data_10213 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10213 _Entry.Title ; Solution structure of the GUCT domain from human ATP-dependent RNA helicase DDX50, DEAD box protein 50 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-09 _Entry.Accession_date 2008-04-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Ohnishi . . . 10213 2 K. Paakkonen . . . 10213 3 P. Guntert . . . 10213 4 M. Sato . . . 10213 5 S. Koshiba . . . 10213 6 T. Harada . . . 10213 7 S. Watanabe . . . 10213 8 T. Kigawa . . . 10213 9 S. Yokoyama . . . 10213 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10213 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10213 RDCs 1 10213 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 387 10213 '15N chemical shifts' 88 10213 '1H chemical shifts' 603 10213 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 . . 2008-12-16 2008-04-09 update BMRB 'complete entry citation' 10213 1 . . 2008-08-19 2008-04-09 original author 'original release' 10213 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E29 'BMRB Entry Tracking System' 10213 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10213 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18615715 _Citation.Full_citation . _Citation.Title 'Solution structure of the GUCT domain from human RNA helicase II/Gubeta reveals the RRM fold, but implausible RNA interactions.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 74 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 133 _Citation.Page_last 144 _Citation.Year 2008 _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 Satoshi Ohnishi . . . 10213 1 2 Kimmo Paakkonen . . . 10213 1 3 Seizo Koshiba . . . 10213 1 4 Naoya Tochio . . . 10213 1 5 Manami Sato . . . 10213 1 6 Naohiro Kobayashi . . . 10213 1 7 Takushi Harada . . . 10213 1 8 Satoru Watanabe . . . 10213 1 9 Yutaka Muto . . . 10213 1 10 Peter Guntert . . . 10213 1 11 Akiko Tanaka . . . 10213 1 12 Takanori Kigawa . . . 10213 1 13 Shigeyuki Yokoyama . . . 10213 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10213 _Assembly.ID 1 _Assembly.Name 'ATP-dependent RNA helicase DDX50 (E.C.3.6.1.-)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'GUCT domain' 1 $entity_1 . . yes native no no . . . 10213 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2E29 . . . . . . 10213 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10213 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'GUCT domain' _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 ; GSSGSSGFEPRSLITSDKGF VTMTLESLEEIQDVSCAWKE LNRKLSSNAVSQITRMCLLK GNMGVCFDVPTTESERLQAE WHDSDWILSVPA ; _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2E29 . "Solution Structure Of The Guct Domain From Human Atp- Dependent Rna Helicase Ddx50, Dead Box Protein 50" . . . . . 100.00 92 100.00 100.00 2.09e-59 . . . . 10213 1 2 no DBJ BAG57047 . "unnamed protein product [Homo sapiens]" . . . . . 80.43 643 97.30 98.65 1.35e-40 . . . . 10213 1 3 no DBJ BAG62959 . "unnamed protein product [Homo sapiens]" . . . . . 97.83 711 97.78 98.89 2.73e-53 . . . . 10213 1 4 no EMBL CAB70733 . "hypothetical protein [Homo sapiens]" . . . . . 97.83 399 97.78 98.89 6.76e-55 . . . . 10213 1 5 no GB AAH00210 . "DDX50 protein, partial [Homo sapiens]" . . . . . 97.83 467 97.78 98.89 3.55e-54 . . . . 10213 1 6 no GB AAH00272 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 50 [Homo sapiens]" . . . . . 97.83 737 97.78 98.89 3.01e-53 . . . . 10213 1 7 no GB AAH18637 . "DDX50 protein, partial [Homo sapiens]" . . . . . 97.83 423 97.78 98.89 1.58e-54 . . . . 10213 1 8 no GB AAK29402 . "nucleolar protein GU2 [Homo sapiens]" . . . . . 97.83 737 97.78 98.89 3.01e-53 . . . . 10213 1 9 no GB ABM83473 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 50 [synthetic construct]" . . . . . 97.83 737 97.78 98.89 3.01e-53 . . . . 10213 1 10 no REF NP_001245111 . "ATP-dependent RNA helicase DDX50 [Macaca mulatta]" . . . . . 97.83 737 97.78 98.89 3.01e-53 . . . . 10213 1 11 no REF NP_076950 . "ATP-dependent RNA helicase DDX50 [Homo sapiens]" . . . . . 97.83 737 97.78 98.89 3.01e-53 . . . . 10213 1 12 no REF XP_002756344 . "PREDICTED: ATP-dependent RNA helicase DDX50 isoform X1 [Callithrix jacchus]" . . . . . 97.83 737 97.78 98.89 3.01e-53 . . . . 10213 1 13 no REF XP_002820928 . "PREDICTED: ATP-dependent RNA helicase DDX50 isoform X1 [Pongo abelii]" . . . . . 97.83 737 97.78 98.89 3.01e-53 . . . . 10213 1 14 no REF XP_003258245 . "PREDICTED: ATP-dependent RNA helicase DDX50 isoform X1 [Nomascus leucogenys]" . . . . . 97.83 737 97.78 98.89 3.10e-53 . . . . 10213 1 15 no SP Q9BQ39 . "RecName: Full=ATP-dependent RNA helicase DDX50; AltName: Full=DEAD box protein 50; AltName: Full=Gu-beta; AltName: Full=Nucleol" . . . . . 97.83 737 97.78 98.89 3.01e-53 . . . . 10213 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'GUCT domain, residues 8-92' . 10213 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10213 1 2 . SER . 10213 1 3 . SER . 10213 1 4 . GLY . 10213 1 5 . SER . 10213 1 6 . SER . 10213 1 7 . GLY . 10213 1 8 . PHE . 10213 1 9 . GLU . 10213 1 10 . PRO . 10213 1 11 . ARG . 10213 1 12 . SER . 10213 1 13 . LEU . 10213 1 14 . ILE . 10213 1 15 . THR . 10213 1 16 . SER . 10213 1 17 . ASP . 10213 1 18 . LYS . 10213 1 19 . GLY . 10213 1 20 . PHE . 10213 1 21 . VAL . 10213 1 22 . THR . 10213 1 23 . MET . 10213 1 24 . THR . 10213 1 25 . LEU . 10213 1 26 . GLU . 10213 1 27 . SER . 10213 1 28 . LEU . 10213 1 29 . GLU . 10213 1 30 . GLU . 10213 1 31 . ILE . 10213 1 32 . GLN . 10213 1 33 . ASP . 10213 1 34 . VAL . 10213 1 35 . SER . 10213 1 36 . CYS . 10213 1 37 . ALA . 10213 1 38 . TRP . 10213 1 39 . LYS . 10213 1 40 . GLU . 10213 1 41 . LEU . 10213 1 42 . ASN . 10213 1 43 . ARG . 10213 1 44 . LYS . 10213 1 45 . LEU . 10213 1 46 . SER . 10213 1 47 . SER . 10213 1 48 . ASN . 10213 1 49 . ALA . 10213 1 50 . VAL . 10213 1 51 . SER . 10213 1 52 . GLN . 10213 1 53 . ILE . 10213 1 54 . THR . 10213 1 55 . ARG . 10213 1 56 . MET . 10213 1 57 . CYS . 10213 1 58 . LEU . 10213 1 59 . LEU . 10213 1 60 . LYS . 10213 1 61 . GLY . 10213 1 62 . ASN . 10213 1 63 . MET . 10213 1 64 . GLY . 10213 1 65 . VAL . 10213 1 66 . CYS . 10213 1 67 . PHE . 10213 1 68 . ASP . 10213 1 69 . VAL . 10213 1 70 . PRO . 10213 1 71 . THR . 10213 1 72 . THR . 10213 1 73 . GLU . 10213 1 74 . SER . 10213 1 75 . GLU . 10213 1 76 . ARG . 10213 1 77 . LEU . 10213 1 78 . GLN . 10213 1 79 . ALA . 10213 1 80 . GLU . 10213 1 81 . TRP . 10213 1 82 . HIS . 10213 1 83 . ASP . 10213 1 84 . SER . 10213 1 85 . ASP . 10213 1 86 . TRP . 10213 1 87 . ILE . 10213 1 88 . LEU . 10213 1 89 . SER . 10213 1 90 . VAL . 10213 1 91 . PRO . 10213 1 92 . ALA . 10213 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 10213 1 . SER 2 2 10213 1 . SER 3 3 10213 1 . GLY 4 4 10213 1 . SER 5 5 10213 1 . SER 6 6 10213 1 . GLY 7 7 10213 1 . PHE 8 8 10213 1 . GLU 9 9 10213 1 . PRO 10 10 10213 1 . ARG 11 11 10213 1 . SER 12 12 10213 1 . LEU 13 13 10213 1 . ILE 14 14 10213 1 . THR 15 15 10213 1 . SER 16 16 10213 1 . ASP 17 17 10213 1 . LYS 18 18 10213 1 . GLY 19 19 10213 1 . PHE 20 20 10213 1 . VAL 21 21 10213 1 . THR 22 22 10213 1 . MET 23 23 10213 1 . THR 24 24 10213 1 . LEU 25 25 10213 1 . GLU 26 26 10213 1 . SER 27 27 10213 1 . LEU 28 28 10213 1 . GLU 29 29 10213 1 . GLU 30 30 10213 1 . ILE 31 31 10213 1 . GLN 32 32 10213 1 . ASP 33 33 10213 1 . VAL 34 34 10213 1 . SER 35 35 10213 1 . CYS 36 36 10213 1 . ALA 37 37 10213 1 . TRP 38 38 10213 1 . LYS 39 39 10213 1 . GLU 40 40 10213 1 . LEU 41 41 10213 1 . ASN 42 42 10213 1 . ARG 43 43 10213 1 . LYS 44 44 10213 1 . LEU 45 45 10213 1 . SER 46 46 10213 1 . SER 47 47 10213 1 . ASN 48 48 10213 1 . ALA 49 49 10213 1 . VAL 50 50 10213 1 . SER 51 51 10213 1 . GLN 52 52 10213 1 . ILE 53 53 10213 1 . THR 54 54 10213 1 . ARG 55 55 10213 1 . MET 56 56 10213 1 . CYS 57 57 10213 1 . LEU 58 58 10213 1 . LEU 59 59 10213 1 . LYS 60 60 10213 1 . GLY 61 61 10213 1 . ASN 62 62 10213 1 . MET 63 63 10213 1 . GLY 64 64 10213 1 . VAL 65 65 10213 1 . CYS 66 66 10213 1 . PHE 67 67 10213 1 . ASP 68 68 10213 1 . VAL 69 69 10213 1 . PRO 70 70 10213 1 . THR 71 71 10213 1 . THR 72 72 10213 1 . GLU 73 73 10213 1 . SER 74 74 10213 1 . GLU 75 75 10213 1 . ARG 76 76 10213 1 . LEU 77 77 10213 1 . GLN 78 78 10213 1 . ALA 79 79 10213 1 . GLU 80 80 10213 1 . TRP 81 81 10213 1 . HIS 82 82 10213 1 . ASP 83 83 10213 1 . SER 84 84 10213 1 . ASP 85 85 10213 1 . TRP 86 86 10213 1 . ILE 87 87 10213 1 . LEU 88 88 10213 1 . SER 89 89 10213 1 . VAL 90 90 10213 1 . PRO 91 91 10213 1 . ALA 92 92 10213 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 10213 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10213 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 10213 _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 $entity_1 . 'Cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P060403-01 . . . . . . 10213 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10213 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GUCT domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.9 . . mM . . . . 10213 1 2 d-TrisHCl . . . . . . buffer 20 . . mM . . . . 10213 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10213 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10213 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10213 1 6 H2O . . . . . . solvent 90 . . % . . . . 10213 1 7 D2O . . . . . . solvent 10 . . % . . . . 10213 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10213 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10213 1 pH 7.0 0.05 pH 10213 1 pressure 1 0.001 atm 10213 1 temperature 296 0.1 K 10213 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10213 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10213 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10213 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10213 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10213 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10213 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10213 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10213 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10213 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10213 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10213 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10213 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10213 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10213 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10213 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10213 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, R.' . . 10213 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10213 6 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 10213 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10213 _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 . 800 . . . 10213 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 10213 _Experiment_list.ID 1 _Experiment_list.Details ; The structure of the GUCT domain (2E29) was determined using the NOE constraints and the RDC (residual dipolar coupling) constraints. ; 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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10213 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10213 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10213 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 10213 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10213 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10213 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10213 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10213 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10213 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 6 6 SER CA C 13 58.720 0.300 . 1 . . . . 6 SER CA . 10213 1 2 . 1 1 6 6 SER HA H 1 4.456 0.030 . 1 . . . . 6 SER HA . 10213 1 3 . 1 1 6 6 SER CB C 13 63.880 0.300 . 1 . . . . 6 SER CB . 10213 1 4 . 1 1 6 6 SER HB2 H 1 3.888 0.030 . 1 . . . . 6 SER HB2 . 10213 1 5 . 1 1 6 6 SER HB3 H 1 3.888 0.030 . 1 . . . . 6 SER HB3 . 10213 1 6 . 1 1 6 6 SER C C 13 174.951 0.300 . 1 . . . . 6 SER C . 10213 1 7 . 1 1 7 7 GLY N N 15 110.558 0.300 . 1 . . . . 7 GLY N . 10213 1 8 . 1 1 7 7 GLY H H 1 8.377 0.030 . 1 . . . . 7 GLY H . 10213 1 9 . 1 1 7 7 GLY CA C 13 45.205 0.300 . 1 . . . . 7 GLY CA . 10213 1 10 . 1 1 7 7 GLY HA2 H 1 3.879 0.030 . 2 . . . . 7 GLY HA2 . 10213 1 11 . 1 1 7 7 GLY HA3 H 1 3.910 0.030 . 2 . . . . 7 GLY HA3 . 10213 1 12 . 1 1 7 7 GLY C C 13 173.615 0.300 . 1 . . . . 7 GLY C . 10213 1 13 . 1 1 8 8 PHE N N 15 119.857 0.300 . 1 . . . . 8 PHE N . 10213 1 14 . 1 1 8 8 PHE H H 1 8.062 0.030 . 1 . . . . 8 PHE H . 10213 1 15 . 1 1 8 8 PHE CA C 13 57.418 0.300 . 1 . . . . 8 PHE CA . 10213 1 16 . 1 1 8 8 PHE HA H 1 4.624 0.030 . 1 . . . . 8 PHE HA . 10213 1 17 . 1 1 8 8 PHE CB C 13 39.749 0.300 . 1 . . . . 8 PHE CB . 10213 1 18 . 1 1 8 8 PHE HB2 H 1 2.978 0.030 . 2 . . . . 8 PHE HB2 . 10213 1 19 . 1 1 8 8 PHE HB3 H 1 3.079 0.030 . 2 . . . . 8 PHE HB3 . 10213 1 20 . 1 1 8 8 PHE CD1 C 13 131.623 0.300 . 