1 1 25 25 LEU CB C 13 41.800 0.50 . 1 . . . . 25 LEU CB . 18341 1 125 . 1 1 25 25 LEU CG C 13 26.064 0.50 . 1 . . . . 25 LEU CG . 18341 1 126 . 1 1 25 25 LEU CD1 C 13 26.064 0.50 . 1 . . . . 25 LEU CD1 . 18341 1 127 . 1 1 25 25 LEU CD2 C 13 23.800 0.50 . 1 . . . . 25 LEU CD2 . 18341 1 128 . 1 1 25 25 LEU N N 15 121.185 0.20 . 1 . . . . 25 LEU N . 18341 1 129 . 1 1 26 26 ILE HA H 1 3.237 0.03 . 1 . . . . 26 ILE HA . 18341 1 130 . 1 1 26 26 ILE HB H 1 2.159 0.03 . 1 . . . . 26 ILE HB . 18341 1 131 . 1 1 26 26 ILE HG12 H 1 0.300 0.03 . 1 . . . . 26 ILE HG12 . 18341 1 132 . 1 1 26 26 ILE HG13 H 1 1.565 0.03 . 1 . . . . 26 ILE HG13 . 18341 1 133 . 1 1 26 26 ILE HG21 H 1 0.757 0.03 . 1 . . . . 26 ILE HG21 . 18341 1 134 . 1 1 26 26 ILE HG22 H 1 0.757 0.03 . 1 . . . . 26 ILE HG21 . 18341 1 135 . 1 1 26 26 ILE HG23 H 1 0.757 0.03 . 1 . . . . 26 ILE HG21 . 18341 1 136 . 1 1 26 26 ILE HD11 H 1 0.451 0.03 . 1 . . . . 26 ILE HD11 . 18341 1 137 . 1 1 26 26 ILE HD12 H 1 0.451 0.03 . 1 . . . . 26 ILE HD11 . 18341 1 138 . 1 1 26 26 ILE HD13 H 1 0.451 0.03 . 1 . . . . 26 ILE HD11 . 18341 1 139 . 1 1 26 26 ILE C C 13 177.139 0.50 . 1 . . . . 26 ILE C . 18341 1 140 . 1 1 26 26 ILE CA C 13 66.051 0.50 . 1 . . . . 26 ILE CA . 18341 1 141 . 1 1 26 26 ILE CB C 13 38.280 0.50 . 1 . . . . 26 ILE CB . 18341 1 142 . 1 1 26 26 ILE CG1 C 13 29.260 0.50 . 1 . . . . 26 ILE CG1 . 18341 1 143 . 1 1 26 26 ILE CG2 C 13 18.810 0.50 . 1 . . . . 26 ILE CG2 . 18341 1 144 . 1 1 26 26 ILE CD1 C 13 15.455 0.50 . 1 . . . . 26 ILE CD1 . 18341 1 145 . 1 1 27 27 VAL H H 1 8.755 0.03 . 1 . . . . 27 VAL HN . 18341 1 146 . 1 1 27 27 VAL HA H 1 3.615 0.03 . 1 . . . . 27 VAL HA . 18341 1 147 . 1 1 27 27 VAL HB H 1 2.441 0.03 . 1 . . . . 27 VAL HB . 18341 1 148 . 1 1 27 27 VAL HG11 H 1 1.368 0.03 . 2 . . . . 27 VAL HG11 . 18341 1 149 . 1 1 27 27 VAL HG12 H 1 1.368 0.03 . 2 . . . . 27 VAL HG11 . 18341 1 150 . 1 1 27 27 VAL HG13 H 1 1.368 0.03 . 2 . . . . 27 VAL HG11 . 18341 1 151 . 1 1 27 27 VAL HG21 H 1 1.172 0.03 . 2 . . . . 27 VAL HG21 . 18341 1 152 . 1 1 27 27 VAL HG22 H 1 1.172 0.03 . 2 . . . . 27 VAL HG21 . 18341 1 153 . 1 1 27 27 VAL HG23 H 1 1.172 0.03 . 2 . . . . 27 VAL HG21 . 18341 1 154 . 1 1 27 27 VAL C C 13 177.961 0.50 . 1 . . . . 27 VAL C . 18341 1 155 . 1 1 27 27 VAL CA C 13 68.267 0.50 . 1 . . . . 27 VAL CA . 18341 1 156 . 1 1 27 27 VAL CB C 13 31.315 0.50 . 1 . . . . 27 VAL CB . 18341 1 157 . 1 1 27 27 VAL CG1 C 13 24.687 0.50 . 1 . . . . 27 VAL CG1 . 18341 1 158 . 1 1 27 27 VAL CG2 C 13 22.599 0.50 . 1 . . . . 27 VAL CG2 . 18341 1 159 . 1 1 27 27 VAL N N 15 120.747 0.20 . 1 . . . . 27 VAL N . 18341 1 160 . 1 1 28 28 ASN H H 1 8.756 0.03 . 1 . . . . 28 ASN HN . 18341 1 161 . 1 1 28 28 ASN HA H 1 4.524 0.03 . 1 . . . . 28 ASN HA . 18341 1 162 . 1 1 28 28 ASN HB2 H 1 2.710 0.03 . 2 . . . . 28 ASN HB2 . 18341 1 163 . 1 1 28 28 ASN HB3 H 1 2.750 0.03 . 2 . . . . 28 ASN HB3 . 18341 1 164 . 1 1 28 28 ASN HD21 H 1 7.017 0.03 . 2 . . . . 28 ASN HD21 . 18341 1 165 . 1 1 28 28 ASN HD22 H 1 7.696 0.03 . 2 . . . . 28 ASN HD22 . 18341 1 166 . 1 1 28 28 ASN C C 13 177.139 0.50 . 1 . . . . 28 ASN C . 18341 1 167 . 1 1 28 28 ASN CA C 13 56.827 0.50 . 1 . . . . 28 ASN CA . 18341 1 168 . 1 1 28 28 ASN CB C 13 40.028 0.50 . 1 . . . . 28 ASN CB . 18341 1 169 . 1 1 28 28 ASN N N 15 119.045 0.20 . 1 . . . . 28 ASN N . 18341 1 170 . 1 1 28 28 ASN ND2 N 15 113.122 0.20 . 1 . . . . 28 ASN ND2 . 18341 1 171 . 1 1 29 29 TYR H H 1 8.065 0.03 . 1 . . . . 29 TYR HN . 18341 1 172 . 1 1 29 29 TYR HA H 1 4.314 0.03 . 1 . . . . 29 TYR HA . 18341 1 173 . 1 1 29 29 TYR HB2 H 1 3.086 0.03 . 2 . . . . 29 TYR HB2 . 18341 1 174 . 1 1 29 29 TYR HB3 H 1 2.970 0.03 . 2 . . . . 29 TYR HB3 . 18341 1 175 . 1 1 29 29 TYR HD1 H 1 6.665 0.03 . 3 . . . . 29 TYR HD1 . 18341 1 176 . 1 1 29 29 TYR HD2 H 1 6.665 0.03 . 3 . . . . 29 TYR HD2 . 18341 1 177 . 1 1 29 29 TYR HE1 H 1 6.620 0.03 . 3 . . . . 29 TYR HE1 . 18341 1 178 . 1 1 29 29 TYR HE2 H 1 6.620 0.03 . 3 . . . . 29 TYR HE2 . 18341 1 179 . 1 1 29 29 TYR C C 13 178.409 0.50 . 1 . . . . 29 TYR C . 18341 1 180 . 1 1 29 29 TYR CA C 13 61.246 0.50 . 1 . . . . 29 TYR CA . 18341 1 181 . 1 1 29 29 TYR CB C 13 38.124 0.50 . 1 . . . . 29 TYR CB . 18341 1 182 . 1 1 29 29 TYR CD1 C 13 133.350 0.50 . 3 . . . . 29 TYR CD1 . 18341 1 183 . 1 1 29 29 TYR CD2 C 13 133.350 0.50 . 3 . . . . 29 TYR CD2 . 18341 1 184 . 1 1 29 29 TYR CE1 C 13 117.500 0.50 . 3 . . . . 29 TYR CE1 . 18341 1 185 . 1 1 29 29 TYR CE2 C 13 117.500 0.50 . 3 . . . . 29 TYR CE2 . 18341 1 186 . 1 1 29 29 TYR N N 15 121.740 0.20 . 1 . . . . 29 TYR N . 18341 1 187 . 1 1 30 30 PHE H H 1 8.400 0.03 . 1 . . . . 30 PHE HN . 18341 1 188 . 1 1 30 30 PHE HA H 1 4.439 0.03 . 1 . . . . 30 PHE HA . 18341 1 189 . 1 1 30 30 PHE HB2 H 1 3.167 0.03 . 2 . . . . 30 PHE HB2 . 18341 1 190 . 1 1 30 30 PHE HB3 H 1 3.552 0.03 . 2 . . . . 30 PHE HB3 . 18341 1 191 . 1 1 30 30 PHE HD1 H 1 7.189 0.03 . 3 . . . . 30 PHE HD1 . 18341 1 192 . 1 1 30 30 PHE HD2 H 1 7.189 0.03 . 3 . . . . 30 PHE HD2 . 18341 1 193 . 1 1 30 30 PHE HE1 H 1 7.316 0.03 . 3 . . . . 30 PHE HE1 . 18341 1 194 . 1 1 30 30 PHE HE2 H 1 7.316 0.03 . 3 . . . . 30 PHE HE2 . 18341 1 195 . 1 1 30 30 PHE C C 13 177.733 0.50 . 1 . . . . 30 PHE C . 18341 1 196 . 1 1 30 30 PHE CA C 13 58.280 0.50 . 1 . . . . 30 PHE CA . 18341 1 197 . 1 1 30 30 PHE CB C 13 37.488 0.50 . 1 . . . . 30 PHE CB . 18341 1 198 . 1 1 30 30 PHE CD1 C 13 130.620 0.50 . 3 . . . . 30 PHE CD1 . 18341 1 199 . 1 1 30 30 PHE CD2 C 13 130.620 0.50 . 3 . . . . 30 PHE CD2 . 18341 1 200 . 1 1 30 30 PHE CE1 C 13 130.620 0.50 . 3 . . . . 30 PHE CE1 . 18341 1 201 . 1 1 30 30 PHE CE2 C 13 130.620 0.50 . 3 . . . . 30 PHE CE2 . 18341 1 202 . 1 1 30 30 PHE N N 15 118.921 0.20 . 1 . . . . 30 PHE N . 18341 1 203 . 1 1 31 31 SER H H 1 9.096 0.03 . 1 . . . . 31 SER HN . 18341 1 204 . 1 1 31 31 SER HA H 1 4.175 0.03 . 1 . . . . 31 SER HA . 18341 1 205 . 1 1 31 31 SER HB2 H 1 4.071 0.03 . 2 . . . . 31 SER HB2 . 18341 1 206 . 1 1 31 31 SER HB3 H 1 4.071 0.03 . 2 . . . . 31 SER HB3 . 18341 1 207 . 1 1 31 31 SER C C 13 176.711 0.50 . 1 . . . . 31 SER C . 18341 1 208 . 1 1 31 31 SER CA C 13 62.638 0.50 . 1 . . . . 31 SER CA . 18341 1 209 . 1 1 31 31 SER CB C 13 62.638 0.50 . 1 . . . . 31 SER CB . 18341 1 210 . 1 1 31 31 SER N N 15 116.451 0.20 . 1 . . . . 31 SER N . 18341 1 211 . 1 1 32 32 SER H H 1 7.916 0.03 . 1 . . . . 32 SER HN . 18341 1 212 . 1 1 32 32 SER HA H 1 4.289 0.03 . 1 . . . . 32 SER HA . 18341 1 213 . 1 1 32 32 SER HB2 H 1 3.993 0.03 . 2 . . . . 32 SER HB2 . 18341 1 214 . 1 1 32 32 SER HB3 H 1 4.064 0.03 . 2 . . . . 32 SER HB3 . 18341 1 215 . 1 1 32 32 SER C C 13 175.583 0.50 . 1 . . . . 32 SER C . 18341 1 216 . 1 1 32 32 SER CA C 13 61.495 0.50 . 1 . . . . 32 SER CA . 18341 1 217 . 1 1 32 32 SER CB C 13 63.038 0.50 . 1 . . . . 32 SER CB . 18341 1 218 . 1 1 32 32 SER N N 15 117.608 0.20 . 1 . . . . 32 SER N . 18341 1 219 . 1 1 33 33 ILE H H 1 7.258 0.03 . 1 . . . . 33 ILE HN . 18341 1 220 . 1 1 33 33 ILE HA H 1 3.767 0.03 . 1 . . . . 33 ILE HA . 18341 1 221 . 1 1 33 33 ILE HB H 1 2.081 0.03 . 1 . . . . 33 ILE HB . 18341 1 222 . 1 1 33 33 ILE HG12 H 1 1.145 0.03 . 1 . . . . 33 ILE HG12 . 18341 1 223 . 1 1 33 33 ILE HG13 H 1 1.360 0.03 . 1 . . . . 33 ILE HG13 . 18341 1 224 . 1 1 33 33 ILE HG21 H 1 0.728 0.03 . 1 . . . . 33 ILE HG21 . 18341 1 225 . 1 1 33 33 ILE HG22 H 1 0.728 0.03 . 