data_10029 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10029 _Entry.Title ; Solution structure of the fifth PDZ domain of human membrane associated guanylate kinase inverted-2 (KIAA0705 protein) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-01 _Entry.Accession_date 2006-11-01 _Entry.Last_release_date 2008-08-12 _Entry.Original_release_date 2008-08-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 N. Tochio . . . 10029 2 S. Koshiba . . . 10029 3 M. Inoue . . . 10029 4 T. Kigawa . . . 10029 5 S. Yokoyama . . . 10029 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10029 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10029 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 417 10029 '15N chemical shifts' 102 10029 '1H chemical shifts' 659 10029 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 . . 2008-08-12 2006-11-01 original author . 10029 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WFV 'BMRB Entry Tracking System' 10029 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10029 _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 fifth PDZ domain of human membrane associated guanylate kinase inverted-2 (KIAA0705 protein) ; _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 N. Tochio . . . 10029 1 2 S. Koshiba . . . 10029 1 3 M. Inoue . . . 10029 1 4 T. Kigawa . . . 10029 1 5 S. Yokoyama . . . 10029 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10029 _Assembly.ID 1 _Assembly.Name 'membrane associated guanylate kinase inverted-2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10029 1 stop_ 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 'membrane associated guanylate kinase inverted-2' 1 $entity_1 . . yes native no no . . . 10029 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 1WFV . . . . . . 10029 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10029 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGQDFDYFTVDMEKG AKGFGFSIRGGREYKMDLYV LRLAEDGPAIRNGRMRVGDQ IIEINGESTRDMTHARAIEL IKSGGRRVRLLLKRGTGSGP SSG ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2014-05-12 loop_ _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 no PDB 1WFV . "Solution Structure Of The Fifth Pdz Domain Of Human Membrane Associated Guanylate Kinase Inverted-2 (Kiaa0705 Protein)" . . . . . 100.00 103 100.00 100.00 3.84e-65 . . . . 10029 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 10029 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 . 10029 1 2 . SER . 10029 1 3 . SER . 10029 1 4 . GLY . 10029 1 5 . SER . 10029 1 6 . SER . 10029 1 7 . GLY . 10029 1 8 . GLN . 10029 1 9 . ASP . 10029 1 10 . PHE . 10029 1 11 . ASP . 10029 1 12 . TYR . 10029 1 13 . PHE . 10029 1 14 . THR . 10029 1 15 . VAL . 10029 1 16 . ASP . 10029 1 17 . MET . 10029 1 18 . GLU . 10029 1 19 . LYS . 10029 1 20 . GLY . 10029 1 21 . ALA . 10029 1 22 . LYS . 10029 1 23 . GLY . 10029 1 24 . PHE . 10029 1 25 . GLY . 10029 1 26 . PHE . 10029 1 27 . SER . 10029 1 28 . ILE . 10029 1 29 . ARG . 10029 1 30 . GLY . 10029 1 31 . GLY . 10029 1 32 . ARG . 10029 1 33 . GLU . 10029 1 34 . TYR . 10029 1 35 . LYS . 10029 1 36 . MET . 10029 1 37 . ASP . 10029 1 38 . LEU . 10029 1 39 . TYR . 10029 1 40 . VAL . 10029 1 41 . LEU . 10029 1 42 . ARG . 10029 1 43 . LEU . 10029 1 44 . ALA . 10029 1 45 . GLU . 10029 1 46 . ASP . 10029 1 47 . GLY . 10029 1 48 . PRO . 10029 1 49 . ALA . 10029 1 50 . ILE . 10029 1 51 . ARG . 10029 1 52 . ASN . 10029 1 53 . GLY . 10029 1 54 . ARG . 10029 1 55 . MET . 10029 1 56 . ARG . 10029 1 57 . VAL . 10029 1 58 . GLY . 10029 1 59 . ASP . 10029 1 60 . GLN . 10029 1 61 . ILE . 10029 1 62 . ILE . 10029 1 63 . GLU . 10029 1 64 . ILE . 10029 1 65 . ASN . 10029 1 66 . GLY . 10029 1 67 . GLU . 10029 1 68 . SER . 10029 1 69 . THR . 10029 1 70 . ARG . 10029 1 71 . ASP . 10029 1 72 . MET . 10029 1 73 . THR . 10029 1 74 . HIS . 10029 1 75 . ALA . 10029 1 76 . ARG . 10029 1 77 . ALA . 10029 1 78 . ILE . 10029 1 79 . GLU . 10029 1 80 . LEU . 10029 1 81 . ILE . 10029 1 82 . LYS . 10029 1 83 . SER . 10029 1 84 . GLY . 10029 1 85 . GLY . 10029 1 86 . ARG . 10029 1 87 . ARG . 10029 1 88 . VAL . 10029 1 89 . ARG . 10029 1 90 . LEU . 10029 1 91 . LEU . 10029 1 92 . LEU . 10029 1 93 . LYS . 10029 1 94 . ARG . 10029 1 95 . GLY . 10029 1 96 . THR . 10029 1 97 . GLY . 10029 1 98 . SER . 10029 1 99 . GLY . 10029 1 100 . PRO . 10029 1 101 . SER . 10029 1 102 . SER . 10029 1 103 . GLY . 10029 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 10029 1 . SER 2 2 10029 1 . SER 3 3 10029 1 . GLY 4 4 10029 1 . SER 5 5 10029 1 . SER 6 6 10029 1 . GLY 7 7 10029 1 . GLN 8 8 10029 1 . ASP 9 9 10029 1 . PHE 10 10 10029 1 . ASP 11 11 10029 1 . TYR 12 12 10029 1 . PHE 13 13 10029 1 . THR 14 14 10029 1 . VAL 15 15 10029 1 . ASP 16 16 10029 1 . MET 17 17 10029 1 . GLU 18 18 10029 1 . LYS 19 19 10029 1 . GLY 20 20 10029 1 . ALA 21 21 10029 1 . LYS 22 22 10029 1 . GLY 23 23 10029 1 . PHE 24 24 10029 1 . GLY 25 25 10029 1 . PHE 26 26 10029 1 . SER 27 27 10029 1 . ILE 28 28 10029 1 . ARG 29 29 10029 1 . GLY 30 30 10029 1 . GLY 31 31 10029 1 . ARG 32 32 10029 1 . GLU 33 33 10029 1 . TYR 34 34 10029 1 . LYS 35 35 10029 1 . MET 36 36 10029 1 . ASP 37 37 10029 1 . LEU 38 38 10029 1 . TYR 39 39 10029 1 . VAL 40 40 10029 1 . LEU 41 41 10029 1 . ARG 42 42 10029 1 . LEU 43 43 10029 1 . ALA 44 44 10029 1 . GLU 45 45 10029 1 . ASP 46 46 10029 1 . GLY 47 47 10029 1 . PRO 48 48 10029 1 . ALA 49 49 10029 1 . ILE 50 50 10029 1 . ARG 51 51 10029 1 . ASN 52 52 10029 1 . GLY 53 53 10029 1 . ARG 54 54 10029 1 . MET 55 55 10029 1 . ARG 56 56 10029 1 . VAL 57 57 10029 1 . GLY 58 58 10029 1 . ASP 59 59 10029 1 . GLN 60 60 10029 1 . ILE 61 61 10029 1 . ILE 62 62 10029 1 . GLU 63 63 10029 1 . ILE 64 64 10029 1 . ASN 65 65 10029 1 . GLY 66 66 10029 1 . GLU 67 67 10029 1 . SER 68 68 10029 1 . THR 69 69 10029 1 . ARG 70 70 10029 1 . ASP 71 71 10029 1 . MET 72 72 10029 1 . THR 73 73 10029 1 . HIS 74 74 10029 1 . ALA 75 75 10029 1 . ARG 76 76 10029 1 . ALA 77 77 10029 1 . ILE 78 78 10029 1 . GLU 79 79 10029 1 . LEU 80 80 10029 1 . ILE 81 81 10029 1 . LYS 82 82 10029 1 . SER 83 83 10029 1 . GLY 84 84 10029 1 . GLY 85 85 10029 1 . ARG 86 86 10029 1 . ARG 87 87 10029 1 . VAL 88 88 10029 1 . ARG 89 89 10029 1 . LEU 90 90 10029 1 . LEU 91 91 10029 1 . LEU 92 92 10029 1 . LYS 93 93 10029 1 . ARG 94 94 10029 1 . GLY 95 95 10029 1 . THR 96 96 10029 1 . GLY 97 97 10029 1 . SER 98 98 10029 1 . GLY 99 99 10029 1 . PRO 100 100 10029 1 . SER 101 101 10029 1 . SER 102 102 10029 1 . GLY 103 103 10029 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 10029 _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 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10029 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 10029 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P021030-33 . . . . . . 10029 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10029 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . . 1.3 . . mM . . . . 10029 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10029 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10029 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10029 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10029 1 6 H2O . . . . . . solvent 90 . . % . . . . 10029 1 7 D2O . . . . . . solvent 10 . . % . . . . 10029 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 10029 _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 10029 1 pH 6.0 0.05 pH 10029 1 pressure 1 0.001 atm 10029 1 temperature 298 0.1 K 10029 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10029 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10029 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10029 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10029 _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.' . . 10029 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10029 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10029 _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.' . . 10029 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10029 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10029 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8994 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10029 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10029 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10029 _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 'Guentert, P.' . . 10029 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10029 5 'structure solution' 10029 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 10029 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10029 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10029 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10029 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10029 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10029 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10029 _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 . . . . . . . . . 10029 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10029 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10029 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 10029 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10029 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10029 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 HA H 1 4.538 0.030 . 1 . . . . 6 SER HA . 10029 1 2 . 1 1 6 6 SER HB2 H 1 3.935 0.030 . 2 . . . . 6 SER HB2 . 10029 1 3 . 1 1 6 6 SER C C 13 175.208 0.300 . 1 . . . . 6 SER C . 10029 1 4 . 1 1 6 6 SER CA C 13 58.711 0.300 . 1 . . . . 6 SER CA . 10029 1 5 . 1 1 6 6 SER CB C 13 63.872 0.300 . 1 . . . . 6 SER CB . 10029 1 6 . 1 1 7 7 GLY H H 1 8.474 0.030 . 1 . . . . 7 GLY H . 10029 1 7 . 1 1 7 7 GLY HA2 H 1 4.023 0.030 . 1 . . . . 7 GLY HA2 . 10029 1 8 . 1 1 7 7 GLY HA3 H 1 4.023 0.030 . 1 . . . . 7 GLY HA3 . 10029 1 9 . 1 1 7 7 GLY C C 13 174.310 0.300 . 1 . . . . 7 GLY C . 10029 1 10 . 1 1 7 7 GLY CA C 13 45.622 0.300 . 1 . . . . 7 GLY CA . 10029 1 11 . 1 1 7 7 GLY N N 15 110.715 0.300 . 1 . . . . 7 GLY N . 10029 1 12 . 1 1 8 8 GLN H H 1 8.236 0.030 . 1 . . . . 8 GLN H . 10029 1 13 . 1 1 8 8 GLN HA H 1 4.394 0.030 . 1 . . . . 8 GLN HA . 10029 1 14 . 1 1 8 8 GLN HB2 H 1 2.089 0.030 . 2 . . . . 8 GLN HB2 . 10029 1 15 . 1 1 8 8 GLN HB3 H 1 1.933 0.030 . 2 . . . . 8 GLN HB3 . 10029 1 16 . 1 1 8 8 GLN HG2 H 1 2.302 0.030 . 2 . . . . 8 GLN HG2 . 10029 1 17 . 1 1 8 8 GLN HE21 H 1 7.586 0.030 . 2 . . . . 8 GLN HE21 . 10029 1 18 . 1 1 8 8 GLN HE22 H 1 6.895 0.030 . 2 . . . . 8 GLN HE22 . 10029 1 19 . 1 1 8 8 GLN C C 13 175.828 0.300 . 1 . . . . 8 GLN C . 10029 1 20 . 1 1 8 8 GLN CA C 13 55.816 0.300 . 1 . . . . 8 GLN CA . 10029 1 21 . 1 1 8 8 GLN CB C 13 29.687 0.300 . 1 . . . . 8 GLN CB . 10029 1 22 . 1 1 8 8 GLN CG C 13 33.931 0.300 . 1 . . . . 8 GLN CG . 10029 1 23 . 1 1 8 8 GLN N N 15 119.610 0.300 . 1 . . . . 8 GLN N . 10029 1 24 . 1 1 8 8 GLN NE2 N 15 112.527 0.300 . 1 . . . . 8 GLN NE2 . 10029 1 25 . 1 1 9 9 ASP H H 1 8.239 0.030 . 1 . . . . 9 ASP H . 10029 1 26 . 1 1 9 9 ASP HA H 1 4.496 0.030 . 1 . . . . 9 ASP HA . 10029 1 27 . 1 1 9 9 ASP HB2 H 1 2.415 0.030 . 2 . . . . 9 ASP HB2 . 10029 1 28 . 1 1 9 9 ASP HB3 H 1 2.310 0.030 . 2 . . . . 9 ASP HB3 . 10029 1 29 . 1 1 9 9 ASP C C 13 175.815 0.300 . 1 . . . . 9 ASP C . 10029 1 30 . 1 1 9 9 ASP CA C 13 55.461 0.300 . 1 . . . . 9 ASP CA . 10029 1 31 . 1 1 9 9 ASP CB C 13 41.299 0.300 . 1 . . . . 9 ASP CB . 10029 1 32 . 1 1 9 9 ASP N N 15 120.761 0.300 . 1 . . . . 9 ASP N . 10029 1 33 . 1 1 10 10 PHE H H 1 7.858 0.030 . 1 . . . . 10 PHE H . 10029 1 34 . 1 1 10 10 PHE HA H 1 4.866 0.030 . 1 . . . . 10 PHE HA . 10029 1 35 . 1 1 10 10 PHE HB2 H 1 2.999 0.030 . 2 . . . . 10 PHE HB2 . 10029 1 36 . 1 1 10 10 PHE HB3 H 1 2.791 0.030 . 2 . . . . 10 PHE HB3 . 10029 1 37 . 1 1 10 10 PHE HD1 H 1 7.238 0.030 . 1 . . . . 10 PHE HD1 . 10029 1 38 . 