1 . . . . 8 PHE CD1 . 10213 1 21 . 1 1 8 8 PHE HD1 H 1 7.194 0.030 . 1 . . . . 8 PHE HD1 . 10213 1 22 . 1 1 8 8 PHE CD2 C 13 131.623 0.300 . 1 . . . . 8 PHE CD2 . 10213 1 23 . 1 1 8 8 PHE HD2 H 1 7.194 0.030 . 1 . . . . 8 PHE HD2 . 10213 1 24 . 1 1 8 8 PHE CE1 C 13 131.610 0.300 . 1 . . . . 8 PHE CE1 . 10213 1 25 . 1 1 8 8 PHE HE1 H 1 7.319 0.030 . 1 . . . . 8 PHE HE1 . 10213 1 26 . 1 1 8 8 PHE CE2 C 13 131.610 0.300 . 1 . . . . 8 PHE CE2 . 10213 1 27 . 1 1 8 8 PHE HE2 H 1 7.319 0.030 . 1 . . . . 8 PHE HE2 . 10213 1 28 . 1 1 8 8 PHE CZ C 13 129.756 0.300 . 1 . . . . 8 PHE CZ . 10213 1 29 . 1 1 8 8 PHE HZ H 1 7.281 0.030 . 1 . . . . 8 PHE HZ . 10213 1 30 . 1 1 8 8 PHE C C 13 175.242 0.300 . 1 . . . . 8 PHE C . 10213 1 31 . 1 1 9 9 GLU N N 15 124.807 0.300 . 1 . . . . 9 GLU N . 10213 1 32 . 1 1 9 9 GLU H H 1 8.311 0.030 . 1 . . . . 9 GLU H . 10213 1 33 . 1 1 9 9 GLU CA C 13 54.034 0.300 . 1 . . . . 9 GLU CA . 10213 1 34 . 1 1 9 9 GLU HA H 1 4.546 0.030 . 1 . . . . 9 GLU HA . 10213 1 35 . 1 1 9 9 GLU CB C 13 29.859 0.300 . 1 . . . . 9 GLU CB . 10213 1 36 . 1 1 9 9 GLU HB2 H 1 1.838 0.030 . 2 . . . . 9 GLU HB2 . 10213 1 37 . 1 1 9 9 GLU HB3 H 1 1.959 0.030 . 2 . . . . 9 GLU HB3 . 10213 1 38 . 1 1 9 9 GLU CG C 13 35.988 0.300 . 1 . . . . 9 GLU CG . 10213 1 39 . 1 1 9 9 GLU HG2 H 1 2.221 0.030 . 2 . . . . 9 GLU HG2 . 10213 1 40 . 1 1 9 9 GLU C C 13 174.125 0.300 . 1 . . . . 9 GLU C . 10213 1 41 . 1 1 10 10 PRO CA C 13 63.366 0.300 . 1 . . . . 10 PRO CA . 10213 1 42 . 1 1 10 10 PRO HA H 1 4.334 0.030 . 1 . . . . 10 PRO HA . 10213 1 43 . 1 1 10 10 PRO CB C 13 32.033 0.300 . 1 . . . . 10 PRO CB . 10213 1 44 . 1 1 10 10 PRO HB2 H 1 1.907 0.030 . 2 . . . . 10 PRO HB2 . 10213 1 45 . 1 1 10 10 PRO HB3 H 1 2.289 0.030 . 2 . . . . 10 PRO HB3 . 10213 1 46 . 1 1 10 10 PRO CG C 13 27.390 0.300 . 1 . . . . 10 PRO CG . 10213 1 47 . 1 1 10 10 PRO HG2 H 1 1.989 0.030 . 2 . . . . 10 PRO HG2 . 10213 1 48 . 1 1 10 10 PRO HG3 H 1 2.009 0.030 . 2 . . . . 10 PRO HG3 . 10213 1 49 . 1 1 10 10 PRO CD C 13 50.713 0.300 . 1 . . . . 10 PRO CD . 10213 1 50 . 1 1 10 10 PRO HD2 H 1 3.669 0.030 . 1 . . . . 10 PRO HD2 . 10213 1 51 . 1 1 10 10 PRO HD3 H 1 3.669 0.030 . 1 . . . . 10 PRO HD3 . 10213 1 52 . 1 1 10 10 PRO C C 13 177.062 0.300 . 1 . . . . 10 PRO C . 10213 1 53 . 1 1 11 11 ARG N N 15 120.726 0.300 . 1 . . . . 11 ARG N . 10213 1 54 . 1 1 11 11 ARG H H 1 8.477 0.030 . 1 . . . . 11 ARG H . 10213 1 55 . 1 1 11 11 ARG CA C 13 56.175 0.300 . 1 . . . . 11 ARG CA . 10213 1 56 . 1 1 11 11 ARG HA H 1 4.318 0.030 . 1 . . . . 11 ARG HA . 10213 1 57 . 1 1 11 11 ARG CB C 13 30.831 0.300 . 1 . . . . 11 ARG CB . 10213 1 58 . 1 1 11 11 ARG HB2 H 1 1.841 0.030 . 2 . . . . 11 ARG HB2 . 10213 1 59 . 1 1 11 11 ARG HB3 H 1 1.760 0.030 . 2 . . . . 11 ARG HB3 . 10213 1 60 . 1 1 11 11 ARG CG C 13 26.966 0.300 . 1 . . . . 11 ARG CG . 10213 1 61 . 1 1 11 11 ARG HG2 H 1 1.656 0.030 . 2 . . . . 11 ARG HG2 . 10213 1 62 . 1 1 11 11 ARG HG3 H 1 1.616 0.030 . 2 . . . . 11 ARG HG3 . 10213 1 63 . 1 1 11 11 ARG CD C 13 43.357 0.300 . 1 . . . . 11 ARG CD . 10213 1 64 . 1 1 11 11 ARG HD2 H 1 3.184 0.030 . 1 . . . . 11 ARG HD2 . 10213 1 65 . 1 1 11 11 ARG HD3 H 1 3.184 0.030 . 1 . . . . 11 ARG HD3 . 10213 1 66 . 1 1 11 11 ARG C C 13 176.455 0.300 . 1 . . . . 11 ARG C . 10213 1 67 . 1 1 12 12 SER N N 15 116.599 0.300 . 1 . . . . 12 SER N . 10213 1 68 . 1 1 12 12 SER H H 1 8.289 0.030 . 1 . . . . 12 SER H . 10213 1 69 . 1 1 12 12 SER CA C 13 58.330 0.300 . 1 . . . . 12 SER CA . 10213 1 70 . 1 1 12 12 SER HA H 1 4.396 0.030 . 1 . . . . 12 SER HA . 10213 1 71 . 1 1 12 12 SER CB C 13 63.633 0.300 . 1 . . . . 12 SER CB . 10213 1 72 . 1 1 12 12 SER HB2 H 1 3.831 0.030 . 1 . . . . 12 SER HB2 . 10213 1 73 . 1 1 12 12 SER HB3 H 1 3.831 0.030 . 1 . . . . 12 SER HB3 . 10213 1 74 . 1 1 12 12 SER C C 13 174.465 0.300 . 1 . . . . 12 SER C . 10213 1 75 . 1 1 13 13 LEU N N 15 124.186 0.300 . 1 . . . . 13 LEU N . 10213 1 76 . 1 1 13 13 LEU H H 1 8.275 0.030 . 1 . . . . 13 LEU H . 10213 1 77 . 1 1 13 13 LEU CA C 13 55.306 0.300 . 1 . . . . 13 LEU CA . 10213 1 78 . 1 1 13 13 LEU HA H 1 4.361 0.030 . 1 . . . . 13 LEU HA . 10213 1 79 . 1 1 13 13 LEU CB C 13 42.350 0.300 . 1 . . . . 13 LEU CB . 10213 1 80 . 1 1 13 13 LEU HB2 H 1 1.615 0.030 . 1 . . . . 13 LEU HB2 . 10213 1 81 . 1 1 13 13 LEU HB3 H 1 1.615 0.030 . 1 . . . . 13 LEU HB3 . 10213 1 82 . 1 1 13 13 LEU CG C 13 27.117 0.300 . 1 . . . . 13 LEU CG . 10213 1 83 . 1 1 13 13 LEU HG H 1 1.619 0.030 . 1 . . . . 13 LEU HG . 10213 1 84 . 1 1 13 13 LEU CD1 C 13 24.957 0.300 . 2 . . . . 13 LEU CD1 . 10213 1 85 . 1 1 13 13 LEU HD11 H 1 0.903 0.030 . 1 . . . . 13 LEU HD1 . 10213 1 86 . 1 1 13 13 LEU HD12 H 1 0.903 0.030 . 1 . . . . 13 LEU HD1 . 10213 1 87 . 1 1 13 13 LEU HD13 H 1 0.903 0.030 . 1 . . . . 13 LEU HD1 . 10213 1 88 . 1 1 13 13 LEU CD2 C 13 23.458 0.300 . 2 . . . . 13 LEU CD2 . 10213 1 89 . 1 1 13 13 LEU HD21 H 1 0.844 0.030 . 1 . . . . 13 LEU HD2 . 10213 1 90 . 1 1 13 13 LEU HD22 H 1 0.844 0.030 . 1 . . . . 13 LEU HD2 . 10213 1 91 . 1 1 13 13 LEU HD23 H 1 0.844 0.030 . 1 . . . . 13 LEU HD2 . 10213 1 92 . 1 1 13 13 LEU C C 13 177.184 0.300 . 1 . . . . 13 LEU C . 10213 1 93 . 1 1 14 14 ILE N N 15 121.445 0.300 . 1 . . . . 14 ILE N . 10213 1 94 . 1 1 14 14 ILE H H 1 8.106 0.030 . 1 . . . . 14 ILE H . 10213 1 95 . 1 1 14 14 ILE CA C 13 61.248 0.300 . 1 . . . . 14 ILE CA . 10213 1 96 . 1 1 14 14 ILE HA H 1 4.202 0.030 . 1 . . . . 14 ILE HA . 10213 1 97 . 1 1 14 14 ILE CB C 13 38.555 0.300 . 1 . . . . 14 ILE CB . 10213 1 98 . 1 1 14 14 ILE HB H 1 1.861 0.030 . 1 . . . . 14 ILE HB . 10213 1 99 . 1 1 14 14 ILE CG1 C 13 27.296 0.300 . 1 . . . . 14 ILE CG1 . 10213 1 100 . 1 1 14 14 ILE HG12 H 1 1.470 0.030 . 2 . . . . 14 ILE HG12 . 10213 1 101 . 1 1 14 14 ILE HG13 H 1 1.167 0.030 . 2 . . . . 14 ILE HG13 . 10213 1 102 . 1 1 14 14 ILE CG2 C 13 17.564 0.300 . 1 . . . . 14 ILE CG2 . 10213 1 103 . 1 1 14 14 ILE HG21 H 1 0.894 0.030 . 1 . . . . 14 ILE HG2 . 10213 1 104 . 1 1 14 14 ILE HG22 H 1 0.894 0.030 . 1 . . . . 14 ILE HG2 . 10213 1 105 . 1 1 14 14 ILE HG23 H 1 0.894 0.030 . 1 . . . . 14 ILE HG2 . 10213 1 106 . 1 1 14 14 ILE CD1 C 13 12.822 0.300 . 1 . . . . 14 ILE CD1 . 10213 1 107 . 1 1 14 14 ILE HD11 H 1 0.834 0.030 . 1 . . . . 14 ILE HD1 . 10213 1 108 . 1 1 14 14 ILE HD12 H 1 0.834 0.030 . 1 . . . . 14 ILE HD1 . 10213 1 109 . 1 1 14 14 ILE HD13 H 1 0.834 0.030 . 1 . . . . 14 ILE HD1 . 10213 1 110 . 1 1 14 14 ILE C C 13 176.528 0.300 . 1 . . . . 14 ILE C . 10213 1 111 . 1 1 15 15 THR N N 15 118.053 0.300 . 1 . . . . 15 THR N . 10213 1 112 . 1 1 15 15 THR H H 1 8.226 0.030 . 1 . . . . 15 THR H . 10213 1 113 . 1 1 15 15 THR CA C 13 61.573 0.300 . 1 . . . . 15 THR CA . 10213 1 114 . 1 1 15 15 THR HA H 1 4.401 0.030 . 1 . . . . 15 THR HA . 10213 1 115 . 1 1 15 15 THR CB C 13 69.795 0.300 . 1 . . . . 15 THR CB . 10213 1 116 . 1 1 15 15 THR HB H 1 4.242 0.030 . 1 . . . . 15 THR HB . 10213 1 117 . 1 1 15 15 THR CG2 C 13 21.558 0.300 . 1 . . . . 15 THR CG2 . 10213 1 118 . 1 1 15 15 THR HG21 H 1 1.178 0.030 . 1 . . . . 15 THR HG2 . 10213 1 119 . 1 1 15 15 THR HG22 H 1 1.178 0.030 . 1 . . . . 15 THR HG2 . 10213 1 120 . 1 1 15 15 THR HG23 H 1 1.178 0.030 . 1 . . . . 15 THR HG2 . 10213 1 121 . 1 1 15 15 THR C C 13 174.538 0.300 . 1 . . . . 15 THR C . 10213 1 122 . 1 1 16 16 SER N N 15 117.877 0.300 . 1 . . . . 16 SER N . 10213 1 123 . 1 1 16 16 SER H H 1 8.272 0.030 . 1 . . . . 16 SER H . 10213 1 124 . 1 1 16 16 SER CA C 13 55.830 0.300 . 1 . . . . 16 SER CA . 10213 1 125 . 1 1 16 16 SER HA H 1 4.448 0.030 . 1 . . . . 16 SER HA . 10213 1 126 . 1 1 16 16 SER CB C 13 63.880 0.300 . 1 . . . . 16 SER CB . 10213 1 127 . 1 1 16 16 SER HB2 H 1 3.843 0.030 . 1 . . . . 16 SER HB2 . 10213 1 128 . 1 1 16 16 SER HB3 H 1 3.843 0.030 . 1 . . . . 16 SER HB3 . 10213 1 129 . 1 1 16 16 SER C C 13 174.247 0.300 . 1 . . . . 16 SER C . 10213 1 130 . 1 1 17 17 ASP N N 15 122.892 0.300 . 1 . . . . 17 ASP N . 10213 1 131 . 1 1 17 17 ASP H H 1 8.425 0.030 . 1 . . . . 17 ASP H . 10213 1 132 . 1 1 17 17 ASP CA C 13 54.461 0.300 . 1 . . . . 17 ASP CA . 10213 1 133 . 1 1 17 17 ASP HA H 1 4.611 0.030 . 1 . . . . 17 ASP HA . 10213 1 134 . 1 1 17 17 ASP CB C 13 41.340 0.300 . 1 . . . . 17 ASP CB . 10213 1 135 . 1 1 17 17 ASP HB2 H 1 2.630 0.030 . 2 . . . . 17 ASP HB2 . 10213 1 136 . 1 1 17 17 ASP HB3 H 1 2.705 0.030 . 2 . . . . 17 ASP HB3 . 10213 1 137 . 1 1 17 17 ASP C C 13 176.358 0.300 . 1 . . . . 17 ASP C . 10213 1 138 . 1 1 18 18 LYS N N 15 121.459 0.300 . 1 . . . . 18 LYS N . 10213 1 139 . 1 1 18 18 LYS H H 1 8.349 0.030 . 1 . . . . 18 LYS H . 10213 1 140 . 1 1 18 18 LYS CA C 13 56.526 0.300 . 1 . . . . 18 LYS CA . 10213 1 141 . 1 1 18 18 LYS HA H 1 4.356 0.030 . 1 . . . . 18 LYS HA . 10213 1 142 . 1 1 18 18 LYS CB C 13 32.744 0.300 . 1 . . . . 18 LYS CB . 10213 1 143 . 1 1 18 18 LYS HB2 H 1 1.904 0.030 . 2 . . . . 18 LYS HB2 . 10213 1 144 . 1 1 18 18 LYS HB3 H 1 1.777 0.030 . 2 . . . . 18 LYS HB3 . 10213 1 145 . 1 1 18 18 LYS CG C 13 24.720 0.300 . 1 . . . . 18 LYS CG . 10213 1 146 . 1 1 18 18 LYS HG2 H 1 1.411 0.030 . 2 . . . . 18 LYS HG2 . 10213 1 147 . 1 1 18 18 LYS HG3 H 1 1.459 0.030 . 2 . . . . 18 LYS HG3 . 10213 1 148 . 1 1 18 18 LYS CD C 13 29.046 0.300 . 1 . . . . 18 LYS CD . 10213 1 149 . 1 1 18 18 LYS HD2 H 1 1.667 0.030 . 2 . . . . 18 LYS HD2 . 10213 1 150 . 1 1 18 18 LYS CE C 13 42.109 0.300 . 1 . . . . 18 LYS CE . 10213 1 151 . 1 1 18 18 LYS HE2 H 1 2.970 0.030 . 2 . . . . 18 LYS HE2 . 10213 1 152 . 1 1 18 18 LYS C C 13 177.305 0.300 . 1 . . . . 18 LYS C . 10213 1 153 . 1 1 19 19 GLY N N 15 109.072 0.300 . 1 . . . . 19 GLY N . 10213 1 154 . 1 1 19 19 GLY H H 1 8.533 0.030 . 1 . . . . 19 GLY H . 10213 1 155 . 1 1 19 19 GLY CA C 13 45.451 0.300 . 1 . . . . 19 GLY CA . 10213 1 156 . 1 1 19 19 GLY HA2 H 1 3.884 0.030 . 2 . . . . 19 GLY HA2 . 10213 1 157 . 1 1 19 19 GLY HA3 H 1 3.960 0.030 . 2 . . . . 19 GLY HA3 . 10213 1 158 . 1 1 19 19 GLY C C 13 174.028 0.300 . 1 . . . . 19 GLY C . 10213 1 159 . 1 1 20 20 PHE N N 15 119.395 0.300 . 1 . . . . 20 PHE N . 10213 1 160 . 1 1 20 20 PHE H H 1 8.014 0.030 . 1 . . . . 20 PHE H . 10213 1 161 . 1 1 20 20 PHE CA C 13 56.992 0.300 . 1 . . . . 20 PHE CA . 10213 1 162 . 1 1 20 20 PHE HA H 1 5.166 0.030 . 1 . . . . 20 PHE HA . 10213 1 163 . 1 1 20 20 PHE CB C 13 43.122 0.300 . 1 . . . . 20 PHE CB . 10213 1 164 . 1 1 20 20 PHE HB2 H 1 2.774 0.030 . 1 . . . . 20 PHE HB2 . 10213 1 165 . 1 1 20 20 PHE HB3 H 1 2.774 0.030 . 1 . . . . 20 PHE HB3 . 10213 1 166 . 1 1 20 20 PHE CD1 C 13 131.663 0.300 . 1 . . . . 20 PHE CD1 . 10213 1 167 . 1 1 20 20 PHE HD1 H 1 6.948 0.030 . 1 . . . . 20 PHE HD1 . 10213 1 168 . 1 1 20 20 PHE CD2 C 13 131.663 0.300 . 1 . . . . 20 PHE CD2 . 10213 1 169 . 1 1 20 20 PHE HD2 H 1 6.948 0.030 . 1 . . . . 20 PHE HD2 . 10213 1 170 . 1 1 20 20 PHE CE1 C 13 131.614 0.300 . 1 . . . . 20 PHE CE1 . 10213 1 171 . 1 1 20 20 PHE HE1 H 1 7.376 0.030 . 1 . . . . 20 PHE HE1 . 10213 1 172 . 1 1 20 20 PHE CE2 C 13 131.614 0.300 . 1 . . . . 20 PHE CE2 . 10213 1 173 . 1 1 20 20 PHE HE2 H 1 7.376 0.030 . 1 . . . . 20 PHE HE2 . 10213 1 174 . 1 1 20 20 PHE CZ C 13 129.764 0.300 . 1 . . . . 20 PHE CZ . 10213 1 175 . 1 1 20 20 PHE HZ H 1 7.355 0.030 . 1 . . . . 20 PHE HZ . 10213 1 176 . 1 1 20 20 PHE C C 13 174.247 0.300 . 1 . . . . 20 PHE C . 10213 1 177 . 1 1 21 21 VAL N N 15 119.613 0.300 . 1 . . . . 21 VAL N . 10213 1 178 . 1 1 21 21 VAL H H 1 9.282 0.030 . 1 . . . . 21 VAL H . 10213 1 179 . 1 1 21 21 VAL CA C 13 60.286 0.300 . 1 . . . . 21 VAL CA . 10213 1 180 . 1 1 21 21 VAL HA H 1 4.403 0.030 . 1 . . . . 21 VAL HA . 10213 1 181 . 1 1 21 21 VAL CB C 13 35.624 0.300 . 1 . . . . 21 VAL CB . 10213 1 182 . 1 1 21 21 VAL HB H 1 1.906 0.030 . 1 . . . . 21 VAL HB . 10213 1 183 . 1 1 21 21 VAL CG1 C 13 21.302 0.300 . 2 . . . . 21 VAL CG1 . 10213 1 184 . 1 1 21 21 VAL HG11 H 1 0.919 0.030 . 1 . . . . 21 VAL HG1 . 10213 1 185 . 1 1 21 21 VAL HG12 H 1 0.919 0.030 . 1 . . . . 21 VAL HG1 . 10213 1 186 . 1 1 21 21 VAL HG13 H 1 0.919 0.030 . 1 . . . . 21 VAL HG1 . 10213 1 187 . 1 1 21 21 VAL CG2 C 13 21.484 0.300 . 2 . . . . 21 VAL CG2 . 10213 1 188 . 1 1 21 21 VAL HG21 H 1 0.966 0.030 . 1 . . . . 21 VAL HG2 . 10213 1 189 . 1 1 21 21 VAL HG22 H 1 0.966 0.030 . 1 . . . . 21 VAL HG2 . 10213 1 190 . 1 1 21 21 VAL HG23 H 1 0.966 0.030 . 1 . . . . 21 VAL HG2 . 10213 1 191 . 1 1 21 21 VAL C C 13 174.077 0.300 . 1 . . . . 21 VAL C . 10213 1 192 . 1 1 22 22 THR N N 15 123.150 0.300 . 1 . . . . 22 THR N . 10213 1 193 . 1 1 22 22 THR H H 1 8.226 0.030 . 1 . . . . 22 THR H . 10213 1 194 . 1 1 22 22 THR CA C 13 61.672 0.300 . 1 . . . . 22 THR CA . 10213 1 195 . 1 1 22 22 THR HA H 1 5.214 0.030 . 1 . . . . 22 THR HA . 10213 1 196 . 1 1 22 22 THR CB C 13 69.636 0.300 . 1 . . . . 22 THR CB . 10213 1 197 . 1 1 22 22 THR HB H 1 3.700 0.030 . 1 . . . . 22 THR HB . 10213 1 198 . 1 1 22 22 THR CG2 C 13 22.184 0.300 . 1 . . . . 22 THR CG2 . 10213 1 199 . 1 1 22 22 THR HG21 H 1 1.081 0.030 . 1 . . . . 22 THR HG2 . 10213 1 200 . 1 1 22 22 THR HG22 H 1 1.081 0.030 . 1 . . . . 22 THR HG2 . 10213 1 201 . 1 1 22 22 THR HG23 H 1 1.081 0.030 . 