data_10088 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10088 _Entry.Title ; Solution structure of the second PDZ domain of human scribble (KIAA0147 protein) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-24 _Entry.Accession_date 2007-01-25 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _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 . . . 10088 2 S. Koshiba . . . 10088 3 M. Inoue . . . 10088 4 T. Kigawa . . . 10088 5 S. Yokoyama . . . 10088 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' . 10088 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10088 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 10088 '15N chemical shifts' 100 10088 '1H chemical shifts' 617 10088 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 . . 2008-08-14 2007-01-24 original author . 10088 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WHA 'BMRB Entry Tracking System' 10088 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10088 _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 second PDZ domain of human scribble (KIAA0147 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 . . . 10088 1 2 S. Koshiba . . . 10088 1 3 M. Inoue . . . 10088 1 4 T. Kigawa . . . 10088 1 5 S. Yokoyama . . . 10088 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10088 _Assembly.ID 1 _Assembly.Name 'KIAA0147 protein' _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' 10088 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 'KIAA0147 protein' 1 $entity_1 . . yes native no no . . . 10088 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WHA . . . . . . 10088 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10088 _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 ; GSSGSSGRHVACLARSERGL GFSIAGGKGSTPYRAGDAGI FVSRIAEGGAAHRAGTLQVG DRVLSINGVDVTEARHDHAV SLLTAASPTIALLLEREAGS GPSSG ; _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 105 _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 1WHA . "Solution Structure Of The Second Pdz Domain Of Human Scribble (Kiaa0147 Protein)" . . . . . 100.00 105 100.00 100.00 3.43e-64 . . . . 10088 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 10088 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 . 10088 1 2 . SER . 10088 1 3 . SER . 10088 1 4 . GLY . 10088 1 5 . SER . 10088 1 6 . SER . 10088 1 7 . GLY . 10088 1 8 . ARG . 10088 1 9 . HIS . 10088 1 10 . VAL . 10088 1 11 . ALA . 10088 1 12 . CYS . 10088 1 13 . LEU . 10088 1 14 . ALA . 10088 1 15 . ARG . 10088 1 16 . SER . 10088 1 17 . GLU . 10088 1 18 . ARG . 10088 1 19 . GLY . 10088 1 20 . LEU . 10088 1 21 . GLY . 10088 1 22 . PHE . 10088 1 23 . SER . 10088 1 24 . ILE . 10088 1 25 . ALA . 10088 1 26 . GLY . 10088 1 27 . GLY . 10088 1 28 . LYS . 10088 1 29 . GLY . 10088 1 30 . SER . 10088 1 31 . THR . 10088 1 32 . PRO . 10088 1 33 . TYR . 10088 1 34 . ARG . 10088 1 35 . ALA . 10088 1 36 . GLY . 10088 1 37 . ASP . 10088 1 38 . ALA . 10088 1 39 . GLY . 10088 1 40 . ILE . 10088 1 41 . PHE . 10088 1 42 . VAL . 10088 1 43 . SER . 10088 1 44 . ARG . 10088 1 45 . ILE . 10088 1 46 . ALA . 10088 1 47 . GLU . 10088 1 48 . GLY . 10088 1 49 . GLY . 10088 1 50 . ALA . 10088 1 51 . ALA . 10088 1 52 . HIS . 10088 1 53 . ARG . 10088 1 54 . ALA . 10088 1 55 . GLY . 10088 1 56 . THR . 10088 1 57 . LEU . 10088 1 58 . GLN . 10088 1 59 . VAL . 10088 1 60 . GLY . 10088 1 61 . ASP . 10088 1 62 . ARG . 10088 1 63 . VAL . 10088 1 64 . LEU . 10088 1 65 . SER . 10088 1 66 . ILE . 10088 1 67 . ASN . 10088 1 68 . GLY . 10088 1 69 . VAL . 10088 1 70 . ASP . 10088 1 71 . VAL . 10088 1 72 . THR . 10088 1 73 . GLU . 10088 1 74 . ALA . 10088 1 75 . ARG . 10088 1 76 . HIS . 10088 1 77 . ASP . 10088 1 78 . HIS . 10088 1 79 . ALA . 10088 1 80 . VAL . 