data_17050 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 17050 _Entry.Title ; Tudor domain from Drosophila Polycomblike ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-08 _Entry.Accession_date 2010-07-08 _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 'Solution structure of the Tudor domain from Drosophila Polycomblike (Pcl)' _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 A. Friberg . . . 17050 2 A. Oddone . . . 17050 3 T. Klymenko . . . 17050 4 J. Mueller . . . 17050 5 M. Sattler . . . 17050 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Sattler group; HMGU/TU Munich' . 17050 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'aromatic cage' . 17050 methyllysine . 17050 Pcl . 17050 Polycomblike . 17050 'posttranslational modification' . 17050 'POSTTRANSLATIONA MODIFICATION' . 17050 TRANSCRIPTION . 17050 'transcriptional regulation' . 17050 Tudor . 17050 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17050 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 220 17050 '15N chemical shifts' 66 17050 '1H chemical shifts' 442 17050 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 . . 2010-09-28 2010-07-08 update BMRB 'Edit entry citation' 17050 1 . . 2010-08-12 2010-07-08 original author 'original release' 17050 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2e5p 'human homolog' 17050 PDB 2e5q 'human homolog' 17050 PDB 2eqj 'human homolog' 17050 PDB 2XK0 'BMRB Entry Tracking System' 17050 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 17050 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20669242 _Citation.Full_citation . _Citation.Title 'Structure of an atypical Tudor domain in the Drosophila Polycomblike protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 19 _Citation.Journal_issue 10 _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 1906 _Citation.Page_last 1916 _Citation.Year 2010 _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 Anders Friberg . . . 17050 1 2 Anna Oddone . . . 17050 1 3 Tetyana Klymenko . . . 17050 1 4 Jurg Muller . . . 17050 1 5 Michael Sattler . . . 17050 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'aromatic cage' 17050 1 methyllysine 17050 1 NMR 17050 1 Pcl 17050 1 Polycomblike 17050 1 'posttranslational modification' 17050 1 PRC2 17050 1 sDMA 17050 1 'transcriptional regulation' 17050 1 Tudor 17050 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 17050 _Assembly.ID 1 _Assembly.Name 'Solution structure of the Tudor domain from Drosophila Polycomblike (Pcl)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'all free' _Assembly.Molecular_mass 7578.4194 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'POLYCOMB PROTEIN PCL' 1 $POLYCOMB_PROTEIN_PCL A . yes native no no . . . 17050 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_POLYCOMB_PROTEIN_PCL _Entity.Sf_category entity _Entity.Sf_framecode POLYCOMB_PROTEIN_PCL _Entity.Entry_ID 17050 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name POLYCOMB_PROTEIN_PCL _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMAPPVAAPSPAVTYALQE DVFIKCNDGRFYLGTIIDQT SDQYLIRFDDQSEQWCEPDK LRKLGGGSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 7-75 _Entity.Polymer_author_seq_details 'Three first residues is a cloning artifact.' _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Tudor domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7578.4194 _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 yes UNP PCL_DROME . Q24459 . . . "The first three residues (GAM...) is a cloning artifact." . . . . . . . . . . 17050 1 2 no PDB 2XK0 . "Solution Structure Of The Tudor Domain From Drosophila Polycomblike (Pcl)" . . . . . 100.00 69 100.00 100.00 1.01e-42 . . . . 17050 1 3 no GB AAA64457 . "polycomblike nuclear protein [Drosophila melanogaster]" . . . . . 95.65 857 100.00 100.00 7.20e-37 . . . . 17050 1 4 no GB AAF57748 . "polycomblike, isoform A [Drosophila melanogaster]" . . . . . 95.65 1043 100.00 100.00 6.09e-37 . . . . 17050 1 5 no GB AAL68389 . "SD09488p [Drosophila melanogaster]" . . . . . 95.65 1043 100.00 100.00 6.09e-37 . . . . 17050 1 6 no GB ACL83738 . "Pcl-PA, partial [synthetic construct]" . . . . . 95.65 1043 100.00 100.00 6.09e-37 . . . . 17050 1 7 no GB ACL88860 . "Pcl-PA [synthetic construct]" . . . . . 95.65 1043 100.00 100.00 6.09e-37 . . . . 17050 1 8 no REF NP_001261067 . "polycomblike, isoform B [Drosophila melanogaster]" . . . . . 95.65 1043 100.00 100.00 6.09e-37 . . . . 17050 1 9 no REF NP_476672 . "polycomblike, isoform A [Drosophila melanogaster]" . . . . . 95.65 1043 100.00 100.00 6.09e-37 . . . . 17050 1 10 no REF XP_001974621 . "GG21845 [Drosophila erecta]" . . . . . 95.65 1041 98.48 100.00 1.33e-36 . . . . 17050 1 11 no REF XP_002034393 . "GM21846 [Drosophila sechellia]" . . . . . 95.65 1041 100.00 100.00 6.25e-37 . . . . 17050 1 12 no REF XP_002082031 . "GD11340 [Drosophila simulans]" . . . . . 95.65 1041 100.00 100.00 6.37e-37 . . . . 17050 1 13 no SP Q24459 . "RecName: Full=Polycomb protein Pcl; AltName: Full=Polycomblike protein" . . . . . 95.65 1043 100.00 100.00 6.09e-37 . . . . 17050 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcriptional repression' 17050 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 7 GLY . 17050 1 2 8 ALA . 17050 1 3 9 MET . 17050 1 4 10 ALA . 17050 1 5 11 PRO . 17050 1 6 12 PRO . 17050 1 7 13 VAL . 17050 1 8 14 ALA . 17050 1 9 15 ALA . 17050 1 10 16 PRO . 17050 1 11 17 SER . 17050 1 12 18 PRO . 17050 1 13 19 ALA . 17050 1 14 20 VAL . 17050 1 15 21 THR . 17050 1 16 22 TYR . 17050 1 17 23 ALA . 17050 1 18 24 LEU . 17050 1 19 25 GLN . 17050 1 20 26 GLU . 17050 1 21 27 ASP . 17050 1 22 28 VAL . 17050 1 23 29 PHE . 17050 1 24 30 ILE . 17050 1 25 31 LYS . 17050 1 26 32 CYS . 17050 1 27 33 ASN . 17050 1 28 34 ASP . 17050 1 29 35 GLY . 17050 1 30 36 ARG . 17050 1 31 37 PHE . 17050 1 32 38 TYR . 17050 1 33 39 LEU . 17050 1 34 40 GLY . 17050 1 35 41 THR . 17050 1 36 42 ILE . 17050 1 37 43 ILE . 17050 1 38 44 ASP . 17050 1 39 45 GLN . 17050 1 40 46 THR . 17050 1 41 47 SER . 17050 1 42 48 ASP . 17050 1 43 49 GLN . 17050 1 44 50 TYR . 17050 1 45 51 LEU . 17050 1 46 52 ILE . 17050 1 47 53 ARG . 17050 1 48 54 PHE . 17050 1 49 55 ASP . 17050 1 50 56 ASP . 17050 1 51 57 GLN . 17050 1 52 58 SER . 17050 1 53 59 GLU . 17050 1 54 60 GLN . 17050 1 55 61 TRP . 17050 1 56 62 CYS . 17050 1 57 63 GLU . 17050 1 58 64 PRO . 17050 1 59 65 ASP . 17050 1 60 66 LYS . 17050 1 61 67 LEU . 17050 1 62 68 ARG . 17050 1 63 69 LYS . 17050 1 64 70 LEU . 17050 1 65 71 GLY . 17050 1 66 72 GLY . 17050 1 67 73 GLY . 17050 1 68 74 SER . 17050 1 69 75 SER . 17050 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17050 1 . ALA 2 2 17050 1 . MET 3 3 17050 1 . ALA 4 4 17050 1 . PRO 5 5 17050 1 . PRO 6 6 17050 1 . VAL 7 7 17050 1 . ALA 8 8 17050 1 . ALA 9 9 17050 1 . PRO 10 10 17050 1 . SER 11 11 17050 1 . PRO 12 12 17050 1 . ALA 13 13 17050 1 . VAL 14 14 17050 1 . THR 15 15 17050 1 . TYR 16 16 17050 1 . ALA 17 17 17050 1 . LEU 18 18 17050 1 . GLN 19 19 17050 1 . GLU 20 20 17050 1 . ASP 21 21 17050 1 . VAL 22 22 17050 1 . PHE 23 23 17050 1 . ILE 24 24 17050 1 . LYS 25 25 17050 1 . CYS 26 26 17050 1 . ASN 27 27 17050 1 . ASP 28 28 17050 1 . GLY 29 29 17050 1 . ARG 30 30 17050 1 . PHE 31 31 17050 1 . TYR 32 32 17050 1 . LEU 33 33 17050 1 . GLY 34 34 17050 1 . THR 35 35 17050 1 . ILE 36 36 17050 1 . ILE 37 37 17050 1 . ASP 38 38 17050 1 . GLN 39 39 17050 1 . THR 40 40 17050 1 . SER 41 41 17050 1 . ASP 42 42 17050 1 . GLN 43 43 17050 1 . TYR 44 44 17050 1 . LEU 45 45 17050 1 . ILE 46 46 17050 1 . ARG 47 47 17050 1 . PHE 48 48 17050 1 . ASP 49 49 17050 1 . ASP 50 50 17050 1 . GLN 51 51 17050 1 . SER 52 52 17050 1 . GLU 53 53 17050 1 . GLN 54 54 17050 1 . TRP 55 55 17050 1 . CYS 56 56 17050 1 . GLU 57 57 17050 1 . PRO 58 58 17050 1 . ASP 59 59 17050 1 . LYS 60 60 17050 1 . LEU 61 61 17050 1 . ARG 62 62 17050 1 . LYS 63 63 17050 1 . LEU 64 64 17050 1 . GLY 65 65 17050 1 . GLY 66 66 17050 1 . GLY 67 67 17050 1 . SER 68 68 17050 1 . SER 69 69 17050 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 17050 _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 $POLYCOMB_PROTEIN_PCL . 