1 . . . . 22 THR HG2 . 10213 1 202 . 1 1 22 22 THR C C 13 174.319 0.300 . 1 . . . . 22 THR C . 10213 1 203 . 1 1 23 23 MET N N 15 125.701 0.300 . 1 . . . . 23 MET N . 10213 1 204 . 1 1 23 23 MET H H 1 9.254 0.030 . 1 . . . . 23 MET H . 10213 1 205 . 1 1 23 23 MET CA C 13 54.250 0.300 . 1 . . . . 23 MET CA . 10213 1 206 . 1 1 23 23 MET HA H 1 4.680 0.030 . 1 . . . . 23 MET HA . 10213 1 207 . 1 1 23 23 MET CB C 13 34.967 0.300 . 1 . . . . 23 MET CB . 10213 1 208 . 1 1 23 23 MET HB2 H 1 0.700 0.030 . 2 . . . . 23 MET HB2 . 10213 1 209 . 1 1 23 23 MET HB3 H 1 1.588 0.030 . 2 . . . . 23 MET HB3 . 10213 1 210 . 1 1 23 23 MET CG C 13 33.524 0.300 . 1 . . . . 23 MET CG . 10213 1 211 . 1 1 23 23 MET HG2 H 1 2.099 0.030 . 2 . . . . 23 MET HG2 . 10213 1 212 . 1 1 23 23 MET HG3 H 1 2.318 0.030 . 2 . . . . 23 MET HG3 . 10213 1 213 . 1 1 23 23 MET CE C 13 18.049 0.300 . 1 . . . . 23 MET CE . 10213 1 214 . 1 1 23 23 MET HE1 H 1 1.886 0.030 . 1 . . . . 23 MET HE . 10213 1 215 . 1 1 23 23 MET HE2 H 1 1.886 0.030 . 1 . . . . 23 MET HE . 10213 1 216 . 1 1 23 23 MET HE3 H 1 1.886 0.030 . 1 . . . . 23 MET HE . 10213 1 217 . 1 1 23 23 MET C C 13 174.028 0.300 . 1 . . . . 23 MET C . 10213 1 218 . 1 1 24 24 THR N N 15 109.251 0.300 . 1 . . . . 24 THR N . 10213 1 219 . 1 1 24 24 THR H H 1 8.410 0.030 . 1 . . . . 24 THR H . 10213 1 220 . 1 1 24 24 THR CA C 13 59.952 0.300 . 1 . . . . 24 THR CA . 10213 1 221 . 1 1 24 24 THR HA H 1 4.838 0.030 . 1 . . . . 24 THR HA . 10213 1 222 . 1 1 24 24 THR CB C 13 71.427 0.300 . 1 . . . . 24 THR CB . 10213 1 223 . 1 1 24 24 THR HB H 1 3.923 0.030 . 1 . . . . 24 THR HB . 10213 1 224 . 1 1 24 24 THR CG2 C 13 21.833 0.300 . 1 . . . . 24 THR CG2 . 10213 1 225 . 1 1 24 24 THR HG21 H 1 0.967 0.030 . 1 . . . . 24 THR HG2 . 10213 1 226 . 1 1 24 24 THR HG22 H 1 0.967 0.030 . 1 . . . . 24 THR HG2 . 10213 1 227 . 1 1 24 24 THR HG23 H 1 0.967 0.030 . 1 . . . . 24 THR HG2 . 10213 1 228 . 1 1 24 24 THR C C 13 172.353 0.300 . 1 . . . . 24 THR C . 10213 1 229 . 1 1 25 25 LEU N N 15 125.384 0.300 . 1 . . . . 25 LEU N . 10213 1 230 . 1 1 25 25 LEU H H 1 8.901 0.030 . 1 . . . . 25 LEU H . 10213 1 231 . 1 1 25 25 LEU CA C 13 53.373 0.300 . 1 . . . . 25 LEU CA . 10213 1 232 . 1 1 25 25 LEU HA H 1 5.333 0.030 . 1 . . . . 25 LEU HA . 10213 1 233 . 1 1 25 25 LEU CB C 13 45.607 0.300 . 1 . . . . 25 LEU CB . 10213 1 234 . 1 1 25 25 LEU HB2 H 1 2.009 0.030 . 2 . . . . 25 LEU HB2 . 10213 1 235 . 1 1 25 25 LEU HB3 H 1 1.008 0.030 . 2 . . . . 25 LEU HB3 . 10213 1 236 . 1 1 25 25 LEU CG C 13 27.412 0.300 . 1 . . . . 25 LEU CG . 10213 1 237 . 1 1 25 25 LEU HG H 1 1.678 0.030 . 1 . . . . 25 LEU HG . 10213 1 238 . 1 1 25 25 LEU CD1 C 13 24.560 0.300 . 2 . . . . 25 LEU CD1 . 10213 1 239 . 1 1 25 25 LEU HD11 H 1 0.344 0.030 . 1 . . . . 25 LEU HD1 . 10213 1 240 . 1 1 25 25 LEU HD12 H 1 0.344 0.030 . 1 . . . . 25 LEU HD1 . 10213 1 241 . 1 1 25 25 LEU HD13 H 1 0.344 0.030 . 1 . . . . 25 LEU HD1 . 10213 1 242 . 1 1 25 25 LEU CD2 C 13 25.299 0.300 . 2 . . . . 25 LEU CD2 . 10213 1 243 . 1 1 25 25 LEU HD21 H 1 0.250 0.030 . 1 . . . . 25 LEU HD2 . 10213 1 244 . 1 1 25 25 LEU HD22 H 1 0.250 0.030 . 1 . . . . 25 LEU HD2 . 10213 1 245 . 1 1 25 25 LEU HD23 H 1 0.250 0.030 . 1 . . . . 25 LEU HD2 . 10213 1 246 . 1 1 25 25 LEU C C 13 175.606 0.300 . 1 . . . . 25 LEU C . 10213 1 247 . 1 1 26 26 GLU N N 15 125.482 0.300 . 1 . . . . 26 GLU N . 10213 1 248 . 1 1 26 26 GLU H H 1 9.147 0.030 . 1 . . . . 26 GLU H . 10213 1 249 . 1 1 26 26 GLU CA C 13 56.010 0.300 . 1 . . . . 26 GLU CA . 10213 1 250 . 1 1 26 26 GLU HA H 1 4.922 0.030 . 1 . . . . 26 GLU HA . 10213 1 251 . 1 1 26 26 GLU CB C 13 33.588 0.300 . 1 . . . . 26 GLU CB . 10213 1 252 . 1 1 26 26 GLU HB2 H 1 1.900 0.030 . 2 . . . . 26 GLU HB2 . 10213 1 253 . 1 1 26 26 GLU HB3 H 1 2.114 0.030 . 2 . . . . 26 GLU HB3 . 10213 1 254 . 1 1 26 26 GLU CG C 13 37.368 0.300 . 1 . . . . 26 GLU CG . 10213 1 255 . 1 1 26 26 GLU HG2 H 1 2.041 0.030 . 2 . . . . 26 GLU HG2 . 10213 1 256 . 1 1 26 26 GLU HG3 H 1 2.190 0.030 . 2 . . . . 26 GLU HG3 . 10213 1 257 . 1 1 26 26 GLU C C 13 175.387 0.300 . 1 . . . . 26 GLU C . 10213 1 258 . 1 1 27 27 SER N N 15 118.827 0.300 . 1 . . . . 27 SER N . 10213 1 259 . 1 1 27 27 SER H H 1 8.432 0.030 . 1 . . . . 27 SER H . 10213 1 260 . 1 1 27 27 SER CA C 13 55.236 0.300 . 1 . . . . 27 SER CA . 10213 1 261 . 1 1 27 27 SER HA H 1 3.720 0.030 . 1 . . . . 27 SER HA . 10213 1 262 . 1 1 27 27 SER CB C 13 63.703 0.300 . 1 . . . . 27 SER CB . 10213 1 263 . 1 1 27 27 SER HB2 H 1 2.200 0.030 . 2 . . . . 27 SER HB2 . 10213 1 264 . 1 1 27 27 SER HB3 H 1 2.612 0.030 . 2 . . . . 27 SER HB3 . 10213 1 265 . 1 1 27 27 SER C C 13 173.980 0.300 . 1 . . . . 27 SER C . 10213 1 266 . 1 1 28 28 LEU N N 15 121.319 0.300 . 1 . . . . 28 LEU N . 10213 1 267 . 1 1 28 28 LEU H H 1 7.990 0.030 . 1 . . . . 28 LEU H . 10213 1 268 . 1 1 28 28 LEU CA C 13 55.887 0.300 . 1 . . . . 28 LEU CA . 10213 1 269 . 1 1 28 28 LEU HA H 1 4.071 0.030 . 1 . . . . 28 LEU HA . 10213 1 270 . 1 1 28 28 LEU CB C 13 42.184 0.300 . 1 . . . . 28 LEU CB . 10213 1 271 . 1 1 28 28 LEU HB2 H 1 1.476 0.030 . 2 . . . . 28 LEU HB2 . 10213 1 272 . 1 1 28 28 LEU HB3 H 1 1.561 0.030 . 2 . . . . 28 LEU HB3 . 10213 1 273 . 1 1 28 28 LEU CG C 13 26.757 0.300 . 1 . . . . 28 LEU CG . 10213 1 274 . 1 1 28 28 LEU HG H 1 1.643 0.030 . 1 . . . . 28 LEU HG . 10213 1 275 . 1 1 28 28 LEU CD1 C 13 25.347 0.300 . 2 . . . . 28 LEU CD1 . 10213 1 276 . 1 1 28 28 LEU HD11 H 1 0.882 0.030 . 1 . . . . 28 LEU HD1 . 10213 1 277 . 1 1 28 28 LEU HD12 H 1 0.882 0.030 . 1 . . . . 28 LEU HD1 . 10213 1 278 . 1 1 28 28 LEU HD13 H 1 0.882 0.030 . 1 . . . . 28 LEU HD1 . 10213 1 279 . 1 1 28 28 LEU CD2 C 13 22.667 0.300 . 2 . . . . 28 LEU CD2 . 10213 1 280 . 1 1 28 28 LEU HD21 H 1 0.808 0.030 . 1 . . . . 28 LEU HD2 . 10213 1 281 . 1 1 28 28 LEU HD22 H 1 0.808 0.030 . 1 . . . . 28 LEU HD2 . 10213 1 282 . 1 1 28 28 LEU HD23 H 1 0.808 0.030 . 1 . . . . 28 LEU HD2 . 10213 1 283 . 1 1 28 28 LEU C C 13 177.159 0.300 . 1 . . . . 28 LEU C . 10213 1 284 . 1 1 29 29 GLU N N 15 115.740 0.300 . 1 . . . . 29 GLU N . 10213 1 285 . 1 1 29 29 GLU H H 1 7.458 0.030 . 1 . . . . 29 GLU H . 10213 1 286 . 1 1 29 29 GLU CA C 13 53.658 0.300 . 1 . . . . 29 GLU CA . 10213 1 287 . 1 1 29 29 GLU HA H 1 4.444 0.030 . 1 . . . . 29 GLU HA . 10213 1 288 . 1 1 29 29 GLU CB C 13 33.209 0.300 . 1 . . . . 29 GLU CB . 10213 1 289 . 1 1 29 29 GLU HB2 H 1 1.691 0.030 . 2 . . . . 29 GLU HB2 . 10213 1 290 . 1 1 29 29 GLU HB3 H 1 1.935 0.030 . 2 . . . . 29 GLU HB3 . 10213 1 291 . 1 1 29 29 GLU CG C 13 35.731 0.300 . 1 . . . . 29 GLU CG . 10213 1 292 . 1 1 29 29 GLU HG2 H 1 2.055 0.030 . 1 . . . . 29 GLU HG2 . 10213 1 293 . 1 1 29 29 GLU HG3 H 1 2.055 0.030 . 1 . . . . 29 GLU HG3 . 10213 1 294 . 1 1 29 29 GLU C C 13 174.417 0.300 . 1 . . . . 29 GLU C . 10213 1 295 . 1 1 30 30 GLU N N 15 122.052 0.300 . 1 . . . . 30 GLU N . 10213 1 296 . 1 1 30 30 GLU H H 1 8.500 0.030 . 1 . . . . 30 GLU H . 10213 1 297 . 1 1 30 30 GLU CA C 13 57.621 0.300 . 1 . . . . 30 GLU CA . 10213 1 298 . 1 1 30 30 GLU HA H 1 4.297 0.030 . 1 . . . . 30 GLU HA . 10213 1 299 . 1 1 30 30 GLU CB C 13 30.403 0.300 . 1 . . . . 30 GLU CB . 10213 1 300 . 1 1 30 30 GLU HB2 H 1 1.903 0.030 . 2 . . . . 30 GLU HB2 . 10213 1 301 . 1 1 30 30 GLU HB3 H 1 1.816 0.030 . 2 . . . . 30 GLU HB3 . 10213 1 302 . 1 1 30 30 GLU CG C 13 36.701 0.300 . 1 . . . . 30 GLU CG . 10213 1 303 . 1 1 30 30 GLU HG2 H 1 2.205 0.030 . 2 . . . . 30 GLU HG2 . 10213 1 304 . 1 1 30 30 GLU HG3 H 1 2.361 0.030 . 2 . . . . 30 GLU HG3 . 10213 1 305 . 1 1 30 30 GLU C C 13 177.087 0.300 . 1 . . . . 30 GLU C . 10213 1 306 . 1 1 31 31 ILE N N 15 120.377 0.300 . 1 . . . . 31 ILE N . 10213 1 307 . 1 1 31 31 ILE H H 1 8.828 0.030 . 1 . . . . 31 ILE H . 10213 1 308 . 1 1 31 31 ILE CA C 13 59.741 0.300 . 1 . . . . 31 ILE CA . 10213 1 309 . 1 1 31 31 ILE HA H 1 4.680 0.030 . 1 . . . . 31 ILE HA . 10213 1 310 . 1 1 31 31 ILE CB C 13 40.845 0.300 . 1 . . . . 31 ILE CB . 10213 1 311 . 1 1 31 31 ILE HB H 1 2.061 0.030 . 1 . . . . 31 ILE HB . 10213 1 312 . 1 1 31 31 ILE CG1 C 13 25.292 0.300 . 1 . . . . 31 ILE CG1 . 10213 1 313 . 1 1 31 31 ILE HG12 H 1 1.045 0.030 . 2 . . . . 31 ILE HG12 . 10213 1 314 . 1 1 31 31 ILE HG13 H 1 1.349 0.030 . 2 . . . . 31 ILE HG13 . 10213 1 315 . 1 1 31 31 ILE CG2 C 13 18.288 0.300 . 1 . . . . 31 ILE CG2 . 10213 1 316 . 1 1 31 31 ILE HG21 H 1 0.951 0.030 . 1 . . . . 31 ILE HG2 . 10213 1 317 . 1 1 31 31 ILE HG22 H 1 0.951 0.030 . 1 . . . . 31 ILE HG2 . 10213 1 318 . 1 1 31 31 ILE HG23 H 1 0.951 0.030 . 1 . . . . 31 ILE HG2 . 10213 1 319 . 1 1 31 31 ILE CD1 C 13 14.135 0.300 . 1 . . . . 31 ILE CD1 . 10213 1 320 . 1 1 31 31 ILE HD11 H 1 0.851 0.030 . 1 . . . . 31 ILE HD1 . 10213 1 321 . 1 1 31 31 ILE HD12 H 1 0.851 0.030 . 1 . . . . 31 ILE HD1 . 10213 1 322 . 1 1 31 31 ILE HD13 H 1 0.851 0.030 . 1 . . . . 31 ILE HD1 . 10213 1 323 . 1 1 31 31 ILE C C 13 175.776 0.300 . 1 . . . . 31 ILE C . 10213 1 324 . 1 1 32 32 GLN N N 15 119.444 0.300 . 1 . . . . 32 GLN N . 10213 1 325 . 1 1 32 32 GLN H H 1 8.668 0.030 . 1 . . . . 32 GLN H . 10213 1 326 . 1 1 32 32 GLN CA C 13 57.277 0.300 . 1 . . . . 32 GLN CA . 10213 1 327 . 1 1 32 32 GLN HA H 1 4.302 0.030 . 1 . . . . 32 GLN HA . 10213 1 328 . 1 1 32 32 GLN CB C 13 30.079 0.300 . 1 . . . . 32 GLN CB . 10213 1 329 . 1 1 32 32 GLN HB2 H 1 2.015 0.030 . 2 . . . . 32 GLN HB2 . 10213 1 330 . 1 1 32 32 GLN HB3 H 1 2.164 0.030 . 2 . . . . 32 GLN HB3 . 10213 1 331 . 1 1 32 32 GLN CG C 13 34.109 0.300 . 1 . . . . 32 GLN CG . 10213 1 332 . 1 1 32 32 GLN HG2 H 1 2.411 0.030 . 1 . . . . 32 GLN HG2 . 10213 1 333 . 1 1 32 32 GLN HG3 H 1 2.411 0.030 . 1 . . . . 32 GLN HG3 . 10213 1 334 . 1 1 32 32 GLN NE2 N 15 112.800 0.300 . 1 . . . . 32 GLN NE2 . 10213 1 335 . 1 1 32 32 GLN HE21 H 1 7.599 0.030 . 2 . . . . 32 GLN HE21 . 10213 1 336 . 1 1 32 32 GLN HE22 H 1 6.804 0.030 . 2 . . . . 32 GLN HE22 . 10213 1 337 . 1 1 32 32 GLN C C 13 175.824 0.300 . 1 . . . . 32 GLN C . 10213 1 338 . 1 1 33 33 ASP N N 15 113.908 0.300 . 1 . . . . 33 ASP N . 10213 1 339 . 1 1 33 33 ASP H H 1 7.684 0.030 . 1 . . . . 33 ASP H . 10213 1 340 . 1 1 33 33 ASP CA C 13 53.441 0.300 . 1 . . . . 33 ASP CA . 10213 1 341 . 1 1 33 33 ASP HA H 1 4.754 0.030 . 1 . . . . 33 ASP HA . 10213 1 342 . 1 1 33 33 ASP CB C 13 43.727 0.300 . 1 . . . . 33 ASP CB . 10213 1 343 . 1 1 33 33 ASP HB2 H 1 2.985 0.030 . 1 . . . . 33 ASP HB2 . 10213 1 344 . 1 1 33 33 ASP HB3 H 1 2.985 0.030 . 1 . . . . 33 ASP HB3 . 10213 1 345 . 1 1 33 33 ASP C C 13 175.824 0.300 . 1 . . . . 33 ASP C . 10213 1 346 . 1 1 34 34 VAL N N 15 114.196 0.300 . 1 . . . . 34 VAL N . 10213 1 347 . 1 1 34 34 VAL H H 1 8.640 0.030 . 1 . . . . 34 VAL H . 10213 1 348 . 1 1 34 34 VAL CA C 13 64.836 0.300 . 1 . . . . 34 VAL CA . 10213 1 349 . 1 1 34 34 VAL HA H 1 3.910 0.030 . 1 . . . . 34 VAL HA . 10213 1 350 . 1 1 34 34 VAL CB C 13 31.539 0.300 . 1 . . . . 34 VAL CB . 10213 1 351 . 1 1 34 34 VAL HB H 1 2.429 0.030 . 1 . . . . 34 VAL HB . 10213 1 352 . 1 1 34 34 VAL CG1 C 13 21.838 0.300 . 2 . . . . 34 VAL CG1 . 10213 1 353 . 1 1 34 34 VAL HG11 H 1 1.018 0.030 . 1 . . . . 34 VAL HG1 . 10213 1 354 . 1 1 34 34 VAL HG12 H 1 1.018 0.030 . 1 . . . . 34 VAL HG1 . 10213 1 355 . 1 1 34 34 VAL HG13 H 1 1.018 0.030 . 1 . . . . 34 VAL HG1 . 10213 1 356 . 1 1 34 34 VAL CG2 C 13 18.776 0.300 . 2 . . . . 34 VAL CG2 . 10213 1 357 . 1 1 34 34 VAL HG21 H 1 1.147 0.030 . 1 . . . . 34 VAL HG2 . 10213 1 358 . 1 1 34 34 VAL HG22 H 1 1.147 0.030 . 1 . . . . 34 VAL HG2 . 10213 1 359 . 1 1 34 34 VAL HG23 H 1 1.147 0.030 . 1 . . . . 34 VAL HG2 . 10213 1 360 . 1 1 34 34 VAL C C 13 177.669 0.300 . 1 . . . . 34 VAL C . 10213 1 361 . 1 1 35 35 SER N N 15 120.001 0.300 . 1 . . . . 35 SER N . 10213 1 362 . 1 1 35 35 SER H H 1 9.274 0.030 . 1 . . . . 35 SER H . 10213 1 363 . 1 1 35 35 SER CA C 13 62.276 0.300 . 1 . . . . 35 SER CA . 10213 1 364 . 1 1 35 35 SER HA H 1 4.448 0.030 . 1 . . . . 35 SER HA . 10213 1 365 . 1 1 35 35 SER CB C 13 62.255 0.300 . 1 . . . . 35 SER CB . 10213 1 366 . 1 1 35 35 SER HB2 H 1 4.067 0.030 . 2 . . . . 35 SER HB2 . 10213 1 367 . 1 1 35 35 SER HB3 H 1 4.122 0.030 . 2 . . . . 35 SER HB3 . 10213 1 368 . 1 1 35 35 SER C C 13 177.305 0.300 . 1 . . . . 35 SER C . 10213 1 369 . 1 1 36 36 CYS N N 15 120.840 0.300 . 1 . . . . 36 CYS N . 10213 1 370 . 1 1 36 36 CYS H H 1 7.894 0.030 . 1 . . . . 36 CYS H . 10213 1 371 . 1 1 36 36 CYS CA C 13 62.416 0.300 . 1 . . . . 36 CYS CA . 10213 1 372 . 1 1 36 36 CYS HA H 1 4.310 0.030 . 1 . . . . 36 CYS HA . 10213 1 373 . 1 1 36 36 CYS CB C 13 28.189 0.300 . 1 . . . . 36 CYS CB . 10213 1 374 . 1 1 36 36 CYS HB2 H 1 3.479 0.030 . 2 . . . . 36 CYS HB2 . 10213 1 375 . 1 1 36 36 CYS HB3 H 1 3.224 0.030 . 2 . . . . 36 CYS HB3 . 10213 1 376 . 1 1 36 36 CYS C C 13 177.257 0.300 . 1 . . . . 36 CYS C . 10213 1 377 . 1 1 37 37 ALA N N 15 122.247 0.300 . 1 . . . . 37 ALA N . 10213 1 378 . 1 1 37 37 ALA H H 1 7.343 0.030 . 1 . . . . 37 ALA H . 10213 1 379 . 1 1 37 37 ALA CA C 13 54.145 0.300 . 1 . . . . 37 ALA CA . 10213 1 380 . 1 1 37 37 ALA HA H 1 3.546 0.030 . 1 . . . . 