1 . . . . 33 ILE HG21 . 18341 1 226 . 1 1 33 33 ILE HG23 H 1 0.728 0.03 . 1 . . . . 33 ILE HG21 . 18341 1 227 . 1 1 33 33 ILE HD11 H 1 0.728 0.03 . 1 . . . . 33 ILE HD11 . 18341 1 228 . 1 1 33 33 ILE HD12 H 1 0.728 0.03 . 1 . . . . 33 ILE HD11 . 18341 1 229 . 1 1 33 33 ILE HD13 H 1 0.728 0.03 . 1 . . . . 33 ILE HD11 . 18341 1 230 . 1 1 33 33 ILE C C 13 178.079 0.50 . 1 . . . . 33 ILE C . 18341 1 231 . 1 1 33 33 ILE CA C 13 64.147 0.50 . 1 . . . . 33 ILE CA . 18341 1 232 . 1 1 33 33 ILE CB C 13 37.489 0.50 . 1 . . . . 33 ILE CB . 18341 1 233 . 1 1 33 33 ILE CG1 C 13 28.240 0.50 . 1 . . . . 33 ILE CG1 . 18341 1 234 . 1 1 33 33 ILE CG2 C 13 17.632 0.50 . 1 . . . . 33 ILE CG2 . 18341 1 235 . 1 1 33 33 ILE CD1 C 13 12.373 0.50 . 1 . . . . 33 ILE CD1 . 18341 1 236 . 1 1 33 33 ILE N N 15 122.015 0.20 . 1 . . . . 33 ILE N . 18341 1 237 . 1 1 34 34 VAL H H 1 7.673 0.03 . 1 . . . . 34 VAL HN . 18341 1 238 . 1 1 34 34 VAL HA H 1 3.569 0.03 . 1 . . . . 34 VAL HA . 18341 1 239 . 1 1 34 34 VAL HB H 1 2.212 0.03 . 1 . . . . 34 VAL HB . 18341 1 240 . 1 1 34 34 VAL HG11 H 1 0.995 0.03 . 2 . . . . 34 VAL HG11 . 18341 1 241 . 1 1 34 34 VAL HG12 H 1 0.995 0.03 . 2 . . . . 34 VAL HG11 . 18341 1 242 . 1 1 34 34 VAL HG13 H 1 0.995 0.03 . 2 . . . . 34 VAL HG11 . 18341 1 243 . 1 1 34 34 VAL HG21 H 1 0.956 0.03 . 2 . . . . 34 VAL HG21 . 18341 1 244 . 1 1 34 34 VAL HG22 H 1 0.956 0.03 . 2 . . . . 34 VAL HG21 . 18341 1 245 . 1 1 34 34 VAL HG23 H 1 0.956 0.03 . 2 . . . . 34 VAL HG21 . 18341 1 246 . 1 1 34 34 VAL C C 13 180.341 0.50 . 1 . . . . 34 VAL C . 18341 1 247 . 1 1 34 34 VAL CA C 13 66.867 0.50 . 1 . . . . 34 VAL CA . 18341 1 248 . 1 1 34 34 VAL CB C 13 31.958 0.50 . 1 . . . . 34 VAL CB . 18341 1 249 . 1 1 34 34 VAL CG1 C 13 23.344 0.50 . 1 . . . . 34 VAL CG1 . 18341 1 250 . 1 1 34 34 VAL CG2 C 13 21.531 0.50 . 1 . . . . 34 VAL CG2 . 18341 1 251 . 1 1 34 34 VAL N N 15 118.100 0.20 . 1 . . . . 34 VAL N . 18341 1 252 . 1 1 35 35 GLU H H 1 8.722 0.03 . 1 . . . . 35 GLU HN . 18341 1 253 . 1 1 35 35 GLU HA H 1 3.999 0.03 . 1 . . . . 35 GLU HA . 18341 1 254 . 1 1 35 35 GLU HB2 H 1 2.151 0.03 . 2 . . . . 35 GLU HB2 . 18341 1 255 . 1 1 35 35 GLU HB3 H 1 2.088 0.03 . 2 . . . . 35 GLU HB3 . 18341 1 256 . 1 1 35 35 GLU HG2 H 1 2.273 0.03 . 2 . . . . 35 GLU HG2 . 18341 1 257 . 1 1 35 35 GLU HG3 H 1 2.370 0.03 . 2 . . . . 35 GLU HG3 . 18341 1 258 . 1 1 35 35 GLU C C 13 178.583 0.50 . 1 . . . . 35 GLU C . 18341 1 259 . 1 1 35 35 GLU CA C 13 59.341 0.50 . 1 . . . . 35 GLU CA . 18341 1 260 . 1 1 35 35 GLU CB C 13 29.238 0.50 . 1 . . . . 35 GLU CB . 18341 1 261 . 1 1 35 35 GLU CG C 13 36.310 0.50 . 1 . . . . 35 GLU CG . 18341 1 262 . 1 1 35 35 GLU N N 15 121.969 0.20 . 1 . . . . 35 GLU N . 18341 1 263 . 1 1 36 36 LYS H H 1 7.805 0.03 . 1 . . . . 36 LYS HN . 18341 1 264 . 1 1 36 36 LYS HA H 1 4.184 0.03 . 1 . . . . 36 LYS HA . 18341 1 265 . 1 1 36 36 LYS HB2 H 1 1.728 0.03 . 2 . . . . 36 LYS HB2 . 18341 1 266 . 1 1 36 36 LYS HB3 H 1 2.037 0.03 . 2 . . . . 36 LYS HB3 . 18341 1 267 . 1 1 36 36 LYS HG2 H 1 1.423 0.03 . 2 . . . . 36 LYS HG2 . 18341 1 268 . 1 1 36 36 LYS HG3 H 1 1.642 0.03 . 2 . . . . 36 LYS HG3 . 18341 1 269 . 1 1 36 36 LYS HD2 H 1 1.620 0.03 . 2 . . . . 36 LYS HD2 . 18341 1 270 . 1 1 36 36 LYS HD3 H 1 1.590 0.03 . 2 . . . . 36 LYS HD3 . 18341 1 271 . 1 1 36 36 LYS HE2 H 1 2.913 0.03 . 2 . . . . 36 LYS HE2 . 18341 1 272 . 1 1 36 36 LYS HE3 H 1 2.911 0.03 . 2 . . . . 36 LYS HE3 . 18341 1 273 . 1 1 36 36 LYS C C 13 175.435 0.50 . 1 . . . . 36 LYS C . 18341 1 274 . 1 1 36 36 LYS CA C 13 56.621 0.50 . 1 . . . . 36 LYS CA . 18341 1 275 . 1 1 36 36 LYS CB C 13 32.495 0.50 . 1 . . . . 36 LYS CB . 18341 1 276 . 1 1 36 36 LYS CG C 13 25.883 0.50 . 1 . . . . 36 LYS CG . 18341 1 277 . 1 1 36 36 LYS CD C 13 29.045 0.50 . 1 . . . . 36 LYS CD . 18341 1 278 . 1 1 36 36 LYS CE C 13 41.841 0.50 . 1 . . . . 36 LYS CE . 18341 1 279 . 1 1 36 36 LYS N N 15 115.254 0.20 . 1 . . . . 36 LYS N . 18341 1 280 . 1 1 37 37 LYS H H 1 7.921 0.03 . 1 . . . . 37 LYS HN . 18341 1 281 . 1 1 37 37 LYS HA H 1 3.930 0.03 . 1 . . . . 37 LYS HA . 18341 1 282 . 1 1 37 37 LYS HB2 H 1 1.987 0.03 . 2 . . . . 37 LYS HB2 . 18341 1 283 . 1 1 37 37 LYS HB3 H 1 2.081 0.03 . 2 . . . . 37 LYS HB3 . 18341 1 284 . 1 1 37 37 LYS HG2 H 1 1.399 0.03 . 2 . . . . 37 LYS HG2 . 18341 1 285 . 1 1 37 37 LYS HG3 H 1 1.380 0.03 . 2 . . . . 37 LYS HG3 . 18341 1 286 . 1 1 37 37 LYS HD2 H 1 1.712 0.03 . 2 . . . . 37 LYS HD2 . 18341 1 287 . 1 1 37 37 LYS HD3 H 1 1.752 0.03 . 2 . . . . 37 LYS HD3 . 18341 1 288 . 1 1 37 37 LYS HE2 H 1 3.036 0.03 . 2 . . . . 37 LYS HE2 . 18341 1 289 . 1 1 37 37 LYS HE3 H 1 3.028 0.03 . 2 . . . . 37 LYS HE3 . 18341 1 290 . 1 1 37 37 LYS C C 13 176.651 0.50 . 1 . . . . 37 LYS C . 18341 1 291 . 1 1 37 37 LYS CA C 13 57.256 0.50 . 1 . . . . 37 LYS CA . 18341 1 292 . 1 1 37 37 LYS CB C 13 28.954 0.50 . 1 . . . . 37 LYS CB . 18341 1 293 . 1 1 37 37 LYS CG C 13 24.868 0.50 . 1 . . . . 37 LYS CG . 18341 1 294 . 1 1 37 37 LYS CD C 13 28.863 0.50 . 1 . . . . 37 LYS CD . 18341 1 295 . 1 1 37 37 LYS CE C 13 42.295 0.50 . 1 . . . . 37 LYS CE . 18341 1 296 . 1 1 37 37 LYS N N 15 115.312 0.20 . 1 . . . . 37 LYS N . 18341 1 297 . 1 1 38 38 GLU H H 1 8.097 0.03 . 1 . . . . 38 GLU HN . 18341 1 298 . 1 1 38 38 GLU HA H 1 4.305 0.03 . 1 . . . . 38 GLU HA . 18341 1 299 . 1 1 38 38 GLU HB2 H 1 1.846 0.03 . 2 . . . . 38 GLU HB2 . 18341 1 300 . 1 1 38 38 GLU HB3 H 1 2.245 0.03 . 2 . . . . 38 GLU HB3 . 18341 1 301 . 1 1 38 38 GLU HG2 H 1 2.200 0.03 . 2 . . . . 38 GLU HG2 . 18341 1 302 . 1 1 38 38 GLU HG3 H 1 2.186 0.03 . 2 . . . . 38 GLU HG3 . 18341 1 303 . 1 1 38 38 GLU C C 13 174.859 0.50 . 1 . . . . 38 GLU C . 18341 1 304 . 1 1 38 38 GLU CA C 13 56.555 0.50 . 1 . . . . 38 GLU CA . 18341 1 305 . 1 1 38 38 GLU CB C 13 30.044 0.50 . 1 . . . . 38 GLU CB . 18341 1 306 . 1 1 38 38 GLU CG C 13 37.216 0.50 . 1 . . . . 38 GLU CG . 18341 1 307 . 1 1 38 38 GLU N N 15 117.027 0.20 . 1 . . . . 38 GLU N . 18341 1 308 . 1 1 39 39 ILE H H 1 7.255 0.03 . 1 . . . . 39 ILE HN . 18341 1 309 . 1 1 39 39 ILE HA H 1 4.446 0.03 . 1 . . . . 39 ILE HA . 18341 1 310 . 1 1 39 39 ILE HB H 1 1.550 0.03 . 1 . . . . 39 ILE HB . 18341 1 311 . 1 1 39 39 ILE HG12 H 1 0.984 0.03 . 1 . . . . 39 ILE HG12 . 18341 1 312 . 1 1 39 39 ILE HG13 H 1 1.431 0.03 . 1 . . . . 39 ILE HG13 . 18341 1 313 . 1 1 39 39 ILE HG21 H 1 0.585 0.03 . 1 . . . . 39 ILE HG21 . 18341 1 314 . 1 1 39 39 ILE HG22 H 1 0.585 0.03 . 1 . . . . 39 ILE HG21 . 18341 1 315 . 1 1 39 39 ILE HG23 H 1 0.585 0.03 . 1 . . . . 39 ILE HG21 . 18341 1 316 . 1 1 39 39 ILE HD11 H 1 0.219 0.03 . 1 . . . . 39 ILE HD11 . 18341 1 317 . 1 1 39 39 ILE HD12 H 1 0.219 0.03 . 1 . . . . 39 ILE HD11 . 18341 1 318 . 1 1 39 39 ILE HD13 H 1 0.219 0.03 . 1 . . . . 39 ILE HD11 . 18341 1 319 . 1 1 39 39 ILE C C 13 173.542 0.50 . 1 . . . . 39 ILE C . 18341 1 320 . 1 1 39 39 ILE CA C 13 58.797 0.50 . 1 . . . . 39 ILE CA . 18341 1 321 . 1 1 39 39 ILE CB C 13 41.574 0.50 . 1 . . . . 39 ILE CB . 18341 1 322 . 1 1 39 39 ILE CG1 C 13 27.243 0.50 . 1 . . . . 39 ILE CG1 . 18341 1 323 . 1 1 39 39 ILE CG2 C 13 16.000 0.50 . 1 . . . . 39 ILE CG2 . 18341 1 324 . 1 1 39 39 ILE CD1 C 13 14.277 0.50 . 1 . . . . 39 ILE CD1 . 18341 1 325 . 1 1 39 39 ILE N N 15 114.486 0.20 . 1 . . . . 39 ILE N . 18341 1 326 . 1 1 40 40 SER H H 1 8.018 0.03 . 1 . . . . 40 SER HN . 18341 1 327 . 