7227 organism . 'Drosophila melanogaster' 'FRUIT FLY' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 17050 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 17050 _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 $POLYCOMB_PROTEIN_PCL . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) PLYSS . . . . . . . . . . . . . . pET-24d . . . 'A GFP-tag (Green Fluorescence Protein) had been inserted into the expression system plasmid to facilitate purification.' . . 17050 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17050 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 0.25mM _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% water/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 'POLYCOMB PROTEIN PCL' '[U-13C; U-15N]' . . 1 $POLYCOMB_PROTEIN_PCL . . . 0.25 1.0 mM . . . . 17050 1 2 salt 'natural abundance' . . . . . . 25 . . mM . . . . 17050 1 3 buffer 'natural abundance' . . . . . . 20 . . mM . . . . 17050 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17050 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17050 1 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 17050 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.3], temp [298.5], pressure [1], ionStrength [25.0]' 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' 25.000 . mM 17050 1 pH 6.300 . pH 17050 1 pressure 1.000 . atm 17050 1 temperature 298.500 . K 17050 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17050 _Software.ID 1 _Software.Name CNS _Software.Version any _Software.Details 'additionally water-refined' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . 17050 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17050 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17050 _Software.ID 2 _Software.Name NMRView _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17050 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17050 2 'data analysis' 17050 2 'peak picking' 17050 2 stop_ save_ save_CYANA_1 _Method.Sf_category method _Method.Sf_framecode CYANA_1 _Method.Entry_ID 17050 _Method.ID 1 _Method.Derivation_type . _Method.Details CYANA _Method.Computer_ID . _Method.Computer_label . 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 17050 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 17050 _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 DMX . 0 . . . 17050 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 17050 _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 HNCA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17050 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17050 1 3 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17050 1 4 (H)CC(CO)NH-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17050 1 5 H(CC)(CO)NH-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17050 1 6 H(C)CH-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17050 1 7 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17050 1 8 (HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17050 1 9 '1H-15N HSQC-NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17050 1 10 '1H-13C HMQC-NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17050 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 17050 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.740 internal indirect 0.251449530 . . . . . . . . . 17050 1 H 1 water protons . . . . ppm 4.740 internal direct 1 . . . . . . . . . 17050 1 N 15 water protons . . . . ppm 4.740 internal indirect 0.101329118 . . . . . . . . . 17050 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17050 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 HNCA . . . 17050 1 2 HNCACB . . . 17050 1 3 CBCA(CO)NH . . . 17050 1 4 (H)CC(CO)NH-TOCSY . . . 17050 1 5 H(CC)(CO)NH-TOCSY . . . 17050 1 6 H(C)CH-TOCSY . . . 17050 1 7 (HB)CB(CGCD)HD . . . 17050 1 8 (HB)CB(CGCDCE)HE . . . 17050 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.308 0.03 . 1 . . . . 8 ALA HA . 17050 1 2 . 1 1 2 2 ALA HB1 H 1 1.350 0.03 . 1 . . . . 8 ALA HB1 . 17050 1 3 . 1 1 2 2 ALA HB2 H 1 1.350 0.03 . 1 . . . . 8 ALA HB1 . 17050 1 4 . 1 1 2 2 ALA HB3 H 1 1.350 0.03 . 1 . . . . 8 ALA HB1 . 17050 1 5 . 1 1 2 2 ALA CA C 13 52.464 0.30 . 1 . . . . 8 ALA CA . 17050 1 6 . 1 1 2 2 ALA CB C 13 19.471 0.30 . 1 . . . . 8 ALA CB . 17050 1 7 . 1 1 3 3 MET H H 1 8.451 0.03 . 1 . . . . 9 MET HN . 17050 1 8 . 1 1 3 3 MET HA H 1 4.445 0.03 . 1 . . . . 9 MET HA . 17050 1 9 . 1 1 3 3 MET HB2 H 1 1.990 0.03 . 2 . . . . 9 MET HB1 . 17050 1 10 . 1 1 3 3 MET HB3 H 1 2.048 0.03 . 2 . . . . 9 MET HB2 . 17050 1 11 . 1 1 3 3 MET HE1 H 1 2.082 0.03 . 1 . . . . 9 MET HE1 . 17050 1 12 . 1 1 3 3 MET HE2 H 1 2.082 0.03 . 1 . . . . 9 MET HE1 . 17050 1 13 . 1 1 3 3 MET HE3 H 1 2.082 0.03 . 1 . . . . 9 MET HE1 . 17050 1 14 . 1 1 3 3 MET HG2 H 1 2.534 0.03 . 2 . . . . 9 MET HG1 . 17050 1 15 . 1 1 3 3 MET HG3 H 1 2.534 0.03 . 2 . . . . 9 MET HG2 . 17050 1 16 . 1 1 3 3 MET CA C 13 54.748 0.30 . 1 . . . . 9 MET CA . 17050 1 17 . 1 1 3 3 MET CB C 13 32.922 0.30 . 1 . . . . 9 MET CB . 17050 1 18 . 1 1 3 3 MET CE C 13 16.933 0.30 . 1 . . . . 9 MET CE . 17050 1 19 . 1 1 3 3 MET CG C 13 31.907 0.30 . 1 . . . . 9 MET CG . 17050 1 20 . 1 1 3 3 MET N N 15 120.500 0.30 . 1 . . . . 9 MET N . 17050 1 21 . 1 1 4 4 ALA H H 1 8.340 0.03 . 1 . . . . 10 ALA HN . 17050 1 22 . 1 1 4 4 ALA HA H 1 4.565 0.03 . 1 . . . . 10 ALA HA . 17050 1 23 . 1 1 4 4 ALA HB1 H 1 1.319 0.03 . 1 . . . . 10 ALA HB1 . 17050 1 24 . 1 1 4 4 ALA HB2 H 1 1.319 0.03 . 1 . . . . 10 ALA HB1 . 17050 1 25 . 1 1 4 4 ALA HB3 H 1 1.319 0.03 . 1 . . . . 10 ALA HB1 . 17050 1 26 . 1 1 4 4 ALA CA C 13 50.180 0.30 . 1 . . . . 10 ALA CA . 17050 1 27 . 1 1 4 4 ALA CB C 13 17.948 0.30 . 1 . . . . 10 ALA CB . 17050 1 28 . 1 1 4 4 ALA N N 15 127.751 0.30 . 1 . . . . 10 ALA N . 17050 1 29 . 1 1 5 5 PRO HA H 1 4.647 0.03 . 1 . . . . 11 PRO HA . 17050 1 30 . 1 1 5 5 PRO HD2 H 1 3.780 0.03 . 2 . . . . 11 PRO HD1 . 17050 1 31 . 1 1 5 5 PRO HD3 H 1 3.640 0.03 . 2 . . . . 11 PRO HD2 . 17050 1 32 . 1 1 5 5 PRO HG2 H 1 2.014 0.03 . 2 . . . . 11 PRO HG1 . 17050 1 33 . 1 1 5 5 PRO HG3 H 1 2.014 0.03 . 2 . . . . 11 PRO HG2 . 17050 1 34 . 1 1 5 5 PRO CA C 13 61.093 0.30 . 1 . . . . 11 PRO CA . 17050 1 35 . 1 1 5 5 PRO CD C 13 50.180 0.30 . 1 . . . . 11 PRO CD . 17050 1 36 . 1 1 5 5 PRO CG C 13 27.085 0.30 . 1 . . . . 11 PRO CG . 17050 1 37 . 1 1 6 6 PRO HA H 1 4.439 0.03 . 1 . . . . 12 PRO HA . 17050 1 38 . 1 1 6 6 PRO HB2 H 1 1.865 0.03 . 2 . . . . 12 PRO HB1 . 17050 1 39 . 1 1 6 6 PRO HB3 H 1 2.237 0.03 . 2 . . . . 12 PRO HB2 . 17050 1 40 . 1 1 6 6 PRO HD2 H 1 3.589 0.03 . 2 . . . . 12 PRO HD1 . 17050 1 41 . 1 1 6 6 PRO HD3 H 1 3.758 0.03 . 2 . . . . 12 PRO HD2 . 17050 1 42 . 1 1 6 6 PRO HG2 H 1 1.919 0.03 . 2 . . . . 12 PRO HG1 . 17050 1 43 . 1 1 6 6 PRO HG3 H 1 1.919 0.03 . 2 . . . . 12 PRO HG2 . 17050 1 44 . 1 1 6 6 PRO CA C 13 62.718 0.30 . 1 . . . . 12 PRO CA . 17050 1 45 . 1 1 6 6 PRO CB C 13 31.907 0.30 . 1 . . . . 12 PRO CB . 17050 1 46 . 1 1 6 6 PRO CD C 13 49.926 0.30 . 1 . . . . 12 PRO CD . 17050 1 47 . 1 1 6 6 PRO CG C 13 27.342 0.30 . 1 . . . . 12 PRO CG . 17050 1 48 . 1 1 7 7 VAL H H 1 8.140 0.03 . 1 . . . . 13 VAL HN . 17050 1 49 . 1 1 7 7 VAL HA H 1 4.028 0.03 . 1 . . . . 13 VAL HA . 17050 1 50 . 1 1 7 7 VAL HB H 1 2.003 0.03 . 1 . . . . 13 VAL HB . 17050 1 51 . 1 1 7 7 VAL HG21 H 1 0.909 0.03 . 2 . . . . 13 VAL HG21 . 17050 1 52 . 1 1 7 7 VAL HG22 H 1 0.909 0.03 . 2 . . . . 13 VAL HG21 . 17050 1 53 . 1 1 7 7 VAL HG23 H 1 0.909 0.03 . 2 . . . . 13 VAL HG21 . 17050 1 54 . 1 1 7 7 VAL CA C 13 61.855 0.30 . 1 . . . . 13 VAL CA . 17050 1 55 . 1 1 7 7 VAL CB C 13 32.668 0.30 . 1 . . . . 13 VAL CB . 17050 1 56 . 1 1 7 7 VAL CG2 C 13 20.990 0.30 . 1 . . . . 13 VAL CG2 . 17050 1 57 . 1 1 7 7 VAL N N 15 120.600 0.30 . 1 . . . . 13 VAL N . 17050 1 58 . 1 1 8 8 ALA H H 1 8.336 0.03 . 1 . . . . 14 ALA HN . 17050 1 59 . 1 1 8 8 ALA HA H 1 4.307 0.03 . 1 . . . . 14 ALA HA . 17050 1 60 . 