37 ALA HA . 10213 1 381 . 1 1 37 37 ALA CB C 13 20.009 0.300 . 1 . . . . 37 ALA CB . 10213 1 382 . 1 1 37 37 ALA HB1 H 1 1.218 0.030 . 1 . . . . 37 ALA HB . 10213 1 383 . 1 1 37 37 ALA HB2 H 1 1.218 0.030 . 1 . . . . 37 ALA HB . 10213 1 384 . 1 1 37 37 ALA HB3 H 1 1.218 0.030 . 1 . . . . 37 ALA HB . 10213 1 385 . 1 1 37 37 ALA C C 13 178.883 0.300 . 1 . . . . 37 ALA C . 10213 1 386 . 1 1 38 38 TRP N N 15 117.352 0.300 . 1 . . . . 38 TRP N . 10213 1 387 . 1 1 38 38 TRP H H 1 7.937 0.030 . 1 . . . . 38 TRP H . 10213 1 388 . 1 1 38 38 TRP CA C 13 60.600 0.300 . 1 . . . . 38 TRP CA . 10213 1 389 . 1 1 38 38 TRP HA H 1 4.276 0.030 . 1 . . . . 38 TRP HA . 10213 1 390 . 1 1 38 38 TRP CB C 13 29.693 0.300 . 1 . . . . 38 TRP CB . 10213 1 391 . 1 1 38 38 TRP HB2 H 1 3.116 0.030 . 2 . . . . 38 TRP HB2 . 10213 1 392 . 1 1 38 38 TRP HB3 H 1 3.227 0.030 . 2 . . . . 38 TRP HB3 . 10213 1 393 . 1 1 38 38 TRP CD1 C 13 127.475 0.300 . 1 . . . . 38 TRP CD1 . 10213 1 394 . 1 1 38 38 TRP HD1 H 1 6.942 0.030 . 1 . . . . 38 TRP HD1 . 10213 1 395 . 1 1 38 38 TRP NE1 N 15 129.538 0.300 . 1 . . . . 38 TRP NE1 . 10213 1 396 . 1 1 38 38 TRP HE1 H 1 10.224 0.030 . 1 . . . . 38 TRP HE1 . 10213 1 397 . 1 1 38 38 TRP CE3 C 13 119.927 0.300 . 1 . . . . 38 TRP CE3 . 10213 1 398 . 1 1 38 38 TRP HE3 H 1 7.232 0.030 . 1 . . . . 38 TRP HE3 . 10213 1 399 . 1 1 38 38 TRP CZ2 C 13 114.665 0.300 . 1 . . . . 38 TRP CZ2 . 10213 1 400 . 1 1 38 38 TRP HZ2 H 1 7.397 0.030 . 1 . . . . 38 TRP HZ2 . 10213 1 401 . 1 1 38 38 TRP CZ3 C 13 121.572 0.300 . 1 . . . . 38 TRP CZ3 . 10213 1 402 . 1 1 38 38 TRP HZ3 H 1 6.878 0.030 . 1 . . . . 38 TRP HZ3 . 10213 1 403 . 1 1 38 38 TRP CH2 C 13 125.116 0.300 . 1 . . . . 38 TRP CH2 . 10213 1 404 . 1 1 38 38 TRP HH2 H 1 7.043 0.030 . 1 . . . . 38 TRP HH2 . 10213 1 405 . 1 1 38 38 TRP C C 13 178.664 0.300 . 1 . . . . 38 TRP C . 10213 1 406 . 1 1 39 39 LYS N N 15 117.638 0.300 . 1 . . . . 39 LYS N . 10213 1 407 . 1 1 39 39 LYS H H 1 8.102 0.030 . 1 . . . . 39 LYS H . 10213 1 408 . 1 1 39 39 LYS CA C 13 60.009 0.300 . 1 . . . . 39 LYS CA . 10213 1 409 . 1 1 39 39 LYS HA H 1 4.031 0.030 . 1 . . . . 39 LYS HA . 10213 1 410 . 1 1 39 39 LYS CB C 13 32.471 0.300 . 1 . . . . 39 LYS CB . 10213 1 411 . 1 1 39 39 LYS HB2 H 1 1.939 0.030 . 1 . . . . 39 LYS HB2 . 10213 1 412 . 1 1 39 39 LYS HB3 H 1 1.939 0.030 . 1 . . . . 39 LYS HB3 . 10213 1 413 . 1 1 39 39 LYS CG C 13 25.465 0.300 . 1 . . . . 39 LYS CG . 10213 1 414 . 1 1 39 39 LYS HG2 H 1 1.470 0.030 . 2 . . . . 39 LYS HG2 . 10213 1 415 . 1 1 39 39 LYS HG3 H 1 1.654 0.030 . 2 . . . . 39 LYS HG3 . 10213 1 416 . 1 1 39 39 LYS CD C 13 29.498 0.300 . 1 . . . . 39 LYS CD . 10213 1 417 . 1 1 39 39 LYS HD2 H 1 1.739 0.030 . 2 . . . . 39 LYS HD2 . 10213 1 418 . 1 1 39 39 LYS HD3 H 1 1.773 0.030 . 2 . . . . 39 LYS HD3 . 10213 1 419 . 1 1 39 39 LYS CE C 13 42.161 0.300 . 1 . . . . 39 LYS CE . 10213 1 420 . 1 1 39 39 LYS HE2 H 1 3.000 0.030 . 2 . . . . 39 LYS HE2 . 10213 1 421 . 1 1 39 39 LYS C C 13 178.713 0.300 . 1 . . . . 39 LYS C . 10213 1 422 . 1 1 40 40 GLU N N 15 120.486 0.300 . 1 . . . . 40 GLU N . 10213 1 423 . 1 1 40 40 GLU H H 1 6.821 0.030 . 1 . . . . 40 GLU H . 10213 1 424 . 1 1 40 40 GLU CA C 13 58.486 0.300 . 1 . . . . 40 GLU CA . 10213 1 425 . 1 1 40 40 GLU HA H 1 4.350 0.030 . 1 . . . . 40 GLU HA . 10213 1 426 . 1 1 40 40 GLU CB C 13 28.459 0.300 . 1 . . . . 40 GLU CB . 10213 1 427 . 1 1 40 40 GLU HB2 H 1 1.481 0.030 . 2 . . . . 40 GLU HB2 . 10213 1 428 . 1 1 40 40 GLU HB3 H 1 1.014 0.030 . 2 . . . . 40 GLU HB3 . 10213 1 429 . 1 1 40 40 GLU CG C 13 32.966 0.300 . 1 . . . . 40 GLU CG . 10213 1 430 . 1 1 40 40 GLU HG2 H 1 1.281 0.030 . 2 . . . . 40 GLU HG2 . 10213 1 431 . 1 1 40 40 GLU HG3 H 1 1.923 0.030 . 2 . . . . 40 GLU HG3 . 10213 1 432 . 1 1 40 40 GLU C C 13 178.543 0.300 . 1 . . . . 40 GLU C . 10213 1 433 . 1 1 41 41 LEU N N 15 119.356 0.300 . 1 . . . . 41 LEU N . 10213 1 434 . 1 1 41 41 LEU H H 1 8.291 0.030 . 1 . . . . 41 LEU H . 10213 1 435 . 1 1 41 41 LEU CA C 13 59.002 0.300 . 1 . . . . 41 LEU CA . 10213 1 436 . 1 1 41 41 LEU HA H 1 3.947 0.030 . 1 . . . . 41 LEU HA . 10213 1 437 . 1 1 41 41 LEU CB C 13 41.914 0.300 . 1 . . . . 41 LEU CB . 10213 1 438 . 1 1 41 41 LEU HB2 H 1 1.065 0.030 . 2 . . . . 41 LEU HB2 . 10213 1 439 . 1 1 41 41 LEU HB3 H 1 1.777 0.030 . 2 . . . . 41 LEU HB3 . 10213 1 440 . 1 1 41 41 LEU CG C 13 26.699 0.300 . 1 . . . . 41 LEU CG . 10213 1 441 . 1 1 41 41 LEU HG H 1 1.175 0.030 . 1 . . . . 41 LEU HG . 10213 1 442 . 1 1 41 41 LEU CD1 C 13 26.194 0.300 . 2 . . . . 41 LEU CD1 . 10213 1 443 . 1 1 41 41 LEU HD11 H 1 -0.156 0.030 . 1 . . . . 41 LEU HD1 . 10213 1 444 . 1 1 41 41 LEU HD12 H 1 -0.156 0.030 . 1 . . . . 41 LEU HD1 . 10213 1 445 . 1 1 41 41 LEU HD13 H 1 -0.156 0.030 . 1 . . . . 41 LEU HD1 . 10213 1 446 . 1 1 41 41 LEU CD2 C 13 23.389 0.300 . 2 . . . . 41 LEU CD2 . 10213 1 447 . 1 1 41 41 LEU HD21 H 1 0.389 0.030 . 1 . . . . 41 LEU HD2 . 10213 1 448 . 1 1 41 41 LEU HD22 H 1 0.389 0.030 . 1 . . . . 41 LEU HD2 . 10213 1 449 . 1 1 41 41 LEU HD23 H 1 0.389 0.030 . 1 . . . . 41 LEU HD2 . 10213 1 450 . 1 1 41 41 LEU C C 13 178.106 0.300 . 1 . . . . 41 LEU C . 10213 1 451 . 1 1 42 42 ASN N N 15 113.310 0.300 . 1 . . . . 42 ASN N . 10213 1 452 . 1 1 42 42 ASN H H 1 8.350 0.030 . 1 . . . . 42 ASN H . 10213 1 453 . 1 1 42 42 ASN CA C 13 55.623 0.300 . 1 . . . . 42 ASN CA . 10213 1 454 . 1 1 42 42 ASN HA H 1 4.420 0.030 . 1 . . . . 42 ASN HA . 10213 1 455 . 1 1 42 42 ASN CB C 13 39.318 0.300 . 1 . . . . 42 ASN CB . 10213 1 456 . 1 1 42 42 ASN HB2 H 1 2.624 0.030 . 2 . . . . 42 ASN HB2 . 10213 1 457 . 1 1 42 42 ASN HB3 H 1 2.751 0.030 . 2 . . . . 42 ASN HB3 . 10213 1 458 . 1 1 42 42 ASN ND2 N 15 111.789 0.300 . 1 . . . . 42 ASN ND2 . 10213 1 459 . 1 1 42 42 ASN HD21 H 1 7.212 0.030 . 2 . . . . 42 ASN HD21 . 10213 1 460 . 1 1 42 42 ASN HD22 H 1 6.658 0.030 . 2 . . . . 42 ASN HD22 . 10213 1 461 . 1 1 42 42 ASN C C 13 176.820 0.300 . 1 . . . . 42 ASN C . 10213 1 462 . 1 1 43 43 ARG N N 15 117.734 0.300 . 1 . . . . 43 ARG N . 10213 1 463 . 1 1 43 43 ARG H H 1 7.578 0.030 . 1 . . . . 43 ARG H . 10213 1 464 . 1 1 43 43 ARG CA C 13 58.301 0.300 . 1 . . . . 43 ARG CA . 10213 1 465 . 1 1 43 43 ARG HA H 1 4.227 0.030 . 1 . . . . 43 ARG HA . 10213 1 466 . 1 1 43 43 ARG CB C 13 31.361 0.300 . 1 . . . . 43 ARG CB . 10213 1 467 . 1 1 43 43 ARG HB2 H 1 1.898 0.030 . 2 . . . . 43 ARG HB2 . 10213 1 468 . 1 1 43 43 ARG HB3 H 1 1.969 0.030 . 2 . . . . 43 ARG HB3 . 10213 1 469 . 1 1 43 43 ARG CG C 13 28.135 0.300 . 1 . . . . 43 ARG CG . 10213 1 470 . 1 1 43 43 ARG HG2 H 1 1.636 0.030 . 2 . . . . 43 ARG HG2 . 10213 1 471 . 1 1 43 43 ARG HG3 H 1 1.741 0.030 . 2 . . . . 43 ARG HG3 . 10213 1 472 . 1 1 43 43 ARG CD C 13 43.700 0.300 . 1 . . . . 43 ARG CD . 10213 1 473 . 1 1 43 43 ARG HD2 H 1 3.136 0.030 . 2 . . . . 43 ARG HD2 . 10213 1 474 . 1 1 43 43 ARG HD3 H 1 3.276 0.030 . 2 . . . . 43 ARG HD3 . 10213 1 475 . 1 1 43 43 ARG C C 13 178.106 0.300 . 1 . . . . 43 ARG C . 10213 1 476 . 1 1 44 44 LYS N N 15 115.502 0.300 . 1 . . . . 44 LYS N . 10213 1 477 . 1 1 44 44 LYS H H 1 7.365 0.030 . 1 . . . . 44 LYS H . 10213 1 478 . 1 1 44 44 LYS CA C 13 55.367 0.300 . 1 . . . . 44 LYS CA . 10213 1 479 . 1 1 44 44 LYS HA H 1 4.280 0.030 . 1 . . . . 44 LYS HA . 10213 1 480 . 1 1 44 44 LYS CB C 13 34.289 0.300 . 1 . . . . 44 LYS CB . 10213 1 481 . 1 1 44 44 LYS HB2 H 1 1.360 0.030 . 2 . . . . 44 LYS HB2 . 10213 1 482 . 1 1 44 44 LYS HB3 H 1 1.662 0.030 . 2 . . . . 44 LYS HB3 . 10213 1 483 . 1 1 44 44 LYS CG C 13 23.603 0.300 . 1 . . . . 44 LYS CG . 10213 1 484 . 1 1 44 44 LYS HG2 H 1 1.103 0.030 . 2 . . . . 44 LYS HG2 . 10213 1 485 . 1 1 44 44 LYS HG3 H 1 0.741 0.030 . 2 . . . . 44 LYS HG3 . 10213 1 486 . 1 1 44 44 LYS CD C 13 26.912 0.300 . 1 . . . . 44 LYS CD . 10213 1 487 . 1 1 44 44 LYS HD2 H 1 1.159 0.030 . 2 . . . . 44 LYS HD2 . 10213 1 488 . 1 1 44 44 LYS CE C 13 42.229 0.300 . 1 . . . . 44 LYS CE . 10213 1 489 . 1 1 44 44 LYS HE2 H 1 2.490 0.030 . 2 . . . . 44 LYS HE2 . 10213 1 490 . 1 1 44 44 LYS HE3 H 1 2.663 0.030 . 2 . . . . 44 LYS HE3 . 10213 1 491 . 1 1 44 44 LYS C C 13 176.504 0.300 . 1 . . . . 44 LYS C . 10213 1 492 . 1 1 45 45 LEU N N 15 118.486 0.300 . 1 . . . . 45 LEU N . 10213 1 493 . 1 1 45 45 LEU H H 1 7.977 0.030 . 1 . . . . 45 LEU H . 10213 1 494 . 1 1 45 45 LEU CA C 13 53.335 0.300 . 1 . . . . 45 LEU CA . 10213 1 495 . 1 1 45 45 LEU HA H 1 4.882 0.030 . 1 . . . . 45 LEU HA . 10213 1 496 . 1 1 45 45 LEU CB C 13 45.307 0.300 . 1 . . . . 45 LEU CB . 10213 1 497 . 1 1 45 45 LEU HB2 H 1 2.031 0.030 . 2 . . . . 45 LEU HB2 . 10213 1 498 . 1 1 45 45 LEU HB3 H 1 1.556 0.030 . 2 . . . . 45 LEU HB3 . 10213 1 499 . 1 1 45 45 LEU CG C 13 27.279 0.300 . 1 . . . . 45 LEU CG . 10213 1 500 . 1 1 45 45 LEU HG H 1 1.986 0.030 . 1 . . . . 45 LEU HG . 10213 1 501 . 1 1 45 45 LEU CD1 C 13 27.181 0.300 . 2 . . . . 45 LEU CD1 . 10213 1 502 . 1 1 45 45 LEU HD11 H 1 0.850 0.030 . 1 . . . . 45 LEU HD1 . 10213 1 503 . 1 1 45 45 LEU HD12 H 1 0.850 0.030 . 1 . . . . 45 LEU HD1 . 10213 1 504 . 1 1 45 45 LEU HD13 H 1 0.850 0.030 . 1 . . . . 45 LEU HD1 . 10213 1 505 . 1 1 45 45 LEU CD2 C 13 23.783 0.300 . 2 . . . . 45 LEU CD2 . 10213 1 506 . 1 1 45 45 LEU HD21 H 1 1.145 0.030 . 1 . . . . 45 LEU HD2 . 10213 1 507 . 1 1 45 45 LEU HD22 H 1 1.145 0.030 . 1 . . . . 45 LEU HD2 . 10213 1 508 . 1 1 45 45 LEU HD23 H 1 1.145 0.030 . 1 . . . . 45 LEU HD2 . 10213 1 509 . 1 1 45 45 LEU C C 13 176.771 0.300 . 1 . . . . 45 LEU C . 10213 1 510 . 1 1 46 46 SER N N 15 116.809 0.300 . 1 . . . . 46 SER N . 10213 1 511 . 1 1 46 46 SER H H 1 9.074 0.030 . 1 . . . . 46 SER H . 10213 1 512 . 1 1 46 46 SER CA C 13 57.981 0.300 . 1 . . . . 46 SER CA . 10213 1 513 . 1 1 46 46 SER HA H 1 4.407 0.030 . 1 . . . . 46 SER HA . 10213 1 514 . 1 1 46 46 SER CB C 13 64.496 0.300 . 1 . . . . 46 SER CB . 10213 1 515 . 1 1 46 46 SER HB2 H 1 4.279 0.030 . 2 . . . . 46 SER HB2 . 10213 1 516 . 1 1 46 46 SER HB3 H 1 4.136 0.030 . 2 . . . . 46 SER HB3 . 10213 1 517 . 1 1 46 46 SER C C 13 175.387 0.300 . 1 . . . . 46 SER C . 10213 1 518 . 1 1 47 47 SER N N 15 117.511 0.300 . 1 . . . . 47 SER N . 10213 1 519 . 1 1 47 47 SER H H 1 8.955 0.030 . 1 . . . . 47 SER H . 10213 1 520 . 1 1 47 47 SER CA C 13 61.523 0.300 . 1 . . . . 47 SER CA . 10213 1 521 . 1 1 47 47 SER HA H 1 4.197 0.030 . 1 . . . . 47 SER HA . 10213 1 522 . 1 1 47 47 SER CB C 13 62.412 0.300 . 1 . . . . 47 SER CB . 10213 1 523 . 1 1 47 47 SER HB2 H 1 3.943 0.030 . 1 . . . . 47 SER HB2 . 10213 1 524 . 1 1 47 47 SER HB3 H 1 3.943 0.030 . 1 . . . . 47 SER HB3 . 10213 1 525 . 1 1 48 48 ASN H H 1 8.475 0.030 . 1 . . . . 48 ASN H . 10213 1 526 . 1 1 48 48 ASN CA C 13 56.327 0.300 . 1 . . . . 48 ASN CA . 10213 1 527 . 1 1 48 48 ASN HA H 1 4.421 0.030 . 1 . . . . 48 ASN HA . 10213 1 528 . 1 1 48 48 ASN CB C 13 38.635 0.300 . 1 . . . . 48 ASN CB . 10213 1 529 . 1 1 48 48 ASN HB2 H 1 2.814 0.030 . 2 . . . . 48 ASN HB2 . 10213 1 530 . 1 1 48 48 ASN HB3 H 1 2.710 0.030 . 2 . . . . 48 ASN HB3 . 10213 1 531 . 1 1 48 48 ASN ND2 N 15 113.469 0.300 . 1 . . . . 48 ASN ND2 . 10213 1 532 . 1 1 48 48 ASN HD21 H 1 7.733 0.030 . 2 . . . . 48 ASN HD21 . 10213 1 533 . 1 1 48 48 ASN HD22 H 1 7.022 0.030 . 2 . . . . 48 ASN HD22 . 10213 1 534 . 1 1 48 48 ASN C C 13 177.232 0.300 . 1 . . . . 48 ASN C . 10213 1 535 . 1 1 49 49 ALA N N 15 123.504 0.300 . 1 . . . . 49 ALA N . 10213 1 536 . 1 1 49 49 ALA H H 1 7.837 0.030 . 1 . . . . 49 ALA H . 10213 1 537 . 1 1 49 49 ALA CA C 13 55.271 0.300 . 1 . . . . 49 ALA CA . 10213 1 538 . 1 1 49 49 ALA HA H 1 4.171 0.030 . 1 . . . . 49 ALA HA . 10213 1 539 . 1 1 49 49 ALA CB C 13 19.301 0.300 . 1 . . . . 49 ALA CB . 10213 1 540 . 1 1 49 49 ALA HB1 H 1 1.528 0.030 . 1 . . . . 49 ALA HB . 10213 1 541 . 1 1 49 49 ALA HB2 H 1 1.528 0.030 . 1 . . . . 49 ALA HB . 10213 1 542 . 1 1 49 49 ALA HB3 H 1 1.528 0.030 . 1 . . . . 49 ALA HB . 10213 1 543 . 1 1 49 49 ALA C C 13 179.830 0.300 . 1 . . . . 49 ALA C . 10213 1 544 . 1 1 50 50 VAL N N 15 115.694 0.300 . 1 . . . . 50 VAL N . 10213 1 545 . 1 1 50 50 VAL H H 1 8.069 0.030 . 1 . . . . 50 VAL H . 10213 1 546 . 1 1 50 50 VAL CA C 13 65.728 0.300 . 1 . . . . 50 VAL CA . 10213 1 547 . 1 1 50 50 VAL HA H 1 3.645 0.030 . 1 . . . . 50 VAL HA . 10213 1 548 . 1 1 50 50 VAL CB C 13 31.836 0.300 . 1 . . . . 50 VAL CB . 10213 1 549 . 1 1 50 50 VAL HB H 1 2.098 0.030 . 1 . . . . 50 VAL HB . 10213 1 550 . 1 1 50 50 VAL CG1 C 13 21.834 0.300 . 2 . . . . 50 VAL CG1 . 10213 1 551 . 1 1 50 50 VAL HG11 H 1 1.037 0.030 . 1 . . . . 50 VAL HG1 . 10213 1 552 . 1 1 50 50 VAL HG12 H 1 1.037 0.030 . 1 . . . . 50 VAL HG1 . 10213 1 553 . 1 1 50 50 VAL HG13 H 1 1.037 0.030 . 1 . . . . 50 VAL HG1 . 10213 1 554 . 1 1 50 50 VAL CG2 C 13 23.716 0.300 . 2 . . . . 50 VAL CG2 . 10213 1 555 . 1 1 50 50 VAL HG21 H 1 0.963 0.030 . 1 . . . . 50 VAL HG2 . 10213 1 556 . 1 1 50 50 VAL HG22 H 1 0.963 0.030 . 1 . . . . 50 VAL HG2 . 10213 1 557 . 1 1 50 50 VAL HG23 H 1 0.963 0.030 . 1 . . . . 50 VAL HG2 . 10213 1 558 . 1 1 50 50 VAL C C 13 178.567 0.300 . 1 . . . . 50 VAL C . 10213 1 559 . 1 1 51 51 SER N N 15 114.048 0.300 . 1 . . . . 