10088 1 81 . SER . 10088 1 82 . LEU . 10088 1 83 . LEU . 10088 1 84 . THR . 10088 1 85 . ALA . 10088 1 86 . ALA . 10088 1 87 . SER . 10088 1 88 . PRO . 10088 1 89 . THR . 10088 1 90 . ILE . 10088 1 91 . ALA . 10088 1 92 . LEU . 10088 1 93 . LEU . 10088 1 94 . LEU . 10088 1 95 . GLU . 10088 1 96 . ARG . 10088 1 97 . GLU . 10088 1 98 . ALA . 10088 1 99 . GLY . 10088 1 100 . SER . 10088 1 101 . GLY . 10088 1 102 . PRO . 10088 1 103 . SER . 10088 1 104 . SER . 10088 1 105 . GLY . 10088 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 10088 1 . SER 2 2 10088 1 . SER 3 3 10088 1 . GLY 4 4 10088 1 . SER 5 5 10088 1 . SER 6 6 10088 1 . GLY 7 7 10088 1 . ARG 8 8 10088 1 . HIS 9 9 10088 1 . VAL 10 10 10088 1 . ALA 11 11 10088 1 . CYS 12 12 10088 1 . LEU 13 13 10088 1 . ALA 14 14 10088 1 . ARG 15 15 10088 1 . SER 16 16 10088 1 . GLU 17 17 10088 1 . ARG 18 18 10088 1 . GLY 19 19 10088 1 . LEU 20 20 10088 1 . GLY 21 21 10088 1 . PHE 22 22 10088 1 . SER 23 23 10088 1 . ILE 24 24 10088 1 . ALA 25 25 10088 1 . GLY 26 26 10088 1 . GLY 27 27 10088 1 . LYS 28 28 10088 1 . GLY 29 29 10088 1 . SER 30 30 10088 1 . THR 31 31 10088 1 . PRO 32 32 10088 1 . TYR 33 33 10088 1 . ARG 34 34 10088 1 . ALA 35 35 10088 1 . GLY 36 36 10088 1 . ASP 37 37 10088 1 . ALA 38 38 10088 1 . GLY 39 39 10088 1 . ILE 40 40 10088 1 . PHE 41 41 10088 1 . VAL 42 42 10088 1 . SER 43 43 10088 1 . ARG 44 44 10088 1 . ILE 45 45 10088 1 . ALA 46 46 10088 1 . GLU 47 47 10088 1 . GLY 48 48 10088 1 . GLY 49 49 10088 1 . ALA 50 50 10088 1 . ALA 51 51 10088 1 . HIS 52 52 10088 1 . ARG 53 53 10088 1 . ALA 54 54 10088 1 . GLY 55 55 10088 1 . THR 56 56 10088 1 . LEU 57 57 10088 1 . GLN 58 58 10088 1 . VAL 59 59 10088 1 . GLY 60 60 10088 1 . ASP 61 61 10088 1 . ARG 62 62 10088 1 . VAL 63 63 10088 1 . LEU 64 64 10088 1 . SER 65 65 10088 1 . ILE 66 66 10088 1 . ASN 67 67 10088 1 . GLY 68 68 10088 1 . VAL 69 69 10088 1 . ASP 70 70 10088 1 . VAL 71 71 10088 1 . THR 72 72 10088 1 . GLU 73 73 10088 1 . ALA 74 74 10088 1 . ARG 75 75 10088 1 . HIS 76 76 10088 1 . ASP 77 77 10088 1 . HIS 78 78 10088 1 . ALA 79 79 10088 1 . VAL 80 80 10088 1 . SER 81 81 10088 1 . LEU 82 82 10088 1 . LEU 83 83 10088 1 . THR 84 84 10088 1 . ALA 85 85 10088 1 . ALA 86 86 10088 1 . SER 87 87 10088 1 . PRO 88 88 10088 1 . THR 89 89 10088 1 . ILE 90 90 10088 1 . ALA 91 91 10088 1 . LEU 92 92 10088 1 . LEU 93 93 10088 1 . LEU 94 94 10088 1 . GLU 95 95 10088 1 . ARG 96 96 10088 1 . GLU 97 97 10088 1 . ALA 98 98 10088 1 . GLY 99 99 10088 1 . SER 100 100 10088 1 . GLY 101 101 10088 1 . PRO 102 102 10088 1 . SER 103 103 10088 1 . SER 104 104 10088 1 . GLY 105 105 10088 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 10088 _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 . . . . . . . . . . . . . . . . . . . . . 10088 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 10088 _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 . . P021030-56 . . . . . . 10088 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10088 _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 . . 1.1 . . mM . . . . 10088 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10088 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10088 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10088 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10088 1 6 H2O . . . . . . solvent 90 . . % . . . . 10088 1 7 D2O . . . . . . solvent 10 . . % . . . . 10088 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 10088 _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 10088 1 pH 6.0 0.05 pH 10088 1 pressure 1 0.001 atm 10088 1 temperature 298 0.1 K 10088 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10088 _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 . . 