1 1 8 8 ALA HB1 H 1 1.349 0.03 . 1 . . . . 14 ALA HB1 . 17050 1 61 . 1 1 8 8 ALA HB2 H 1 1.349 0.03 . 1 . . . . 14 ALA HB1 . 17050 1 62 . 1 1 8 8 ALA HB3 H 1 1.349 0.03 . 1 . . . . 14 ALA HB1 . 17050 1 63 . 1 1 8 8 ALA CA C 13 52.464 0.30 . 1 . . . . 14 ALA CA . 17050 1 64 . 1 1 8 8 ALA CB C 13 19.471 0.30 . 1 . . . . 14 ALA CB . 17050 1 65 . 1 1 8 8 ALA N N 15 128.439 0.30 . 1 . . . . 14 ALA N . 17050 1 66 . 1 1 9 9 ALA H H 1 8.276 0.03 . 1 . . . . 15 ALA HN . 17050 1 67 . 1 1 9 9 ALA HA H 1 4.567 0.03 . 1 . . . . 15 ALA HA . 17050 1 68 . 1 1 9 9 ALA HB1 H 1 1.353 0.03 . 1 . . . . 15 ALA HB1 . 17050 1 69 . 1 1 9 9 ALA HB2 H 1 1.353 0.03 . 1 . . . . 15 ALA HB1 . 17050 1 70 . 1 1 9 9 ALA HB3 H 1 1.353 0.03 . 1 . . . . 15 ALA HB1 . 17050 1 71 . 1 1 9 9 ALA CA C 13 50.180 0.30 . 1 . . . . 15 ALA CA . 17050 1 72 . 1 1 9 9 ALA CB C 13 17.948 0.30 . 1 . . . . 15 ALA CB . 17050 1 73 . 1 1 9 9 ALA N N 15 125.457 0.30 . 1 . . . . 15 ALA N . 17050 1 74 . 1 1 10 10 PRO HA H 1 4.436 0.03 . 1 . . . . 16 PRO HA . 17050 1 75 . 1 1 10 10 PRO HB2 H 1 2.280 0.03 . 2 . . . . 16 PRO HB1 . 17050 1 76 . 1 1 10 10 PRO HB3 H 1 2.280 0.03 . 2 . . . . 16 PRO HB2 . 17050 1 77 . 1 1 10 10 PRO HD2 H 1 3.671 0.03 . 2 . . . . 16 PRO HD1 . 17050 1 78 . 1 1 10 10 PRO HD3 H 1 3.594 0.03 . 2 . . . . 16 PRO HD2 . 17050 1 79 . 1 1 10 10 PRO HG2 H 1 1.919 0.03 . 2 . . . . 16 PRO HG1 . 17050 1 80 . 1 1 10 10 PRO HG3 H 1 1.919 0.03 . 2 . . . . 16 PRO HG2 . 17050 1 81 . 1 1 10 10 PRO CA C 13 62.825 0.30 . 1 . . . . 16 PRO CA . 17050 1 82 . 1 1 10 10 PRO CB C 13 32.055 0.30 . 1 . . . . 16 PRO CB . 17050 1 83 . 1 1 10 10 PRO CD C 13 50.424 0.30 . 1 . . . . 16 PRO CD . 17050 1 84 . 1 1 10 10 PRO CG C 13 27.386 0.30 . 1 . . . . 16 PRO CG . 17050 1 85 . 1 1 11 11 SER H H 1 8.441 0.03 . 1 . . . . 17 SER HN . 17050 1 86 . 1 1 11 11 SER HA H 1 4.450 0.03 . 1 . . . . 17 SER HA . 17050 1 87 . 1 1 11 11 SER HB2 H 1 3.734 0.03 . 2 . . . . 17 SER HB1 . 17050 1 88 . 1 1 11 11 SER HB3 H 1 3.848 0.03 . 2 . . . . 17 SER HB2 . 17050 1 89 . 1 1 11 11 SER CA C 13 56.411 0.30 . 1 . . . . 17 SER CA . 17050 1 90 . 1 1 11 11 SER CB C 13 63.594 0.30 . 1 . . . . 17 SER CB . 17050 1 91 . 1 1 11 11 SER N N 15 117.888 0.30 . 1 . . . . 17 SER N . 17050 1 92 . 1 1 12 12 PRO HA H 1 4.431 0.03 . 1 . . . . 18 PRO HA . 17050 1 93 . 1 1 12 12 PRO HB2 H 1 1.898 0.03 . 2 . . . . 18 PRO HB1 . 17050 1 94 . 1 1 12 12 PRO HB3 H 1 2.289 0.03 . 2 . . . . 18 PRO HB2 . 17050 1 95 . 1 1 12 12 PRO HD2 H 1 3.709 0.03 . 2 . . . . 18 PRO HD1 . 17050 1 96 . 1 1 12 12 PRO HD3 H 1 3.815 0.03 . 2 . . . . 18 PRO HD2 . 17050 1 97 . 1 1 12 12 PRO HG2 H 1 1.919 0.03 . 2 . . . . 18 PRO HG1 . 17050 1 98 . 1 1 12 12 PRO HG3 H 1 1.919 0.03 . 2 . . . . 18 PRO HG2 . 17050 1 99 . 1 1 12 12 PRO CA C 13 63.131 0.30 . 1 . . . . 18 PRO CA . 17050 1 100 . 1 1 12 12 PRO CB C 13 31.907 0.30 . 1 . . . . 18 PRO CB . 17050 1 101 . 1 1 12 12 PRO CD C 13 50.666 0.30 . 1 . . . . 18 PRO CD . 17050 1 102 . 1 1 12 12 PRO CG C 13 27.352 0.30 . 1 . . . . 18 PRO CG . 17050 1 103 . 1 1 13 13 ALA H H 1 8.330 0.03 . 1 . . . . 19 ALA HN . 17050 1 104 . 1 1 13 13 ALA HA H 1 4.309 0.03 . 1 . . . . 19 ALA HA . 17050 1 105 . 1 1 13 13 ALA HB1 H 1 1.352 0.03 . 1 . . . . 19 ALA HB1 . 17050 1 106 . 1 1 13 13 ALA HB2 H 1 1.352 0.03 . 1 . . . . 19 ALA HB1 . 17050 1 107 . 1 1 13 13 ALA HB3 H 1 1.352 0.03 . 1 . . . . 19 ALA HB1 . 17050 1 108 . 1 1 13 13 ALA CA C 13 52.464 0.30 . 1 . . . . 19 ALA CA . 17050 1 109 . 1 1 13 13 ALA CB C 13 19.471 0.30 . 1 . . . . 19 ALA CB . 17050 1 110 . 1 1 13 13 ALA N N 15 124.811 0.30 . 1 . . . . 19 ALA N . 17050 1 111 . 1 1 14 14 VAL H H 1 8.076 0.03 . 1 . . . . 20 VAL HN . 17050 1 112 . 1 1 14 14 VAL HA H 1 4.064 0.03 . 1 . . . . 20 VAL HA . 17050 1 113 . 1 1 14 14 VAL HB H 1 1.922 0.03 . 1 . . . . 20 VAL HB . 17050 1 114 . 1 1 14 14 VAL HG11 H 1 0.838 0.03 . 2 . . . . 20 VAL HG11 . 17050 1 115 . 1 1 14 14 VAL HG12 H 1 0.838 0.03 . 2 . . . . 20 VAL HG11 . 17050 1 116 . 1 1 14 14 VAL HG13 H 1 0.838 0.03 . 2 . . . . 20 VAL HG11 . 17050 1 117 . 1 1 14 14 VAL HG21 H 1 0.696 0.03 . 2 . . . . 20 VAL HG21 . 17050 1 118 . 1 1 14 14 VAL HG22 H 1 0.696 0.03 . 2 . . . . 20 VAL HG21 . 17050 1 119 . 1 1 14 14 VAL HG23 H 1 0.696 0.03 . 2 . . . . 20 VAL HG21 . 17050 1 120 . 1 1 14 14 VAL CA C 13 61.600 0.30 . 1 . . . . 20 VAL CA . 17050 1 121 . 1 1 14 14 VAL CB C 13 32.922 0.30 . 1 . . . . 20 VAL CB . 17050 1 122 . 1 1 14 14 VAL CG1 C 13 20.490 0.30 . 1 . . . . 20 VAL CG1 . 17050 1 123 . 1 1 14 14 VAL CG2 C 13 21.250 0.30 . 1 . . . . 20 VAL CG2 . 17050 1 124 . 1 1 14 14 VAL N N 15 120.317 0.30 . 1 . . . . 20 VAL N . 17050 1 125 . 1 1 15 15 THR H H 1 7.977 0.03 . 1 . . . . 21 THR HN . 17050 1 126 . 1 1 15 15 THR HA H 1 4.439 0.03 . 1 . . . . 21 THR HA . 17050 1 127 . 1 1 15 15 THR HB H 1 4.106 0.03 . 1 . . . . 21 THR HB . 17050 1 128 . 1 1 15 15 THR HG21 H 1 1.116 0.03 . 1 . . . . 21 THR HG21 . 17050 1 129 . 1 1 15 15 THR HG22 H 1 1.116 0.03 . 1 . . . . 21 THR HG21 . 17050 1 130 . 1 1 15 15 THR HG23 H 1 1.116 0.03 . 1 . . . . 21 THR HG21 . 17050 1 131 . 1 1 15 15 THR CA C 13 60.330 0.30 . 1 . . . . 21 THR CA . 17050 1 132 . 1 1 15 15 THR CB C 13 70.483 0.30 . 1 . . . . 21 THR CB . 17050 1 133 . 1 1 15 15 THR CG2 C 13 21.502 0.30 . 1 . . . . 21 THR CG2 . 17050 1 134 . 1 1 15 15 THR N N 15 118.117 0.30 . 1 . . . . 21 THR N . 17050 1 135 . 1 1 16 16 TYR H H 1 8.000 0.03 . 1 . . . . 22 TYR HN . 17050 1 136 . 1 1 16 16 TYR HA H 1 4.722 0.03 . 1 . . . . 22 TYR HA . 17050 1 137 . 1 1 16 16 TYR HB2 H 1 2.061 0.03 . 2 . . . . 22 TYR HB1 . 17050 1 138 . 1 1 16 16 TYR HB3 H 1 2.500 0.03 . 2 . . . . 22 TYR HB2 . 17050 1 139 . 1 1 16 16 TYR HD1 H 1 6.781 0.03 . 3 . . . . 22 TYR HD1 . 17050 1 140 . 1 1 16 16 TYR HE1 H 1 6.414 0.03 . 3 . . . . 22 TYR HE1 . 17050 1 141 . 1 1 16 16 TYR CA C 13 56.779 0.30 . 1 . . . . 22 TYR CA . 17050 1 142 . 1 1 16 16 TYR CB C 13 41.551 0.30 . 1 . . . . 22 TYR CB . 17050 1 143 . 1 1 16 16 TYR CD1 C 13 133.137 0.30 . 3 . . . . 22 TYR CD1 . 17050 1 144 . 1 1 16 16 TYR CE1 C 13 117.113 0.30 . 3 . . . . 22 TYR CE1 . 17050 1 145 . 1 1 16 16 TYR N N 15 120.745 0.30 . 1 . . . . 22 TYR N . 17050 1 146 . 1 1 17 17 ALA H H 1 8.796 0.03 . 1 . . . . 23 ALA HN . 17050 1 147 . 1 1 17 17 ALA HA H 1 4.726 0.03 . 1 . . . . 23 ALA HA . 17050 1 148 . 1 1 17 17 ALA HB1 H 1 1.380 0.03 . 1 . . . . 23 ALA HB1 . 17050 1 149 . 1 1 17 17 ALA HB2 H 1 1.380 0.03 . 1 . . . . 23 ALA HB1 . 17050 1 150 . 1 1 17 17 ALA HB3 H 1 1.380 0.03 . 1 . . . . 23 ALA HB1 . 17050 1 151 . 1 1 17 17 ALA CA C 13 49.670 0.30 . 1 . . . . 23 ALA CA . 17050 1 152 . 1 1 17 17 ALA CB C 13 22.200 0.30 . 1 . . . . 23 ALA CB . 17050 1 153 . 1 1 17 17 ALA N N 15 125.241 0.30 . 1 . . . . 23 ALA N . 17050 1 154 . 1 1 18 18 LEU H H 1 8.155 0.03 . 1 . . . . 24 LEU HN . 17050 1 155 . 1 1 18 18 LEU HA H 1 3.769 0.03 . 1 . . . . 24 LEU HA . 17050 1 156 . 1 1 18 18 LEU HB2 H 1 1.420 0.03 . 2 . . . . 24 LEU HB1 . 17050 1 157 . 1 1 18 18 LEU HB3 H 1 1.705 0.03 . 2 . . . . 24 LEU HB2 . 17050 1 158 . 1 1 18 18 LEU HD11 H 1 0.795 0.03 . 2 . . . . 24 LEU HD11 . 17050 1 159 . 1 1 18 18 LEU HD12 H 1 0.795 0.03 . 2 . . . . 24 LEU HD11 . 17050 1 160 . 1 1 18 18 LEU HD13 H 1 0.795 0.03 . 2 . . . . 24 LEU HD11 . 17050 1 161 . 1 1 18 18 LEU HD21 H 1 0.958 0.03 . 2 . . . . 24 LEU HD21 . 17050 1 162 . 1 1 18 18 LEU HD22 H 1 0.958 0.03 . 2 . . . . 24 LEU HD21 . 17050 1 163 . 1 1 18 18 LEU HD23 H 1 0.958 0.03 . 2 . . . . 24 LEU HD21 . 17050 1 164 . 1 1 18 18 LEU HG H 1 1.757 0.03 . 1 . . . . 24 LEU HG . 17050 1 165 . 1 1 18 18 LEU CA C 13 56.525 0.30 . 1 . . . . 24 LEU CA . 17050 1 166 . 1 1 18 18 LEU CB C 13 41.297 0.30 . 1 . . . . 24 LEU CB . 17050 1 167 . 1 1 18 18 LEU CD1 C 13 23.024 0.30 . 2 . . . . 24 LEU CD1 . 17050 1 168 . 1 1 18 18 LEU CD2 C 13 25.055 0.30 . 2 . . . . 24 LEU CD2 . 17050 1 169 . 1 1 18 18 LEU CG C 13 27.014 0.30 . 1 . . . . 24 LEU CG . 17050 1 170 . 1 1 18 18 LEU N N 15 117.534 0.30 . 1 . . . . 24 LEU N . 17050 1 171 . 1 1 19 19 GLN H H 1 8.943 0.03 . 1 . . . . 25 GLN HN . 17050 1 172 . 1 1 19 19 GLN HA H 1 3.636 0.03 . 