1 1 10 10 PHE HD2 H 1 7.238 0.030 . 1 . . . . 10 PHE HD2 . 10029 1 39 . 1 1 10 10 PHE HE1 H 1 7.438 0.030 . 1 . . . . 10 PHE HE1 . 10029 1 40 . 1 1 10 10 PHE HE2 H 1 7.438 0.030 . 1 . . . . 10 PHE HE2 . 10029 1 41 . 1 1 10 10 PHE HZ H 1 7.302 0.030 . 1 . . . . 10 PHE HZ . 10029 1 42 . 1 1 10 10 PHE CA C 13 57.379 0.300 . 1 . . . . 10 PHE CA . 10029 1 43 . 1 1 10 10 PHE CB C 13 40.519 0.300 . 1 . . . . 10 PHE CB . 10029 1 44 . 1 1 10 10 PHE CD1 C 13 131.922 0.300 . 1 . . . . 10 PHE CD1 . 10029 1 45 . 1 1 10 10 PHE CD2 C 13 131.922 0.300 . 1 . . . . 10 PHE CD2 . 10029 1 46 . 1 1 10 10 PHE CE1 C 13 131.764 0.300 . 1 . . . . 10 PHE CE1 . 10029 1 47 . 1 1 10 10 PHE CE2 C 13 131.764 0.300 . 1 . . . . 10 PHE CE2 . 10029 1 48 . 1 1 10 10 PHE CZ C 13 129.950 0.300 . 1 . . . . 10 PHE CZ . 10029 1 49 . 1 1 10 10 PHE N N 15 115.405 0.300 . 1 . . . . 10 PHE N . 10029 1 50 . 1 1 11 11 ASP H H 1 8.403 0.030 . 1 . . . . 11 ASP H . 10029 1 51 . 1 1 11 11 ASP HA H 1 4.791 0.030 . 1 . . . . 11 ASP HA . 10029 1 52 . 1 1 11 11 ASP HB2 H 1 2.698 0.030 . 2 . . . . 11 ASP HB2 . 10029 1 53 . 1 1 11 11 ASP HB3 H 1 2.559 0.030 . 2 . . . . 11 ASP HB3 . 10029 1 54 . 1 1 11 11 ASP CA C 13 54.435 0.300 . 1 . . . . 11 ASP CA . 10029 1 55 . 1 1 11 11 ASP CB C 13 42.178 0.300 . 1 . . . . 11 ASP CB . 10029 1 56 . 1 1 11 11 ASP N N 15 120.570 0.300 . 1 . . . . 11 ASP N . 10029 1 57 . 1 1 12 12 TYR H H 1 8.482 0.030 . 1 . . . . 12 TYR H . 10029 1 58 . 1 1 12 12 TYR HA H 1 5.308 0.030 . 1 . . . . 12 TYR HA . 10029 1 59 . 1 1 12 12 TYR HB2 H 1 2.433 0.030 . 2 . . . . 12 TYR HB2 . 10029 1 60 . 1 1 12 12 TYR HB3 H 1 2.250 0.030 . 2 . . . . 12 TYR HB3 . 10029 1 61 . 1 1 12 12 TYR HD1 H 1 6.420 0.030 . 1 . . . . 12 TYR HD1 . 10029 1 62 . 1 1 12 12 TYR HD2 H 1 6.420 0.030 . 1 . . . . 12 TYR HD2 . 10029 1 63 . 1 1 12 12 TYR HE1 H 1 6.225 0.030 . 1 . . . . 12 TYR HE1 . 10029 1 64 . 1 1 12 12 TYR HE2 H 1 6.225 0.030 . 1 . . . . 12 TYR HE2 . 10029 1 65 . 1 1 12 12 TYR CA C 13 56.570 0.300 . 1 . . . . 12 TYR CA . 10029 1 66 . 1 1 12 12 TYR CB C 13 40.454 0.300 . 1 . . . . 12 TYR CB . 10029 1 67 . 1 1 12 12 TYR CD1 C 13 132.531 0.300 . 1 . . . . 12 TYR CD1 . 10029 1 68 . 1 1 12 12 TYR CD2 C 13 132.531 0.300 . 1 . . . . 12 TYR CD2 . 10029 1 69 . 1 1 12 12 TYR CE1 C 13 117.285 0.300 . 1 . . . . 12 TYR CE1 . 10029 1 70 . 1 1 12 12 TYR CE2 C 13 117.285 0.300 . 1 . . . . 12 TYR CE2 . 10029 1 71 . 1 1 12 12 TYR N N 15 117.124 0.300 . 1 . . . . 12 TYR N . 10029 1 72 . 1 1 13 13 PHE H H 1 9.158 0.030 . 1 . . . . 13 PHE H . 10029 1 73 . 1 1 13 13 PHE HA H 1 4.751 0.030 . 1 . . . . 13 PHE HA . 10029 1 74 . 1 1 13 13 PHE HB2 H 1 3.134 0.030 . 2 . . . . 13 PHE HB2 . 10029 1 75 . 1 1 13 13 PHE HB3 H 1 2.981 0.030 . 2 . . . . 13 PHE HB3 . 10029 1 76 . 1 1 13 13 PHE HD1 H 1 6.787 0.030 . 1 . . . . 13 PHE HD1 . 10029 1 77 . 1 1 13 13 PHE HD2 H 1 6.787 0.030 . 1 . . . . 13 PHE HD2 . 10029 1 78 . 1 1 13 13 PHE HE1 H 1 6.740 0.030 . 1 . . . . 13 PHE HE1 . 10029 1 79 . 1 1 13 13 PHE HE2 H 1 6.740 0.030 . 1 . . . . 13 PHE HE2 . 10029 1 80 . 1 1 13 13 PHE HZ H 1 7.345 0.030 . 1 . . . . 13 PHE HZ . 10029 1 81 . 1 1 13 13 PHE CA C 13 52.777 0.300 . 1 . . . . 13 PHE CA . 10029 1 82 . 1 1 13 13 PHE CB C 13 40.862 0.300 . 1 . . . . 13 PHE CB . 10029 1 83 . 1 1 13 13 PHE CD1 C 13 132.332 0.300 . 1 . . . . 13 PHE CD1 . 10029 1 84 . 1 1 13 13 PHE CD2 C 13 132.332 0.300 . 1 . . . . 13 PHE CD2 . 10029 1 85 . 1 1 13 13 PHE CE1 C 13 130.667 0.300 . 1 . . . . 13 PHE CE1 . 10029 1 86 . 1 1 13 13 PHE CE2 C 13 130.667 0.300 . 1 . . . . 13 PHE CE2 . 10029 1 87 . 1 1 13 13 PHE CZ C 13 130.940 0.300 . 1 . . . . 13 PHE CZ . 10029 1 88 . 1 1 13 13 PHE N N 15 110.185 0.300 . 1 . . . . 13 PHE N . 10029 1 89 . 1 1 14 14 THR H H 1 8.372 0.030 . 1 . . . . 14 THR H . 10029 1 90 . 1 1 14 14 THR HA H 1 5.470 0.030 . 1 . . . . 14 THR HA . 10029 1 91 . 1 1 14 14 THR HB H 1 4.068 0.030 . 1 . . . . 14 THR HB . 10029 1 92 . 1 1 14 14 THR HG21 H 1 1.066 0.030 . 1 . . . . 14 THR HG2 . 10029 1 93 . 1 1 14 14 THR HG22 H 1 1.066 0.030 . 1 . . . . 14 THR HG2 . 10029 1 94 . 1 1 14 14 THR HG23 H 1 1.066 0.030 . 1 . . . . 14 THR HG2 . 10029 1 95 . 1 1 14 14 THR CA C 13 59.534 0.300 . 1 . . . . 14 THR CA . 10029 1 96 . 1 1 14 14 THR CB C 13 72.793 0.300 . 1 . . . . 14 THR CB . 10029 1 97 . 1 1 14 14 THR CG2 C 13 22.108 0.300 . 1 . . . . 14 THR CG2 . 10029 1 98 . 1 1 14 14 THR N N 15 116.352 0.300 . 1 . . . . 14 THR N . 10029 1 99 . 1 1 15 15 VAL H H 1 8.373 0.030 . 1 . . . . 15 VAL H . 10029 1 100 . 1 1 15 15 VAL HA H 1 4.382 0.030 . 1 . . . . 15 VAL HA . 10029 1 101 . 1 1 15 15 VAL HB H 1 1.730 0.030 . 1 . . . . 15 VAL HB . 10029 1 102 . 1 1 15 15 VAL HG11 H 1 0.908 0.030 . 1 . . . . 15 VAL HG1 . 10029 1 103 . 1 1 15 15 VAL HG12 H 1 0.908 0.030 . 1 . . . . 15 VAL HG1 . 10029 1 104 . 1 1 15 15 VAL HG13 H 1 0.908 0.030 . 1 . . . . 15 VAL HG1 . 10029 1 105 . 1 1 15 15 VAL HG21 H 1 0.908 0.030 . 1 . . . . 15 VAL HG2 . 10029 1 106 . 1 1 15 15 VAL HG22 H 1 0.908 0.030 . 1 . . . . 15 VAL HG2 . 10029 1 107 . 1 1 15 15 VAL HG23 H 1 0.908 0.030 . 1 . . . . 15 VAL HG2 . 10029 1 108 . 1 1 15 15 VAL C C 13 173.339 0.300 . 1 . . . . 15 VAL C . 10029 1 109 . 1 1 15 15 VAL CA C 13 61.335 0.300 . 1 . . . . 15 VAL CA . 10029 1 110 . 1 1 15 15 VAL CB C 13 36.665 0.300 . 1 . . . . 15 VAL CB . 10029 1 111 . 1 1 15 15 VAL CG1 C 13 22.296 0.300 . 1 . . . . 15 VAL CG1 . 10029 1 112 . 1 1 15 15 VAL CG2 C 13 22.296 0.300 . 1 . . . . 15 VAL CG2 . 10029 1 113 . 1 1 15 15 VAL N N 15 116.184 0.300 . 1 . . . . 15 VAL N . 10029 1 114 . 1 1 16 16 ASP H H 1 8.394 0.030 . 1 . . . . 16 ASP H . 10029 1 115 . 1 1 16 16 ASP HA H 1 5.497 0.030 . 1 . . . . 16 ASP HA . 10029 1 116 . 1 1 16 16 ASP HB2 H 1 2.690 0.030 . 2 . . . . 16 ASP HB2 . 10029 1 117 . 1 1 16 16 ASP HB3 H 1 2.400 0.030 . 2 . . . . 16 ASP HB3 . 10029 1 118 . 1 1 16 16 ASP C C 13 175.597 0.300 . 1 . . . . 16 ASP C . 10029 1 119 . 1 1 16 16 ASP CA C 13 53.185 0.300 . 1 . . . . 16 ASP CA . 10029 1 120 . 1 1 16 16 ASP CB C 13 43.360 0.300 . 1 . . . . 16 ASP CB . 10029 1 121 . 1 1 16 16 ASP N N 15 127.081 0.300 . 1 . . . . 16 ASP N . 10029 1 122 . 1 1 17 17 MET H H 1 8.638 0.030 . 1 . . . . 17 MET H . 10029 1 123 . 1 1 17 17 MET HA H 1 5.019 0.030 . 1 . . . . 17 MET HA . 10029 1 124 . 1 1 17 17 MET HB2 H 1 2.087 0.030 . 2 . . . . 17 MET HB2 . 10029 1 125 . 1 1 17 17 MET HB3 H 1 2.022 0.030 . 2 . . . . 17 MET HB3 . 10029 1 126 . 1 1 17 17 MET HG2 H 1 2.426 0.030 . 2 . . . . 17 MET HG2 . 10029 1 127 . 1 1 17 17 MET HE1 H 1 1.844 0.030 . 1 . . . . 17 MET HE . 10029 1 128 . 1 1 17 17 MET HE2 H 1 1.844 0.030 . 1 . . . . 17 MET HE . 10029 1 129 . 1 1 17 17 MET HE3 H 1 1.844 0.030 . 1 . . . . 17 MET HE . 10029 1 130 . 1 1 17 17 MET C C 13 173.582 0.300 . 1 . . . . 17 MET C . 10029 1 131 . 1 1 17 17 MET CA C 13 54.612 0.300 . 1 . . . . 17 MET CA . 10029 1 132 . 1 1 17 17 MET CB C 13 37.819 0.300 . 1 . . . . 17 MET CB . 10029 1 133 . 1 1 17 17 MET CG C 13 31.949 0.300 . 1 . . . . 17 MET CG . 10029 1 134 . 1 1 17 17 MET CE C 13 17.905 0.300 . 1 . . . . 17 MET CE . 10029 1 135 . 1 1 17 17 MET N N 15 120.000 0.300 . 1 . . . . 17 MET N . 10029 1 136 . 1 1 18 18 GLU H H 1 8.588 0.030 . 1 . . . . 18 GLU H . 10029 1 137 . 1 1 18 18 GLU HA H 1 5.330 0.030 . 1 . . . . 18 GLU HA . 10029 1 138 . 1 1 18 18 GLU HB2 H 1 2.077 0.030 . 2 . . . . 18 GLU HB2 . 10029 1 139 . 1 1 18 18 GLU HB3 H 1 1.987 0.030 . 2 . . . . 18 GLU HB3 . 10029 1 140 . 1 1 18 18 GLU HG2 H 1 2.389 0.030 . 1 . . . . 18 GLU HG2 . 10029 1 141 . 1 1 18 18 GLU HG3 H 1 2.389 0.030 . 1 . . . . 18 GLU HG3 . 10029 1 142 . 1 1 18 18 GLU C C 13 176.070 0.300 . 1 . . . . 18 GLU C . 10029 1 143 . 1 1 18 18 GLU CA C 13 54.540 0.300 . 1 . . . . 18 GLU CA . 10029 1 144 . 1 1 18 18 GLU CB C 13 32.229 0.300 . 1 . . . . 18 GLU CB . 10029 1 145 . 1 1 18 18 GLU CG C 13 36.859 0.300 . 1 . . . . 18 GLU CG . 10029 1 146 . 1 1 18 18 GLU N N 15 121.401 0.300 . 1 . . . . 18 GLU N . 10029 1 147 . 1 1 19 19 LYS H H 1 8.510 0.030 . 1 . . . . 19 LYS H . 10029 1 148 . 1 1 19 19 LYS HA H 1 3.237 0.030 . 1 . . . . 19 LYS HA . 10029 1 149 . 1 1 19 19 LYS HB2 H 1 1.126 0.030 . 1 . . . . 19 LYS HB2 . 10029 1 150 . 1 1 19 19 LYS HB3 H 1 1.126 0.030 . 1 . . . . 19 LYS HB3 . 10029 1 151 . 1 1 19 19 LYS HG2 H 1 1.288 0.030 . 2 . . . . 19 LYS HG2 . 10029 1 152 . 1 1 19 19 LYS HG3 H 1 0.207 0.030 . 2 . . . . 19 LYS HG3 . 10029 1 153 . 1 1 19 19 LYS HD2 H 1 1.366 0.030 . 1 . . . . 19 LYS HD2 . 10029 1 154 . 1 1 19 19 LYS HD3 H 1 1.366 0.030 . 1 . . . . 19 LYS HD3 . 10029 1 155 . 1 1 19 19 LYS HE2 H 1 2.714 0.030 . 1 . . . . 19 LYS HE2 . 10029 1 156 . 1 1 19 19 LYS HE3 H 1 2.714 0.030 . 1 . . . . 19 LYS HE3 . 10029 1 157 . 1 1 19 19 LYS C C 13 176.605 0.300 . 1 . . . . 19 LYS C . 10029 1 158 . 1 1 19 19 LYS CA C 13 57.790 0.300 . 1 . . . . 19 LYS CA . 10029 1 159 . 1 1 19 19 LYS CB C 13 33.226 0.300 . 1 . . . . 19 LYS CB . 10029 1 160 . 1 1 19 19 LYS CG C 13 24.173 0.300 . 1 . . . . 19 LYS CG . 10029 1 161 . 1 1 19 19 LYS CD C 13 29.452 0.300 . 1 . . . . 19 LYS CD . 10029 1 162 . 1 1 19 19 LYS CE C 13 41.777 0.300 . 1 . . . . 19 LYS CE . 10029 1 163 . 1 1 19 19 LYS N N 15 123.416 0.300 . 1 . . . . 19 LYS N . 10029 1 164 . 1 1 20 20 GLY H H 1 7.206 0.030 . 1 . . . . 20 GLY H . 10029 1 165 . 1 1 20 20 GLY HA2 H 1 4.584 0.030 . 2 . . . . 20 GLY HA2 . 10029 1 166 . 1 1 20 20 GLY HA3 H 1 3.823 0.030 . 2 . . . . 20 GLY HA3 . 10029 1 167 . 1 1 20 20 GLY C C 13 175.038 0.300 . 1 . . . . 20 GLY C . 10029 1 168 . 1 1 20 20 GLY CA C 13 43.914 0.300 . 1 . . . . 20 GLY CA . 10029 1 169 . 1 1 20 20 GLY N N 15 111.126 0.300 . 1 . . . . 20 GLY N . 10029 1 170 . 1 1 21 21 ALA H H 1 8.787 0.030 . 1 . . . . 21 ALA H . 10029 1 171 . 1 1 21 21 ALA HA H 1 4.078 0.030 . 1 . . . . 21 ALA HA . 10029 1 172 . 1 1 21 21 ALA HB1 H 1 1.461 0.030 . 1 . . . . 21 ALA HB . 10029 1 173 . 1 1 21 21 ALA HB2 H 1 1.461 0.030 . 1 . . . . 21 ALA HB . 10029 1 174 . 1 1 21 21 ALA HB3 H 1 1.461 0.030 . 1 . . . . 21 ALA HB . 10029 1 175 . 1 1 21 21 ALA C C 13 179.263 0.300 . 1 . . . . 21 ALA C . 10029 1 176 . 1 1 21 21 ALA CA C 13 55.020 0.300 . 1 . . . . 21 ALA CA . 10029 1 177 . 1 1 21 21 ALA CB C 13 18.772 0.300 . 1 . . . . 21 ALA CB . 10029 1 178 . 1 1 21 21 ALA N N 15 124.064 0.300 . 1 . . . . 21 ALA N . 10029 1 179 . 1 1 22 22 LYS H H 1 8.440 0.030 . 1 . . . . 22 LYS H . 10029 1 180 . 1 1 22 22 LYS HA H 1 4.527 0.030 . 1 . . . . 22 LYS HA . 10029 1 181 . 1 1 22 22 LYS HB2 H 1 2.031 0.030 . 2 . . . . 22 LYS HB2 . 10029 1 182 . 1 1 22 22 LYS HB3 H 1 1.609 0.030 . 2 . . . . 22 LYS HB3 . 10029 1 183 . 1 1 22 22 LYS HG2 H 1 1.361 0.030 . 2 . . . . 22 LYS HG2 . 10029 1 184 . 1 1 22 22 LYS HG3 H 1 1.314 0.030 . 2 . . . . 22 LYS HG3 . 10029 1 185 . 1 1 22 22 LYS HD2 H 1 1.662 0.030 . 1 . . . . 22 LYS HD2 . 10029 1 186 . 1 1 22 22 LYS HD3 H 1 1.662 0.030 . 1 . . . . 22 LYS HD3 . 10029 1 187 . 1 1 22 22 LYS HE2 H 1 2.960 0.030 . 1 . . . . 22 LYS HE2 . 10029 1 188 . 1 1 22 22 LYS HE3 H 1 2.960 0.030 . 1 . . . . 22 LYS HE3 . 10029 1 189 . 1 1 22 22 LYS C C 13 176.459 0.300 . 1 . . . . 22 LYS C . 10029 1 190 . 1 1 22 22 LYS CA C 13 54.698 0.300 . 1 . . . . 22 LYS CA . 10029 1 191 . 1 1 22 22 LYS CB C 13 32.217 0.300 . 1 . . . . 22 LYS CB . 10029 1 192 . 1 1 22 22 LYS CG C 13 25.039 0.300 . 1 . . . . 22 LYS CG . 10029 1 193 . 1 1 22 22 LYS CD C 13 29.144 0.300 . 1 . . . . 22 LYS CD . 10029 1 194 . 1 1 22 22 LYS CE C 13 42.192 0.300 . 1 . . . . 22 LYS CE . 10029 1 195 . 1 1 22 22 LYS N N 15 114.862 0.300 . 1 . . . . 22 LYS N . 10029 1 196 . 1 1 23 23 GLY H H 1 7.459 0.030 . 1 . . . . 23 GLY H . 10029 1 197 . 1 1 23 23 GLY HA2 H 1 4.557 0.030 . 2 . . . . 23 GLY HA2 . 10029 1 198 . 1 1 23 23 GLY HA3 H 1 3.306 0.030 . 2 . . . . 23 GLY HA3 . 10029 1 199 . 1 1 23 23 GLY C C 13 175.087 0.300 . 1 . . . . 23 GLY C . 10029 1 200 . 1 1 23 23 GLY CA C 13 44.773 0.300 . 1 . . . . 23 GLY CA . 10029 1 201 . 1 1 23 23 GLY N N 15 106.929 0.300 . 1 . . . . 23 GLY N . 10029 1 202 . 1 1 24 24 PHE H H 1 9.181 0.030 . 