1 1 40 40 SER HA H 1 4.325 0.03 . 1 . . . . 40 SER HA . 18341 1 328 . 1 1 40 40 SER HB2 H 1 4.282 0.03 . 2 . . . . 40 SER HB2 . 18341 1 329 . 1 1 40 40 SER HB3 H 1 4.039 0.03 . 2 . . . . 40 SER HB3 . 18341 1 330 . 1 1 40 40 SER C C 13 173.931 0.50 . 1 . . . . 40 SER C . 18341 1 331 . 1 1 40 40 SER CA C 13 58.139 0.50 . 1 . . . . 40 SER CA . 18341 1 332 . 1 1 40 40 SER CB C 13 64.650 0.50 . 1 . . . . 40 SER CB . 18341 1 333 . 1 1 40 40 SER N N 15 118.980 0.20 . 1 . . . . 40 SER N . 18341 1 334 . 1 1 41 41 GLU H H 1 8.858 0.03 . 1 . . . . 41 GLU HN . 18341 1 335 . 1 1 41 41 GLU HA H 1 3.976 0.03 . 1 . . . . 41 GLU HA . 18341 1 336 . 1 1 41 41 GLU HB2 H 1 2.057 0.03 . 2 . . . . 41 GLU HB2 . 18341 1 337 . 1 1 41 41 GLU HB3 H 1 2.049 0.03 . 2 . . . . 41 GLU HB3 . 18341 1 338 . 1 1 41 41 GLU HG2 H 1 2.363 0.03 . 2 . . . . 41 GLU HG2 . 18341 1 339 . 1 1 41 41 GLU HG3 H 1 2.363 0.03 . 2 . . . . 41 GLU HG3 . 18341 1 340 . 1 1 41 41 GLU C C 13 178.783 0.50 . 1 . . . . 41 GLU C . 18341 1 341 . 1 1 41 41 GLU CA C 13 60.459 0.50 . 1 . . . . 41 GLU CA . 18341 1 342 . 1 1 41 41 GLU CB C 13 28.694 0.50 . 1 . . . . 41 GLU CB . 18341 1 343 . 1 1 41 41 GLU CG C 13 36.673 0.50 . 1 . . . . 41 GLU CG . 18341 1 344 . 1 1 41 41 GLU N N 15 120.797 0.20 . 1 . . . . 41 GLU N . 18341 1 345 . 1 1 42 42 ASP H H 1 8.374 0.03 . 1 . . . . 42 ASP HN . 18341 1 346 . 1 1 42 42 ASP HA H 1 4.409 0.03 . 1 . . . . 42 ASP HA . 18341 1 347 . 1 1 42 42 ASP HB2 H 1 2.480 0.03 . 2 . . . . 42 ASP HB2 . 18341 1 348 . 1 1 42 42 ASP HB3 H 1 2.645 0.03 . 2 . . . . 42 ASP HB3 . 18341 1 349 . 1 1 42 42 ASP C C 13 179.090 0.50 . 1 . . . . 42 ASP C . 18341 1 350 . 1 1 42 42 ASP CA C 13 56.893 0.50 . 1 . . . . 42 ASP CA . 18341 1 351 . 1 1 42 42 ASP CB C 13 40.119 0.50 . 1 . . . . 42 ASP CB . 18341 1 352 . 1 1 42 42 ASP N N 15 117.437 0.20 . 1 . . . . 42 ASP N . 18341 1 353 . 1 1 43 43 GLY H H 1 8.024 0.03 . 1 . . . . 43 GLY HN . 18341 1 354 . 1 1 43 43 GLY HA2 H 1 3.503 0.03 . 2 . . . . 43 GLY HA2 . 18341 1 355 . 1 1 43 43 GLY HA3 H 1 3.637 0.03 . 2 . . . . 43 GLY HA3 . 18341 1 356 . 1 1 43 43 GLY C C 13 175.398 0.50 . 1 . . . . 43 GLY C . 18341 1 357 . 1 1 43 43 GLY CA C 13 47.318 0.50 . 1 . . . . 43 GLY CA . 18341 1 358 . 1 1 43 43 GLY N N 15 110.125 0.20 . 1 . . . . 43 GLY N . 18341 1 359 . 1 1 44 44 ALA H H 1 8.647 0.03 . 1 . . . . 44 ALA HN . 18341 1 360 . 1 1 44 44 ALA HA H 1 3.710 0.03 . 1 . . . . 44 ALA HA . 18341 1 361 . 1 1 44 44 ALA HB1 H 1 1.447 0.03 . 1 . . . . 44 ALA HB1 . 18341 1 362 . 1 1 44 44 ALA HB2 H 1 1.447 0.03 . 1 . . . . 44 ALA HB1 . 18341 1 363 . 1 1 44 44 ALA HB3 H 1 1.447 0.03 . 1 . . . . 44 ALA HB1 . 18341 1 364 . 1 1 44 44 ALA C C 13 179.464 0.50 . 1 . . . . 44 ALA C . 18341 1 365 . 1 1 44 44 ALA CA C 13 55.533 0.50 . 1 . . . . 44 ALA CA . 18341 1 366 . 1 1 44 44 ALA CB C 13 17.994 0.50 . 1 . . . . 44 ALA CB . 18341 1 367 . 1 1 44 44 ALA N N 15 124.794 0.20 . 1 . . . . 44 ALA N . 18341 1 368 . 1 1 45 45 ASP H H 1 7.835 0.03 . 1 . . . . 45 ASP HN . 18341 1 369 . 1 1 45 45 ASP HA H 1 4.446 0.03 . 1 . . . . 45 ASP HA . 18341 1 370 . 1 1 45 45 ASP HB2 H 1 2.744 0.03 . 2 . . . . 45 ASP HB2 . 18341 1 371 . 1 1 45 45 ASP HB3 H 1 2.911 0.03 . 2 . . . . 45 ASP HB3 . 18341 1 372 . 1 1 45 45 ASP C C 13 179.394 0.50 . 1 . . . . 45 ASP C . 18341 1 373 . 1 1 45 45 ASP CA C 13 57.800 0.50 . 1 . . . . 45 ASP CA . 18341 1 374 . 1 1 45 45 ASP CB C 13 40.209 0.50 . 1 . . . . 45 ASP CB . 18341 1 375 . 1 1 45 45 ASP N N 15 119.010 0.20 . 1 . . . . 45 ASP N . 18341 1 376 . 1 1 46 46 SER H H 1 7.680 0.03 . 1 . . . . 46 SER HN . 18341 1 377 . 1 1 46 46 SER HA H 1 4.203 0.03 . 1 . . . . 46 SER HA . 18341 1 378 . 1 1 46 46 SER HB2 H 1 3.882 0.03 . 2 . . . . 46 SER HB2 . 18341 1 379 . 1 1 46 46 SER HB3 H 1 3.960 0.03 . 2 . . . . 46 SER HB3 . 18341 1 380 . 1 1 46 46 SER C C 13 176.782 0.50 . 1 . . . . 46 SER C . 18341 1 381 . 1 1 46 46 SER CA C 13 62.968 0.50 . 1 . . . . 46 SER CA . 18341 1 382 . 1 1 46 46 SER CB C 13 62.968 0.50 . 1 . . . . 46 SER CB . 18341 1 383 . 1 1 46 46 SER N N 15 116.117 0.20 . 1 . . . . 46 SER N . 18341 1 384 . 1 1 47 47 LEU H H 1 8.448 0.03 . 1 . . . . 47 LEU HN . 18341 1 385 . 1 1 47 47 LEU HA H 1 3.818 0.03 . 1 . . . . 47 LEU HA . 18341 1 386 . 1 1 47 47 LEU HB2 H 1 1.051 0.03 . 2 . . . . 47 LEU HB2 . 18341 1 387 . 1 1 47 47 LEU HB3 H 1 1.620 0.03 . 2 . . . . 47 LEU HB3 . 18341 1 388 . 1 1 47 47 LEU HG H 1 1.443 0.03 . 1 . . . . 47 LEU HG . 18341 1 389 . 1 1 47 47 LEU HD11 H 1 0.420 0.03 . 2 . . . . 47 LEU HD11 . 18341 1 390 . 1 1 47 47 LEU HD12 H 1 0.420 0.03 . 2 . . . . 47 LEU HD11 . 18341 1 391 . 1 1 47 47 LEU HD13 H 1 0.420 0.03 . 2 . . . . 47 LEU HD11 . 18341 1 392 . 1 1 47 47 LEU HD21 H 1 0.135 0.03 . 2 . . . . 47 LEU HD21 . 18341 1 393 . 1 1 47 47 LEU HD22 H 1 0.135 0.03 . 2 . . . . 47 LEU HD21 . 18341 1 394 . 1 1 47 47 LEU HD23 H 1 0.135 0.03 . 2 . . . . 47 LEU HD21 . 18341 1 395 . 1 1 47 47 LEU C C 13 178.702 0.50 . 1 . . . . 47 LEU C . 18341 1 396 . 1 1 47 47 LEU CA C 13 56.918 0.50 . 1 . . . . 47 LEU CA . 18341 1 397 . 1 1 47 47 LEU CB C 13 41.116 0.50 . 1 . . . . 47 LEU CB . 18341 1 398 . 1 1 47 47 LEU CG C 13 25.792 0.50 . 1 . . . . 47 LEU CG . 18341 1 399 . 1 1 47 47 LEU CD1 C 13 24.976 0.50 . 1 . . . . 47 LEU CD1 . 18341 1 400 . 1 1 47 47 LEU CD2 C 13 22.256 0.50 . 1 . . . . 47 LEU CD2 . 18341 1 401 . 1 1 47 47 LEU N N 15 120.682 0.20 . 1 . . . . 47 LEU N . 18341 1 402 . 1 1 48 48 ASN H H 1 8.504 0.03 . 1 . . . . 48 ASN HN . 18341 1 403 . 1 1 48 48 ASN HA H 1 4.478 0.03 . 1 . . . . 48 ASN HA . 18341 1 404 . 1 1 48 48 ASN HB2 H 1 2.977 0.03 . 2 . . . . 48 ASN HB2 . 18341 1 405 . 1 1 48 48 ASN HB3 H 1 3.039 0.03 . 2 . . . . 48 ASN HB3 . 18341 1 406 . 1 1 48 48 ASN HD21 H 1 6.855 0.03 . 2 . . . . 48 ASN HD21 . 18341 1 407 . 1 1 48 48 ASN HD22 H 1 7.524 0.03 . 2 . . . . 48 ASN HD22 . 18341 1 408 . 1 1 48 48 ASN C C 13 177.438 0.50 . 1 . . . . 48 ASN C . 18341 1 409 . 1 1 48 48 ASN CA C 13 57.845 0.50 . 1 . . . . 48 ASN CA . 18341 1 410 . 1 1 48 48 ASN CB C 13 38.487 0.50 . 1 . . . . 48 ASN CB . 18341 1 411 . 1 1 48 48 ASN N N 15 121.048 0.20 . 1 . . . . 48 ASN N . 18341 1 412 . 1 1 48 48 ASN ND2 N 15 112.810 0.20 . 1 . . . . 48 ASN ND2 . 18341 1 413 . 1 1 49 49 VAL H H 1 7.436 0.03 . 1 . . . . 49 VAL HN . 18341 1 414 . 1 1 49 49 VAL HA H 1 3.843 0.03 . 1 . . . . 49 VAL HA . 18341 1 415 . 1 1 49 49 VAL HB H 1 2.410 0.03 . 1 . . . . 49 VAL HB . 18341 1 416 . 1 1 49 49 VAL HG11 H 1 1.062 0.03 . 2 . . . . 49 VAL HG11 . 18341 1 417 . 1 1 49 49 VAL HG12 H 1 1.062 0.03 . 2 . . . . 49 VAL HG11 . 18341 1 418 . 1 1 49 49 VAL HG13 H 1 1.062 0.03 . 2 . . . . 49 VAL HG11 . 18341 1 419 . 1 1 49 49 VAL HG21 H 1 0.910 0.03 . 2 . . . . 49 VAL HG21 . 18341 1 420 . 1 1 49 49 VAL HG22 H 1 0.910 0.03 . 2 . . . . 49 VAL HG21 . 18341 1 421 . 1 1 49 49 VAL HG23 H 1 0.910 0.03 . 2 . . . . 49 VAL HG21 . 18341 1 422 . 1 1 49 49 VAL C C 13 179.526 0.50 . 1 . . . . 49 VAL C . 18341 1 423 . 1 1 49 49 VAL CA C 13 66.505 0.50 . 1 . . . . 49 VAL CA . 18341 1 424 . 1 1 49 49 VAL CB C 13 31.414 0.50 . 1 . . . . 49 VAL CB . 18341 1 425 . 1 1 49 49 VAL CG1 C 13 22.437 0.50 . 1 . . . . 49 VAL CG1 . 18341 1 426 . 1 1 49 49 VAL CG2 C 13 22.417 0.50 . 1 . . . . 49 VAL CG2 . 18341 1 427 . 1 1 49 49 VAL N N 15 119.543 0.20 . 1 . . . . 49 VAL N . 18341 1 428 . 1 1 50 50 ALA H H 1 8.299 0.03 . 1 . . . . 50 ALA HN . 18341 1 429 . 