1 . . . . 25 GLN HA . 17050 1 173 . 1 1 19 19 GLN HB2 H 1 2.352 0.03 . 2 . . . . 25 GLN HB1 . 17050 1 174 . 1 1 19 19 GLN HB3 H 1 2.352 0.03 . 2 . . . . 25 GLN HB2 . 17050 1 175 . 1 1 19 19 GLN HE21 H 1 6.677 0.03 . 2 . . . . 25 GLN HE21 . 17050 1 176 . 1 1 19 19 GLN HE22 H 1 7.553 0.03 . 2 . . . . 25 GLN HE22 . 17050 1 177 . 1 1 19 19 GLN HG2 H 1 2.218 0.03 . 2 . . . . 25 GLN HG1 . 17050 1 178 . 1 1 19 19 GLN HG3 H 1 2.360 0.03 . 2 . . . . 25 GLN HG2 . 17050 1 179 . 1 1 19 19 GLN CA C 13 57.286 0.30 . 1 . . . . 25 GLN CA . 17050 1 180 . 1 1 19 19 GLN CB C 13 25.308 0.30 . 1 . . . . 25 GLN CB . 17050 1 181 . 1 1 19 19 GLN CG C 13 33.940 0.30 . 1 . . . . 25 GLN CG . 17050 1 182 . 1 1 19 19 GLN N N 15 115.179 0.30 . 1 . . . . 25 GLN N . 17050 1 183 . 1 1 19 19 GLN NE2 N 15 111.341 0.30 . 1 . . . . 25 GLN NE2 . 17050 1 184 . 1 1 20 20 GLU H H 1 7.749 0.03 . 1 . . . . 26 GLU HN . 17050 1 185 . 1 1 20 20 GLU HA H 1 4.184 0.03 . 1 . . . . 26 GLU HA . 17050 1 186 . 1 1 20 20 GLU HB2 H 1 2.067 0.03 . 2 . . . . 26 GLU HB1 . 17050 1 187 . 1 1 20 20 GLU HB3 H 1 2.228 0.03 . 2 . . . . 26 GLU HB2 . 17050 1 188 . 1 1 20 20 GLU HG2 H 1 2.341 0.03 . 2 . . . . 26 GLU HG1 . 17050 1 189 . 1 1 20 20 GLU HG3 H 1 2.341 0.03 . 2 . . . . 26 GLU HG2 . 17050 1 190 . 1 1 20 20 GLU CA C 13 56.531 0.30 . 1 . . . . 26 GLU CA . 17050 1 191 . 1 1 20 20 GLU CB C 13 32.415 0.30 . 1 . . . . 26 GLU CB . 17050 1 192 . 1 1 20 20 GLU CG C 13 35.714 0.30 . 1 . . . . 26 GLU CG . 17050 1 193 . 1 1 20 20 GLU N N 15 122.886 0.30 . 1 . . . . 26 GLU N . 17050 1 194 . 1 1 21 21 ASP H H 1 8.230 0.03 . 1 . . . . 27 ASP HN . 17050 1 195 . 1 1 21 21 ASP HA H 1 5.465 0.03 . 1 . . . . 27 ASP HA . 17050 1 196 . 1 1 21 21 ASP HB2 H 1 2.423 0.03 . 2 . . . . 27 ASP HB1 . 17050 1 197 . 1 1 21 21 ASP HB3 H 1 2.505 0.03 . 2 . . . . 27 ASP HB2 . 17050 1 198 . 1 1 21 21 ASP CA C 13 53.733 0.30 . 1 . . . . 27 ASP CA . 17050 1 199 . 1 1 21 21 ASP CB C 13 41.044 0.30 . 1 . . . . 27 ASP CB . 17050 1 200 . 1 1 21 21 ASP N N 15 127.168 0.30 . 1 . . . . 27 ASP N . 17050 1 201 . 1 1 22 22 VAL H H 1 8.965 0.03 . 1 . . . . 28 VAL HN . 17050 1 202 . 1 1 22 22 VAL HA H 1 4.579 0.03 . 1 . . . . 28 VAL HA . 17050 1 203 . 1 1 22 22 VAL HB H 1 2.182 0.03 . 1 . . . . 28 VAL HB . 17050 1 204 . 1 1 22 22 VAL HG11 H 1 0.360 0.03 . 2 . . . . 28 VAL HG11 . 17050 1 205 . 1 1 22 22 VAL HG12 H 1 0.360 0.03 . 2 . . . . 28 VAL HG11 . 17050 1 206 . 1 1 22 22 VAL HG13 H 1 0.360 0.03 . 2 . . . . 28 VAL HG11 . 17050 1 207 . 1 1 22 22 VAL HG21 H 1 0.772 0.03 . 2 . . . . 28 VAL HG21 . 17050 1 208 . 1 1 22 22 VAL HG22 H 1 0.772 0.03 . 2 . . . . 28 VAL HG21 . 17050 1 209 . 1 1 22 22 VAL HG23 H 1 0.772 0.03 . 2 . . . . 28 VAL HG21 . 17050 1 210 . 1 1 22 22 VAL CA C 13 59.317 0.30 . 1 . . . . 28 VAL CA . 17050 1 211 . 1 1 22 22 VAL CB C 13 35.968 0.30 . 1 . . . . 28 VAL CB . 17050 1 212 . 1 1 22 22 VAL CG1 C 13 18.202 0.30 . 2 . . . . 28 VAL CG1 . 17050 1 213 . 1 1 22 22 VAL CG2 C 13 23.786 0.30 . 2 . . . . 28 VAL CG2 . 17050 1 214 . 1 1 22 22 VAL N N 15 115.821 0.30 . 1 . . . . 28 VAL N . 17050 1 215 . 1 1 23 23 PHE H H 1 8.388 0.03 . 1 . . . . 29 PHE HN . 17050 1 216 . 1 1 23 23 PHE HA H 1 5.584 0.03 . 1 . . . . 29 PHE HA . 17050 1 217 . 1 1 23 23 PHE HB2 H 1 2.714 0.03 . 2 . . . . 29 PHE HB1 . 17050 1 218 . 1 1 23 23 PHE HB3 H 1 2.926 0.03 . 2 . . . . 29 PHE HB2 . 17050 1 219 . 1 1 23 23 PHE HD1 H 1 6.875 0.03 . 3 . . . . 29 PHE HD1 . 17050 1 220 . 1 1 23 23 PHE HE1 H 1 7.232 0.03 . 3 . . . . 29 PHE HE1 . 17050 1 221 . 1 1 23 23 PHE HZ H 1 7.132 0.03 . 1 . . . . 29 PHE HZ . 17050 1 222 . 1 1 23 23 PHE CA C 13 56.525 0.30 . 1 . . . . 29 PHE CA . 17050 1 223 . 1 1 23 23 PHE CB C 13 42.059 0.30 . 1 . . . . 29 PHE CB . 17050 1 224 . 1 1 23 23 PHE CD1 C 13 130.670 0.30 . 3 . . . . 29 PHE CD1 . 17050 1 225 . 1 1 23 23 PHE CE1 C 13 131.900 0.30 . 3 . . . . 29 PHE CE1 . 17050 1 226 . 1 1 23 23 PHE CZ C 13 129.440 0.30 . 1 . . . . 29 PHE CZ . 17050 1 227 . 1 1 23 23 PHE N N 15 116.678 0.30 . 1 . . . . 29 PHE N . 17050 1 228 . 1 1 24 24 ILE H H 1 9.482 0.03 . 1 . . . . 30 ILE HN . 17050 1 229 . 1 1 24 24 ILE HA H 1 5.037 0.03 . 1 . . . . 30 ILE HA . 17050 1 230 . 1 1 24 24 ILE HB H 1 1.915 0.03 . 1 . . . . 30 ILE HB . 17050 1 231 . 1 1 24 24 ILE HD11 H 1 0.650 0.03 . 1 . . . . 30 ILE HD11 . 17050 1 232 . 1 1 24 24 ILE HD12 H 1 0.650 0.03 . 1 . . . . 30 ILE HD11 . 17050 1 233 . 1 1 24 24 ILE HD13 H 1 0.650 0.03 . 1 . . . . 30 ILE HD11 . 17050 1 234 . 1 1 24 24 ILE HG12 H 1 1.191 0.03 . 1 . . . . 30 ILE HG11 . 17050 1 235 . 1 1 24 24 ILE HG13 H 1 1.294 0.03 . 1 . . . . 30 ILE HG12 . 17050 1 236 . 1 1 24 24 ILE HG21 H 1 0.961 0.03 . 1 . . . . 30 ILE HG21 . 17050 1 237 . 1 1 24 24 ILE HG22 H 1 0.961 0.03 . 1 . . . . 30 ILE HG21 . 17050 1 238 . 1 1 24 24 ILE HG23 H 1 0.961 0.03 . 1 . . . . 30 ILE HG21 . 17050 1 239 . 1 1 24 24 ILE CA C 13 58.809 0.30 . 1 . . . . 30 ILE CA . 17050 1 240 . 1 1 24 24 ILE CB C 13 40.790 0.30 . 1 . . . . 30 ILE CB . 17050 1 241 . 1 1 24 24 ILE CD1 C 13 15.664 0.30 . 1 . . . . 30 ILE CD1 . 17050 1 242 . 1 1 24 24 ILE CG1 C 13 28.608 0.30 . 1 . . . . 30 ILE CG1 . 17050 1 243 . 1 1 24 24 ILE CG2 C 13 19.725 0.30 . 1 . . . . 30 ILE CG2 . 17050 1 244 . 1 1 24 24 ILE N N 15 119.247 0.30 . 1 . . . . 30 ILE N . 17050 1 245 . 1 1 25 25 LYS H H 1 9.189 0.03 . 1 . . . . 31 LYS HN . 17050 1 246 . 1 1 25 25 LYS HA H 1 3.983 0.03 . 1 . . . . 31 LYS HA . 17050 1 247 . 1 1 25 25 LYS HB2 H 1 1.272 0.03 . 2 . . . . 31 LYS HB1 . 17050 1 248 . 1 1 25 25 LYS HB3 H 1 1.693 0.03 . 2 . . . . 31 LYS HB2 . 17050 1 249 . 1 1 25 25 LYS HD2 H 1 1.436 0.03 . 2 . . . . 31 LYS HD1 . 17050 1 250 . 1 1 25 25 LYS HD3 H 1 1.436 0.03 . 2 . . . . 31 LYS HD2 . 17050 1 251 . 1 1 25 25 LYS HE2 H 1 2.756 0.03 . 2 . . . . 31 LYS HE1 . 17050 1 252 . 1 1 25 25 LYS HE3 H 1 2.705 0.03 . 2 . . . . 31 LYS HE2 . 17050 1 253 . 1 1 25 25 LYS HG2 H 1 0.540 0.03 . 2 . . . . 31 LYS HG1 . 17050 1 254 . 1 1 25 25 LYS HG3 H 1 1.144 0.03 . 2 . . . . 31 LYS HG2 . 17050 1 255 . 1 1 25 25 LYS CA C 13 55.763 0.30 . 1 . . . . 31 LYS CA . 17050 1 256 . 1 1 25 25 LYS CB C 13 32.188 0.30 . 1 . . . . 31 LYS CB . 17050 1 257 . 1 1 25 25 LYS CD C 13 29.115 0.30 . 1 . . . . 31 LYS CD . 17050 1 258 . 1 1 25 25 LYS CE C 13 41.551 0.30 . 1 . . . . 31 LYS CE . 17050 1 259 . 1 1 25 25 LYS CG C 13 24.547 0.30 . 1 . . . . 31 LYS CG . 17050 1 260 . 1 1 25 25 LYS N N 15 129.095 0.30 . 1 . . . . 31 LYS N . 17050 1 261 . 1 1 26 26 CYS H H 1 8.406 0.03 . 1 . . . . 32 CYS HN . 17050 1 262 . 1 1 26 26 CYS HA H 1 4.706 0.03 . 1 . . . . 32 CYS HA . 17050 1 263 . 1 1 26 26 CYS HB2 H 1 3.088 0.03 . 2 . . . . 32 CYS HB1 . 17050 1 264 . 1 1 26 26 CYS HB3 H 1 2.967 0.03 . 2 . . . . 32 CYS HB2 . 17050 1 265 . 1 1 26 26 CYS CA C 13 59.100 0.30 . 1 . . . . 32 CYS CA . 17050 1 266 . 1 1 26 26 CYS CB C 13 29.370 0.30 . 1 . . . . 32 CYS CB . 17050 1 267 . 1 1 26 26 CYS N N 15 125.884 0.30 . 1 . . . . 32 CYS N . 17050 1 268 . 1 1 27 27 ASN HA H 1 4.385 0.03 . 1 . . . . 33 ASN HA . 17050 1 269 . 1 1 27 27 ASN HB2 H 1 2.856 0.03 . 2 . . . . 33 ASN HB1 . 17050 1 270 . 1 1 27 27 ASN HB3 H 1 2.856 0.03 . 2 . . . . 33 ASN HB2 . 17050 1 271 . 1 1 27 27 ASN HD21 H 1 6.986 0.03 . 2 . . . . 33 ASN HD21 . 17050 1 272 . 1 1 27 27 ASN HD22 H 1 7.605 0.03 . 2 . . . . 33 ASN HD22 . 17050 1 273 . 1 1 27 27 ASN CA C 13 55.510 0.30 . 1 . . . . 33 ASN CA . 17050 1 274 . 1 1 27 27 ASN CB C 13 37.744 0.30 . 1 . . . . 33 ASN CB . 17050 1 275 . 1 1 27 27 ASN ND2 N 15 112.663 0.30 . 1 . . . . 33 ASN ND2 . 17050 1 276 . 1 1 28 28 ASP H H 1 8.045 0.03 . 1 . . . . 34 ASP HN . 17050 1 277 . 1 1 28 28 ASP HA H 1 4.432 0.03 . 1 . . . . 34 ASP HA . 17050 1 278 . 1 1 28 28 ASP HB2 H 1 2.602 0.03 . 2 . . . . 34 ASP HB1 . 17050 1 279 . 1 1 28 28 ASP HB3 H 1 2.967 0.03 . 2 . . . . 34 ASP HB2 . 17050 1 280 . 1 1 28 28 ASP CA C 13 53.479 0.30 . 1 . . . . 34 ASP CA . 17050 1 281 . 1 1 28 28 ASP CB C 13 39.521 0.30 . 1 . . . . 34 ASP CB . 17050 1 282 . 1 1 28 28 ASP N N 15 117.962 0.30 . 1 . . . . 34 ASP N . 17050 1 283 . 1 1 29 29 GLY H H 1 8.238 0.03 . 1 . . . . 