1 . . . . 24 PHE H . 10029 1 203 . 1 1 24 24 PHE HA H 1 4.496 0.030 . 1 . . . . 24 PHE HA . 10029 1 204 . 1 1 24 24 PHE HB2 H 1 3.548 0.030 . 2 . . . . 24 PHE HB2 . 10029 1 205 . 1 1 24 24 PHE HB3 H 1 2.853 0.030 . 2 . . . . 24 PHE HB3 . 10029 1 206 . 1 1 24 24 PHE HD1 H 1 7.107 0.030 . 1 . . . . 24 PHE HD1 . 10029 1 207 . 1 1 24 24 PHE HD2 H 1 7.107 0.030 . 1 . . . . 24 PHE HD2 . 10029 1 208 . 1 1 24 24 PHE HE1 H 1 7.397 0.030 . 1 . . . . 24 PHE HE1 . 10029 1 209 . 1 1 24 24 PHE HE2 H 1 7.397 0.030 . 1 . . . . 24 PHE HE2 . 10029 1 210 . 1 1 24 24 PHE HZ H 1 7.132 0.030 . 1 . . . . 24 PHE HZ . 10029 1 211 . 1 1 24 24 PHE C C 13 175.427 0.300 . 1 . . . . 24 PHE C . 10029 1 212 . 1 1 24 24 PHE CA C 13 60.647 0.300 . 1 . . . . 24 PHE CA . 10029 1 213 . 1 1 24 24 PHE CB C 13 40.559 0.300 . 1 . . . . 24 PHE CB . 10029 1 214 . 1 1 24 24 PHE CD1 C 13 131.077 0.300 . 1 . . . . 24 PHE CD1 . 10029 1 215 . 1 1 24 24 PHE CD2 C 13 131.077 0.300 . 1 . . . . 24 PHE CD2 . 10029 1 216 . 1 1 24 24 PHE CE1 C 13 132.721 0.300 . 1 . . . . 24 PHE CE1 . 10029 1 217 . 1 1 24 24 PHE CE2 C 13 132.721 0.300 . 1 . . . . 24 PHE CE2 . 10029 1 218 . 1 1 24 24 PHE CZ C 13 130.311 0.300 . 1 . . . . 24 PHE CZ . 10029 1 219 . 1 1 24 24 PHE N N 15 120.526 0.300 . 1 . . . . 24 PHE N . 10029 1 220 . 1 1 25 25 GLY H H 1 8.816 0.030 . 1 . . . . 25 GLY H . 10029 1 221 . 1 1 25 25 GLY HA2 H 1 4.146 0.030 . 2 . . . . 25 GLY HA2 . 10029 1 222 . 1 1 25 25 GLY HA3 H 1 4.067 0.030 . 2 . . . . 25 GLY HA3 . 10029 1 223 . 1 1 25 25 GLY C C 13 175.451 0.300 . 1 . . . . 25 GLY C . 10029 1 224 . 1 1 25 25 GLY CA C 13 47.377 0.300 . 1 . . . . 25 GLY CA . 10029 1 225 . 1 1 25 25 GLY N N 15 105.316 0.300 . 1 . . . . 25 GLY N . 10029 1 226 . 1 1 26 26 PHE H H 1 7.474 0.030 . 1 . . . . 26 PHE H . 10029 1 227 . 1 1 26 26 PHE HA H 1 5.694 0.030 . 1 . . . . 26 PHE HA . 10029 1 228 . 1 1 26 26 PHE HB2 H 1 3.123 0.030 . 2 . . . . 26 PHE HB2 . 10029 1 229 . 1 1 26 26 PHE HB3 H 1 2.968 0.030 . 2 . . . . 26 PHE HB3 . 10029 1 230 . 1 1 26 26 PHE HD1 H 1 6.952 0.030 . 1 . . . . 26 PHE HD1 . 10029 1 231 . 1 1 26 26 PHE HD2 H 1 6.952 0.030 . 1 . . . . 26 PHE HD2 . 10029 1 232 . 1 1 26 26 PHE HE1 H 1 6.856 0.030 . 1 . . . . 26 PHE HE1 . 10029 1 233 . 1 1 26 26 PHE HE2 H 1 6.856 0.030 . 1 . . . . 26 PHE HE2 . 10029 1 234 . 1 1 26 26 PHE HZ H 1 6.846 0.030 . 1 . . . . 26 PHE HZ . 10029 1 235 . 1 1 26 26 PHE C C 13 172.247 0.300 . 1 . . . . 26 PHE C . 10029 1 236 . 1 1 26 26 PHE CA C 13 56.148 0.300 . 1 . . . . 26 PHE CA . 10029 1 237 . 1 1 26 26 PHE CB C 13 42.371 0.300 . 1 . . . . 26 PHE CB . 10029 1 238 . 1 1 26 26 PHE CD1 C 13 132.211 0.300 . 1 . . . . 26 PHE CD1 . 10029 1 239 . 1 1 26 26 PHE CD2 C 13 132.211 0.300 . 1 . . . . 26 PHE CD2 . 10029 1 240 . 1 1 26 26 PHE CE1 C 13 130.308 0.300 . 1 . . . . 26 PHE CE1 . 10029 1 241 . 1 1 26 26 PHE CE2 C 13 130.308 0.300 . 1 . . . . 26 PHE CE2 . 10029 1 242 . 1 1 26 26 PHE CZ C 13 129.001 0.300 . 1 . . . . 26 PHE CZ . 10029 1 243 . 1 1 26 26 PHE N N 15 115.567 0.300 . 1 . . . . 26 PHE N . 10029 1 244 . 1 1 27 27 SER H H 1 8.653 0.030 . 1 . . . . 27 SER H . 10029 1 245 . 1 1 27 27 SER HA H 1 4.993 0.030 . 1 . . . . 27 SER HA . 10029 1 246 . 1 1 27 27 SER HB2 H 1 4.009 0.030 . 2 . . . . 27 SER HB2 . 10029 1 247 . 1 1 27 27 SER HB3 H 1 3.859 0.030 . 2 . . . . 27 SER HB3 . 10029 1 248 . 1 1 27 27 SER C C 13 174.420 0.300 . 1 . . . . 27 SER C . 10029 1 249 . 1 1 27 27 SER CA C 13 55.649 0.300 . 1 . . . . 27 SER CA . 10029 1 250 . 1 1 27 27 SER CB C 13 66.265 0.300 . 1 . . . . 27 SER CB . 10029 1 251 . 1 1 27 27 SER N N 15 115.752 0.300 . 1 . . . . 27 SER N . 10029 1 252 . 1 1 28 28 ILE H H 1 9.129 0.030 . 1 . . . . 28 ILE H . 10029 1 253 . 1 1 28 28 ILE HA H 1 5.260 0.030 . 1 . . . . 28 ILE HA . 10029 1 254 . 1 1 28 28 ILE HB H 1 1.705 0.030 . 1 . . . . 28 ILE HB . 10029 1 255 . 1 1 28 28 ILE HG12 H 1 1.305 0.030 . 2 . . . . 28 ILE HG12 . 10029 1 256 . 1 1 28 28 ILE HG13 H 1 0.943 0.030 . 2 . . . . 28 ILE HG13 . 10029 1 257 . 1 1 28 28 ILE HG21 H 1 0.836 0.030 . 1 . . . . 28 ILE HG2 . 10029 1 258 . 1 1 28 28 ILE HG22 H 1 0.836 0.030 . 1 . . . . 28 ILE HG2 . 10029 1 259 . 1 1 28 28 ILE HG23 H 1 0.836 0.030 . 1 . . . . 28 ILE HG2 . 10029 1 260 . 1 1 28 28 ILE HD11 H 1 0.542 0.030 . 1 . . . . 28 ILE HD1 . 10029 1 261 . 1 1 28 28 ILE HD12 H 1 0.542 0.030 . 1 . . . . 28 ILE HD1 . 10029 1 262 . 1 1 28 28 ILE HD13 H 1 0.542 0.030 . 1 . . . . 28 ILE HD1 . 10029 1 263 . 1 1 28 28 ILE C C 13 174.371 0.300 . 1 . . . . 28 ILE C . 10029 1 264 . 1 1 28 28 ILE CA C 13 60.401 0.300 . 1 . . . . 28 ILE CA . 10029 1 265 . 1 1 28 28 ILE CB C 13 42.161 0.300 . 1 . . . . 28 ILE CB . 10029 1 266 . 1 1 28 28 ILE CG1 C 13 26.463 0.300 . 1 . . . . 28 ILE CG1 . 10029 1 267 . 1 1 28 28 ILE CG2 C 13 18.854 0.300 . 1 . . . . 28 ILE CG2 . 10029 1 268 . 1 1 28 28 ILE CD1 C 13 14.318 0.300 . 1 . . . . 28 ILE CD1 . 10029 1 269 . 1 1 28 28 ILE N N 15 119.506 0.300 . 1 . . . . 28 ILE N . 10029 1 270 . 1 1 29 29 ARG H H 1 9.370 0.030 . 1 . . . . 29 ARG H . 10029 1 271 . 1 1 29 29 ARG HA H 1 4.975 0.030 . 1 . . . . 29 ARG HA . 10029 1 272 . 1 1 29 29 ARG HB2 H 1 1.907 0.030 . 2 . . . . 29 ARG HB2 . 10029 1 273 . 1 1 29 29 ARG HB3 H 1 1.765 0.030 . 2 . . . . 29 ARG HB3 . 10029 1 274 . 1 1 29 29 ARG HG2 H 1 1.635 0.030 . 2 . . . . 29 ARG HG2 . 10029 1 275 . 1 1 29 29 ARG HG3 H 1 1.484 0.030 . 2 . . . . 29 ARG HG3 . 10029 1 276 . 1 1 29 29 ARG HD2 H 1 3.177 0.030 . 2 . . . . 29 ARG HD2 . 10029 1 277 . 1 1 29 29 ARG HD3 H 1 3.100 0.030 . 2 . . . . 29 ARG HD3 . 10029 1 278 . 1 1 29 29 ARG C C 13 174.140 0.300 . 1 . . . . 29 ARG C . 10029 1 279 . 1 1 29 29 ARG CA C 13 54.003 0.300 . 1 . . . . 29 ARG CA . 10029 1 280 . 1 1 29 29 ARG CB C 13 34.004 0.300 . 1 . . . . 29 ARG CB . 10029 1 281 . 1 1 29 29 ARG CG C 13 27.496 0.300 . 1 . . . . 29 ARG CG . 10029 1 282 . 1 1 29 29 ARG CD C 13 43.264 0.300 . 1 . . . . 29 ARG CD . 10029 1 283 . 1 1 29 29 ARG N N 15 122.611 0.300 . 1 . . . . 29 ARG N . 10029 1 284 . 1 1 30 30 GLY H H 1 8.765 0.030 . 1 . . . . 30 GLY H . 10029 1 285 . 1 1 30 30 GLY HA2 H 1 5.695 0.030 . 2 . . . . 30 GLY HA2 . 10029 1 286 . 1 1 30 30 GLY HA3 H 1 3.818 0.030 . 2 . . . . 30 GLY HA3 . 10029 1 287 . 1 1 30 30 GLY C C 13 173.849 0.300 . 1 . . . . 30 GLY C . 10029 1 288 . 1 1 30 30 GLY CA C 13 44.260 0.300 . 1 . . . . 30 GLY CA . 10029 1 289 . 1 1 30 30 GLY N N 15 110.010 0.300 . 1 . . . . 30 GLY N . 10029 1 290 . 1 1 31 31 GLY H H 1 7.189 0.030 . 1 . . . . 31 GLY H . 10029 1 291 . 1 1 31 31 GLY HA2 H 1 5.123 0.030 . 2 . . . . 31 GLY HA2 . 10029 1 292 . 1 1 31 31 GLY HA3 H 1 3.865 0.030 . 2 . . . . 31 GLY HA3 . 10029 1 293 . 1 1 31 31 GLY C C 13 177.066 0.300 . 1 . . . . 31 GLY C . 10029 1 294 . 1 1 31 31 GLY CA C 13 43.945 0.300 . 1 . . . . 31 GLY CA . 10029 1 295 . 1 1 31 31 GLY N N 15 106.451 0.300 . 1 . . . . 31 GLY N . 10029 1 296 . 1 1 32 32 ARG H H 1 8.347 0.030 . 1 . . . . 32 ARG H . 10029 1 297 . 1 1 32 32 ARG HA H 1 4.130 0.030 . 1 . . . . 32 ARG HA . 10029 1 298 . 1 1 32 32 ARG HB2 H 1 1.624 0.030 . 2 . . . . 32 ARG HB2 . 10029 1 299 . 1 1 32 32 ARG HB3 H 1 1.501 0.030 . 2 . . . . 32 ARG HB3 . 10029 1 300 . 1 1 32 32 ARG HG2 H 1 1.731 0.030 . 2 . . . . 32 ARG HG2 . 10029 1 301 . 1 1 32 32 ARG HG3 H 1 1.689 0.030 . 2 . . . . 32 ARG HG3 . 10029 1 302 . 1 1 32 32 ARG HD2 H 1 3.232 0.030 . 2 . . . . 32 ARG HD2 . 10029 1 303 . 1 1 32 32 ARG HD3 H 1 3.153 0.030 . 2 . . . . 32 ARG HD3 . 10029 1 304 . 1 1 32 32 ARG C C 13 178.874 0.300 . 1 . . . . 32 ARG C . 10029 1 305 . 1 1 32 32 ARG CA C 13 59.657 0.300 . 1 . . . . 32 ARG CA . 10029 1 306 . 1 1 32 32 ARG CB C 13 30.780 0.300 . 1 . . . . 32 ARG CB . 10029 1 307 . 1 1 32 32 ARG CG C 13 26.276 0.300 . 1 . . . . 32 ARG CG . 10029 1 308 . 1 1 32 32 ARG CD C 13 43.347 0.300 . 1 . . . . 32 ARG CD . 10029 1 309 . 1 1 32 32 ARG N N 15 122.629 0.300 . 1 . . . . 32 ARG N . 10029 1 310 . 1 1 33 33 GLU H H 1 11.693 0.030 . 1 . . . . 33 GLU H . 10029 1 311 . 1 1 33 33 GLU HA H 1 4.147 0.030 . 1 . . . . 33 GLU HA . 10029 1 312 . 1 1 33 33 GLU HB2 H 1 1.734 0.030 . 2 . . . . 33 GLU HB2 . 10029 1 313 . 1 1 33 33 GLU HB3 H 1 1.599 0.030 . 2 . . . . 33 GLU HB3 . 10029 1 314 . 1 1 33 33 GLU HG2 H 1 2.139 0.030 . 2 . . . . 33 GLU HG2 . 10029 1 315 . 1 1 33 33 GLU HG3 H 1 1.750 0.030 . 2 . . . . 33 GLU HG3 . 10029 1 316 . 1 1 33 33 GLU C C 13 176.932 0.300 . 1 . . . . 33 GLU C . 10029 1 317 . 1 1 33 33 GLU CA C 13 59.630 0.300 . 1 . . . . 33 GLU CA . 10029 1 318 . 1 1 33 33 GLU CB C 13 27.937 0.300 . 1 . . . . 33 GLU CB . 10029 1 319 . 1 1 33 33 GLU CG C 13 36.489 0.300 . 1 . . . . 33 GLU CG . 10029 1 320 . 1 1 33 33 GLU N N 15 123.658 0.300 . 1 . . . . 33 GLU N . 10029 1 321 . 1 1 34 34 TYR H H 1 7.974 0.030 . 1 . . . . 34 TYR H . 10029 1 322 . 1 1 34 34 TYR HA H 1 4.686 0.030 . 1 . . . . 34 TYR HA . 10029 1 323 . 1 1 34 34 TYR HB2 H 1 3.565 0.030 . 2 . . . . 34 TYR HB2 . 10029 1 324 . 1 1 34 34 TYR HB3 H 1 2.672 0.030 . 2 . . . . 34 TYR HB3 . 10029 1 325 . 1 1 34 34 TYR HD1 H 1 7.078 0.030 . 1 . . . . 34 TYR HD1 . 10029 1 326 . 1 1 34 34 TYR HD2 H 1 7.078 0.030 . 1 . . . . 34 TYR HD2 . 10029 1 327 . 1 1 34 34 TYR HE1 H 1 6.687 0.030 . 1 . . . . 34 TYR HE1 . 10029 1 328 . 1 1 34 34 TYR HE2 H 1 6.687 0.030 . 1 . . . . 34 TYR HE2 . 10029 1 329 . 1 1 34 34 TYR C C 13 174.614 0.300 . 1 . . . . 34 TYR C . 10029 1 330 . 1 1 34 34 TYR CA C 13 56.599 0.300 . 1 . . . . 34 TYR CA . 10029 1 331 . 1 1 34 34 TYR CB C 13 39.012 0.300 . 1 . . . . 34 TYR CB . 10029 1 332 . 1 1 34 34 TYR CD1 C 13 133.259 0.300 . 1 . . . . 34 TYR CD1 . 10029 1 333 . 1 1 34 34 TYR CD2 C 13 133.259 0.300 . 1 . . . . 34 TYR CD2 . 10029 1 334 . 1 1 34 34 TYR CE1 C 13 118.314 0.300 . 1 . . . . 34 TYR CE1 . 10029 1 335 . 1 1 34 34 TYR CE2 C 13 118.314 0.300 . 1 . . . . 34 TYR CE2 . 10029 1 336 . 1 1 34 34 TYR N N 15 118.547 0.300 . 1 . . . . 34 TYR N . 10029 1 337 . 1 1 35 35 LYS H H 1 8.275 0.030 . 1 . . . . 35 LYS H . 10029 1 338 . 1 1 35 35 LYS HA H 1 3.949 0.030 . 1 . . . . 35 LYS HA . 10029 1 339 . 1 1 35 35 LYS HB2 H 1 2.098 0.030 . 2 . . . . 35 LYS HB2 . 10029 1 340 . 1 1 35 35 LYS HB3 H 1 2.033 0.030 . 2 . . . . 35 LYS HB3 . 10029 1 341 . 1 1 35 35 LYS HG2 H 1 1.431 0.030 . 1 . . . . 35 LYS HG2 . 10029 1 342 . 1 1 35 35 LYS HG3 H 1 1.431 0.030 . 1 . . . . 35 LYS HG3 . 10029 1 343 . 1 1 35 35 LYS HD2 H 1 1.771 0.030 . 2 . . . . 35 LYS HD2 . 10029 1 344 . 1 1 35 35 LYS HD3 H 1 1.721 0.030 . 2 . . . . 35 LYS HD3 . 10029 1 345 . 1 1 35 35 LYS HE2 H 1 3.046 0.030 . 1 . . . . 35 LYS HE2 . 10029 1 346 . 1 1 35 35 LYS HE3 H 1 3.046 0.030 . 1 . . . . 35 LYS HE3 . 10029 1 347 . 1 1 35 35 LYS C C 13 175.014 0.300 . 1 . . . . 35 LYS C . 10029 1 348 . 1 1 35 35 LYS CA C 13 57.195 0.300 . 1 . . . . 35 LYS CA . 10029 1 349 . 1 1 35 35 LYS CB C 13 29.336 0.300 . 1 . . . . 35 LYS CB . 10029 1 350 . 1 1 35 35 LYS CG C 13 25.344 0.300 . 1 . . . . 35 LYS CG . 10029 1 351 . 1 1 35 35 LYS CD C 13 29.296 0.300 . 1 . . . . 35 LYS CD . 10029 1 352 . 1 1 35 35 LYS CE C 13 42.336 0.300 . 1 . . . . 35 LYS CE . 10029 1 353 . 1 1 35 35 LYS N N 15 116.332 0.300 . 1 . . . . 35 LYS N . 10029 1 354 . 1 1 36 36 MET H H 1 7.466 0.030 . 1 . . . . 36 MET H . 10029 1 355 . 1 1 36 36 MET HA H 1 4.914 0.030 . 1 . . . . 36 MET HA . 10029 1 356 . 1 1 36 36 MET HB2 H 1 2.578 0.030 . 2 . . . . 36 MET HB2 . 10029 1 357 . 1 1 36 36 MET HB3 H 1 2.134 0.030 . 2 . . . . 36 MET HB3 . 10029 1 358 . 1 1 36 36 MET HG2 H 1 2.957 0.030 . 2 . . . . 36 MET HG2 . 10029 1 359 . 1 1 36 36 MET HG3 H 1 2.814 0.030 . 2 . . . . 36 MET HG3 . 10029 1 360 . 1 1 36 36 MET HE1 H 1 2.198 0.030 . 1 . . . . 36 MET HE . 10029 1 361 . 1 1 36 36 MET HE2 H 1 2.198 0.030 . 1 . . . . 36 MET HE . 10029 1 362 . 1 1 36 36 MET HE3 H 1 2.198 0.030 . 1 . . . . 36 MET HE . 10029 1 363 . 1 1 36 36 MET C C 13 176.422 0.300 . 1 . . . . 36 MET C . 10029 1 364 . 1 1 36 36 MET CA C 13 55.051 0.300 . 1 . . . . 36 MET CA . 10029 1 365 . 1 1 36 36 MET CB C 13 38.955 0.300 . 1 . . . . 