1 1 50 50 ALA HA H 1 3.827 0.03 . 1 . . . . 50 ALA HA . 18341 1 430 . 1 1 50 50 ALA HB1 H 1 1.486 0.03 . 1 . . . . 50 ALA HB1 . 18341 1 431 . 1 1 50 50 ALA HB2 H 1 1.486 0.03 . 1 . . . . 50 ALA HB1 . 18341 1 432 . 1 1 50 50 ALA HB3 H 1 1.486 0.03 . 1 . . . . 50 ALA HB1 . 18341 1 433 . 1 1 50 50 ALA C C 13 179.533 0.50 . 1 . . . . 50 ALA C . 18341 1 434 . 1 1 50 50 ALA CA C 13 55.896 0.50 . 1 . . . . 50 ALA CA . 18341 1 435 . 1 1 50 50 ALA CB C 13 17.994 0.50 . 1 . . . . 50 ALA CB . 18341 1 436 . 1 1 50 50 ALA N N 15 120.119 0.20 . 1 . . . . 50 ALA N . 18341 1 437 . 1 1 51 51 MET H H 1 8.926 0.03 . 1 . . . . 51 MET HN . 18341 1 438 . 1 1 51 51 MET HA H 1 3.970 0.03 . 1 . . . . 51 MET HA . 18341 1 439 . 1 1 51 51 MET HB2 H 1 1.924 0.03 . 2 . . . . 51 MET HB2 . 18341 1 440 . 1 1 51 51 MET HB3 H 1 2.644 0.03 . 2 . . . . 51 MET HB3 . 18341 1 441 . 1 1 51 51 MET HG2 H 1 2.558 0.03 . 2 . . . . 51 MET HG2 . 18341 1 442 . 1 1 51 51 MET HG3 H 1 3.135 0.03 . 2 . . . . 51 MET HG3 . 18341 1 443 . 1 1 51 51 MET HE1 H 1 2.050 0.03 . 1 . . . . 51 MET HE1 . 18341 1 444 . 1 1 51 51 MET HE2 H 1 2.050 0.03 . 1 . . . . 51 MET HE1 . 18341 1 445 . 1 1 51 51 MET HE3 H 1 2.050 0.03 . 1 . . . . 51 MET HE1 . 18341 1 446 . 1 1 51 51 MET C C 13 178.770 0.50 . 1 . . . . 51 MET C . 18341 1 447 . 1 1 51 51 MET CA C 13 61.458 0.50 . 1 . . . . 51 MET CA . 18341 1 448 . 1 1 51 51 MET CB C 13 35.035 0.50 . 1 . . . . 51 MET CB . 18341 1 449 . 1 1 51 51 MET CG C 13 34.400 0.50 . 1 . . . . 51 MET CG . 18341 1 450 . 1 1 51 51 MET CE C 13 17.960 0.50 . 1 . . . . 51 MET CE . 18341 1 451 . 1 1 51 51 MET N N 15 115.417 0.20 . 1 . . . . 51 MET N . 18341 1 452 . 1 1 52 52 ASP H H 1 8.029 0.03 . 1 . . . . 52 ASP HN . 18341 1 453 . 1 1 52 52 ASP HA H 1 4.531 0.03 . 1 . . . . 52 ASP HA . 18341 1 454 . 1 1 52 52 ASP HB2 H 1 2.759 0.03 . 2 . . . . 52 ASP HB2 . 18341 1 455 . 1 1 52 52 ASP HB3 H 1 3.044 0.03 . 2 . . . . 52 ASP HB3 . 18341 1 456 . 1 1 52 52 ASP C C 13 178.846 0.50 . 1 . . . . 52 ASP C . 18341 1 457 . 1 1 52 52 ASP CA C 13 58.253 0.50 . 1 . . . . 52 ASP CA . 18341 1 458 . 1 1 52 52 ASP CB C 13 39.849 0.50 . 1 . . . . 52 ASP CB . 18341 1 459 . 1 1 52 52 ASP N N 15 122.950 0.20 . 1 . . . . 52 ASP N . 18341 1 460 . 1 1 53 53 CYS H H 1 8.418 0.03 . 1 . . . . 53 CYS HN . 18341 1 461 . 1 1 53 53 CYS HA H 1 4.108 0.03 . 1 . . . . 53 CYS HA . 18341 1 462 . 1 1 53 53 CYS HB2 H 1 2.941 0.03 . 2 . . . . 53 CYS HB2 . 18341 1 463 . 1 1 53 53 CYS HB3 H 1 3.050 0.03 . 2 . . . . 53 CYS HB3 . 18341 1 464 . 1 1 53 53 CYS C C 13 177.098 0.50 . 1 . . . . 53 CYS C . 18341 1 465 . 1 1 53 53 CYS CA C 13 64.238 0.50 . 1 . . . . 53 CYS CA . 18341 1 466 . 1 1 53 53 CYS CB C 13 27.606 0.50 . 1 . . . . 53 CYS CB . 18341 1 467 . 1 1 53 53 CYS N N 15 119.050 0.20 . 1 . . . . 53 CYS N . 18341 1 468 . 1 1 54 54 ILE H H 1 8.765 0.03 . 1 . . . . 54 ILE HN . 18341 1 469 . 1 1 54 54 ILE HA H 1 3.263 0.03 . 1 . . . . 54 ILE HA . 18341 1 470 . 1 1 54 54 ILE HB H 1 1.744 0.03 . 1 . . . . 54 ILE HB . 18341 1 471 . 1 1 54 54 ILE HG12 H 1 0.600 0.03 . 1 . . . . 54 ILE HG12 . 18341 1 472 . 1 1 54 54 ILE HG13 H 1 1.880 0.03 . 1 . . . . 54 ILE HG13 . 18341 1 473 . 1 1 54 54 ILE HG21 H 1 1.068 0.03 . 1 . . . . 54 ILE HG21 . 18341 1 474 . 1 1 54 54 ILE HG22 H 1 1.068 0.03 . 1 . . . . 54 ILE HG21 . 18341 1 475 . 1 1 54 54 ILE HG23 H 1 1.068 0.03 . 1 . . . . 54 ILE HG21 . 18341 1 476 . 1 1 54 54 ILE HD11 H 1 1.127 0.03 . 1 . . . . 54 ILE HD11 . 18341 1 477 . 1 1 54 54 ILE HD12 H 1 1.127 0.03 . 1 . . . . 54 ILE HD11 . 18341 1 478 . 1 1 54 54 ILE HD13 H 1 1.127 0.03 . 1 . . . . 54 ILE HD11 . 18341 1 479 . 1 1 54 54 ILE C C 13 176.626 0.50 . 1 . . . . 54 ILE C . 18341 1 480 . 1 1 54 54 ILE CA C 13 65.952 0.50 . 1 . . . . 54 ILE CA . 18341 1 481 . 1 1 54 54 ILE CB C 13 38.993 0.50 . 1 . . . . 54 ILE CB . 18341 1 482 . 1 1 54 54 ILE CG1 C 13 28.966 0.50 . 1 . . . . 54 ILE CG1 . 18341 1 483 . 1 1 54 54 ILE CG2 C 13 18.876 0.50 . 1 . . . . 54 ILE CG2 . 18341 1 484 . 1 1 54 54 ILE CD1 C 13 14.881 0.50 . 1 . . . . 54 ILE CD1 . 18341 1 485 . 1 1 54 54 ILE N N 15 119.918 0.20 . 1 . . . . 54 ILE N . 18341 1 486 . 1 1 55 55 SER H H 1 7.573 0.03 . 1 . . . . 55 SER HN . 18341 1 487 . 1 1 55 55 SER HA H 1 3.888 0.03 . 1 . . . . 55 SER HA . 18341 1 488 . 1 1 55 55 SER HB2 H 1 2.958 0.03 . 2 . . . . 55 SER HB2 . 18341 1 489 . 1 1 55 55 SER HB3 H 1 3.744 0.03 . 2 . . . . 55 SER HB3 . 18341 1 490 . 1 1 55 55 SER C C 13 175.519 0.50 . 1 . . . . 55 SER C . 18341 1 491 . 1 1 55 55 SER CA C 13 62.275 0.50 . 1 . . . . 55 SER CA . 18341 1 492 . 1 1 55 55 SER CB C 13 62.275 0.50 . 1 . . . . 55 SER CB . 18341 1 493 . 1 1 55 55 SER N N 15 114.650 0.20 . 1 . . . . 55 SER N . 18341 1 494 . 1 1 56 56 GLU H H 1 7.709 0.03 . 1 . . . . 56 GLU HN . 18341 1 495 . 1 1 56 56 GLU HA H 1 3.909 0.03 . 1 . . . . 56 GLU HA . 18341 1 496 . 1 1 56 56 GLU HB2 H 1 1.971 0.03 . 2 . . . . 56 GLU HB2 . 18341 1 497 . 1 1 56 56 GLU HB3 H 1 2.065 0.03 . 2 . . . . 56 GLU HB3 . 18341 1 498 . 1 1 56 56 GLU HG2 H 1 2.269 0.03 . 2 . . . . 56 GLU HG2 . 18341 1 499 . 1 1 56 56 GLU HG3 H 1 2.269 0.03 . 2 . . . . 56 GLU HG3 . 18341 1 500 . 1 1 56 56 GLU C C 13 179.791 0.50 . 1 . . . . 56 GLU C . 18341 1 501 . 1 1 56 56 GLU CA C 13 59.097 0.50 . 1 . . . . 56 GLU CA . 18341 1 502 . 1 1 56 56 GLU CB C 13 29.238 0.50 . 1 . . . . 56 GLU CB . 18341 1 503 . 1 1 56 56 GLU CG C 13 35.948 0.50 . 1 . . . . 56 GLU CG . 18341 1 504 . 1 1 56 56 GLU N N 15 119.792 0.20 . 1 . . . . 56 GLU N . 18341 1 505 . 1 1 57 57 ALA H H 1 8.110 0.03 . 1 . . . . 57 ALA HN . 18341 1 506 . 1 1 57 57 ALA HA H 1 3.808 0.03 . 1 . . . . 57 ALA HA . 18341 1 507 . 1 1 57 57 ALA HB1 H 1 1.027 0.03 . 1 . . . . 57 ALA HB1 . 18341 1 508 . 1 1 57 57 ALA HB2 H 1 1.027 0.03 . 1 . . . . 57 ALA HB1 . 18341 1 509 . 1 1 57 57 ALA HB3 H 1 1.027 0.03 . 1 . . . . 57 ALA HB1 . 18341 1 510 . 1 1 57 57 ALA C C 13 178.258 0.50 . 1 . . . . 57 ALA C . 18341 1 511 . 1 1 57 57 ALA CA C 13 54.557 0.50 . 1 . . . . 57 ALA CA . 18341 1 512 . 1 1 57 57 ALA CB C 13 18.604 0.50 . 1 . . . . 57 ALA CB . 18341 1 513 . 1 1 57 57 ALA N N 15 120.881 0.20 . 1 . . . . 57 ALA N . 18341 1 514 . 1 1 58 58 PHE H H 1 7.380 0.03 . 1 . . . . 58 PHE HN . 18341 1 515 . 1 1 58 58 PHE HA H 1 4.472 0.03 . 1 . . . . 58 PHE HA . 18341 1 516 . 1 1 58 58 PHE HB2 H 1 2.669 0.03 . 2 . . . . 58 PHE HB2 . 18341 1 517 . 1 1 58 58 PHE HB3 H 1 3.480 0.03 . 2 . . . . 58 PHE HB3 . 18341 1 518 . 1 1 58 58 PHE HD1 H 1 7.640 0.03 . 3 . . . . 58 PHE HD1 . 18341 1 519 . 1 1 58 58 PHE HD2 H 1 7.640 0.03 . 3 . . . . 58 PHE HD2 . 18341 1 520 . 1 1 58 58 PHE HE1 H 1 7.160 0.03 . 3 . . . . 58 PHE HE1 . 18341 1 521 . 1 1 58 58 PHE HE2 H 1 7.160 0.03 . 3 . . . . 58 PHE HE2 . 18341 1 522 . 1 1 58 58 PHE C C 13 175.658 0.50 . 1 . . . . 58 PHE C . 18341 1 523 . 1 1 58 58 PHE CA C 13 58.707 0.50 . 1 . . . . 58 PHE CA . 18341 1 524 . 1 1 58 58 PHE CB C 13 40.119 0.50 . 1 . . . . 58 PHE CB . 18341 1 525 . 1 1 58 58 PHE CD1 C 13 132.800 0.50 . 3 . . . . 58 PHE CD1 . 18341 1 526 . 1 1 58 58 PHE CD2 C 13 132.800 0.50 . 3 . . . . 58 PHE CD2 . 18341 1 527 . 1 1 58 58 PHE CE1 C 13 130.600 0.50 . 3 . . . . 58 PHE CE1 . 18341 1 528 . 1 1 58 58 PHE CE2 C 13 130.600 0.50 . 3 . . . . 58 PHE CE2 . 18341 1 529 . 1 1 58 58 PHE N N 15 109.815 0.20 . 1 . . . . 58 PHE N . 18341 1 530 . 1 1 59 59 GLY H H 1 7.688 0.03 . 1 . . . . 59 GLY HN . 18341 1 531 . 1 1 59 59 GLY HA2 H 1 3.874 0.03 . 