35 GLY HN . 17050 1 284 . 1 1 29 29 GLY HA2 H 1 3.452 0.03 . 2 . . . . 35 GLY HA1 . 17050 1 285 . 1 1 29 29 GLY HA3 H 1 4.173 0.03 . 2 . . . . 35 GLY HA2 . 17050 1 286 . 1 1 29 29 GLY CA C 13 45.104 0.30 . 1 . . . . 35 GLY CA . 17050 1 287 . 1 1 29 29 GLY N N 15 108.328 0.30 . 1 . . . . 35 GLY N . 17050 1 288 . 1 1 30 30 ARG H H 1 7.830 0.03 . 1 . . . . 36 ARG HN . 17050 1 289 . 1 1 30 30 ARG HA H 1 4.343 0.03 . 1 . . . . 36 ARG HA . 17050 1 290 . 1 1 30 30 ARG HB2 H 1 1.875 0.03 . 2 . . . . 36 ARG HB1 . 17050 1 291 . 1 1 30 30 ARG HB3 H 1 1.498 0.03 . 2 . . . . 36 ARG HB2 . 17050 1 292 . 1 1 30 30 ARG HD2 H 1 3.024 0.03 . 2 . . . . 36 ARG HD1 . 17050 1 293 . 1 1 30 30 ARG HD3 H 1 3.024 0.03 . 2 . . . . 36 ARG HD2 . 17050 1 294 . 1 1 30 30 ARG HG2 H 1 1.374 0.03 . 2 . . . . 36 ARG HG1 . 17050 1 295 . 1 1 30 30 ARG HG3 H 1 1.374 0.03 . 2 . . . . 36 ARG HG2 . 17050 1 296 . 1 1 30 30 ARG CA C 13 55.002 0.30 . 1 . . . . 36 ARG CA . 17050 1 297 . 1 1 30 30 ARG CB C 13 31.399 0.30 . 1 . . . . 36 ARG CB . 17050 1 298 . 1 1 30 30 ARG CD C 13 43.328 0.30 . 1 . . . . 36 ARG CD . 17050 1 299 . 1 1 30 30 ARG CG C 13 27.593 0.30 . 1 . . . . 36 ARG CG . 17050 1 300 . 1 1 30 30 ARG N N 15 120.960 0.30 . 1 . . . . 36 ARG N . 17050 1 301 . 1 1 31 31 PHE H H 1 8.194 0.03 . 1 . . . . 37 PHE HN . 17050 1 302 . 1 1 31 31 PHE HA H 1 5.412 0.03 . 1 . . . . 37 PHE HA . 17050 1 303 . 1 1 31 31 PHE HB2 H 1 2.528 0.03 . 2 . . . . 37 PHE HB1 . 17050 1 304 . 1 1 31 31 PHE HB3 H 1 2.564 0.03 . 2 . . . . 37 PHE HB2 . 17050 1 305 . 1 1 31 31 PHE HD1 H 1 6.987 0.03 . 3 . . . . 37 PHE HD1 . 17050 1 306 . 1 1 31 31 PHE HE1 H 1 7.228 0.03 . 3 . . . . 37 PHE HE1 . 17050 1 307 . 1 1 31 31 PHE HZ H 1 7.233 0.03 . 1 . . . . 37 PHE HZ . 17050 1 308 . 1 1 31 31 PHE CA C 13 56.779 0.30 . 1 . . . . 37 PHE CA . 17050 1 309 . 1 1 31 31 PHE CB C 13 41.044 0.30 . 1 . . . . 37 PHE CB . 17050 1 310 . 1 1 31 31 PHE CD1 C 13 131.288 0.30 . 3 . . . . 37 PHE CD1 . 17050 1 311 . 1 1 31 31 PHE CE1 C 13 131.290 0.30 . 3 . . . . 37 PHE CE1 . 17050 1 312 . 1 1 31 31 PHE CZ C 13 129.440 0.30 . 1 . . . . 37 PHE CZ . 17050 1 313 . 1 1 31 31 PHE N N 15 117.534 0.30 . 1 . . . . 37 PHE N . 17050 1 314 . 1 1 32 32 TYR H H 1 9.176 0.03 . 1 . . . . 38 TYR HN . 17050 1 315 . 1 1 32 32 TYR HA H 1 4.896 0.03 . 1 . . . . 38 TYR HA . 17050 1 316 . 1 1 32 32 TYR HB2 H 1 2.764 0.03 . 2 . . . . 38 TYR HB1 . 17050 1 317 . 1 1 32 32 TYR HB3 H 1 3.228 0.03 . 2 . . . . 38 TYR HB2 . 17050 1 318 . 1 1 32 32 TYR HD1 H 1 7.156 0.03 . 3 . . . . 38 TYR HD1 . 17050 1 319 . 1 1 32 32 TYR HE1 H 1 6.996 0.03 . 3 . . . . 38 TYR HE1 . 17050 1 320 . 1 1 32 32 TYR CA C 13 56.525 0.30 . 1 . . . . 38 TYR CA . 17050 1 321 . 1 1 32 32 TYR CB C 13 41.805 0.30 . 1 . . . . 38 TYR CB . 17050 1 322 . 1 1 32 32 TYR CD1 C 13 133.750 0.30 . 3 . . . . 38 TYR CD1 . 17050 1 323 . 1 1 32 32 TYR CE1 C 13 117.730 0.30 . 3 . . . . 38 TYR CE1 . 17050 1 324 . 1 1 32 32 TYR N N 15 122.030 0.30 . 1 . . . . 38 TYR N . 17050 1 325 . 1 1 33 33 LEU H H 1 8.799 0.03 . 1 . . . . 39 LEU HN . 17050 1 326 . 1 1 33 33 LEU HA H 1 4.820 0.03 . 1 . . . . 39 LEU HA . 17050 1 327 . 1 1 33 33 LEU HB2 H 1 1.484 0.03 . 2 . . . . 39 LEU HB1 . 17050 1 328 . 1 1 33 33 LEU HB3 H 1 1.718 0.03 . 2 . . . . 39 LEU HB2 . 17050 1 329 . 1 1 33 33 LEU HD11 H 1 0.624 0.03 . 2 . . . . 39 LEU HD11 . 17050 1 330 . 1 1 33 33 LEU HD12 H 1 0.624 0.03 . 2 . . . . 39 LEU HD11 . 17050 1 331 . 1 1 33 33 LEU HD13 H 1 0.624 0.03 . 2 . . . . 39 LEU HD11 . 17050 1 332 . 1 1 33 33 LEU HD21 H 1 0.637 0.03 . 2 . . . . 39 LEU HD21 . 17050 1 333 . 1 1 33 33 LEU HD22 H 1 0.637 0.03 . 2 . . . . 39 LEU HD21 . 17050 1 334 . 1 1 33 33 LEU HD23 H 1 0.637 0.03 . 2 . . . . 39 LEU HD21 . 17050 1 335 . 1 1 33 33 LEU HG H 1 1.462 0.03 . 1 . . . . 39 LEU HG . 17050 1 336 . 1 1 33 33 LEU CA C 13 54.748 0.30 . 1 . . . . 39 LEU CA . 17050 1 337 . 1 1 33 33 LEU CB C 13 43.581 0.30 . 1 . . . . 39 LEU CB . 17050 1 338 . 1 1 33 33 LEU CD1 C 13 24.293 0.30 . 2 . . . . 39 LEU CD1 . 17050 1 339 . 1 1 33 33 LEU CD2 C 13 25.050 0.30 . 1 . . . . 39 LEU CD2 . 17050 1 340 . 1 1 33 33 LEU CG C 13 27.423 0.30 . 1 . . . . 39 LEU CG . 17050 1 341 . 1 1 33 33 LEU N N 15 124.813 0.30 . 1 . . . . 39 LEU N . 17050 1 342 . 1 1 34 34 GLY H H 1 8.860 0.03 . 1 . . . . 40 GLY HN . 17050 1 343 . 1 1 34 34 GLY HA2 H 1 3.066 0.03 . 2 . . . . 40 GLY HA1 . 17050 1 344 . 1 1 34 34 GLY HA3 H 1 4.488 0.03 . 2 . . . . 40 GLY HA2 . 17050 1 345 . 1 1 34 34 GLY CA C 13 44.860 0.30 . 1 . . . . 40 GLY CA . 17050 1 346 . 1 1 34 34 GLY N N 15 112.180 0.30 . 1 . . . . 40 GLY N . 17050 1 347 . 1 1 35 35 THR H H 1 8.108 0.03 . 1 . . . . 41 THR HN . 17050 1 348 . 1 1 35 35 THR HA H 1 5.051 0.03 . 1 . . . . 41 THR HA . 17050 1 349 . 1 1 35 35 THR HB H 1 3.392 0.03 . 1 . . . . 41 THR HB . 17050 1 350 . 1 1 35 35 THR HG21 H 1 0.933 0.03 . 1 . . . . 41 THR HG21 . 17050 1 351 . 1 1 35 35 THR HG22 H 1 0.933 0.03 . 1 . . . . 41 THR HG21 . 17050 1 352 . 1 1 35 35 THR HG23 H 1 0.933 0.03 . 1 . . . . 41 THR HG21 . 17050 1 353 . 1 1 35 35 THR CA C 13 61.098 0.30 . 1 . . . . 41 THR CA . 17050 1 354 . 1 1 35 35 THR CB C 13 72.006 0.30 . 1 . . . . 41 THR CB . 17050 1 355 . 1 1 35 35 THR CG2 C 13 21.248 0.30 . 1 . . . . 41 THR CG2 . 17050 1 356 . 1 1 35 35 THR N N 15 115.821 0.30 . 1 . . . . 41 THR N . 17050 1 357 . 1 1 36 36 ILE H H 1 8.425 0.03 . 1 . . . . 42 ILE HN . 17050 1 358 . 1 1 36 36 ILE HA H 1 4.107 0.03 . 1 . . . . 42 ILE HA . 17050 1 359 . 1 1 36 36 ILE HB H 1 2.092 0.03 . 1 . . . . 42 ILE HB . 17050 1 360 . 1 1 36 36 ILE HD11 H 1 0.409 0.03 . 1 . . . . 42 ILE HD11 . 17050 1 361 . 1 1 36 36 ILE HD12 H 1 0.409 0.03 . 1 . . . . 42 ILE HD11 . 17050 1 362 . 1 1 36 36 ILE HD13 H 1 0.409 0.03 . 1 . . . . 42 ILE HD11 . 17050 1 363 . 1 1 36 36 ILE HG12 H 1 1.574 0.03 . 9 . . . . 42 ILE HG11 . 17050 1 364 . 1 1 36 36 ILE HG13 H 1 0.547 0.03 . 9 . . . . 42 ILE HG12 . 17050 1 365 . 1 1 36 36 ILE HG21 H 1 0.938 0.03 . 1 . . . . 42 ILE HG21 . 17050 1 366 . 1 1 36 36 ILE HG22 H 1 0.938 0.03 . 1 . . . . 42 ILE HG21 . 17050 1 367 . 1 1 36 36 ILE HG23 H 1 0.938 0.03 . 1 . . . . 42 ILE HG21 . 17050 1 368 . 1 1 36 36 ILE CA C 13 62.362 0.30 . 1 . . . . 42 ILE CA . 17050 1 369 . 1 1 36 36 ILE CB C 13 37.998 0.30 . 1 . . . . 42 ILE CB . 17050 1 370 . 1 1 36 36 ILE CD1 C 13 14.649 0.30 . 1 . . . . 42 ILE CD1 . 17050 1 371 . 1 1 36 36 ILE CG1 C 13 28.100 0.30 . 1 . . . . 42 ILE CG1 . 17050 1 372 . 1 1 36 36 ILE CG2 C 13 18.964 0.30 . 1 . . . . 42 ILE CG2 . 17050 1 373 . 1 1 36 36 ILE N N 15 126.526 0.30 . 1 . . . . 42 ILE N . 17050 1 374 . 1 1 37 37 ILE H H 1 9.137 0.03 . 1 . . . . 43 ILE HN . 17050 1 375 . 1 1 37 37 ILE HA H 1 4.686 0.03 . 1 . . . . 43 ILE HA . 17050 1 376 . 1 1 37 37 ILE HB H 1 1.885 0.03 . 1 . . . . 43 ILE HB . 17050 1 377 . 1 1 37 37 ILE HD11 H 1 0.562 0.03 . 1 . . . . 43 ILE HD11 . 17050 1 378 . 1 1 37 37 ILE HD12 H 1 0.562 0.03 . 1 . . . . 43 ILE HD11 . 17050 1 379 . 1 1 37 37 ILE HD13 H 1 0.562 0.03 . 1 . . . . 43 ILE HD11 . 17050 1 380 . 1 1 37 37 ILE HG12 H 1 0.835 0.03 . 1 . . . . 43 ILE HG11 . 17050 1 381 . 1 1 37 37 ILE HG13 H 1 0.757 0.03 . 1 . . . . 43 ILE HG12 . 17050 1 382 . 1 1 37 37 ILE HG21 H 1 0.733 0.03 . 1 . . . . 43 ILE HG21 . 17050 1 383 . 1 1 37 37 ILE HG22 H 1 0.733 0.03 . 1 . . . . 43 ILE HG21 . 17050 1 384 . 1 1 37 37 ILE HG23 H 1 0.733 0.03 . 1 . . . . 43 ILE HG21 . 17050 1 385 . 1 1 37 37 ILE CA C 13 60.586 0.30 . 1 . . . . 43 ILE CA . 17050 1 386 . 1 1 37 37 ILE CB C 13 39.521 0.30 . 1 . . . . 43 ILE CB . 17050 1 387 . 1 1 37 37 ILE CD1 C 13 13.634 0.30 . 1 . . . . 43 ILE CD1 . 17050 1 388 . 1 1 37 37 ILE CG1 C 13 26.094 0.30 . 1 . . . . 43 ILE CG1 . 17050 1 389 . 1 1 37 37 ILE CG2 C 13 17.948 0.30 . 1 . . . . 43 ILE CG2 . 17050 1 390 . 1 1 37 37 ILE N N 15 122.448 0.30 . 1 . . . . 43 ILE N . 17050 1 391 . 1 1 38 38 ASP H H 1 7.970 0.03 . 1 . . . . 44 ASP HN . 17050 1 392 . 1 1 38 38 ASP HA H 1 4.767 0.03 . 1 . . . . 44 ASP HA . 17050 1 393 . 1 1 38 38 ASP HB2 H 1 2.428 0.03 . 2 . . . . 44 ASP HB1 . 17050 1 394 . 1 1 38 38 ASP HB3 H 1 2.653 0.03 . 2 . . . . 