10088 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10088 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10088 _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.' . . 10088 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10088 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10088 _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.' . . 10088 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10088 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10088 _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.' . . 10088 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10088 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10088 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10088 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10088 5 'structure solution' 10088 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 10088 _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 10088 _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 . . . . . . . . . . . . . . . . 10088 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10088 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 10088 _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 10088 _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 10088 _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 . . . . . . . . . 10088 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10088 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10088 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 10088 _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 10088 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10088 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 5 5 SER HA H 1 4.572 0.030 . 1 . . . . 5 SER HA . 10088 1 2 . 1 1 5 5 SER HB2 H 1 3.908 0.030 . 2 . . . . 5 SER HB2 . 10088 1 3 . 1 1 5 5 SER C C 13 174.648 0.300 . 1 . . . . 5 SER C . 10088 1 4 . 1 1 5 5 SER CA C 13 58.382 0.300 . 1 . . . . 5 SER CA . 10088 1 5 . 1 1 5 5 SER CB C 13 64.089 0.300 . 1 . . . . 5 SER CB . 10088 1 6 . 1 1 6 6 SER H H 1 8.372 0.030 . 1 . . . . 6 SER H . 10088 1 7 . 1 1 6 6 SER HA H 1 4.658 0.030 . 1 . . . . 6 SER HA . 10088 1 8 . 1 1 6 6 SER HB2 H 1 3.910 0.030 . 2 . . . . 6 SER HB2 . 10088 1 9 . 1 1 6 6 SER C C 13 174.415 0.300 . 1 . . . . 6 SER C . 10088 1 10 . 1 1 6 6 SER CA C 13 58.447 0.300 . 1 . . . . 6 SER CA . 10088 1 11 . 1 1 6 6 SER CB C 13 64.376 0.300 . 1 . . . . 6 SER CB . 10088 1 12 . 1 1 6 6 SER N N 15 117.724 0.300 . 1 . . . . 6 SER N . 10088 1 13 . 1 1 7 7 GLY H H 1 8.565 0.030 . 1 . . . . 7 GLY H . 10088 1 14 . 1 1 7 7 GLY HA2 H 1 4.264 0.030 . 2 . . . . 7 GLY HA2 . 10088 1 15 . 1 1 7 7 GLY HA3 H 1 4.065 0.030 . 2 . . . . 7 GLY HA3 . 10088 1 16 . 1 1 7 7 GLY C C 13 173.595 0.300 . 1 . . . . 7 GLY C . 10088 1 17 . 1 1 7 7 GLY CA C 13 45.264 0.300 . 1 . . . . 7 GLY CA . 10088 1 18 . 1 1 7 7 GLY N N 15 109.895 0.300 . 1 . . . . 7 GLY N . 10088 1 19 . 1 1 8 8 ARG H H 1 8.209 0.030 . 1 . . . . 8 ARG H . 10088 1 20 . 1 1 8 8 ARG HA H 1 5.503 0.030 . 1 . . . . 8 ARG HA . 10088 1 21 . 1 1 8 8 ARG HB2 H 1 1.722 0.030 . 2 . . . . 8 ARG HB2 . 10088 1 22 . 1 1 8 8 ARG HB3 H 1 1.672 0.030 . 2 . . . . 8 ARG HB3 . 10088 1 23 . 1 1 8 8 ARG HG2 H 1 1.738 0.030 . 2 . . . . 8 ARG HG2 . 10088 1 24 . 1 1 8 8 ARG HG3 H 1 1.479 0.030 . 2 . . . . 8 ARG HG3 . 10088 1 25 . 1 1 8 8 ARG HD2 H 1 3.075 0.030 . 2 . . . . 8 ARG HD2 . 10088 1 26 . 1 1 8 8 ARG HD3 H 1 2.977 0.030 . 2 . . . . 8 ARG HD3 . 10088 1 27 . 1 1 8 8 ARG HE H 1 7.434 0.030 . 1 . . . . 8 ARG HE . 10088 1 28 . 1 1 8 8 ARG C C 13 176.398 0.300 . 1 . . . . 8 ARG C . 10088 1 29 . 1 1 8 8 ARG CA C 13 55.159 0.300 . 1 . . . . 8 ARG CA . 10088 1 30 . 1 1 8 8 ARG CB C 13 32.482 0.300 . 