51 SER N . 10213 1 560 . 1 1 51 51 SER H H 1 7.849 0.030 . 1 . . . . 51 SER H . 10213 1 561 . 1 1 51 51 SER CA C 13 60.756 0.300 . 1 . . . . 51 SER CA . 10213 1 562 . 1 1 51 51 SER HA H 1 4.334 0.030 . 1 . . . . 51 SER HA . 10213 1 563 . 1 1 51 51 SER CB C 13 63.383 0.300 . 1 . . . . 51 SER CB . 10213 1 564 . 1 1 51 51 SER HB2 H 1 4.043 0.030 . 2 . . . . 51 SER HB2 . 10213 1 565 . 1 1 51 51 SER C C 13 174.635 0.300 . 1 . . . . 51 SER C . 10213 1 566 . 1 1 52 52 GLN N N 15 118.482 0.300 . 1 . . . . 52 GLN N . 10213 1 567 . 1 1 52 52 GLN H H 1 7.564 0.030 . 1 . . . . 52 GLN H . 10213 1 568 . 1 1 52 52 GLN CA C 13 55.306 0.300 . 1 . . . . 52 GLN CA . 10213 1 569 . 1 1 52 52 GLN HA H 1 4.389 0.030 . 1 . . . . 52 GLN HA . 10213 1 570 . 1 1 52 52 GLN CB C 13 29.217 0.300 . 1 . . . . 52 GLN CB . 10213 1 571 . 1 1 52 52 GLN HB2 H 1 2.029 0.030 . 2 . . . . 52 GLN HB2 . 10213 1 572 . 1 1 52 52 GLN HB3 H 1 2.372 0.030 . 2 . . . . 52 GLN HB3 . 10213 1 573 . 1 1 52 52 GLN CG C 13 33.568 0.300 . 1 . . . . 52 GLN CG . 10213 1 574 . 1 1 52 52 GLN HG2 H 1 2.397 0.030 . 2 . . . . 52 GLN HG2 . 10213 1 575 . 1 1 52 52 GLN HG3 H 1 2.539 0.030 . 2 . . . . 52 GLN HG3 . 10213 1 576 . 1 1 52 52 GLN NE2 N 15 111.770 0.300 . 1 . . . . 52 GLN NE2 . 10213 1 577 . 1 1 52 52 GLN HE21 H 1 7.102 0.030 . 2 . . . . 52 GLN HE21 . 10213 1 578 . 1 1 52 52 GLN HE22 H 1 6.661 0.030 . 2 . . . . 52 GLN HE22 . 10213 1 579 . 1 1 52 52 GLN C C 13 175.315 0.300 . 1 . . . . 52 GLN C . 10213 1 580 . 1 1 53 53 ILE N N 15 119.847 0.300 . 1 . . . . 53 ILE N . 10213 1 581 . 1 1 53 53 ILE H H 1 7.281 0.030 . 1 . . . . 53 ILE H . 10213 1 582 . 1 1 53 53 ILE CA C 13 62.903 0.300 . 1 . . . . 53 ILE CA . 10213 1 583 . 1 1 53 53 ILE HA H 1 4.417 0.030 . 1 . . . . 53 ILE HA . 10213 1 584 . 1 1 53 53 ILE CB C 13 38.124 0.300 . 1 . . . . 53 ILE CB . 10213 1 585 . 1 1 53 53 ILE HB H 1 2.019 0.030 . 1 . . . . 53 ILE HB . 10213 1 586 . 1 1 53 53 ILE CG1 C 13 27.708 0.300 . 1 . . . . 53 ILE CG1 . 10213 1 587 . 1 1 53 53 ILE HG12 H 1 0.727 0.030 . 2 . . . . 53 ILE HG12 . 10213 1 588 . 1 1 53 53 ILE HG13 H 1 1.805 0.030 . 2 . . . . 53 ILE HG13 . 10213 1 589 . 1 1 53 53 ILE CG2 C 13 17.788 0.300 . 1 . . . . 53 ILE CG2 . 10213 1 590 . 1 1 53 53 ILE HG21 H 1 0.385 0.030 . 1 . . . . 53 ILE HG2 . 10213 1 591 . 1 1 53 53 ILE HG22 H 1 0.385 0.030 . 1 . . . . 53 ILE HG2 . 10213 1 592 . 1 1 53 53 ILE HG23 H 1 0.385 0.030 . 1 . . . . 53 ILE HG2 . 10213 1 593 . 1 1 53 53 ILE CD1 C 13 14.658 0.300 . 1 . . . . 53 ILE CD1 . 10213 1 594 . 1 1 53 53 ILE HD11 H 1 0.275 0.030 . 1 . . . . 53 ILE HD1 . 10213 1 595 . 1 1 53 53 ILE HD12 H 1 0.275 0.030 . 1 . . . . 53 ILE HD1 . 10213 1 596 . 1 1 53 53 ILE HD13 H 1 0.275 0.030 . 1 . . . . 53 ILE HD1 . 10213 1 597 . 1 1 53 53 ILE C C 13 176.383 0.300 . 1 . . . . 53 ILE C . 10213 1 598 . 1 1 54 54 THR N N 15 120.582 0.300 . 1 . . . . 54 THR N . 10213 1 599 . 1 1 54 54 THR H H 1 9.046 0.030 . 1 . . . . 54 THR H . 10213 1 600 . 1 1 54 54 THR CA C 13 59.846 0.300 . 1 . . . . 54 THR CA . 10213 1 601 . 1 1 54 54 THR HA H 1 4.834 0.030 . 1 . . . . 54 THR HA . 10213 1 602 . 1 1 54 54 THR CB C 13 71.904 0.300 . 1 . . . . 54 THR CB . 10213 1 603 . 1 1 54 54 THR HB H 1 4.124 0.030 . 1 . . . . 54 THR HB . 10213 1 604 . 1 1 54 54 THR CG2 C 13 20.951 0.300 . 1 . . . . 54 THR CG2 . 10213 1 605 . 1 1 54 54 THR HG21 H 1 1.078 0.030 . 1 . . . . 54 THR HG2 . 10213 1 606 . 1 1 54 54 THR HG22 H 1 1.078 0.030 . 1 . . . . 54 THR HG2 . 10213 1 607 . 1 1 54 54 THR HG23 H 1 1.078 0.030 . 1 . . . . 54 THR HG2 . 10213 1 608 . 1 1 54 54 THR C C 13 172.135 0.300 . 1 . . . . 54 THR C . 10213 1 609 . 1 1 55 55 ARG N N 15 118.375 0.300 . 1 . . . . 55 ARG N . 10213 1 610 . 1 1 55 55 ARG H H 1 8.511 0.030 . 1 . . . . 55 ARG H . 10213 1 611 . 1 1 55 55 ARG CA C 13 57.312 0.300 . 1 . . . . 55 ARG CA . 10213 1 612 . 1 1 55 55 ARG HA H 1 3.782 0.030 . 1 . . . . 55 ARG HA . 10213 1 613 . 1 1 55 55 ARG CB C 13 28.704 0.300 . 1 . . . . 55 ARG CB . 10213 1 614 . 1 1 55 55 ARG HB2 H 1 1.602 0.030 . 2 . . . . 55 ARG HB2 . 10213 1 615 . 1 1 55 55 ARG HB3 H 1 1.517 0.030 . 2 . . . . 55 ARG HB3 . 10213 1 616 . 1 1 55 55 ARG CG C 13 28.762 0.300 . 1 . . . . 55 ARG CG . 10213 1 617 . 1 1 55 55 ARG HG2 H 1 1.478 0.030 . 2 . . . . 55 ARG HG2 . 10213 1 618 . 1 1 55 55 ARG HG3 H 1 1.904 0.030 . 2 . . . . 55 ARG HG3 . 10213 1 619 . 1 1 55 55 ARG CD C 13 43.474 0.300 . 1 . . . . 55 ARG CD . 10213 1 620 . 1 1 55 55 ARG HD2 H 1 3.031 0.030 . 2 . . . . 55 ARG HD2 . 10213 1 621 . 1 1 55 55 ARG HD3 H 1 3.081 0.030 . 2 . . . . 55 ARG HD3 . 10213 1 622 . 1 1 55 55 ARG C C 13 174.684 0.300 . 1 . . . . 55 ARG C . 10213 1 623 . 1 1 56 56 MET N N 15 118.525 0.300 . 1 . . . . 56 MET N . 10213 1 624 . 1 1 56 56 MET H H 1 8.279 0.030 . 1 . . . . 56 MET H . 10213 1 625 . 1 1 56 56 MET CA C 13 55.799 0.300 . 1 . . . . 56 MET CA . 10213 1 626 . 1 1 56 56 MET HA H 1 5.188 0.030 . 1 . . . . 56 MET HA . 10213 1 627 . 1 1 56 56 MET CB C 13 33.062 0.300 . 1 . . . . 56 MET CB . 10213 1 628 . 1 1 56 56 MET HB2 H 1 1.645 0.030 . 2 . . . . 56 MET HB2 . 10213 1 629 . 1 1 56 56 MET HB3 H 1 2.026 0.030 . 2 . . . . 56 MET HB3 . 10213 1 630 . 1 1 56 56 MET CG C 13 31.473 0.300 . 1 . . . . 56 MET CG . 10213 1 631 . 1 1 56 56 MET HG2 H 1 2.060 0.030 . 2 . . . . 56 MET HG2 . 10213 1 632 . 1 1 56 56 MET HG3 H 1 2.158 0.030 . 2 . . . . 56 MET HG3 . 10213 1 633 . 1 1 56 56 MET CE C 13 15.162 0.300 . 1 . . . . 56 MET CE . 10213 1 634 . 1 1 56 56 MET HE1 H 1 0.284 0.030 . 1 . . . . 56 MET HE . 10213 1 635 . 1 1 56 56 MET HE2 H 1 0.284 0.030 . 1 . . . . 56 MET HE . 10213 1 636 . 1 1 56 56 MET HE3 H 1 0.284 0.030 . 1 . . . . 56 MET HE . 10213 1 637 . 1 1 56 56 MET C C 13 177.572 0.300 . 1 . . . . 56 MET C . 10213 1 638 . 1 1 57 57 CYS N N 15 126.541 0.300 . 1 . . . . 57 CYS N . 10213 1 639 . 1 1 57 57 CYS H H 1 9.340 0.030 . 1 . . . . 57 CYS H . 10213 1 640 . 1 1 57 57 CYS CA C 13 57.171 0.300 . 1 . . . . 57 CYS CA . 10213 1 641 . 1 1 57 57 CYS HA H 1 4.794 0.030 . 1 . . . . 57 CYS HA . 10213 1 642 . 1 1 57 57 CYS CB C 13 31.161 0.300 . 1 . . . . 57 CYS CB . 10213 1 643 . 1 1 57 57 CYS HB2 H 1 2.898 0.030 . 1 . . . . 57 CYS HB2 . 10213 1 644 . 1 1 57 57 CYS HB3 H 1 2.898 0.030 . 1 . . . . 57 CYS HB3 . 10213 1 645 . 1 1 57 57 CYS C C 13 173.057 0.300 . 1 . . . . 57 CYS C . 10213 1 646 . 1 1 58 58 LEU N N 15 123.786 0.300 . 1 . . . . 58 LEU N . 10213 1 647 . 1 1 58 58 LEU H H 1 8.682 0.030 . 1 . . . . 58 LEU H . 10213 1 648 . 1 1 58 58 LEU CA C 13 55.975 0.300 . 1 . . . . 58 LEU CA . 10213 1 649 . 1 1 58 58 LEU HA H 1 4.520 0.030 . 1 . . . . 58 LEU HA . 10213 1 650 . 1 1 58 58 LEU CB C 13 43.097 0.300 . 1 . . . . 58 LEU CB . 10213 1 651 . 1 1 58 58 LEU HB2 H 1 1.598 0.030 . 2 . . . . 58 LEU HB2 . 10213 1 652 . 1 1 58 58 LEU HB3 H 1 1.720 0.030 . 2 . . . . 58 LEU HB3 . 10213 1 653 . 1 1 58 58 LEU CG C 13 27.189 0.300 . 1 . . . . 58 LEU CG . 10213 1 654 . 1 1 58 58 LEU HG H 1 1.715 0.030 . 1 . . . . 58 LEU HG . 10213 1 655 . 1 1 58 58 LEU CD1 C 13 25.060 0.300 . 2 . . . . 58 LEU CD1 . 10213 1 656 . 1 1 58 58 LEU HD11 H 1 0.934 0.030 . 1 . . . . 58 LEU HD1 . 10213 1 657 . 1 1 58 58 LEU HD12 H 1 0.934 0.030 . 1 . . . . 58 LEU HD1 . 10213 1 658 . 1 1 58 58 LEU HD13 H 1 0.934 0.030 . 1 . . . . 58 LEU HD1 . 10213 1 659 . 1 1 58 58 LEU CD2 C 13 24.615 0.300 . 2 . . . . 58 LEU CD2 . 10213 1 660 . 1 1 58 58 LEU HD21 H 1 0.797 0.030 . 1 . . . . 58 LEU HD2 . 10213 1 661 . 1 1 58 58 LEU HD22 H 1 0.797 0.030 . 1 . . . . 58 LEU HD2 . 10213 1 662 . 1 1 58 58 LEU HD23 H 1 0.797 0.030 . 1 . . . . 58 LEU HD2 . 10213 1 663 . 1 1 58 58 LEU C C 13 177.960 0.300 . 1 . . . . 58 LEU C . 10213 1 664 . 1 1 59 59 LEU N N 15 124.007 0.300 . 1 . . . . 59 LEU N . 10213 1 665 . 1 1 59 59 LEU H H 1 8.269 0.030 . 1 . . . . 59 LEU H . 10213 1 666 . 1 1 59 59 LEU CA C 13 54.156 0.300 . 1 . . . . 59 LEU CA . 10213 1 667 . 1 1 59 59 LEU HA H 1 4.261 0.030 . 1 . . . . 59 LEU HA . 10213 1 668 . 1 1 59 59 LEU CB C 13 42.986 0.300 . 1 . . . . 59 LEU CB . 10213 1 669 . 1 1 59 59 LEU HB2 H 1 1.427 0.030 . 2 . . . . 59 LEU HB2 . 10213 1 670 . 1 1 59 59 LEU HB3 H 1 1.338 0.030 . 2 . . . . 59 LEU HB3 . 10213 1 671 . 1 1 59 59 LEU CG C 13 26.804 0.300 . 1 . . . . 59 LEU CG . 10213 1 672 . 1 1 59 59 LEU HG H 1 1.215 0.030 . 1 . . . . 59 LEU HG . 10213 1 673 . 1 1 59 59 LEU CD1 C 13 25.216 0.300 . 2 . . . . 59 LEU CD1 . 10213 1 674 . 1 1 59 59 LEU HD11 H 1 0.640 0.030 . 1 . . . . 59 LEU HD1 . 10213 1 675 . 1 1 59 59 LEU HD12 H 1 0.640 0.030 . 1 . . . . 59 LEU HD1 . 10213 1 676 . 1 1 59 59 LEU HD13 H 1 0.640 0.030 . 1 . . . . 59 LEU HD1 . 10213 1 677 . 1 1 59 59 LEU CD2 C 13 22.497 0.300 . 2 . . . . 59 LEU CD2 . 10213 1 678 . 1 1 59 59 LEU HD21 H 1 0.752 0.030 . 1 . . . . 59 LEU HD2 . 10213 1 679 . 1 1 59 59 LEU HD22 H 1 0.752 0.030 . 1 . . . . 59 LEU HD2 . 10213 1 680 . 1 1 59 59 LEU HD23 H 1 0.752 0.030 . 1 . . . . 59 LEU HD2 . 10213 1 681 . 1 1 59 59 LEU C C 13 177.645 0.300 . 1 . . . . 59 LEU C . 10213 1 682 . 1 1 60 60 LYS N N 15 122.593 0.300 . 1 . . . . 60 LYS N . 10213 1 683 . 1 1 60 60 LYS H H 1 8.458 0.030 . 1 . . . . 60 LYS H . 10213 1 684 . 1 1 60 60 LYS CA C 13 58.263 0.300 . 1 . . . . 60 LYS CA . 10213 1 685 . 1 1 60 60 LYS HA H 1 4.101 0.030 . 1 . . . . 60 LYS HA . 10213 1 686 . 1 1 60 60 LYS CB C 13 31.732 0.300 . 1 . . . . 60 LYS CB . 10213 1 687 . 1 1 60 60 LYS HB2 H 1 1.693 0.030 . 2 . . . . 60 LYS HB2 . 10213 1 688 . 1 1 60 60 LYS HB3 H 1 1.803 0.030 . 2 . . . . 60 LYS HB3 . 10213 1 689 . 1 1 60 60 LYS CG C 13 24.654 0.300 . 1 . . . . 60 LYS CG . 10213 1 690 . 1 1 60 60 LYS HG2 H 1 1.392 0.030 . 2 . . . . 60 LYS HG2 . 10213 1 691 . 1 1 60 60 LYS HG3 H 1 1.482 0.030 . 2 . . . . 60 LYS HG3 . 10213 1 692 . 1 1 60 60 LYS CD C 13 29.186 0.300 . 1 . . . . 60 LYS CD . 10213 1 693 . 1 1 60 60 LYS HD2 H 1 1.674 0.030 . 2 . . . . 60 LYS HD2 . 10213 1 694 . 1 1 60 60 LYS CE C 13 42.191 0.300 . 1 . . . . 60 LYS CE . 10213 1 695 . 1 1 60 60 LYS HE2 H 1 2.977 0.030 . 2 . . . . 60 LYS HE2 . 10213 1 696 . 1 1 60 60 LYS C C 13 178.422 0.300 . 1 . . . . 60 LYS C . 10213 1 697 . 1 1 61 61 GLY H H 1 9.070 0.030 . 1 . . . . 61 GLY H . 10213 1 698 . 1 1 61 61 GLY CA C 13 45.355 0.300 . 1 . . . . 61 GLY CA . 10213 1 699 . 1 1 61 61 GLY HA2 H 1 3.641 0.030 . 2 . . . . 61 GLY HA2 . 10213 1 700 . 1 1 61 61 GLY HA3 H 1 4.223 0.030 . 2 . . . . 61 GLY HA3 . 10213 1 701 . 1 1 61 61 GLY C C 13 173.907 0.300 . 1 . . . . 61 GLY C . 10213 1 702 . 1 1 62 62 ASN N N 15 112.617 0.300 . 1 . . . . 62 ASN N . 10213 1 703 . 1 1 62 62 ASN H H 1 8.639 0.030 . 1 . . . . 62 ASN H . 10213 1 704 . 1 1 62 62 ASN CA C 13 55.115 0.300 . 1 . . . . 62 ASN CA . 10213 1 705 . 1 1 62 62 ASN HA H 1 4.208 0.030 . 1 . . . . 62 ASN HA . 10213 1 706 . 1 1 62 62 ASN CB C 13 36.133 0.300 . 1 . . . . 62 ASN CB . 10213 1 707 . 1 1 62 62 ASN HB2 H 1 3.090 0.030 . 2 . . . . 62 ASN HB2 . 10213 1 708 . 1 1 62 62 ASN HB3 H 1 3.703 0.030 . 2 . . . . 62 ASN HB3 . 10213 1 709 . 1 1 62 62 ASN ND2 N 15 111.900 0.300 . 1 . . . . 62 ASN ND2 . 10213 1 710 . 1 1 62 62 ASN HD21 H 1 7.580 0.030 . 2 . . . . 62 ASN HD21 . 10213 1 711 . 1 1 62 62 ASN HD22 H 1 6.710 0.030 . 2 . . . . 62 ASN HD22 . 10213 1 712 . 1 1 62 62 ASN C C 13 173.810 0.300 . 1 . . . . 62 ASN C . 10213 1 713 . 1 1 63 63 MET N N 15 114.254 0.300 . 1 . . . . 63 MET N . 10213 1 714 . 1 1 63 63 MET H H 1 7.967 0.030 . 1 . . . . 63 MET H . 10213 1 715 . 1 1 63 63 MET CA C 13 53.229 0.300 . 1 . . . . 63 MET CA . 10213 1 716 . 1 1 63 63 MET HA H 1 4.908 0.030 . 1 . . . . 63 MET HA . 10213 1 717 . 1 1 63 63 MET CB C 13 29.363 0.300 . 1 . . . . 63 MET CB . 10213 1 718 . 1 1 63 63 MET HB2 H 1 1.725 0.030 . 2 . . . . 63 MET HB2 . 10213 1 719 . 1 1 63 63 MET HB3 H 1 2.413 0.030 . 2 . . . . 63 MET HB3 . 10213 1 720 . 1 1 63 63 MET CG C 13 31.542 0.300 . 1 . . . . 63 MET CG . 10213 1 721 . 1 1 63 63 MET HG2 H 1 2.265 0.030 . 2 . . . . 63 MET HG2 . 10213 1 722 . 1 1 63 63 MET HG3 H 1 2.599 0.030 . 2 . . . . 63 MET HG3 . 10213 1 723 . 1 1 63 63 MET CE C 13 15.643 0.300 . 1 . . . . 63 MET CE . 10213 1 724 . 1 1 63 63 MET HE1 H 1 1.781 0.030 . 1 . . . . 63 MET HE . 10213 1 725 . 1 1 63 63 MET HE2 H 1 1.781 0.030 . 1 . . . . 63 MET HE . 10213 1 726 . 1 1 63 63 MET HE3 H 1 1.781 0.030 . 1 . . . . 63 MET HE . 10213 1 727 . 1 1 63 63 MET C C 13 175.436 0.300 . 1 . . . . 63 MET C . 10213 1 728 . 1 1 64 64 GLY N N 15 102.826 0.300 . 1 . . . . 64 GLY N . 10213 1 729 . 1 1 64 64 GLY H H 1 7.039 0.030 . 1 . . . . 64 GLY H . 10213 1 730 . 1 1 64 64 GLY CA C 13 45.381 0.300 . 1 . . . . 64 GLY CA . 10213 1 731 . 1 1 64 64 GLY HA2 H 1 4.902 0.030 . 2 . . . . 64 GLY HA2 . 10213 1 732 . 1 1 64 64 GLY HA3 H 1 4.026 0.030 . 2 . . . . 64 GLY HA3 . 10213 1 733 . 1 1 64 64 GLY C C 13 171.868 0.300 . 1 . . . . 64 GLY C . 10213 1 734 . 1 1 65 65 VAL N N 15 110.602 0.300 . 1 . . . . 65 VAL N . 10213 1 735 . 1 1 65 65 VAL H H 1 8.994 0.030 . 1 . . . . 65 VAL H . 10213 1 736 . 1 1 65 65 VAL CA C 13 58.892 0.300 . 1 . . . . 65 VAL CA . 10213 1 737 . 1 1 65 65 VAL HA H 1 5.511 0.030 . 1 . . . . 65 VAL HA . 10213 1 738 . 1 1 65 65 VAL CB C 13 36.392 0.300 . 1 . . . . 65 VAL CB . 10213 1 739 . 