data_11195 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11195 _Entry.Title ; Solution structure of the PDZ domain of human Rho guanine nucleotide exchange factor 11 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-21 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-20 _Entry.Original_release_date 2011-07-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 K. Inoue . . . 11195 2 T. Suetake . . . 11195 3 F. Hayashi . . . 11195 4 S. Yokoyama . . . 11195 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11195 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11195 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 11195 '15N chemical shifts' 83 11195 '1H chemical shifts' 588 11195 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 1 . . 2011-07-20 2010-07-21 original author . 11195 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DLS 'BMRB Entry Tracking System' 11195 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11195 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the PDZ domain of human Rho guanine nucleotide exchange factor 11 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 K. Inoue . . . 11195 1 2 T. Suetake . . . 11195 1 3 F. Hayashi . . . 11195 1 4 S. Yokoyama . . . 11195 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11195 _Assembly.ID 1 _Assembly.Name 'Rho guanine nucleotide exchange factor 11' _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 'PDZ domain' 1 $entity_1 A . yes native no no . . . 11195 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 yes PDB 2dls . . . . . . 11195 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11195 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGVQRCVIIQKDQHG FGFTVSGDRIVLVQSVRPGG AAMKAGVKEGDRIIKVNGTM VTNSSHLEVVKLIKSGAYVA LTLLGSSSGPSSG ; _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 93 _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 2DLS . "Solution Structure Of The Pdz Domain Of Human Rho Guanine Nucleotide Exchange Factor 11" . . . . . 100.00 93 100.00 100.00 1.44e-56 . . . . 11195 1 2 no GB AAH57394 . "Rho guanine nucleotide exchange factor (GEF) 11 [Homo sapiens]" . . . . . 91.40 1562 97.65 97.65 1.56e-43 . . . . 11195 1 3 no GB EAW52892 . "Rho guanine nucleotide exchange factor (GEF) 11, isoform CRA_a [Homo sapiens]" . . . . . 91.40 1562 97.65 97.65 1.56e-43 . . . . 11195 1 4 no GB EHH15364 . "hypothetical protein EGK_01440 [Macaca mulatta]" . . . . . 91.40 1562 97.65 97.65 1.73e-43 . . . . 11195 1 5 no GB EHH50383 . "hypothetical protein EGM_01204 [Macaca fascicularis]" . . . . . 91.40 1562 97.65 97.65 1.56e-43 . . . . 11195 1 6 no REF NP_937879 . "rho guanine nucleotide exchange factor 11 isoform 2 [Homo sapiens]" . . . . . 91.40 1562 97.65 97.65 1.56e-43 . . . . 11195 1 7 no REF XP_001116843 . "PREDICTED: rho guanine nucleotide exchange factor 11 isoform 2 [Macaca mulatta]" . . . . . 91.40 1562 97.65 97.65 1.51e-43 . . . . 11195 1 8 no REF XP_001167782 . "PREDICTED: rho guanine nucleotide exchange factor 11 isoform X12 [Pan troglodytes]" . . . . . 91.40 1522 97.65 97.65 1.47e-43 . . . . 11195 1 9 no REF XP_002810045 . "PREDICTED: rho guanine nucleotide exchange factor 11 isoform X2 [Pongo abelii]" . . . . . 91.40 1562 97.65 97.65 1.73e-43 . . . . 11195 1 10 no REF XP_003937918 . "PREDICTED: rho guanine nucleotide exchange factor 11 isoform X8 [Saimiri boliviensis boliviensis]" . . . . . 91.40 1522 97.65 97.65 8.81e-44 . . . . 11195 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11195 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 . 11195 1 2 . SER . 11195 1 3 . SER . 11195 1 4 . GLY . 11195 1 5 . SER . 11195 1 6 . SER . 11195 1 7 . GLY . 11195 1 8 . VAL . 11195 1 9 . GLN . 11195 1 10 . ARG . 11195 1 11 . CYS . 11195 1 12 . VAL . 11195 1 13 . ILE . 11195 1 14 . ILE . 11195 1 15 . GLN . 11195 1 16 . LYS . 11195 1 17 . ASP . 11195 1 18 . GLN . 11195 1 19 . HIS . 11195 1 20 . GLY . 11195 1 21 . PHE . 11195 1 22 . GLY . 11195 1 23 . PHE . 11195 1 24 . THR . 11195 1 25 . VAL . 11195 1 26 . SER . 11195 1 27 . GLY . 11195 1 28 . ASP . 11195 1 29 . ARG . 11195 1 30 . ILE . 11195 1 31 . VAL . 11195 1 32 . LEU . 11195 1 33 . VAL . 11195 1 34 . GLN . 11195 1 35 . SER . 11195 1 36 . VAL . 11195 1 37 . ARG . 11195 1 38 . PRO . 11195 1 39 . GLY . 11195 1 40 . GLY . 11195 1 41 . ALA . 11195 1 42 . ALA . 11195 1 43 . MET . 11195 1 44 . LYS . 11195 1 45 . ALA . 11195 1 46 . GLY . 11195 1 47 . VAL . 11195 1 48 . LYS . 11195 1 49 . GLU . 11195 1 50 . GLY . 11195 1 51 . ASP . 11195 1 52 . ARG . 11195 1 53 . ILE . 11195 1 54 . ILE . 11195 1 55 . LYS . 11195 1 56 . VAL . 11195 1 57 . ASN . 11195 1 58 . GLY . 11195 1 59 . THR . 11195 1 60 . MET . 11195 1 61 . VAL . 11195 1 62 . THR . 11195 1 63 . ASN . 11195 1 64 . SER . 11195 1 65 . SER . 11195 1 66 . HIS . 11195 1 67 . LEU . 11195 1 68 . GLU . 11195 1 69 . VAL . 11195 1 70 . VAL . 11195 1 71 . LYS . 11195 1 72 . LEU . 11195 1 73 . ILE . 11195 1 74 . LYS . 11195 1 75 . SER . 11195 1 76 . GLY . 11195 1 77 . ALA . 11195 1 78 . TYR . 11195 1 79 . VAL . 11195 1 80 . ALA . 11195 1 81 . LEU . 11195 1 82 . THR . 11195 1 83 . LEU . 11195 1 84 . LEU . 11195 1 85 . GLY . 11195 1 86 . SER . 11195 1 87 . SER . 11195 1 88 . SER . 11195 1 89 . GLY . 11195 1 90 . PRO . 11195 1 91 . SER . 11195 1 92 . SER . 11195 1 93 . GLY . 11195 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 11195 1 . SER 2 2 11195 1 . SER 3 3 11195 1 . GLY 4 4 11195 1 . SER 5 5 11195 1 . SER 6 6 11195 1 . GLY 7 7 11195 1 . VAL 8 8 11195 1 . GLN 9 9 11195 1 . ARG 10 10 11195 1 . CYS 11 11 11195 1 . VAL 12 12 11195 1 . ILE 13 13 11195 1 . ILE 14 14 11195 1 . GLN 15 15 11195 1 . LYS 16 16 11195 1 . ASP 17 17 11195 1 . GLN 18 18 11195 1 . HIS 19 19 11195 1 . GLY 20 20 11195 1 . PHE 21 21 11195 1 . GLY 22 22 11195 1 . PHE 23 23 11195 1 . THR 24 24 11195 1 . VAL 25 25 11195 1 . SER 26 26 11195 1 . GLY 27 27 11195 1 . ASP 28 28 11195 1 . ARG 29 29 11195 1 . ILE 30 30 11195 1 . VAL 31 31 11195 1 . LEU 32 32 11195 1 . VAL 33 33 11195 1 . GLN 34 34 11195 1 . SER 35 35 11195 1 . VAL 36 36 11195 1 . ARG 37 37 11195 1 . PRO 38 38 11195 1 . GLY 39 39 11195 1 . GLY 40 40 11195 1 . ALA 41 41 11195 1 . ALA 42 42 11195 1 . MET 43 43 11195 1 . LYS 44 44 11195 1 . ALA 45 45 11195 1 . GLY 46 46 11195 1 . VAL 47 47 11195 1 . LYS 48 48 11195 1 . GLU 49 49 11195 1 . GLY 50 50 11195 1 . ASP 51 51 11195 1 . ARG 52 52 11195 1 . ILE 53 53 11195 1 . ILE 54 54 11195 1 . LYS 55 55 11195 1 . VAL 56 56 11195 1 . ASN 57 57 11195 1 . GLY 58 58 11195 1 . THR 59 59 11195 1 . MET 60 60 11195 1 . VAL 61 61 11195 1 . THR 62 62 11195 1 . ASN 63 63 11195 1 . SER 64 64 11195 1 . SER 65 65 11195 1 . HIS 66 66 11195 1 . LEU 67 67 11195 1 . GLU 68 68 11195 1 . VAL 69 69 11195 1 . VAL 70 70 11195 1 . LYS 71 71 11195 1 . LEU 72 72 11195 1 . ILE 73 73 11195 1 . LYS 74 74 11195 1 . SER 75 75 11195 1 . GLY 76 76 11195 1 . ALA 77 77 11195 1 . TYR 78 78 11195 1 . VAL 79 79 11195 1 . ALA 80 80 11195 1 . LEU 81 81 11195 1 . THR 82 82 11195 1 . LEU 83 83 11195 1 . LEU 84 84 11195 1 . GLY 85 85 11195 1 . SER 86 86 11195 1 . SER 87 87 11195 1 . SER 88 88 11195 1 . GLY 89 89 11195 1 . PRO 90 90 11195 1 . SER 91 91 11195 1 . SER 92 92 11195 1 . GLY 93 93 11195 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 11195 _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 . . . . . . . . . . . . . . . . . . . . . 11195 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 11195 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050919-12 . . . . . . 11195 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11195 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.20mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _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 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.20 . . mM . . . . 11195 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11195 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11195 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11195 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11195 1 6 H2O . . . . . . solvent 90 . . % . . . . 11195 1 7 D2O . . . . . . solvent 10 . . % . . . . 11195 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 11195 _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 11195 1 pH 7.0 0.05 pH 11195 1 pressure 1 0.001 atm 11195 1 temperature 293 0.1 K 11195 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11195 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11195 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11195 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11195 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11195 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11195 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11195 _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.' . . 11195 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11195 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11195 _Software.ID 4 _Software.Name Kujira _Software.Version 0.93191 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11195 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11195 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11195 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11195 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11195 5 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 11195 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11195 _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 Varian INOVA . 800 . . . 11195 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 11195 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11195 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11195 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 11195 _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 . . . . . . . . . 11195 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11195 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11195 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 11195 _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 15N-separated NOESY' 1 $sample_1 isotropic 11195 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11195 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11195 1 2 $NMRPipe . . 11195 1 3 $NMRView . . 11195 1 4 $Kujira . . 11195 1 5 $CYANA . . 11195 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 H H 1 8.618 0.030 . 1 . . . . 6 SER H . 11195 1 2 . 1 1 6 6 SER HA H 1 4.501 0.030 . 1 . . . . 6 SER HA . 11195 1 3 . 1 1 6 6 SER HB2 H 1 3.843 0.030 . 2 . . . . 6 SER HB2 . 11195 1 4 . 1 1 6 6 SER HB3 H 1 3.915 0.030 . 2 . . . . 6 SER HB3 . 11195 1 5 . 