1 . . . . 8 ARG CB . 10088 1 31 . 1 1 8 8 ARG CG C 13 28.038 0.300 . 1 . . . . 8 ARG CG . 10088 1 32 . 1 1 8 8 ARG CD C 13 43.810 0.300 . 1 . . . . 8 ARG CD . 10088 1 33 . 1 1 8 8 ARG N N 15 121.002 0.300 . 1 . . . . 8 ARG N . 10088 1 34 . 1 1 8 8 ARG NE N 15 85.090 0.300 . 1 . . . . 8 ARG NE . 10088 1 35 . 1 1 9 9 HIS H H 1 8.943 0.030 . 1 . . . . 9 HIS H . 10088 1 36 . 1 1 9 9 HIS HA H 1 4.839 0.030 . 1 . . . . 9 HIS HA . 10088 1 37 . 1 1 9 9 HIS HB2 H 1 3.246 0.030 . 2 . . . . 9 HIS HB2 . 10088 1 38 . 1 1 9 9 HIS HB3 H 1 2.879 0.030 . 2 . . . . 9 HIS HB3 . 10088 1 39 . 1 1 9 9 HIS HD2 H 1 6.819 0.030 . 1 . . . . 9 HIS HD2 . 10088 1 40 . 1 1 9 9 HIS C C 13 172.270 0.300 . 1 . . . . 9 HIS C . 10088 1 41 . 1 1 9 9 HIS CA C 13 55.115 0.300 . 1 . . . . 9 HIS CA . 10088 1 42 . 1 1 9 9 HIS CB C 13 32.777 0.300 . 1 . . . . 9 HIS CB . 10088 1 43 . 1 1 9 9 HIS CD2 C 13 119.623 0.300 . 1 . . . . 9 HIS CD2 . 10088 1 44 . 1 1 9 9 HIS N N 15 119.181 0.300 . 1 . . . . 9 HIS N . 10088 1 45 . 1 1 10 10 VAL H H 1 8.583 0.030 . 1 . . . . 10 VAL H . 10088 1 46 . 1 1 10 10 VAL HA H 1 4.999 0.030 . 1 . . . . 10 VAL HA . 10088 1 47 . 1 1 10 10 VAL HB H 1 1.936 0.030 . 1 . . . . 10 VAL HB . 10088 1 48 . 1 1 10 10 VAL HG11 H 1 0.910 0.030 . 1 . . . . 10 VAL HG1 . 10088 1 49 . 1 1 10 10 VAL HG12 H 1 0.910 0.030 . 1 . . . . 10 VAL HG1 . 10088 1 50 . 1 1 10 10 VAL HG13 H 1 0.910 0.030 . 1 . . . . 10 VAL HG1 . 10088 1 51 . 1 1 10 10 VAL HG21 H 1 0.826 0.030 . 1 . . . . 10 VAL HG2 . 10088 1 52 . 1 1 10 10 VAL HG22 H 1 0.826 0.030 . 1 . . . . 10 VAL HG2 . 10088 1 53 . 1 1 10 10 VAL HG23 H 1 0.826 0.030 . 1 . . . . 10 VAL HG2 . 10088 1 54 . 1 1 10 10 VAL C C 13 175.973 0.300 . 1 . . . . 10 VAL C . 10088 1 55 . 1 1 10 10 VAL CA C 13 60.811 0.300 . 1 . . . . 10 VAL CA . 10088 1 56 . 1 1 10 10 VAL CB C 13 33.752 0.300 . 1 . . . . 10 VAL CB . 10088 1 57 . 1 1 10 10 VAL CG1 C 13 21.590 0.300 . 2 . . . . 10 VAL CG1 . 10088 1 58 . 1 1 10 10 VAL CG2 C 13 21.307 0.300 . 2 . . . . 10 VAL CG2 . 10088 1 59 . 1 1 10 10 VAL N N 15 120.820 0.300 . 1 . . . . 10 VAL N . 10088 1 60 . 1 1 11 11 ALA H H 1 8.902 0.030 . 1 . . . . 11 ALA H . 10088 1 61 . 1 1 11 11 ALA HA H 1 4.735 0.030 . 1 . . . . 11 ALA HA . 10088 1 62 . 1 1 11 11 ALA HB1 H 1 1.166 0.030 . 1 . . . . 11 ALA HB . 10088 1 63 . 1 1 11 11 ALA HB2 H 1 1.166 0.030 . 1 . . . . 11 ALA HB . 10088 1 64 . 1 1 11 11 ALA HB3 H 1 1.166 0.030 . 1 . . . . 11 ALA HB . 10088 1 65 . 1 1 11 11 ALA C C 13 175.356 0.300 . 1 . . . . 11 ALA C . 10088 1 66 . 1 1 11 11 ALA CA C 13 50.696 0.300 . 1 . . . . 11 ALA CA . 10088 1 67 . 1 1 11 11 ALA CB C 13 22.285 0.300 . 1 . . . . 11 ALA CB . 10088 1 68 . 1 1 11 11 ALA N N 15 129.460 0.300 . 1 . . . . 11 ALA N . 10088 1 69 . 1 1 12 12 CYS H H 1 8.606 0.030 . 1 . . . . 12 CYS H . 10088 1 70 . 1 1 12 12 CYS HA H 1 5.325 0.030 . 1 . . . . 12 CYS HA . 10088 1 71 . 1 1 12 12 CYS HB2 H 1 2.779 0.030 . 1 . . . . 12 CYS HB2 . 10088 1 72 . 1 1 12 12 CYS HB3 H 1 2.779 0.030 . 1 . . . . 12 CYS HB3 . 10088 1 73 . 1 1 12 12 CYS C C 13 174.000 0.300 . 1 . . . . 12 CYS C . 10088 1 74 . 1 1 12 12 CYS CA C 13 57.640 0.300 . 1 . . . . 12 CYS CA . 10088 1 75 . 1 1 12 12 CYS CB C 13 28.139 0.300 . 1 . . . . 12 CYS CB . 10088 1 76 . 1 1 12 12 CYS N N 15 122.276 0.300 . 1 . . . . 12 CYS N . 10088 1 77 . 1 1 13 13 LEU H H 1 8.996 0.030 . 1 . . . . 13 LEU H . 10088 1 78 . 1 1 13 13 LEU HA H 1 4.761 0.030 . 1 . . . . 13 LEU HA . 10088 1 79 . 1 1 13 13 LEU HB2 H 1 1.666 0.030 . 2 . . . . 13 LEU HB2 . 10088 1 80 . 1 1 13 13 LEU HB3 H 1 1.490 0.030 . 2 . . . . 13 LEU HB3 . 10088 1 81 . 1 1 13 13 LEU HG H 1 1.505 0.030 . 1 . . . . 13 LEU HG . 10088 1 82 . 1 1 13 13 LEU HD11 H 1 0.855 0.030 . 1 . . . . 13 LEU HD1 . 10088 1 83 . 