2 . . . . 59 GLY HA2 . 18341 1 532 . 1 1 59 59 GLY HA3 H 1 4.039 0.03 . 2 . . . . 59 GLY HA3 . 18341 1 533 . 1 1 59 59 GLY C C 13 174.015 0.50 . 1 . . . . 59 GLY C . 18341 1 534 . 1 1 59 59 GLY CA C 13 47.035 0.50 . 1 . . . . 59 GLY CA . 18341 1 535 . 1 1 59 59 GLY N N 15 108.620 0.20 . 1 . . . . 59 GLY N . 18341 1 536 . 1 1 60 60 PHE H H 1 7.880 0.03 . 1 . . . . 60 PHE HN . 18341 1 537 . 1 1 60 60 PHE HA H 1 5.200 0.03 . 1 . . . . 60 PHE HA . 18341 1 538 . 1 1 60 60 PHE HB2 H 1 2.981 0.03 . 2 . . . . 60 PHE HB2 . 18341 1 539 . 1 1 60 60 PHE HB3 H 1 3.130 0.03 . 2 . . . . 60 PHE HB3 . 18341 1 540 . 1 1 60 60 PHE HD1 H 1 7.079 0.03 . 3 . . . . 60 PHE HD1 . 18341 1 541 . 1 1 60 60 PHE HD2 H 1 7.079 0.03 . 3 . . . . 60 PHE HD2 . 18341 1 542 . 1 1 60 60 PHE HE1 H 1 7.120 0.03 . 3 . . . . 60 PHE HE1 . 18341 1 543 . 1 1 60 60 PHE HE2 H 1 7.120 0.03 . 3 . . . . 60 PHE HE2 . 18341 1 544 . 1 1 60 60 PHE HZ H 1 6.720 0.03 . 1 . . . . 60 PHE HZ . 18341 1 545 . 1 1 60 60 PHE C C 13 173.915 0.50 . 1 . . . . 60 PHE C . 18341 1 546 . 1 1 60 60 PHE CA C 13 54.285 0.50 . 1 . . . . 60 PHE CA . 18341 1 547 . 1 1 60 60 PHE CB C 13 41.574 0.50 . 1 . . . . 60 PHE CB . 18341 1 548 . 1 1 60 60 PHE CD1 C 13 133.340 0.50 . 3 . . . . 60 PHE CD1 . 18341 1 549 . 1 1 60 60 PHE CD2 C 13 133.340 0.50 . 3 . . . . 60 PHE CD2 . 18341 1 550 . 1 1 60 60 PHE CE1 C 13 131.200 0.50 . 3 . . . . 60 PHE CE1 . 18341 1 551 . 1 1 60 60 PHE CE2 C 13 131.200 0.50 . 3 . . . . 60 PHE CE2 . 18341 1 552 . 1 1 60 60 PHE CZ C 13 126.800 0.50 . 1 . . . . 60 PHE CZ . 18341 1 553 . 1 1 60 60 PHE N N 15 115.720 0.20 . 1 . . . . 60 PHE N . 18341 1 554 . 1 1 61 61 GLU H H 1 8.329 0.03 . 1 . . . . 61 GLU HN . 18341 1 555 . 1 1 61 61 GLU HA H 1 4.591 0.03 . 1 . . . . 61 GLU HA . 18341 1 556 . 1 1 61 61 GLU HB2 H 1 1.959 0.03 . 2 . . . . 61 GLU HB2 . 18341 1 557 . 1 1 61 61 GLU HB3 H 1 2.359 0.03 . 2 . . . . 61 GLU HB3 . 18341 1 558 . 1 1 61 61 GLU HG2 H 1 2.350 0.03 . 2 . . . . 61 GLU HG2 . 18341 1 559 . 1 1 61 61 GLU HG3 H 1 2.380 0.03 . 2 . . . . 61 GLU HG3 . 18341 1 560 . 1 1 61 61 GLU C C 13 178.459 0.50 . 1 . . . . 61 GLU C . 18341 1 561 . 1 1 61 61 GLU CA C 13 55.011 0.50 . 1 . . . . 61 GLU CA . 18341 1 562 . 1 1 61 61 GLU CB C 13 30.679 0.50 . 1 . . . . 61 GLU CB . 18341 1 563 . 1 1 61 61 GLU CG C 13 36.399 0.50 . 1 . . . . 61 GLU CG . 18341 1 564 . 1 1 61 61 GLU N N 15 118.247 0.20 . 1 . . . . 61 GLU N . 18341 1 565 . 1 1 62 62 ARG H H 1 9.337 0.03 . 1 . . . . 62 ARG HN . 18341 1 566 . 1 1 62 62 ARG HA H 1 4.090 0.03 . 1 . . . . 62 ARG HA . 18341 1 567 . 1 1 62 62 ARG HB2 H 1 2.010 0.03 . 2 . . . . 62 ARG HB2 . 18341 1 568 . 1 1 62 62 ARG HB3 H 1 2.006 0.03 . 2 . . . . 62 ARG HB3 . 18341 1 569 . 1 1 62 62 ARG HG2 H 1 1.689 0.03 . 2 . . . . 62 ARG HG2 . 18341 1 570 . 1 1 62 62 ARG HG3 H 1 1.869 0.03 . 2 . . . . 62 ARG HG3 . 18341 1 571 . 1 1 62 62 ARG HD2 H 1 3.210 0.03 . 2 . . . . 62 ARG HD2 . 18341 1 572 . 1 1 62 62 ARG HD3 H 1 3.230 0.03 . 2 . . . . 62 ARG HD3 . 18341 1 573 . 1 1 62 62 ARG HE H 1 7.406 0.03 . 1 . . . . 62 ARG HE . 18341 1 574 . 1 1 62 62 ARG C C 13 179.388 0.50 . 1 . . . . 62 ARG C . 18341 1 575 . 1 1 62 62 ARG CA C 13 59.976 0.50 . 1 . . . . 62 ARG CA . 18341 1 576 . 1 1 62 62 ARG CB C 13 30.145 0.50 . 1 . . . . 62 ARG CB . 18341 1 577 . 1 1 62 62 ARG CG C 13 27.320 0.50 . 1 . . . . 62 ARG CG . 18341 1 578 . 1 1 62 62 ARG CD C 13 44.108 0.50 . 1 . . . . 62 ARG CD . 18341 1 579 . 1 1 62 62 ARG N N 15 124.846 0.20 . 1 . . . . 62 ARG N . 18341 1 580 . 1 1 62 62 ARG NE N 15 83.050 0.20 . 1 . . . . 62 ARG NE . 18341 1 581 . 1 1 63 63 GLU H H 1 9.007 0.03 . 1 . . . . 63 GLU HN . 18341 1 582 . 1 1 63 63 GLU HA H 1 4.238 0.03 . 1 . . . . 63 GLU HA . 18341 1 583 . 1 1 63 63 GLU HB2 H 1 2.087 0.03 . 2 . . . . 63 GLU HB2 . 18341 1 584 . 1 1 63 63 GLU HB3 H 1 2.130 0.03 . 2 . . . . 63 GLU HB3 . 18341 1 585 . 1 1 63 63 GLU HG2 H 1 2.330 0.03 . 2 . . . . 63 GLU HG2 . 18341 1 586 . 1 1 63 63 GLU HG3 H 1 2.400 0.03 . 2 . . . . 63 GLU HG3 . 18341 1 587 . 1 1 63 63 GLU C C 13 176.968 0.50 . 1 . . . . 63 GLU C . 18341 1 588 . 1 1 63 63 GLU CA C 13 58.552 0.50 . 1 . . . . 63 GLU CA . 18341 1 589 . 1 1 63 63 GLU CB C 13 28.694 0.50 . 1 . . . . 63 GLU CB . 18341 1 590 . 1 1 63 63 GLU CG C 13 36.581 0.50 . 1 . . . . 63 GLU CG . 18341 1 591 . 1 1 63 63 GLU N N 15 115.682 0.20 . 1 . . . . 63 GLU N . 18341 1 592 . 1 1 64 64 ALA H H 1 8.142 0.03 . 1 . . . . 64 ALA HN . 18341 1 593 . 1 1 64 64 ALA HA H 1 4.532 0.03 . 1 . . . . 64 ALA HA . 18341 1 594 . 1 1 64 64 ALA HB1 H 1 1.679 0.03 . 1 . . . . 64 ALA HB1 . 18341 1 595 . 1 1 64 64 ALA HB2 H 1 1.679 0.03 . 1 . . . . 64 ALA HB1 . 18341 1 596 . 1 1 64 64 ALA HB3 H 1 1.679 0.03 . 1 . . . . 64 ALA HB1 . 18341 1 597 . 1 1 64 64 ALA C C 13 178.567 0.50 . 1 . . . . 64 ALA C . 18341 1 598 . 1 1 64 64 ALA CA C 13 52.450 0.50 . 1 . . . . 64 ALA CA . 18341 1 599 . 1 1 64 64 ALA CB C 13 19.898 0.50 . 1 . . . . 64 ALA CB . 18341 1 600 . 1 1 64 64 ALA N N 15 121.211 0.20 . 1 . . . . 64 ALA N . 18341 1 601 . 1 1 65 65 VAL H H 1 7.350 0.03 . 1 . . . . 65 VAL HN . 18341 1 602 . 1 1 65 65 VAL HA H 1 3.258 0.03 . 1 . . . . 65 VAL HA . 18341 1 603 . 1 1 65 65 VAL HB H 1 2.191 0.03 . 1 . . . . 65 VAL HB . 18341 1 604 . 1 1 65 65 VAL HG11 H 1 1.238 0.03 . 2 . . . . 65 VAL HG11 . 18341 1 605 . 1 1 65 65 VAL HG12 H 1 1.238 0.03 . 2 . . . . 65 VAL HG11 . 18341 1 606 . 1 1 65 65 VAL HG13 H 1 1.238 0.03 . 2 . . . . 65 VAL HG11 . 18341 1 607 . 1 1 65 65 VAL HG21 H 1 0.950 0.03 . 2 . . . . 65 VAL HG21 . 18341 1 608 . 1 1 65 65 VAL HG22 H 1 0.950 0.03 . 2 . . . . 65 VAL HG21 . 18341 1 609 . 1 1 65 65 VAL HG23 H 1 0.950 0.03 . 2 . . . . 65 VAL HG21 . 18341 1 610 . 1 1 65 65 VAL C C 13 176.885 0.50 . 1 . . . . 65 VAL C . 18341 1 611 . 1 1 65 65 VAL CA C 13 67.502 0.50 . 1 . . . . 65 VAL CA . 18341 1 612 . 1 1 65 65 VAL CB C 13 31.867 0.50 . 1 . . . . 65 VAL CB . 18341 1 613 . 1 1 65 65 VAL CG1 C 13 24.341 0.50 . 1 . . . . 65 VAL CG1 . 18341 1 614 . 1 1 65 65 VAL CG2 C 13 21.984 0.50 . 1 . . . . 65 VAL CG2 . 18341 1 615 . 1 1 65 65 VAL N N 15 118.243 0.20 . 1 . . . . 65 VAL N . 18341 1 616 . 1 1 66 66 SER H H 1 8.605 0.03 . 1 . . . . 66 SER HN . 18341 1 617 . 1 1 66 66 SER HA H 1 3.941 0.03 . 1 . . . . 66 SER HA . 18341 1 618 . 1 1 66 66 SER HB2 H 1 3.919 0.03 . 2 . . . . 66 SER HB2 . 18341 1 619 . 1 1 66 66 SER HB3 H 1 3.919 0.03 . 2 . . . . 66 SER HB3 . 18341 1 620 . 1 1 66 66 SER C C 13 177.905 0.50 . 1 . . . . 66 SER C . 18341 1 621 . 1 1 66 66 SER CA C 13 62.062 0.50 . 1 . . . . 66 SER CA . 18341 1 622 . 1 1 66 66 SER CB C 13 62.062 0.50 . 1 . . . . 66 SER CB . 18341 1 623 . 1 1 66 66 SER N N 15 114.039 0.20 . 1 . . . . 66 SER N . 18341 1 624 . 1 1 67 67 GLY H H 1 8.205 0.03 . 1 . . . . 67 GLY HN . 18341 1 625 . 1 1 67 67 GLY HA2 H 1 3.896 0.03 . 2 . . . . 67 GLY HA2 . 18341 1 626 . 1 1 67 67 GLY HA3 H 1 3.896 0.03 . 2 . . . . 67 GLY HA3 . 18341 1 627 . 1 1 67 67 GLY C C 13 176.533 0.50 . 1 . . . . 67 GLY C . 18341 1 628 . 1 1 67 67 GLY CA C 13 46.489 0.50 . 1 . . . . 67 GLY CA . 18341 1 629 . 1 1 67 67 GLY N N 15 111.840 0.20 . 1 . . . . 67 GLY N . 18341 1 630 . 1 1 68 68 ILE H H 1 7.823 0.03 . 1 . . . . 68 ILE HN . 18341 1 631 . 1 1 68 68 ILE HA H 1 3.557 0.03 . 1 . . . . 68 ILE HA . 18341 1 632 . 1 1 68 68 ILE HB H 1 1.532 0.03 . 1 . . . . 68 ILE HB . 18341 1 633 . 1 1 68 68 ILE HG12 H 1 1.530 0.03 . 1 . . . . 