36 MET CB . 10029 1 366 . 1 1 36 36 MET CG C 13 31.639 0.300 . 1 . . . . 36 MET CG . 10029 1 367 . 1 1 36 36 MET CE C 13 16.847 0.300 . 1 . . . . 36 MET CE . 10029 1 368 . 1 1 36 36 MET N N 15 115.541 0.300 . 1 . . . . 36 MET N . 10029 1 369 . 1 1 37 37 ASP H H 1 8.266 0.030 . 1 . . . . 37 ASP H . 10029 1 370 . 1 1 37 37 ASP HA H 1 4.781 0.030 . 1 . . . . 37 ASP HA . 10029 1 371 . 1 1 37 37 ASP HB2 H 1 2.880 0.030 . 2 . . . . 37 ASP HB2 . 10029 1 372 . 1 1 37 37 ASP HB3 H 1 2.335 0.030 . 2 . . . . 37 ASP HB3 . 10029 1 373 . 1 1 37 37 ASP C C 13 172.927 0.300 . 1 . . . . 37 ASP C . 10029 1 374 . 1 1 37 37 ASP CA C 13 55.086 0.300 . 1 . . . . 37 ASP CA . 10029 1 375 . 1 1 37 37 ASP CB C 13 40.443 0.300 . 1 . . . . 37 ASP CB . 10029 1 376 . 1 1 37 37 ASP N N 15 121.565 0.300 . 1 . . . . 37 ASP N . 10029 1 377 . 1 1 38 38 LEU H H 1 8.106 0.030 . 1 . . . . 38 LEU H . 10029 1 378 . 1 1 38 38 LEU HA H 1 5.205 0.030 . 1 . . . . 38 LEU HA . 10029 1 379 . 1 1 38 38 LEU HB2 H 1 1.764 0.030 . 2 . . . . 38 LEU HB2 . 10029 1 380 . 1 1 38 38 LEU HB3 H 1 1.124 0.030 . 2 . . . . 38 LEU HB3 . 10029 1 381 . 1 1 38 38 LEU HG H 1 1.670 0.030 . 1 . . . . 38 LEU HG . 10029 1 382 . 1 1 38 38 LEU HD11 H 1 0.876 0.030 . 1 . . . . 38 LEU HD1 . 10029 1 383 . 1 1 38 38 LEU HD12 H 1 0.876 0.030 . 1 . . . . 38 LEU HD1 . 10029 1 384 . 1 1 38 38 LEU HD13 H 1 0.876 0.030 . 1 . . . . 38 LEU HD1 . 10029 1 385 . 1 1 38 38 LEU HD21 H 1 0.689 0.030 . 1 . . . . 38 LEU HD2 . 10029 1 386 . 1 1 38 38 LEU HD22 H 1 0.689 0.030 . 1 . . . . 38 LEU HD2 . 10029 1 387 . 1 1 38 38 LEU HD23 H 1 0.689 0.030 . 1 . . . . 38 LEU HD2 . 10029 1 388 . 1 1 38 38 LEU C C 13 176.082 0.300 . 1 . . . . 38 LEU C . 10029 1 389 . 1 1 38 38 LEU CA C 13 54.382 0.300 . 1 . . . . 38 LEU CA . 10029 1 390 . 1 1 38 38 LEU CB C 13 45.983 0.300 . 1 . . . . 38 LEU CB . 10029 1 391 . 1 1 38 38 LEU CG C 13 27.493 0.300 . 1 . . . . 38 LEU CG . 10029 1 392 . 1 1 38 38 LEU CD1 C 13 27.292 0.300 . 2 . . . . 38 LEU CD1 . 10029 1 393 . 1 1 38 38 LEU CD2 C 13 24.709 0.300 . 2 . . . . 38 LEU CD2 . 10029 1 394 . 1 1 38 38 LEU N N 15 117.387 0.300 . 1 . . . . 38 LEU N . 10029 1 395 . 1 1 39 39 TYR H H 1 8.969 0.030 . 1 . . . . 39 TYR H . 10029 1 396 . 1 1 39 39 TYR HA H 1 5.517 0.030 . 1 . . . . 39 TYR HA . 10029 1 397 . 1 1 39 39 TYR HB2 H 1 2.769 0.030 . 2 . . . . 39 TYR HB2 . 10029 1 398 . 1 1 39 39 TYR HB3 H 1 2.446 0.030 . 2 . . . . 39 TYR HB3 . 10029 1 399 . 1 1 39 39 TYR HD1 H 1 6.915 0.030 . 1 . . . . 39 TYR HD1 . 10029 1 400 . 1 1 39 39 TYR HD2 H 1 6.915 0.030 . 1 . . . . 39 TYR HD2 . 10029 1 401 . 1 1 39 39 TYR HE1 H 1 6.715 0.030 . 1 . . . . 39 TYR HE1 . 10029 1 402 . 1 1 39 39 TYR HE2 H 1 6.715 0.030 . 1 . . . . 39 TYR HE2 . 10029 1 403 . 1 1 39 39 TYR C C 13 176.058 0.300 . 1 . . . . 39 TYR C . 10029 1 404 . 1 1 39 39 TYR CA C 13 55.755 0.300 . 1 . . . . 39 TYR CA . 10029 1 405 . 1 1 39 39 TYR CB C 13 43.584 0.300 . 1 . . . . 39 TYR CB . 10029 1 406 . 1 1 39 39 TYR CD1 C 13 133.745 0.300 . 1 . . . . 39 TYR CD1 . 10029 1 407 . 1 1 39 39 TYR CD2 C 13 133.745 0.300 . 1 . . . . 39 TYR CD2 . 10029 1 408 . 1 1 39 39 TYR CE1 C 13 117.764 0.300 . 1 . . . . 39 TYR CE1 . 10029 1 409 . 1 1 39 39 TYR CE2 C 13 117.764 0.300 . 1 . . . . 39 TYR CE2 . 10029 1 410 . 1 1 39 39 TYR N N 15 117.794 0.300 . 1 . . . . 39 TYR N . 10029 1 411 . 1 1 40 40 VAL H H 1 9.024 0.030 . 1 . . . . 40 VAL H . 10029 1 412 . 1 1 40 40 VAL HA H 1 4.015 0.030 . 1 . . . . 40 VAL HA . 10029 1 413 . 1 1 40 40 VAL HB H 1 2.365 0.030 . 1 . . . . 40 VAL HB . 10029 1 414 . 1 1 40 40 VAL HG11 H 1 0.869 0.030 . 1 . . . . 40 VAL HG1 . 10029 1 415 . 1 1 40 40 VAL HG12 H 1 0.869 0.030 . 1 . . . . 40 VAL HG1 . 10029 1 416 . 1 1 40 40 VAL HG13 H 1 0.869 0.030 . 1 . . . . 40 VAL HG1 . 10029 1 417 . 1 1 40 40 VAL HG21 H 1 0.869 0.030 . 1 . . . . 40 VAL HG2 . 10029 1 418 . 1 1 40 40 VAL HG22 H 1 0.869 0.030 . 1 . . . . 40 VAL HG2 . 10029 1 419 . 1 1 40 40 VAL HG23 H 1 0.869 0.030 . 1 . . . . 40 VAL HG2 . 10029 1 420 . 1 1 40 40 VAL C C 13 176.325 0.300 . 1 . . . . 40 VAL C . 10029 1 421 . 1 1 40 40 VAL CA C 13 64.537 0.300 . 1 . . . . 40 VAL CA . 10029 1 422 . 1 1 40 40 VAL CB C 13 31.986 0.300 . 1 . . . . 40 VAL CB . 10029 1 423 . 1 1 40 40 VAL CG1 C 13 22.174 0.300 . 1 . . . . 40 VAL CG1 . 10029 1 424 . 1 1 40 40 VAL CG2 C 13 22.174 0.300 . 1 . . . . 40 VAL CG2 . 10029 1 425 . 1 1 40 40 VAL N N 15 120.968 0.300 . 1 . . . . 40 VAL N . 10029 1 426 . 1 1 41 41 LEU H H 1 9.378 0.030 . 1 . . . . 41 LEU H . 10029 1 427 . 1 1 41 41 LEU HA H 1 4.491 0.030 . 1 . . . . 41 LEU HA . 10029 1 428 . 1 1 41 41 LEU HB2 H 1 1.640 0.030 . 2 . . . . 41 LEU HB2 . 10029 1 429 . 1 1 41 41 LEU HB3 H 1 1.267 0.030 . 2 . . . . 41 LEU HB3 . 10029 1 430 . 1 1 41 41 LEU HG H 1 1.442 0.030 . 1 . . . . 41 LEU HG . 10029 1 431 . 1 1 41 41 LEU HD11 H 1 0.894 0.030 . 1 . . . . 41 LEU HD1 . 10029 1 432 . 1 1 41 41 LEU HD12 H 1 0.894 0.030 . 1 . . . . 41 LEU HD1 . 10029 1 433 . 1 1 41 41 LEU HD13 H 1 0.894 0.030 . 1 . . . . 41 LEU HD1 . 10029 1 434 . 1 1 41 41 LEU HD21 H 1 0.940 0.030 . 1 . . . . 41 LEU HD2 . 10029 1 435 . 1 1 41 41 LEU HD22 H 1 0.940 0.030 . 1 . . . . 41 LEU HD2 . 10029 1 436 . 1 1 41 41 LEU HD23 H 1 0.940 0.030 . 1 . . . . 41 LEU HD2 . 10029 1 437 . 1 1 41 41 LEU C C 13 173.642 0.300 . 1 . . . . 41 LEU C . 10029 1 438 . 1 1 41 41 LEU CA C 13 56.670 0.300 . 1 . . . . 41 LEU CA . 10029 1 439 . 1 1 41 41 LEU CB C 13 43.459 0.300 . 1 . . . . 41 LEU CB . 10029 1 440 . 1 1 41 41 LEU CG C 13 27.317 0.300 . 1 . . . . 41 LEU CG . 10029 1 441 . 1 1 41 41 LEU CD1 C 13 25.864 0.300 . 2 . . . . 41 LEU CD1 . 10029 1 442 . 1 1 41 41 LEU CD2 C 13 22.445 0.300 . 2 . . . . 41 LEU CD2 . 10029 1 443 . 1 1 41 41 LEU N N 15 134.780 0.300 . 1 . . . . 41 LEU N . 10029 1 444 . 1 1 42 42 ARG H H 1 7.162 0.030 . 1 . . . . 42 ARG H . 10029 1 445 . 1 1 42 42 ARG HA H 1 4.503 0.030 . 1 . . . . 42 ARG HA . 10029 1 446 . 1 1 42 42 ARG HB2 H 1 1.706 0.030 . 2 . . . . 42 ARG HB2 . 10029 1 447 . 1 1 42 42 ARG HB3 H 1 1.654 0.030 . 2 . . . . 42 ARG HB3 . 10029 1 448 . 1 1 42 42 ARG HG2 H 1 1.569 0.030 . 2 . . . . 42 ARG HG2 . 10029 1 449 . 1 1 42 42 ARG HG3 H 1 1.473 0.030 . 2 . . . . 42 ARG HG3 . 10029 1 450 . 1 1 42 42 ARG HD2 H 1 3.139 0.030 . 2 . . . . 42 ARG HD2 . 10029 1 451 . 1 1 42 42 ARG C C 13 173.788 0.300 . 1 . . . . 42 ARG C . 10029 1 452 . 1 1 42 42 ARG CA C 13 55.385 0.300 . 1 . . . . 42 ARG CA . 10029 1 453 . 1 1 42 42 ARG CB C 13 34.276 0.300 . 1 . . . . 42 ARG CB . 10029 1 454 . 1 1 42 42 ARG CG C 13 27.834 0.300 . 1 . . . . 42 ARG CG . 10029 1 455 . 1 1 42 42 ARG CD C 13 43.347 0.300 . 1 . . . . 42 ARG CD . 10029 1 456 . 1 1 42 42 ARG N N 15 114.058 0.300 . 1 . . . . 42 ARG N . 10029 1 457 . 1 1 43 43 LEU H H 1 8.655 0.030 . 1 . . . . 43 LEU H . 10029 1 458 . 1 1 43 43 LEU HA H 1 5.029 0.030 . 1 . . . . 43 LEU HA . 10029 1 459 . 1 1 43 43 LEU HB2 H 1 1.770 0.030 . 2 . . . . 43 LEU HB2 . 10029 1 460 . 1 1 43 43 LEU HB3 H 1 1.330 0.030 . 2 . . . . 43 LEU HB3 . 10029 1 461 . 1 1 43 43 LEU HG H 1 1.534 0.030 . 1 . . . . 43 LEU HG . 10029 1 462 . 1 1 43 43 LEU HD11 H 1 0.846 0.030 . 1 . . . . 43 LEU HD1 . 10029 1 463 . 1 1 43 43 LEU HD12 H 1 0.846 0.030 . 1 . . . . 43 LEU HD1 . 10029 1 464 . 1 1 43 43 LEU HD13 H 1 0.846 0.030 . 1 . . . . 43 LEU HD1 . 10029 1 465 . 1 1 43 43 LEU HD21 H 1 0.772 0.030 . 1 . . . . 43 LEU HD2 . 10029 1 466 . 1 1 43 43 LEU HD22 H 1 0.772 0.030 . 1 . . . . 43 LEU HD2 . 10029 1 467 . 1 1 43 43 LEU HD23 H 1 0.772 0.030 . 1 . . . . 43 LEU HD2 . 10029 1 468 . 1 1 43 43 LEU C C 13 175.597 0.300 . 1 . . . . 43 LEU C . 10029 1 469 . 1 1 43 43 LEU CA C 13 53.467 0.300 . 1 . . . . 43 LEU CA . 10029 1 470 . 1 1 43 43 LEU CB C 13 43.617 0.300 . 1 . . . . 43 LEU CB . 10029 1 471 . 1 1 43 43 LEU CG C 13 27.565 0.300 . 1 . . . . 43 LEU CG . 10029 1 472 . 1 1 43 43 LEU CD1 C 13 26.371 0.300 . 2 . . . . 43 LEU CD1 . 10029 1 473 . 1 1 43 43 LEU CD2 C 13 25.519 0.300 . 2 . . . . 43 LEU CD2 . 10029 1 474 . 1 1 43 43 LEU N N 15 122.923 0.300 . 1 . . . . 43 LEU N . 10029 1 475 . 1 1 44 44 ALA H H 1 7.921 0.030 . 1 . . . . 44 ALA H . 10029 1 476 . 1 1 44 44 ALA HA H 1 4.291 0.030 . 1 . . . . 44 ALA HA . 10029 1 477 . 1 1 44 44 ALA HB1 H 1 1.420 0.030 . 1 . . . . 44 ALA HB . 10029 1 478 . 1 1 44 44 ALA HB2 H 1 1.420 0.030 . 1 . . . . 44 ALA HB . 10029 1 479 . 1 1 44 44 ALA HB3 H 1 1.420 0.030 . 1 . . . . 44 ALA HB . 10029 1 480 . 1 1 44 44 ALA C C 13 178.692 0.300 . 1 . . . . 44 ALA C . 10029 1 481 . 1 1 44 44 ALA CA C 13 51.918 0.300 . 1 . . . . 44 ALA CA . 10029 1 482 . 1 1 44 44 ALA CB C 13 19.735 0.300 . 1 . . . . 44 ALA CB . 10029 1 483 . 1 1 44 44 ALA N N 15 125.993 0.300 . 1 . . . . 44 ALA N . 10029 1 484 . 1 1 45 45 GLU H H 1 9.179 0.030 . 1 . . . . 45 GLU H . 10029 1 485 . 1 1 45 45 GLU HA H 1 4.038 0.030 . 1 . . . . 45 GLU HA . 10029 1 486 . 1 1 45 45 GLU HB2 H 1 2.042 0.030 . 1 . . . . 45 GLU HB2 . 10029 1 487 . 1 1 45 45 GLU HB3 H 1 2.042 0.030 . 1 . . . . 45 GLU HB3 . 10029 1 488 . 1 1 45 45 GLU HG2 H 1 2.374 0.030 . 1 . . . . 45 GLU HG2 . 10029 1 489 . 1 1 45 45 GLU HG3 H 1 2.374 0.030 . 1 . . . . 45 GLU HG3 . 10029 1 490 . 1 1 45 45 GLU C C 13 176.374 0.300 . 1 . . . . 45 GLU C . 10029 1 491 . 1 1 45 45 GLU CA C 13 59.078 0.300 . 1 . . . . 45 GLU CA . 10029 1 492 . 1 1 45 45 GLU CB C 13 29.380 0.300 . 1 . . . . 45 GLU CB . 10029 1 493 . 1 1 45 45 GLU CG C 13 36.420 0.300 . 1 . . . . 45 GLU CG . 10029 1 494 . 1 1 45 45 GLU N N 15 122.923 0.300 . 1 . . . . 45 GLU N . 10029 1 495 . 1 1 46 46 ASP H H 1 8.440 0.030 . 1 . . . . 46 ASP H . 10029 1 496 . 1 1 46 46 ASP HA H 1 4.632 0.030 . 1 . . . . 46 ASP HA . 10029 1 497 . 1 1 46 46 ASP HB2 H 1 2.808 0.030 . 2 . . . . 46 ASP HB2 . 10029 1 498 . 1 1 46 46 ASP HB3 H 1 2.738 0.030 . 2 . . . . 46 ASP HB3 . 10029 1 499 . 1 1 46 46 ASP C C 13 175.560 0.300 . 1 . . . . 46 ASP C . 10029 1 500 . 1 1 46 46 ASP CA C 13 53.762 0.300 . 1 . . . . 46 ASP CA . 10029 1 501 . 1 1 46 46 ASP CB C 13 41.030 0.300 . 1 . . . . 46 ASP CB . 10029 1 502 . 1 1 46 46 ASP N N 15 116.842 0.300 . 1 . . . . 46 ASP N . 10029 1 503 . 1 1 47 47 GLY H H 1 7.288 0.030 . 1 . . . . 47 GLY H . 10029 1 504 . 1 1 47 47 GLY HA2 H 1 4.610 0.030 . 2 . . . . 47 GLY HA2 . 10029 1 505 . 1 1 47 47 GLY HA3 H 1 3.939 0.030 . 2 . . . . 47 GLY HA3 . 10029 1 506 . 1 1 47 47 GLY C C 13 172.344 0.300 . 1 . . . . 47 GLY C . 10029 1 507 . 1 1 47 47 GLY CA C 13 45.555 0.300 . 1 . . . . 47 GLY CA . 10029 1 508 . 1 1 47 47 GLY N N 15 106.355 0.300 . 1 . . . . 47 GLY N . 10029 1 509 . 1 1 48 48 PRO HA H 1 4.351 0.030 . 1 . . . . 48 PRO HA . 10029 1 510 . 1 1 48 48 PRO HB2 H 1 2.588 0.030 . 2 . . . . 48 PRO HB2 . 10029 1 511 . 1 1 48 48 PRO HB3 H 1 2.325 0.030 . 2 . . . . 48 PRO HB3 . 10029 1 512 . 1 1 48 48 PRO HG2 H 1 2.556 0.030 . 2 . . . . 48 PRO HG2 . 10029 1 513 . 1 1 48 48 PRO HG3 H 1 2.293 0.030 . 2 . . . . 48 PRO HG3 . 10029 1 514 . 1 1 48 48 PRO HD2 H 1 3.777 0.030 . 2 . . . . 48 PRO HD2 . 10029 1 515 . 1 1 48 48 PRO HD3 H 1 3.376 0.030 . 2 . . . . 48 PRO HD3 . 10029 1 516 . 1 1 48 48 PRO C C 13 179.190 0.300 . 1 . . . . 48 PRO C . 10029 1 517 . 1 1 48 48 PRO CA C 13 64.986 0.300 . 1 . . . . 48 PRO CA . 10029 1 518 . 1 1 48 48 PRO CB C 13 32.229 0.300 . 1 . . . . 48 PRO CB . 10029 1 519 . 1 1 48 48 PRO CG C 13 28.200 0.300 . 1 . . . . 48 PRO CG . 10029 1 520 . 1 1 48 48 PRO CD C 13 49.903 0.300 . 1 . . . . 48 PRO CD . 10029 1 521 . 1 1 49 49 ALA H H 1 7.522 0.030 . 1 . . . . 49 ALA H . 10029 1 522 . 1 1 49 49 ALA HA H 1 4.344 0.030 . 1 . . . . 49 ALA HA . 10029 1 523 . 1 1 49 49 ALA HB1 H 1 1.624 0.030 . 1 . . . . 49 ALA HB . 10029 1 524 . 1 1 49 49 ALA HB2 H 1 1.624 0.030 . 1 . . . . 49 ALA HB . 10029 1 525 . 1 1 49 49 ALA HB3 H 1 1.624 0.030 . 1 . . . . 49 ALA HB . 10029 1 526 . 1 1 49 49 ALA C C 13 180.440 0.300 . 1 . . . . 49 ALA C . 10029 1 527 . 1 1 49 49 ALA CA C 13 55.816 0.300 . 1 . . . . 49 ALA CA . 10029 1 528 . 1 1 49 49 ALA CB C 13 19.491 0.300 . 1 . . . . 49 ALA CB . 10029 1 529 . 