1 1 13 13 LEU HD12 H 1 0.855 0.030 . 1 . . . . 13 LEU HD1 . 10088 1 84 . 1 1 13 13 LEU HD13 H 1 0.855 0.030 . 1 . . . . 13 LEU HD1 . 10088 1 85 . 1 1 13 13 LEU HD21 H 1 0.792 0.030 . 1 . . . . 13 LEU HD2 . 10088 1 86 . 1 1 13 13 LEU HD22 H 1 0.792 0.030 . 1 . . . . 13 LEU HD2 . 10088 1 87 . 1 1 13 13 LEU HD23 H 1 0.792 0.030 . 1 . . . . 13 LEU HD2 . 10088 1 88 . 1 1 13 13 LEU C C 13 174.880 0.300 . 1 . . . . 13 LEU C . 10088 1 89 . 1 1 13 13 LEU CA C 13 53.398 0.300 . 1 . . . . 13 LEU CA . 10088 1 90 . 1 1 13 13 LEU CB C 13 45.130 0.300 . 1 . . . . 13 LEU CB . 10088 1 91 . 1 1 13 13 LEU CG C 13 27.319 0.300 . 1 . . . . 13 LEU CG . 10088 1 92 . 1 1 13 13 LEU CD1 C 13 26.680 0.300 . 2 . . . . 13 LEU CD1 . 10088 1 93 . 1 1 13 13 LEU CD2 C 13 24.499 0.300 . 2 . . . . 13 LEU CD2 . 10088 1 94 . 1 1 13 13 LEU N N 15 126.976 0.300 . 1 . . . . 13 LEU N . 10088 1 95 . 1 1 14 14 ALA H H 1 8.503 0.030 . 1 . . . . 14 ALA H . 10088 1 96 . 1 1 14 14 ALA HA H 1 4.735 0.030 . 1 . . . . 14 ALA HA . 10088 1 97 . 1 1 14 14 ALA HB1 H 1 1.407 0.030 . 1 . . . . 14 ALA HB . 10088 1 98 . 1 1 14 14 ALA HB2 H 1 1.407 0.030 . 1 . . . . 14 ALA HB . 10088 1 99 . 1 1 14 14 ALA HB3 H 1 1.407 0.030 . 1 . . . . 14 ALA HB . 10088 1 100 . 1 1 14 14 ALA C C 13 176.965 0.300 . 1 . . . . 14 ALA C . 10088 1 101 . 1 1 14 14 ALA CA C 13 51.034 0.300 . 1 . . . . 14 ALA CA . 10088 1 102 . 1 1 14 14 ALA CB C 13 19.718 0.300 . 1 . . . . 14 ALA CB . 10088 1 103 . 1 1 14 14 ALA N N 15 124.826 0.300 . 1 . . . . 14 ALA N . 10088 1 104 . 1 1 15 15 ARG H H 1 8.084 0.030 . 1 . . . . 15 ARG H . 10088 1 105 . 1 1 15 15 ARG HA H 1 4.077 0.030 . 1 . . . . 15 ARG HA . 10088 1 106 . 1 1 15 15 ARG HB2 H 1 1.827 0.030 . 2 . . . . 15 ARG HB2 . 10088 1 107 . 1 1 15 15 ARG HB3 H 1 1.742 0.030 . 2 . . . . 15 ARG HB3 . 10088 1 108 . 1 1 15 15 ARG HG2 H 1 1.596 0.030 . 1 . . . . 15 ARG HG2 . 10088 1 109 . 1 1 15 15 ARG HG3 H 1 1.596 0.030 . 1 . . . . 15 ARG HG3 . 10088 1 110 . 1 1 15 15 ARG HD2 H 1 3.236 0.030 . 1 . . . . 15 ARG HD2 . 10088 1 111 . 1 1 15 15 ARG HD3 H 1 3.236 0.030 . 1 . . . . 15 ARG HD3 . 10088 1 112 . 1 1 15 15 ARG HE H 1 7.227 0.030 . 1 . . . . 15 ARG HE . 10088 1 113 . 1 1 15 15 ARG C C 13 175.882 0.300 . 1 . . . . 15 ARG C . 10088 1 114 . 1 1 15 15 ARG CA C 13 57.009 0.300 . 1 . . . . 15 ARG CA . 10088 1 115 . 1 1 15 15 ARG CB C 13 30.606 0.300 . 1 . . . . 15 ARG CB . 10088 1 116 . 1 1 15 15 ARG CG C 13 27.494 0.300 . 1 . . . . 15 ARG CG . 10088 1 117 . 1 1 15 15 ARG CD C 13 43.299 0.300 . 1 . . . . 15 ARG CD . 10088 1 118 . 1 1 15 15 ARG N N 15 122.032 0.300 . 1 . . . . 15 ARG N . 10088 1 119 . 1 1 15 15 ARG NE N 15 107.687 0.300 . 1 . . . . 15 ARG NE . 10088 1 120 . 1 1 16 16 SER H H 1 8.139 0.030 . 1 . . . . 16 SER H . 10088 1 121 . 1 1 16 16 SER HA H 1 4.811 0.030 . 1 . . . . 16 SER HA . 10088 1 122 . 1 1 16 16 SER HB2 H 1 4.140 0.030 . 2 . . . . 16 SER HB2 . 10088 1 123 . 1 1 16 16 SER HB3 H 1 3.904 0.030 . 2 . . . . 16 SER HB3 . 10088 1 124 . 1 1 16 16 SER C C 13 175.680 0.300 . 1 . . . . 16 SER C . 10088 1 125 . 1 1 16 16 SER CA C 13 57.104 0.300 . 1 . . . . 16 SER CA . 10088 1 126 . 1 1 16 16 SER CB C 13 65.535 0.300 . 1 . . . . 16 SER CB . 10088 1 127 . 1 1 16 16 SER N N 15 119.363 0.300 . 1 . . . . 16 SER N . 10088 1 128 . 1 1 17 17 GLU H H 1 9.318 0.030 . 1 . . . . 17 GLU H . 10088 1 129 . 1 1 17 17 GLU HA H 1 4.238 0.030 . 1 . . . . 17 GLU HA . 10088 1 130 . 1 1 17 17 GLU HB2 H 1 2.165 0.030 . 2 . . . . 17 GLU HB2 . 10088 1 131 . 1 1 17 17 GLU HB3 H 1 2.116 0.030 . 2 . . . . 17 GLU HB3 . 10088 1 132 . 1 1 17 17 GLU HG2 H 1 2.400 0.030 . 2 . . . . 17 GLU HG2 . 10088 1 133 . 1 1 17 17 GLU HG3 H 1 2.344 0.030 . 2 . . . . 17 GLU HG3 . 10088 1 134 . 1 1 17 17 GLU C C 13 177.258 0.300 . 