68 ILE HG12 . 18341 1 634 . 1 1 68 68 ILE HG13 H 1 0.835 0.03 . 1 . . . . 68 ILE HG13 . 18341 1 635 . 1 1 68 68 ILE HG21 H 1 0.593 0.03 . 1 . . . . 68 ILE HG21 . 18341 1 636 . 1 1 68 68 ILE HG22 H 1 0.593 0.03 . 1 . . . . 68 ILE HG21 . 18341 1 637 . 1 1 68 68 ILE HG23 H 1 0.593 0.03 . 1 . . . . 68 ILE HG21 . 18341 1 638 . 1 1 68 68 ILE HD11 H 1 0.209 0.03 . 1 . . . . 68 ILE HD11 . 18341 1 639 . 1 1 68 68 ILE HD12 H 1 0.209 0.03 . 1 . . . . 68 ILE HD11 . 18341 1 640 . 1 1 68 68 ILE HD13 H 1 0.209 0.03 . 1 . . . . 68 ILE HD11 . 18341 1 641 . 1 1 68 68 ILE C C 13 179.532 0.50 . 1 . . . . 68 ILE C . 18341 1 642 . 1 1 68 68 ILE CA C 13 64.998 0.50 . 1 . . . . 68 ILE CA . 18341 1 643 . 1 1 68 68 ILE CB C 13 38.668 0.50 . 1 . . . . 68 ILE CB . 18341 1 644 . 1 1 68 68 ILE CG1 C 13 28.512 0.50 . 1 . . . . 68 ILE CG1 . 18341 1 645 . 1 1 68 68 ILE CG2 C 13 17.178 0.50 . 1 . . . . 68 ILE CG2 . 18341 1 646 . 1 1 68 68 ILE CD1 C 13 13.370 0.50 . 1 . . . . 68 ILE CD1 . 18341 1 647 . 1 1 68 68 ILE N N 15 122.817 0.20 . 1 . . . . 68 ILE N . 18341 1 648 . 1 1 69 69 LEU H H 1 8.314 0.03 . 1 . . . . 69 LEU HN . 18341 1 649 . 1 1 69 69 LEU HA H 1 4.067 0.03 . 1 . . . . 69 LEU HA . 18341 1 650 . 1 1 69 69 LEU HB2 H 1 1.398 0.03 . 2 . . . . 69 LEU HB2 . 18341 1 651 . 1 1 69 69 LEU HB3 H 1 1.774 0.03 . 2 . . . . 69 LEU HB3 . 18341 1 652 . 1 1 69 69 LEU HG H 1 1.638 0.03 . 1 . . . . 69 LEU HG . 18341 1 653 . 1 1 69 69 LEU HD11 H 1 0.747 0.03 . 2 . . . . 69 LEU HD11 . 18341 1 654 . 1 1 69 69 LEU HD12 H 1 0.747 0.03 . 2 . . . . 69 LEU HD11 . 18341 1 655 . 1 1 69 69 LEU HD13 H 1 0.747 0.03 . 2 . . . . 69 LEU HD11 . 18341 1 656 . 1 1 69 69 LEU HD21 H 1 0.812 0.03 . 2 . . . . 69 LEU HD21 . 18341 1 657 . 1 1 69 69 LEU HD22 H 1 0.812 0.03 . 2 . . . . 69 LEU HD21 . 18341 1 658 . 1 1 69 69 LEU HD23 H 1 0.812 0.03 . 2 . . . . 69 LEU HD21 . 18341 1 659 . 1 1 69 69 LEU CA C 13 56.893 0.50 . 1 . . . . 69 LEU CA . 18341 1 660 . 1 1 69 69 LEU CB C 13 41.211 0.50 . 1 . . . . 69 LEU CB . 18341 1 661 . 1 1 69 69 LEU CG C 13 26.608 0.50 . 1 . . . . 69 LEU CG . 18341 1 662 . 1 1 69 69 LEU CD1 C 13 25.050 0.50 . 1 . . . . 69 LEU CD1 . 18341 1 663 . 1 1 69 69 LEU CD2 C 13 22.780 0.50 . 1 . . . . 69 LEU CD2 . 18341 1 664 . 1 1 69 69 LEU N N 15 117.496 0.20 . 1 . . . . 69 LEU N . 18341 1 665 . 1 1 70 70 GLY H H 1 8.298 0.03 . 1 . . . . 70 GLY HN . 18341 1 666 . 1 1 70 70 GLY HA2 H 1 3.851 0.03 . 2 . . . . 70 GLY HA2 . 18341 1 667 . 1 1 70 70 GLY HA3 H 1 3.995 0.03 . 2 . . . . 70 GLY HA3 . 18341 1 668 . 1 1 70 70 GLY C C 13 177.458 0.50 . 1 . . . . 70 GLY C . 18341 1 669 . 1 1 70 70 GLY CA C 13 46.738 0.50 . 1 . . . . 70 GLY CA . 18341 1 670 . 1 1 70 70 GLY N N 15 107.145 0.20 . 1 . . . . 70 GLY N . 18341 1 671 . 1 1 71 71 LYS H H 1 6.941 0.03 . 1 . . . . 71 LYS HN . 18341 1 672 . 1 1 71 71 LYS HA H 1 4.560 0.03 . 1 . . . . 71 LYS HA . 18341 1 673 . 1 1 71 71 LYS HB2 H 1 1.818 0.03 . 2 . . . . 71 LYS HB2 . 18341 1 674 . 1 1 71 71 LYS HB3 H 1 1.979 0.03 . 2 . . . . 71 LYS HB3 . 18341 1 675 . 1 1 71 71 LYS HG2 H 1 1.532 0.03 . 2 . . . . 71 LYS HG2 . 18341 1 676 . 1 1 71 71 LYS HG3 H 1 1.489 0.03 . 2 . . . . 71 LYS HG3 . 18341 1 677 . 1 1 71 71 LYS HD2 H 1 1.650 0.03 . 2 . . . . 71 LYS HD2 . 18341 1 678 . 1 1 71 71 LYS HD3 H 1 1.650 0.03 . 2 . . . . 71 LYS HD3 . 18341 1 679 . 1 1 71 71 LYS HE2 H 1 2.956 0.03 . 2 . . . . 71 LYS HE2 . 18341 1 680 . 1 1 71 71 LYS HE3 H 1 2.956 0.03 . 2 . . . . 71 LYS HE3 . 18341 1 681 . 1 1 71 71 LYS C C 13 175.467 0.50 . 1 . . . . 71 LYS C . 18341 1 682 . 1 1 71 71 LYS CA C 13 55.374 0.50 . 1 . . . . 71 LYS CA . 18341 1 683 . 1 1 71 71 LYS CB C 13 32.858 0.50 . 1 . . . . 71 LYS CB . 18341 1 684 . 1 1 71 71 LYS CG C 13 24.414 0.50 . 1 . . . . 71 LYS CG . 18341 1 685 . 1 1 71 71 LYS CD C 13 29.136 0.50 . 1 . . . . 71 LYS CD . 18341 1 686 . 1 1 71 71 LYS CE C 13 42.006 0.50 . 1 . . . . 71 LYS CE . 18341 1 687 . 1 1 71 71 LYS N N 15 116.935 0.20 . 1 . . . . 71 LYS N . 18341 1 688 . 1 1 72 72 SER H H 1 7.554 0.03 . 1 . . . . 72 SER HN . 18341 1 689 . 1 1 72 72 SER HA H 1 4.767 0.03 . 1 . . . . 72 SER HA . 18341 1 690 . 1 1 72 72 SER HB2 H 1 3.915 0.03 . 2 . . . . 72 SER HB2 . 18341 1 691 . 1 1 72 72 SER HB3 H 1 4.101 0.03 . 2 . . . . 72 SER HB3 . 18341 1 692 . 1 1 72 72 SER C C 13 175.727 0.50 . 1 . . . . 72 SER C . 18341 1 693 . 1 1 72 72 SER CA C 13 57.735 0.50 . 1 . . . . 72 SER CA . 18341 1 694 . 1 1 72 72 SER CB C 13 67.813 0.50 . 1 . . . . 72 SER CB . 18341 1 695 . 1 1 72 72 SER N N 15 116.478 0.20 . 1 . . . . 72 SER N . 18341 1 696 . 1 1 73 73 GLU H H 1 9.126 0.03 . 1 . . . . 73 GLU HN . 18341 1 697 . 1 1 73 73 GLU HA H 1 4.148 0.03 . 1 . . . . 73 GLU HA . 18341 1 698 . 1 1 73 73 GLU HB3 H 1 1.620 0.03 . 2 . . . . 73 GLU HB3 . 18341 1 699 . 1 1 73 73 GLU HG2 H 1 1.765 0.03 . 2 . . . . 73 GLU HG2 . 18341 1 700 . 1 1 73 73 GLU HG3 H 1 1.846 0.03 . 2 . . . . 73 GLU HG3 . 18341 1 701 . 1 1 73 73 GLU C C 13 176.210 0.50 . 1 . . . . 73 GLU C . 18341 1 702 . 1 1 73 73 GLU CA C 13 57.165 0.50 . 1 . . . . 73 GLU CA . 18341 1 703 . 1 1 73 73 GLU CB C 13 28.900 0.50 . 1 . . . . 73 GLU CB . 18341 1 704 . 1 1 73 73 GLU CG C 13 34.730 0.50 . 1 . . . . 73 GLU CG . 18341 1 705 . 1 1 73 73 GLU N N 15 119.760 0.20 . 1 . . . . 73 GLU N . 18341 1 706 . 1 1 74 74 PHE H H 1 8.034 0.03 . 1 . . . . 74 PHE HN . 18341 1 707 . 1 1 74 74 PHE HA H 1 4.613 0.03 . 1 . . . . 74 PHE HA . 18341 1 708 . 1 1 74 74 PHE HB2 H 1 2.630 0.03 . 2 . . . . 74 PHE HB2 . 18341 1 709 . 1 1 74 74 PHE HB3 H 1 3.311 0.03 . 2 . . . . 74 PHE HB3 . 18341 1 710 . 1 1 74 74 PHE HD1 H 1 6.930 0.03 . 3 . . . . 74 PHE HD1 . 18341 1 711 . 1 1 74 74 PHE HD2 H 1 6.930 0.03 . 3 . . . . 74 PHE HD2 . 18341 1 712 . 1 1 74 74 PHE HE1 H 1 7.010 0.03 . 3 . . . . 74 PHE HE1 . 18341 1 713 . 1 1 74 74 PHE HE2 H 1 7.010 0.03 . 3 . . . . 74 PHE HE2 . 18341 1 714 . 1 1 74 74 PHE HZ H 1 6.870 0.03 . 1 . . . . 74 PHE HZ . 18341 1 715 . 1 1 74 74 PHE C C 13 175.070 0.50 . 1 . . . . 74 PHE C . 18341 1 716 . 1 1 74 74 PHE CA C 13 55.805 0.50 . 1 . . . . 74 PHE CA . 18341 1 717 . 1 1 74 74 PHE CB C 13 38.850 0.50 . 1 . . . . 74 PHE CB . 18341 1 718 . 1 1 74 74 PHE CD1 C 13 131.200 0.50 . 3 . . . . 74 PHE CD1 . 18341 1 719 . 1 1 74 74 PHE CD2 C 13 131.200 0.50 . 3 . . . . 74 PHE CD2 . 18341 1 720 . 1 1 74 74 PHE CE1 C 13 131.200 0.50 . 3 . . . . 74 PHE CE1 . 18341 1 721 . 1 1 74 74 PHE CE2 C 13 131.200 0.50 . 3 . . . . 74 PHE CE2 . 18341 1 722 . 1 1 74 74 PHE CZ C 13 129.500 0.50 . 1 . . . . 74 PHE CZ . 18341 1 723 . 1 1 74 74 PHE N N 15 116.720 0.20 . 1 . . . . 74 PHE N . 18341 1 724 . 1 1 75 75 LYS H H 1 7.175 0.03 . 1 . . . . 75 LYS HN . 18341 1 725 . 1 1 75 75 LYS HA H 1 3.866 0.03 . 1 . . . . 75 LYS HA . 18341 1 726 . 1 1 75 75 LYS HB2 H 1 1.844 0.03 . 2 . . . . 75 LYS HB2 . 18341 1 727 . 1 1 75 75 LYS HB3 H 1 2.017 0.03 . 2 . . . . 75 LYS HB3 . 18341 1 728 . 1 1 75 75 LYS HG2 H 1 1.305 0.03 . 2 . . . . 75 LYS HG2 . 18341 1 729 . 1 1 75 75 LYS HG3 H 1 1.458 0.03 . 2 . . . . 75 LYS HG3 . 18341 1 730 . 1 1 75 75 LYS HD2 H 1 1.679 0.03 . 2 . . . . 75 LYS HD2 . 18341 1 731 . 1 1 75 75 LYS HD3 H 1 1.792 0.03 . 2 . . . . 75 LYS HD3 . 18341 1 732 . 1 1 75 75 LYS HE2 H 1 2.981 0.03 . 2 . . . . 75 LYS HE2 . 18341 1 733 . 1 1 75 75 LYS HE3 H 1 2.981 0.03 . 2 . . . . 75 LYS HE3 . 18341 1 734 . 1 1 75 75 LYS C C 13 177.456 0.50 . 1 . . . . 75 LYS C . 18341 1 735 . 1 1 75 75 LYS CA C 13 58.253 0.50 . 