44 ASP HB2 . 17050 1 395 . 1 1 38 38 ASP CA C 13 53.226 0.30 . 1 . . . . 44 ASP CA . 17050 1 396 . 1 1 38 38 ASP CB C 13 43.581 0.30 . 1 . . . . 44 ASP CB . 17050 1 397 . 1 1 38 38 ASP N N 15 119.461 0.30 . 1 . . . . 44 ASP N . 17050 1 398 . 1 1 39 39 GLN H H 1 9.702 0.03 . 1 . . . . 45 GLN HN . 17050 1 399 . 1 1 39 39 GLN HA H 1 5.242 0.03 . 1 . . . . 45 GLN HA . 17050 1 400 . 1 1 39 39 GLN HB2 H 1 2.069 0.03 . 2 . . . . 45 GLN HB1 . 17050 1 401 . 1 1 39 39 GLN HB3 H 1 2.069 0.03 . 2 . . . . 45 GLN HB2 . 17050 1 402 . 1 1 39 39 GLN HE21 H 1 6.746 0.03 . 2 . . . . 45 GLN HE21 . 17050 1 403 . 1 1 39 39 GLN HE22 H 1 6.963 0.03 . 2 . . . . 45 GLN HE22 . 17050 1 404 . 1 1 39 39 GLN HG2 H 1 2.234 0.03 . 2 . . . . 45 GLN HG1 . 17050 1 405 . 1 1 39 39 GLN HG3 H 1 2.234 0.03 . 2 . . . . 45 GLN HG2 . 17050 1 406 . 1 1 39 39 GLN CA C 13 55.763 0.30 . 1 . . . . 45 GLN CA . 17050 1 407 . 1 1 39 39 GLN CB C 13 32.415 0.30 . 1 . . . . 45 GLN CB . 17050 1 408 . 1 1 39 39 GLN CG C 13 32.400 0.30 . 1 . . . . 45 GLN CG . 17050 1 409 . 1 1 39 39 GLN N N 15 118.819 0.30 . 1 . . . . 45 GLN N . 17050 1 410 . 1 1 39 39 GLN NE2 N 15 108.975 0.30 . 1 . . . . 45 GLN NE2 . 17050 1 411 . 1 1 40 40 THR H H 1 8.734 0.03 . 1 . . . . 46 THR HN . 17050 1 412 . 1 1 40 40 THR HA H 1 4.698 0.03 . 1 . . . . 46 THR HA . 17050 1 413 . 1 1 40 40 THR HB H 1 4.530 0.03 . 1 . . . . 46 THR HB . 17050 1 414 . 1 1 40 40 THR HG21 H 1 0.997 0.03 . 1 . . . . 46 THR HG21 . 17050 1 415 . 1 1 40 40 THR HG22 H 1 0.997 0.03 . 1 . . . . 46 THR HG21 . 17050 1 416 . 1 1 40 40 THR HG23 H 1 0.997 0.03 . 1 . . . . 46 THR HG21 . 17050 1 417 . 1 1 40 40 THR CA C 13 59.952 0.30 . 1 . . . . 46 THR CA . 17050 1 418 . 1 1 40 40 THR CB C 13 70.700 0.30 . 1 . . . . 46 THR CB . 17050 1 419 . 1 1 40 40 THR CG2 C 13 21.500 0.30 . 1 . . . . 46 THR CG2 . 17050 1 420 . 1 1 40 40 THR N N 15 115.821 0.30 . 1 . . . . 46 THR N . 17050 1 421 . 1 1 41 41 SER H H 1 8.616 0.03 . 1 . . . . 47 SER HN . 17050 1 422 . 1 1 41 41 SER HA H 1 4.139 0.03 . 1 . . . . 47 SER HA . 17050 1 423 . 1 1 41 41 SER HB2 H 1 3.876 0.03 . 2 . . . . 47 SER HB1 . 17050 1 424 . 1 1 41 41 SER HB3 H 1 3.876 0.03 . 2 . . . . 47 SER HB2 . 17050 1 425 . 1 1 41 41 SER CA C 13 61.127 0.30 . 1 . . . . 47 SER CA . 17050 1 426 . 1 1 41 41 SER CB C 13 62.856 0.30 . 1 . . . . 47 SER CB . 17050 1 427 . 1 1 41 41 SER N N 15 114.751 0.30 . 1 . . . . 47 SER N . 17050 1 428 . 1 1 42 42 ASP H H 1 8.019 0.03 . 1 . . . . 48 ASP HN . 17050 1 429 . 1 1 42 42 ASP HA H 1 4.718 0.03 . 1 . . . . 48 ASP HA . 17050 1 430 . 1 1 42 42 ASP HB2 H 1 2.632 0.03 . 2 . . . . 48 ASP HB1 . 17050 1 431 . 1 1 42 42 ASP HB3 H 1 2.632 0.03 . 2 . . . . 48 ASP HB2 . 17050 1 432 . 1 1 42 42 ASP CA C 13 53.987 0.30 . 1 . . . . 48 ASP CA . 17050 1 433 . 1 1 42 42 ASP CB C 13 42.820 0.30 . 1 . . . . 48 ASP CB . 17050 1 434 . 1 1 42 42 ASP N N 15 116.464 0.30 . 1 . . . . 48 ASP N . 17050 1 435 . 1 1 43 43 GLN H H 1 7.456 0.03 . 1 . . . . 49 GLN HN . 17050 1 436 . 1 1 43 43 GLN HA H 1 4.881 0.03 . 1 . . . . 49 GLN HA . 17050 1 437 . 1 1 43 43 GLN HB2 H 1 1.912 0.03 . 2 . . . . 49 GLN HB1 . 17050 1 438 . 1 1 43 43 GLN HB3 H 1 2.292 0.03 . 2 . . . . 49 GLN HB2 . 17050 1 439 . 1 1 43 43 GLN HG2 H 1 2.119 0.03 . 2 . . . . 49 GLN HG1 . 17050 1 440 . 1 1 43 43 GLN HG3 H 1 2.192 0.03 . 2 . . . . 49 GLN HG2 . 17050 1 441 . 1 1 43 43 GLN CA C 13 55.002 0.30 . 1 . . . . 49 GLN CA . 17050 1 442 . 1 1 43 43 GLN CB C 13 35.968 0.30 . 1 . . . . 49 GLN CB . 17050 1 443 . 1 1 43 43 GLN CG C 13 34.699 0.30 . 1 . . . . 49 GLN CG . 17050 1 444 . 1 1 43 43 GLN N N 15 115.393 0.30 . 1 . . . . 49 GLN N . 17050 1 445 . 1 1 44 44 TYR H H 1 8.970 0.03 . 1 . . . . 50 TYR HN . 17050 1 446 . 1 1 44 44 TYR HA H 1 4.979 0.03 . 1 . . . . 50 TYR HA . 17050 1 447 . 1 1 44 44 TYR HB2 H 1 2.453 0.03 . 2 . . . . 50 TYR HB1 . 17050 1 448 . 1 1 44 44 TYR HB3 H 1 2.771 0.03 . 2 . . . . 50 TYR HB2 . 17050 1 449 . 1 1 44 44 TYR HD1 H 1 6.900 0.03 . 3 . . . . 50 TYR HD1 . 17050 1 450 . 1 1 44 44 TYR HE1 H 1 6.773 0.03 . 3 . . . . 50 TYR HE1 . 17050 1 451 . 1 1 44 44 TYR CA C 13 57.286 0.30 . 1 . . . . 50 TYR CA . 17050 1 452 . 1 1 44 44 TYR CB C 13 42.566 0.30 . 1 . . . . 50 TYR CB . 17050 1 453 . 1 1 44 44 TYR CD1 C 13 133.137 0.30 . 3 . . . . 50 TYR CD1 . 17050 1 454 . 1 1 44 44 TYR CE1 C 13 117.729 0.30 . 3 . . . . 50 TYR CE1 . 17050 1 455 . 1 1 44 44 TYR N N 15 117.320 0.30 . 1 . . . . 50 TYR N . 17050 1 456 . 1 1 45 45 LEU H H 1 8.164 0.03 . 1 . . . . 51 LEU HN . 17050 1 457 . 1 1 45 45 LEU HA H 1 3.731 0.03 . 1 . . . . 51 LEU HA . 17050 1 458 . 1 1 45 45 LEU HB2 H 1 0.865 0.03 . 2 . . . . 51 LEU HB1 . 17050 1 459 . 1 1 45 45 LEU HB3 H 1 -1.470 0.03 . 2 . . . . 51 LEU HB2 . 17050 1 460 . 1 1 45 45 LEU HD11 H 1 -0.531 0.03 . 2 . . . . 51 LEU HD11 . 17050 1 461 . 1 1 45 45 LEU HD12 H 1 -0.531 0.03 . 2 . . . . 51 LEU HD11 . 17050 1 462 . 1 1 45 45 LEU HD13 H 1 -0.531 0.03 . 2 . . . . 51 LEU HD11 . 17050 1 463 . 1 1 45 45 LEU HD21 H 1 0.399 0.03 . 2 . . . . 51 LEU HD21 . 17050 1 464 . 1 1 45 45 LEU HD22 H 1 0.399 0.03 . 2 . . . . 51 LEU HD21 . 17050 1 465 . 1 1 45 45 LEU HD23 H 1 0.399 0.03 . 2 . . . . 51 LEU HD21 . 17050 1 466 . 1 1 45 45 LEU HG H 1 0.547 0.03 . 1 . . . . 51 LEU HG . 17050 1 467 . 1 1 45 45 LEU CA C 13 53.733 0.30 . 1 . . . . 51 LEU CA . 17050 1 468 . 1 1 45 45 LEU CB C 13 40.282 0.30 . 1 . . . . 51 LEU CB . 17050 1 469 . 1 1 45 45 LEU CD1 C 13 19.729 0.30 . 1 . . . . 51 LEU CD1 . 17050 1 470 . 1 1 45 45 LEU CD2 C 13 25.314 0.30 . 1 . . . . 51 LEU CD2 . 17050 1 471 . 1 1 45 45 LEU CG C 13 25.816 0.30 . 1 . . . . 51 LEU CG . 17050 1 472 . 1 1 45 45 LEU N N 15 127.597 0.30 . 1 . . . . 51 LEU N . 17050 1 473 . 1 1 46 46 ILE H H 1 8.380 0.03 . 1 . . . . 52 ILE HN . 17050 1 474 . 1 1 46 46 ILE HA H 1 4.410 0.03 . 1 . . . . 52 ILE HA . 17050 1 475 . 1 1 46 46 ILE HB H 1 1.700 0.03 . 1 . . . . 52 ILE HB . 17050 1 476 . 1 1 46 46 ILE HD11 H 1 0.300 0.03 . 1 . . . . 52 ILE HD11 . 17050 1 477 . 1 1 46 46 ILE HD12 H 1 0.300 0.03 . 1 . . . . 52 ILE HD11 . 17050 1 478 . 1 1 46 46 ILE HD13 H 1 0.300 0.03 . 1 . . . . 52 ILE HD11 . 17050 1 479 . 1 1 46 46 ILE HG12 H 1 1.041 0.03 . 9 . . . . 52 ILE HG11 . 17050 1 480 . 1 1 46 46 ILE HG13 H 1 1.361 0.03 . 9 . . . . 52 ILE HG12 . 17050 1 481 . 1 1 46 46 ILE HG21 H 1 -0.194 0.03 . 1 . . . . 52 ILE HG21 . 17050 1 482 . 1 1 46 46 ILE HG22 H 1 -0.194 0.03 . 1 . . . . 52 ILE HG21 . 17050 1 483 . 1 1 46 46 ILE HG23 H 1 -0.194 0.03 . 1 . . . . 52 ILE HG21 . 17050 1 484 . 1 1 46 46 ILE CA C 13 56.779 0.30 . 1 . . . . 52 ILE CA . 17050 1 485 . 1 1 46 46 ILE CB C 13 37.744 0.30 . 1 . . . . 52 ILE CB . 17050 1 486 . 1 1 46 46 ILE CD1 C 13 12.111 0.30 . 1 . . . . 52 ILE CD1 . 17050 1 487 . 1 1 46 46 ILE CG1 C 13 27.593 0.30 . 1 . . . . 52 ILE CG1 . 17050 1 488 . 1 1 46 46 ILE CG2 C 13 17.187 0.30 . 1 . . . . 52 ILE CG2 . 17050 1 489 . 1 1 46 46 ILE N N 15 128.881 0.30 . 1 . . . . 52 ILE N . 17050 1 490 . 1 1 47 47 ARG H H 1 8.708 0.03 . 1 . . . . 53 ARG HN . 17050 1 491 . 1 1 47 47 ARG HA H 1 5.069 0.03 . 1 . . . . 53 ARG HA . 17050 1 492 . 1 1 47 47 ARG HB2 H 1 1.496 0.03 . 2 . . . . 53 ARG HB1 . 17050 1 493 . 1 1 47 47 ARG HB3 H 1 1.590 0.03 . 2 . . . . 53 ARG HB2 . 17050 1 494 . 1 1 47 47 ARG HD2 H 1 3.229 0.03 . 2 . . . . 53 ARG HD1 . 17050 1 495 . 1 1 47 47 ARG HD3 H 1 3.134 0.03 . 2 . . . . 53 ARG HD2 . 17050 1 496 . 1 1 47 47 ARG HG2 H 1 1.500 0.03 . 2 . . . . 53 ARG HG1 . 17050 1 497 . 1 1 47 47 ARG HG3 H 1 1.775 0.03 . 2 . . . . 53 ARG HG2 . 17050 1 498 . 1 1 47 47 ARG CA C 13 53.733 0.30 . 1 . . . . 53 ARG CA . 17050 1 499 . 1 1 47 47 ARG CB C 13 32.922 0.30 . 1 . . . . 53 ARG CB . 17050 1 500 . 1 1 47 47 ARG CD C 13 43.581 0.30 . 1 . . . . 53 ARG CD . 17050 1 501 . 1 1 47 47 ARG CG C 13 26.822 0.30 . 1 . . . . 53 ARG CG . 17050 1 502 . 1 1 47 47 ARG N N 15 125.241 0.30 . 1 . . . . 53 ARG N . 17050 1 503 . 1 1 48 48 PHE H H 1 8.979 0.03 . 1 . . . . 54 PHE HN . 17050 1 504 . 1 1 48 48 PHE HA H 1 4.819 0.03 . 1 . . . . 54 PHE HA . 17050 1 505 . 1 1 48 48 PHE HB2 H 1 3.023 0.03 . 2 . . . . 54 PHE HB1 . 