1 1 6 6 SER C C 13 174.728 0.300 . 1 . . . . 6 SER C . 11195 1 6 . 1 1 6 6 SER CA C 13 58.478 0.300 . 1 . . . . 6 SER CA . 11195 1 7 . 1 1 6 6 SER CB C 13 64.165 0.300 . 1 . . . . 6 SER CB . 11195 1 8 . 1 1 7 7 GLY H H 1 8.345 0.030 . 1 . . . . 7 GLY H . 11195 1 9 . 1 1 7 7 GLY HA2 H 1 4.014 0.030 . 2 . . . . 7 GLY HA2 . 11195 1 10 . 1 1 7 7 GLY HA3 H 1 3.949 0.030 . 2 . . . . 7 GLY HA3 . 11195 1 11 . 1 1 7 7 GLY C C 13 173.447 0.300 . 1 . . . . 7 GLY C . 11195 1 12 . 1 1 7 7 GLY CA C 13 45.133 0.300 . 1 . . . . 7 GLY CA . 11195 1 13 . 1 1 7 7 GLY N N 15 110.366 0.300 . 1 . . . . 7 GLY N . 11195 1 14 . 1 1 8 8 VAL H H 1 8.136 0.030 . 1 . . . . 8 VAL H . 11195 1 15 . 1 1 8 8 VAL HA H 1 4.196 0.030 . 1 . . . . 8 VAL HA . 11195 1 16 . 1 1 8 8 VAL HB H 1 2.011 0.030 . 1 . . . . 8 VAL HB . 11195 1 17 . 1 1 8 8 VAL HG11 H 1 0.919 0.030 . 1 . . . . 8 VAL HG1 . 11195 1 18 . 1 1 8 8 VAL HG12 H 1 0.919 0.030 . 1 . . . . 8 VAL HG1 . 11195 1 19 . 1 1 8 8 VAL HG13 H 1 0.919 0.030 . 1 . . . . 8 VAL HG1 . 11195 1 20 . 1 1 8 8 VAL HG21 H 1 0.916 0.030 . 1 . . . . 8 VAL HG2 . 11195 1 21 . 1 1 8 8 VAL HG22 H 1 0.916 0.030 . 1 . . . . 8 VAL HG2 . 11195 1 22 . 1 1 8 8 VAL HG23 H 1 0.916 0.030 . 1 . . . . 8 VAL HG2 . 11195 1 23 . 1 1 8 8 VAL C C 13 175.852 0.300 . 1 . . . . 8 VAL C . 11195 1 24 . 1 1 8 8 VAL CA C 13 61.767 0.300 . 1 . . . . 8 VAL CA . 11195 1 25 . 1 1 8 8 VAL CB C 13 33.230 0.300 . 1 . . . . 8 VAL CB . 11195 1 26 . 1 1 8 8 VAL CG1 C 13 21.136 0.300 . 2 . . . . 8 VAL CG1 . 11195 1 27 . 1 1 8 8 VAL CG2 C 13 20.468 0.300 . 2 . . . . 8 VAL CG2 . 11195 1 28 . 1 1 8 8 VAL N N 15 119.365 0.300 . 1 . . . . 8 VAL N . 11195 1 29 . 1 1 9 9 GLN H H 1 8.608 0.030 . 1 . . . . 9 GLN H . 11195 1 30 . 1 1 9 9 GLN HA H 1 5.137 0.030 . 1 . . . . 9 GLN HA . 11195 1 31 . 1 1 9 9 GLN HB2 H 1 1.889 0.030 . 1 . . . . 9 GLN HB2 . 11195 1 32 . 1 1 9 9 GLN HB3 H 1 1.889 0.030 . 1 . . . . 9 GLN HB3 . 11195 1 33 . 1 1 9 9 GLN HE21 H 1 7.371 0.030 . 2 . . . . 9 GLN HE21 . 11195 1 34 . 1 1 9 9 GLN HE22 H 1 6.713 0.030 . 2 . . . . 9 GLN HE22 . 11195 1 35 . 1 1 9 9 GLN HG2 H 1 2.108 0.030 . 2 . . . . 9 GLN HG2 . 11195 1 36 . 1 1 9 9 GLN HG3 H 1 2.311 0.030 . 2 . . . . 9 GLN HG3 . 11195 1 37 . 1 1 9 9 GLN C C 13 175.553 0.300 . 1 . . . . 9 GLN C . 11195 1 38 . 1 1 9 9 GLN CA C 13 55.135 0.300 . 1 . . . . 9 GLN CA . 11195 1 39 . 1 1 9 9 GLN CB C 13 30.212 0.300 . 1 . . . . 9 GLN CB . 11195 1 40 . 1 1 9 9 GLN CG C 13 34.523 0.300 . 1 . . . . 9 GLN CG . 11195 1 41 . 1 1 9 9 GLN N N 15 125.895 0.300 . 1 . . . . 9 GLN N . 11195 1 42 . 1 1 9 9 GLN NE2 N 15 110.410 0.300 . 1 . . . . 9 GLN NE2 . 11195 1 43 . 1 1 10 10 ARG H H 1 8.980 0.030 . 1 . . . . 10 ARG H . 11195 1 44 . 1 1 10 10 ARG HA H 1 4.760 0.030 . 1 . . . . 10 ARG HA . 11195 1 45 . 1 1 10 10 ARG HB2 H 1 1.674 0.030 . 2 . . . . 10 ARG HB2 . 11195 1 46 . 1 1 10 10 ARG HB3 H 1 1.745 0.030 . 2 . . . . 10 ARG HB3 . 11195 1 47 . 1 1 10 10 ARG HD2 H 1 3.025 0.030 . 2 . . . . 10 ARG HD2 . 11195 1 48 . 1 1 10 10 ARG HD3 H 1 3.169 0.030 . 2 . . . . 10 ARG HD3 . 11195 1 49 . 1 1 10 10 ARG HE H 1 7.336 0.030 . 1 . . . . 10 ARG HE . 11195 1 50 . 1 1 10 10 ARG HG2 H 1 1.643 0.030 . 2 . . . . 10 ARG HG2 . 11195 1 51 . 1 1 10 10 ARG HG3 H 1 1.287 0.030 . 2 . . . . 10 ARG HG3 . 11195 1 52 . 1 1 10 10 ARG C C 13 173.605 0.300 . 1 . . . . 10 ARG C . 11195 1 53 . 1 1 10 10 ARG CA C 13 54.565 0.300 . 1 . . . . 10 ARG CA . 11195 1 54 . 1 1 10 10 ARG CB C 13 33.076 0.300 . 1 . . . . 10 ARG CB . 11195 1 55 . 1 1 10 10 ARG CD C 13 43.200 0.300 . 1 . . . . 10 ARG CD . 11195 1 56 . 1 1 10 10 ARG CG C 13 26.901 0.300 . 1 . . . . 10 ARG CG . 11195 1 57 . 1 1 10 10 ARG N N 15 122.124 0.300 . 1 . . . . 10 ARG N . 11195 1 58 . 1 1 10 10 ARG NE N 15 84.997 0.300 . 1 . . . . 10 ARG NE . 11195 1 59 . 1 1 11 11 CYS H H 1 8.803 0.030 . 1 . . . . 11 CYS H . 11195 1 60 . 1 1 11 11 CYS HA H 1 5.499 0.030 . 1 . . . . 11 CYS HA . 11195 1 61 . 1 1 11 11 CYS HB2 H 1 2.725 0.030 . 2 . . . . 11 CYS HB2 . 11195 1 62 . 1 1 11 11 CYS HB3 H 1 2.935 0.030 . 2 . . . . 11 CYS HB3 . 11195 1 63 . 1 1 11 11 CYS C C 13 174.798 0.300 . 1 . . . . 11 CYS C . 11195 1 64 . 1 1 11 11 CYS CA C 13 57.362 0.300 . 1 . . . . 11 CYS CA . 11195 1 65 . 1 1 11 11 CYS CB C 13 28.557 0.300 . 1 . . . . 11 CYS CB . 11195 1 66 . 1 1 11 11 CYS N N 15 122.173 0.300 . 1 . . . . 11 CYS N . 11195 1 67 . 1 1 12 12 VAL H H 1 9.008 0.030 . 1 . . . . 12 VAL H . 11195 1 68 . 1 1 12 12 VAL HA H 1 4.661 0.030 . 1 . . . . 12 VAL HA . 11195 1 69 . 1 1 12 12 VAL HB H 1 1.905 0.030 . 1 . . . . 12 VAL HB . 11195 1 70 . 1 1 12 12 VAL HG11 H 1 0.721 0.030 . 1 . . . . 12 VAL HG1 . 11195 1 71 . 1 1 12 12 VAL HG12 H 1 0.721 0.030 . 1 . . . . 12 VAL HG1 . 11195 1 72 . 1 1 12 12 VAL HG13 H 1 0.721 0.030 . 1 . . . . 12 VAL HG1 . 11195 1 73 . 1 1 12 12 VAL HG21 H 1 0.795 0.030 . 1 . . . . 12 VAL HG2 . 11195 1 74 . 1 1 12 12 VAL HG22 H 1 0.795 0.030 . 1 . . . . 12 VAL HG2 . 11195 1 75 . 1 1 12 12 VAL HG23 H 1 0.795 0.030 . 1 . . . . 12 VAL HG2 . 11195 1 76 . 1 1 12 12 VAL C C 13 173.973 0.300 . 1 . . . . 12 VAL C . 11195 1 77 . 1 1 12 12 VAL CA C 13 59.744 0.300 . 1 . . . . 12 VAL CA . 11195 1 78 . 1 1 12 12 VAL CB C 13 35.636 0.300 . 1 . . . . 12 VAL CB . 11195 1 79 . 1 1 12 12 VAL CG1 C 13 20.346 0.300 . 2 . . . . 12 VAL CG1 . 11195 1 80 . 1 1 12 12 VAL CG2 C 13 21.692 0.300 . 2 . . . . 12 VAL CG2 . 11195 1 81 . 1 1 12 12 VAL N N 15 122.345 0.300 . 1 . . . . 12 VAL N . 11195 1 82 . 1 1 13 13 ILE H H 1 8.606 0.030 . 1 . . . . 13 ILE H . 11195 1 83 . 1 1 13 13 ILE HA H 1 4.975 0.030 . 1 . . . . 13 ILE HA . 11195 1 84 . 1 1 13 13 ILE HB H 1 1.757 0.030 . 1 . . . . 13 ILE HB . 11195 1 85 . 1 1 13 13 ILE HD11 H 1 0.801 0.030 . 1 . . . . 13 ILE HD1 . 11195 1 86 . 1 1 13 13 ILE HD12 H 1 0.801 0.030 . 1 . . . . 13 ILE HD1 . 11195 1 87 . 1 1 13 13 ILE HD13 H 1 0.801 0.030 . 1 . . . . 13 ILE HD1 . 11195 1 88 . 1 1 13 13 ILE HG12 H 1 1.067 0.030 . 2 . . . . 13 ILE HG12 . 11195 1 89 . 1 1 13 13 ILE HG13 H 1 1.511 0.030 . 2 . . . . 13 ILE HG13 . 11195 1 90 . 1 1 13 13 ILE HG21 H 1 0.797 0.030 . 1 . . . . 13 ILE HG2 . 11195 1 91 . 1 1 13 13 ILE HG22 H 1 0.797 0.030 . 1 . . . . 13 ILE HG2 . 11195 1 92 . 1 1 13 13 ILE HG23 H 1 0.797 0.030 . 1 . . . . 13 ILE HG2 . 11195 1 93 . 1 1 13 13 ILE C C 13 175.360 0.300 . 1 . . . . 13 ILE C . 11195 1 94 . 1 1 13 13 ILE CA C 13 60.105 0.300 . 1 . . . . 13 ILE CA . 11195 1 95 . 1 1 13 13 ILE CB C 13 39.234 0.300 . 1 . . . . 13 ILE CB . 11195 1 96 . 1 1 13 13 ILE CD1 C 13 12.902 0.300 . 1 . . . . 13 ILE CD1 . 11195 1 97 . 1 1 13 13 ILE CG1 C 13 27.897 0.300 . 1 . . . . 13 ILE CG1 . 11195 1 98 . 1 1 13 13 ILE CG2 C 13 17.697 0.300 . 1 . . . . 13 ILE CG2 . 11195 1 99 . 1 1 13 13 ILE N N 15 125.600 0.300 . 1 . . . . 13 ILE N . 11195 1 100 . 1 1 14 14 ILE H H 1 9.075 0.030 . 1 . . . . 14 ILE H . 11195 1 101 . 1 1 14 14 ILE HA H 1 4.431 0.030 . 1 . . . . 14 ILE HA . 11195 1 102 . 1 1 14 14 ILE HB H 1 1.812 0.030 . 1 . . . . 14 ILE HB . 11195 1 103 . 1 1 14 14 ILE HD11 H 1 0.552 0.030 . 1 . . . . 14 ILE HD1 . 11195 1 104 . 1 1 14 14 ILE HD12 H 1 0.552 0.030 . 1 . . . . 14 ILE HD1 . 11195 1 105 . 1 1 14 14 ILE HD13 H 1 0.552 0.030 . 1 . . . . 14 ILE HD1 . 11195 1 106 . 1 1 14 14 ILE HG12 H 1 0.695 0.030 . 2 . . . . 14 ILE HG12 . 11195 1 107 . 1 1 14 14 ILE HG13 H 1 1.437 0.030 . 2 . . . . 14 ILE HG13 . 11195 1 108 . 1 1 14 14 ILE HG21 H 1 1.074 0.030 . 1 . . . . 14 ILE HG2 . 11195 1 109 . 1 1 14 14 ILE HG22 H 1 1.074 0.030 . 1 . . . . 14 ILE HG2 . 11195 1 110 . 1 1 14 14 ILE HG23 H 1 1.074 0.030 . 1 . . . . 14 ILE HG2 . 11195 1 111 . 1 1 14 14 ILE C C 13 174.939 0.300 . 1 . . . . 14 ILE C . 11195 1 112 . 1 1 14 14 ILE CA C 13 60.228 0.300 . 1 . . . . 14 ILE CA . 11195 1 113 . 1 1 14 14 ILE CB C 13 40.465 0.300 . 1 . . . . 14 ILE CB . 11195 1 114 . 1 1 14 14 ILE CD1 C 13 15.315 0.300 . 1 . . . . 14 ILE CD1 . 11195 1 115 . 1 1 14 14 ILE CG1 C 13 27.395 0.300 . 1 . . . . 14 ILE CG1 . 11195 1 116 . 1 1 14 14 ILE CG2 C 13 19.946 0.300 . 1 . . . . 14 ILE CG2 . 11195 1 117 . 1 1 14 14 ILE N N 15 125.832 0.300 . 1 . . . . 14 ILE N . 11195 1 118 . 1 1 15 15 GLN H H 1 8.818 0.030 . 1 . . . . 15 GLN H . 11195 1 119 . 1 1 15 15 GLN HA H 1 4.813 0.030 . 1 . . . . 15 GLN HA . 11195 1 120 . 1 1 15 15 GLN HB2 H 1 2.099 0.030 . 2 . . . . 15 GLN HB2 . 11195 1 121 . 1 1 15 15 GLN HB3 H 1 1.914 0.030 . 2 . . . . 15 GLN HB3 . 11195 1 122 . 1 1 15 15 GLN HE21 H 1 7.360 0.030 . 2 . . . . 15 GLN HE21 . 11195 1 123 . 1 1 15 15 GLN HE22 H 1 6.700 0.030 . 2 . . . . 15 GLN HE22 . 11195 1 124 . 1 1 15 15 GLN HG2 H 1 2.071 0.030 . 2 . . . . 15 GLN HG2 . 11195 1 125 . 1 1 15 15 GLN HG3 H 1 2.331 0.030 . 2 . . . . 15 GLN HG3 . 11195 1 126 . 1 1 15 15 GLN C C 13 175.325 0.300 . 1 . . . . 15 GLN C . 11195 1 127 . 1 1 15 15 GLN CA C 13 54.164 0.300 . 1 . . . . 15 GLN CA . 11195 1 128 . 1 1 15 15 GLN CB C 13 29.696 0.300 . 1 . . . . 15 GLN CB . 11195 1 129 . 1 1 15 15 GLN CG C 13 33.174 0.300 . 1 . . . . 15 GLN CG . 11195 1 130 . 1 1 15 15 GLN N N 15 127.271 0.300 . 1 . . . . 15 GLN N . 11195 1 131 . 1 1 15 15 GLN NE2 N 15 111.192 0.300 . 1 . . . . 15 GLN NE2 . 11195 1 132 . 1 1 16 16 LYS H H 1 8.136 0.030 . 1 . . . . 16 LYS H . 11195 1 133 . 1 1 16 16 LYS HA H 1 3.570 0.030 . 1 . . . . 16 LYS HA . 11195 1 134 . 1 1 16 16 LYS HB2 H 1 1.057 0.030 . 2 . . . . 16 LYS HB2 . 11195 1 135 . 1 1 16 16 LYS HB3 H 1 1.189 0.030 . 2 . . . . 16 LYS HB3 . 11195 1 136 . 1 1 16 16 LYS HD2 H 1 1.338 0.030 . 1 . . . . 16 LYS HD2 . 11195 1 137 . 1 1 16 16 LYS HD3 H 1 1.338 0.030 . 1 . . . . 16 LYS HD3 . 11195 1 138 . 1 1 16 16 LYS HE2 H 1 2.653 0.030 . 2 . . . . 16 LYS HE2 . 11195 1 139 . 1 1 16 16 LYS HE3 H 1 2.731 0.030 . 2 . . . . 16 LYS HE3 . 11195 1 140 . 1 1 16 16 LYS HG2 H 1 0.683 0.030 . 2 . . . . 16 LYS HG2 . 11195 1 141 . 1 1 16 16 LYS HG3 H 1 0.968 0.030 . 2 . . . . 16 LYS HG3 . 11195 1 142 . 1 1 16 16 LYS C C 13 176.554 0.300 . 1 . . . . 16 LYS C . 11195 1 143 . 1 1 16 16 LYS CA C 13 57.486 0.300 . 1 . . . . 16 LYS CA . 11195 1 144 . 1 1 16 16 LYS CB C 13 32.660 0.300 . 1 . . . . 16 LYS CB . 11195 1 145 . 1 1 16 16 LYS CD C 13 29.698 0.300 . 1 . . . . 16 LYS CD . 11195 1 146 . 1 1 16 16 LYS CE C 13 41.795 0.300 . 1 . . . . 16 LYS CE . 11195 1 147 . 1 1 16 16 LYS CG C 13 24.170 0.300 . 1 . . . . 16 LYS CG . 11195 1 148 . 1 1 16 16 LYS N N 15 123.728 0.300 . 1 . . . . 16 LYS N . 11195 1 149 . 1 1 17 17 ASP H H 1 7.798 0.030 . 1 . . . . 17 ASP H . 11195 1 150 . 1 1 17 17 ASP HA H 1 4.878 0.030 . 1 . . . . 17 ASP HA . 11195 1 151 . 1 1 17 17 ASP HB2 H 1 2.749 0.030 . 2 . . . . 17 ASP HB2 . 11195 1 152 . 1 1 17 17 ASP HB3 H 1 3.282 0.030 . 2 . . . . 17 ASP HB3 . 11195 1 153 . 1 1 17 17 ASP C C 13 177.993 0.300 . 1 . . . . 