1 1 49 49 ALA N N 15 121.297 0.300 . 1 . . . . 49 ALA N . 10029 1 530 . 1 1 50 50 ILE H H 1 9.017 0.030 . 1 . . . . 50 ILE H . 10029 1 531 . 1 1 50 50 ILE HA H 1 4.134 0.030 . 1 . . . . 50 ILE HA . 10029 1 532 . 1 1 50 50 ILE HB H 1 1.890 0.030 . 1 . . . . 50 ILE HB . 10029 1 533 . 1 1 50 50 ILE HG12 H 1 1.574 0.030 . 2 . . . . 50 ILE HG12 . 10029 1 534 . 1 1 50 50 ILE HG13 H 1 1.400 0.030 . 2 . . . . 50 ILE HG13 . 10029 1 535 . 1 1 50 50 ILE HG21 H 1 1.170 0.030 . 1 . . . . 50 ILE HG2 . 10029 1 536 . 1 1 50 50 ILE HG22 H 1 1.170 0.030 . 1 . . . . 50 ILE HG2 . 10029 1 537 . 1 1 50 50 ILE HG23 H 1 1.170 0.030 . 1 . . . . 50 ILE HG2 . 10029 1 538 . 1 1 50 50 ILE HD11 H 1 0.910 0.030 . 1 . . . . 50 ILE HD1 . 10029 1 539 . 1 1 50 50 ILE HD12 H 1 0.910 0.030 . 1 . . . . 50 ILE HD1 . 10029 1 540 . 1 1 50 50 ILE HD13 H 1 0.910 0.030 . 1 . . . . 50 ILE HD1 . 10029 1 541 . 1 1 50 50 ILE C C 13 177.272 0.300 . 1 . . . . 50 ILE C . 10029 1 542 . 1 1 50 50 ILE CA C 13 63.597 0.300 . 1 . . . . 50 ILE CA . 10029 1 543 . 1 1 50 50 ILE CB C 13 38.270 0.300 . 1 . . . . 50 ILE CB . 10029 1 544 . 1 1 50 50 ILE CG1 C 13 30.313 0.300 . 1 . . . . 50 ILE CG1 . 10029 1 545 . 1 1 50 50 ILE CG2 C 13 17.312 0.300 . 1 . . . . 50 ILE CG2 . 10029 1 546 . 1 1 50 50 ILE CD1 C 13 14.053 0.300 . 1 . . . . 50 ILE CD1 . 10029 1 547 . 1 1 50 50 ILE N N 15 121.236 0.300 . 1 . . . . 50 ILE N . 10029 1 548 . 1 1 51 51 ARG H H 1 7.419 0.030 . 1 . . . . 51 ARG H . 10029 1 549 . 1 1 51 51 ARG HA H 1 4.144 0.030 . 1 . . . . 51 ARG HA . 10029 1 550 . 1 1 51 51 ARG HB2 H 1 1.954 0.030 . 2 . . . . 51 ARG HB2 . 10029 1 551 . 1 1 51 51 ARG HB3 H 1 1.871 0.030 . 2 . . . . 51 ARG HB3 . 10029 1 552 . 1 1 51 51 ARG HG2 H 1 1.857 0.030 . 2 . . . . 51 ARG HG2 . 10029 1 553 . 1 1 51 51 ARG HG3 H 1 1.672 0.030 . 2 . . . . 51 ARG HG3 . 10029 1 554 . 1 1 51 51 ARG HD2 H 1 3.183 0.030 . 2 . . . . 51 ARG HD2 . 10029 1 555 . 1 1 51 51 ARG C C 13 177.770 0.300 . 1 . . . . 51 ARG C . 10029 1 556 . 1 1 51 51 ARG CA C 13 58.138 0.300 . 1 . . . . 51 ARG CA . 10029 1 557 . 1 1 51 51 ARG CB C 13 30.498 0.300 . 1 . . . . 51 ARG CB . 10029 1 558 . 1 1 51 51 ARG CG C 13 28.234 0.300 . 1 . . . . 51 ARG CG . 10029 1 559 . 1 1 51 51 ARG CD C 13 43.429 0.300 . 1 . . . . 51 ARG CD . 10029 1 560 . 1 1 51 51 ARG N N 15 120.761 0.300 . 1 . . . . 51 ARG N . 10029 1 561 . 1 1 52 52 ASN H H 1 7.908 0.030 . 1 . . . . 52 ASN H . 10029 1 562 . 1 1 52 52 ASN HA H 1 4.455 0.030 . 1 . . . . 52 ASN HA . 10029 1 563 . 1 1 52 52 ASN HB2 H 1 3.029 0.030 . 2 . . . . 52 ASN HB2 . 10029 1 564 . 1 1 52 52 ASN HB3 H 1 2.868 0.030 . 2 . . . . 52 ASN HB3 . 10029 1 565 . 1 1 52 52 ASN HD21 H 1 8.027 0.030 . 2 . . . . 52 ASN HD21 . 10029 1 566 . 1 1 52 52 ASN HD22 H 1 6.965 0.030 . 2 . . . . 52 ASN HD22 . 10029 1 567 . 1 1 52 52 ASN C C 13 176.835 0.300 . 1 . . . . 52 ASN C . 10029 1 568 . 1 1 52 52 ASN CA C 13 56.609 0.300 . 1 . . . . 52 ASN CA . 10029 1 569 . 1 1 52 52 ASN CB C 13 40.180 0.300 . 1 . . . . 52 ASN CB . 10029 1 570 . 1 1 52 52 ASN N N 15 118.045 0.300 . 1 . . . . 52 ASN N . 10029 1 571 . 1 1 52 52 ASN ND2 N 15 113.444 0.300 . 1 . . . . 52 ASN ND2 . 10029 1 572 . 1 1 53 53 GLY H H 1 7.532 0.030 . 1 . . . . 53 GLY H . 10029 1 573 . 1 1 53 53 GLY HA2 H 1 4.123 0.030 . 2 . . . . 53 GLY HA2 . 10029 1 574 . 1 1 53 53 GLY HA3 H 1 3.893 0.030 . 2 . . . . 53 GLY HA3 . 10029 1 575 . 1 1 53 53 GLY C C 13 174.711 0.300 . 1 . . . . 53 GLY C . 10029 1 576 . 1 1 53 53 GLY CA C 13 46.444 0.300 . 1 . . . . 53 GLY CA . 10029 1 577 . 1 1 53 53 GLY N N 15 105.080 0.300 . 1 . . . . 53 GLY N . 10029 1 578 . 1 1 54 54 ARG H H 1 8.140 0.030 . 1 . . . . 54 ARG H . 10029 1 579 . 1 1 54 54 ARG HA H 1 4.193 0.030 . 1 . . . . 54 ARG HA . 10029 1 580 . 1 1 54 54 ARG HB2 H 1 1.811 0.030 . 2 . . . . 54 ARG HB2 . 10029 1 581 . 1 1 54 54 ARG HB3 H 1 1.701 0.030 . 2 . . . . 54 ARG HB3 . 10029 1 582 . 1 1 54 54 ARG HG2 H 1 1.631 0.030 . 2 . . . . 54 ARG HG2 . 10029 1 583 . 1 1 54 54 ARG HG3 H 1 1.441 0.030 . 2 . . . . 54 ARG HG3 . 10029 1 584 . 1 1 54 54 ARG HD2 H 1 3.332 0.030 . 2 . . . . 54 ARG HD2 . 10029 1 585 . 1 1 54 54 ARG HD3 H 1 3.161 0.030 . 2 . . . . 54 ARG HD3 . 10029 1 586 . 1 1 54 54 ARG C C 13 176.119 0.300 . 1 . . . . 54 ARG C . 10029 1 587 . 1 1 54 54 ARG CA C 13 57.585 0.300 . 1 . . . . 54 ARG CA . 10029 1 588 . 1 1 54 54 ARG CB C 13 31.814 0.300 . 1 . . . . 54 ARG CB . 10029 1 589 . 1 1 54 54 ARG CG C 13 27.700 0.300 . 1 . . . . 54 ARG CG . 10029 1 590 . 1 1 54 54 ARG CD C 13 43.929 0.300 . 1 . . . . 54 ARG CD . 10029 1 591 . 1 1 54 54 ARG N N 15 118.884 0.300 . 1 . . . . 54 ARG N . 10029 1 592 . 1 1 55 55 MET H H 1 8.190 0.030 . 1 . . . . 55 MET H . 10029 1 593 . 1 1 55 55 MET HA H 1 4.455 0.030 . 1 . . . . 55 MET HA . 10029 1 594 . 1 1 55 55 MET HB2 H 1 1.857 0.030 . 2 . . . . 55 MET HB2 . 10029 1 595 . 1 1 55 55 MET HB3 H 1 1.814 0.030 . 2 . . . . 55 MET HB3 . 10029 1 596 . 1 1 55 55 MET HG2 H 1 2.259 0.030 . 1 . . . . 55 MET HG2 . 10029 1 597 . 1 1 55 55 MET HG3 H 1 2.259 0.030 . 1 . . . . 55 MET HG3 . 10029 1 598 . 1 1 55 55 MET HE1 H 1 1.013 0.030 . 1 . . . . 55 MET HE . 10029 1 599 . 1 1 55 55 MET HE2 H 1 1.013 0.030 . 1 . . . . 55 MET HE . 10029 1 600 . 1 1 55 55 MET HE3 H 1 1.013 0.030 . 1 . . . . 55 MET HE . 10029 1 601 . 1 1 55 55 MET C C 13 174.346 0.300 . 1 . . . . 55 MET C . 10029 1 602 . 1 1 55 55 MET CA C 13 55.839 0.300 . 1 . . . . 55 MET CA . 10029 1 603 . 1 1 55 55 MET CB C 13 35.912 0.300 . 1 . . . . 55 MET CB . 10029 1 604 . 1 1 55 55 MET CG C 13 31.801 0.300 . 1 . . . . 55 MET CG . 10029 1 605 . 1 1 55 55 MET CE C 13 16.185 0.300 . 1 . . . . 55 MET CE . 10029 1 606 . 1 1 55 55 MET N N 15 117.327 0.300 . 1 . . . . 55 MET N . 10029 1 607 . 1 1 56 56 ARG H H 1 9.228 0.030 . 1 . . . . 56 ARG H . 10029 1 608 . 1 1 56 56 ARG HA H 1 4.585 0.030 . 1 . . . . 56 ARG HA . 10029 1 609 . 1 1 56 56 ARG HB2 H 1 1.813 0.030 . 2 . . . . 56 ARG HB2 . 10029 1 610 . 1 1 56 56 ARG HB3 H 1 1.730 0.030 . 2 . . . . 56 ARG HB3 . 10029 1 611 . 1 1 56 56 ARG HG2 H 1 1.672 0.030 . 2 . . . . 56 ARG HG2 . 10029 1 612 . 1 1 56 56 ARG HG3 H 1 1.544 0.030 . 2 . . . . 56 ARG HG3 . 10029 1 613 . 1 1 56 56 ARG HD2 H 1 3.148 0.030 . 2 . . . . 56 ARG HD2 . 10029 1 614 . 1 1 56 56 ARG HD3 H 1 2.984 0.030 . 2 . . . . 56 ARG HD3 . 10029 1 615 . 1 1 56 56 ARG HE H 1 7.192 0.030 . 1 . . . . 56 ARG HE . 10029 1 616 . 1 1 56 56 ARG C C 13 175.730 0.300 . 1 . . . . 56 ARG C . 10029 1 617 . 1 1 56 56 ARG CA C 13 54.418 0.300 . 1 . . . . 56 ARG CA . 10029 1 618 . 1 1 56 56 ARG CB C 13 34.718 0.300 . 1 . . . . 56 ARG CB . 10029 1 619 . 1 1 56 56 ARG CG C 13 27.131 0.300 . 1 . . . . 56 ARG CG . 10029 1 620 . 1 1 56 56 ARG CD C 13 44.090 0.300 . 1 . . . . 56 ARG CD . 10029 1 621 . 1 1 56 56 ARG N N 15 124.146 0.300 . 1 . . . . 56 ARG N . 10029 1 622 . 1 1 56 56 ARG NE N 15 85.432 0.300 . 1 . . . . 56 ARG NE . 10029 1 623 . 1 1 57 57 VAL H H 1 8.405 0.030 . 1 . . . . 57 VAL H . 10029 1 624 . 1 1 57 57 VAL HA H 1 3.211 0.030 . 1 . . . . 57 VAL HA . 10029 1 625 . 1 1 57 57 VAL HB H 1 1.903 0.030 . 1 . . . . 57 VAL HB . 10029 1 626 . 1 1 57 57 VAL HG11 H 1 1.021 0.030 . 1 . . . . 57 VAL HG1 . 10029 1 627 . 1 1 57 57 VAL HG12 H 1 1.021 0.030 . 1 . . . . 57 VAL HG1 . 10029 1 628 . 1 1 57 57 VAL HG13 H 1 1.021 0.030 . 1 . . . . 57 VAL HG1 . 10029 1 629 . 1 1 57 57 VAL HG21 H 1 0.969 0.030 . 1 . . . . 57 VAL HG2 . 10029 1 630 . 1 1 57 57 VAL HG22 H 1 0.969 0.030 . 1 . . . . 57 VAL HG2 . 10029 1 631 . 1 1 57 57 VAL HG23 H 1 0.969 0.030 . 1 . . . . 57 VAL HG2 . 10029 1 632 . 1 1 57 57 VAL C C 13 177.697 0.300 . 1 . . . . 57 VAL C . 10029 1 633 . 1 1 57 57 VAL CA C 13 65.804 0.300 . 1 . . . . 57 VAL CA . 10029 1 634 . 1 1 57 57 VAL CB C 13 31.660 0.300 . 1 . . . . 57 VAL CB . 10029 1 635 . 1 1 57 57 VAL CG1 C 13 22.725 0.300 . 2 . . . . 57 VAL CG1 . 10029 1 636 . 1 1 57 57 VAL CG2 C 13 21.455 0.300 . 2 . . . . 57 VAL CG2 . 10029 1 637 . 1 1 57 57 VAL N N 15 120.462 0.300 . 1 . . . . 57 VAL N . 10029 1 638 . 1 1 58 58 GLY H H 1 8.872 0.030 . 1 . . . . 58 GLY H . 10029 1 639 . 1 1 58 58 GLY HA2 H 1 4.558 0.030 . 2 . . . . 58 GLY HA2 . 10029 1 640 . 1 1 58 58 GLY HA3 H 1 3.644 0.030 . 2 . . . . 58 GLY HA3 . 10029 1 641 . 1 1 58 58 GLY C C 13 174.492 0.300 . 1 . . . . 58 GLY C . 10029 1 642 . 1 1 58 58 GLY CA C 13 44.816 0.300 . 1 . . . . 58 GLY CA . 10029 1 643 . 1 1 58 58 GLY N N 15 115.934 0.300 . 1 . . . . 58 GLY N . 10029 1 644 . 1 1 59 59 ASP H H 1 7.899 0.030 . 1 . . . . 59 ASP H . 10029 1 645 . 1 1 59 59 ASP HA H 1 4.717 0.030 . 1 . . . . 59 ASP HA . 10029 1 646 . 1 1 59 59 ASP HB2 H 1 2.618 0.030 . 2 . . . . 59 ASP HB2 . 10029 1 647 . 1 1 59 59 ASP HB3 H 1 2.442 0.030 . 2 . . . . 59 ASP HB3 . 10029 1 648 . 1 1 59 59 ASP C C 13 175.500 0.300 . 1 . . . . 59 ASP C . 10029 1 649 . 1 1 59 59 ASP CA C 13 56.036 0.300 . 1 . . . . 59 ASP CA . 10029 1 650 . 1 1 59 59 ASP CB C 13 41.493 0.300 . 1 . . . . 59 ASP CB . 10029 1 651 . 1 1 59 59 ASP N N 15 122.339 0.300 . 1 . . . . 59 ASP N . 10029 1 652 . 1 1 60 60 GLN H H 1 9.006 0.030 . 1 . . . . 60 GLN H . 10029 1 653 . 1 1 60 60 GLN HA H 1 4.589 0.030 . 1 . . . . 60 GLN HA . 10029 1 654 . 1 1 60 60 GLN HB2 H 1 1.993 0.030 . 2 . . . . 60 GLN HB2 . 10029 1 655 . 1 1 60 60 GLN HB3 H 1 1.780 0.030 . 2 . . . . 60 GLN HB3 . 10029 1 656 . 1 1 60 60 GLN HG2 H 1 1.877 0.030 . 1 . . . . 60 GLN HG2 . 10029 1 657 . 1 1 60 60 GLN HG3 H 1 1.877 0.030 . 1 . . . . 60 GLN HG3 . 10029 1 658 . 1 1 60 60 GLN HE21 H 1 7.412 0.030 . 2 . . . . 60 GLN HE21 . 10029 1 659 . 1 1 60 60 GLN HE22 H 1 6.639 0.030 . 2 . . . . 60 GLN HE22 . 10029 1 660 . 1 1 60 60 GLN C C 13 175.500 0.300 . 1 . . . . 60 GLN C . 10029 1 661 . 1 1 60 60 GLN CA C 13 54.706 0.300 . 1 . . . . 60 GLN CA . 10029 1 662 . 1 1 60 60 GLN CB C 13 29.992 0.300 . 1 . . . . 60 GLN CB . 10029 1 663 . 1 1 60 60 GLN CG C 13 33.038 0.300 . 1 . . . . 60 GLN CG . 10029 1 664 . 1 1 60 60 GLN N N 15 123.516 0.300 . 1 . . . . 60 GLN N . 10029 1 665 . 1 1 60 60 GLN NE2 N 15 109.781 0.300 . 1 . . . . 60 GLN NE2 . 10029 1 666 . 1 1 61 61 ILE H H 1 8.652 0.030 . 1 . . . . 61 ILE H . 10029 1 667 . 1 1 61 61 ILE HA H 1 4.110 0.030 . 1 . . . . 61 ILE HA . 10029 1 668 . 1 1 61 61 ILE HB H 1 1.561 0.030 . 1 . . . . 61 ILE HB . 10029 1 669 . 1 1 61 61 ILE HG12 H 1 1.483 0.030 . 2 . . . . 61 ILE HG12 . 10029 1 670 . 1 1 61 61 ILE HG13 H 1 0.563 0.030 . 2 . . . . 61 ILE HG13 . 10029 1 671 . 1 1 61 61 ILE HG21 H 1 0.718 0.030 . 1 . . . . 61 ILE HG2 . 10029 1 672 . 1 1 61 61 ILE HG22 H 1 0.718 0.030 . 1 . . . . 61 ILE HG2 . 10029 1 673 . 1 1 61 61 ILE HG23 H 1 0.718 0.030 . 1 . . . . 61 ILE HG2 . 10029 1 674 . 1 1 61 61 ILE HD11 H 1 0.699 0.030 . 1 . . . . 61 ILE HD1 . 10029 1 675 . 1 1 61 61 ILE HD12 H 1 0.699 0.030 . 1 . . . . 61 ILE HD1 . 10029 1 676 . 1 1 61 61 ILE HD13 H 1 0.699 0.030 . 1 . . . . 61 ILE HD1 . 10029 1 677 . 1 1 61 61 ILE C C 13 175.815 0.300 . 1 . . . . 61 ILE C . 10029 1 678 . 1 1 61 61 ILE CA C 13 61.726 0.300 . 1 . . . . 61 ILE CA . 10029 1 679 . 1 1 61 61 ILE CB C 13 38.077 0.300 . 1 . . . . 61 ILE CB . 10029 1 680 . 1 1 61 61 ILE CG1 C 13 27.302 0.300 . 1 . . . . 61 ILE CG1 . 10029 1 681 . 1 1 61 61 ILE CG2 C 13 19.305 0.300 . 1 . . . . 61 ILE CG2 . 10029 1 682 . 1 1 61 61 ILE CD1 C 13 14.368 0.300 . 1 . . . . 61 ILE CD1 . 10029 1 683 . 1 1 61 61 ILE N N 15 124.943 0.300 . 1 . . . . 61 ILE N . 10029 1 684 . 1 1 62 62 ILE H H 1 9.364 0.030 . 1 . . . . 62 ILE H . 10029 1 685 . 1 1 62 62 ILE HA H 1 4.200 0.030 . 1 . . . . 62 ILE HA . 10029 1 686 . 1 1 62 62 ILE HB H 1 1.884 0.030 . 1 . . . . 62 ILE HB . 10029 1 687 . 1 1 62 62 ILE HG12 H 1 1.393 0.030 . 2 . . . . 62 ILE HG12 . 10029 1 688 . 1 1 62 62 ILE HG13 H 1 1.061 0.030 . 2 . . . . 62 ILE HG13 . 10029 1 689 . 1 1 62 62 ILE HG21 H 1 1.088 0.030 . 1 . . . . 62 ILE HG2 . 10029 1 690 . 1 1 62 62 ILE HG22 H 1 1.088 0.030 . 1 . . . . 62 ILE HG2 . 10029 1 691 . 1 1 62 62 ILE HG23 H 1 1.088 0.030 . 1 . . . . 62 ILE HG2 . 10029 1 692 . 