1 . . . . 75 LYS CA . 18341 1 736 . 1 1 75 75 LYS CB C 13 31.867 0.50 . 1 . . . . 75 LYS CB . 18341 1 737 . 1 1 75 75 LYS CG C 13 23.797 0.50 . 1 . . . . 75 LYS CG . 18341 1 738 . 1 1 75 75 LYS CD C 13 29.238 0.50 . 1 . . . . 75 LYS CD . 18341 1 739 . 1 1 75 75 LYS CE C 13 41.756 0.50 . 1 . . . . 75 LYS CE . 18341 1 740 . 1 1 75 75 LYS N N 15 120.710 0.20 . 1 . . . . 75 LYS N . 18341 1 741 . 1 1 76 76 GLY H H 1 8.786 0.03 . 1 . . . . 76 GLY HN . 18341 1 742 . 1 1 76 76 GLY HA2 H 1 3.725 0.03 . 2 . . . . 76 GLY HA2 . 18341 1 743 . 1 1 76 76 GLY HA3 H 1 4.017 0.03 . 2 . . . . 76 GLY HA3 . 18341 1 744 . 1 1 76 76 GLY C C 13 173.962 0.50 . 1 . . . . 76 GLY C . 18341 1 745 . 1 1 76 76 GLY CA C 13 45.683 0.50 . 1 . . . . 76 GLY CA . 18341 1 746 . 1 1 76 76 GLY N N 15 112.976 0.20 . 1 . . . . 76 GLY N . 18341 1 747 . 1 1 77 77 GLN H H 1 7.986 0.03 . 1 . . . . 77 GLN HN . 18341 1 748 . 1 1 77 77 GLN HA H 1 4.582 0.03 . 1 . . . . 77 GLN HA . 18341 1 749 . 1 1 77 77 GLN HB2 H 1 1.970 0.03 . 2 . . . . 77 GLN HB2 . 18341 1 750 . 1 1 77 77 GLN HB3 H 1 1.990 0.03 . 2 . . . . 77 GLN HB3 . 18341 1 751 . 1 1 77 77 GLN HG2 H 1 2.100 0.03 . 2 . . . . 77 GLN HG2 . 18341 1 752 . 1 1 77 77 GLN HG3 H 1 2.237 0.03 . 2 . . . . 77 GLN HG3 . 18341 1 753 . 1 1 77 77 GLN HE21 H 1 7.297 0.03 . 2 . . . . 77 GLN HE21 . 18341 1 754 . 1 1 77 77 GLN HE22 H 1 6.727 0.03 . 2 . . . . 77 GLN HE22 . 18341 1 755 . 1 1 77 77 GLN C C 13 174.457 0.50 . 1 . . . . 77 GLN C . 18341 1 756 . 1 1 77 77 GLN CA C 13 54.921 0.50 . 1 . . . . 77 GLN CA . 18341 1 757 . 1 1 77 77 GLN CB C 13 31.703 0.50 . 1 . . . . 77 GLN CB . 18341 1 758 . 1 1 77 77 GLN CG C 13 34.225 0.50 . 1 . . . . 77 GLN CG . 18341 1 759 . 1 1 77 77 GLN N N 15 117.748 0.20 . 1 . . . . 77 GLN N . 18341 1 760 . 1 1 77 77 GLN NE2 N 15 110.681 0.20 . 1 . . . . 77 GLN NE2 . 18341 1 761 . 1 1 78 78 HIS H H 1 8.537 0.03 . 1 . . . . 78 HIS HN . 18341 1 762 . 1 1 78 78 HIS HA H 1 4.754 0.03 . 1 . . . . 78 HIS HA . 18341 1 763 . 1 1 78 78 HIS HB2 H 1 3.090 0.03 . 2 . . . . 78 HIS HB2 . 18341 1 764 . 1 1 78 78 HIS HB3 H 1 3.370 0.03 . 2 . . . . 78 HIS HB3 . 18341 1 765 . 1 1 78 78 HIS HD2 H 1 7.209 0.03 . 2 . . . . 78 HIS HD2 . 18341 1 766 . 1 1 78 78 HIS HE1 H 1 8.130 0.03 . 2 . . . . 78 HIS HE1 . 18341 1 767 . 1 1 78 78 HIS C C 13 176.401 0.50 . 1 . . . . 78 HIS C . 18341 1 768 . 1 1 78 78 HIS CA C 13 54.445 0.50 . 1 . . . . 78 HIS CA . 18341 1 769 . 1 1 78 78 HIS CB C 13 32.041 0.50 . 1 . . . . 78 HIS CB . 18341 1 770 . 1 1 78 78 HIS CD2 C 13 119.628 0.50 . 1 . . . . 78 HIS CD2 . 18341 1 771 . 1 1 78 78 HIS CE1 C 13 138.300 0.50 . 1 . . . . 78 HIS CE1 . 18341 1 772 . 1 1 78 78 HIS N N 15 118.115 0.20 . 1 . . . . 78 HIS N . 18341 1 773 . 1 1 79 79 LEU H H 1 9.070 0.03 . 1 . . . . 79 LEU HN . 18341 1 774 . 1 1 79 79 LEU HA H 1 3.580 0.03 . 1 . . . . 79 LEU HA . 18341 1 775 . 1 1 79 79 LEU HB2 H 1 1.112 0.03 . 1 . . . . 79 LEU HB2 . 18341 1 776 . 1 1 79 79 LEU HB3 H 1 1.308 0.03 . 1 . . . . 79 LEU HB3 . 18341 1 777 . 1 1 79 79 LEU HG H 1 0.898 0.03 . 1 . . . . 79 LEU HG . 18341 1 778 . 1 1 79 79 LEU HD11 H 1 0.381 0.03 . 2 . . . . 79 LEU HD11 . 18341 1 779 . 1 1 79 79 LEU HD12 H 1 0.381 0.03 . 2 . . . . 79 LEU HD11 . 18341 1 780 . 1 1 79 79 LEU HD13 H 1 0.381 0.03 . 2 . . . . 79 LEU HD11 . 18341 1 781 . 1 1 79 79 LEU HD21 H 1 -0.034 0.03 . 2 . . . . 79 LEU HD21 . 18341 1 782 . 1 1 79 79 LEU HD22 H 1 -0.034 0.03 . 2 . . . . 79 LEU HD21 . 18341 1 783 . 1 1 79 79 LEU HD23 H 1 -0.034 0.03 . 2 . . . . 79 LEU HD21 . 18341 1 784 . 1 1 79 79 LEU C C 13 177.024 0.50 . 1 . . . . 79 LEU C . 18341 1 785 . 1 1 79 79 LEU CA C 13 58.979 0.50 . 1 . . . . 79 LEU CA . 18341 1 786 . 1 1 79 79 LEU CB C 13 41.841 0.50 . 1 . . . . 79 LEU CB . 18341 1 787 . 1 1 79 79 LEU CG C 13 26.518 0.50 . 1 . . . . 79 LEU CG . 18341 1 788 . 1 1 79 79 LEU CD1 C 13 23.707 0.50 . 1 . . . . 79 LEU CD1 . 18341 1 789 . 1 1 79 79 LEU CD2 C 13 25.322 0.50 . 1 . . . . 79 LEU CD2 . 18341 1 790 . 1 1 79 79 LEU N N 15 124.000 0.20 . 1 . . . . 79 LEU N . 18341 1 791 . 1 1 80 80 ALA H H 1 8.570 0.03 . 1 . . . . 80 ALA HN . 18341 1 792 . 1 1 80 80 ALA HA H 1 3.694 0.03 . 1 . . . . 80 ALA HA . 18341 1 793 . 1 1 80 80 ALA HB1 H 1 1.472 0.03 . 1 . . . . 80 ALA HB1 . 18341 1 794 . 1 1 80 80 ALA HB2 H 1 1.472 0.03 . 1 . . . . 80 ALA HB1 . 18341 1 795 . 1 1 80 80 ALA HB3 H 1 1.472 0.03 . 1 . . . . 80 ALA HB1 . 18341 1 796 . 1 1 80 80 ALA CA C 13 55.533 0.50 . 1 . . . . 80 ALA CA . 18341 1 797 . 1 1 80 80 ALA CB C 13 18.176 0.50 . 1 . . . . 80 ALA CB . 18341 1 798 . 1 1 80 80 ALA N N 15 117.060 0.20 . 1 . . . . 80 ALA N . 18341 1 799 . 1 1 81 81 ASP H H 1 6.983 0.03 . 1 . . . . 81 ASP HN . 18341 1 800 . 1 1 81 81 ASP HA H 1 4.447 0.03 . 1 . . . . 81 ASP HA . 18341 1 801 . 1 1 81 81 ASP HB2 H 1 2.770 0.03 . 2 . . . . 81 ASP HB2 . 18341 1 802 . 1 1 81 81 ASP HB3 H 1 2.942 0.03 . 2 . . . . 81 ASP HB3 . 18341 1 803 . 1 1 81 81 ASP C C 13 178.909 0.50 . 1 . . . . 81 ASP C . 18341 1 804 . 1 1 81 81 ASP CA C 13 57.009 0.50 . 1 . . . . 81 ASP CA . 18341 1 805 . 1 1 81 81 ASP CB C 13 40.575 0.50 . 1 . . . . 81 ASP CB . 18341 1 806 . 1 1 81 81 ASP N N 15 115.356 0.20 . 1 . . . . 81 ASP N . 18341 1 807 . 1 1 82 82 ILE H H 1 7.645 0.03 . 1 . . . . 82 ILE HN . 18341 1 808 . 1 1 82 82 ILE HA H 1 3.634 0.03 . 1 . . . . 82 ILE HA . 18341 1 809 . 1 1 82 82 ILE HB H 1 1.556 0.03 . 1 . . . . 82 ILE HB . 18341 1 810 . 1 1 82 82 ILE HG12 H 1 0.937 0.03 . 1 . . . . 82 ILE HG12 . 18341 1 811 . 1 1 82 82 ILE HG13 H 1 1.642 0.03 . 1 . . . . 82 ILE HG13 . 18341 1 812 . 1 1 82 82 ILE HG21 H 1 0.687 0.03 . 1 . . . . 82 ILE HG21 . 18341 1 813 . 1 1 82 82 ILE HG22 H 1 0.687 0.03 . 1 . . . . 82 ILE HG21 . 18341 1 814 . 1 1 82 82 ILE HG23 H 1 0.687 0.03 . 1 . . . . 82 ILE HG21 . 18341 1 815 . 1 1 82 82 ILE HD11 H 1 0.538 0.03 . 1 . . . . 82 ILE HD11 . 18341 1 816 . 1 1 82 82 ILE HD12 H 1 0.538 0.03 . 1 . . . . 82 ILE HD11 . 18341 1 817 . 1 1 82 82 ILE HD13 H 1 0.538 0.03 . 1 . . . . 82 ILE HD11 . 18341 1 818 . 1 1 82 82 ILE CA C 13 64.782 0.50 . 1 . . . . 82 ILE CA . 18341 1 819 . 1 1 82 82 ILE CB C 13 38.577 0.50 . 1 . . . . 82 ILE CB . 18341 1 820 . 1 1 82 82 ILE CG1 C 13 27.888 0.50 . 1 . . . . 82 ILE CG1 . 18341 1 821 . 1 1 82 82 ILE CG2 C 13 17.605 0.50 . 1 . . . . 82 ILE CG2 . 18341 1 822 . 1 1 82 82 ILE CD1 C 13 14.343 0.50 . 1 . . . . 82 ILE CD1 . 18341 1 823 . 1 1 82 82 ILE N N 15 120.364 0.20 . 1 . . . . 82 ILE N . 18341 1 824 . 1 1 83 83 LEU H H 1 7.857 0.03 . 1 . . . . 83 LEU HN . 18341 1 825 . 1 1 83 83 LEU HA H 1 3.849 0.03 . 1 . . . . 83 LEU HA . 18341 1 826 . 1 1 83 83 LEU HB2 H 1 1.384 0.03 . 2 . . . . 83 LEU HB2 . 18341 1 827 . 1 1 83 83 LEU HB3 H 1 1.618 0.03 . 2 . . . . 83 LEU HB3 . 18341 1 828 . 1 1 83 83 LEU HG H 1 1.513 0.03 . 1 . . . . 83 LEU HG . 18341 1 829 . 1 1 83 83 LEU HD11 H 1 0.295 0.03 . 2 . . . . 83 LEU HD11 . 18341 1 830 . 1 1 83 83 LEU HD12 H 1 0.295 0.03 . 2 . . . . 83 LEU HD11 . 18341 1 831 . 1 1 83 83 LEU HD13 H 1 0.295 0.03 . 2 . . . . 83 LEU HD11 . 18341 1 832 . 1 1 83 83 LEU HD21 H 1 0.296 0.03 . 2 . . . . 83 LEU HD21 . 18341 1 833 . 1 1 83 83 LEU HD22 H 1 0.296 0.03 . 2 . . . . 83 LEU HD21 . 18341 1 834 . 1 1 83 83 LEU HD23 H 1 0.296 0.03 . 2 . . . . 83 LEU HD21 . 18341 1 835 . 1 1 83 83 LEU C C 13 178.348 0.50 . 1 . . . . 83 LEU C . 18341 1 836 . 1 1 83 83 LEU CA C 13 57.281 0.50 . 1 . . . . 83 LEU CA . 