17 ASP C . 11195 1 154 . 1 1 17 17 ASP CA C 13 52.258 0.300 . 1 . . . . 17 ASP CA . 11195 1 155 . 1 1 17 17 ASP CB C 13 41.459 0.300 . 1 . . . . 17 ASP CB . 11195 1 156 . 1 1 17 17 ASP N N 15 123.449 0.300 . 1 . . . . 17 ASP N . 11195 1 157 . 1 1 18 18 GLN H H 1 8.704 0.030 . 1 . . . . 18 GLN H . 11195 1 158 . 1 1 18 18 GLN HA H 1 4.018 0.030 . 1 . . . . 18 GLN HA . 11195 1 159 . 1 1 18 18 GLN HB2 H 1 1.880 0.030 . 2 . . . . 18 GLN HB2 . 11195 1 160 . 1 1 18 18 GLN HB3 H 1 1.783 0.030 . 2 . . . . 18 GLN HB3 . 11195 1 161 . 1 1 18 18 GLN HE21 H 1 7.452 0.030 . 2 . . . . 18 GLN HE21 . 11195 1 162 . 1 1 18 18 GLN HE22 H 1 6.872 0.030 . 2 . . . . 18 GLN HE22 . 11195 1 163 . 1 1 18 18 GLN HG2 H 1 1.794 0.030 . 1 . . . . 18 GLN HG2 . 11195 1 164 . 1 1 18 18 GLN HG3 H 1 1.794 0.030 . 1 . . . . 18 GLN HG3 . 11195 1 165 . 1 1 18 18 GLN C C 13 176.448 0.300 . 1 . . . . 18 GLN C . 11195 1 166 . 1 1 18 18 GLN CA C 13 58.449 0.300 . 1 . . . . 18 GLN CA . 11195 1 167 . 1 1 18 18 GLN CB C 13 27.620 0.300 . 1 . . . . 18 GLN CB . 11195 1 168 . 1 1 18 18 GLN CG C 13 32.457 0.300 . 1 . . . . 18 GLN CG . 11195 1 169 . 1 1 18 18 GLN NE2 N 15 112.328 0.300 . 1 . . . . 18 GLN NE2 . 11195 1 170 . 1 1 19 19 HIS H H 1 8.729 0.030 . 1 . . . . 19 HIS H . 11195 1 171 . 1 1 19 19 HIS HA H 1 4.783 0.030 . 1 . . . . 19 HIS HA . 11195 1 172 . 1 1 19 19 HIS HB2 H 1 3.036 0.030 . 2 . . . . 19 HIS HB2 . 11195 1 173 . 1 1 19 19 HIS HB3 H 1 3.246 0.030 . 2 . . . . 19 HIS HB3 . 11195 1 174 . 1 1 19 19 HIS HD2 H 1 7.040 0.030 . 1 . . . . 19 HIS HD2 . 11195 1 175 . 1 1 19 19 HIS HE1 H 1 7.726 0.030 . 1 . . . . 19 HIS HE1 . 11195 1 176 . 1 1 19 19 HIS C C 13 175.852 0.300 . 1 . . . . 19 HIS C . 11195 1 177 . 1 1 19 19 HIS CA C 13 55.597 0.300 . 1 . . . . 19 HIS CA . 11195 1 178 . 1 1 19 19 HIS CB C 13 30.349 0.300 . 1 . . . . 19 HIS CB . 11195 1 179 . 1 1 19 19 HIS CD2 C 13 119.729 0.300 . 1 . . . . 19 HIS CD2 . 11195 1 180 . 1 1 19 19 HIS CE1 C 13 138.184 0.300 . 1 . . . . 19 HIS CE1 . 11195 1 181 . 1 1 19 19 HIS N N 15 118.533 0.300 . 1 . . . . 19 HIS N . 11195 1 182 . 1 1 20 20 GLY H H 1 7.985 0.030 . 1 . . . . 20 GLY H . 11195 1 183 . 1 1 20 20 GLY HA2 H 1 3.384 0.030 . 2 . . . . 20 GLY HA2 . 11195 1 184 . 1 1 20 20 GLY HA3 H 1 4.556 0.030 . 2 . . . . 20 GLY HA3 . 11195 1 185 . 1 1 20 20 GLY C C 13 174.605 0.300 . 1 . . . . 20 GLY C . 11195 1 186 . 1 1 20 20 GLY CA C 13 44.882 0.300 . 1 . . . . 20 GLY CA . 11195 1 187 . 1 1 20 20 GLY N N 15 109.043 0.300 . 1 . . . . 20 GLY N . 11195 1 188 . 1 1 21 21 PHE HA H 1 4.574 0.030 . 1 . . . . 21 PHE HA . 11195 1 189 . 1 1 21 21 PHE HB2 H 1 2.902 0.030 . 2 . . . . 21 PHE HB2 . 11195 1 190 . 1 1 21 21 PHE HB3 H 1 3.402 0.030 . 2 . . . . 21 PHE HB3 . 11195 1 191 . 1 1 21 21 PHE HD1 H 1 7.091 0.030 . 1 . . . . 21 PHE HD1 . 11195 1 192 . 1 1 21 21 PHE HD2 H 1 7.091 0.030 . 1 . . . . 21 PHE HD2 . 11195 1 193 . 1 1 21 21 PHE HE1 H 1 7.420 0.030 . 1 . . . . 21 PHE HE1 . 11195 1 194 . 1 1 21 21 PHE HE2 H 1 7.420 0.030 . 1 . . . . 21 PHE HE2 . 11195 1 195 . 1 1 21 21 PHE HZ H 1 7.214 0.030 . 1 . . . . 21 PHE HZ . 11195 1 196 . 1 1 21 21 PHE C C 13 177.098 0.300 . 1 . . . . 21 PHE C . 11195 1 197 . 1 1 21 21 PHE CA C 13 60.450 0.300 . 1 . . . . 21 PHE CA . 11195 1 198 . 1 1 21 21 PHE CB C 13 40.494 0.300 . 1 . . . . 21 PHE CB . 11195 1 199 . 1 1 21 21 PHE CD1 C 13 130.279 0.300 . 1 . . . . 21 PHE CD1 . 11195 1 200 . 1 1 21 21 PHE CD2 C 13 130.279 0.300 . 1 . . . . 21 PHE CD2 . 11195 1 201 . 1 1 21 21 PHE CE1 C 13 132.679 0.300 . 1 . . . . 21 PHE CE1 . 11195 1 202 . 1 1 21 21 PHE CE2 C 13 132.679 0.300 . 1 . . . . 21 PHE CE2 . 11195 1 203 . 1 1 21 21 PHE CZ C 13 130.156 0.300 . 1 . . . . 21 PHE CZ . 11195 1 204 . 1 1 22 22 GLY H H 1 8.874 0.030 . 1 . . . . 22 GLY H . 11195 1 205 . 1 1 22 22 GLY HA2 H 1 4.019 0.030 . 2 . . . . 22 GLY HA2 . 11195 1 206 . 1 1 22 22 GLY HA3 H 1 4.233 0.030 . 2 . . . . 22 GLY HA3 . 11195 1 207 . 1 1 22 22 GLY C C 13 175.641 0.300 . 1 . . . . 22 GLY C . 11195 1 208 . 1 1 22 22 GLY CA C 13 47.085 0.300 . 1 . . . . 22 GLY CA . 11195 1 209 . 1 1 22 22 GLY N N 15 104.990 0.300 . 1 . . . . 22 GLY N . 11195 1 210 . 1 1 23 23 PHE H H 1 7.580 0.030 . 1 . . . . 23 PHE H . 11195 1 211 . 1 1 23 23 PHE HA H 1 5.578 0.030 . 1 . . . . 23 PHE HA . 11195 1 212 . 1 1 23 23 PHE HB2 H 1 3.339 0.030 . 2 . . . . 23 PHE HB2 . 11195 1 213 . 1 1 23 23 PHE HB3 H 1 3.056 0.030 . 2 . . . . 23 PHE HB3 . 11195 1 214 . 1 1 23 23 PHE HD1 H 1 7.028 0.030 . 1 . . . . 23 PHE HD1 . 11195 1 215 . 1 1 23 23 PHE HD2 H 1 7.028 0.030 . 1 . . . . 23 PHE HD2 . 11195 1 216 . 1 1 23 23 PHE HE1 H 1 6.841 0.030 . 1 . . . . 23 PHE HE1 . 11195 1 217 . 1 1 23 23 PHE HE2 H 1 6.841 0.030 . 1 . . . . 23 PHE HE2 . 11195 1 218 . 1 1 23 23 PHE HZ H 1 6.832 0.030 . 1 . . . . 23 PHE HZ . 11195 1 219 . 1 1 23 23 PHE C C 13 172.727 0.300 . 1 . . . . 23 PHE C . 11195 1 220 . 1 1 23 23 PHE CA C 13 56.282 0.300 . 1 . . . . 23 PHE CA . 11195 1 221 . 1 1 23 23 PHE CB C 13 40.487 0.300 . 1 . . . . 23 PHE CB . 11195 1 222 . 1 1 23 23 PHE CD1 C 13 131.776 0.300 . 1 . . . . 23 PHE CD1 . 11195 1 223 . 1 1 23 23 PHE CD2 C 13 131.776 0.300 . 1 . . . . 23 PHE CD2 . 11195 1 224 . 1 1 23 23 PHE CE1 C 13 129.984 0.300 . 1 . . . . 23 PHE CE1 . 11195 1 225 . 1 1 23 23 PHE CE2 C 13 129.984 0.300 . 1 . . . . 23 PHE CE2 . 11195 1 226 . 1 1 23 23 PHE CZ C 13 128.871 0.300 . 1 . . . . 23 PHE CZ . 11195 1 227 . 1 1 23 23 PHE N N 15 116.155 0.300 . 1 . . . . 23 PHE N . 11195 1 228 . 1 1 24 24 THR H H 1 8.604 0.030 . 1 . . . . 24 THR H . 11195 1 229 . 1 1 24 24 THR HA H 1 4.735 0.030 . 1 . . . . 24 THR HA . 11195 1 230 . 1 1 24 24 THR HB H 1 4.403 0.030 . 1 . . . . 24 THR HB . 11195 1 231 . 1 1 24 24 THR HG21 H 1 1.132 0.030 . 1 . . . . 24 THR HG2 . 11195 1 232 . 1 1 24 24 THR HG22 H 1 1.132 0.030 . 1 . . . . 24 THR HG2 . 11195 1 233 . 1 1 24 24 THR HG23 H 1 1.132 0.030 . 1 . . . . 24 THR HG2 . 11195 1 234 . 1 1 24 24 THR C C 13 174.658 0.300 . 1 . . . . 24 THR C . 11195 1 235 . 1 1 24 24 THR CA C 13 59.502 0.300 . 1 . . . . 24 THR CA . 11195 1 236 . 1 1 24 24 THR CB C 13 72.067 0.300 . 1 . . . . 24 THR CB . 11195 1 237 . 1 1 24 24 THR CG2 C 13 21.638 0.300 . 1 . . . . 24 THR CG2 . 11195 1 238 . 1 1 24 24 THR N N 15 111.300 0.300 . 1 . . . . 24 THR N . 11195 1 239 . 1 1 25 25 VAL H H 1 8.807 0.030 . 1 . . . . 25 VAL H . 11195 1 240 . 1 1 25 25 VAL HA H 1 5.606 0.030 . 1 . . . . 25 VAL HA . 11195 1 241 . 1 1 25 25 VAL HB H 1 2.153 0.030 . 1 . . . . 25 VAL HB . 11195 1 242 . 1 1 25 25 VAL HG11 H 1 0.877 0.030 . 1 . . . . 25 VAL HG1 . 11195 1 243 . 1 1 25 25 VAL HG12 H 1 0.877 0.030 . 1 . . . . 25 VAL HG1 . 11195 1 244 . 1 1 25 25 VAL HG13 H 1 0.877 0.030 . 1 . . . . 25 VAL HG1 . 11195 1 245 . 1 1 25 25 VAL HG21 H 1 0.799 0.030 . 1 . . . . 25 VAL HG2 . 11195 1 246 . 1 1 25 25 VAL HG22 H 1 0.799 0.030 . 1 . . . . 25 VAL HG2 . 11195 1 247 . 1 1 25 25 VAL HG23 H 1 0.799 0.030 . 1 . . . . 25 VAL HG2 . 11195 1 248 . 1 1 25 25 VAL C C 13 174.570 0.300 . 1 . . . . 25 VAL C . 11195 1 249 . 1 1 25 25 VAL CA C 13 58.966 0.300 . 1 . . . . 25 VAL CA . 11195 1 250 . 1 1 25 25 VAL CB C 13 35.493 0.300 . 1 . . . . 25 VAL CB . 11195 1 251 . 1 1 25 25 VAL CG1 C 13 23.426 0.300 . 2 . . . . 25 VAL CG1 . 11195 1 252 . 1 1 25 25 VAL CG2 C 13 19.040 0.300 . 2 . . . . 25 VAL CG2 . 11195 1 253 . 1 1 25 25 VAL N N 15 114.379 0.300 . 1 . . . . 25 VAL N . 11195 1 254 . 1 1 26 26 SER H H 1 9.162 0.030 . 1 . . . . 26 SER H . 11195 1 255 . 1 1 26 26 SER HA H 1 4.357 0.030 . 1 . . . . 26 SER HA . 11195 1 256 . 1 1 26 26 SER HB2 H 1 3.783 0.030 . 2 . . . . 26 SER HB2 . 11195 1 257 . 1 1 26 26 SER HB3 H 1 3.575 0.030 . 2 . . . . 26 SER HB3 . 11195 1 258 . 1 1 26 26 SER C C 13 172.955 0.300 . 1 . . . . 26 SER C . 11195 1 259 . 1 1 26 26 SER CA C 13 57.229 0.300 . 1 . . . . 26 SER CA . 11195 1 260 . 1 1 26 26 SER CB C 13 65.597 0.300 . 1 . . . . 26 SER CB . 11195 1 261 . 1 1 26 26 SER N N 15 115.449 0.300 . 1 . . . . 26 SER N . 11195 1 262 . 1 1 27 27 GLY H H 1 8.223 0.030 . 1 . . . . 27 GLY H . 11195 1 263 . 1 1 27 27 GLY HA2 H 1 5.034 0.030 . 2 . . . . 27 GLY HA2 . 11195 1 264 . 1 1 27 27 GLY HA3 H 1 3.715 0.030 . 2 . . . . 27 GLY HA3 . 11195 1 265 . 1 1 27 27 GLY C C 13 172.990 0.300 . 1 . . . . 27 GLY C . 11195 1 266 . 1 1 27 27 GLY CA C 13 44.757 0.300 . 1 . . . . 27 GLY CA . 11195 1 267 . 1 1 27 27 GLY N N 15 109.398 0.300 . 1 . . . . 27 GLY N . 11195 1 268 . 1 1 28 28 ASP H H 1 8.077 0.030 . 1 . . . . 28 ASP H . 11195 1 269 . 1 1 28 28 ASP HA H 1 4.886 0.030 . 1 . . . . 28 ASP HA . 11195 1 270 . 1 1 28 28 ASP HB2 H 1 2.674 0.030 . 2 . . . . 28 ASP HB2 . 11195 1 271 . 1 1 28 28 ASP HB3 H 1 2.751 0.030 . 2 . . . . 28 ASP HB3 . 11195 1 272 . 1 1 28 28 ASP C C 13 176.115 0.300 . 1 . . . . 28 ASP C . 11195 1 273 . 1 1 28 28 ASP CA C 13 54.435 0.300 . 1 . . . . 28 ASP CA . 11195 1 274 . 1 1 28 28 ASP CB C 13 42.145 0.300 . 1 . . . . 28 ASP CB . 11195 1 275 . 1 1 28 28 ASP N N 15 119.747 0.300 . 1 . . . . 28 ASP N . 11195 1 276 . 1 1 29 29 ARG H H 1 8.492 0.030 . 1 . . . . 29 ARG H . 11195 1 277 . 1 1 29 29 ARG HA H 1 4.017 0.030 . 1 . . . . 29 ARG HA . 11195 1 278 . 1 1 29 29 ARG HB2 H 1 1.944 0.030 . 2 . . . . 29 ARG HB2 . 11195 1 279 . 1 1 29 29 ARG HB3 H 1 2.077 0.030 . 2 . . . . 29 ARG HB3 . 11195 1 280 . 1 1 29 29 ARG HD2 H 1 3.238 0.030 . 1 . . . . 29 ARG HD2 . 11195 1 281 . 1 1 29 29 ARG HD3 H 1 3.238 0.030 . 1 . . . . 29 ARG HD3 . 11195 1 282 . 1 1 29 29 ARG HG2 H 1 1.496 0.030 . 2 . . . . 29 ARG HG2 . 11195 1 283 . 1 1 29 29 ARG HG3 H 1 1.624 0.030 . 2 . . . . 29 ARG HG3 . 11195 1 284 . 1 1 29 29 ARG C C 13 176.185 0.300 . 1 . . . . 29 ARG C . 11195 1 285 . 1 1 29 29 ARG CA C 13 59.792 0.300 . 1 . . . . 29 ARG CA . 11195 1 286 . 1 1 29 29 ARG CB C 13 29.927 0.300 . 1 . . . . 29 ARG CB . 11195 1 287 . 1 1 29 29 ARG CD C 13 43.144 0.300 . 1 . . . . 29 ARG CD . 11195 1 288 . 1 1 29 29 ARG CG C 13 27.796 0.300 . 1 . . . . 29 ARG CG . 11195 1 289 . 1 1 29 29 ARG N N 15 118.833 0.300 . 1 . . . . 29 ARG N . 11195 1 290 . 1 1 30 30 ILE H H 1 8.172 0.030 . 1 . . . . 30 ILE H . 11195 1 291 . 1 1 30 30 ILE HA H 1 4.025 0.030 . 1 . . . . 30 ILE HA . 11195 1 292 . 1 1 30 30 ILE HB H 1 1.811 0.030 . 1 . . . . 30 ILE HB . 11195 1 293 . 1 1 30 30 ILE HD11 H 1 0.872 0.030 . 1 . . . . 30 ILE HD1 . 11195 1 294 . 1 1 30 30 ILE HD12 H 1 0.872 0.030 . 1 . . . . 30 ILE HD1 . 11195 1 295 . 1 1 30 30 ILE HD13 H 1 0.872 0.030 . 1 . . . . 30 ILE HD1 . 11195 1 296 . 1 1 30 30 ILE HG12 H 1 1.514 0.030 . 2 . . . . 30 ILE HG12 . 11195 1 297 . 1 1 30 30 ILE HG13 H 1 1.061 0.030 . 2 . . . . 30 ILE HG13 . 11195 1 298 . 1 1 30 30 ILE HG21 H 1 0.789 0.030 . 1 . . . . 30 ILE HG2 . 11195 1 299 . 1 1 30 30 ILE HG22 H 1 0.789 0.030 . 