1 1 62 62 ILE HD11 H 1 0.506 0.030 . 1 . . . . 62 ILE HD1 . 10029 1 693 . 1 1 62 62 ILE HD12 H 1 0.506 0.030 . 1 . . . . 62 ILE HD1 . 10029 1 694 . 1 1 62 62 ILE HD13 H 1 0.506 0.030 . 1 . . . . 62 ILE HD1 . 10029 1 695 . 1 1 62 62 ILE C C 13 175.520 0.300 . 1 . . . . 62 ILE C . 10029 1 696 . 1 1 62 62 ILE CA C 13 60.291 0.300 . 1 . . . . 62 ILE CA . 10029 1 697 . 1 1 62 62 ILE CB C 13 37.108 0.300 . 1 . . . . 62 ILE CB . 10029 1 698 . 1 1 62 62 ILE CG1 C 13 27.320 0.300 . 1 . . . . 62 ILE CG1 . 10029 1 699 . 1 1 62 62 ILE CG2 C 13 18.532 0.300 . 1 . . . . 62 ILE CG2 . 10029 1 700 . 1 1 62 62 ILE CD1 C 13 8.751 0.300 . 1 . . . . 62 ILE CD1 . 10029 1 701 . 1 1 62 62 ILE N N 15 132.041 0.300 . 1 . . . . 62 ILE N . 10029 1 702 . 1 1 63 63 GLU H H 1 7.694 0.030 . 1 . . . . 63 GLU H . 10029 1 703 . 1 1 63 63 GLU HA H 1 5.141 0.030 . 1 . . . . 63 GLU HA . 10029 1 704 . 1 1 63 63 GLU HG2 H 1 2.074 0.030 . 2 . . . . 63 GLU HG2 . 10029 1 705 . 1 1 63 63 GLU HG3 H 1 1.823 0.030 . 2 . . . . 63 GLU HG3 . 10029 1 706 . 1 1 63 63 GLU C C 13 175.388 0.300 . 1 . . . . 63 GLU C . 10029 1 707 . 1 1 63 63 GLU CA C 13 55.796 0.300 . 1 . . . . 63 GLU CA . 10029 1 708 . 1 1 63 63 GLU CG C 13 37.025 0.300 . 1 . . . . 63 GLU CG . 10029 1 709 . 1 1 63 63 GLU N N 15 121.040 0.300 . 1 . . . . 63 GLU N . 10029 1 710 . 1 1 64 64 ILE H H 1 8.594 0.030 . 1 . . . . 64 ILE H . 10029 1 711 . 1 1 64 64 ILE HA H 1 4.405 0.030 . 1 . . . . 64 ILE HA . 10029 1 712 . 1 1 64 64 ILE HB H 1 1.480 0.030 . 1 . . . . 64 ILE HB . 10029 1 713 . 1 1 64 64 ILE HG12 H 1 1.271 0.030 . 2 . . . . 64 ILE HG12 . 10029 1 714 . 1 1 64 64 ILE HG13 H 1 0.625 0.030 . 2 . . . . 64 ILE HG13 . 10029 1 715 . 1 1 64 64 ILE HG21 H 1 0.666 0.030 . 1 . . . . 64 ILE HG2 . 10029 1 716 . 1 1 64 64 ILE HG22 H 1 0.666 0.030 . 1 . . . . 64 ILE HG2 . 10029 1 717 . 1 1 64 64 ILE HG23 H 1 0.666 0.030 . 1 . . . . 64 ILE HG2 . 10029 1 718 . 1 1 64 64 ILE HD11 H 1 0.804 0.030 . 1 . . . . 64 ILE HD1 . 10029 1 719 . 1 1 64 64 ILE HD12 H 1 0.804 0.030 . 1 . . . . 64 ILE HD1 . 10029 1 720 . 1 1 64 64 ILE HD13 H 1 0.804 0.030 . 1 . . . . 64 ILE HD1 . 10029 1 721 . 1 1 64 64 ILE C C 13 174.796 0.300 . 1 . . . . 64 ILE C . 10029 1 722 . 1 1 64 64 ILE CA C 13 60.718 0.300 . 1 . . . . 64 ILE CA . 10029 1 723 . 1 1 64 64 ILE CB C 13 40.998 0.300 . 1 . . . . 64 ILE CB . 10029 1 724 . 1 1 64 64 ILE CG1 C 13 27.517 0.300 . 1 . . . . 64 ILE CG1 . 10029 1 725 . 1 1 64 64 ILE CG2 C 13 17.839 0.300 . 1 . . . . 64 ILE CG2 . 10029 1 726 . 1 1 64 64 ILE CD1 C 13 14.215 0.300 . 1 . . . . 64 ILE CD1 . 10029 1 727 . 1 1 64 64 ILE N N 15 122.867 0.300 . 1 . . . . 64 ILE N . 10029 1 728 . 1 1 65 65 ASN H H 1 9.807 0.030 . 1 . . . . 65 ASN H . 10029 1 729 . 1 1 65 65 ASN HA H 1 4.311 0.030 . 1 . . . . 65 ASN HA . 10029 1 730 . 1 1 65 65 ASN HB2 H 1 3.052 0.030 . 2 . . . . 65 ASN HB2 . 10029 1 731 . 1 1 65 65 ASN HB3 H 1 2.797 0.030 . 2 . . . . 65 ASN HB3 . 10029 1 732 . 1 1 65 65 ASN HD21 H 1 8.476 0.030 . 2 . . . . 65 ASN HD21 . 10029 1 733 . 1 1 65 65 ASN HD22 H 1 6.598 0.030 . 2 . . . . 65 ASN HD22 . 10029 1 734 . 1 1 65 65 ASN C C 13 175.403 0.300 . 1 . . . . 65 ASN C . 10029 1 735 . 1 1 65 65 ASN CA C 13 54.188 0.300 . 1 . . . . 65 ASN CA . 10029 1 736 . 1 1 65 65 ASN CB C 13 37.296 0.300 . 1 . . . . 65 ASN CB . 10029 1 737 . 1 1 65 65 ASN N N 15 125.997 0.300 . 1 . . . . 65 ASN N . 10029 1 738 . 1 1 65 65 ASN ND2 N 15 114.901 0.300 . 1 . . . . 65 ASN ND2 . 10029 1 739 . 1 1 66 66 GLY H H 1 8.743 0.030 . 1 . . . . 66 GLY H . 10029 1 740 . 1 1 66 66 GLY HA2 H 1 4.197 0.030 . 2 . . . . 66 GLY HA2 . 10029 1 741 . 1 1 66 66 GLY HA3 H 1 3.400 0.030 . 2 . . . . 66 GLY HA3 . 10029 1 742 . 1 1 66 66 GLY C C 13 173.096 0.300 . 1 . . . . 66 GLY C . 10029 1 743 . 1 1 66 66 GLY CA C 13 45.334 0.300 . 1 . . . . 66 GLY CA . 10029 1 744 . 1 1 66 66 GLY N N 15 103.147 0.300 . 1 . . . . 66 GLY N . 10029 1 745 . 1 1 67 67 GLU H H 1 8.103 0.030 . 1 . . . . 67 GLU H . 10029 1 746 . 1 1 67 67 GLU HA H 1 4.532 0.030 . 1 . . . . 67 GLU HA . 10029 1 747 . 1 1 67 67 GLU HB2 H 1 2.007 0.030 . 1 . . . . 67 GLU HB2 . 10029 1 748 . 1 1 67 67 GLU HB3 H 1 2.007 0.030 . 1 . . . . 67 GLU HB3 . 10029 1 749 . 1 1 67 67 GLU HG2 H 1 2.254 0.030 . 2 . . . . 67 GLU HG2 . 10029 1 750 . 1 1 67 67 GLU HG3 H 1 2.158 0.030 . 2 . . . . 67 GLU HG3 . 10029 1 751 . 1 1 67 67 GLU C C 13 175.281 0.300 . 1 . . . . 67 GLU C . 10029 1 752 . 1 1 67 67 GLU CA C 13 55.156 0.300 . 1 . . . . 67 GLU CA . 10029 1 753 . 1 1 67 67 GLU CB C 13 30.552 0.300 . 1 . . . . 67 GLU CB . 10029 1 754 . 1 1 67 67 GLU CG C 13 35.835 0.300 . 1 . . . . 67 GLU CG . 10029 1 755 . 1 1 67 67 GLU N N 15 122.217 0.300 . 1 . . . . 67 GLU N . 10029 1 756 . 1 1 68 68 SER H H 1 8.761 0.030 . 1 . . . . 68 SER H . 10029 1 757 . 1 1 68 68 SER HA H 1 4.658 0.030 . 1 . . . . 68 SER HA . 10029 1 758 . 1 1 68 68 SER HB2 H 1 4.318 0.030 . 2 . . . . 68 SER HB2 . 10029 1 759 . 1 1 68 68 SER HB3 H 1 3.810 0.030 . 2 . . . . 68 SER HB3 . 10029 1 760 . 1 1 68 68 SER C C 13 176.568 0.300 . 1 . . . . 68 SER C . 10029 1 761 . 1 1 68 68 SER CB C 13 63.973 0.300 . 1 . . . . 68 SER CB . 10029 1 762 . 1 1 68 68 SER N N 15 119.829 0.300 . 1 . . . . 68 SER N . 10029 1 763 . 1 1 69 69 THR H H 1 8.198 0.030 . 1 . . . . 69 THR H . 10029 1 764 . 1 1 69 69 THR HA H 1 4.379 0.030 . 1 . . . . 69 THR HA . 10029 1 765 . 1 1 69 69 THR HB H 1 4.781 0.030 . 1 . . . . 69 THR HB . 10029 1 766 . 1 1 69 69 THR HG21 H 1 1.066 0.030 . 1 . . . . 69 THR HG2 . 10029 1 767 . 1 1 69 69 THR HG22 H 1 1.066 0.030 . 1 . . . . 69 THR HG2 . 10029 1 768 . 1 1 69 69 THR HG23 H 1 1.066 0.030 . 1 . . . . 69 THR HG2 . 10029 1 769 . 1 1 69 69 THR C C 13 175.524 0.300 . 1 . . . . 69 THR C . 10029 1 770 . 1 1 69 69 THR CA C 13 60.964 0.300 . 1 . . . . 69 THR CA . 10029 1 771 . 1 1 69 69 THR CB C 13 68.320 0.300 . 1 . . . . 69 THR CB . 10029 1 772 . 1 1 69 69 THR CG2 C 13 21.618 0.300 . 1 . . . . 69 THR CG2 . 10029 1 773 . 1 1 69 69 THR N N 15 115.205 0.300 . 1 . . . . 69 THR N . 10029 1 774 . 1 1 70 70 ARG H H 1 7.930 0.030 . 1 . . . . 70 ARG H . 10029 1 775 . 1 1 70 70 ARG HA H 1 3.746 0.030 . 1 . . . . 70 ARG HA . 10029 1 776 . 1 1 70 70 ARG HB2 H 1 1.591 0.030 . 2 . . . . 70 ARG HB2 . 10029 1 777 . 1 1 70 70 ARG HB3 H 1 1.356 0.030 . 2 . . . . 70 ARG HB3 . 10029 1 778 . 1 1 70 70 ARG HG2 H 1 1.453 0.030 . 2 . . . . 70 ARG HG2 . 10029 1 779 . 1 1 70 70 ARG HD2 H 1 3.099 0.030 . 2 . . . . 70 ARG HD2 . 10029 1 780 . 1 1 70 70 ARG C C 13 177.029 0.300 . 1 . . . . 70 ARG C . 10029 1 781 . 1 1 70 70 ARG CA C 13 58.911 0.300 . 1 . . . . 70 ARG CA . 10029 1 782 . 1 1 70 70 ARG CB C 13 29.619 0.300 . 1 . . . . 70 ARG CB . 10029 1 783 . 1 1 70 70 ARG CG C 13 26.758 0.300 . 1 . . . . 70 ARG CG . 10029 1 784 . 1 1 70 70 ARG CD C 13 43.548 0.300 . 1 . . . . 70 ARG CD . 10029 1 785 . 1 1 70 70 ARG N N 15 127.014 0.300 . 1 . . . . 70 ARG N . 10029 1 786 . 1 1 71 71 ASP H H 1 9.247 0.030 . 1 . . . . 71 ASP H . 10029 1 787 . 1 1 71 71 ASP HA H 1 4.445 0.030 . 1 . . . . 71 ASP HA . 10029 1 788 . 1 1 71 71 ASP HB2 H 1 2.957 0.030 . 2 . . . . 71 ASP HB2 . 10029 1 789 . 1 1 71 71 ASP HB3 H 1 2.641 0.030 . 2 . . . . 71 ASP HB3 . 10029 1 790 . 1 1 71 71 ASP C C 13 174.310 0.300 . 1 . . . . 71 ASP C . 10029 1 791 . 1 1 71 71 ASP CA C 13 55.678 0.300 . 1 . . . . 71 ASP CA . 10029 1 792 . 1 1 71 71 ASP CB C 13 40.631 0.300 . 1 . . . . 71 ASP CB . 10029 1 793 . 1 1 72 72 MET H H 1 7.858 0.030 . 1 . . . . 72 MET H . 10029 1 794 . 1 1 72 72 MET HA H 1 4.432 0.030 . 1 . . . . 72 MET HA . 10029 1 795 . 1 1 72 72 MET HB2 H 1 3.380 0.030 . 2 . . . . 72 MET HB2 . 10029 1 796 . 1 1 72 72 MET HB3 H 1 2.361 0.030 . 2 . . . . 72 MET HB3 . 10029 1 797 . 1 1 72 72 MET HG2 H 1 1.994 0.030 . 2 . . . . 72 MET HG2 . 10029 1 798 . 1 1 72 72 MET HG3 H 1 1.893 0.030 . 2 . . . . 72 MET HG3 . 10029 1 799 . 1 1 72 72 MET HE1 H 1 1.963 0.030 . 1 . . . . 72 MET HE . 10029 1 800 . 1 1 72 72 MET HE2 H 1 1.963 0.030 . 1 . . . . 72 MET HE . 10029 1 801 . 1 1 72 72 MET HE3 H 1 1.963 0.030 . 1 . . . . 72 MET HE . 10029 1 802 . 1 1 72 72 MET C C 13 178.122 0.300 . 1 . . . . 72 MET C . 10029 1 803 . 1 1 72 72 MET CA C 13 56.455 0.300 . 1 . . . . 72 MET CA . 10029 1 804 . 1 1 72 72 MET CB C 13 31.582 0.300 . 1 . . . . 72 MET CB . 10029 1 805 . 1 1 72 72 MET CG C 13 36.632 0.300 . 1 . . . . 72 MET CG . 10029 1 806 . 1 1 72 72 MET CE C 13 17.628 0.300 . 1 . . . . 72 MET CE . 10029 1 807 . 1 1 72 72 MET N N 15 120.095 0.300 . 1 . . . . 72 MET N . 10029 1 808 . 1 1 73 73 THR H H 1 8.673 0.030 . 1 . . . . 73 THR H . 10029 1 809 . 1 1 73 73 THR HA H 1 4.623 0.030 . 1 . . . . 73 THR HA . 10029 1 810 . 1 1 73 73 THR HB H 1 5.072 0.030 . 1 . . . . 73 THR HB . 10029 1 811 . 1 1 73 73 THR HG21 H 1 1.382 0.030 . 1 . . . . 73 THR HG2 . 10029 1 812 . 1 1 73 73 THR HG22 H 1 1.382 0.030 . 1 . . . . 73 THR HG2 . 10029 1 813 . 1 1 73 73 THR HG23 H 1 1.382 0.030 . 1 . . . . 73 THR HG2 . 10029 1 814 . 1 1 73 73 THR C C 13 175.039 0.300 . 1 . . . . 73 THR C . 10029 1 815 . 1 1 73 73 THR CA C 13 61.210 0.300 . 1 . . . . 73 THR CA . 10029 1 816 . 1 1 73 73 THR CB C 13 69.659 0.300 . 1 . . . . 73 THR CB . 10029 1 817 . 1 1 73 73 THR CG2 C 13 22.394 0.300 . 1 . . . . 73 THR CG2 . 10029 1 818 . 1 1 73 73 THR N N 15 117.850 0.300 . 1 . . . . 73 THR N . 10029 1 819 . 1 1 74 74 HIS H H 1 12.392 0.030 . 1 . . . . 74 HIS H . 10029 1 820 . 1 1 74 74 HIS HA H 1 3.923 0.030 . 1 . . . . 74 HIS HA . 10029 1 821 . 1 1 74 74 HIS HB2 H 1 4.239 0.030 . 2 . . . . 74 HIS HB2 . 10029 1 822 . 1 1 74 74 HIS HB3 H 1 3.507 0.030 . 2 . . . . 74 HIS HB3 . 10029 1 823 . 1 1 74 74 HIS HD2 H 1 7.020 0.030 . 1 . . . . 74 HIS HD2 . 10029 1 824 . 1 1 74 74 HIS HE1 H 1 8.105 0.030 . 1 . . . . 74 HIS HE1 . 10029 1 825 . 1 1 74 74 HIS C C 13 177.660 0.300 . 1 . . . . 74 HIS C . 10029 1 826 . 1 1 74 74 HIS CA C 13 61.077 0.300 . 1 . . . . 74 HIS CA . 10029 1 827 . 1 1 74 74 HIS CB C 13 28.640 0.300 . 1 . . . . 74 HIS CB . 10029 1 828 . 1 1 74 74 HIS CD2 C 13 121.830 0.300 . 1 . . . . 74 HIS CD2 . 10029 1 829 . 1 1 74 74 HIS CE1 C 13 137.001 0.300 . 1 . . . . 74 HIS CE1 . 10029 1 830 . 1 1 74 74 HIS N N 15 128.152 0.300 . 1 . . . . 74 HIS N . 10029 1 831 . 1 1 75 75 ALA H H 1 8.013 0.030 . 1 . . . . 75 ALA H . 10029 1 832 . 1 1 75 75 ALA HA H 1 4.151 0.030 . 1 . . . . 75 ALA HA . 10029 1 833 . 1 1 75 75 ALA HB1 H 1 1.515 0.030 . 1 . . . . 75 ALA HB . 10029 1 834 . 1 1 75 75 ALA HB2 H 1 1.515 0.030 . 1 . . . . 75 ALA HB . 10029 1 835 . 1 1 75 75 ALA HB3 H 1 1.515 0.030 . 1 . . . . 75 ALA HB . 10029 1 836 . 1 1 75 75 ALA C C 13 180.367 0.300 . 1 . . . . 75 ALA C . 10029 1 837 . 1 1 75 75 ALA CA C 13 55.311 0.300 . 1 . . . . 75 ALA CA . 10029 1 838 . 1 1 75 75 ALA CB C 13 18.493 0.300 . 1 . . . . 75 ALA CB . 10029 1 839 . 1 1 75 75 ALA N N 15 116.842 0.300 . 1 . . . . 75 ALA N . 10029 1 840 . 1 1 76 76 ARG H H 1 8.425 0.030 . 1 . . . . 76 ARG H . 10029 1 841 . 1 1 76 76 ARG HA H 1 4.151 0.030 . 1 . . . . 76 ARG HA . 10029 1 842 . 1 1 76 76 ARG HB2 H 1 2.090 0.030 . 2 . . . . 76 ARG HB2 . 10029 1 843 . 1 1 76 76 ARG HB3 H 1 1.830 0.030 . 2 . . . . 76 ARG HB3 . 10029 1 844 . 1 1 76 76 ARG HG2 H 1 1.869 0.030 . 2 . . . . 76 ARG HG2 . 10029 1 845 . 1 1 76 76 ARG HG3 H 1 1.705 0.030 . 2 . . . . 76 ARG HG3 . 10029 1 846 . 1 1 76 76 ARG HD2 H 1 3.520 0.030 . 2 . . . . 76 ARG HD2 . 10029 1 847 . 1 1 76 76 ARG HD3 H 1 3.123 0.030 . 2 . . . . 76 ARG HD3 . 10029 1 848 . 1 1 76 76 ARG HE H 1 7.597 0.030 . 1 . . . . 76 ARG HE . 10029 1 849 . 1 1 76 76 ARG C C 13 177.175 0.300 . 1 . . . . 76 ARG C . 10029 1 850 . 1 1 76 76 ARG CA C 13 57.778 0.300 . 1 . . . . 76 ARG CA . 10029 1 851 . 1 1 76 76 ARG CB C 13 29.786 0.300 . 1 . . . . 76 ARG CB . 10029 1 852 . 1 1 76 76 ARG CG C 13 26.563 0.300 . 1 . . . . 76 ARG CG . 10029 1 853 . 1 1 76 76 ARG CD C 13 43.325 0.300 . 1 . . . . 76 ARG CD . 10029 1 854 . 1 1 76 76 ARG N N 15 120.531 0.300 . 1 . . . . 76 ARG N . 10029 1 855 . 1 1 76 76 ARG NE N 15 85.696 0.300 . 1 . . . . 76 ARG NE . 