17050 1 506 . 1 1 48 48 PHE HB3 H 1 3.342 0.03 . 2 . . . . 54 PHE HB2 . 17050 1 507 . 1 1 48 48 PHE HD1 H 1 7.224 0.03 . 3 . . . . 54 PHE HD1 . 17050 1 508 . 1 1 48 48 PHE HE1 H 1 6.901 0.03 . 3 . . . . 54 PHE HE1 . 17050 1 509 . 1 1 48 48 PHE HZ H 1 6.832 0.03 . 1 . . . . 54 PHE HZ . 17050 1 510 . 1 1 48 48 PHE CA C 13 58.048 0.30 . 1 . . . . 54 PHE CA . 17050 1 511 . 1 1 48 48 PHE CB C 13 40.282 0.30 . 1 . . . . 54 PHE CB . 17050 1 512 . 1 1 48 48 PHE CD1 C 13 131.900 0.30 . 3 . . . . 54 PHE CD1 . 17050 1 513 . 1 1 48 48 PHE CE1 C 13 130.670 0.30 . 3 . . . . 54 PHE CE1 . 17050 1 514 . 1 1 48 48 PHE CZ C 13 128.210 0.30 . 1 . . . . 54 PHE CZ . 17050 1 515 . 1 1 48 48 PHE N N 15 128.453 0.30 . 1 . . . . 54 PHE N . 17050 1 516 . 1 1 49 49 ASP H H 1 9.073 0.03 . 1 . . . . 55 ASP HN . 17050 1 517 . 1 1 49 49 ASP HA H 1 4.367 0.03 . 1 . . . . 55 ASP HA . 17050 1 518 . 1 1 49 49 ASP HB2 H 1 2.875 0.03 . 2 . . . . 55 ASP HB1 . 17050 1 519 . 1 1 49 49 ASP HB3 H 1 2.754 0.03 . 2 . . . . 55 ASP HB2 . 17050 1 520 . 1 1 49 49 ASP CA C 13 57.032 0.30 . 1 . . . . 55 ASP CA . 17050 1 521 . 1 1 49 49 ASP CB C 13 40.790 0.30 . 1 . . . . 55 ASP CB . 17050 1 522 . 1 1 49 49 ASP N N 15 121.602 0.30 . 1 . . . . 55 ASP N . 17050 1 523 . 1 1 50 50 ASP H H 1 7.857 0.03 . 1 . . . . 56 ASP HN . 17050 1 524 . 1 1 50 50 ASP HA H 1 4.552 0.03 . 1 . . . . 56 ASP HA . 17050 1 525 . 1 1 50 50 ASP HB2 H 1 2.615 0.03 . 2 . . . . 56 ASP HB1 . 17050 1 526 . 1 1 50 50 ASP HB3 H 1 3.057 0.03 . 2 . . . . 56 ASP HB2 . 17050 1 527 . 1 1 50 50 ASP CA C 13 53.226 0.30 . 1 . . . . 56 ASP CA . 17050 1 528 . 1 1 50 50 ASP CB C 13 39.521 0.30 . 1 . . . . 56 ASP CB . 17050 1 529 . 1 1 50 50 ASP N N 15 117.748 0.30 . 1 . . . . 56 ASP N . 17050 1 530 . 1 1 51 51 GLN H H 1 8.387 0.03 . 1 . . . . 57 GLN HN . 17050 1 531 . 1 1 51 51 GLN HA H 1 3.757 0.03 . 1 . . . . 57 GLN HA . 17050 1 532 . 1 1 51 51 GLN HB2 H 1 2.295 0.03 . 2 . . . . 57 GLN HB1 . 17050 1 533 . 1 1 51 51 GLN HB3 H 1 2.545 0.03 . 2 . . . . 57 GLN HB2 . 17050 1 534 . 1 1 51 51 GLN HE21 H 1 6.680 0.03 . 2 . . . . 57 GLN HE21 . 17050 1 535 . 1 1 51 51 GLN HE22 H 1 7.349 0.03 . 2 . . . . 57 GLN HE22 . 17050 1 536 . 1 1 51 51 GLN HG2 H 1 2.220 0.03 . 2 . . . . 57 GLN HG1 . 17050 1 537 . 1 1 51 51 GLN HG3 H 1 2.337 0.03 . 2 . . . . 57 GLN HG2 . 17050 1 538 . 1 1 51 51 GLN CA C 13 57.794 0.30 . 1 . . . . 57 GLN CA . 17050 1 539 . 1 1 51 51 GLN CB C 13 26.324 0.30 . 1 . . . . 57 GLN CB . 17050 1 540 . 1 1 51 51 GLN CG C 13 34.190 0.30 . 1 . . . . 57 GLN CG . 17050 1 541 . 1 1 51 51 GLN N N 15 111.753 0.30 . 1 . . . . 57 GLN N . 17050 1 542 . 1 1 51 51 GLN NE2 N 15 113.573 0.30 . 1 . . . . 57 GLN NE2 . 17050 1 543 . 1 1 52 52 SER H H 1 8.425 0.03 . 1 . . . . 58 SER HN . 17050 1 544 . 1 1 52 52 SER HA H 1 4.378 0.03 . 1 . . . . 58 SER HA . 17050 1 545 . 1 1 52 52 SER HB2 H 1 3.885 0.03 . 2 . . . . 58 SER HB1 . 17050 1 546 . 1 1 52 52 SER HB3 H 1 3.885 0.03 . 2 . . . . 58 SER HB2 . 17050 1 547 . 1 1 52 52 SER CA C 13 59.060 0.30 . 1 . . . . 58 SER CA . 17050 1 548 . 1 1 52 52 SER CB C 13 64.139 0.30 . 1 . . . . 58 SER CB . 17050 1 549 . 1 1 52 52 SER N N 15 118.250 0.30 . 1 . . . . 58 SER N . 17050 1 550 . 1 1 53 53 GLU H H 1 8.276 0.03 . 1 . . . . 59 GLU HN . 17050 1 551 . 1 1 53 53 GLU HA H 1 5.796 0.03 . 1 . . . . 59 GLU HA . 17050 1 552 . 1 1 53 53 GLU HB2 H 1 1.649 0.03 . 2 . . . . 59 GLU HB1 . 17050 1 553 . 1 1 53 53 GLU HB3 H 1 1.919 0.03 . 2 . . . . 59 GLU HB2 . 17050 1 554 . 1 1 53 53 GLU HG2 H 1 1.899 0.03 . 2 . . . . 59 GLU HG1 . 17050 1 555 . 1 1 53 53 GLU HG3 H 1 2.186 0.03 . 2 . . . . 59 GLU HG2 . 17050 1 556 . 1 1 53 53 GLU CA C 13 54.000 0.30 . 1 . . . . 59 GLU CA . 17050 1 557 . 1 1 53 53 GLU CB C 13 32.668 0.30 . 1 . . . . 59 GLU CB . 17050 1 558 . 1 1 53 53 GLU CG C 13 35.968 0.30 . 1 . . . . 59 GLU CG . 17050 1 559 . 1 1 53 53 GLU N N 15 118.819 0.30 . 1 . . . . 59 GLU N . 17050 1 560 . 1 1 54 54 GLN H H 1 8.806 0.03 . 1 . . . . 60 GLN HN . 17050 1 561 . 1 1 54 54 GLN HA H 1 4.641 0.03 . 1 . . . . 60 GLN HA . 17050 1 562 . 1 1 54 54 GLN HB2 H 1 1.923 0.03 . 2 . . . . 60 GLN HB1 . 17050 1 563 . 1 1 54 54 GLN HB3 H 1 2.040 0.03 . 2 . . . . 60 GLN HB2 . 17050 1 564 . 1 1 54 54 GLN HG2 H 1 2.311 0.03 . 2 . . . . 60 GLN HG1 . 17050 1 565 . 1 1 54 54 GLN HG3 H 1 2.345 0.03 . 2 . . . . 60 GLN HG2 . 17050 1 566 . 1 1 54 54 GLN CA C 13 54.748 0.30 . 1 . . . . 60 GLN CA . 17050 1 567 . 1 1 54 54 GLN CB C 13 33.937 0.30 . 1 . . . . 60 GLN CB . 17050 1 568 . 1 1 54 54 GLN CG C 13 34.191 0.30 . 1 . . . . 60 GLN CG . 17050 1 569 . 1 1 54 54 GLN N N 15 120.317 0.30 . 1 . . . . 60 GLN N . 17050 1 570 . 1 1 55 55 TRP H H 1 9.013 0.03 . 1 . . . . 61 TRP HN . 17050 1 571 . 1 1 55 55 TRP HA H 1 5.082 0.03 . 1 . . . . 61 TRP HA . 17050 1 572 . 1 1 55 55 TRP HB2 H 1 3.033 0.03 . 2 . . . . 61 TRP HB1 . 17050 1 573 . 1 1 55 55 TRP HB3 H 1 3.107 0.03 . 2 . . . . 61 TRP HB2 . 17050 1 574 . 1 1 55 55 TRP HD1 H 1 7.280 0.03 . 1 . . . . 61 TRP HD1 . 17050 1 575 . 1 1 55 55 TRP HE1 H 1 10.240 0.03 . 1 . . . . 61 TRP HE1 . 17050 1 576 . 1 1 55 55 TRP HE3 H 1 7.141 0.03 . 1 . . . . 61 TRP HE3 . 17050 1 577 . 1 1 55 55 TRP HH2 H 1 6.865 0.03 . 1 . . . . 61 TRP HH2 . 17050 1 578 . 1 1 55 55 TRP HZ2 H 1 7.446 0.03 . 1 . . . . 61 TRP HZ2 . 17050 1 579 . 1 1 55 55 TRP HZ3 H 1 6.677 0.03 . 1 . . . . 61 TRP HZ3 . 17050 1 580 . 1 1 55 55 TRP CA C 13 57.286 0.30 . 1 . . . . 61 TRP CA . 17050 1 581 . 1 1 55 55 TRP CB C 13 29.139 0.30 . 1 . . . . 61 TRP CB . 17050 1 582 . 1 1 55 55 TRP CD1 C 13 127.590 0.30 . 1 . . . . 61 TRP CD1 . 17050 1 583 . 1 1 55 55 TRP CE3 C 13 120.190 0.30 . 1 . . . . 61 TRP CE3 . 17050 1 584 . 1 1 55 55 TRP CH2 C 13 123.890 0.30 . 1 . . . . 61 TRP CH2 . 17050 1 585 . 1 1 55 55 TRP CZ2 C 13 115.260 0.30 . 1 . . . . 61 TRP CZ2 . 17050 1 586 . 1 1 55 55 TRP CZ3 C 13 122.040 0.30 . 1 . . . . 61 TRP CZ3 . 17050 1 587 . 1 1 55 55 TRP N N 15 127.597 0.30 . 1 . . . . 61 TRP N . 17050 1 588 . 1 1 55 55 TRP NE1 N 15 130.170 0.30 . 1 . . . . 61 TRP NE1 . 17050 1 589 . 1 1 56 56 CYS H H 1 9.996 0.03 . 1 . . . . 62 CYS HN . 17050 1 590 . 1 1 56 56 CYS HA H 1 4.953 0.03 . 1 . . . . 62 CYS HA . 17050 1 591 . 1 1 56 56 CYS HB2 H 1 2.675 0.03 . 2 . . . . 62 CYS HB1 . 17050 1 592 . 1 1 56 56 CYS HB3 H 1 2.735 0.03 . 2 . . . . 62 CYS HB2 . 17050 1 593 . 1 1 56 56 CYS CA C 13 58.301 0.30 . 1 . . . . 62 CYS CA . 17050 1 594 . 1 1 56 56 CYS CB C 13 32.161 0.30 . 1 . . . . 62 CYS CB . 17050 1 595 . 1 1 56 56 CYS N N 15 121.388 0.30 . 1 . . . . 62 CYS N . 17050 1 596 . 1 1 57 57 GLU H H 1 8.945 0.03 . 1 . . . . 63 GLU HN . 17050 1 597 . 1 1 57 57 GLU HA H 1 4.799 0.03 . 1 . . . . 63 GLU HA . 17050 1 598 . 1 1 57 57 GLU HB2 H 1 2.394 0.03 . 2 . . . . 63 GLU HB1 . 17050 1 599 . 1 1 57 57 GLU HB3 H 1 2.159 0.03 . 2 . . . . 63 GLU HB2 . 17050 1 600 . 1 1 57 57 GLU HG2 H 1 2.570 0.03 . 2 . . . . 63 GLU HG1 . 17050 1 601 . 1 1 57 57 GLU HG3 H 1 2.467 0.03 . 2 . . . . 63 GLU HG2 . 17050 1 602 . 1 1 57 57 GLU CA C 13 55.256 0.30 . 1 . . . . 63 GLU CA . 17050 1 603 . 1 1 57 57 GLU CB C 13 28.608 0.30 . 1 . . . . 63 GLU CB . 17050 1 604 . 1 1 57 57 GLU CG C 13 36.983 0.30 . 1 . . . . 63 GLU CG . 17050 1 605 . 1 1 57 57 GLU N N 15 123.743 0.30 . 1 . . . . 63 GLU N . 17050 1 606 . 1 1 58 58 PRO HA H 1 4.245 0.03 . 1 . . . . 64 PRO HA . 17050 1 607 . 1 1 58 58 PRO HB2 H 1 2.273 0.03 . 2 . . . . 64 PRO HB1 . 17050 1 608 . 1 1 58 58 PRO HB3 H 1 2.683 0.03 . 2 . . . . 64 PRO HB2 . 17050 1 609 . 1 1 58 58 PRO HD2 H 1 3.997 0.03 . 2 . . . . 64 PRO HD1 . 17050 1 610 . 1 1 58 58 PRO HD3 H 1 4.199 0.03 . 2 . . . . 64 PRO HD2 . 17050 1 611 . 1 1 58 58 PRO HG2 H 1 2.118 0.03 . 2 . . . . 64 PRO HG1 . 17050 1 612 . 1 1 58 58 PRO HG3 H 1 2.352 0.03 . 2 . . . . 64 PRO HG2 . 17050 1 613 . 1 1 58 58 PRO CA C 13 65.408 0.30 . 1 . . . . 64 PRO CA . 17050 1 614 . 1 1 58 58 PRO CB C 13 32.141 0.30 . 1 . . . . 64 PRO CB . 17050 1 615 . 1 1 58 58 PRO CD C 13 50.688 0.30 . 1 . . . . 64 PRO CD . 17050 1 616 . 1 1 58 58 PRO CG C 13 28.100 0.30 . 1 . . . . 64 PRO CG . 17050 1 617 . 1 1 59 59 ASP H H 1 8.338 0.03 . 