1 . . . . 30 ILE HG2 . 11195 1 300 . 1 1 30 30 ILE HG23 H 1 0.789 0.030 . 1 . . . . 30 ILE HG2 . 11195 1 301 . 1 1 30 30 ILE C C 13 174.412 0.300 . 1 . . . . 30 ILE C . 11195 1 302 . 1 1 30 30 ILE CA C 13 60.751 0.300 . 1 . . . . 30 ILE CA . 11195 1 303 . 1 1 30 30 ILE CB C 13 38.244 0.300 . 1 . . . . 30 ILE CB . 11195 1 304 . 1 1 30 30 ILE CD1 C 13 12.838 0.300 . 1 . . . . 30 ILE CD1 . 11195 1 305 . 1 1 30 30 ILE CG1 C 13 27.232 0.300 . 1 . . . . 30 ILE CG1 . 11195 1 306 . 1 1 30 30 ILE CG2 C 13 17.162 0.300 . 1 . . . . 30 ILE CG2 . 11195 1 307 . 1 1 30 30 ILE N N 15 121.119 0.300 . 1 . . . . 30 ILE N . 11195 1 308 . 1 1 31 31 VAL H H 1 8.415 0.030 . 1 . . . . 31 VAL H . 11195 1 309 . 1 1 31 31 VAL HA H 1 4.444 0.030 . 1 . . . . 31 VAL HA . 11195 1 310 . 1 1 31 31 VAL HB H 1 2.120 0.030 . 1 . . . . 31 VAL HB . 11195 1 311 . 1 1 31 31 VAL HG11 H 1 0.858 0.030 . 1 . . . . 31 VAL HG1 . 11195 1 312 . 1 1 31 31 VAL HG12 H 1 0.858 0.030 . 1 . . . . 31 VAL HG1 . 11195 1 313 . 1 1 31 31 VAL HG13 H 1 0.858 0.030 . 1 . . . . 31 VAL HG1 . 11195 1 314 . 1 1 31 31 VAL HG21 H 1 0.806 0.030 . 1 . . . . 31 VAL HG2 . 11195 1 315 . 1 1 31 31 VAL HG22 H 1 0.806 0.030 . 1 . . . . 31 VAL HG2 . 11195 1 316 . 1 1 31 31 VAL HG23 H 1 0.806 0.030 . 1 . . . . 31 VAL HG2 . 11195 1 317 . 1 1 31 31 VAL C C 13 174.500 0.300 . 1 . . . . 31 VAL C . 11195 1 318 . 1 1 31 31 VAL CA C 13 62.217 0.300 . 1 . . . . 31 VAL CA . 11195 1 319 . 1 1 31 31 VAL CB C 13 31.395 0.300 . 1 . . . . 31 VAL CB . 11195 1 320 . 1 1 31 31 VAL CG1 C 13 22.136 0.300 . 2 . . . . 31 VAL CG1 . 11195 1 321 . 1 1 31 31 VAL CG2 C 13 20.938 0.300 . 2 . . . . 31 VAL CG2 . 11195 1 322 . 1 1 31 31 VAL N N 15 127.915 0.300 . 1 . . . . 31 VAL N . 11195 1 323 . 1 1 32 32 LEU H H 1 8.745 0.030 . 1 . . . . 32 LEU H . 11195 1 324 . 1 1 32 32 LEU HA H 1 5.326 0.030 . 1 . . . . 32 LEU HA . 11195 1 325 . 1 1 32 32 LEU HB2 H 1 1.581 0.030 . 2 . . . . 32 LEU HB2 . 11195 1 326 . 1 1 32 32 LEU HB3 H 1 1.150 0.030 . 2 . . . . 32 LEU HB3 . 11195 1 327 . 1 1 32 32 LEU HD11 H 1 0.831 0.030 . 1 . . . . 32 LEU HD1 . 11195 1 328 . 1 1 32 32 LEU HD12 H 1 0.831 0.030 . 1 . . . . 32 LEU HD1 . 11195 1 329 . 1 1 32 32 LEU HD13 H 1 0.831 0.030 . 1 . . . . 32 LEU HD1 . 11195 1 330 . 1 1 32 32 LEU HD21 H 1 0.735 0.030 . 1 . . . . 32 LEU HD2 . 11195 1 331 . 1 1 32 32 LEU HD22 H 1 0.735 0.030 . 1 . . . . 32 LEU HD2 . 11195 1 332 . 1 1 32 32 LEU HD23 H 1 0.735 0.030 . 1 . . . . 32 LEU HD2 . 11195 1 333 . 1 1 32 32 LEU HG H 1 1.572 0.030 . 1 . . . . 32 LEU HG . 11195 1 334 . 1 1 32 32 LEU C C 13 177.537 0.300 . 1 . . . . 32 LEU C . 11195 1 335 . 1 1 32 32 LEU CA C 13 52.294 0.300 . 1 . . . . 32 LEU CA . 11195 1 336 . 1 1 32 32 LEU CB C 13 45.645 0.300 . 1 . . . . 32 LEU CB . 11195 1 337 . 1 1 32 32 LEU CD1 C 13 25.343 0.300 . 2 . . . . 32 LEU CD1 . 11195 1 338 . 1 1 32 32 LEU CD2 C 13 23.503 0.300 . 2 . . . . 32 LEU CD2 . 11195 1 339 . 1 1 32 32 LEU CG C 13 26.732 0.300 . 1 . . . . 32 LEU CG . 11195 1 340 . 1 1 32 32 LEU N N 15 126.244 0.300 . 1 . . . . 32 LEU N . 11195 1 341 . 1 1 33 33 VAL H H 1 8.829 0.030 . 1 . . . . 33 VAL H . 11195 1 342 . 1 1 33 33 VAL HA H 1 4.198 0.030 . 1 . . . . 33 VAL HA . 11195 1 343 . 1 1 33 33 VAL HB H 1 2.263 0.030 . 1 . . . . 33 VAL HB . 11195 1 344 . 1 1 33 33 VAL HG11 H 1 0.798 0.030 . 1 . . . . 33 VAL HG1 . 11195 1 345 . 1 1 33 33 VAL HG12 H 1 0.798 0.030 . 1 . . . . 33 VAL HG1 . 11195 1 346 . 1 1 33 33 VAL HG13 H 1 0.798 0.030 . 1 . . . . 33 VAL HG1 . 11195 1 347 . 1 1 33 33 VAL HG21 H 1 0.749 0.030 . 1 . . . . 33 VAL HG2 . 11195 1 348 . 1 1 33 33 VAL HG22 H 1 0.749 0.030 . 1 . . . . 33 VAL HG2 . 11195 1 349 . 1 1 33 33 VAL HG23 H 1 0.749 0.030 . 1 . . . . 33 VAL HG2 . 11195 1 350 . 1 1 33 33 VAL C C 13 175.816 0.300 . 1 . . . . 33 VAL C . 11195 1 351 . 1 1 33 33 VAL CA C 13 63.694 0.300 . 1 . . . . 33 VAL CA . 11195 1 352 . 1 1 33 33 VAL CB C 13 30.935 0.300 . 1 . . . . 33 VAL CB . 11195 1 353 . 1 1 33 33 VAL CG1 C 13 23.159 0.300 . 2 . . . . 33 VAL CG1 . 11195 1 354 . 1 1 33 33 VAL CG2 C 13 21.153 0.300 . 2 . . . . 33 VAL CG2 . 11195 1 355 . 1 1 33 33 VAL N N 15 119.411 0.300 . 1 . . . . 33 VAL N . 11195 1 356 . 1 1 34 34 GLN H H 1 9.215 0.030 . 1 . . . . 34 GLN H . 11195 1 357 . 1 1 34 34 GLN HA H 1 4.261 0.030 . 1 . . . . 34 GLN HA . 11195 1 358 . 1 1 34 34 GLN HB2 H 1 1.819 0.030 . 2 . . . . 34 GLN HB2 . 11195 1 359 . 1 1 34 34 GLN HB3 H 1 1.909 0.030 . 2 . . . . 34 GLN HB3 . 11195 1 360 . 1 1 34 34 GLN HE21 H 1 7.513 0.030 . 2 . . . . 34 GLN HE21 . 11195 1 361 . 1 1 34 34 GLN HE22 H 1 6.876 0.030 . 2 . . . . 34 GLN HE22 . 11195 1 362 . 1 1 34 34 GLN HG2 H 1 2.228 0.030 . 2 . . . . 34 GLN HG2 . 11195 1 363 . 1 1 34 34 GLN HG3 H 1 2.271 0.030 . 2 . . . . 34 GLN HG3 . 11195 1 364 . 1 1 34 34 GLN C C 13 174.623 0.300 . 1 . . . . 34 GLN C . 11195 1 365 . 1 1 34 34 GLN CA C 13 56.568 0.300 . 1 . . . . 34 GLN CA . 11195 1 366 . 1 1 34 34 GLN CB C 13 29.666 0.300 . 1 . . . . 34 GLN CB . 11195 1 367 . 1 1 34 34 GLN CG C 13 33.527 0.300 . 1 . . . . 34 GLN CG . 11195 1 368 . 1 1 34 34 GLN N N 15 134.147 0.300 . 1 . . . . 34 GLN N . 11195 1 369 . 1 1 34 34 GLN NE2 N 15 112.971 0.300 . 1 . . . . 34 GLN NE2 . 11195 1 370 . 1 1 35 35 SER H H 1 7.508 0.030 . 1 . . . . 35 SER H . 11195 1 371 . 1 1 35 35 SER HA H 1 4.796 0.030 . 1 . . . . 35 SER HA . 11195 1 372 . 1 1 35 35 SER HB2 H 1 3.767 0.030 . 1 . . . . 35 SER HB2 . 11195 1 373 . 1 1 35 35 SER HB3 H 1 3.767 0.030 . 1 . . . . 35 SER HB3 . 11195 1 374 . 1 1 35 35 SER C C 13 172.183 0.300 . 1 . . . . 35 SER C . 11195 1 375 . 1 1 35 35 SER CA C 13 56.880 0.300 . 1 . . . . 35 SER CA . 11195 1 376 . 1 1 35 35 SER CB C 13 65.958 0.300 . 1 . . . . 35 SER CB . 11195 1 377 . 1 1 35 35 SER N N 15 110.941 0.300 . 1 . . . . 35 SER N . 11195 1 378 . 1 1 36 36 VAL H H 1 8.804 0.030 . 1 . . . . 36 VAL H . 11195 1 379 . 1 1 36 36 VAL HA H 1 4.554 0.030 . 1 . . . . 36 VAL HA . 11195 1 380 . 1 1 36 36 VAL HB H 1 1.916 0.030 . 1 . . . . 36 VAL HB . 11195 1 381 . 1 1 36 36 VAL HG11 H 1 0.889 0.030 . 1 . . . . 36 VAL HG1 . 11195 1 382 . 1 1 36 36 VAL HG12 H 1 0.889 0.030 . 1 . . . . 36 VAL HG1 . 11195 1 383 . 1 1 36 36 VAL HG13 H 1 0.889 0.030 . 1 . . . . 36 VAL HG1 . 11195 1 384 . 1 1 36 36 VAL HG21 H 1 0.701 0.030 . 1 . . . . 36 VAL HG2 . 11195 1 385 . 1 1 36 36 VAL HG22 H 1 0.701 0.030 . 1 . . . . 36 VAL HG2 . 11195 1 386 . 1 1 36 36 VAL HG23 H 1 0.701 0.030 . 1 . . . . 36 VAL HG2 . 11195 1 387 . 1 1 36 36 VAL C C 13 175.079 0.300 . 1 . . . . 36 VAL C . 11195 1 388 . 1 1 36 36 VAL CA C 13 61.244 0.300 . 1 . . . . 36 VAL CA . 11195 1 389 . 1 1 36 36 VAL CB C 13 34.626 0.300 . 1 . . . . 36 VAL CB . 11195 1 390 . 1 1 36 36 VAL CG1 C 13 22.144 0.300 . 2 . . . . 36 VAL CG1 . 11195 1 391 . 1 1 36 36 VAL CG2 C 13 22.314 0.300 . 2 . . . . 36 VAL CG2 . 11195 1 392 . 1 1 36 36 VAL N N 15 120.864 0.300 . 1 . . . . 36 VAL N . 11195 1 393 . 1 1 37 37 ARG H H 1 8.020 0.030 . 1 . . . . 37 ARG H . 11195 1 394 . 1 1 37 37 ARG HA H 1 4.541 0.030 . 1 . . . . 37 ARG HA . 11195 1 395 . 1 1 37 37 ARG HB2 H 1 1.694 0.030 . 2 . . . . 37 ARG HB2 . 11195 1 396 . 1 1 37 37 ARG HB3 H 1 1.830 0.030 . 2 . . . . 37 ARG HB3 . 11195 1 397 . 1 1 37 37 ARG HD2 H 1 3.026 0.030 . 2 . . . . 37 ARG HD2 . 11195 1 398 . 1 1 37 37 ARG HD3 H 1 3.209 0.030 . 2 . . . . 37 ARG HD3 . 11195 1 399 . 1 1 37 37 ARG HG2 H 1 1.502 0.030 . 2 . . . . 37 ARG HG2 . 11195 1 400 . 1 1 37 37 ARG HG3 H 1 1.635 0.030 . 2 . . . . 37 ARG HG3 . 11195 1 401 . 1 1 37 37 ARG C C 13 175.623 0.300 . 1 . . . . 37 ARG C . 11195 1 402 . 1 1 37 37 ARG CA C 13 54.395 0.300 . 1 . . . . 37 ARG CA . 11195 1 403 . 1 1 37 37 ARG CB C 13 31.519 0.300 . 1 . . . . 37 ARG CB . 11195 1 404 . 1 1 37 37 ARG CD C 13 43.193 0.300 . 1 . . . . 37 ARG CD . 11195 1 405 . 1 1 37 37 ARG CG C 13 26.610 0.300 . 1 . . . . 37 ARG CG . 11195 1 406 . 1 1 37 37 ARG N N 15 129.516 0.300 . 1 . . . . 37 ARG N . 11195 1 407 . 1 1 38 38 PRO HA H 1 4.484 0.030 . 1 . . . . 38 PRO HA . 11195 1 408 . 1 1 38 38 PRO HB2 H 1 1.960 0.030 . 2 . . . . 38 PRO HB2 . 11195 1 409 . 1 1 38 38 PRO HB3 H 1 2.361 0.030 . 2 . . . . 38 PRO HB3 . 11195 1 410 . 1 1 38 38 PRO HD2 H 1 3.647 0.030 . 2 . . . . 38 PRO HD2 . 11195 1 411 . 1 1 38 38 PRO HD3 H 1 4.279 0.030 . 2 . . . . 38 PRO HD3 . 11195 1 412 . 1 1 38 38 PRO HG2 H 1 2.196 0.030 . 2 . . . . 38 PRO HG2 . 11195 1 413 . 1 1 38 38 PRO HG3 H 1 2.016 0.030 . 2 . . . . 38 PRO HG3 . 11195 1 414 . 1 1 38 38 PRO C C 13 177.923 0.300 . 1 . . . . 38 PRO C . 11195 1 415 . 1 1 38 38 PRO CA C 13 64.290 0.300 . 1 . . . . 38 PRO CA . 11195 1 416 . 1 1 38 38 PRO CB C 13 31.450 0.300 . 1 . . . . 38 PRO CB . 11195 1 417 . 1 1 38 38 PRO CD C 13 51.846 0.300 . 1 . . . . 38 PRO CD . 11195 1 418 . 1 1 38 38 PRO CG C 13 27.858 0.300 . 1 . . . . 38 PRO CG . 11195 1 419 . 1 1 39 39 GLY H H 1 8.530 0.030 . 1 . . . . 39 GLY H . 11195 1 420 . 1 1 39 39 GLY HA2 H 1 4.163 0.030 . 2 . . . . 39 GLY HA2 . 11195 1 421 . 1 1 39 39 GLY HA3 H 1 3.910 0.030 . 2 . . . . 39 GLY HA3 . 11195 1 422 . 1 1 39 39 GLY C C 13 174.395 0.300 . 1 . . . . 39 GLY C . 11195 1 423 . 1 1 39 39 GLY CA C 13 45.682 0.300 . 1 . . . . 39 GLY CA . 11195 1 424 . 1 1 39 39 GLY N N 15 115.004 0.300 . 1 . . . . 39 GLY N . 11195 1 425 . 1 1 40 40 GLY H H 1 7.874 0.030 . 1 . . . . 40 GLY H . 11195 1 426 . 1 1 40 40 GLY HA2 H 1 3.995 0.030 . 2 . . . . 40 GLY HA2 . 11195 1 427 . 1 1 40 40 GLY HA3 H 1 4.520 0.030 . 2 . . . . 40 GLY HA3 . 11195 1 428 . 1 1 40 40 GLY C C 13 173.763 0.300 . 1 . . . . 40 GLY C . 11195 1 429 . 1 1 40 40 GLY CA C 13 44.618 0.300 . 1 . . . . 40 GLY CA . 11195 1 430 . 1 1 40 40 GLY N N 15 106.183 0.300 . 1 . . . . 40 GLY N . 11195 1 431 . 1 1 41 41 ALA H H 1 8.853 0.030 . 1 . . . . 41 ALA H . 11195 1 432 . 1 1 41 41 ALA HA H 1 4.063 0.030 . 1 . . . . 41 ALA HA . 11195 1 433 . 1 1 41 41 ALA HB1 H 1 1.609 0.030 . 1 . . . . 41 ALA HB . 11195 1 434 . 1 1 41 41 ALA HB2 H 1 1.609 0.030 . 1 . . . . 41 ALA HB . 11195 1 435 . 1 1 41 41 ALA HB3 H 1 1.609 0.030 . 1 . . . . 41 ALA HB . 11195 1 436 . 1 1 41 41 ALA C C 13 180.977 0.300 . 1 . . . . 41 ALA C . 11195 1 437 . 1 1 41 41 ALA CA C 13 55.697 0.300 . 1 . . . . 41 ALA CA . 11195 1 438 . 1 1 41 41 ALA CB C 13 19.068 0.300 . 1 . . . . 41 ALA CB . 11195 1 439 . 1 1 41 41 ALA N N 15 120.480 0.300 . 1 . . . . 41 ALA N . 11195 1 440 . 1 1 42 42 ALA H H 1 7.842 0.030 . 1 . . . . 42 ALA H . 11195 1 441 . 1 1 42 42 ALA HA H 1 4.012 0.030 . 1 . . . . 42 ALA HA . 11195 1 442 . 1 1 42 42 ALA HB1 H 1 1.440 0.030 . 1 . . . . 42 ALA HB . 11195 1 443 . 1 1 42 42 ALA HB2 H 1 1.440 0.030 . 1 . . . . 42 ALA HB . 11195 1 444 . 1 1 42 42 ALA HB3 H 1 1.440 0.030 . 1 . . . . 42 ALA HB . 11195 1 445 . 1 1 42 42 ALA C C 13 178.695 0.300 . 