10029 1 856 . 1 1 77 77 ALA H H 1 7.974 0.030 . 1 . . . . 77 ALA H . 10029 1 857 . 1 1 77 77 ALA HA H 1 4.002 0.030 . 1 . . . . 77 ALA HA . 10029 1 858 . 1 1 77 77 ALA HB1 H 1 1.243 0.030 . 1 . . . . 77 ALA HB . 10029 1 859 . 1 1 77 77 ALA HB2 H 1 1.243 0.030 . 1 . . . . 77 ALA HB . 10029 1 860 . 1 1 77 77 ALA HB3 H 1 1.243 0.030 . 1 . . . . 77 ALA HB . 10029 1 861 . 1 1 77 77 ALA C C 13 179.299 0.300 . 1 . . . . 77 ALA C . 10029 1 862 . 1 1 77 77 ALA CA C 13 55.966 0.300 . 1 . . . . 77 ALA CA . 10029 1 863 . 1 1 77 77 ALA CB C 13 18.446 0.300 . 1 . . . . 77 ALA CB . 10029 1 864 . 1 1 77 77 ALA N N 15 123.048 0.300 . 1 . . . . 77 ALA N . 10029 1 865 . 1 1 78 78 ILE H H 1 7.896 0.030 . 1 . . . . 78 ILE H . 10029 1 866 . 1 1 78 78 ILE HA H 1 3.721 0.030 . 1 . . . . 78 ILE HA . 10029 1 867 . 1 1 78 78 ILE HB H 1 2.120 0.030 . 1 . . . . 78 ILE HB . 10029 1 868 . 1 1 78 78 ILE HG12 H 1 1.532 0.030 . 2 . . . . 78 ILE HG12 . 10029 1 869 . 1 1 78 78 ILE HG13 H 1 1.436 0.030 . 2 . . . . 78 ILE HG13 . 10029 1 870 . 1 1 78 78 ILE HG21 H 1 0.946 0.030 . 1 . . . . 78 ILE HG2 . 10029 1 871 . 1 1 78 78 ILE HG22 H 1 0.946 0.030 . 1 . . . . 78 ILE HG2 . 10029 1 872 . 1 1 78 78 ILE HG23 H 1 0.946 0.030 . 1 . . . . 78 ILE HG2 . 10029 1 873 . 1 1 78 78 ILE HD11 H 1 0.739 0.030 . 1 . . . . 78 ILE HD1 . 10029 1 874 . 1 1 78 78 ILE HD12 H 1 0.739 0.030 . 1 . . . . 78 ILE HD1 . 10029 1 875 . 1 1 78 78 ILE HD13 H 1 0.739 0.030 . 1 . . . . 78 ILE HD1 . 10029 1 876 . 1 1 78 78 ILE C C 13 179.105 0.300 . 1 . . . . 78 ILE C . 10029 1 877 . 1 1 78 78 ILE CA C 13 62.921 0.300 . 1 . . . . 78 ILE CA . 10029 1 878 . 1 1 78 78 ILE CB C 13 36.339 0.300 . 1 . . . . 78 ILE CB . 10029 1 879 . 1 1 78 78 ILE CG1 C 13 27.271 0.300 . 1 . . . . 78 ILE CG1 . 10029 1 880 . 1 1 78 78 ILE CG2 C 13 17.664 0.300 . 1 . . . . 78 ILE CG2 . 10029 1 881 . 1 1 78 78 ILE CD1 C 13 10.623 0.300 . 1 . . . . 78 ILE CD1 . 10029 1 882 . 1 1 78 78 ILE N N 15 114.607 0.300 . 1 . . . . 78 ILE N . 10029 1 883 . 1 1 79 79 GLU H H 1 7.857 0.030 . 1 . . . . 79 GLU H . 10029 1 884 . 1 1 79 79 GLU HA H 1 4.065 0.030 . 1 . . . . 79 GLU HA . 10029 1 885 . 1 1 79 79 GLU HB2 H 1 2.250 0.030 . 1 . . . . 79 GLU HB2 . 10029 1 886 . 1 1 79 79 GLU HB3 H 1 2.250 0.030 . 1 . . . . 79 GLU HB3 . 10029 1 887 . 1 1 79 79 GLU HG2 H 1 2.385 0.030 . 2 . . . . 79 GLU HG2 . 10029 1 888 . 1 1 79 79 GLU HG3 H 1 2.250 0.030 . 2 . . . . 79 GLU HG3 . 10029 1 889 . 1 1 79 79 GLU C C 13 179.858 0.300 . 1 . . . . 79 GLU C . 10029 1 890 . 1 1 79 79 GLU CA C 13 59.432 0.300 . 1 . . . . 79 GLU CA . 10029 1 891 . 1 1 79 79 GLU CB C 13 29.868 0.300 . 1 . . . . 79 GLU CB . 10029 1 892 . 1 1 79 79 GLU CG C 13 36.101 0.300 . 1 . . . . 79 GLU CG . 10029 1 893 . 1 1 79 79 GLU N N 15 121.928 0.300 . 1 . . . . 79 GLU N . 10029 1 894 . 1 1 80 80 LEU H H 1 8.916 0.030 . 1 . . . . 80 LEU H . 10029 1 895 . 1 1 80 80 LEU HA H 1 4.083 0.030 . 1 . . . . 80 LEU HA . 10029 1 896 . 1 1 80 80 LEU HB2 H 1 1.986 0.030 . 2 . . . . 80 LEU HB2 . 10029 1 897 . 1 1 80 80 LEU HB3 H 1 1.284 0.030 . 2 . . . . 80 LEU HB3 . 10029 1 898 . 1 1 80 80 LEU HG H 1 1.633 0.030 . 1 . . . . 80 LEU HG . 10029 1 899 . 1 1 80 80 LEU HD11 H 1 0.911 0.030 . 1 . . . . 80 LEU HD1 . 10029 1 900 . 1 1 80 80 LEU HD12 H 1 0.911 0.030 . 1 . . . . 80 LEU HD1 . 10029 1 901 . 1 1 80 80 LEU HD13 H 1 0.911 0.030 . 1 . . . . 80 LEU HD1 . 10029 1 902 . 1 1 80 80 LEU HD21 H 1 0.897 0.030 . 1 . . . . 80 LEU HD2 . 10029 1 903 . 1 1 80 80 LEU HD22 H 1 0.897 0.030 . 1 . . . . 80 LEU HD2 . 10029 1 904 . 1 1 80 80 LEU HD23 H 1 0.897 0.030 . 1 . . . . 80 LEU HD2 . 10029 1 905 . 1 1 80 80 LEU C C 13 180.283 0.300 . 1 . . . . 80 LEU C . 10029 1 906 . 1 1 80 80 LEU CA C 13 57.790 0.300 . 1 . . . . 80 LEU CA . 10029 1 907 . 1 1 80 80 LEU CB C 13 43.198 0.300 . 1 . . . . 80 LEU CB . 10029 1 908 . 1 1 80 80 LEU CG C 13 27.482 0.300 . 1 . . . . 80 LEU CG . 10029 1 909 . 1 1 80 80 LEU CD1 C 13 26.188 0.300 . 2 . . . . 80 LEU CD1 . 10029 1 910 . 1 1 80 80 LEU CD2 C 13 23.700 0.300 . 2 . . . . 80 LEU CD2 . 10029 1 911 . 1 1 80 80 LEU N N 15 122.149 0.300 . 1 . . . . 80 LEU N . 10029 1 912 . 1 1 81 81 ILE H H 1 8.082 0.030 . 1 . . . . 81 ILE H . 10029 1 913 . 1 1 81 81 ILE HA H 1 3.569 0.030 . 1 . . . . 81 ILE HA . 10029 1 914 . 1 1 81 81 ILE HB H 1 1.907 0.030 . 1 . . . . 81 ILE HB . 10029 1 915 . 1 1 81 81 ILE HG12 H 1 2.038 0.030 . 2 . . . . 81 ILE HG12 . 10029 1 916 . 1 1 81 81 ILE HG13 H 1 0.763 0.030 . 2 . . . . 81 ILE HG13 . 10029 1 917 . 1 1 81 81 ILE HG21 H 1 0.912 0.030 . 1 . . . . 81 ILE HG2 . 10029 1 918 . 1 1 81 81 ILE HG22 H 1 0.912 0.030 . 1 . . . . 81 ILE HG2 . 10029 1 919 . 1 1 81 81 ILE HG23 H 1 0.912 0.030 . 1 . . . . 81 ILE HG2 . 10029 1 920 . 1 1 81 81 ILE HD11 H 1 0.769 0.030 . 1 . . . . 81 ILE HD1 . 10029 1 921 . 1 1 81 81 ILE HD12 H 1 0.769 0.030 . 1 . . . . 81 ILE HD1 . 10029 1 922 . 1 1 81 81 ILE HD13 H 1 0.769 0.030 . 1 . . . . 81 ILE HD1 . 10029 1 923 . 1 1 81 81 ILE C C 13 179.445 0.300 . 1 . . . . 81 ILE C . 10029 1 924 . 1 1 81 81 ILE CA C 13 65.171 0.300 . 1 . . . . 81 ILE CA . 10029 1 925 . 1 1 81 81 ILE CB C 13 38.313 0.300 . 1 . . . . 81 ILE CB . 10029 1 926 . 1 1 81 81 ILE CG1 C 13 30.600 0.300 . 1 . . . . 81 ILE CG1 . 10029 1 927 . 1 1 81 81 ILE CG2 C 13 17.726 0.300 . 1 . . . . 81 ILE CG2 . 10029 1 928 . 1 1 81 81 ILE CD1 C 13 13.651 0.300 . 1 . . . . 81 ILE CD1 . 10029 1 929 . 1 1 81 81 ILE N N 15 120.142 0.300 . 1 . . . . 81 ILE N . 10029 1 930 . 1 1 82 82 LYS H H 1 8.179 0.030 . 1 . . . . 82 LYS H . 10029 1 931 . 1 1 82 82 LYS HA H 1 4.254 0.030 . 1 . . . . 82 LYS HA . 10029 1 932 . 1 1 82 82 LYS HB2 H 1 2.021 0.030 . 1 . . . . 82 LYS HB2 . 10029 1 933 . 1 1 82 82 LYS HB3 H 1 2.021 0.030 . 1 . . . . 82 LYS HB3 . 10029 1 934 . 1 1 82 82 LYS HG2 H 1 1.669 0.030 . 2 . . . . 82 LYS HG2 . 10029 1 935 . 1 1 82 82 LYS HG3 H 1 1.516 0.030 . 2 . . . . 82 LYS HG3 . 10029 1 936 . 1 1 82 82 LYS HD2 H 1 1.736 0.030 . 1 . . . . 82 LYS HD2 . 10029 1 937 . 1 1 82 82 LYS HD3 H 1 1.736 0.030 . 1 . . . . 82 LYS HD3 . 10029 1 938 . 1 1 82 82 LYS HE2 H 1 2.996 0.030 . 1 . . . . 82 LYS HE2 . 10029 1 939 . 1 1 82 82 LYS HE3 H 1 2.996 0.030 . 1 . . . . 82 LYS HE3 . 10029 1 940 . 1 1 82 82 LYS C C 13 179.785 0.300 . 1 . . . . 82 LYS C . 10029 1 941 . 1 1 82 82 LYS CA C 13 59.589 0.300 . 1 . . . . 82 LYS CA . 10029 1 942 . 1 1 82 82 LYS CB C 13 32.702 0.300 . 1 . . . . 82 LYS CB . 10029 1 943 . 1 1 82 82 LYS CG C 13 25.369 0.300 . 1 . . . . 82 LYS CG . 10029 1 944 . 1 1 82 82 LYS CD C 13 29.614 0.300 . 1 . . . . 82 LYS CD . 10029 1 945 . 1 1 82 82 LYS CE C 13 42.093 0.300 . 1 . . . . 82 LYS CE . 10029 1 946 . 1 1 82 82 LYS N N 15 119.762 0.300 . 1 . . . . 82 LYS N . 10029 1 947 . 1 1 83 83 SER H H 1 8.542 0.030 . 1 . . . . 83 SER H . 10029 1 948 . 1 1 83 83 SER HA H 1 4.406 0.030 . 1 . . . . 83 SER HA . 10029 1 949 . 1 1 83 83 SER HB2 H 1 4.112 0.030 . 1 . . . . 83 SER HB2 . 10029 1 950 . 1 1 83 83 SER HB3 H 1 4.112 0.030 . 1 . . . . 83 SER HB3 . 10029 1 951 . 1 1 83 83 SER C C 13 175.816 0.300 . 1 . . . . 83 SER C . 10029 1 952 . 1 1 83 83 SER CA C 13 60.871 0.300 . 1 . . . . 83 SER CA . 10029 1 953 . 1 1 83 83 SER CB C 13 63.552 0.300 . 1 . . . . 83 SER CB . 10029 1 954 . 1 1 83 83 SER N N 15 114.909 0.300 . 1 . . . . 83 SER N . 10029 1 955 . 1 1 84 84 GLY H H 1 7.711 0.030 . 1 . . . . 84 GLY H . 10029 1 956 . 1 1 84 84 GLY HA2 H 1 4.302 0.030 . 2 . . . . 84 GLY HA2 . 10029 1 957 . 1 1 84 84 GLY HA3 H 1 4.208 0.030 . 2 . . . . 84 GLY HA3 . 10029 1 958 . 1 1 84 84 GLY C C 13 175.124 0.300 . 1 . . . . 84 GLY C . 10029 1 959 . 1 1 84 84 GLY CA C 13 45.947 0.300 . 1 . . . . 84 GLY CA . 10029 1 960 . 1 1 84 84 GLY N N 15 109.131 0.300 . 1 . . . . 84 GLY N . 10029 1 961 . 1 1 85 85 GLY H H 1 7.746 0.030 . 1 . . . . 85 GLY H . 10029 1 962 . 1 1 85 85 GLY HA2 H 1 4.260 0.030 . 2 . . . . 85 GLY HA2 . 10029 1 963 . 1 1 85 85 GLY HA3 H 1 3.792 0.030 . 2 . . . . 85 GLY HA3 . 10029 1 964 . 1 1 85 85 GLY C C 13 174.747 0.300 . 1 . . . . 85 GLY C . 10029 1 965 . 1 1 85 85 GLY CA C 13 46.250 0.300 . 1 . . . . 85 GLY CA . 10029 1 966 . 1 1 85 85 GLY N N 15 107.368 0.300 . 1 . . . . 85 GLY N . 10029 1 967 . 1 1 86 86 ARG H H 1 8.796 0.030 . 1 . . . . 86 ARG H . 10029 1 968 . 1 1 86 86 ARG HA H 1 4.098 0.030 . 1 . . . . 86 ARG HA . 10029 1 969 . 1 1 86 86 ARG HB2 H 1 2.101 0.030 . 2 . . . . 86 ARG HB2 . 10029 1 970 . 1 1 86 86 ARG HB3 H 1 1.972 0.030 . 2 . . . . 86 ARG HB3 . 10029 1 971 . 1 1 86 86 ARG HG2 H 1 1.820 0.030 . 2 . . . . 86 ARG HG2 . 10029 1 972 . 1 1 86 86 ARG HG3 H 1 1.757 0.030 . 2 . . . . 86 ARG HG3 . 10029 1 973 . 1 1 86 86 ARG HD2 H 1 3.282 0.030 . 1 . . . . 86 ARG HD2 . 10029 1 974 . 1 1 86 86 ARG HD3 H 1 3.282 0.030 . 1 . . . . 86 ARG HD3 . 10029 1 975 . 1 1 86 86 ARG C C 13 174.687 0.300 . 1 . . . . 86 ARG C . 10029 1 976 . 1 1 86 86 ARG CA C 13 57.786 0.300 . 1 . . . . 86 ARG CA . 10029 1 977 . 1 1 86 86 ARG CB C 13 30.836 0.300 . 1 . . . . 86 ARG CB . 10029 1 978 . 1 1 86 86 ARG CG C 13 27.761 0.300 . 1 . . . . 86 ARG CG . 10029 1 979 . 1 1 86 86 ARG CD C 13 43.311 0.300 . 1 . . . . 86 ARG CD . 10029 1 980 . 1 1 86 86 ARG N N 15 123.567 0.300 . 1 . . . . 86 ARG N . 10029 1 981 . 1 1 87 87 ARG H H 1 7.647 0.030 . 1 . . . . 87 ARG H . 10029 1 982 . 1 1 87 87 ARG HA H 1 5.724 0.030 . 1 . . . . 87 ARG HA . 10029 1 983 . 1 1 87 87 ARG HB2 H 1 1.862 0.030 . 2 . . . . 87 ARG HB2 . 10029 1 984 . 1 1 87 87 ARG HB3 H 1 1.708 0.030 . 2 . . . . 87 ARG HB3 . 10029 1 985 . 1 1 87 87 ARG HG2 H 1 1.660 0.030 . 2 . . . . 87 ARG HG2 . 10029 1 986 . 1 1 87 87 ARG HG3 H 1 1.488 0.030 . 2 . . . . 87 ARG HG3 . 10029 1 987 . 1 1 87 87 ARG HD2 H 1 3.207 0.030 . 2 . . . . 87 ARG HD2 . 10029 1 988 . 1 1 87 87 ARG HD3 H 1 3.122 0.030 . 2 . . . . 87 ARG HD3 . 10029 1 989 . 1 1 87 87 ARG HE H 1 7.854 0.030 . 1 . . . . 87 ARG HE . 10029 1 990 . 1 1 87 87 ARG C C 13 175.087 0.300 . 1 . . . . 87 ARG C . 10029 1 991 . 1 1 87 87 ARG CA C 13 54.417 0.300 . 1 . . . . 87 ARG CA . 10029 1 992 . 1 1 87 87 ARG CB C 13 34.714 0.300 . 1 . . . . 87 ARG CB . 10029 1 993 . 1 1 87 87 ARG CG C 13 27.798 0.300 . 1 . . . . 87 ARG CG . 10029 1 994 . 1 1 87 87 ARG CD C 13 43.205 0.300 . 1 . . . . 87 ARG CD . 10029 1 995 . 1 1 87 87 ARG N N 15 116.328 0.300 . 1 . . . . 87 ARG N . 10029 1 996 . 1 1 87 87 ARG NE N 15 84.947 0.300 . 1 . . . . 87 ARG NE . 10029 1 997 . 1 1 88 88 VAL H H 1 8.572 0.030 . 1 . . . . 88 VAL H . 10029 1 998 . 1 1 88 88 VAL HA H 1 4.693 0.030 . 1 . . . . 88 VAL HA . 10029 1 999 . 1 1 88 88 VAL HB H 1 1.172 0.030 . 1 . . . . 88 VAL HB . 10029 1 1000 . 1 1 88 88 VAL HG11 H 1 0.234 0.030 . 1 . . . . 88 VAL HG1 . 10029 1 1001 . 1 1 88 88 VAL HG12 H 1 0.234 0.030 . 1 . . . . 88 VAL HG1 . 10029 1 1002 . 1 1 88 88 VAL HG13 H 1 0.234 0.030 . 1 . . . . 88 VAL HG1 . 10029 1 1003 . 1 1 88 88 VAL HG21 H 1 0.774 0.030 . 1 . . . . 88 VAL HG2 . 10029 1 1004 . 1 1 88 88 VAL HG22 H 1 0.774 0.030 . 1 . . . . 88 VAL HG2 . 10029 1 1005 . 1 1 88 88 VAL HG23 H 1 0.774 0.030 . 1 . . . . 88 VAL HG2 . 10029 1 1006 . 1 1 88 88 VAL C C 13 171.033 0.300 . 1 . . . . 88 VAL C . 10029 1 1007 . 1 1 88 88 VAL CA C 13 59.556 0.300 . 1 . . . . 88 VAL CA . 10029 1 1008 . 1 1 88 88 VAL CB C 13 34.584 0.300 . 1 . . . . 88 VAL CB . 10029 1 1009 . 1 1 88 88 VAL CG1 C 13 20.601 0.300 . 2 . . . . 88 VAL CG1 . 10029 1 1010 . 1 1 88 88 VAL CG2 C 13 22.551 0.300 . 2 . . . . 88 VAL CG2 . 10029 1 1011 . 1 1 88 88 VAL N N 15 120.835 0.300 . 1 . . . . 88 VAL N . 10029 1 1012 . 1 1 89 89 ARG H H 1 8.105 0.030 . 1 . . . . 89 ARG H . 10029 1 1013 . 1 1 89 89 ARG HA H 1 5.361 0.030 . 1 . . . . 89 ARG HA . 10029 1 1014 . 1 1 89 89 ARG HB2 H 1 1.747 0.030 . 1 . . . . 89 ARG HB2 . 10029 1 1015 . 1 1 89 89 ARG HB3 H 1 1.747 0.030 . 1 . . . . 89 ARG HB3 . 10029 1 1016 . 1 1 89 89 ARG HG2 H 1 1.538 0.030 . 1 . . . . 89 ARG HG2 . 10029 1 1017 . 1 1 89 89 ARG HG3 H 1 1.538 0.030 . 1 . . . . 89 ARG HG3 . 10029 1 1018 . 1 1 89 89 ARG HD2 H 1 3.100 0.030 . 1 . . . . 89 ARG HD2 . 10029 1 1019 . 