1 1 65 65 VAL HB H 1 2.383 0.030 . 1 . . . . 65 VAL HB . 10213 1 740 . 1 1 65 65 VAL CG1 C 13 22.696 0.300 . 2 . . . . 65 VAL CG1 . 10213 1 741 . 1 1 65 65 VAL HG11 H 1 0.916 0.030 . 1 . . . . 65 VAL HG1 . 10213 1 742 . 1 1 65 65 VAL HG12 H 1 0.916 0.030 . 1 . . . . 65 VAL HG1 . 10213 1 743 . 1 1 65 65 VAL HG13 H 1 0.916 0.030 . 1 . . . . 65 VAL HG1 . 10213 1 744 . 1 1 65 65 VAL CG2 C 13 19.265 0.300 . 2 . . . . 65 VAL CG2 . 10213 1 745 . 1 1 65 65 VAL HG21 H 1 0.821 0.030 . 1 . . . . 65 VAL HG2 . 10213 1 746 . 1 1 65 65 VAL HG22 H 1 0.821 0.030 . 1 . . . . 65 VAL HG2 . 10213 1 747 . 1 1 65 65 VAL HG23 H 1 0.821 0.030 . 1 . . . . 65 VAL HG2 . 10213 1 748 . 1 1 65 65 VAL C C 13 174.319 0.300 . 1 . . . . 65 VAL C . 10213 1 749 . 1 1 66 66 CYS N N 15 115.721 0.300 . 1 . . . . 66 CYS N . 10213 1 750 . 1 1 66 66 CYS H H 1 9.175 0.030 . 1 . . . . 66 CYS H . 10213 1 751 . 1 1 66 66 CYS CA C 13 54.912 0.300 . 1 . . . . 66 CYS CA . 10213 1 752 . 1 1 66 66 CYS HA H 1 5.590 0.030 . 1 . . . . 66 CYS HA . 10213 1 753 . 1 1 66 66 CYS CB C 13 31.672 0.300 . 1 . . . . 66 CYS CB . 10213 1 754 . 1 1 66 66 CYS HB2 H 1 2.581 0.030 . 2 . . . . 66 CYS HB2 . 10213 1 755 . 1 1 66 66 CYS HB3 H 1 2.839 0.030 . 2 . . . . 66 CYS HB3 . 10213 1 756 . 1 1 66 66 CYS C C 13 171.941 0.300 . 1 . . . . 66 CYS C . 10213 1 757 . 1 1 67 67 PHE N N 15 114.941 0.300 . 1 . . . . 67 PHE N . 10213 1 758 . 1 1 67 67 PHE H H 1 8.220 0.030 . 1 . . . . 67 PHE H . 10213 1 759 . 1 1 67 67 PHE CA C 13 56.468 0.300 . 1 . . . . 67 PHE CA . 10213 1 760 . 1 1 67 67 PHE HA H 1 4.879 0.030 . 1 . . . . 67 PHE HA . 10213 1 761 . 1 1 67 67 PHE CB C 13 39.366 0.300 . 1 . . . . 67 PHE CB . 10213 1 762 . 1 1 67 67 PHE HB2 H 1 2.942 0.030 . 2 . . . . 67 PHE HB2 . 10213 1 763 . 1 1 67 67 PHE HB3 H 1 2.985 0.030 . 2 . . . . 67 PHE HB3 . 10213 1 764 . 1 1 67 67 PHE CD1 C 13 132.549 0.300 . 1 . . . . 67 PHE CD1 . 10213 1 765 . 1 1 67 67 PHE HD1 H 1 6.605 0.030 . 1 . . . . 67 PHE HD1 . 10213 1 766 . 1 1 67 67 PHE CD2 C 13 132.549 0.300 . 1 . . . . 67 PHE CD2 . 10213 1 767 . 1 1 67 67 PHE HD2 H 1 6.605 0.030 . 1 . . . . 67 PHE HD2 . 10213 1 768 . 1 1 67 67 PHE CE1 C 13 129.924 0.300 . 1 . . . . 67 PHE CE1 . 10213 1 769 . 1 1 67 67 PHE HE1 H 1 6.750 0.030 . 1 . . . . 67 PHE HE1 . 10213 1 770 . 1 1 67 67 PHE CE2 C 13 129.924 0.300 . 1 . . . . 67 PHE CE2 . 10213 1 771 . 1 1 67 67 PHE HE2 H 1 6.750 0.030 . 1 . . . . 67 PHE HE2 . 10213 1 772 . 1 1 67 67 PHE CZ C 13 128.423 0.300 . 1 . . . . 67 PHE CZ . 10213 1 773 . 1 1 67 67 PHE HZ H 1 6.544 0.030 . 1 . . . . 67 PHE HZ . 10213 1 774 . 1 1 67 67 PHE C C 13 171.552 0.300 . 1 . . . . 67 PHE C . 10213 1 775 . 1 1 68 68 ASP N N 15 119.507 0.300 . 1 . . . . 68 ASP N . 10213 1 776 . 1 1 68 68 ASP H H 1 9.072 0.030 . 1 . . . . 68 ASP H . 10213 1 777 . 1 1 68 68 ASP CA C 13 52.737 0.300 . 1 . . . . 68 ASP CA . 10213 1 778 . 1 1 68 68 ASP HA H 1 5.901 0.030 . 1 . . . . 68 ASP HA . 10213 1 779 . 1 1 68 68 ASP CB C 13 42.545 0.300 . 1 . . . . 68 ASP CB . 10213 1 780 . 1 1 68 68 ASP HB2 H 1 2.440 0.030 . 2 . . . . 68 ASP HB2 . 10213 1 781 . 1 1 68 68 ASP HB3 H 1 2.256 0.030 . 2 . . . . 68 ASP HB3 . 10213 1 782 . 1 1 68 68 ASP C C 13 176.116 0.300 . 1 . . . . 68 ASP C . 10213 1 783 . 1 1 69 69 VAL N N 15 114.937 0.300 . 1 . . . . 69 VAL N . 10213 1 784 . 1 1 69 69 VAL H H 1 8.819 0.030 . 1 . . . . 69 VAL H . 10213 1 785 . 1 1 69 69 VAL CA C 13 58.051 0.300 . 1 . . . . 69 VAL CA . 10213 1 786 . 1 1 69 69 VAL HA H 1 5.205 0.030 . 1 . . . . 69 VAL HA . 10213 1 787 . 1 1 69 69 VAL CB C 13 35.698 0.300 . 1 . . . . 69 VAL CB . 10213 1 788 . 1 1 69 69 VAL HB H 1 2.065 0.030 . 1 . . . . 69 VAL HB . 10213 1 789 . 1 1 69 69 VAL CG1 C 13 22.309 0.300 . 2 . . . . 69 VAL CG1 . 10213 1 790 . 1 1 69 69 VAL HG11 H 1 1.090 0.030 . 1 . . . . 69 VAL HG1 . 10213 1 791 . 1 1 69 69 VAL HG12 H 1 1.090 0.030 . 1 . . . . 69 VAL HG1 . 10213 1 792 . 1 1 69 69 VAL HG13 H 1 1.090 0.030 . 1 . . . . 69 VAL HG1 . 10213 1 793 . 1 1 69 69 VAL CG2 C 13 20.470 0.300 . 2 . . . . 69 VAL CG2 . 10213 1 794 . 1 1 69 69 VAL HG21 H 1 0.976 0.030 . 1 . . . . 69 VAL HG2 . 10213 1 795 . 1 1 69 69 VAL HG22 H 1 0.976 0.030 . 1 . . . . 69 VAL HG2 . 10213 1 796 . 1 1 69 69 VAL HG23 H 1 0.976 0.030 . 1 . . . . 69 VAL HG2 . 10213 1 797 . 1 1 69 69 VAL C C 13 173.154 0.300 . 1 . . . . 69 VAL C . 10213 1 798 . 1 1 70 70 PRO CA C 13 62.946 0.300 . 1 . . . . 70 PRO CA . 10213 1 799 . 1 1 70 70 PRO HA H 1 4.479 0.030 . 1 . . . . 70 PRO HA . 10213 1 800 . 1 1 70 70 PRO CB C 13 32.255 0.300 . 1 . . . . 70 PRO CB . 10213 1 801 . 1 1 70 70 PRO HB2 H 1 1.730 0.030 . 2 . . . . 70 PRO HB2 . 10213 1 802 . 1 1 70 70 PRO HB3 H 1 2.359 0.030 . 2 . . . . 70 PRO HB3 . 10213 1 803 . 1 1 70 70 PRO CG C 13 28.404 0.300 . 1 . . . . 70 PRO CG . 10213 1 804 . 1 1 70 70 PRO HG2 H 1 1.978 0.030 . 2 . . . . 70 PRO HG2 . 10213 1 805 . 1 1 70 70 PRO HG3 H 1 2.270 0.030 . 2 . . . . 70 PRO HG3 . 10213 1 806 . 1 1 70 70 PRO CD C 13 51.404 0.300 . 1 . . . . 70 PRO CD . 10213 1 807 . 1 1 70 70 PRO HD2 H 1 3.432 0.030 . 2 . . . . 70 PRO HD2 . 10213 1 808 . 1 1 70 70 PRO HD3 H 1 4.331 0.030 . 2 . . . . 70 PRO HD3 . 10213 1 809 . 1 1 70 70 PRO C C 13 178.737 0.300 . 1 . . . . 70 PRO C . 10213 1 810 . 1 1 71 71 THR N N 15 119.743 0.300 . 1 . . . . 71 THR N . 10213 1 811 . 1 1 71 71 THR H H 1 8.401 0.030 . 1 . . . . 71 THR H . 10213 1 812 . 1 1 71 71 THR CA C 13 66.415 0.300 . 1 . . . . 71 THR CA . 10213 1 813 . 1 1 71 71 THR HA H 1 3.761 0.030 . 1 . . . . 71 THR HA . 10213 1 814 . 1 1 71 71 THR CB C 13 68.476 0.300 . 1 . . . . 71 THR CB . 10213 1 815 . 1 1 71 71 THR HB H 1 3.986 0.030 . 1 . . . . 71 THR HB . 10213 1 816 . 1 1 71 71 THR CG2 C 13 22.379 0.300 . 1 . . . . 71 THR CG2 . 10213 1 817 . 1 1 71 71 THR HG21 H 1 1.132 0.030 . 1 . . . . 71 THR HG2 . 10213 1 818 . 1 1 71 71 THR HG22 H 1 1.132 0.030 . 1 . . . . 71 THR HG2 . 10213 1 819 . 1 1 71 71 THR HG23 H 1 1.132 0.030 . 1 . . . . 71 THR HG2 . 10213 1 820 . 1 1 71 71 THR C C 13 176.965 0.300 . 1 . . . . 71 THR C . 10213 1 821 . 1 1 72 72 THR N N 15 109.724 0.300 . 1 . . . . 72 THR N . 10213 1 822 . 1 1 72 72 THR H H 1 7.747 0.030 . 1 . . . . 72 THR H . 10213 1 823 . 1 1 72 72 THR CA C 13 64.100 0.300 . 1 . . . . 72 THR CA . 10213 1 824 . 1 1 72 72 THR HA H 1 4.120 0.030 . 1 . . . . 72 THR HA . 10213 1 825 . 1 1 72 72 THR CB C 13 68.471 0.300 . 1 . . . . 72 THR CB . 10213 1 826 . 1 1 72 72 THR HB H 1 4.342 0.030 . 1 . . . . 72 THR HB . 10213 1 827 . 1 1 72 72 THR CG2 C 13 22.307 0.300 . 1 . . . . 72 THR CG2 . 10213 1 828 . 1 1 72 72 THR HG21 H 1 1.265 0.030 . 1 . . . . 72 THR HG2 . 10213 1 829 . 1 1 72 72 THR HG22 H 1 1.265 0.030 . 1 . . . . 72 THR HG2 . 10213 1 830 . 1 1 72 72 THR HG23 H 1 1.265 0.030 . 1 . . . . 72 THR HG2 . 10213 1 831 . 1 1 72 72 THR C C 13 175.849 0.300 . 1 . . . . 72 THR C . 10213 1 832 . 1 1 73 73 GLU N N 15 118.626 0.300 . 1 . . . . 73 GLU N . 10213 1 833 . 1 1 73 73 GLU H H 1 7.767 0.030 . 1 . . . . 73 GLU H . 10213 1 834 . 1 1 73 73 GLU CA C 13 55.623 0.300 . 1 . . . . 73 GLU CA . 10213 1 835 . 1 1 73 73 GLU HA H 1 4.587 0.030 . 1 . . . . 73 GLU HA . 10213 1 836 . 1 1 73 73 GLU CB C 13 30.542 0.300 . 1 . . . . 73 GLU CB . 10213 1 837 . 1 1 73 73 GLU HB2 H 1 1.769 0.030 . 2 . . . . 73 GLU HB2 . 10213 1 838 . 1 1 73 73 GLU HB3 H 1 2.310 0.030 . 2 . . . . 73 GLU HB3 . 10213 1 839 . 1 1 73 73 GLU CG C 13 34.941 0.300 . 1 . . . . 73 GLU CG . 10213 1 840 . 1 1 73 73 GLU HG2 H 1 2.105 0.030 . 2 . . . . 73 GLU HG2 . 10213 1 841 . 1 1 73 73 GLU HG3 H 1 2.319 0.030 . 2 . . . . 73 GLU HG3 . 10213 1 842 . 1 1 73 73 GLU C C 13 177.257 0.300 . 1 . . . . 73 GLU C . 10213 1 843 . 1 1 74 74 SER N N 15 114.932 0.300 . 1 . . . . 74 SER N . 10213 1 844 . 1 1 74 74 SER H H 1 7.442 0.030 . 1 . . . . 74 SER H . 10213 1 845 . 1 1 74 74 SER CA C 13 62.099 0.300 . 1 . . . . 74 SER CA . 10213 1 846 . 1 1 74 74 SER HA H 1 3.938 0.030 . 1 . . . . 74 SER HA . 10213 1 847 . 1 1 74 74 SER CB C 13 63.067 0.300 . 1 . . . . 74 SER CB . 10213 1 848 . 1 1 74 74 SER HB2 H 1 3.825 0.030 . 2 . . . . 74 SER HB2 . 10213 1 849 . 1 1 74 74 SER HB3 H 1 3.757 0.030 . 2 . . . . 74 SER HB3 . 10213 1 850 . 1 1 74 74 SER C C 13 176.528 0.300 . 1 . . . . 74 SER C . 10213 1 851 . 1 1 75 75 GLU N N 15 120.907 0.300 . 1 . . . . 75 GLU N . 10213 1 852 . 1 1 75 75 GLU H H 1 8.350 0.030 . 1 . . . . 75 GLU H . 10213 1 853 . 1 1 75 75 GLU CA C 13 59.706 0.300 . 1 . . . . 75 GLU CA . 10213 1 854 . 1 1 75 75 GLU HA H 1 4.045 0.030 . 1 . . . . 75 GLU HA . 10213 1 855 . 1 1 75 75 GLU CB C 13 29.085 0.300 . 1 . . . . 75 GLU CB . 10213 1 856 . 1 1 75 75 GLU HB2 H 1 2.026 0.030 . 1 . . . . 75 GLU HB2 . 10213 1 857 . 1 1 75 75 GLU HB3 H 1 2.026 0.030 . 1 . . . . 75 GLU HB3 . 10213 1 858 . 1 1 75 75 GLU CG C 13 36.701 0.300 . 1 . . . . 75 GLU CG . 10213 1 859 . 1 1 75 75 GLU HG2 H 1 2.234 0.030 . 2 . . . . 75 GLU HG2 . 10213 1 860 . 1 1 75 75 GLU HG3 H 1 2.359 0.030 . 2 . . . . 75 GLU HG3 . 10213 1 861 . 1 1 75 75 GLU C C 13 179.320 0.300 . 1 . . . . 75 GLU C . 10213 1 862 . 1 1 76 76 ARG N N 15 121.343 0.300 . 1 . . . . 76 ARG N . 10213 1 863 . 1 1 76 76 ARG H H 1 7.948 0.030 . 1 . . . . 76 ARG H . 10213 1 864 . 1 1 76 76 ARG CA C 13 59.188 0.300 . 1 . . . . 76 ARG CA . 10213 1 865 . 1 1 76 76 ARG HA H 1 4.094 0.030 . 1 . . . . 76 ARG HA . 10213 1 866 . 1 1 76 76 ARG CB C 13 29.726 0.300 . 1 . . . . 76 ARG CB . 10213 1 867 . 1 1 76 76 ARG HB2 H 1 1.935 0.030 . 1 . . . . 76 ARG HB2 . 10213 1 868 . 1 1 76 76 ARG HB3 H 1 1.935 0.030 . 1 . . . . 76 ARG HB3 . 10213 1 869 . 1 1 76 76 ARG CG C 13 27.389 0.300 . 1 . . . . 76 ARG CG . 10213 1 870 . 1 1 76 76 ARG HG2 H 1 1.605 0.030 . 2 . . . . 76 ARG HG2 . 10213 1 871 . 1 1 76 76 ARG HG3 H 1 1.774 0.030 . 2 . . . . 76 ARG HG3 . 10213 1 872 . 1 1 76 76 ARG CD C 13 43.588 0.300 . 1 . . . . 76 ARG CD . 10213 1 873 . 1 1 76 76 ARG HD2 H 1 3.238 0.030 . 2 . . . . 76 ARG HD2 . 10213 1 874 . 1 1 76 76 ARG HE H 1 7.700 0.030 . 1 . . . . 76 ARG HE . 10213 1 875 . 1 1 76 76 ARG C C 13 178.373 0.300 . 1 . . . . 76 ARG C . 10213 1 876 . 1 1 77 77 LEU N N 15 120.110 0.300 . 1 . . . . 77 LEU N . 10213 1 877 . 1 1 77 77 LEU H H 1 8.029 0.030 . 1 . . . . 77 LEU H . 10213 1 878 . 1 1 77 77 LEU CA C 13 59.809 0.300 . 1 . . . . 77 LEU CA . 10213 1 879 . 1 1 77 77 LEU HA H 1 3.975 0.030 . 1 . . . . 77 LEU HA . 10213 1 880 . 1 1 77 77 LEU CB C 13 42.216 0.300 . 1 . . . . 77 LEU CB . 10213 1 881 . 1 1 77 77 LEU HB2 H 1 1.585 0.030 . 2 . . . . 77 LEU HB2 . 10213 1 882 . 1 1 77 77 LEU HB3 H 1 1.810 0.030 . 2 . . . . 77 LEU HB3 . 10213 1 883 . 1 1 77 77 LEU CG C 13 29.286 0.300 . 1 . . . . 77 LEU CG . 10213 1 884 . 1 1 77 77 LEU HG H 1 1.814 0.030 . 1 . . . . 77 LEU HG . 10213 1 885 . 1 1 77 77 LEU CD1 C 13 26.191 0.300 . 2 . . . . 77 LEU CD1 . 10213 1 886 . 1 1 77 77 LEU HD11 H 1 0.943 0.030 . 1 . . . . 77 LEU HD1 . 10213 1 887 . 1 1 77 77 LEU HD12 H 1 0.943 0.030 . 1 . . . . 77 LEU HD1 . 10213 1 888 . 1 1 77 77 LEU HD13 H 1 0.943 0.030 . 1 . . . . 77 LEU HD1 . 10213 1 889 . 1 1 77 77 LEU CD2 C 13 25.386 0.300 . 2 . . . . 77 LEU CD2 . 10213 1 890 . 1 1 77 77 LEU HD21 H 1 0.881 0.030 . 1 . . . . 77 LEU HD2 . 10213 1 891 . 1 1 77 77 LEU HD22 H 1 0.881 0.030 . 1 . . . . 77 LEU HD2 . 10213 1 892 . 1 1 77 77 LEU HD23 H 1 0.881 0.030 . 1 . . . . 77 LEU HD2 . 10213 1 893 . 1 1 77 77 LEU C C 13 178.810 0.300 . 1 . . . . 77 LEU C . 10213 1 894 . 1 1 78 78 GLN N N 15 114.090 0.300 . 1 . . . . 78 GLN N . 10213 1 895 . 1 1 78 78 GLN H H 1 7.680 0.030 . 1 . . . . 78 GLN H . 10213 1 896 . 1 1 78 78 GLN CA C 13 59.600 0.300 . 1 . . . . 78 GLN CA . 10213 1 897 . 1 1 78 78 GLN HA H 1 3.915 0.030 . 1 . . . . 78 GLN HA . 10213 1 898 . 1 1 78 78 GLN CB C 13 30.101 0.300 . 1 . . . . 78 GLN CB . 10213 1 899 . 1 1 78 78 GLN HB2 H 1 2.064 0.030 . 2 . . . . 78 GLN HB2 . 10213 1 900 . 1 1 78 78 GLN HB3 H 1 2.193 0.030 . 2 . . . . 78 GLN HB3 . 10213 1 901 . 1 1 78 78 GLN CG C 13 35.543 0.300 . 1 . . . . 78 GLN CG . 10213 1 902 . 1 1 78 78 GLN HG2 H 1 2.486 0.030 . 2 . . . . 78 GLN HG2 . 10213 1 903 . 1 1 78 78 GLN HG3 H 1 2.097 0.030 . 2 . . . . 78 GLN HG3 . 10213 1 904 . 1 1 78 78 GLN NE2 N 15 111.737 0.300 . 1 . . . . 78 GLN NE2 . 10213 1 905 . 1 1 78 78 GLN HE21 H 1 7.053 0.030 . 2 . . . . 78 GLN HE21 . 10213 1 906 . 1 1 78 78 GLN HE22 H 1 6.937 0.030 . 2 . . . . 78 GLN HE22 . 10213 1 907 . 1 1 78 78 GLN C C 13 178.325 0.300 . 1 . . . . 78 GLN C . 10213 1 908 . 1 1 79 79 ALA N N 15 119.863 0.300 . 1 . . . . 79 ALA N . 10213 1 909 . 1 1 79 79 ALA H H 1 7.900 0.030 . 1 . . . . 79 ALA H . 10213 1 910 . 1 1 79 79 ALA CA C 13 54.321 0.300 . 1 . . . . 79 ALA CA . 10213 1 911 . 1 1 79 79 ALA HA H 1 4.255 0.030 . 1 . . . . 79 ALA HA . 10213 1 912 . 1 1 79 79 ALA CB C 13 18.596 0.300 . 1 . . . . 79 ALA CB . 10213 1 913 . 1 1 79 79 ALA HB1 H 1 1.560 0.030 . 1 . . . . 79 ALA HB . 10213 1 914 . 1 1 79 79 ALA HB2 H 1 1.560 0.030 . 1 . . . . 79 ALA HB . 10213 1 915 . 1 1 79 79 ALA HB3 H 1 1.560 0.030 . 1 . . . . 79 ALA HB . 10213 1 916 . 1 1 79 79 ALA C C 13 179.514 0.300 . 1 . . . . 79 ALA C . 10213 1 917 . 1 1 80 80 GLU N N 15 115.847 0.300 . 1 . . . . 80 GLU N . 10213 1 918 . 1 1 80 80 GLU H H 1 7.773 0.030 . 