1 . . . . 42 ALA C . 11195 1 446 . 1 1 42 42 ALA CA C 13 55.099 0.300 . 1 . . . . 42 ALA CA . 11195 1 447 . 1 1 42 42 ALA CB C 13 17.984 0.300 . 1 . . . . 42 ALA CB . 11195 1 448 . 1 1 42 42 ALA N N 15 120.475 0.300 . 1 . . . . 42 ALA N . 11195 1 449 . 1 1 43 43 MET H H 1 9.085 0.030 . 1 . . . . 43 MET H . 11195 1 450 . 1 1 43 43 MET HA H 1 4.025 0.030 . 1 . . . . 43 MET HA . 11195 1 451 . 1 1 43 43 MET HB2 H 1 2.090 0.030 . 2 . . . . 43 MET HB2 . 11195 1 452 . 1 1 43 43 MET HB3 H 1 2.212 0.030 . 2 . . . . 43 MET HB3 . 11195 1 453 . 1 1 43 43 MET HE1 H 1 2.159 0.030 . 1 . . . . 43 MET HE . 11195 1 454 . 1 1 43 43 MET HE2 H 1 2.159 0.030 . 1 . . . . 43 MET HE . 11195 1 455 . 1 1 43 43 MET HE3 H 1 2.159 0.030 . 1 . . . . 43 MET HE . 11195 1 456 . 1 1 43 43 MET HG2 H 1 2.578 0.030 . 2 . . . . 43 MET HG2 . 11195 1 457 . 1 1 43 43 MET HG3 H 1 2.806 0.030 . 2 . . . . 43 MET HG3 . 11195 1 458 . 1 1 43 43 MET C C 13 181.065 0.300 . 1 . . . . 43 MET C . 11195 1 459 . 1 1 43 43 MET CA C 13 59.382 0.300 . 1 . . . . 43 MET CA . 11195 1 460 . 1 1 43 43 MET CB C 13 31.606 0.300 . 1 . . . . 43 MET CB . 11195 1 461 . 1 1 43 43 MET CE C 13 17.865 0.300 . 1 . . . . 43 MET CE . 11195 1 462 . 1 1 43 43 MET CG C 13 31.653 0.300 . 1 . . . . 43 MET CG . 11195 1 463 . 1 1 43 43 MET N N 15 121.306 0.300 . 1 . . . . 43 MET N . 11195 1 464 . 1 1 44 44 LYS H H 1 8.292 0.030 . 1 . . . . 44 LYS H . 11195 1 465 . 1 1 44 44 LYS HA H 1 4.021 0.030 . 1 . . . . 44 LYS HA . 11195 1 466 . 1 1 44 44 LYS HB2 H 1 1.918 0.030 . 2 . . . . 44 LYS HB2 . 11195 1 467 . 1 1 44 44 LYS HB3 H 1 1.956 0.030 . 2 . . . . 44 LYS HB3 . 11195 1 468 . 1 1 44 44 LYS HD2 H 1 1.652 0.030 . 2 . . . . 44 LYS HD2 . 11195 1 469 . 1 1 44 44 LYS HD3 H 1 1.708 0.030 . 2 . . . . 44 LYS HD3 . 11195 1 470 . 1 1 44 44 LYS HE2 H 1 2.956 0.030 . 1 . . . . 44 LYS HE2 . 11195 1 471 . 1 1 44 44 LYS HE3 H 1 2.956 0.030 . 1 . . . . 44 LYS HE3 . 11195 1 472 . 1 1 44 44 LYS HG2 H 1 1.464 0.030 . 2 . . . . 44 LYS HG2 . 11195 1 473 . 1 1 44 44 LYS HG3 H 1 1.618 0.030 . 2 . . . . 44 LYS HG3 . 11195 1 474 . 1 1 44 44 LYS C C 13 177.572 0.300 . 1 . . . . 44 LYS C . 11195 1 475 . 1 1 44 44 LYS CA C 13 59.483 0.300 . 1 . . . . 44 LYS CA . 11195 1 476 . 1 1 44 44 LYS CB C 13 32.358 0.300 . 1 . . . . 44 LYS CB . 11195 1 477 . 1 1 44 44 LYS CD C 13 29.431 0.300 . 1 . . . . 44 LYS CD . 11195 1 478 . 1 1 44 44 LYS CE C 13 41.989 0.300 . 1 . . . . 44 LYS CE . 11195 1 479 . 1 1 44 44 LYS CG C 13 25.837 0.300 . 1 . . . . 44 LYS CG . 11195 1 480 . 1 1 44 44 LYS N N 15 120.241 0.300 . 1 . . . . 44 LYS N . 11195 1 481 . 1 1 45 45 ALA H H 1 7.553 0.030 . 1 . . . . 45 ALA H . 11195 1 482 . 1 1 45 45 ALA HA H 1 4.466 0.030 . 1 . . . . 45 ALA HA . 11195 1 483 . 1 1 45 45 ALA HB1 H 1 1.512 0.030 . 1 . . . . 45 ALA HB . 11195 1 484 . 1 1 45 45 ALA HB2 H 1 1.512 0.030 . 1 . . . . 45 ALA HB . 11195 1 485 . 1 1 45 45 ALA HB3 H 1 1.512 0.030 . 1 . . . . 45 ALA HB . 11195 1 486 . 1 1 45 45 ALA C C 13 177.203 0.300 . 1 . . . . 45 ALA C . 11195 1 487 . 1 1 45 45 ALA CA C 13 52.182 0.300 . 1 . . . . 45 ALA CA . 11195 1 488 . 1 1 45 45 ALA CB C 13 19.770 0.300 . 1 . . . . 45 ALA CB . 11195 1 489 . 1 1 45 45 ALA N N 15 119.132 0.300 . 1 . . . . 45 ALA N . 11195 1 490 . 1 1 46 46 GLY H H 1 7.764 0.030 . 1 . . . . 46 GLY H . 11195 1 491 . 1 1 46 46 GLY HA2 H 1 3.752 0.030 . 2 . . . . 46 GLY HA2 . 11195 1 492 . 1 1 46 46 GLY HA3 H 1 4.231 0.030 . 2 . . . . 46 GLY HA3 . 11195 1 493 . 1 1 46 46 GLY C C 13 174.746 0.300 . 1 . . . . 46 GLY C . 11195 1 494 . 1 1 46 46 GLY CA C 13 45.370 0.300 . 1 . . . . 46 GLY CA . 11195 1 495 . 1 1 46 46 GLY N N 15 104.887 0.300 . 1 . . . . 46 GLY N . 11195 1 496 . 1 1 47 47 VAL H H 1 7.750 0.030 . 1 . . . . 47 VAL H . 11195 1 497 . 1 1 47 47 VAL HA H 1 3.411 0.030 . 1 . . . . 47 VAL HA . 11195 1 498 . 1 1 47 47 VAL HB H 1 1.461 0.030 . 1 . . . . 47 VAL HB . 11195 1 499 . 1 1 47 47 VAL HG11 H 1 0.571 0.030 . 1 . . . . 47 VAL HG1 . 11195 1 500 . 1 1 47 47 VAL HG12 H 1 0.571 0.030 . 1 . . . . 47 VAL HG1 . 11195 1 501 . 1 1 47 47 VAL HG13 H 1 0.571 0.030 . 1 . . . . 47 VAL HG1 . 11195 1 502 . 1 1 47 47 VAL HG21 H 1 0.639 0.030 . 1 . . . . 47 VAL HG2 . 11195 1 503 . 1 1 47 47 VAL HG22 H 1 0.639 0.030 . 1 . . . . 47 VAL HG2 . 11195 1 504 . 1 1 47 47 VAL HG23 H 1 0.639 0.030 . 1 . . . . 47 VAL HG2 . 11195 1 505 . 1 1 47 47 VAL C C 13 173.693 0.300 . 1 . . . . 47 VAL C . 11195 1 506 . 1 1 47 47 VAL CA C 13 63.791 0.300 . 1 . . . . 47 VAL CA . 11195 1 507 . 1 1 47 47 VAL CB C 13 31.397 0.300 . 1 . . . . 47 VAL CB . 11195 1 508 . 1 1 47 47 VAL CG1 C 13 22.537 0.300 . 2 . . . . 47 VAL CG1 . 11195 1 509 . 1 1 47 47 VAL CG2 C 13 22.984 0.300 . 2 . . . . 47 VAL CG2 . 11195 1 510 . 1 1 47 47 VAL N N 15 122.296 0.300 . 1 . . . . 47 VAL N . 11195 1 511 . 1 1 48 48 LYS H H 1 8.576 0.030 . 1 . . . . 48 LYS H . 11195 1 512 . 1 1 48 48 LYS HA H 1 4.601 0.030 . 1 . . . . 48 LYS HA . 11195 1 513 . 1 1 48 48 LYS HB2 H 1 1.678 0.030 . 2 . . . . 48 LYS HB2 . 11195 1 514 . 1 1 48 48 LYS HB3 H 1 1.742 0.030 . 2 . . . . 48 LYS HB3 . 11195 1 515 . 1 1 48 48 LYS HD2 H 1 1.641 0.030 . 1 . . . . 48 LYS HD2 . 11195 1 516 . 1 1 48 48 LYS HD3 H 1 1.641 0.030 . 1 . . . . 48 LYS HD3 . 11195 1 517 . 1 1 48 48 LYS HE2 H 1 2.976 0.030 . 1 . . . . 48 LYS HE2 . 11195 1 518 . 1 1 48 48 LYS HE3 H 1 2.976 0.030 . 1 . . . . 48 LYS HE3 . 11195 1 519 . 1 1 48 48 LYS HG2 H 1 1.370 0.030 . 1 . . . . 48 LYS HG2 . 11195 1 520 . 1 1 48 48 LYS HG3 H 1 1.370 0.030 . 1 . . . . 48 LYS HG3 . 11195 1 521 . 1 1 48 48 LYS C C 13 175.746 0.300 . 1 . . . . 48 LYS C . 11195 1 522 . 1 1 48 48 LYS CA C 13 53.970 0.300 . 1 . . . . 48 LYS CA . 11195 1 523 . 1 1 48 48 LYS CB C 13 35.088 0.300 . 1 . . . . 48 LYS CB . 11195 1 524 . 1 1 48 48 LYS CD C 13 28.767 0.300 . 1 . . . . 48 LYS CD . 11195 1 525 . 1 1 48 48 LYS CE C 13 42.216 0.300 . 1 . . . . 48 LYS CE . 11195 1 526 . 1 1 48 48 LYS CG C 13 24.214 0.300 . 1 . . . . 48 LYS CG . 11195 1 527 . 1 1 48 48 LYS N N 15 126.697 0.300 . 1 . . . . 48 LYS N . 11195 1 528 . 1 1 49 49 GLU H H 1 8.781 0.030 . 1 . . . . 49 GLU H . 11195 1 529 . 1 1 49 49 GLU HA H 1 3.531 0.030 . 1 . . . . 49 GLU HA . 11195 1 530 . 1 1 49 49 GLU HB2 H 1 1.874 0.030 . 1 . . . . 49 GLU HB2 . 11195 1 531 . 1 1 49 49 GLU HB3 H 1 1.874 0.030 . 1 . . . . 49 GLU HB3 . 11195 1 532 . 1 1 49 49 GLU HG2 H 1 2.117 0.030 . 2 . . . . 49 GLU HG2 . 11195 1 533 . 1 1 49 49 GLU HG3 H 1 2.261 0.030 . 2 . . . . 49 GLU HG3 . 11195 1 534 . 1 1 49 49 GLU C C 13 177.589 0.300 . 1 . . . . 49 GLU C . 11195 1 535 . 1 1 49 49 GLU CA C 13 58.469 0.300 . 1 . . . . 49 GLU CA . 11195 1 536 . 1 1 49 49 GLU CB C 13 28.727 0.300 . 1 . . . . 49 GLU CB . 11195 1 537 . 1 1 49 49 GLU CG C 13 37.058 0.300 . 1 . . . . 49 GLU CG . 11195 1 538 . 1 1 49 49 GLU N N 15 121.139 0.300 . 1 . . . . 49 GLU N . 11195 1 539 . 1 1 50 50 GLY H H 1 9.127 0.030 . 1 . . . . 50 GLY H . 11195 1 540 . 1 1 50 50 GLY HA2 H 1 3.533 0.030 . 2 . . . . 50 GLY HA2 . 11195 1 541 . 1 1 50 50 GLY HA3 H 1 4.421 0.030 . 2 . . . . 50 GLY HA3 . 11195 1 542 . 1 1 50 50 GLY C C 13 174.202 0.300 . 1 . . . . 50 GLY C . 11195 1 543 . 1 1 50 50 GLY CA C 13 44.933 0.300 . 1 . . . . 50 GLY CA . 11195 1 544 . 1 1 50 50 GLY N N 15 113.679 0.300 . 1 . . . . 50 GLY N . 11195 1 545 . 1 1 51 51 ASP H H 1 7.870 0.030 . 1 . . . . 51 ASP H . 11195 1 546 . 1 1 51 51 ASP HA H 1 4.570 0.030 . 1 . . . . 51 ASP HA . 11195 1 547 . 1 1 51 51 ASP HB2 H 1 2.657 0.030 . 2 . . . . 51 ASP HB2 . 11195 1 548 . 1 1 51 51 ASP HB3 H 1 2.273 0.030 . 2 . . . . 51 ASP HB3 . 11195 1 549 . 1 1 51 51 ASP C C 13 174.904 0.300 . 1 . . . . 51 ASP C . 11195 1 550 . 1 1 51 51 ASP CA C 13 55.827 0.300 . 1 . . . . 51 ASP CA . 11195 1 551 . 1 1 51 51 ASP CB C 13 41.933 0.300 . 1 . . . . 51 ASP CB . 11195 1 552 . 1 1 51 51 ASP N N 15 121.458 0.300 . 1 . . . . 51 ASP N . 11195 1 553 . 1 1 52 52 ARG H H 1 8.640 0.030 . 1 . . . . 52 ARG H . 11195 1 554 . 1 1 52 52 ARG HA H 1 5.002 0.030 . 1 . . . . 52 ARG HA . 11195 1 555 . 1 1 52 52 ARG HB2 H 1 1.771 0.030 . 2 . . . . 52 ARG HB2 . 11195 1 556 . 1 1 52 52 ARG HB3 H 1 1.894 0.030 . 2 . . . . 52 ARG HB3 . 11195 1 557 . 1 1 52 52 ARG HD2 H 1 3.006 0.030 . 2 . . . . 52 ARG HD2 . 11195 1 558 . 1 1 52 52 ARG HD3 H 1 3.165 0.030 . 2 . . . . 52 ARG HD3 . 11195 1 559 . 1 1 52 52 ARG HE H 1 7.557 0.030 . 1 . . . . 52 ARG HE . 11195 1 560 . 1 1 52 52 ARG HG2 H 1 1.372 0.030 . 2 . . . . 52 ARG HG2 . 11195 1 561 . 1 1 52 52 ARG HG3 H 1 1.714 0.030 . 2 . . . . 52 ARG HG3 . 11195 1 562 . 1 1 52 52 ARG C C 13 175.939 0.300 . 1 . . . . 52 ARG C . 11195 1 563 . 1 1 52 52 ARG CA C 13 54.633 0.300 . 1 . . . . 52 ARG CA . 11195 1 564 . 1 1 52 52 ARG CB C 13 31.979 0.300 . 1 . . . . 52 ARG CB . 11195 1 565 . 1 1 52 52 ARG CD C 13 44.319 0.300 . 1 . . . . 52 ARG CD . 11195 1 566 . 1 1 52 52 ARG CG C 13 27.338 0.300 . 1 . . . . 52 ARG CG . 11195 1 567 . 1 1 52 52 ARG N N 15 121.225 0.300 . 1 . . . . 52 ARG N . 11195 1 568 . 1 1 52 52 ARG NE N 15 84.446 0.300 . 1 . . . . 52 ARG NE . 11195 1 569 . 1 1 53 53 ILE H H 1 8.756 0.030 . 1 . . . . 53 ILE H . 11195 1 570 . 1 1 53 53 ILE HA H 1 4.142 0.030 . 1 . . . . 53 ILE HA . 11195 1 571 . 1 1 53 53 ILE HB H 1 1.567 0.030 . 1 . . . . 53 ILE HB . 11195 1 572 . 1 1 53 53 ILE HD11 H 1 0.709 0.030 . 1 . . . . 53 ILE HD1 . 11195 1 573 . 1 1 53 53 ILE HD12 H 1 0.709 0.030 . 1 . . . . 53 ILE HD1 . 11195 1 574 . 1 1 53 53 ILE HD13 H 1 0.709 0.030 . 1 . . . . 53 ILE HD1 . 11195 1 575 . 1 1 53 53 ILE HG12 H 1 0.711 0.030 . 2 . . . . 53 ILE HG12 . 11195 1 576 . 1 1 53 53 ILE HG13 H 1 1.510 0.030 . 2 . . . . 53 ILE HG13 . 11195 1 577 . 1 1 53 53 ILE HG21 H 1 0.673 0.030 . 1 . . . . 53 ILE HG2 . 11195 1 578 . 1 1 53 53 ILE HG22 H 1 0.673 0.030 . 1 . . . . 53 ILE HG2 . 11195 1 579 . 1 1 53 53 ILE HG23 H 1 0.673 0.030 . 1 . . . . 53 ILE HG2 . 11195 1 580 . 1 1 53 53 ILE C C 13 174.623 0.300 . 1 . . . . 53 ILE C . 11195 1 581 . 1 1 53 53 ILE CA C 13 61.357 0.300 . 1 . . . . 53 ILE CA . 11195 1 582 . 1 1 53 53 ILE CB C 13 38.368 0.300 . 1 . . . . 53 ILE CB . 11195 1 583 . 1 1 53 53 ILE CD1 C 13 14.584 0.300 . 1 . . . . 53 ILE CD1 . 11195 1 584 . 1 1 53 53 ILE CG1 C 13 27.730 0.300 . 1 . . . . 53 ILE CG1 . 11195 1 585 . 1 1 53 53 ILE CG2 C 13 19.035 0.300 . 1 . . . . 53 ILE CG2 . 11195 1 586 . 1 1 53 53 ILE N N 15 126.248 0.300 . 1 . . . . 53 ILE N . 11195 1 587 . 1 1 54 54 ILE H H 1 8.751 0.030 . 1 . . . . 54 ILE H . 11195 1 588 . 1 1 54 54 ILE HA H 1 4.439 0.030 . 1 . . . . 54 ILE HA . 11195 1 589 . 1 1 54 54 ILE HB H 1 1.803 0.030 . 1 . . . . 54 ILE HB . 11195 1 590 . 1 1 54 54 ILE HD11 H 1 0.712 0.030 . 1 . . . . 54 ILE HD1 . 11195 1 591 . 1 1 54 54 ILE HD12 H 1 0.712 0.030 . 1 . . . . 54 ILE HD1 . 11195 1 592 . 