1 1 89 89 ARG HD3 H 1 3.100 0.030 . 1 . . . . 89 ARG HD3 . 10029 1 1020 . 1 1 89 89 ARG HE H 1 7.521 0.030 . 1 . . . . 89 ARG HE . 10029 1 1021 . 1 1 89 89 ARG C C 13 175.306 0.300 . 1 . . . . 89 ARG C . 10029 1 1022 . 1 1 89 89 ARG CA C 13 54.237 0.300 . 1 . . . . 89 ARG CA . 10029 1 1023 . 1 1 89 89 ARG CB C 13 32.549 0.300 . 1 . . . . 89 ARG CB . 10029 1 1024 . 1 1 89 89 ARG CG C 13 27.318 0.300 . 1 . . . . 89 ARG CG . 10029 1 1025 . 1 1 89 89 ARG CD C 13 43.661 0.300 . 1 . . . . 89 ARG CD . 10029 1 1026 . 1 1 89 89 ARG N N 15 125.682 0.300 . 1 . . . . 89 ARG N . 10029 1 1027 . 1 1 89 89 ARG NE N 15 85.026 0.300 . 1 . . . . 89 ARG NE . 10029 1 1028 . 1 1 90 90 LEU H H 1 8.947 0.030 . 1 . . . . 90 LEU H . 10029 1 1029 . 1 1 90 90 LEU HA H 1 5.161 0.030 . 1 . . . . 90 LEU HA . 10029 1 1030 . 1 1 90 90 LEU HB2 H 1 1.458 0.030 . 2 . . . . 90 LEU HB2 . 10029 1 1031 . 1 1 90 90 LEU HB3 H 1 1.124 0.030 . 2 . . . . 90 LEU HB3 . 10029 1 1032 . 1 1 90 90 LEU HG H 1 1.355 0.030 . 1 . . . . 90 LEU HG . 10029 1 1033 . 1 1 90 90 LEU HD11 H 1 0.334 0.030 . 1 . . . . 90 LEU HD1 . 10029 1 1034 . 1 1 90 90 LEU HD12 H 1 0.334 0.030 . 1 . . . . 90 LEU HD1 . 10029 1 1035 . 1 1 90 90 LEU HD13 H 1 0.334 0.030 . 1 . . . . 90 LEU HD1 . 10029 1 1036 . 1 1 90 90 LEU HD21 H 1 0.790 0.030 . 1 . . . . 90 LEU HD2 . 10029 1 1037 . 1 1 90 90 LEU HD22 H 1 0.790 0.030 . 1 . . . . 90 LEU HD2 . 10029 1 1038 . 1 1 90 90 LEU HD23 H 1 0.790 0.030 . 1 . . . . 90 LEU HD2 . 10029 1 1039 . 1 1 90 90 LEU C C 13 174.928 0.300 . 1 . . . . 90 LEU C . 10029 1 1040 . 1 1 90 90 LEU CA C 13 52.647 0.300 . 1 . . . . 90 LEU CA . 10029 1 1041 . 1 1 90 90 LEU CB C 13 46.241 0.300 . 1 . . . . 90 LEU CB . 10029 1 1042 . 1 1 90 90 LEU CG C 13 26.527 0.300 . 1 . . . . 90 LEU CG . 10029 1 1043 . 1 1 90 90 LEU CD1 C 13 26.491 0.300 . 2 . . . . 90 LEU CD1 . 10029 1 1044 . 1 1 90 90 LEU CD2 C 13 25.224 0.300 . 2 . . . . 90 LEU CD2 . 10029 1 1045 . 1 1 90 90 LEU N N 15 122.339 0.300 . 1 . . . . 90 LEU N . 10029 1 1046 . 1 1 91 91 LEU H H 1 8.086 0.030 . 1 . . . . 91 LEU H . 10029 1 1047 . 1 1 91 91 LEU HA H 1 4.615 0.030 . 1 . . . . 91 LEU HA . 10029 1 1048 . 1 1 91 91 LEU HB2 H 1 1.764 0.030 . 2 . . . . 91 LEU HB2 . 10029 1 1049 . 1 1 91 91 LEU HB3 H 1 1.301 0.030 . 2 . . . . 91 LEU HB3 . 10029 1 1050 . 1 1 91 91 LEU HG H 1 1.309 0.030 . 1 . . . . 91 LEU HG . 10029 1 1051 . 1 1 91 91 LEU HD11 H 1 0.738 0.030 . 1 . . . . 91 LEU HD1 . 10029 1 1052 . 1 1 91 91 LEU HD12 H 1 0.738 0.030 . 1 . . . . 91 LEU HD1 . 10029 1 1053 . 1 1 91 91 LEU HD13 H 1 0.738 0.030 . 1 . . . . 91 LEU HD1 . 10029 1 1054 . 1 1 91 91 LEU HD21 H 1 0.706 0.030 . 1 . . . . 91 LEU HD2 . 10029 1 1055 . 1 1 91 91 LEU HD22 H 1 0.706 0.030 . 1 . . . . 91 LEU HD2 . 10029 1 1056 . 1 1 91 91 LEU HD23 H 1 0.706 0.030 . 1 . . . . 91 LEU HD2 . 10029 1 1057 . 1 1 91 91 LEU C C 13 174.796 0.300 . 1 . . . . 91 LEU C . 10029 1 1058 . 1 1 91 91 LEU CA C 13 54.894 0.300 . 1 . . . . 91 LEU CA . 10029 1 1059 . 1 1 91 91 LEU CB C 13 45.456 0.300 . 1 . . . . 91 LEU CB . 10029 1 1060 . 1 1 91 91 LEU CG C 13 28.982 0.300 . 1 . . . . 91 LEU CG . 10029 1 1061 . 1 1 91 91 LEU CD1 C 13 24.338 0.300 . 2 . . . . 91 LEU CD1 . 10029 1 1062 . 1 1 91 91 LEU CD2 C 13 25.980 0.300 . 2 . . . . 91 LEU CD2 . 10029 1 1063 . 1 1 91 91 LEU N N 15 125.682 0.300 . 1 . . . . 91 LEU N . 10029 1 1064 . 1 1 92 92 LEU H H 1 8.984 0.030 . 1 . . . . 92 LEU H . 10029 1 1065 . 1 1 92 92 LEU HA H 1 5.105 0.030 . 1 . . . . 92 LEU HA . 10029 1 1066 . 1 1 92 92 LEU HB2 H 1 0.728 0.030 . 2 . . . . 92 LEU HB2 . 10029 1 1067 . 1 1 92 92 LEU HB3 H 1 0.274 0.030 . 2 . . . . 92 LEU HB3 . 10029 1 1068 . 1 1 92 92 LEU HG H 1 1.082 0.030 . 1 . . . . 92 LEU HG . 10029 1 1069 . 1 1 92 92 LEU HD11 H 1 0.697 0.030 . 1 . . . . 92 LEU HD1 . 10029 1 1070 . 1 1 92 92 LEU HD12 H 1 0.697 0.030 . 1 . . . . 92 LEU HD1 . 10029 1 1071 . 1 1 92 92 LEU HD13 H 1 0.697 0.030 . 1 . . . . 92 LEU HD1 . 10029 1 1072 . 1 1 92 92 LEU HD21 H 1 0.594 0.030 . 1 . . . . 92 LEU HD2 . 10029 1 1073 . 1 1 92 92 LEU HD22 H 1 0.594 0.030 . 1 . . . . 92 LEU HD2 . 10029 1 1074 . 1 1 92 92 LEU HD23 H 1 0.594 0.030 . 1 . . . . 92 LEU HD2 . 10029 1 1075 . 1 1 92 92 LEU C C 13 172.629 0.300 . 1 . . . . 92 LEU C . 10029 1 1076 . 1 1 92 92 LEU CA C 13 52.845 0.300 . 1 . . . . 92 LEU CA . 10029 1 1077 . 1 1 92 92 LEU CB C 13 45.084 0.300 . 1 . . . . 92 LEU CB . 10029 1 1078 . 1 1 92 92 LEU CG C 13 27.476 0.300 . 1 . . . . 92 LEU CG . 10029 1 1079 . 1 1 92 92 LEU CD1 C 13 27.311 0.300 . 2 . . . . 92 LEU CD1 . 10029 1 1080 . 1 1 92 92 LEU CD2 C 13 26.695 0.300 . 2 . . . . 92 LEU CD2 . 10029 1 1081 . 1 1 92 92 LEU N N 15 128.579 0.300 . 1 . . . . 92 LEU N . 10029 1 1082 . 1 1 93 93 LYS H H 1 7.693 0.030 . 1 . . . . 93 LYS H . 10029 1 1083 . 1 1 93 93 LYS HB2 H 1 1.130 0.030 . 2 . . . . 93 LYS HB2 . 10029 1 1084 . 1 1 93 93 LYS HB3 H 1 0.920 0.030 . 2 . . . . 93 LYS HB3 . 10029 1 1085 . 1 1 93 93 LYS HG2 H 1 0.691 0.030 . 2 . . . . 93 LYS HG2 . 10029 1 1086 . 1 1 93 93 LYS HG3 H 1 0.026 0.030 . 2 . . . . 93 LYS HG3 . 10029 1 1087 . 1 1 93 93 LYS HD2 H 1 1.202 0.030 . 2 . . . . 93 LYS HD2 . 10029 1 1088 . 1 1 93 93 LYS HD3 H 1 1.112 0.030 . 2 . . . . 93 LYS HD3 . 10029 1 1089 . 1 1 93 93 LYS HE2 H 1 2.384 0.030 . 1 . . . . 93 LYS HE2 . 10029 1 1090 . 1 1 93 93 LYS HE3 H 1 2.384 0.030 . 1 . . . . 93 LYS HE3 . 10029 1 1091 . 1 1 93 93 LYS C C 13 172.659 0.300 . 1 . . . . 93 LYS C . 10029 1 1092 . 1 1 93 93 LYS CB C 13 37.420 0.300 . 1 . . . . 93 LYS CB . 10029 1 1093 . 1 1 93 93 LYS CG C 13 24.630 0.300 . 1 . . . . 93 LYS CG . 10029 1 1094 . 1 1 93 93 LYS CD C 13 30.036 0.300 . 1 . . . . 93 LYS CD . 10029 1 1095 . 1 1 93 93 LYS CE C 13 41.923 0.300 . 1 . . . . 93 LYS CE . 10029 1 1096 . 1 1 93 93 LYS N N 15 119.551 0.300 . 1 . . . . 93 LYS N . 10029 1 1097 . 1 1 94 94 ARG H H 1 8.389 0.030 . 1 . . . . 94 ARG H . 10029 1 1098 . 1 1 94 94 ARG HA H 1 4.643 0.030 . 1 . . . . 94 ARG HA . 10029 1 1099 . 1 1 94 94 ARG HB2 H 1 1.884 0.030 . 2 . . . . 94 ARG HB2 . 10029 1 1100 . 1 1 94 94 ARG HG2 H 1 1.819 0.030 . 2 . . . . 94 ARG HG2 . 10029 1 1101 . 1 1 94 94 ARG HG3 H 1 1.775 0.030 . 2 . . . . 94 ARG HG3 . 10029 1 1102 . 1 1 94 94 ARG HD2 H 1 3.304 0.030 . 2 . . . . 94 ARG HD2 . 10029 1 1103 . 1 1 94 94 ARG HD3 H 1 3.161 0.030 . 2 . . . . 94 ARG HD3 . 10029 1 1104 . 1 1 94 94 ARG C C 13 176.301 0.300 . 1 . . . . 94 ARG C . 10029 1 1105 . 1 1 94 94 ARG CA C 13 55.438 0.300 . 1 . . . . 94 ARG CA . 10029 1 1106 . 1 1 94 94 ARG CB C 13 31.992 0.300 . 1 . . . . 94 ARG CB . 10029 1 1107 . 1 1 94 94 ARG CG C 13 26.078 0.300 . 1 . . . . 94 ARG CG . 10029 1 1108 . 1 1 94 94 ARG CD C 13 42.913 0.300 . 1 . . . . 94 ARG CD . 10029 1 1109 . 1 1 94 94 ARG N N 15 118.729 0.300 . 1 . . . . 94 ARG N . 10029 1 1110 . 1 1 95 95 GLY H H 1 9.043 0.030 . 1 . . . . 95 GLY H . 10029 1 1111 . 1 1 95 95 GLY HA2 H 1 4.323 0.030 . 2 . . . . 95 GLY HA2 . 10029 1 1112 . 1 1 95 95 GLY HA3 H 1 3.863 0.030 . 2 . . . . 95 GLY HA3 . 10029 1 1113 . 1 1 95 95 GLY C C 13 174.334 0.300 . 1 . . . . 95 GLY C . 10029 1 1114 . 1 1 95 95 GLY CA C 13 45.370 0.300 . 1 . . . . 95 GLY CA . 10029 1 1115 . 1 1 95 95 GLY N N 15 114.434 0.300 . 1 . . . . 95 GLY N . 10029 1 1116 . 1 1 96 96 THR H H 1 8.171 0.030 . 1 . . . . 96 THR H . 10029 1 1117 . 1 1 96 96 THR HA H 1 4.359 0.030 . 1 . . . . 96 THR HA . 10029 1 1118 . 1 1 96 96 THR HB H 1 4.276 0.030 . 1 . . . . 96 THR HB . 10029 1 1119 . 1 1 96 96 THR HG21 H 1 1.181 0.030 . 1 . . . . 96 THR HG2 . 10029 1 1120 . 1 1 96 96 THR HG22 H 1 1.181 0.030 . 1 . . . . 96 THR HG2 . 10029 1 1121 . 1 1 96 96 THR HG23 H 1 1.181 0.030 . 1 . . . . 96 THR HG2 . 10029 1 1122 . 1 1 96 96 THR C C 13 175.536 0.300 . 1 . . . . 96 THR C . 10029 1 1123 . 1 1 96 96 THR CA C 13 61.879 0.300 . 1 . . . . 96 THR CA . 10029 1 1124 . 1 1 96 96 THR CB C 13 69.885 0.300 . 1 . . . . 96 THR CB . 10029 1 1125 . 1 1 96 96 THR CG2 C 13 21.624 0.300 . 1 . . . . 96 THR CG2 . 10029 1 1126 . 1 1 96 96 THR N N 15 113.573 0.300 . 1 . . . . 96 THR N . 10029 1 1127 . 1 1 97 97 GLY H H 1 8.475 0.030 . 1 . . . . 97 GLY H . 10029 1 1128 . 1 1 97 97 GLY HA2 H 1 4.023 0.030 . 1 . . . . 97 GLY HA2 . 10029 1 1129 . 1 1 97 97 GLY HA3 H 1 4.023 0.030 . 1 . . . . 97 GLY HA3 . 10029 1 1130 . 1 1 97 97 GLY C C 13 174.165 0.300 . 1 . . . . 97 GLY C . 10029 1 1131 . 1 1 97 97 GLY CA C 13 45.581 0.300 . 1 . . . . 97 GLY CA . 10029 1 1132 . 1 1 97 97 GLY N N 15 111.234 0.300 . 1 . . . . 97 GLY N . 10029 1 1133 . 1 1 98 98 SER H H 1 8.240 0.030 . 1 . . . . 98 SER H . 10029 1 1134 . 1 1 98 98 SER HA H 1 4.507 0.030 . 1 . . . . 98 SER HA . 10029 1 1135 . 1 1 98 98 SER HB2 H 1 3.860 0.030 . 1 . . . . 98 SER HB2 . 10029 1 1136 . 1 1 98 98 SER HB3 H 1 3.860 0.030 . 1 . . . . 98 SER HB3 . 10029 1 1137 . 1 1 98 98 SER C C 13 174.602 0.300 . 1 . . . . 98 SER C . 10029 1 1138 . 1 1 98 98 SER CA C 13 58.268 0.300 . 1 . . . . 98 SER CA . 10029 1 1139 . 1 1 98 98 SER CB C 13 64.124 0.300 . 1 . . . . 98 SER CB . 10029 1 1140 . 1 1 98 98 SER N N 15 115.507 0.300 . 1 . . . . 98 SER N . 10029 1 1141 . 1 1 99 99 GLY H H 1 8.320 0.030 . 1 . . . . 99 GLY H . 10029 1 1142 . 1 1 99 99 GLY HA2 H 1 4.119 0.030 . 2 . . . . 99 GLY HA2 . 10029 1 1143 . 1 1 99 99 GLY HA3 H 1 4.072 0.030 . 2 . . . . 99 GLY HA3 . 10029 1 1144 . 1 1 99 99 GLY C C 13 171.785 0.300 . 1 . . . . 99 GLY C . 10029 1 1145 . 1 1 99 99 GLY CA C 13 44.653 0.300 . 1 . . . . 99 GLY CA . 10029 1 1146 . 1 1 99 99 GLY N N 15 110.740 0.300 . 1 . . . . 99 GLY N . 10029 1 1147 . 1 1 100 100 PRO HA H 1 4.471 0.030 . 1 . . . . 100 PRO HA . 10029 1 1148 . 1 1 100 100 PRO HB2 H 1 2.287 0.030 . 2 . . . . 100 PRO HB2 . 10029 1 1149 . 1 1 100 100 PRO HB3 H 1 1.976 0.030 . 2 . . . . 100 PRO HB3 . 10029 1 1150 . 1 1 100 100 PRO HG2 H 1 1.991 0.030 . 1 . . . . 100 PRO HG2 . 10029 1 1151 . 1 1 100 100 PRO HG3 H 1 1.991 0.030 . 1 . . . . 100 PRO HG3 . 10029 1 1152 . 1 1 100 100 PRO HD2 H 1 3.596 0.030 . 2 . . . . 100 PRO HD2 . 10029 1 1153 . 1 1 100 100 PRO HD3 H 1 3.563 0.030 . 2 . . . . 100 PRO HD3 . 10029 1 1154 . 1 1 100 100 PRO C C 13 177.369 0.300 . 1 . . . . 100 PRO C . 10029 1 1155 . 1 1 100 100 PRO CA C 13 63.287 0.300 . 1 . . . . 100 PRO CA . 10029 1 1156 . 1 1 100 100 PRO CB C 13 32.207 0.300 . 1 . . . . 100 PRO CB . 10029 1 1157 . 1 1 100 100 PRO CG C 13 27.183 0.300 . 1 . . . . 100 PRO CG . 10029 1 1158 . 1 1 100 100 PRO CD C 13 49.779 0.300 . 1 . . . . 100 PRO CD . 10029 1 1159 . 1 1 101 101 SER H H 1 8.509 0.030 . 1 . . . . 101 SER H . 10029 1 1160 . 1 1 101 101 SER HA H 1 4.554 0.030 . 1 . . . . 101 SER HA . 10029 1 1161 . 1 1 101 101 SER HB2 H 1 3.947 0.030 . 1 . . . . 101 SER HB2 . 10029 1 1162 . 1 1 101 101 SER HB3 H 1 3.947 0.030 . 1 . . . . 101 SER HB3 . 10029 1 1163 . 1 1 101 101 SER C C 13 174.650 0.300 . 1 . . . . 101 SER C . 10029 1 1164 . 1 1 101 101 SER CA C 13 58.713 0.300 . 1 . . . . 101 SER CA . 10029 1 1165 . 1 1 101 101 SER CB C 13 63.997 0.300 . 1 . . . . 101 SER CB . 10029 1 1166 . 1 1 101 101 SER N N 15 116.354 0.300 . 1 . . . . 101 SER N . 10029 1 1167 . 1 1 102 102 SER H H 1 8.297 0.030 . 1 . . . . 102 SER H . 10029 1 1168 . 1 1 102 102 SER HA H 1 4.505 0.030 . 1 . . . . 102 SER HA . 10029 1 1169 . 1 1 102 102 SER HB2 H 1 3.860 0.030 . 1 . . . . 102 SER HB2 . 10029 1 1170 . 1 1 102 102 SER HB3 H 1 3.860 0.030 . 1 . . . . 102 SER HB3 . 10029 1 1171 . 1 1 102 102 SER C C 13 173.922 0.300 . 1 . . . . 102 SER C . 10029 1 1172 . 1 1 102 102 SER CA C 13 58.215 0.300 . 1 . . . . 102 SER CA . 10029 1 1173 . 1 1 102 102 SER CB C 13 64.131 0.300 . 1 . . . . 102 SER CB . 10029 1 1174 . 1 1 102 102 SER N N 15 117.750 0.300 . 1 . . . . 102 SER N . 10029 1 1175 . 1 1 103 103 GLY H H 1 8.034 0.030 . 1 . . . . 103 GLY H . 10029 1 1176 . 1 1 103 103 GLY C C 13 178.972 0.300 . 1 . . . . 103 GLY C . 10029 1 1177 . 1 1 103 103 GLY CA C 13 46.216 0.300 . 1 . . . . 103 GLY CA . 10029 1 1178 . 1 1 103 103 GLY N N 15 116.761 0.300 . 1 . . . . 103 GLY N . 10029 1 stop_ save_