1 . . . . 80 GLU H . 10213 1 919 . 1 1 80 80 GLU CA C 13 57.312 0.300 . 1 . . . . 80 GLU CA . 10213 1 920 . 1 1 80 80 GLU HA H 1 4.286 0.030 . 1 . . . . 80 GLU HA . 10213 1 921 . 1 1 80 80 GLU CB C 13 31.095 0.300 . 1 . . . . 80 GLU CB . 10213 1 922 . 1 1 80 80 GLU HB2 H 1 2.128 0.030 . 2 . . . . 80 GLU HB2 . 10213 1 923 . 1 1 80 80 GLU HB3 H 1 2.312 0.030 . 2 . . . . 80 GLU HB3 . 10213 1 924 . 1 1 80 80 GLU CG C 13 36.895 0.300 . 1 . . . . 80 GLU CG . 10213 1 925 . 1 1 80 80 GLU HG2 H 1 2.616 0.030 . 2 . . . . 80 GLU HG2 . 10213 1 926 . 1 1 80 80 GLU HG3 H 1 2.336 0.030 . 2 . . . . 80 GLU HG3 . 10213 1 927 . 1 1 80 80 GLU C C 13 176.965 0.300 . 1 . . . . 80 GLU C . 10213 1 928 . 1 1 81 81 TRP N N 15 122.132 0.300 . 1 . . . . 81 TRP N . 10213 1 929 . 1 1 81 81 TRP H H 1 7.661 0.030 . 1 . . . . 81 TRP H . 10213 1 930 . 1 1 81 81 TRP CA C 13 58.641 0.300 . 1 . . . . 81 TRP CA . 10213 1 931 . 1 1 81 81 TRP HA H 1 4.261 0.030 . 1 . . . . 81 TRP HA . 10213 1 932 . 1 1 81 81 TRP CB C 13 29.118 0.300 . 1 . . . . 81 TRP CB . 10213 1 933 . 1 1 81 81 TRP HB2 H 1 3.427 0.030 . 2 . . . . 81 TRP HB2 . 10213 1 934 . 1 1 81 81 TRP HB3 H 1 3.220 0.030 . 2 . . . . 81 TRP HB3 . 10213 1 935 . 1 1 81 81 TRP CD1 C 13 127.475 0.300 . 1 . . . . 81 TRP CD1 . 10213 1 936 . 1 1 81 81 TRP HD1 H 1 7.287 0.030 . 1 . . . . 81 TRP HD1 . 10213 1 937 . 1 1 81 81 TRP NE1 N 15 127.685 0.300 . 1 . . . . 81 TRP NE1 . 10213 1 938 . 1 1 81 81 TRP HE1 H 1 9.817 0.030 . 1 . . . . 81 TRP HE1 . 10213 1 939 . 1 1 81 81 TRP CE3 C 13 118.791 0.300 . 1 . . . . 81 TRP CE3 . 10213 1 940 . 1 1 81 81 TRP HE3 H 1 7.308 0.030 . 1 . . . . 81 TRP HE3 . 10213 1 941 . 1 1 81 81 TRP CZ2 C 13 115.571 0.300 . 1 . . . . 81 TRP CZ2 . 10213 1 942 . 1 1 81 81 TRP HZ2 H 1 7.406 0.030 . 1 . . . . 81 TRP HZ2 . 10213 1 943 . 1 1 81 81 TRP CZ3 C 13 121.525 0.300 . 1 . . . . 81 TRP CZ3 . 10213 1 944 . 1 1 81 81 TRP HZ3 H 1 6.820 0.030 . 1 . . . . 81 TRP HZ3 . 10213 1 945 . 1 1 81 81 TRP CH2 C 13 122.922 0.300 . 1 . . . . 81 TRP CH2 . 10213 1 946 . 1 1 81 81 TRP HH2 H 1 6.572 0.030 . 1 . . . . 81 TRP HH2 . 10213 1 947 . 1 1 81 81 TRP C C 13 174.611 0.300 . 1 . . . . 81 TRP C . 10213 1 948 . 1 1 82 82 HIS CA C 13 54.101 0.300 . 1 . . . . 82 HIS CA . 10213 1 949 . 1 1 82 82 HIS HA H 1 4.727 0.030 . 1 . . . . 82 HIS HA . 10213 1 950 . 1 1 82 82 HIS CB C 13 30.847 0.300 . 1 . . . . 82 HIS CB . 10213 1 951 . 1 1 82 82 HIS HB2 H 1 2.994 0.030 . 2 . . . . 82 HIS HB2 . 10213 1 952 . 1 1 82 82 HIS HB3 H 1 3.267 0.030 . 2 . . . . 82 HIS HB3 . 10213 1 953 . 1 1 82 82 HIS CD2 C 13 120.917 0.300 . 1 . . . . 82 HIS CD2 . 10213 1 954 . 1 1 82 82 HIS HD2 H 1 7.191 0.030 . 1 . . . . 82 HIS HD2 . 10213 1 955 . 1 1 82 82 HIS CE1 C 13 136.975 0.300 . 1 . . . . 82 HIS CE1 . 10213 1 956 . 1 1 82 82 HIS HE1 H 1 8.382 0.030 . 1 . . . . 82 HIS HE1 . 10213 1 957 . 1 1 83 83 ASP CA C 13 54.997 0.300 . 1 . . . . 83 ASP CA . 10213 1 958 . 1 1 83 83 ASP HA H 1 4.342 0.030 . 1 . . . . 83 ASP HA . 10213 1 959 . 1 1 83 83 ASP CB C 13 40.395 0.300 . 1 . . . . 83 ASP CB . 10213 1 960 . 1 1 83 83 ASP HB2 H 1 2.384 0.030 . 2 . . . . 83 ASP HB2 . 10213 1 961 . 1 1 83 83 ASP HB3 H 1 2.706 0.030 . 2 . . . . 83 ASP HB3 . 10213 1 962 . 1 1 83 83 ASP C C 13 174.198 0.300 . 1 . . . . 83 ASP C . 10213 1 963 . 1 1 84 84 SER N N 15 111.986 0.300 . 1 . . . . 84 SER N . 10213 1 964 . 1 1 84 84 SER H H 1 7.863 0.030 . 1 . . . . 84 SER H . 10213 1 965 . 1 1 84 84 SER CA C 13 56.714 0.300 . 1 . . . . 84 SER CA . 10213 1 966 . 1 1 84 84 SER HA H 1 4.584 0.030 . 1 . . . . 84 SER HA . 10213 1 967 . 1 1 84 84 SER CB C 13 64.374 0.300 . 1 . . . . 84 SER CB . 10213 1 968 . 1 1 84 84 SER HB2 H 1 3.391 0.030 . 2 . . . . 84 SER HB2 . 10213 1 969 . 1 1 84 84 SER HB3 H 1 3.113 0.030 . 2 . . . . 84 SER HB3 . 10213 1 970 . 1 1 84 84 SER C C 13 174.489 0.300 . 1 . . . . 84 SER C . 10213 1 971 . 1 1 85 85 ASP N N 15 125.547 0.300 . 1 . . . . 85 ASP N . 10213 1 972 . 1 1 85 85 ASP H H 1 9.268 0.030 . 1 . . . . 85 ASP H . 10213 1 973 . 1 1 85 85 ASP CA C 13 55.447 0.300 . 1 . . . . 85 ASP CA . 10213 1 974 . 1 1 85 85 ASP HA H 1 4.704 0.030 . 1 . . . . 85 ASP HA . 10213 1 975 . 1 1 85 85 ASP CB C 13 40.980 0.300 . 1 . . . . 85 ASP CB . 10213 1 976 . 1 1 85 85 ASP HB2 H 1 2.698 0.030 . 2 . . . . 85 ASP HB2 . 10213 1 977 . 1 1 85 85 ASP HB3 H 1 2.820 0.030 . 2 . . . . 85 ASP HB3 . 10213 1 978 . 1 1 85 85 ASP C C 13 177.038 0.300 . 1 . . . . 85 ASP C . 10213 1 979 . 1 1 86 86 TRP N N 15 121.831 0.300 . 1 . . . . 86 TRP N . 10213 1 980 . 1 1 86 86 TRP H H 1 9.345 0.030 . 1 . . . . 86 TRP H . 10213 1 981 . 1 1 86 86 TRP CA C 13 56.967 0.300 . 1 . . . . 86 TRP CA . 10213 1 982 . 1 1 86 86 TRP HA H 1 5.091 0.030 . 1 . . . . 86 TRP HA . 10213 1 983 . 1 1 86 86 TRP CB C 13 29.118 0.300 . 1 . . . . 86 TRP CB . 10213 1 984 . 1 1 86 86 TRP HB2 H 1 3.178 0.030 . 2 . . . . 86 TRP HB2 . 10213 1 985 . 1 1 86 86 TRP HB3 H 1 3.455 0.030 . 2 . . . . 86 TRP HB3 . 10213 1 986 . 1 1 86 86 TRP CD1 C 13 126.862 0.300 . 1 . . . . 86 TRP CD1 . 10213 1 987 . 1 1 86 86 TRP HD1 H 1 7.369 0.030 . 1 . . . . 86 TRP HD1 . 10213 1 988 . 1 1 86 86 TRP NE1 N 15 130.855 0.300 . 1 . . . . 86 TRP NE1 . 10213 1 989 . 1 1 86 86 TRP HE1 H 1 10.359 0.030 . 1 . . . . 86 TRP HE1 . 10213 1 990 . 1 1 86 86 TRP CE3 C 13 121.016 0.300 . 1 . . . . 86 TRP CE3 . 10213 1 991 . 1 1 86 86 TRP HE3 H 1 7.265 0.030 . 1 . . . . 86 TRP HE3 . 10213 1 992 . 1 1 86 86 TRP CZ2 C 13 114.667 0.300 . 1 . . . . 86 TRP CZ2 . 10213 1 993 . 1 1 86 86 TRP HZ2 H 1 7.407 0.030 . 1 . . . . 86 TRP HZ2 . 10213 1 994 . 1 1 86 86 TRP CZ3 C 13 119.741 0.300 . 1 . . . . 86 TRP CZ3 . 10213 1 995 . 1 1 86 86 TRP HZ3 H 1 6.785 0.030 . 1 . . . . 86 TRP HZ3 . 10213 1 996 . 1 1 86 86 TRP CH2 C 13 123.425 0.300 . 1 . . . . 86 TRP CH2 . 10213 1 997 . 1 1 86 86 TRP HH2 H 1 6.897 0.030 . 1 . . . . 86 TRP HH2 . 10213 1 998 . 1 1 86 86 TRP C C 13 176.723 0.300 . 1 . . . . 86 TRP C . 10213 1 999 . 1 1 87 87 ILE N N 15 123.116 0.300 . 1 . . . . 87 ILE N . 10213 1 1000 . 1 1 87 87 ILE H H 1 8.965 0.030 . 1 . . . . 87 ILE H . 10213 1 1001 . 1 1 87 87 ILE CA C 13 60.595 0.300 . 1 . . . . 87 ILE CA . 10213 1 1002 . 1 1 87 87 ILE HA H 1 4.462 0.030 . 1 . . . . 87 ILE HA . 10213 1 1003 . 1 1 87 87 ILE CB C 13 40.354 0.300 . 1 . . . . 87 ILE CB . 10213 1 1004 . 1 1 87 87 ILE HB H 1 1.760 0.030 . 1 . . . . 87 ILE HB . 10213 1 1005 . 1 1 87 87 ILE CG1 C 13 27.556 0.300 . 1 . . . . 87 ILE CG1 . 10213 1 1006 . 1 1 87 87 ILE HG12 H 1 1.223 0.030 . 2 . . . . 87 ILE HG12 . 10213 1 1007 . 1 1 87 87 ILE HG13 H 1 1.580 0.030 . 2 . . . . 87 ILE HG13 . 10213 1 1008 . 1 1 87 87 ILE CG2 C 13 17.609 0.300 . 1 . . . . 87 ILE CG2 . 10213 1 1009 . 1 1 87 87 ILE HG21 H 1 0.863 0.030 . 1 . . . . 87 ILE HG2 . 10213 1 1010 . 1 1 87 87 ILE HG22 H 1 0.863 0.030 . 1 . . . . 87 ILE HG2 . 10213 1 1011 . 1 1 87 87 ILE HG23 H 1 0.863 0.030 . 1 . . . . 87 ILE HG2 . 10213 1 1012 . 1 1 87 87 ILE CD1 C 13 12.967 0.300 . 1 . . . . 87 ILE CD1 . 10213 1 1013 . 1 1 87 87 ILE HD11 H 1 0.841 0.030 . 1 . . . . 87 ILE HD1 . 10213 1 1014 . 1 1 87 87 ILE HD12 H 1 0.841 0.030 . 1 . . . . 87 ILE HD1 . 10213 1 1015 . 1 1 87 87 ILE HD13 H 1 0.841 0.030 . 1 . . . . 87 ILE HD1 . 10213 1 1016 . 1 1 87 87 ILE C C 13 175.824 0.300 . 1 . . . . 87 ILE C . 10213 1 1017 . 1 1 88 88 LEU N N 15 134.475 0.300 . 1 . . . . 88 LEU N . 10213 1 1018 . 1 1 88 88 LEU H H 1 8.736 0.030 . 1 . . . . 88 LEU H . 10213 1 1019 . 1 1 88 88 LEU CA C 13 53.763 0.300 . 1 . . . . 88 LEU CA . 10213 1 1020 . 1 1 88 88 LEU HA H 1 5.163 0.030 . 1 . . . . 88 LEU HA . 10213 1 1021 . 1 1 88 88 LEU CB C 13 43.020 0.300 . 1 . . . . 88 LEU CB . 10213 1 1022 . 1 1 88 88 LEU HB2 H 1 0.007 0.030 . 2 . . . . 88 LEU HB2 . 10213 1 1023 . 1 1 88 88 LEU HB3 H 1 1.441 0.030 . 2 . . . . 88 LEU HB3 . 10213 1 1024 . 1 1 88 88 LEU CG C 13 27.071 0.300 . 1 . . . . 88 LEU CG . 10213 1 1025 . 1 1 88 88 LEU HG H 1 1.066 0.030 . 1 . . . . 88 LEU HG . 10213 1 1026 . 1 1 88 88 LEU CD1 C 13 23.583 0.300 . 2 . . . . 88 LEU CD1 . 10213 1 1027 . 1 1 88 88 LEU HD11 H 1 0.535 0.030 . 1 . . . . 88 LEU HD1 . 10213 1 1028 . 1 1 88 88 LEU HD12 H 1 0.535 0.030 . 1 . . . . 88 LEU HD1 . 10213 1 1029 . 1 1 88 88 LEU HD13 H 1 0.535 0.030 . 1 . . . . 88 LEU HD1 . 10213 1 1030 . 1 1 88 88 LEU CD2 C 13 26.370 0.300 . 2 . . . . 88 LEU CD2 . 10213 1 1031 . 1 1 88 88 LEU HD21 H 1 0.445 0.030 . 1 . . . . 88 LEU HD2 . 10213 1 1032 . 1 1 88 88 LEU HD22 H 1 0.445 0.030 . 1 . . . . 88 LEU HD2 . 10213 1 1033 . 1 1 88 88 LEU HD23 H 1 0.445 0.030 . 1 . . . . 88 LEU HD2 . 10213 1 1034 . 1 1 88 88 LEU C C 13 175.824 0.300 . 1 . . . . 88 LEU C . 10213 1 1035 . 1 1 89 89 SER N N 15 122.016 0.300 . 1 . . . . 89 SER N . 10213 1 1036 . 1 1 89 89 SER H H 1 9.152 0.030 . 1 . . . . 89 SER H . 10213 1 1037 . 1 1 89 89 SER CA C 13 57.242 0.300 . 1 . . . . 89 SER CA . 10213 1 1038 . 1 1 89 89 SER HA H 1 4.739 0.030 . 1 . . . . 89 SER HA . 10213 1 1039 . 1 1 89 89 SER CB C 13 65.526 0.300 . 1 . . . . 89 SER CB . 10213 1 1040 . 1 1 89 89 SER HB2 H 1 3.622 0.030 . 2 . . . . 89 SER HB2 . 10213 1 1041 . 1 1 89 89 SER HB3 H 1 3.689 0.030 . 2 . . . . 89 SER HB3 . 10213 1 1042 . 1 1 89 89 SER C C 13 171.989 0.300 . 1 . . . . 89 SER C . 10213 1 1043 . 1 1 90 90 VAL N N 15 119.844 0.300 . 1 . . . . 90 VAL N . 10213 1 1044 . 1 1 90 90 VAL H H 1 8.220 0.030 . 1 . . . . 90 VAL H . 10213 1 1045 . 1 1 90 90 VAL CA C 13 59.143 0.300 . 1 . . . . 90 VAL CA . 10213 1 1046 . 1 1 90 90 VAL HA H 1 4.604 0.030 . 1 . . . . 90 VAL HA . 10213 1 1047 . 1 1 90 90 VAL CB C 13 33.056 0.300 . 1 . . . . 90 VAL CB . 10213 1 1048 . 1 1 90 90 VAL HB H 1 2.022 0.030 . 1 . . . . 90 VAL HB . 10213 1 1049 . 1 1 90 90 VAL CG1 C 13 20.843 0.300 . 2 . . . . 90 VAL CG1 . 10213 1 1050 . 1 1 90 90 VAL HG11 H 1 0.821 0.030 . 1 . . . . 90 VAL HG1 . 10213 1 1051 . 1 1 90 90 VAL HG12 H 1 0.821 0.030 . 1 . . . . 90 VAL HG1 . 10213 1 1052 . 1 1 90 90 VAL HG13 H 1 0.821 0.030 . 1 . . . . 90 VAL HG1 . 10213 1 1053 . 1 1 90 90 VAL CG2 C 13 21.337 0.300 . 2 . . . . 90 VAL CG2 . 10213 1 1054 . 1 1 90 90 VAL HG21 H 1 0.899 0.030 . 1 . . . . 90 VAL HG2 . 10213 1 1055 . 1 1 90 90 VAL HG22 H 1 0.899 0.030 . 1 . . . . 90 VAL HG2 . 10213 1 1056 . 1 1 90 90 VAL HG23 H 1 0.899 0.030 . 1 . . . . 90 VAL HG2 . 10213 1 1057 . 1 1 90 90 VAL C C 13 174.198 0.300 . 1 . . . . 90 VAL C . 10213 1 1058 . 1 1 91 91 PRO CA C 13 63.467 0.300 . 1 . . . . 91 PRO CA . 10213 1 1059 . 1 1 91 91 PRO HA H 1 4.329 0.030 . 1 . . . . 91 PRO HA . 10213 1 1060 . 1 1 91 91 PRO CB C 13 32.003 0.300 . 1 . . . . 91 PRO CB . 10213 1 1061 . 1 1 91 91 PRO HB2 H 1 1.891 0.030 . 2 . . . . 91 PRO HB2 . 10213 1 1062 . 1 1 91 91 PRO HB3 H 1 2.210 0.030 . 2 . . . . 91 PRO HB3 . 10213 1 1063 . 1 1 91 91 PRO CG C 13 27.365 0.300 . 1 . . . . 91 PRO CG . 10213 1 1064 . 1 1 91 91 PRO HG2 H 1 1.915 0.030 . 2 . . . . 91 PRO HG2 . 10213 1 1065 . 1 1 91 91 PRO HG3 H 1 1.822 0.030 . 2 . . . . 91 PRO HG3 . 10213 1 1066 . 1 1 91 91 PRO CD C 13 51.044 0.300 . 1 . . . . 91 PRO CD . 10213 1 1067 . 1 1 91 91 PRO HD2 H 1 3.659 0.030 . 2 . . . . 91 PRO HD2 . 10213 1 1068 . 1 1 91 91 PRO HD3 H 1 3.823 0.030 . 2 . . . . 91 PRO HD3 . 10213 1 1069 . 1 1 91 91 PRO C C 13 175.557 0.300 . 1 . . . . 91 PRO C . 10213 1 1070 . 1 1 92 92 ALA N N 15 130.150 0.300 . 1 . . . . 92 ALA N . 10213 1 1071 . 1 1 92 92 ALA H H 1 7.997 0.030 . 1 . . . . 92 ALA H . 10213 1 1072 . 1 1 92 92 ALA CA C 13 53.757 0.300 . 1 . . . . 92 ALA CA . 10213 1 1073 . 1 1 92 92 ALA HA H 1 4.117 0.030 . 1 . . . . 92 ALA HA . 10213 1 1074 . 1 1 92 92 ALA CB C 13 20.254 0.300 . 1 . . . . 92 ALA CB . 10213 1 1075 . 1 1 92 92 ALA HB1 H 1 1.326 0.030 . 1 . . . . 92 ALA HB . 10213 1 1076 . 1 1 92 92 ALA HB2 H 1 1.326 0.030 . 1 . . . . 92 ALA HB . 10213 1 1077 . 1 1 92 92 ALA HB3 H 1 1.326 0.030 . 1 . . . . 92 ALA HB . 10213 1 1078 . 1 1 92 92 ALA C C 13 182.718 0.300 . 1 . . . . 92 ALA C . 10213 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 10213 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $condition_1 _RDC_list.Spectrometer_frequency_1H 800 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10213 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10213 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 19 19 GLY H H 1 . . 1 1 19 19 GLY N N 15 . 1.642 . . . . . . . 19 GLY HN . 19 GLY N 10213 1 2 DNH . 1 1 20 20 PHE H H 1 . . 1 1 20 20 PHE N N 15 . 7.419 . . . . . . . 20 PHE HN . 20 PHE N 10213 1 3 DNH . 1 1 21 21 VAL H H 1 . . 1 1 21 21 VAL N N 15 . 6.750 . . . . . . . 21 VAL HN . 21 VAL N 10213 1 4 DNH . 1 1 22 22 THR H H 1 . . 1 1 22 22 THR N N 15 . 5.290 . . . . . . . 22 THR HN . 22 THR N 10213 1 5 DNH . 1 1 23 23 MET H H 1 . . 1 1 23 23 MET N N 15 . 3.344 . . . . . . . 23 MET HN . 23 MET N 10213 1 6 DNH . 1 1 24 24 THR H H 1 . . 1 1 24 24 THR N N 15 . -0.061 . . . . . . . 24 THR HN . 24 THR N 10213 1 7 DNH . 1 1 25 25 LEU H H 1 . . 1 1 25 25 LEU N N 15 . 2.189 . . . . . . . 25 LEU HN . 25 LEU N 10213 1 8 DNH . 1 1 26 26 GLU H H 1 . . 1 1 26 26 GLU N N 15 . -2.615 . . . . . . . 26 GLU HN . 26 GLU N 10213 1 9 DNH . 1 1 27 27 SER H H 1 . . 1 1 27 27 SER N N 15 . 4.500 . . . . . . . 