1 1 54 54 ILE HD13 H 1 0.712 0.030 . 1 . . . . 54 ILE HD1 . 11195 1 593 . 1 1 54 54 ILE HG12 H 1 1.119 0.030 . 2 . . . . 54 ILE HG12 . 11195 1 594 . 1 1 54 54 ILE HG13 H 1 1.192 0.030 . 2 . . . . 54 ILE HG13 . 11195 1 595 . 1 1 54 54 ILE HG21 H 1 0.881 0.030 . 1 . . . . 54 ILE HG2 . 11195 1 596 . 1 1 54 54 ILE HG22 H 1 0.881 0.030 . 1 . . . . 54 ILE HG2 . 11195 1 597 . 1 1 54 54 ILE HG23 H 1 0.881 0.030 . 1 . . . . 54 ILE HG2 . 11195 1 598 . 1 1 54 54 ILE C C 13 176.747 0.300 . 1 . . . . 54 ILE C . 11195 1 599 . 1 1 54 54 ILE CA C 13 60.531 0.300 . 1 . . . . 54 ILE CA . 11195 1 600 . 1 1 54 54 ILE CB C 13 38.821 0.300 . 1 . . . . 54 ILE CB . 11195 1 601 . 1 1 54 54 ILE CD1 C 13 11.225 0.300 . 1 . . . . 54 ILE CD1 . 11195 1 602 . 1 1 54 54 ILE CG1 C 13 26.703 0.300 . 1 . . . . 54 ILE CG1 . 11195 1 603 . 1 1 54 54 ILE CG2 C 13 17.734 0.300 . 1 . . . . 54 ILE CG2 . 11195 1 604 . 1 1 54 54 ILE N N 15 122.583 0.300 . 1 . . . . 54 ILE N . 11195 1 605 . 1 1 55 55 LYS H H 1 7.582 0.030 . 1 . . . . 55 LYS H . 11195 1 606 . 1 1 55 55 LYS HA H 1 5.262 0.030 . 1 . . . . 55 LYS HA . 11195 1 607 . 1 1 55 55 LYS HB2 H 1 1.452 0.030 . 2 . . . . 55 LYS HB2 . 11195 1 608 . 1 1 55 55 LYS HB3 H 1 1.702 0.030 . 2 . . . . 55 LYS HB3 . 11195 1 609 . 1 1 55 55 LYS HD2 H 1 1.470 0.030 . 2 . . . . 55 LYS HD2 . 11195 1 610 . 1 1 55 55 LYS HD3 H 1 1.519 0.030 . 2 . . . . 55 LYS HD3 . 11195 1 611 . 1 1 55 55 LYS HE2 H 1 2.794 0.030 . 2 . . . . 55 LYS HE2 . 11195 1 612 . 1 1 55 55 LYS HE3 H 1 2.870 0.030 . 2 . . . . 55 LYS HE3 . 11195 1 613 . 1 1 55 55 LYS HG2 H 1 1.110 0.030 . 2 . . . . 55 LYS HG2 . 11195 1 614 . 1 1 55 55 LYS HG3 H 1 1.297 0.030 . 2 . . . . 55 LYS HG3 . 11195 1 615 . 1 1 55 55 LYS C C 13 174.623 0.300 . 1 . . . . 55 LYS C . 11195 1 616 . 1 1 55 55 LYS CA C 13 55.417 0.300 . 1 . . . . 55 LYS CA . 11195 1 617 . 1 1 55 55 LYS CB C 13 37.885 0.300 . 1 . . . . 55 LYS CB . 11195 1 618 . 1 1 55 55 LYS CD C 13 29.999 0.300 . 1 . . . . 55 LYS CD . 11195 1 619 . 1 1 55 55 LYS CE C 13 42.075 0.300 . 1 . . . . 55 LYS CE . 11195 1 620 . 1 1 55 55 LYS CG C 13 25.606 0.300 . 1 . . . . 55 LYS CG . 11195 1 621 . 1 1 55 55 LYS N N 15 118.890 0.300 . 1 . . . . 55 LYS N . 11195 1 622 . 1 1 56 56 VAL H H 1 8.557 0.030 . 1 . . . . 56 VAL H . 11195 1 623 . 1 1 56 56 VAL HA H 1 4.511 0.030 . 1 . . . . 56 VAL HA . 11195 1 624 . 1 1 56 56 VAL HB H 1 1.833 0.030 . 1 . . . . 56 VAL HB . 11195 1 625 . 1 1 56 56 VAL HG11 H 1 0.714 0.030 . 1 . . . . 56 VAL HG1 . 11195 1 626 . 1 1 56 56 VAL HG12 H 1 0.714 0.030 . 1 . . . . 56 VAL HG1 . 11195 1 627 . 1 1 56 56 VAL HG13 H 1 0.714 0.030 . 1 . . . . 56 VAL HG1 . 11195 1 628 . 1 1 56 56 VAL HG21 H 1 0.786 0.030 . 1 . . . . 56 VAL HG2 . 11195 1 629 . 1 1 56 56 VAL HG22 H 1 0.786 0.030 . 1 . . . . 56 VAL HG2 . 11195 1 630 . 1 1 56 56 VAL HG23 H 1 0.786 0.030 . 1 . . . . 56 VAL HG2 . 11195 1 631 . 1 1 56 56 VAL C C 13 175.290 0.300 . 1 . . . . 56 VAL C . 11195 1 632 . 1 1 56 56 VAL CA C 13 60.895 0.300 . 1 . . . . 56 VAL CA . 11195 1 633 . 1 1 56 56 VAL CB C 13 33.753 0.300 . 1 . . . . 56 VAL CB . 11195 1 634 . 1 1 56 56 VAL CG1 C 13 21.985 0.300 . 2 . . . . 56 VAL CG1 . 11195 1 635 . 1 1 56 56 VAL CG2 C 13 21.744 0.300 . 2 . . . . 56 VAL CG2 . 11195 1 636 . 1 1 56 56 VAL N N 15 120.892 0.300 . 1 . . . . 56 VAL N . 11195 1 637 . 1 1 57 57 ASN H H 1 9.990 0.030 . 1 . . . . 57 ASN H . 11195 1 638 . 1 1 57 57 ASN HA H 1 4.453 0.030 . 1 . . . . 57 ASN HA . 11195 1 639 . 1 1 57 57 ASN HB2 H 1 3.055 0.030 . 1 . . . . 57 ASN HB2 . 11195 1 640 . 1 1 57 57 ASN HB3 H 1 3.055 0.030 . 1 . . . . 57 ASN HB3 . 11195 1 641 . 1 1 57 57 ASN HD21 H 1 7.354 0.030 . 2 . . . . 57 ASN HD21 . 11195 1 642 . 1 1 57 57 ASN HD22 H 1 7.886 0.030 . 2 . . . . 57 ASN HD22 . 11195 1 643 . 1 1 57 57 ASN C C 13 175.553 0.300 . 1 . . . . 57 ASN C . 11195 1 644 . 1 1 57 57 ASN CA C 13 54.336 0.300 . 1 . . . . 57 ASN CA . 11195 1 645 . 1 1 57 57 ASN CB C 13 36.808 0.300 . 1 . . . . 57 ASN CB . 11195 1 646 . 1 1 57 57 ASN N N 15 125.840 0.300 . 1 . . . . 57 ASN N . 11195 1 647 . 1 1 57 57 ASN ND2 N 15 115.660 0.300 . 1 . . . . 57 ASN ND2 . 11195 1 648 . 1 1 58 58 GLY H H 1 8.514 0.030 . 1 . . . . 58 GLY H . 11195 1 649 . 1 1 58 58 GLY HA2 H 1 3.612 0.030 . 2 . . . . 58 GLY HA2 . 11195 1 650 . 1 1 58 58 GLY HA3 H 1 4.246 0.030 . 2 . . . . 58 GLY HA3 . 11195 1 651 . 1 1 58 58 GLY C C 13 173.903 0.300 . 1 . . . . 58 GLY C . 11195 1 652 . 1 1 58 58 GLY CA C 13 45.471 0.300 . 1 . . . . 58 GLY CA . 11195 1 653 . 1 1 58 58 GLY N N 15 104.148 0.300 . 1 . . . . 58 GLY N . 11195 1 654 . 1 1 59 59 THR H H 1 8.321 0.030 . 1 . . . . 59 THR H . 11195 1 655 . 1 1 59 59 THR HA H 1 4.389 0.030 . 1 . . . . 59 THR HA . 11195 1 656 . 1 1 59 59 THR HB H 1 4.220 0.030 . 1 . . . . 59 THR HB . 11195 1 657 . 1 1 59 59 THR HG21 H 1 1.209 0.030 . 1 . . . . 59 THR HG2 . 11195 1 658 . 1 1 59 59 THR HG22 H 1 1.209 0.030 . 1 . . . . 59 THR HG2 . 11195 1 659 . 1 1 59 59 THR HG23 H 1 1.209 0.030 . 1 . . . . 59 THR HG2 . 11195 1 660 . 1 1 59 59 THR C C 13 173.886 0.300 . 1 . . . . 59 THR C . 11195 1 661 . 1 1 59 59 THR CA C 13 62.271 0.300 . 1 . . . . 59 THR CA . 11195 1 662 . 1 1 59 59 THR CB C 13 70.127 0.300 . 1 . . . . 59 THR CB . 11195 1 663 . 1 1 59 59 THR CG2 C 13 21.566 0.300 . 1 . . . . 59 THR CG2 . 11195 1 664 . 1 1 59 59 THR N N 15 120.308 0.300 . 1 . . . . 59 THR N . 11195 1 665 . 1 1 60 60 MET H H 1 9.075 0.030 . 1 . . . . 60 MET H . 11195 1 666 . 1 1 60 60 MET HA H 1 4.701 0.030 . 1 . . . . 60 MET HA . 11195 1 667 . 1 1 60 60 MET HB2 H 1 2.159 0.030 . 2 . . . . 60 MET HB2 . 11195 1 668 . 1 1 60 60 MET HB3 H 1 2.192 0.030 . 2 . . . . 60 MET HB3 . 11195 1 669 . 1 1 60 60 MET HE1 H 1 2.111 0.030 . 1 . . . . 60 MET HE . 11195 1 670 . 1 1 60 60 MET HE2 H 1 2.111 0.030 . 1 . . . . 60 MET HE . 11195 1 671 . 1 1 60 60 MET HE3 H 1 2.111 0.030 . 1 . . . . 60 MET HE . 11195 1 672 . 1 1 60 60 MET HG2 H 1 2.673 0.030 . 2 . . . . 60 MET HG2 . 11195 1 673 . 1 1 60 60 MET HG3 H 1 2.792 0.030 . 2 . . . . 60 MET HG3 . 11195 1 674 . 1 1 60 60 MET C C 13 177.466 0.300 . 1 . . . . 60 MET C . 11195 1 675 . 1 1 60 60 MET CA C 13 56.111 0.300 . 1 . . . . 60 MET CA . 11195 1 676 . 1 1 60 60 MET CB C 13 32.260 0.300 . 1 . . . . 60 MET CB . 11195 1 677 . 1 1 60 60 MET CE C 13 16.539 0.300 . 1 . . . . 60 MET CE . 11195 1 678 . 1 1 60 60 MET CG C 13 32.125 0.300 . 1 . . . . 60 MET CG . 11195 1 679 . 1 1 60 60 MET N N 15 127.369 0.300 . 1 . . . . 60 MET N . 11195 1 680 . 1 1 61 61 VAL H H 1 8.022 0.030 . 1 . . . . 61 VAL H . 11195 1 681 . 1 1 61 61 VAL HA H 1 4.659 0.030 . 1 . . . . 61 VAL HA . 11195 1 682 . 1 1 61 61 VAL HB H 1 2.430 0.030 . 1 . . . . 61 VAL HB . 11195 1 683 . 1 1 61 61 VAL HG11 H 1 0.826 0.030 . 1 . . . . 61 VAL HG1 . 11195 1 684 . 1 1 61 61 VAL HG12 H 1 0.826 0.030 . 1 . . . . 61 VAL HG1 . 11195 1 685 . 1 1 61 61 VAL HG13 H 1 0.826 0.030 . 1 . . . . 61 VAL HG1 . 11195 1 686 . 1 1 61 61 VAL HG21 H 1 0.583 0.030 . 1 . . . . 61 VAL HG2 . 11195 1 687 . 1 1 61 61 VAL HG22 H 1 0.583 0.030 . 1 . . . . 61 VAL HG2 . 11195 1 688 . 1 1 61 61 VAL HG23 H 1 0.583 0.030 . 1 . . . . 61 VAL HG2 . 11195 1 689 . 1 1 61 61 VAL C C 13 175.904 0.300 . 1 . . . . 61 VAL C . 11195 1 690 . 1 1 61 61 VAL CA C 13 60.892 0.300 . 1 . . . . 61 VAL CA . 11195 1 691 . 1 1 61 61 VAL CB C 13 31.279 0.300 . 1 . . . . 61 VAL CB . 11195 1 692 . 1 1 61 61 VAL CG1 C 13 21.778 0.300 . 2 . . . . 61 VAL CG1 . 11195 1 693 . 1 1 61 61 VAL CG2 C 13 19.589 0.300 . 2 . . . . 61 VAL CG2 . 11195 1 694 . 1 1 61 61 VAL N N 15 116.305 0.300 . 1 . . . . 61 VAL N . 11195 1 695 . 1 1 62 62 THR H H 1 7.532 0.030 . 1 . . . . 62 THR H . 11195 1 696 . 1 1 62 62 THR HA H 1 4.310 0.030 . 1 . . . . 62 THR HA . 11195 1 697 . 1 1 62 62 THR HB H 1 4.261 0.030 . 1 . . . . 62 THR HB . 11195 1 698 . 1 1 62 62 THR HG21 H 1 1.342 0.030 . 1 . . . . 62 THR HG2 . 11195 1 699 . 1 1 62 62 THR HG22 H 1 1.342 0.030 . 1 . . . . 62 THR HG2 . 11195 1 700 . 1 1 62 62 THR HG23 H 1 1.342 0.030 . 1 . . . . 62 THR HG2 . 11195 1 701 . 1 1 62 62 THR CA C 13 63.674 0.300 . 1 . . . . 62 THR CA . 11195 1 702 . 1 1 62 62 THR CB C 13 68.861 0.300 . 1 . . . . 62 THR CB . 11195 1 703 . 1 1 62 62 THR CG2 C 13 22.678 0.300 . 1 . . . . 62 THR CG2 . 11195 1 704 . 1 1 63 63 ASN H H 1 8.715 0.030 . 1 . . . . 63 ASN H . 11195 1 705 . 1 1 63 63 ASN HA H 1 4.916 0.030 . 1 . . . . 63 ASN HA . 11195 1 706 . 1 1 63 63 ASN HB2 H 1 2.714 0.030 . 2 . . . . 63 ASN HB2 . 11195 1 707 . 1 1 63 63 ASN HB3 H 1 2.974 0.030 . 2 . . . . 63 ASN HB3 . 11195 1 708 . 1 1 63 63 ASN HD21 H 1 7.620 0.030 . 2 . . . . 63 ASN HD21 . 11195 1 709 . 1 1 63 63 ASN HD22 H 1 6.888 0.030 . 2 . . . . 63 ASN HD22 . 11195 1 710 . 1 1 63 63 ASN C C 13 174.939 0.300 . 1 . . . . 63 ASN C . 11195 1 711 . 1 1 63 63 ASN CA C 13 53.209 0.300 . 1 . . . . 63 ASN CA . 11195 1 712 . 1 1 63 63 ASN CB C 13 38.920 0.300 . 1 . . . . 63 ASN CB . 11195 1 713 . 1 1 63 63 ASN ND2 N 15 112.986 0.300 . 1 . . . . 63 ASN ND2 . 11195 1 714 . 1 1 64 64 SER H H 1 7.750 0.030 . 1 . . . . 64 SER H . 11195 1 715 . 1 1 64 64 SER HA H 1 4.670 0.030 . 1 . . . . 64 SER HA . 11195 1 716 . 1 1 64 64 SER HB2 H 1 3.644 0.030 . 2 . . . . 64 SER HB2 . 11195 1 717 . 1 1 64 64 SER HB3 H 1 3.861 0.030 . 2 . . . . 64 SER HB3 . 11195 1 718 . 1 1 64 64 SER C C 13 172.675 0.300 . 1 . . . . 64 SER C . 11195 1 719 . 1 1 64 64 SER CA C 13 58.308 0.300 . 1 . . . . 64 SER CA . 11195 1 720 . 1 1 64 64 SER CB C 13 64.925 0.300 . 1 . . . . 64 SER CB . 11195 1 721 . 1 1 64 64 SER N N 15 116.480 0.300 . 1 . . . . 64 SER N . 11195 1 722 . 1 1 65 65 SER H H 1 8.687 0.030 . 1 . . . . 65 SER H . 11195 1 723 . 1 1 65 65 SER HA H 1 4.693 0.030 . 1 . . . . 65 SER HA . 11195 1 724 . 1 1 65 65 SER HB2 H 1 3.973 0.030 . 2 . . . . 65 SER HB2 . 11195 1 725 . 1 1 65 65 SER HB3 H 1 4.269 0.030 . 2 . . . . 65 SER HB3 . 11195 1 726 . 1 1 65 65 SER C C 13 175.694 0.300 . 1 . . . . 65 SER C . 11195 1 727 . 1 1 65 65 SER CA C 13 57.200 0.300 . 1 . . . . 65 SER CA . 11195 1 728 . 1 1 65 65 SER CB C 13 65.540 0.300 . 1 . . . . 65 SER CB . 11195 1 729 . 1 1 65 65 SER N N 15 116.490 0.300 . 1 . . . . 65 SER N . 11195 1 730 . 1 1 66 66 HIS H H 1 9.161 0.030 . 1 . . . . 66 HIS H . 11195 1 731 . 1 1 66 66 HIS HA H 1 4.132 0.030 . 1 . . . . 66 HIS HA . 11195 1 732 . 1 1 66 66 HIS HB2 H 1 3.165 0.030 . 2 . . . . 66 HIS HB2 . 11195 1 733 . 1 1 66 66 HIS HB3 H 1 3.307 0.030 . 2 . . . . 66 HIS HB3 . 11195 1 734 . 1 1 66 66 HIS HD2 H 1 6.960 0.030 . 1 . . . . 66 HIS HD2 . 11195 1 735 . 1 1 66 66 HIS HE1 H 1 7.820 0.030 . 1 . . . . 66 HIS HE1 . 11195 1 736 . 1 1 66 66 HIS CA C 13 60.230 0.300 . 1 . . . . 66 HIS CA . 11195 1 737 . 1 1 66 66 HIS CB C 13 29.484 0.300 . 1 . . . . 66 HIS CB . 