1 . . . . 17 GLU C . 10088 1 135 . 1 1 17 17 GLU CA C 13 58.899 0.300 . 1 . . . . 17 GLU CA . 10088 1 136 . 1 1 17 17 GLU CB C 13 29.193 0.300 . 1 . . . . 17 GLU CB . 10088 1 137 . 1 1 17 17 GLU CG C 13 36.183 0.300 . 1 . . . . 17 GLU CG . 10088 1 138 . 1 1 17 17 GLU N N 15 123.967 0.300 . 1 . . . . 17 GLU N . 10088 1 139 . 1 1 18 18 ARG H H 1 8.182 0.030 . 1 . . . . 18 ARG H . 10088 1 140 . 1 1 18 18 ARG HA H 1 4.390 0.030 . 1 . . . . 18 ARG HA . 10088 1 141 . 1 1 18 18 ARG HB2 H 1 2.072 0.030 . 2 . . . . 18 ARG HB2 . 10088 1 142 . 1 1 18 18 ARG HB3 H 1 1.738 0.030 . 2 . . . . 18 ARG HB3 . 10088 1 143 . 1 1 18 18 ARG HG2 H 1 1.718 0.030 . 2 . . . . 18 ARG HG2 . 10088 1 144 . 1 1 18 18 ARG HG3 H 1 1.652 0.030 . 2 . . . . 18 ARG HG3 . 10088 1 145 . 1 1 18 18 ARG HD2 H 1 3.238 0.030 . 1 . . . . 18 ARG HD2 . 10088 1 146 . 1 1 18 18 ARG HD3 H 1 3.238 0.030 . 1 . . . . 18 ARG HD3 . 10088 1 147 . 1 1 18 18 ARG C C 13 176.641 0.300 . 1 . . . . 18 ARG C . 10088 1 148 . 1 1 18 18 ARG CA C 13 56.099 0.300 . 1 . . . . 18 ARG CA . 10088 1 149 . 1 1 18 18 ARG CB C 13 30.356 0.300 . 1 . . . . 18 ARG CB . 10088 1 150 . 1 1 18 18 ARG CG C 13 27.470 0.300 . 1 . . . . 18 ARG CG . 10088 1 151 . 1 1 18 18 ARG CD C 13 43.231 0.300 . 1 . . . . 18 ARG CD . 10088 1 152 . 1 1 18 18 ARG N N 15 117.057 0.300 . 1 . . . . 18 ARG N . 10088 1 153 . 1 1 19 19 GLY H H 1 7.699 0.030 . 1 . . . . 19 GLY H . 10088 1 154 . 1 1 19 19 GLY HA2 H 1 4.448 0.030 . 2 . . . . 19 GLY HA2 . 10088 1 155 . 1 1 19 19 GLY HA3 H 1 3.907 0.030 . 2 . . . . 19 GLY HA3 . 10088 1 156 . 1 1 19 19 GLY C C 13 174.729 0.300 . 1 . . . . 19 GLY C . 10088 1 157 . 1 1 19 19 GLY CA C 13 44.456 0.300 . 1 . . . . 19 GLY CA . 10088 1 158 . 1 1 19 19 GLY N N 15 107.346 0.300 . 1 . . . . 19 GLY N . 10088 1 159 . 1 1 20 20 LEU H H 1 8.844 0.030 . 1 . . . . 20 LEU H . 10088 1 160 . 1 1 20 20 LEU HA H 1 4.315 0.030 . 1 . . . . 20 LEU HA . 10088 1 161 . 1 1 20 20 LEU HB2 H 1 1.673 0.030 . 1 . . . . 20 LEU HB2 . 10088 1 162 . 1 1 20 20 LEU HB3 H 1 1.673 0.030 . 1 . . . . 20 LEU HB3 . 10088 1 163 . 1 1 20 20 LEU HG H 1 1.772 0.030 . 1 . . . . 20 LEU HG . 10088 1 164 . 1 1 20 20 LEU HD11 H 1 0.967 0.030 . 1 . . . . 20 LEU HD1 . 10088 1 165 . 1 1 20 20 LEU HD12 H 1 0.967 0.030 . 1 . . . . 20 LEU HD1 . 10088 1 166 . 1 1 20 20 LEU HD13 H 1 0.967 0.030 . 1 . . . . 20 LEU HD1 . 10088 1 167 . 1 1 20 20 LEU HD21 H 1 0.840 0.030 . 1 . . . . 20 LEU HD2 . 10088 1 168 . 1 1 20 20 LEU HD22 H 1 0.840 0.030 . 1 . . . . 20 LEU HD2 . 10088 1 169 . 1 1 20 20 LEU HD23 H 1 0.840 0.030 . 1 . . . . 20 LEU HD2 . 10088 1 170 . 1 1 20 20 LEU C C 13 178.452 0.300 . 1 . . . . 20 LEU C . 10088 1 171 . 1 1 20 20 LEU CA C 13 56.539 0.300 . 1 . . . . 20 LEU CA . 10088 1 172 . 1 1 20 20 LEU CB C 13 43.339 0.300 . 1 . . . . 20 LEU CB . 10088 1 173 . 1 1 20 20 LEU CG C 13 27.085 0.300 . 1 . . . . 20 LEU CG . 10088 1 174 . 1 1 20 20 LEU CD1 C 13 26.632 0.300 . 2 . . . . 20 LEU CD1 . 10088 1 175 . 1 1 20 20 LEU CD2 C 13 23.135 0.300 . 2 . . . . 20 LEU CD2 . 10088 1 176 . 1 1 20 20 LEU N N 15 120.771 0.300 . 1 . . . . 20 LEU N . 10088 1 177 . 1 1 21 21 GLY H H 1 8.695 0.030 . 1 . . . . 21 GLY H . 10088 1 178 . 1 1 21 21 GLY HA2 H 1 4.253 0.030 . 2 . . . . 21 GLY HA2 . 10088 1 179 . 1 1 21 21 GLY HA3 H 1 3.987 0.030 . 2 . . . . 21 GLY HA3 . 10088 1 180 . 1 1 21 21 GLY C C 13 175.497 0.300 . 1 . . . . 21 GLY C . 10088 1 181 . 1 1 21 21 GLY CA C 13 46.601 0.300 . 1 . . . . 21 GLY CA . 10088 1 182 . 1 1 21 21 GLY N N 15 104.164 0.300 . 1 . . . . 21 GLY N . 10088 1 183 . 1 1 22 22 PHE H H 1 7.428 0.030 . 1 . . . . 22 PHE H . 10088 1 184 . 1 1 22 22 PHE HA H 1 5.356 0.030 . 1 . . . . 22 PHE HA . 10088 1 185 . 1 1 22 22 PHE HB2 H 1 3.411 0.030 . 2 . . . . 22 PHE HB2 . 