27 SER HN . 27 SER N 10213 1 10 DNH . 1 1 28 28 LEU H H 1 . . 1 1 28 28 LEU N N 15 . 5.473 . . . . . . . 28 LEU HN . 28 LEU N 10213 1 11 DNH . 1 1 29 29 GLU H H 1 . . 1 1 29 29 GLU N N 15 . -3.648 . . . . . . . 29 GLU HN . 29 GLU N 10213 1 12 DNH . 1 1 30 30 GLU H H 1 . . 1 1 30 30 GLU N N 15 . -6.750 . . . . . . . 30 GLU HN . 30 GLU N 10213 1 13 DNH . 1 1 31 31 ILE H H 1 . . 1 1 31 31 ILE N N 15 . 3.101 . . . . . . . 31 ILE HN . 31 ILE N 10213 1 14 DNH . 1 1 32 32 GLN H H 1 . . 1 1 32 32 GLN N N 15 . 6.446 . . . . . . . 32 GLN HN . 32 GLN N 10213 1 15 DNH . 1 1 34 34 VAL H H 1 . . 1 1 34 34 VAL N N 15 . 5.716 . . . . . . . 34 VAL HN . 34 VAL N 10213 1 16 DNH . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER N N 15 . -5.229 . . . . . . . 35 SER HN . 35 SER N 10213 1 17 DNH . 1 1 36 36 CYS H H 1 . . 1 1 36 36 CYS N N 15 . 0.973 . . . . . . . 36 CYS HN . 36 CYS N 10213 1 18 DNH . 1 1 37 37 ALA H H 1 . . 1 1 37 37 ALA N N 15 . 3.709 . . . . . . . 37 ALA HN . 37 ALA N 10213 1 19 DNH . 1 1 38 38 TRP H H 1 . . 1 1 38 38 TRP N N 15 . -1.338 . . . . . . . 38 TRP HN . 38 TRP N 10213 1 20 DNH . 1 1 39 39 LYS H H 1 . . 1 1 39 39 LYS N N 15 . -4.743 . . . . . . . 39 LYS HN . 39 LYS N 10213 1 21 DNH . 1 1 40 40 GLU H H 1 . . 1 1 40 40 GLU N N 15 . 3.223 . . . . . . . 40 GLU HN . 40 GLU N 10213 1 22 DNH . 1 1 41 41 LEU H H 1 . . 1 1 41 41 LEU N N 15 . 0.791 . . . . . . . 41 LEU HN . 41 LEU N 10213 1 23 DNH . 1 1 42 42 ASN H H 1 . . 1 1 42 42 ASN N N 15 . -5.655 . . . . . . . 42 ASN HN . 42 ASN N 10213 1 24 DNH . 1 1 43 43 ARG H H 1 . . 1 1 43 43 ARG N N 15 . 0.304 . . . . . . . 43 ARG HN . 43 ARG N 10213 1 25 DNH . 1 1 44 44 LYS H H 1 . . 1 1 44 44 LYS N N 15 . 3.466 . . . . . . . 44 LYS HN . 44 LYS N 10213 1 26 DNH . 1 1 45 45 LEU H H 1 . . 1 1 45 45 LEU N N 15 . -3.162 . . . . . . . 45 LEU HN . 45 LEU N 10213 1 27 DNH . 1 1 46 46 SER H H 1 . . 1 1 46 46 SER N N 15 . -0.122 . . . . . . . 46 SER HN . 46 SER N 10213 1 28 DNH . 1 1 47 47 SER H H 1 . . 1 1 47 47 SER N N 15 . 5.716 . . . . . . . 47 SER HN . 47 SER N 10213 1 29 DNH . 1 1 49 49 ALA H H 1 . . 1 1 49 49 ALA N N 15 . 5.108 . . . . . . . 49 ALA HN . 49 ALA N 10213 1 30 DNH . 1 1 50 50 VAL H H 1 . . 1 1 50 50 VAL N N 15 . 7.054 . . . . . . . 50 VAL HN . 50 VAL N 10213 1 31 DNH . 1 1 51 51 SER H H 1 . . 1 1 51 51 SER N N 15 . 3.344 . . . . . . . 51 SER HN . 51 SER N 10213 1 32 DNH . 1 1 52 52 GLN H H 1 . . 1 1 52 52 GLN N N 15 . 4.682 . . . . . . . 52 GLN HN . 52 GLN N 10213 1 33 DNH . 1 1 53 53 ILE H H 1 . . 1 1 53 53 ILE N N 15 . 5.777 . . . . . . . 53 ILE HN . 53 ILE N 10213 1 34 DNH . 1 1 54 54 THR H H 1 . . 1 1 54 54 THR N N 15 . 3.466 . . . . . . . 54 THR HN . 54 THR N 10213 1 35 DNH . 1 1 55 55 ARG H H 1 . . 1 1 55 55 ARG N N 15 . 4.561 . . . . . . . 55 ARG HN . 55 ARG N 10213 1 36 DNH . 1 1 56 56 MET H H 1 . . 1 1 56 56 MET N N 15 . 4.500 . . . . . . . 56 MET HN . 56 MET N 10213 1 37 DNH . 1 1 57 57 CYS H H 1 . . 1 1 57 57 CYS N N 15 . 0.912 . . . . . . . 57 CYS HN . 57 CYS N 10213 1 38 DNH . 1 1 58 58 LEU H H 1 . . 1 1 58 58 LEU N N 15 . 2.858 . . . . . . . 58 LEU HN . 58 LEU N 10213 1 39 DNH . 1 1 59 59 LEU H H 1 . . 1 1 59 59 LEU N N 15 . 6.385 . . . . . . . 59 LEU HN . 59 LEU N 10213 1 40 DNH . 1 1 60 60 LYS H H 1 . . 1 1 60 60 LYS N N 15 . -6.567 . . . . . . . 60 LYS HN . 60 LYS N 10213 1 41 DNH . 1 1 62 62 ASN H H 1 . . 1 1 62 62 ASN N N 15 . -1.216 . . . . . . . 62 ASN HN . 62 ASN N 10213 1 42 DNH . 1 1 63 63 MET H H 1 . . 1 1 63 63 MET N N 15 . 5.534 . . . . . . . 63 MET HN . 63 MET N 10213 1 43 DNH . 1 1 64 64 GLY H H 1 . . 1 1 64 64 GLY N N 15 . 1.581 . . . . . . . 64 GLY HN . 64 GLY N 10213 1 44 DNH . 1 1 65 65 VAL H H 1 . . 1 1 65 65 VAL N N 15 . 2.128 . . . . . . . 65 VAL HN . 65 VAL N 10213 1 45 DNH . 1 1 66 66 CYS H H 1 . . 1 1 66 66 CYS N N 15 . 1.155 . . . . . . . 66 CYS HN . 66 CYS N 10213 1 46 DNH . 1 1 67 67 PHE H H 1 . . 1 1 67 67 PHE N N 15 . 1.642 . . . . . . . 67 PHE HN . 67 PHE N 10213 1 47 DNH . 1 1 68 68 ASP H H 1 . . 1 1 68 68 ASP N N 15 . 2.007 . . . . . . . 68 ASP HN . 68 ASP N 10213 1 48 DNH . 1 1 69 69 VAL H H 1 . . 1 1 69 69 VAL N N 15 . 5.838 . . . . . . . 69 VAL HN . 69 VAL N 10213 1 49 DNH . 1 1 71 71 THR H H 1 . . 1 1 71 71 THR N N 15 . 5.290 . . . . . . . 71 THR HN . 71 THR N 10213 1 50 DNH . 1 1 72 72 THR H H 1 . . 1 1 72 72 THR N N 15 . 4.439 . . . . . . . 72 THR HN . 72 THR N 10213 1 51 DNH . 1 1 73 73 GLU H H 1 . . 1 1 73 73 GLU N N 15 . 4.257 . . . . . . . 73 GLU HN . 73 GLU N 10213 1 52 DNH . 1 1 74 74 SER H H 1 . . 1 1 74 74 SER N N 15 . 0.669 . . . . . . . 74 SER HN . 74 SER N 10213 1 53 DNH . 1 1 75 75 GLU H H 1 . . 1 1 75 75 GLU N N 15 . -4.561 . . . . . . . 75 GLU HN . 75 GLU N 10213 1 54 DNH . 1 1 76 76 ARG H H 1 . . 1 1 76 76 ARG N N 15 . 1.155 . . . . . . . 76 ARG HN . 76 ARG N 10213 1 55 DNH . 1 1 77 77 LEU H H 1 . . 1 1 77 77 LEU N N 15 . 3.344 . . . . . . . 77 LEU HN . 77 LEU N 10213 1 56 DNH . 1 1 79 79 ALA H H 1 . . 1 1 79 79 ALA N N 15 . -2.189 . . . . . . . 79 ALA HN . 79 ALA N 10213 1 57 DNH . 1 1 80 80 GLU H H 1 . . 1 1 80 80 GLU N N 15 . 4.257 . . . . . . . 80 GLU HN . 80 GLU N 10213 1 58 DNH . 1 1 81 81 TRP H H 1 . . 1 1 81 81 TRP N N 15 . 0.973 . . . . . . . 81 TRP HN . 81 TRP N 10213 1 59 DNH . 1 1 84 84 SER H H 1 . . 1 1 84 84 SER N N 15 . 2.250 . . . . . . . 84 SER HN . 84 SER N 10213 1 60 DNH . 1 1 85 85 ASP H H 1 . . 1 1 85 85 ASP N N 15 . 1.946 . . . . . . . 85 ASP HN . 85 ASP N 10213 1 61 DNH . 1 1 86 86 TRP H H 1 . . 1 1 86 86 TRP N N 15 . 3.953 . . . . . . . 86 TRP HN . 86 TRP N 10213 1 62 DNH . 1 1 87 87 ILE H H 1 . . 1 1 87 87 ILE N N 15 . -3.223 . . . . . . . 87 ILE HN . 87 ILE N 10213 1 63 DNH . 1 1 88 88 LEU H H 1 . . 1 1 88 88 LEU N N 15 . 4.317 . . . . . . . 88 LEU HN . 88 LEU N 10213 1 64 DNH . 1 1 89 89 SER H H 1 . . 1 1 89 89 SER N N 15 . 1.338 . . . . . . . 89 SER HN . 89 SER N 10213 1 65 DNH . 1 1 90 90 VAL H H 1 . . 1 1 90 90 VAL N N 15 . 3.466 . . . . . . . 90 VAL HN . 90 VAL N 10213 1 66 DNH . 1 1 92 92 ALA H H 1 . . 1 1 92 92 ALA N N 15 . -3.831 . . . . . . . 92 ALA HN . 92 ALA N 10213 1 67 DCC . 1 1 20 20 PHE CA C 13 . . 1 1 20 20 PHE C C 13 . 0.453 . . . . . . . 20 PHE CA . 20 PHE C' 10213 1 68 DCC . 1 1 21 21 VAL CA C 13 . . 1 1 21 21 VAL C C 13 . -1.509 . . . . . . . 21 VAL CA . 21 VAL C' 10213 1 69 DCC . 1 1 22 22 THR CA C 13 . . 1 1 22 22 THR C C 13 . 0.151 . . . . . . . 22 THR CA . 22 THR C' 10213 1 70 DCC . 1 1 23 23 MET CA C 13 . . 1 1 23 23 MET C C 13 . -2.264 . . . . . . . 23 MET CA . 23 MET C' 10213 1 71 DCC . 1 1 24 24 THR CA C 13 . . 1 1 24 24 THR C C 13 . 1.358 . . . . . . . 24 THR CA . 24 THR C' 10213 1 72 DCC . 1 1 25 25 LEU CA C 13 . . 1 1 25 25 LEU C C 13 . -2.264 . . . . . . . 25 LEU CA . 25 LEU C' 10213 1 73 DCC . 1 1 26 26 GLU CA C 13 . . 1 1 26 26 GLU C C 13 . 0.151 . . . . . . . 26 GLU CA . 26 GLU C' 10213 1 74 DCC . 1 1 27 27 SER CA C 13 . . 1 1 27 27 SER C C 13 . -0.151 . . . . . . . 27 SER CA . 27 SER C' 10213 1 75 DCC . 1 1 28 28 LEU CA C 13 . . 1 1 28 28 LEU C C 13 . -1.660 . . . . . . . 28 LEU CA . 28 LEU C' 10213 1 76 DCC . 1 1 29 29 GLU CA C 13 . . 1 1 29 29 GLU C C 13 . 1.358 . . . . . . . 29 GLU CA . 29 GLU C' 10213 1 77 DCC . 1 1 30 30 GLU CA C 13 . . 1 1 30 30 GLU C C 13 . 1.811 . . . . . . . 30 GLU CA . 30 GLU C' 10213 1 78 DCC . 1 1 31 31 ILE CA C 13 . . 1 1 31 31 ILE C C 13 . 0.905 . . . . . . . 31 ILE CA . 31 ILE C' 10213 1 79 DCC . 1 1 32 32 GLN CA C 13 . . 1 1 32 32 GLN C C 13 . 0.151 . . . . . . . 32 GLN CA . 32 GLN C' 10213 1 80 DCC . 1 1 33 33 ASP CA C 13 . . 1 1 33 33 ASP C C 13 . -1.358 . . . . . . . 33 ASP CA . 33 ASP C' 10213 1 81 DCC . 1 1 34 34 VAL CA C 13 . . 1 1 34 34 VAL C C 13 . 1.207 . . . . . . . 34 VAL CA . 34 VAL C' 10213 1 82 DCC . 1 1 35 35 SER CA C 13 . . 1 1 35 35 SER C C 13 . 0.905 . . . . . . . 35 SER CA . 35 SER C' 10213 1 83 DCC . 1 1 36 36 CYS CA C 13 . . 1 1 36 36 CYS C C 13 . -1.509 . . . . . . . 36 CYS CA . 36 CYS C' 10213 1 84 DCC . 1 1 37 37 ALA CA C 13 . . 1 1 37 37 ALA C C 13 . -0.302 . . . . . . . 37 ALA CA . 37 ALA C' 10213 1 85 DCC . 1 1 38 38 TRP CA C 13 . . 1 1 38 38 TRP C C 13 . 1.056 . . . . . . . 38 TRP CA . 38 TRP C' 10213 1 86 DCC . 1 1 39 39 LYS CA C 13 . . 1 1 39 39 LYS C C 13 . 0.302 . . . . . . . 39 LYS CA . 39 LYS C' 10213 1 87 DCC . 1 1 40 40 GLU CA C 13 . . 1 1 40 40 GLU C C 13 . -2.113 . . . . . . . 40 GLU CA . 40 GLU C' 10213 1 88 DCC . 1 1 41 41 LEU CA C 13 . . 1 1 41 41 LEU C C 13 . 0.755 . . . . . . . 41 LEU CA . 41 LEU C' 10213 1 89 DCC . 1 1 42 42 ASN CA C 13 . . 1 1 42 42 ASN C C 13 . 1.207 . . . . . . . 42 ASN CA . 42 ASN C' 10213 1 90 DCC . 1 1 43 43 ARG CA C 13 . . 1 1 43 43 ARG C C 13 . -0.604 . . . . . . . 43 ARG CA . 43 ARG C' 10213 1 91 DCC . 1 1 44 44 LYS CA C 13 . . 1 1 44 44 LYS C C 13 . -1.660 . . . . . . . 44 LYS CA . 44 LYS C' 10213 1 92 DCC . 1 1 45 45 LEU CA C 13 . . 1 1 45 45 LEU C C 13 . 0.755 . . . . . . . 45 LEU CA . 45 LEU C' 10213 1 93 DCC . 1 1 46 46 SER CA C 13 . . 1 1 46 46 SER C C 13 . 0.453 . . . . . . . 46 SER CA . 46 SER C' 10213 1 94 DCC . 1 1 48 48 ASN CA C 13 . . 1 1 48 48 ASN C C 13 . 1.207 . . . . . . . 48 ASN CA . 48 ASN C' 10213 1 95 DCC . 1 1 49 49 ALA CA C 13 . . 1 1 49 49 ALA C C 13 . -0.755 . . . . . . . 49 ALA CA . 49 ALA C' 10213 1 96 DCC . 1 1 50 50 VAL CA C 13 . . 1 1 50 50 VAL C C 13 . 0.755 . . . . . . . 50 VAL CA . 50 VAL C' 10213 1 97 DCC . 1 1 51 51 SER CA C 13 . . 1 1 51 51 SER C C 13 . 0.755 . . . . . . . 51 SER CA . 51 SER C' 10213 1 98 DCC . 1 1 52 52 GLN CA C 13 . . 1 1 52 52 GLN C C 13 . -0.151 . . . . . . . 52 GLN CA . 52 GLN C' 10213 1 99 DCC . 1 1 53 53 ILE CA C 13 . . 1 1 53 53 ILE C C 13 . 0.453 . . . . . . . 53 ILE CA . 53 ILE C' 10213 1 100 DCC . 1 1 54 54 THR CA C 13 . . 1 1 54 54 THR C C 13 . -0.151 . . . . . . . 54 THR CA . 54 THR C' 10213 1 101 DCC . 1 1 55 55 ARG CA C 13 . . 1 1 55 55 ARG C C 13 . -0.453 . . . . . . . 55 ARG CA . 55 ARG C' 10213 1 102 DCC . 1 1 56 56 MET CA C 13 . . 1 1 56 56 MET C C 13 . -1.056 . . . . . . . 56 MET CA . 56 MET C' 10213 1 103 DCC . 1 1 57 57 CYS CA C 13 . . 1 1 57 57 CYS C C 13 . -0.453 . . . . . . . 57 CYS CA . 57 CYS C' 10213 1 104 DCC . 1 1 58 58 LEU CA C 13 . . 1 1 58 58 LEU C C 13 . 1.207 . . . . . . . 58 LEU CA . 58 LEU C' 10213 1 105 DCC . 1 1 59 59 LEU CA C 13 . . 1 1 59 59 LEU C C 13 . -1.509 . . . . . . . 59 LEU CA . 59 LEU C' 10213 1 106 DCC . 1 1 61 61 GLY CA C 13 . . 1 1 61 61 GLY C C 13 . 1.509 . . . . . . . 61 GLY CA . 61 GLY C' 10213 1 107 DCC . 1 1 62 62 ASN CA C 13 . . 1 1 62 62 ASN C C 13 . 1.207 . . . . . . . 62 ASN CA . 62 ASN C' 10213 1 108 DCC . 1 1 63 63 MET CA C 13 . . 1 1 63 63 MET C C 13 . -1.509 . . . . . . . 63 MET CA . 63 MET C' 10213 1 109 DCC . 1 1 64 64 GLY CA C 13 . . 1 1 64 64 GLY C C 13 . 0.151 . . . . . . . 64 GLY CA . 64 GLY C' 10213 1 110 DCC . 1 1 65 65 VAL CA C 13 . . 1 1 65 65 VAL C C 13 . -1.358 . . . . . . . 65 VAL CA . 65 VAL C' 10213 1 111 DCC . 1 1 66 66 CYS CA C 13 . . 1 1 66 66 CYS C C 13 . 0.302 . . . . . . . 66 CYS CA . 66 CYS C' 10213 1 112 DCC . 1 1 67 67 PHE CA C 13 . . 1 1 67 67 PHE C C 13 . -2.414 . . . . . . . 67 PHE CA . 67 PHE C' 10213 1 113 DCC . 1 1 68 68 ASP CA C 13 . . 1 1 68 68 ASP C C 13 . 0.604 . . . . . . . 68 ASP CA . 68 ASP C' 10213 1 114 DCC . 1 1 70 70 PRO CA C 13 . . 1 1 70 70 PRO C C 13 . 0.302 . . . . . . . 70 PRO CA . 70 PRO C' 10213 1 115 DCC . 1 1 71 71 THR CA C 13 . . 1 1 71 71 THR C C 13 . 0.755 . . . . . . . 71 THR CA . 71 THR C' 10213 1 116 DCC . 1 1 72 72 THR CA C 13 . . 1 1 72 72 THR C C 13 . -0.151 . . . . . . . 72 THR CA . 72 THR C' 10213 1 117 DCC . 1 1 73 73 GLU CA C 13 . . 1 1 73 73 GLU C C 13 . -0.453 . . . . . . . 73 GLU CA . 73 GLU C' 10213 1 118 DCC . 1 1 74 74 SER CA C 13 . . 1 1 74 74 SER C C 13 . 1.358 . . . . . . . 74 SER CA . 74 SER C' 10213 1 119 DCC . 1 1 75 75 GLU CA C 13 . . 1 1 75 75 GLU C C 13 . 1.207 . . . . . . . 75 GLU CA . 75 GLU C' 10213 1 120 DCC . 1 1 76 76 ARG CA C 13 . . 1 1 76 76 ARG C C 13 . -2.414 . . . . . . . 76 ARG CA . 76 ARG C' 10213 1 121 DCC . 1 1 77 77 LEU CA C 13 . . 1 1 77 77 LEU C C 13 . 0.453 . . . . . . . 77 LEU CA . 77 LEU C' 10213 1 122 DCC . 1 1 78 78 GLN CA C 13 . . 1 1 78 78 GLN C C 13 . 1.358 . . . . . . . 78 GLN CA . 78 GLN C' 10213 1 123 DCC . 1 1 79 79 ALA CA C 13 . . 1 1 79 79 ALA C C 13 . 0.453 . . . . . . . 79 ALA CA . 79 ALA C' 10213 1 124 DCC . 1 1 80 80 GLU CA C 13 . . 1 1 80 80 GLU C C 13 . -2.113 . . . . . . . 80 GLU CA . 80 GLU C' 10213 1 125 DCC . 1 1 83 83 ASP CA C 13 . . 1 1 83 83 ASP C C 13 . -0.302 . . . . . . . 83 ASP CA . 83 ASP C' 10213 1 126 DCC . 1 1 85 85 ASP CA C 13 . . 1 1 85 85 ASP C C 13 . 1.207 . . . . . . . 85 ASP CA . 85 ASP C' 10213 1 127 DCC . 1 1 86 86 TRP CA C 13 . . 1 1 86 86 TRP C C 13 . -1.509 . . . . . . . 86 TRP CA . 86 TRP C' 10213 1 128 DCC . 1 1 87 87 ILE CA C 13 . . 1 1 87 87 ILE C C 13 . -0.755 . . . . . . . 87 ILE CA . 87 ILE C' 10213 1 129 DCC . 1 1 88 88 LEU CA C 13 . . 1 1 88 88 LEU C C 13 . 0.755 . . . . . . . 88 LEU CA . 88 LEU C' 10213 1 130 DCC . 1 1 89 89 SER CA C 13 . . 1 1 89 89 SER C C 13 . 0.000 . . . . . . . 89 SER CA . 89 SER C' 10213 1 stop_ save_