1 . . . . 65 ASP HN . 17050 1 618 . 1 1 59 59 ASP HA H 1 4.538 0.03 . 1 . . . . 65 ASP HA . 17050 1 619 . 1 1 59 59 ASP HB2 H 1 2.717 0.03 . 2 . . . . 65 ASP HB1 . 17050 1 620 . 1 1 59 59 ASP HB3 H 1 2.849 0.03 . 2 . . . . 65 ASP HB2 . 17050 1 621 . 1 1 59 59 ASP CA C 13 55.763 0.30 . 1 . . . . 65 ASP CA . 17050 1 622 . 1 1 59 59 ASP CB C 13 39.775 0.30 . 1 . . . . 65 ASP CB . 17050 1 623 . 1 1 59 59 ASP N N 15 113.680 0.30 . 1 . . . . 65 ASP N . 17050 1 624 . 1 1 60 60 LYS H H 1 7.916 0.03 . 1 . . . . 66 LYS HN . 17050 1 625 . 1 1 60 60 LYS HA H 1 4.371 0.03 . 1 . . . . 66 LYS HA . 17050 1 626 . 1 1 60 60 LYS HB2 H 1 1.960 0.03 . 2 . . . . 66 LYS HB1 . 17050 1 627 . 1 1 60 60 LYS HB3 H 1 2.335 0.03 . 2 . . . . 66 LYS HB2 . 17050 1 628 . 1 1 60 60 LYS HD2 H 1 1.723 0.03 . 2 . . . . 66 LYS HD1 . 17050 1 629 . 1 1 60 60 LYS HD3 H 1 1.723 0.03 . 2 . . . . 66 LYS HD2 . 17050 1 630 . 1 1 60 60 LYS HE2 H 1 3.095 0.03 . 2 . . . . 66 LYS HE1 . 17050 1 631 . 1 1 60 60 LYS HE3 H 1 3.095 0.03 . 2 . . . . 66 LYS HE2 . 17050 1 632 . 1 1 60 60 LYS HG2 H 1 1.606 0.03 . 2 . . . . 66 LYS HG1 . 17050 1 633 . 1 1 60 60 LYS HG3 H 1 1.699 0.03 . 2 . . . . 66 LYS HG2 . 17050 1 634 . 1 1 60 60 LYS CA C 13 55.763 0.30 . 1 . . . . 66 LYS CA . 17050 1 635 . 1 1 60 60 LYS CB C 13 32.668 0.30 . 1 . . . . 66 LYS CB . 17050 1 636 . 1 1 60 60 LYS CD C 13 28.354 0.30 . 1 . . . . 66 LYS CD . 17050 1 637 . 1 1 60 60 LYS CE C 13 42.059 0.30 . 1 . . . . 66 LYS CE . 17050 1 638 . 1 1 60 60 LYS CG C 13 25.562 0.30 . 1 . . . . 66 LYS CG . 17050 1 639 . 1 1 60 60 LYS N N 15 118.176 0.30 . 1 . . . . 66 LYS N . 17050 1 640 . 1 1 61 61 LEU H H 1 7.355 0.03 . 1 . . . . 67 LEU HN . 17050 1 641 . 1 1 61 61 LEU HA H 1 5.073 0.03 . 1 . . . . 67 LEU HA . 17050 1 642 . 1 1 61 61 LEU HB2 H 1 0.906 0.03 . 2 . . . . 67 LEU HB1 . 17050 1 643 . 1 1 61 61 LEU HB3 H 1 1.430 0.03 . 2 . . . . 67 LEU HB2 . 17050 1 644 . 1 1 61 61 LEU HD11 H 1 0.151 0.03 . 2 . . . . 67 LEU HD11 . 17050 1 645 . 1 1 61 61 LEU HD12 H 1 0.151 0.03 . 2 . . . . 67 LEU HD11 . 17050 1 646 . 1 1 61 61 LEU HD13 H 1 0.151 0.03 . 2 . . . . 67 LEU HD11 . 17050 1 647 . 1 1 61 61 LEU HD21 H 1 -0.056 0.03 . 2 . . . . 67 LEU HD21 . 17050 1 648 . 1 1 61 61 LEU HD22 H 1 -0.056 0.03 . 2 . . . . 67 LEU HD21 . 17050 1 649 . 1 1 61 61 LEU HD23 H 1 -0.056 0.03 . 2 . . . . 67 LEU HD21 . 17050 1 650 . 1 1 61 61 LEU HG H 1 1.348 0.03 . 1 . . . . 67 LEU HG . 17050 1 651 . 1 1 61 61 LEU CA C 13 55.002 0.30 . 1 . . . . 67 LEU CA . 17050 1 652 . 1 1 61 61 LEU CB C 13 43.835 0.30 . 1 . . . . 67 LEU CB . 17050 1 653 . 1 1 61 61 LEU CD1 C 13 25.054 0.30 . 1 . . . . 67 LEU CD1 . 17050 1 654 . 1 1 61 61 LEU CD2 C 13 24.801 0.30 . 1 . . . . 67 LEU CD2 . 17050 1 655 . 1 1 61 61 LEU CG C 13 28.862 0.30 . 1 . . . . 67 LEU CG . 17050 1 656 . 1 1 61 61 LEU N N 15 119.461 0.30 . 1 . . . . 67 LEU N . 17050 1 657 . 1 1 62 62 ARG H H 1 8.900 0.03 . 1 . . . . 68 ARG HN . 17050 1 658 . 1 1 62 62 ARG HA H 1 4.711 0.03 . 1 . . . . 68 ARG HA . 17050 1 659 . 1 1 62 62 ARG HB2 H 1 1.802 0.03 . 2 . . . . 68 ARG HB1 . 17050 1 660 . 1 1 62 62 ARG HB3 H 1 1.701 0.03 . 2 . . . . 68 ARG HB2 . 17050 1 661 . 1 1 62 62 ARG HD2 H 1 2.922 0.03 . 2 . . . . 68 ARG HD1 . 17050 1 662 . 1 1 62 62 ARG HD3 H 1 3.160 0.03 . 2 . . . . 68 ARG HD2 . 17050 1 663 . 1 1 62 62 ARG HG2 H 1 1.569 0.03 . 2 . . . . 68 ARG HG1 . 17050 1 664 . 1 1 62 62 ARG HG3 H 1 1.675 0.03 . 2 . . . . 68 ARG HG2 . 17050 1 665 . 1 1 62 62 ARG CA C 13 54.241 0.30 . 1 . . . . 68 ARG CA . 17050 1 666 . 1 1 62 62 ARG CB C 13 33.937 0.30 . 1 . . . . 68 ARG CB . 17050 1 667 . 1 1 62 62 ARG CD C 13 43.074 0.30 . 1 . . . . 68 ARG CD . 17050 1 668 . 1 1 62 62 ARG CG C 13 26.831 0.30 . 1 . . . . 68 ARG CG . 17050 1 669 . 1 1 62 62 ARG N N 15 119.889 0.30 . 1 . . . . 68 ARG N . 17050 1 670 . 1 1 63 63 LYS H H 1 8.398 0.03 . 1 . . . . 69 LYS HN . 17050 1 671 . 1 1 63 63 LYS HA H 1 4.614 0.03 . 1 . . . . 69 LYS HA . 17050 1 672 . 1 1 63 63 LYS HB2 H 1 1.810 0.03 . 2 . . . . 69 LYS HB1 . 17050 1 673 . 1 1 63 63 LYS HB3 H 1 1.848 0.03 . 2 . . . . 69 LYS HB2 . 17050 1 674 . 1 1 63 63 LYS HD2 H 1 1.820 0.03 . 2 . . . . 69 LYS HD1 . 17050 1 675 . 1 1 63 63 LYS HD3 H 1 1.543 0.03 . 2 . . . . 69 LYS HD2 . 17050 1 676 . 1 1 63 63 LYS HE2 H 1 2.644 0.03 . 2 . . . . 69 LYS HE1 . 17050 1 677 . 1 1 63 63 LYS HE3 H 1 2.107 0.03 . 2 . . . . 69 LYS HE2 . 17050 1 678 . 1 1 63 63 LYS HG2 H 1 1.477 0.03 . 2 . . . . 69 LYS HG1 . 17050 1 679 . 1 1 63 63 LYS HG3 H 1 1.527 0.03 . 2 . . . . 69 LYS HG2 . 17050 1 680 . 1 1 63 63 LYS CA C 13 55.002 0.30 . 1 . . . . 69 LYS CA . 17050 1 681 . 1 1 63 63 LYS CB C 13 33.430 0.30 . 1 . . . . 69 LYS CB . 17050 1 682 . 1 1 63 63 LYS CD C 13 28.868 0.30 . 1 . . . . 69 LYS CD . 17050 1 683 . 1 1 63 63 LYS CE C 13 41.805 0.30 . 1 . . . . 69 LYS CE . 17050 1 684 . 1 1 63 63 LYS CG C 13 24.801 0.30 . 1 . . . . 69 LYS CG . 17050 1 685 . 1 1 63 63 LYS N N 15 122.244 0.30 . 1 . . . . 69 LYS N . 17050 1 686 . 1 1 64 64 LEU H H 1 8.596 0.03 . 1 . . . . 70 LEU HN . 17050 1 687 . 1 1 64 64 LEU HA H 1 4.166 0.03 . 1 . . . . 70 LEU HA . 17050 1 688 . 1 1 64 64 LEU HB2 H 1 1.490 0.03 . 2 . . . . 70 LEU HB1 . 17050 1 689 . 1 1 64 64 LEU HB3 H 1 1.545 0.03 . 2 . . . . 70 LEU HB2 . 17050 1 690 . 1 1 64 64 LEU HD11 H 1 0.476 0.03 . 2 . . . . 70 LEU HD11 . 17050 1 691 . 1 1 64 64 LEU HD12 H 1 0.476 0.03 . 2 . . . . 70 LEU HD11 . 17050 1 692 . 1 1 64 64 LEU HD13 H 1 0.476 0.03 . 2 . . . . 70 LEU HD11 . 17050 1 693 . 1 1 64 64 LEU HD21 H 1 0.539 0.03 . 2 . . . . 70 LEU HD21 . 17050 1 694 . 1 1 64 64 LEU HD22 H 1 0.539 0.03 . 2 . . . . 70 LEU HD21 . 17050 1 695 . 1 1 64 64 LEU HD23 H 1 0.539 0.03 . 2 . . . . 70 LEU HD21 . 17050 1 696 . 1 1 64 64 LEU HG H 1 1.508 0.03 . 1 . . . . 70 LEU HG . 17050 1 697 . 1 1 64 64 LEU CA C 13 56.271 0.30 . 1 . . . . 70 LEU CA . 17050 1 698 . 1 1 64 64 LEU CB C 13 42.059 0.30 . 1 . . . . 70 LEU CB . 17050 1 699 . 1 1 64 64 LEU CD1 C 13 24.039 0.30 . 1 . . . . 70 LEU CD1 . 17050 1 700 . 1 1 64 64 LEU CD2 C 13 24.801 0.30 . 1 . . . . 70 LEU CD2 . 17050 1 701 . 1 1 64 64 LEU CG C 13 27.593 0.30 . 1 . . . . 70 LEU CG . 17050 1 702 . 1 1 64 64 LEU N N 15 122.672 0.30 . 1 . . . . 70 LEU N . 17050 1 703 . 1 1 65 65 GLY H H 1 8.290 0.03 . 1 . . . . 71 GLY HN . 17050 1 704 . 1 1 65 65 GLY HA2 H 1 3.889 0.03 . 2 . . . . 71 GLY HA1 . 17050 1 705 . 1 1 65 65 GLY HA3 H 1 3.938 0.03 . 2 . . . . 71 GLY HA2 . 17050 1 706 . 1 1 65 65 GLY CA C 13 45.273 0.30 . 1 . . . . 71 GLY CA . 17050 1 707 . 1 1 65 65 GLY N N 15 108.114 0.30 . 1 . . . . 71 GLY N . 17050 1 708 . 1 1 66 66 GLY H H 1 8.316 0.03 . 1 . . . . 72 GLY HN . 17050 1 709 . 1 1 66 66 GLY HA2 H 1 3.901 0.03 . 2 . . . . 72 GLY HA1 . 17050 1 710 . 1 1 66 66 GLY HA3 H 1 3.974 0.03 . 2 . . . . 72 GLY HA2 . 17050 1 711 . 1 1 66 66 GLY CA C 13 45.283 0.30 . 1 . . . . 72 GLY CA . 17050 1 712 . 1 1 66 66 GLY N N 15 108.970 0.30 . 1 . . . . 72 GLY N . 17050 1 713 . 1 1 67 67 GLY H H 1 8.179 0.03 . 1 . . . . 73 GLY HN . 17050 1 714 . 1 1 67 67 GLY HA2 H 1 3.941 0.03 . 2 . . . . 73 GLY HA1 . 17050 1 715 . 1 1 67 67 GLY HA3 H 1 4.036 0.03 . 2 . . . . 73 GLY HA2 . 17050 1 716 . 1 1 67 67 GLY CA C 13 45.153 0.30 . 1 . . . . 73 GLY CA . 17050 1 717 . 1 1 67 67 GLY N N 15 108.756 0.30 . 1 . . . . 73 GLY N . 17050 1 718 . 1 1 68 68 SER H H 1 8.245 0.03 . 1 . . . . 74 SER HN . 17050 1 719 . 1 1 68 68 SER HA H 1 4.431 0.03 . 1 . . . . 74 SER HA . 17050 1 720 . 1 1 68 68 SER HB2 H 1 3.735 0.03 . 2 . . . . 74 SER HB1 . 17050 1 721 . 1 1 68 68 SER HB3 H 1 3.826 0.03 . 2 . . . . 74 SER HB2 . 17050 1 722 . 1 1 68 68 SER CA C 13 58.146 0.30 . 1 . . . . 74 SER CA . 17050 1 723 . 1 1 68 68 SER CB C 13 63.631 0.30 . 1 . . . . 74 SER CB . 17050 1 724 . 1 1 68 68 SER N N 15 115.821 0.30 . 1 . . . . 74 SER N . 17050 1 725 . 1 1 69 69 SER H H 1 7.958 0.03 . 1 . . . . 75 SER HN . 17050 1 726 . 1 1 69 69 SER CA C 13 60.078 0.30 . 1 . . . . 75 SER CA . 17050 1 727 . 1 1 69 69 SER CB C 13 65.815 0.30 . 1 . . . . 75 SER CB . 17050 1 728 . 1 1 69 69 SER N N 15 123.101 0.30 . 1 . . . . 75 SER N . 17050 1 stop_ save_