10088 1 186 . 1 1 22 22 PHE HB3 H 1 2.963 0.030 . 2 . . . . 22 PHE HB3 . 10088 1 187 . 1 1 22 22 PHE HD1 H 1 6.973 0.030 . 1 . . . . 22 PHE HD1 . 10088 1 188 . 1 1 22 22 PHE HD2 H 1 6.973 0.030 . 1 . . . . 22 PHE HD2 . 10088 1 189 . 1 1 22 22 PHE HE1 H 1 6.942 0.030 . 1 . . . . 22 PHE HE1 . 10088 1 190 . 1 1 22 22 PHE HE2 H 1 6.942 0.030 . 1 . . . . 22 PHE HE2 . 10088 1 191 . 1 1 22 22 PHE HZ H 1 6.978 0.030 . 1 . . . . 22 PHE HZ . 10088 1 192 . 1 1 22 22 PHE C C 13 172.522 0.300 . 1 . . . . 22 PHE C . 10088 1 193 . 1 1 22 22 PHE CA C 13 56.291 0.300 . 1 . . . . 22 PHE CA . 10088 1 194 . 1 1 22 22 PHE CB C 13 40.880 0.300 . 1 . . . . 22 PHE CB . 10088 1 195 . 1 1 22 22 PHE CD1 C 13 132.478 0.300 . 1 . . . . 22 PHE CD1 . 10088 1 196 . 1 1 22 22 PHE CD2 C 13 132.478 0.300 . 1 . . . . 22 PHE CD2 . 10088 1 197 . 1 1 22 22 PHE CE1 C 13 130.278 0.300 . 1 . . . . 22 PHE CE1 . 10088 1 198 . 1 1 22 22 PHE CE2 C 13 130.278 0.300 . 1 . . . . 22 PHE CE2 . 10088 1 199 . 1 1 22 22 PHE CZ C 13 129.065 0.300 . 1 . . . . 22 PHE CZ . 10088 1 200 . 1 1 22 22 PHE N N 15 115.506 0.300 . 1 . . . . 22 PHE N . 10088 1 201 . 1 1 23 23 SER H H 1 8.661 0.030 . 1 . . . . 23 SER H . 10088 1 202 . 1 1 23 23 SER HA H 1 4.859 0.030 . 1 . . . . 23 SER HA . 10088 1 203 . 1 1 23 23 SER HB2 H 1 3.946 0.030 . 2 . . . . 23 SER HB2 . 10088 1 204 . 1 1 23 23 SER HB3 H 1 3.566 0.030 . 2 . . . . 23 SER HB3 . 10088 1 205 . 1 1 23 23 SER C C 13 173.180 0.300 . 1 . . . . 23 SER C . 10088 1 206 . 1 1 23 23 SER CA C 13 56.598 0.300 . 1 . . . . 23 SER CA . 10088 1 207 . 1 1 23 23 SER CB C 13 65.813 0.300 . 1 . . . . 23 SER CB . 10088 1 208 . 1 1 23 23 SER N N 15 115.633 0.300 . 1 . . . . 23 SER N . 10088 1 209 . 1 1 24 24 ILE H H 1 8.498 0.030 . 1 . . . . 24 ILE H . 10088 1 210 . 1 1 24 24 ILE HA H 1 5.606 0.030 . 1 . . . . 24 ILE HA . 10088 1 211 . 1 1 24 24 ILE HB H 1 1.738 0.030 . 1 . . . . 24 ILE HB . 10088 1 212 . 1 1 24 24 ILE HG12 H 1 1.308 0.030 . 2 . . . . 24 ILE HG12 . 10088 1 213 . 1 1 24 24 ILE HG13 H 1 0.863 0.030 . 2 . . . . 24 ILE HG13 . 10088 1 214 . 1 1 24 24 ILE HG21 H 1 0.817 0.030 . 1 . . . . 24 ILE HG2 . 10088 1 215 . 1 1 24 24 ILE HG22 H 1 0.817 0.030 . 1 . . . . 24 ILE HG2 . 10088 1 216 . 1 1 24 24 ILE HG23 H 1 0.817 0.030 . 1 . . . . 24 ILE HG2 . 10088 1 217 . 1 1 24 24 ILE HD11 H 1 0.438 0.030 . 1 . . . . 24 ILE HD1 . 10088 1 218 . 1 1 24 24 ILE HD12 H 1 0.438 0.030 . 1 . . . . 24 ILE HD1 . 10088 1 219 . 1 1 24 24 ILE HD13 H 1 0.438 0.030 . 1 . . . . 24 ILE HD1 . 10088 1 220 . 1 1 24 24 ILE C C 13 175.245 0.300 . 1 . . . . 24 ILE C . 10088 1 221 . 1 1 24 24 ILE CA C 13 58.518 0.300 . 1 . . . . 24 ILE CA . 10088 1 222 . 1 1 24 24 ILE CB C 13 42.376 0.300 . 1 . . . . 24 ILE CB . 10088 1 223 . 1 1 24 24 ILE CG1 C 13 24.957 0.300 . 1 . . . . 24 ILE CG1 . 10088 1 224 . 1 1 24 24 ILE CG2 C 13 18.822 0.300 . 1 . . . . 24 ILE CG2 . 10088 1 225 . 1 1 24 24 ILE CD1 C 13 14.441 0.300 . 1 . . . . 24 ILE CD1 . 10088 1 226 . 1 1 24 24 ILE N N 15 114.036 0.300 . 1 . . . . 24 ILE N . 10088 1 227 . 1 1 25 25 ALA H H 1 9.244 0.030 . 1 . . . . 25 ALA H . 10088 1 228 . 1 1 25 25 ALA HA H 1 4.924 0.030 . 1 . . . . 25 ALA HA . 10088 1 229 . 1 1 25 25 ALA HB1 H 1 1.579 0.030 . 1 . . . . 25 ALA HB . 10088 1 230 . 1 1 25 25 ALA HB2 H 1 1.579 0.030 . 1 . . . . 25 ALA HB . 10088 1 231 . 1 1 25 25 ALA HB3 H 1 1.579 0.030 . 1 . . . . 25 ALA HB . 10088 1 232 . 1 1 25 25 ALA C C 13 175.963 0.300 . 1 . . . . 25 ALA C . 10088 1 233 . 1 1 25 25 ALA CA C 13 50.784 0.300 . 1 . . . . 25 ALA CA . 10088 1 234 . 1 1 25 25 ALA CB C 13 24.189 0.300 . 1 . . . . 25 ALA CB . 10088 1 235 . 1 1 25 25 ALA N N 15 122.969 0.300 . 1 . . . . 25 ALA N . 10088 1 236 . 1 1 26 26 GLY H H 1 8.938 0.030 . 1 . . . . 26 GLY H . 