11195 1 738 . 1 1 66 66 HIS CD2 C 13 121.430 0.300 . 1 . . . . 66 HIS CD2 . 11195 1 739 . 1 1 66 66 HIS CE1 C 13 138.495 0.300 . 1 . . . . 66 HIS CE1 . 11195 1 740 . 1 1 67 67 LEU H H 1 7.612 0.030 . 1 . . . . 67 LEU H . 11195 1 741 . 1 1 67 67 LEU HA H 1 3.840 0.030 . 1 . . . . 67 LEU HA . 11195 1 742 . 1 1 67 67 LEU HB2 H 1 1.619 0.030 . 2 . . . . 67 LEU HB2 . 11195 1 743 . 1 1 67 67 LEU HB3 H 1 1.427 0.030 . 2 . . . . 67 LEU HB3 . 11195 1 744 . 1 1 67 67 LEU HD11 H 1 0.900 0.030 . 1 . . . . 67 LEU HD1 . 11195 1 745 . 1 1 67 67 LEU HD12 H 1 0.900 0.030 . 1 . . . . 67 LEU HD1 . 11195 1 746 . 1 1 67 67 LEU HD13 H 1 0.900 0.030 . 1 . . . . 67 LEU HD1 . 11195 1 747 . 1 1 67 67 LEU HD21 H 1 0.819 0.030 . 1 . . . . 67 LEU HD2 . 11195 1 748 . 1 1 67 67 LEU HD22 H 1 0.819 0.030 . 1 . . . . 67 LEU HD2 . 11195 1 749 . 1 1 67 67 LEU HD23 H 1 0.819 0.030 . 1 . . . . 67 LEU HD2 . 11195 1 750 . 1 1 67 67 LEU HG H 1 1.336 0.030 . 1 . . . . 67 LEU HG . 11195 1 751 . 1 1 67 67 LEU C C 13 179.871 0.300 . 1 . . . . 67 LEU C . 11195 1 752 . 1 1 67 67 LEU CA C 13 57.554 0.300 . 1 . . . . 67 LEU CA . 11195 1 753 . 1 1 67 67 LEU CB C 13 41.600 0.300 . 1 . . . . 67 LEU CB . 11195 1 754 . 1 1 67 67 LEU CD1 C 13 24.865 0.300 . 2 . . . . 67 LEU CD1 . 11195 1 755 . 1 1 67 67 LEU CD2 C 13 23.297 0.300 . 2 . . . . 67 LEU CD2 . 11195 1 756 . 1 1 67 67 LEU CG C 13 26.765 0.300 . 1 . . . . 67 LEU CG . 11195 1 757 . 1 1 67 67 LEU N N 15 117.618 0.300 . 1 . . . . 67 LEU N . 11195 1 758 . 1 1 68 68 GLU H H 1 7.475 0.030 . 1 . . . . 68 GLU H . 11195 1 759 . 1 1 68 68 GLU HA H 1 4.014 0.030 . 1 . . . . 68 GLU HA . 11195 1 760 . 1 1 68 68 GLU HB2 H 1 2.086 0.030 . 2 . . . . 68 GLU HB2 . 11195 1 761 . 1 1 68 68 GLU HB3 H 1 2.252 0.030 . 2 . . . . 68 GLU HB3 . 11195 1 762 . 1 1 68 68 GLU HG2 H 1 2.350 0.030 . 2 . . . . 68 GLU HG2 . 11195 1 763 . 1 1 68 68 GLU HG3 H 1 2.269 0.030 . 2 . . . . 68 GLU HG3 . 11195 1 764 . 1 1 68 68 GLU C C 13 179.134 0.300 . 1 . . . . 68 GLU C . 11195 1 765 . 1 1 68 68 GLU CA C 13 58.712 0.300 . 1 . . . . 68 GLU CA . 11195 1 766 . 1 1 68 68 GLU CB C 13 29.553 0.300 . 1 . . . . 68 GLU CB . 11195 1 767 . 1 1 68 68 GLU CG C 13 36.582 0.300 . 1 . . . . 68 GLU CG . 11195 1 768 . 1 1 68 68 GLU N N 15 118.761 0.300 . 1 . . . . 68 GLU N . 11195 1 769 . 1 1 69 69 VAL H H 1 8.018 0.030 . 1 . . . . 69 VAL H . 11195 1 770 . 1 1 69 69 VAL HA H 1 3.539 0.030 . 1 . . . . 69 VAL HA . 11195 1 771 . 1 1 69 69 VAL HB H 1 2.231 0.030 . 1 . . . . 69 VAL HB . 11195 1 772 . 1 1 69 69 VAL HG11 H 1 0.938 0.030 . 1 . . . . 69 VAL HG1 . 11195 1 773 . 1 1 69 69 VAL HG12 H 1 0.938 0.030 . 1 . . . . 69 VAL HG1 . 11195 1 774 . 1 1 69 69 VAL HG13 H 1 0.938 0.030 . 1 . . . . 69 VAL HG1 . 11195 1 775 . 1 1 69 69 VAL HG21 H 1 1.054 0.030 . 1 . . . . 69 VAL HG2 . 11195 1 776 . 1 1 69 69 VAL HG22 H 1 1.054 0.030 . 1 . . . . 69 VAL HG2 . 11195 1 777 . 1 1 69 69 VAL HG23 H 1 1.054 0.030 . 1 . . . . 69 VAL HG2 . 11195 1 778 . 1 1 69 69 VAL C C 13 177.659 0.300 . 1 . . . . 69 VAL C . 11195 1 779 . 1 1 69 69 VAL CA C 13 67.242 0.300 . 1 . . . . 69 VAL CA . 11195 1 780 . 1 1 69 69 VAL CB C 13 31.221 0.300 . 1 . . . . 69 VAL CB . 11195 1 781 . 1 1 69 69 VAL CG1 C 13 21.789 0.300 . 2 . . . . 69 VAL CG1 . 11195 1 782 . 1 1 69 69 VAL CG2 C 13 23.812 0.300 . 2 . . . . 69 VAL CG2 . 11195 1 783 . 1 1 69 69 VAL N N 15 120.404 0.300 . 1 . . . . 69 VAL N . 11195 1 784 . 1 1 70 70 VAL H H 1 8.243 0.030 . 1 . . . . 70 VAL H . 11195 1 785 . 1 1 70 70 VAL HA H 1 3.498 0.030 . 1 . . . . 70 VAL HA . 11195 1 786 . 1 1 70 70 VAL HB H 1 2.012 0.030 . 1 . . . . 70 VAL HB . 11195 1 787 . 1 1 70 70 VAL HG11 H 1 0.914 0.030 . 1 . . . . 70 VAL HG1 . 11195 1 788 . 1 1 70 70 VAL HG12 H 1 0.914 0.030 . 1 . . . . 70 VAL HG1 . 11195 1 789 . 1 1 70 70 VAL HG13 H 1 0.914 0.030 . 1 . . . . 70 VAL HG1 . 11195 1 790 . 1 1 70 70 VAL HG21 H 1 0.897 0.030 . 1 . . . . 70 VAL HG2 . 11195 1 791 . 1 1 70 70 VAL HG22 H 1 0.897 0.030 . 1 . . . . 70 VAL HG2 . 11195 1 792 . 1 1 70 70 VAL HG23 H 1 0.897 0.030 . 1 . . . . 70 VAL HG2 . 11195 1 793 . 1 1 70 70 VAL C C 13 177.519 0.300 . 1 . . . . 70 VAL C . 11195 1 794 . 1 1 70 70 VAL CA C 13 66.990 0.300 . 1 . . . . 70 VAL CA . 11195 1 795 . 1 1 70 70 VAL CB C 13 31.482 0.300 . 1 . . . . 70 VAL CB . 11195 1 796 . 1 1 70 70 VAL CG1 C 13 21.329 0.300 . 2 . . . . 70 VAL CG1 . 11195 1 797 . 1 1 70 70 VAL CG2 C 13 22.830 0.300 . 2 . . . . 70 VAL CG2 . 11195 1 798 . 1 1 70 70 VAL N N 15 119.017 0.300 . 1 . . . . 70 VAL N . 11195 1 799 . 1 1 71 71 LYS H H 1 7.338 0.030 . 1 . . . . 71 LYS H . 11195 1 800 . 1 1 71 71 LYS HA H 1 3.908 0.030 . 1 . . . . 71 LYS HA . 11195 1 801 . 1 1 71 71 LYS HB2 H 1 1.894 0.030 . 1 . . . . 71 LYS HB2 . 11195 1 802 . 1 1 71 71 LYS HB3 H 1 1.894 0.030 . 1 . . . . 71 LYS HB3 . 11195 1 803 . 1 1 71 71 LYS HD2 H 1 1.673 0.030 . 1 . . . . 71 LYS HD2 . 11195 1 804 . 1 1 71 71 LYS HD3 H 1 1.673 0.030 . 1 . . . . 71 LYS HD3 . 11195 1 805 . 1 1 71 71 LYS HE2 H 1 2.924 0.030 . 1 . . . . 71 LYS HE2 . 11195 1 806 . 1 1 71 71 LYS HE3 H 1 2.924 0.030 . 1 . . . . 71 LYS HE3 . 11195 1 807 . 1 1 71 71 LYS HG2 H 1 1.366 0.030 . 2 . . . . 71 LYS HG2 . 11195 1 808 . 1 1 71 71 LYS HG3 H 1 1.589 0.030 . 2 . . . . 71 LYS HG3 . 11195 1 809 . 1 1 71 71 LYS C C 13 179.362 0.300 . 1 . . . . 71 LYS C . 11195 1 810 . 1 1 71 71 LYS CA C 13 59.634 0.300 . 1 . . . . 71 LYS CA . 11195 1 811 . 1 1 71 71 LYS CB C 13 32.371 0.300 . 1 . . . . 71 LYS CB . 11195 1 812 . 1 1 71 71 LYS CD C 13 29.568 0.300 . 1 . . . . 71 LYS CD . 11195 1 813 . 1 1 71 71 LYS CE C 13 41.913 0.300 . 1 . . . . 71 LYS CE . 11195 1 814 . 1 1 71 71 LYS CG C 13 25.240 0.300 . 1 . . . . 71 LYS CG . 11195 1 815 . 1 1 71 71 LYS N N 15 118.429 0.300 . 1 . . . . 71 LYS N . 11195 1 816 . 1 1 72 72 LEU H H 1 7.596 0.030 . 1 . . . . 72 LEU H . 11195 1 817 . 1 1 72 72 LEU HA H 1 4.089 0.030 . 1 . . . . 72 LEU HA . 11195 1 818 . 1 1 72 72 LEU HB2 H 1 2.009 0.030 . 2 . . . . 72 LEU HB2 . 11195 1 819 . 1 1 72 72 LEU HB3 H 1 1.404 0.030 . 2 . . . . 72 LEU HB3 . 11195 1 820 . 1 1 72 72 LEU HD11 H 1 0.878 0.030 . 1 . . . . 72 LEU HD1 . 11195 1 821 . 1 1 72 72 LEU HD12 H 1 0.878 0.030 . 1 . . . . 72 LEU HD1 . 11195 1 822 . 1 1 72 72 LEU HD13 H 1 0.878 0.030 . 1 . . . . 72 LEU HD1 . 11195 1 823 . 1 1 72 72 LEU HD21 H 1 0.908 0.030 . 1 . . . . 72 LEU HD2 . 11195 1 824 . 1 1 72 72 LEU HD22 H 1 0.908 0.030 . 1 . . . . 72 LEU HD2 . 11195 1 825 . 1 1 72 72 LEU HD23 H 1 0.908 0.030 . 1 . . . . 72 LEU HD2 . 11195 1 826 . 1 1 72 72 LEU HG H 1 1.846 0.030 . 1 . . . . 72 LEU HG . 11195 1 827 . 1 1 72 72 LEU C C 13 180.082 0.300 . 1 . . . . 72 LEU C . 11195 1 828 . 1 1 72 72 LEU CA C 13 57.704 0.300 . 1 . . . . 72 LEU CA . 11195 1 829 . 1 1 72 72 LEU CB C 13 42.573 0.300 . 1 . . . . 72 LEU CB . 11195 1 830 . 1 1 72 72 LEU CD1 C 13 25.618 0.300 . 2 . . . . 72 LEU CD1 . 11195 1 831 . 1 1 72 72 LEU CD2 C 13 22.767 0.300 . 2 . . . . 72 LEU CD2 . 11195 1 832 . 1 1 72 72 LEU CG C 13 26.620 0.300 . 1 . . . . 72 LEU CG . 11195 1 833 . 1 1 72 72 LEU N N 15 118.641 0.300 . 1 . . . . 72 LEU N . 11195 1 834 . 1 1 73 73 ILE H H 1 8.209 0.030 . 1 . . . . 73 ILE H . 11195 1 835 . 1 1 73 73 ILE HA H 1 3.482 0.030 . 1 . . . . 73 ILE HA . 11195 1 836 . 1 1 73 73 ILE HB H 1 1.931 0.030 . 1 . . . . 73 ILE HB . 11195 1 837 . 1 1 73 73 ILE HD11 H 1 0.772 0.030 . 1 . . . . 73 ILE HD1 . 11195 1 838 . 1 1 73 73 ILE HD12 H 1 0.772 0.030 . 1 . . . . 73 ILE HD1 . 11195 1 839 . 1 1 73 73 ILE HD13 H 1 0.772 0.030 . 1 . . . . 73 ILE HD1 . 11195 1 840 . 1 1 73 73 ILE HG12 H 1 0.851 0.030 . 2 . . . . 73 ILE HG12 . 11195 1 841 . 1 1 73 73 ILE HG13 H 1 1.939 0.030 . 2 . . . . 73 ILE HG13 . 11195 1 842 . 1 1 73 73 ILE HG21 H 1 0.654 0.030 . 1 . . . . 73 ILE HG2 . 11195 1 843 . 1 1 73 73 ILE HG22 H 1 0.654 0.030 . 1 . . . . 73 ILE HG2 . 11195 1 844 . 1 1 73 73 ILE HG23 H 1 0.654 0.030 . 1 . . . . 73 ILE HG2 . 11195 1 845 . 1 1 73 73 ILE C C 13 176.922 0.300 . 1 . . . . 73 ILE C . 11195 1 846 . 1 1 73 73 ILE CA C 13 65.065 0.300 . 1 . . . . 73 ILE CA . 11195 1 847 . 1 1 73 73 ILE CB C 13 38.389 0.300 . 1 . . . . 73 ILE CB . 11195 1 848 . 1 1 73 73 ILE CD1 C 13 14.839 0.300 . 1 . . . . 73 ILE CD1 . 11195 1 849 . 1 1 73 73 ILE CG1 C 13 29.951 0.300 . 1 . . . . 73 ILE CG1 . 11195 1 850 . 1 1 73 73 ILE CG2 C 13 17.303 0.300 . 1 . . . . 73 ILE CG2 . 11195 1 851 . 1 1 73 73 ILE N N 15 119.518 0.300 . 1 . . . . 73 ILE N . 11195 1 852 . 1 1 74 74 LYS H H 1 7.767 0.030 . 1 . . . . 74 LYS H . 11195 1 853 . 1 1 74 74 LYS HA H 1 4.435 0.030 . 1 . . . . 74 LYS HA . 11195 1 854 . 1 1 74 74 LYS HB2 H 1 2.069 0.030 . 2 . . . . 74 LYS HB2 . 11195 1 855 . 1 1 74 74 LYS HB3 H 1 1.842 0.030 . 2 . . . . 74 LYS HB3 . 11195 1 856 . 1 1 74 74 LYS HD2 H 1 1.689 0.030 . 1 . . . . 74 LYS HD2 . 11195 1 857 . 1 1 74 74 LYS HD3 H 1 1.689 0.030 . 1 . . . . 74 LYS HD3 . 11195 1 858 . 1 1 74 74 LYS HE2 H 1 3.008 0.030 . 1 . . . . 74 LYS HE2 . 11195 1 859 . 1 1 74 74 LYS HE3 H 1 3.008 0.030 . 1 . . . . 74 LYS HE3 . 11195 1 860 . 1 1 74 74 LYS HG2 H 1 1.546 0.030 . 2 . . . . 74 LYS HG2 . 11195 1 861 . 1 1 74 74 LYS HG3 H 1 1.665 0.030 . 2 . . . . 74 LYS HG3 . 11195 1 862 . 1 1 74 74 LYS C C 13 177.238 0.300 . 1 . . . . 74 LYS C . 11195 1 863 . 1 1 74 74 LYS CA C 13 57.339 0.300 . 1 . . . . 74 LYS CA . 11195 1 864 . 1 1 74 74 LYS CB C 13 32.185 0.300 . 1 . . . . 74 LYS CB . 11195 1 865 . 1 1 74 74 LYS CD C 13 29.554 0.300 . 1 . . . . 74 LYS CD . 11195 1 866 . 1 1 74 74 LYS CE C 13 42.010 0.300 . 1 . . . . 74 LYS CE . 11195 1 867 . 1 1 74 74 LYS CG C 13 25.618 0.300 . 1 . . . . 74 LYS CG . 11195 1 868 . 1 1 74 74 LYS N N 15 114.410 0.300 . 1 . . . . 74 LYS N . 11195 1 869 . 1 1 75 75 SER H H 1 7.541 0.030 . 1 . . . . 75 SER H . 11195 1 870 . 1 1 75 75 SER HA H 1 4.265 0.030 . 1 . . . . 75 SER HA . 11195 1 871 . 1 1 75 75 SER HB2 H 1 4.003 0.030 . 2 . . . . 75 SER HB2 . 11195 1 872 . 1 1 75 75 SER HB3 H 1 4.077 0.030 . 2 . . . . 75 SER HB3 . 11195 1 873 . 1 1 75 75 SER C C 13 174.482 0.300 . 1 . . . . 75 SER C . 11195 1 874 . 1 1 75 75 SER CA C 13 60.837 0.300 . 1 . . . . 75 SER CA . 11195 1 875 . 1 1 75 75 SER CB C 13 63.879 0.300 . 1 . . . . 75 SER CB . 11195 1 876 . 1 1 75 75 SER N N 15 114.934 0.300 . 1 . . . . 75 SER N . 11195 1 877 . 1 1 76 76 GLY H H 1 7.911 0.030 . 1 . . . . 76 GLY H . 11195 1 878 . 1 1 76 76 GLY HA2 H 1 4.518 0.030 . 2 . . . . 76 GLY HA2 . 11195 1 879 . 1 1 76 76 GLY HA3 H 1 3.988 0.030 . 2 . . . . 76 GLY HA3 . 11195 1 880 . 1 1 76 76 GLY C C 13 172.833 0.300 . 1 . . . . 76 GLY C . 11195 1 881 . 1 1 76 76 GLY CA C 13 44.393 0.300 . 1 . . . . 76 GLY CA . 11195 1 882 . 1 1 76 76 GLY N N 15 109.577 0.300 . 1 . . . . 76 GLY N . 11195 1 883 . 1 1 77 77 ALA H H 1 8.581 0.030 . 1 . . . . 