18341 1 837 . 1 1 83 83 LEU CB C 13 41.029 0.50 . 1 . . . . 83 LEU CB . 18341 1 838 . 1 1 83 83 LEU CG C 13 26.321 0.50 . 1 . . . . 83 LEU CG . 18341 1 839 . 1 1 83 83 LEU CD1 C 13 26.503 0.50 . 1 . . . . 83 LEU CD1 . 18341 1 840 . 1 1 83 83 LEU CD2 C 13 22.437 0.50 . 1 . . . . 83 LEU CD2 . 18341 1 841 . 1 1 83 83 LEU N N 15 116.622 0.20 . 1 . . . . 83 LEU N . 18341 1 842 . 1 1 84 84 ASN H H 1 7.955 0.03 . 1 . . . . 84 ASN HN . 18341 1 843 . 1 1 84 84 ASN HA H 1 4.686 0.03 . 1 . . . . 84 ASN HA . 18341 1 844 . 1 1 84 84 ASN HB2 H 1 2.920 0.03 . 2 . . . . 84 ASN HB2 . 18341 1 845 . 1 1 84 84 ASN HB3 H 1 2.900 0.03 . 2 . . . . 84 ASN HB3 . 18341 1 846 . 1 1 84 84 ASN HD21 H 1 7.044 0.03 . 2 . . . . 84 ASN HD21 . 18341 1 847 . 1 1 84 84 ASN HD22 H 1 7.650 0.03 . 2 . . . . 84 ASN HD22 . 18341 1 848 . 1 1 84 84 ASN C C 13 176.817 0.50 . 1 . . . . 84 ASN C . 18341 1 849 . 1 1 84 84 ASN CA C 13 54.989 0.50 . 1 . . . . 84 ASN CA . 18341 1 850 . 1 1 84 84 ASN CB C 13 38.759 0.50 . 1 . . . . 84 ASN CB . 18341 1 851 . 1 1 84 84 ASN N N 15 115.777 0.20 . 1 . . . . 84 ASN N . 18341 1 852 . 1 1 84 84 ASN ND2 N 15 112.650 0.20 . 1 . . . . 84 ASN ND2 . 18341 1 853 . 1 1 85 85 SER H H 1 7.805 0.03 . 1 . . . . 85 SER HN . 18341 1 854 . 1 1 85 85 SER HA H 1 4.368 0.03 . 1 . . . . 85 SER HA . 18341 1 855 . 1 1 85 85 SER HB2 H 1 3.992 0.03 . 2 . . . . 85 SER HB2 . 18341 1 856 . 1 1 85 85 SER HB3 H 1 3.988 0.03 . 2 . . . . 85 SER HB3 . 18341 1 857 . 1 1 85 85 SER C C 13 175.212 0.50 . 1 . . . . 85 SER C . 18341 1 858 . 1 1 85 85 SER CA C 13 59.885 0.50 . 1 . . . . 85 SER CA . 18341 1 859 . 1 1 85 85 SER CB C 13 63.694 0.50 . 1 . . . . 85 SER CB . 18341 1 860 . 1 1 85 85 SER N N 15 114.452 0.20 . 1 . . . . 85 SER N . 18341 1 861 . 1 1 86 86 ALA H H 1 7.774 0.03 . 1 . . . . 86 ALA HN . 18341 1 862 . 1 1 86 86 ALA HA H 1 4.289 0.03 . 1 . . . . 86 ALA HA . 18341 1 863 . 1 1 86 86 ALA HB1 H 1 1.429 0.03 . 1 . . . . 86 ALA HB1 . 18341 1 864 . 1 1 86 86 ALA HB2 H 1 1.429 0.03 . 1 . . . . 86 ALA HB1 . 18341 1 865 . 1 1 86 86 ALA HB3 H 1 1.429 0.03 . 1 . . . . 86 ALA HB1 . 18341 1 866 . 1 1 86 86 ALA C C 13 177.923 0.50 . 1 . . . . 86 ALA C . 18341 1 867 . 1 1 86 86 ALA CA C 13 53.105 0.50 . 1 . . . . 86 ALA CA . 18341 1 868 . 1 1 86 86 ALA CB C 13 19.264 0.50 . 1 . . . . 86 ALA CB . 18341 1 869 . 1 1 86 86 ALA N N 15 123.671 0.20 . 1 . . . . 86 ALA N . 18341 1 870 . 1 1 87 87 SER H H 1 7.871 0.03 . 1 . . . . 87 SER HN . 18341 1 871 . 1 1 87 87 SER HA H 1 4.382 0.03 . 1 . . . . 87 SER HA . 18341 1 872 . 1 1 87 87 SER HB2 H 1 3.843 0.03 . 2 . . . . 87 SER HB2 . 18341 1 873 . 1 1 87 87 SER HB3 H 1 3.839 0.03 . 2 . . . . 87 SER HB3 . 18341 1 874 . 1 1 87 87 SER C C 13 174.439 0.50 . 1 . . . . 87 SER C . 18341 1 875 . 1 1 87 87 SER CA C 13 58.734 0.50 . 1 . . . . 87 SER CA . 18341 1 876 . 1 1 87 87 SER CB C 13 63.694 0.50 . 1 . . . . 87 SER CB . 18341 1 877 . 1 1 87 87 SER N N 15 112.978 0.20 . 1 . . . . 87 SER N . 18341 1 878 . 1 1 88 88 ARG H H 1 7.954 0.03 . 1 . . . . 88 ARG HN . 18341 1 879 . 1 1 88 88 ARG HA H 1 4.363 0.03 . 1 . . . . 88 ARG HA . 18341 1 880 . 1 1 88 88 ARG HB2 H 1 1.723 0.03 . 2 . . . . 88 ARG HB2 . 18341 1 881 . 1 1 88 88 ARG HB3 H 1 1.823 0.03 . 2 . . . . 88 ARG HB3 . 18341 1 882 . 1 1 88 88 ARG HG2 H 1 1.580 0.03 . 2 . . . . 88 ARG HG2 . 18341 1 883 . 1 1 88 88 ARG HG3 H 1 1.584 0.03 . 2 . . . . 88 ARG HG3 . 18341 1 884 . 1 1 88 88 ARG HD2 H 1 3.157 0.03 . 2 . . . . 88 ARG HD2 . 18341 1 885 . 1 1 88 88 ARG HD3 H 1 3.157 0.03 . 2 . . . . 88 ARG HD3 . 18341 1 886 . 1 1 88 88 ARG HE H 1 7.203 0.03 . 1 . . . . 88 ARG HE . 18341 1 887 . 1 1 88 88 ARG C C 13 176.026 0.50 . 1 . . . . 88 ARG C . 18341 1 888 . 1 1 88 88 ARG CA C 13 55.919 0.50 . 1 . . . . 88 ARG CA . 18341 1 889 . 1 1 88 88 ARG CB C 13 30.951 0.50 . 1 . . . . 88 ARG CB . 18341 1 890 . 1 1 88 88 ARG CG C 13 27.138 0.50 . 1 . . . . 88 ARG CG . 18341 1 891 . 1 1 88 88 ARG CD C 13 43.390 0.50 . 1 . . . . 88 ARG CD . 18341 1 892 . 1 1 88 88 ARG N N 15 122.058 0.20 . 1 . . . . 88 ARG N . 18341 1 893 . 1 1 88 88 ARG NE N 15 85.390 0.20 . 1 . . . . 88 ARG NE . 18341 1 894 . 1 1 89 89 VAL H H 1 8.046 0.03 . 1 . . . . 89 VAL HN . 18341 1 895 . 1 1 89 89 VAL HA H 1 4.348 0.03 . 1 . . . . 89 VAL HA . 18341 1 896 . 1 1 89 89 VAL HB H 1 2.056 0.03 . 1 . . . . 89 VAL HB . 18341 1 897 . 1 1 89 89 VAL HG11 H 1 0.917 0.03 . 2 . . . . 89 VAL HG11 . 18341 1 898 . 1 1 89 89 VAL HG12 H 1 0.917 0.03 . 2 . . . . 89 VAL HG11 . 18341 1 899 . 1 1 89 89 VAL HG13 H 1 0.917 0.03 . 2 . . . . 89 VAL HG11 . 18341 1 900 . 1 1 89 89 VAL HG21 H 1 0.917 0.03 . 2 . . . . 89 VAL HG21 . 18341 1 901 . 1 1 89 89 VAL HG22 H 1 0.917 0.03 . 2 . . . . 89 VAL HG21 . 18341 1 902 . 1 1 89 89 VAL HG23 H 1 0.917 0.03 . 2 . . . . 89 VAL HG21 . 18341 1 903 . 1 1 89 89 VAL C C 13 174.672 0.50 . 1 . . . . 89 VAL C . 18341 1 904 . 1 1 89 89 VAL CA C 13 59.804 0.50 . 1 . . . . 89 VAL CA . 18341 1 905 . 1 1 89 89 VAL CB C 13 32.321 0.50 . 1 . . . . 89 VAL CB . 18341 1 906 . 1 1 89 89 VAL CG1 C 13 20.805 0.50 . 1 . . . . 89 VAL CG1 . 18341 1 907 . 1 1 89 89 VAL CG2 C 13 20.805 0.50 . 1 . . . . 89 VAL CG2 . 18341 1 908 . 1 1 89 89 VAL N N 15 122.520 0.20 . 1 . . . . 89 VAL N . 18341 1 909 . 1 1 90 90 PRO HA H 1 4.407 0.03 . 1 . . . . 90 PRO HA . 18341 1 910 . 1 1 90 90 PRO HB2 H 1 1.932 0.03 . 2 . . . . 90 PRO HB2 . 18341 1 911 . 1 1 90 90 PRO HB3 H 1 2.280 0.03 . 2 . . . . 90 PRO HB3 . 18341 1 912 . 1 1 90 90 PRO HG2 H 1 1.944 0.03 . 2 . . . . 90 PRO HG2 . 18341 1 913 . 1 1 90 90 PRO HG3 H 1 2.022 0.03 . 2 . . . . 90 PRO HG3 . 18341 1 914 . 1 1 90 90 PRO HD2 H 1 3.842 0.03 . 2 . . . . 90 PRO HD2 . 18341 1 915 . 1 1 90 90 PRO HD3 H 1 3.638 0.03 . 2 . . . . 90 PRO HD3 . 18341 1 916 . 1 1 90 90 PRO CA C 13 63.273 0.50 . 1 . . . . 90 PRO CA . 18341 1 917 . 1 1 90 90 PRO CB C 13 32.132 0.50 . 1 . . . . 90 PRO CB . 18341 1 918 . 1 1 90 90 PRO CG C 13 27.320 0.50 . 1 . . . . 90 PRO CG . 18341 1 919 . 1 1 90 90 PRO CD C 13 50.926 0.50 . 1 . . . . 90 PRO CD . 18341 1 920 . 1 1 91 91 GLU H H 1 8.406 0.03 . 1 . . . . 91 GLU HN . 18341 1 921 . 1 1 91 91 GLU HA H 1 4.257 0.03 . 1 . . . . 91 GLU HA . 18341 1 922 . 1 1 91 91 GLU HB2 H 1 1.939 0.03 . 2 . . . . 91 GLU HB2 . 18341 1 923 . 1 1 91 91 GLU HB3 H 1 2.057 0.03 . 2 . . . . 91 GLU HB3 . 18341 1 924 . 1 1 91 91 GLU HG2 H 1 2.276 0.03 . 2 . . . . 91 GLU HG2 . 18341 1 925 . 1 1 91 91 GLU HG3 H 1 2.276 0.03 . 2 . . . . 91 GLU HG3 . 18341 1 926 . 1 1 91 91 GLU C C 13 176.758 0.50 . 1 . . . . 91 GLU C . 18341 1 927 . 1 1 91 91 GLU CA C 13 56.803 0.50 . 1 . . . . 91 GLU CA . 18341 1 928 . 1 1 91 91 GLU CB C 13 29.710 0.50 . 1 . . . . 91 GLU CB . 18341 1 929 . 1 1 91 91 GLU CG C 13 36.308 0.50 . 1 . . . . 91 GLU CG . 18341 1 930 . 1 1 91 91 GLU N N 15 121.137 0.20 . 1 . . . . 91 GLU N . 18341 1 931 . 1 1 92 92 SER H H 1 7.870 0.03 . 1 . . . . 92 SER HN . 18341 1 932 . 1 1 92 92 SER HA H 1 4.380 0.03 . 1 . . . . 92 SER HA . 18341 1 933 . 1 1 92 92 SER HB2 H 1 3.820 0.03 . 2 . . . . 92 SER HB2 . 18341 1 934 . 1 1 92 92 SER HB3 H 1 3.820 0.03 . 2 . . . . 92 SER HB3 . 18341 1 935 . 1 1 92 92 SER C C 13 174.431 0.50 . 1 . . . . 92 SER C . 18341 1 936 . 1 1 92 92 SER CA C 13 58.043 0.50 . 1 . . . . 92 SER CA . 18341 1 937 . 1 1 92 92 SER CB C 13 63.784 0.50 . 1 . . . . 92 SER CB . 18341 1 938 . 1 1 92 92 SER N N 15 121.780 0.20 . 1 . . . . 92 SER N . 18341 1 stop_ save_