77 ALA H . 11195 1 884 . 1 1 77 77 ALA HA H 1 4.183 0.030 . 1 . . . . 77 ALA HA . 11195 1 885 . 1 1 77 77 ALA HB1 H 1 1.494 0.030 . 1 . . . . 77 ALA HB . 11195 1 886 . 1 1 77 77 ALA HB2 H 1 1.494 0.030 . 1 . . . . 77 ALA HB . 11195 1 887 . 1 1 77 77 ALA HB3 H 1 1.494 0.030 . 1 . . . . 77 ALA HB . 11195 1 888 . 1 1 77 77 ALA C C 13 176.220 0.300 . 1 . . . . 77 ALA C . 11195 1 889 . 1 1 77 77 ALA CA C 13 53.450 0.300 . 1 . . . . 77 ALA CA . 11195 1 890 . 1 1 77 77 ALA CB C 13 19.192 0.300 . 1 . . . . 77 ALA CB . 11195 1 891 . 1 1 77 77 ALA N N 15 121.091 0.300 . 1 . . . . 77 ALA N . 11195 1 892 . 1 1 78 78 TYR H H 1 7.687 0.030 . 1 . . . . 78 TYR H . 11195 1 893 . 1 1 78 78 TYR HA H 1 5.729 0.030 . 1 . . . . 78 TYR HA . 11195 1 894 . 1 1 78 78 TYR HB2 H 1 2.875 0.030 . 2 . . . . 78 TYR HB2 . 11195 1 895 . 1 1 78 78 TYR HB3 H 1 2.950 0.030 . 2 . . . . 78 TYR HB3 . 11195 1 896 . 1 1 78 78 TYR HD1 H 1 6.955 0.030 . 1 . . . . 78 TYR HD1 . 11195 1 897 . 1 1 78 78 TYR HD2 H 1 6.955 0.030 . 1 . . . . 78 TYR HD2 . 11195 1 898 . 1 1 78 78 TYR HE1 H 1 6.820 0.030 . 1 . . . . 78 TYR HE1 . 11195 1 899 . 1 1 78 78 TYR HE2 H 1 6.820 0.030 . 1 . . . . 78 TYR HE2 . 11195 1 900 . 1 1 78 78 TYR C C 13 174.851 0.300 . 1 . . . . 78 TYR C . 11195 1 901 . 1 1 78 78 TYR CA C 13 55.044 0.300 . 1 . . . . 78 TYR CA . 11195 1 902 . 1 1 78 78 TYR CB C 13 41.258 0.300 . 1 . . . . 78 TYR CB . 11195 1 903 . 1 1 78 78 TYR CD1 C 13 133.105 0.300 . 1 . . . . 78 TYR CD1 . 11195 1 904 . 1 1 78 78 TYR CD2 C 13 133.105 0.300 . 1 . . . . 78 TYR CD2 . 11195 1 905 . 1 1 78 78 TYR CE1 C 13 118.064 0.300 . 1 . . . . 78 TYR CE1 . 11195 1 906 . 1 1 78 78 TYR CE2 C 13 118.064 0.300 . 1 . . . . 78 TYR CE2 . 11195 1 907 . 1 1 78 78 TYR N N 15 112.737 0.300 . 1 . . . . 78 TYR N . 11195 1 908 . 1 1 79 79 VAL H H 1 9.162 0.030 . 1 . . . . 79 VAL H . 11195 1 909 . 1 1 79 79 VAL HA H 1 4.888 0.030 . 1 . . . . 79 VAL HA . 11195 1 910 . 1 1 79 79 VAL HB H 1 1.685 0.030 . 1 . . . . 79 VAL HB . 11195 1 911 . 1 1 79 79 VAL HG11 H 1 0.437 0.030 . 1 . . . . 79 VAL HG1 . 11195 1 912 . 1 1 79 79 VAL HG12 H 1 0.437 0.030 . 1 . . . . 79 VAL HG1 . 11195 1 913 . 1 1 79 79 VAL HG13 H 1 0.437 0.030 . 1 . . . . 79 VAL HG1 . 11195 1 914 . 1 1 79 79 VAL HG21 H 1 0.858 0.030 . 1 . . . . 79 VAL HG2 . 11195 1 915 . 1 1 79 79 VAL HG22 H 1 0.858 0.030 . 1 . . . . 79 VAL HG2 . 11195 1 916 . 1 1 79 79 VAL HG23 H 1 0.858 0.030 . 1 . . . . 79 VAL HG2 . 11195 1 917 . 1 1 79 79 VAL C C 13 171.130 0.300 . 1 . . . . 79 VAL C . 11195 1 918 . 1 1 79 79 VAL CA C 13 59.356 0.300 . 1 . . . . 79 VAL CA . 11195 1 919 . 1 1 79 79 VAL CB C 13 34.807 0.300 . 1 . . . . 79 VAL CB . 11195 1 920 . 1 1 79 79 VAL CG1 C 13 19.777 0.300 . 2 . . . . 79 VAL CG1 . 11195 1 921 . 1 1 79 79 VAL CG2 C 13 23.860 0.300 . 2 . . . . 79 VAL CG2 . 11195 1 922 . 1 1 79 79 VAL N N 15 120.823 0.300 . 1 . . . . 79 VAL N . 11195 1 923 . 1 1 80 80 ALA H H 1 8.546 0.030 . 1 . . . . 80 ALA H . 11195 1 924 . 1 1 80 80 ALA HA H 1 5.321 0.030 . 1 . . . . 80 ALA HA . 11195 1 925 . 1 1 80 80 ALA HB1 H 1 1.367 0.030 . 1 . . . . 80 ALA HB . 11195 1 926 . 1 1 80 80 ALA HB2 H 1 1.367 0.030 . 1 . . . . 80 ALA HB . 11195 1 927 . 1 1 80 80 ALA HB3 H 1 1.367 0.030 . 1 . . . . 80 ALA HB . 11195 1 928 . 1 1 80 80 ALA C C 13 177.098 0.300 . 1 . . . . 80 ALA C . 11195 1 929 . 1 1 80 80 ALA CA C 13 49.745 0.300 . 1 . . . . 80 ALA CA . 11195 1 930 . 1 1 80 80 ALA CB C 13 20.266 0.300 . 1 . . . . 80 ALA CB . 11195 1 931 . 1 1 80 80 ALA N N 15 130.389 0.300 . 1 . . . . 80 ALA N . 11195 1 932 . 1 1 81 81 LEU H H 1 9.181 0.030 . 1 . . . . 81 LEU H . 11195 1 933 . 1 1 81 81 LEU HA H 1 5.185 0.030 . 1 . . . . 81 LEU HA . 11195 1 934 . 1 1 81 81 LEU HB2 H 1 1.631 0.030 . 2 . . . . 81 LEU HB2 . 11195 1 935 . 1 1 81 81 LEU HB3 H 1 1.177 0.030 . 2 . . . . 81 LEU HB3 . 11195 1 936 . 1 1 81 81 LEU HD11 H 1 0.376 0.030 . 1 . . . . 81 LEU HD1 . 11195 1 937 . 1 1 81 81 LEU HD12 H 1 0.376 0.030 . 1 . . . . 81 LEU HD1 . 11195 1 938 . 1 1 81 81 LEU HD13 H 1 0.376 0.030 . 1 . . . . 81 LEU HD1 . 11195 1 939 . 1 1 81 81 LEU HD21 H 1 0.831 0.030 . 1 . . . . 81 LEU HD2 . 11195 1 940 . 1 1 81 81 LEU HD22 H 1 0.831 0.030 . 1 . . . . 81 LEU HD2 . 11195 1 941 . 1 1 81 81 LEU HD23 H 1 0.831 0.030 . 1 . . . . 81 LEU HD2 . 11195 1 942 . 1 1 81 81 LEU HG H 1 1.461 0.030 . 1 . . . . 81 LEU HG . 11195 1 943 . 1 1 81 81 LEU C C 13 176.325 0.300 . 1 . . . . 81 LEU C . 11195 1 944 . 1 1 81 81 LEU CA C 13 52.938 0.300 . 1 . . . . 81 LEU CA . 11195 1 945 . 1 1 81 81 LEU CB C 13 45.339 0.300 . 1 . . . . 81 LEU CB . 11195 1 946 . 1 1 81 81 LEU CD1 C 13 26.025 0.300 . 2 . . . . 81 LEU CD1 . 11195 1 947 . 1 1 81 81 LEU CD2 C 13 24.844 0.300 . 2 . . . . 81 LEU CD2 . 11195 1 948 . 1 1 81 81 LEU CG C 13 26.232 0.300 . 1 . . . . 81 LEU CG . 11195 1 949 . 1 1 81 81 LEU N N 15 124.250 0.300 . 1 . . . . 81 LEU N . 11195 1 950 . 1 1 82 82 THR H H 1 8.471 0.030 . 1 . . . . 82 THR H . 11195 1 951 . 1 1 82 82 THR HA H 1 5.096 0.030 . 1 . . . . 82 THR HA . 11195 1 952 . 1 1 82 82 THR HB H 1 3.846 0.030 . 1 . . . . 82 THR HB . 11195 1 953 . 1 1 82 82 THR HG21 H 1 1.112 0.030 . 1 . . . . 82 THR HG2 . 11195 1 954 . 1 1 82 82 THR HG22 H 1 1.112 0.030 . 1 . . . . 82 THR HG2 . 11195 1 955 . 1 1 82 82 THR HG23 H 1 1.112 0.030 . 1 . . . . 82 THR HG2 . 11195 1 956 . 1 1 82 82 THR C C 13 173.464 0.300 . 1 . . . . 82 THR C . 11195 1 957 . 1 1 82 82 THR CA C 13 62.801 0.300 . 1 . . . . 82 THR CA . 11195 1 958 . 1 1 82 82 THR CB C 13 68.547 0.300 . 1 . . . . 82 THR CB . 11195 1 959 . 1 1 82 82 THR CG2 C 13 21.590 0.300 . 1 . . . . 82 THR CG2 . 11195 1 960 . 1 1 82 82 THR N N 15 119.161 0.300 . 1 . . . . 82 THR N . 11195 1 961 . 1 1 83 83 LEU H H 1 9.424 0.030 . 1 . . . . 83 LEU H . 11195 1 962 . 1 1 83 83 LEU HA H 1 5.433 0.030 . 1 . . . . 83 LEU HA . 11195 1 963 . 1 1 83 83 LEU HB2 H 1 1.589 0.030 . 2 . . . . 83 LEU HB2 . 11195 1 964 . 1 1 83 83 LEU HB3 H 1 1.266 0.030 . 2 . . . . 83 LEU HB3 . 11195 1 965 . 1 1 83 83 LEU HD11 H 1 0.762 0.030 . 1 . . . . 83 LEU HD1 . 11195 1 966 . 1 1 83 83 LEU HD12 H 1 0.762 0.030 . 1 . . . . 83 LEU HD1 . 11195 1 967 . 1 1 83 83 LEU HD13 H 1 0.762 0.030 . 1 . . . . 83 LEU HD1 . 11195 1 968 . 1 1 83 83 LEU HD21 H 1 0.665 0.030 . 1 . . . . 83 LEU HD2 . 11195 1 969 . 1 1 83 83 LEU HD22 H 1 0.665 0.030 . 1 . . . . 83 LEU HD2 . 11195 1 970 . 1 1 83 83 LEU HD23 H 1 0.665 0.030 . 1 . . . . 83 LEU HD2 . 11195 1 971 . 1 1 83 83 LEU HG H 1 1.447 0.030 . 1 . . . . 83 LEU HG . 11195 1 972 . 1 1 83 83 LEU C C 13 175.588 0.300 . 1 . . . . 83 LEU C . 11195 1 973 . 1 1 83 83 LEU CA C 13 52.830 0.300 . 1 . . . . 83 LEU CA . 11195 1 974 . 1 1 83 83 LEU CB C 13 45.614 0.300 . 1 . . . . 83 LEU CB . 11195 1 975 . 1 1 83 83 LEU CD1 C 13 26.421 0.300 . 2 . . . . 83 LEU CD1 . 11195 1 976 . 1 1 83 83 LEU CD2 C 13 25.347 0.300 . 2 . . . . 83 LEU CD2 . 11195 1 977 . 1 1 83 83 LEU CG C 13 26.436 0.300 . 1 . . . . 83 LEU CG . 11195 1 978 . 1 1 83 83 LEU N N 15 128.454 0.300 . 1 . . . . 83 LEU N . 11195 1 979 . 1 1 84 84 LEU H H 1 8.950 0.030 . 1 . . . . 84 LEU H . 11195 1 980 . 1 1 84 84 LEU HA H 1 4.813 0.030 . 1 . . . . 84 LEU HA . 11195 1 981 . 1 1 84 84 LEU HB2 H 1 1.708 0.030 . 2 . . . . 84 LEU HB2 . 11195 1 982 . 1 1 84 84 LEU HB3 H 1 1.350 0.030 . 2 . . . . 84 LEU HB3 . 11195 1 983 . 1 1 84 84 LEU HD11 H 1 0.875 0.030 . 1 . . . . 84 LEU HD1 . 11195 1 984 . 1 1 84 84 LEU HD12 H 1 0.875 0.030 . 1 . . . . 84 LEU HD1 . 11195 1 985 . 1 1 84 84 LEU HD13 H 1 0.875 0.030 . 1 . . . . 84 LEU HD1 . 11195 1 986 . 1 1 84 84 LEU HD21 H 1 0.857 0.030 . 1 . . . . 84 LEU HD2 . 11195 1 987 . 1 1 84 84 LEU HD22 H 1 0.857 0.030 . 1 . . . . 84 LEU HD2 . 11195 1 988 . 1 1 84 84 LEU HD23 H 1 0.857 0.030 . 1 . . . . 84 LEU HD2 . 11195 1 989 . 1 1 84 84 LEU HG H 1 1.547 0.030 . 1 . . . . 84 LEU HG . 11195 1 990 . 1 1 84 84 LEU C C 13 176.764 0.300 . 1 . . . . 84 LEU C . 11195 1 991 . 1 1 84 84 LEU CA C 13 53.877 0.300 . 1 . . . . 84 LEU CA . 11195 1 992 . 1 1 84 84 LEU CB C 13 45.140 0.300 . 1 . . . . 84 LEU CB . 11195 1 993 . 1 1 84 84 LEU CD1 C 13 25.021 0.300 . 2 . . . . 84 LEU CD1 . 11195 1 994 . 1 1 84 84 LEU CD2 C 13 24.292 0.300 . 2 . . . . 84 LEU CD2 . 11195 1 995 . 1 1 84 84 LEU CG C 13 27.065 0.300 . 1 . . . . 84 LEU CG . 11195 1 996 . 1 1 84 84 LEU N N 15 121.517 0.300 . 1 . . . . 84 LEU N . 11195 1 997 . 1 1 85 85 GLY H H 1 8.630 0.030 . 1 . . . . 85 GLY H . 11195 1 998 . 1 1 85 85 GLY HA2 H 1 4.442 0.030 . 2 . . . . 85 GLY HA2 . 11195 1 999 . 1 1 85 85 GLY HA3 H 1 3.899 0.030 . 2 . . . . 85 GLY HA3 . 11195 1 1000 . 1 1 85 85 GLY C C 13 173.499 0.300 . 1 . . . . 85 GLY C . 11195 1 1001 . 1 1 85 85 GLY CA C 13 44.939 0.300 . 1 . . . . 85 GLY CA . 11195 1 1002 . 1 1 85 85 GLY N N 15 113.869 0.300 . 1 . . . . 85 GLY N . 11195 1 1003 . 1 1 86 86 SER H H 1 8.609 0.030 . 1 . . . . 86 SER H . 11195 1 1004 . 1 1 86 86 SER HA H 1 4.541 0.030 . 1 . . . . 86 SER HA . 11195 1 1005 . 1 1 86 86 SER HB2 H 1 3.850 0.030 . 2 . . . . 86 SER HB2 . 11195 1 1006 . 1 1 86 86 SER HB3 H 1 3.914 0.030 . 2 . . . . 86 SER HB3 . 11195 1 1007 . 1 1 86 86 SER C C 13 175.114 0.300 . 1 . . . . 86 SER C . 11195 1 1008 . 1 1 86 86 SER CA C 13 58.210 0.300 . 1 . . . . 86 SER CA . 11195 1 1009 . 1 1 86 86 SER CB C 13 63.953 0.300 . 1 . . . . 86 SER CB . 11195 1 1010 . 1 1 86 86 SER N N 15 115.917 0.300 . 1 . . . . 86 SER N . 11195 1 1011 . 1 1 88 88 SER CA C 13 58.393 0.300 . 1 . . . . 88 SER CA . 11195 1 1012 . 1 1 88 88 SER CB C 13 64.111 0.300 . 1 . . . . 88 SER CB . 11195 1 1013 . 1 1 89 89 GLY H H 1 8.265 0.030 . 1 . . . . 89 GLY H . 11195 1 1014 . 1 1 89 89 GLY HA2 H 1 4.153 0.030 . 2 . . . . 89 GLY HA2 . 11195 1 1015 . 1 1 89 89 GLY HA3 H 1 4.115 0.030 . 2 . . . . 89 GLY HA3 . 11195 1 1016 . 1 1 89 89 GLY CA C 13 44.601 0.300 . 1 . . . . 89 GLY CA . 11195 1 1017 . 1 1 89 89 GLY N N 15 110.621 0.300 . 1 . . . . 89 GLY N . 11195 1 1018 . 1 1 90 90 PRO HA H 1 4.484 0.030 . 1 . . . . 90 PRO HA . 11195 1 1019 . 1 1 90 90 PRO HB2 H 1 2.303 0.030 . 2 . . . . 90 PRO HB2 . 11195 1 1020 . 1 1 90 90 PRO HB3 H 1 1.985 0.030 . 2 . . . . 90 PRO HB3 . 11195 1 1021 . 1 1 90 90 PRO HD2 H 1 3.635 0.030 . 1 . . . . 90 PRO HD2 . 11195 1 1022 . 1 1 90 90 PRO HD3 H 1 3.635 0.030 . 1 . . . . 90 PRO HD3 . 11195 1 1023 . 1 1 90 90 PRO HG2 H 1 2.027 0.030 . 1 . . . . 90 PRO HG2 . 11195 1 1024 . 1 1 90 90 PRO HG3 H 1 2.027 0.030 . 1 . . . . 90 PRO HG3 . 11195 1 1025 . 1 1 90 90 PRO CA C 13 63.190 0.300 . 1 . . . . 90 PRO CA . 11195 1 1026 . 1 1 90 90 PRO CB C 13 32.186 0.300 . 1 . . . . 90 PRO CB . 11195 1 1027 . 1 1 90 90 PRO CD C 13 49.759 0.300 . 1 . . . . 90 PRO CD . 11195 1 1028 . 1 1 90 90 PRO CG C 13 27.101 0.300 . 1 . . . . 90 PRO CG . 11195 1 stop_ save_