10088 1 237 . 1 1 26 26 GLY HA2 H 1 5.450 0.030 . 2 . . . . 26 GLY HA2 . 10088 1 238 . 1 1 26 26 GLY HA3 H 1 4.025 0.030 . 2 . . . . 26 GLY HA3 . 10088 1 239 . 1 1 26 26 GLY C C 13 174.951 0.300 . 1 . . . . 26 GLY C . 10088 1 240 . 1 1 26 26 GLY CA C 13 44.074 0.300 . 1 . . . . 26 GLY CA . 10088 1 241 . 1 1 26 26 GLY N N 15 107.314 0.300 . 1 . . . . 26 GLY N . 10088 1 242 . 1 1 27 27 GLY H H 1 6.995 0.030 . 1 . . . . 27 GLY H . 10088 1 243 . 1 1 27 27 GLY HA2 H 1 4.339 0.030 . 2 . . . . 27 GLY HA2 . 10088 1 244 . 1 1 27 27 GLY HA3 H 1 4.063 0.030 . 2 . . . . 27 GLY HA3 . 10088 1 245 . 1 1 27 27 GLY C C 13 174.648 0.300 . 1 . . . . 27 GLY C . 10088 1 246 . 1 1 27 27 GLY CA C 13 44.047 0.300 . 1 . . . . 27 GLY CA . 10088 1 247 . 1 1 27 27 GLY N N 15 106.743 0.300 . 1 . . . . 27 GLY N . 10088 1 248 . 1 1 28 28 LYS H H 1 8.221 0.030 . 1 . . . . 28 LYS H . 10088 1 249 . 1 1 28 28 LYS HA H 1 4.286 0.030 . 1 . . . . 28 LYS HA . 10088 1 250 . 1 1 28 28 LYS HB2 H 1 1.811 0.030 . 2 . . . . 28 LYS HB2 . 10088 1 251 . 1 1 28 28 LYS HB3 H 1 1.622 0.030 . 2 . . . . 28 LYS HB3 . 10088 1 252 . 1 1 28 28 LYS HG2 H 1 1.511 0.030 . 2 . . . . 28 LYS HG2 . 10088 1 253 . 1 1 28 28 LYS HG3 H 1 1.442 0.030 . 2 . . . . 28 LYS HG3 . 10088 1 254 . 1 1 28 28 LYS HD2 H 1 1.715 0.030 . 2 . . . . 28 LYS HD2 . 10088 1 255 . 1 1 28 28 LYS HD3 H 1 1.670 0.030 . 2 . . . . 28 LYS HD3 . 10088 1 256 . 1 1 28 28 LYS HE2 H 1 3.030 0.030 . 1 . . . . 28 LYS HE2 . 10088 1 257 . 1 1 28 28 LYS HE3 H 1 3.030 0.030 . 1 . . . . 28 LYS HE3 . 10088 1 258 . 1 1 28 28 LYS C C 13 178.999 0.300 . 1 . . . . 28 LYS C . 10088 1 259 . 1 1 28 28 LYS CA C 13 58.283 0.300 . 1 . . . . 28 LYS CA . 10088 1 260 . 1 1 28 28 LYS CB C 13 32.660 0.300 . 1 . . . . 28 LYS CB . 10088 1 261 . 1 1 28 28 LYS CG C 13 25.168 0.300 . 1 . . . . 28 LYS CG . 10088 1 262 . 1 1 28 28 LYS CD C 13 29.426 0.300 . 1 . . . . 28 LYS CD . 10088 1 263 . 1 1 28 28 LYS CE C 13 42.189 0.300 . 1 . . . . 28 LYS CE . 10088 1 264 . 1 1 28 28 LYS N N 15 120.092 0.300 . 1 . . . . 28 LYS N . 10088 1 265 . 1 1 29 29 GLY H H 1 9.354 0.030 . 1 . . . . 29 GLY H . 10088 1 266 . 1 1 29 29 GLY HA2 H 1 4.193 0.030 . 2 . . . . 29 GLY HA2 . 10088 1 267 . 1 1 29 29 GLY HA3 H 1 3.891 0.030 . 2 . . . . 29 GLY HA3 . 10088 1 268 . 1 1 29 29 GLY C C 13 173.565 0.300 . 1 . . . . 29 GLY C . 10088 1 269 . 1 1 29 29 GLY CA C 13 45.793 0.300 . 1 . . . . 29 GLY CA . 10088 1 270 . 1 1 29 29 GLY N N 15 113.234 0.300 . 1 . . . . 29 GLY N . 10088 1 271 . 1 1 30 30 SER H H 1 7.556 0.030 . 1 . . . . 30 SER H . 10088 1 272 . 1 1 30 30 SER HA H 1 4.739 0.030 . 1 . . . . 30 SER HA . 10088 1 273 . 1 1 30 30 SER HB2 H 1 3.416 0.030 . 2 . . . . 30 SER HB2 . 10088 1 274 . 1 1 30 30 SER HB3 H 1 3.382 0.030 . 2 . . . . 30 SER HB3 . 10088 1 275 . 1 1 30 30 SER C C 13 173.970 0.300 . 1 . . . . 30 SER C . 10088 1 276 . 1 1 30 30 SER CA C 13 56.289 0.300 . 1 . . . . 30 SER CA . 10088 1 277 . 1 1 30 30 SER CB C 13 65.086 0.300 . 1 . . . . 30 SER CB . 10088 1 278 . 1 1 30 30 SER N N 15 113.234 0.300 . 1 . . . . 30 SER N . 10088 1 279 . 1 1 31 31 THR H H 1 8.188 0.030 . 1 . . . . 31 THR H . 10088 1 280 . 1 1 31 31 THR HA H 1 4.424 0.030 . 1 . . . . 31 THR HA . 10088 1 281 . 1 1 31 31 THR HB H 1 4.031 0.030 . 1 . . . . 31 THR HB . 10088 1 282 . 1 1 31 31 THR HG21 H 1 1.345 0.030 . 1 . . . . 31 THR HG2 . 10088 1 283 . 1 1 31 31 THR HG22 H 1 1.345 0.030 . 1 . . . . 31 THR HG2 . 10088 1 284 . 1 1 31 31 THR HG23 H 1 1.345 0.030 . 1 . . . . 31 THR HG2 . 10088 1 285 . 1 1 31 31 THR C C 13 172.846 0.300 . 1 . . . . 31 THR C . 10088 1 286 . 1 1 31 31 THR CA C 13 61.385 0.300 . 1 . . . . 31 THR CA . 10088 1 287 . 1 1 31 31 THR CB C 13 69.742 0.300 . 1 . . . . 31 THR CB . 10088 1 288 . 1 1 31 31 THR CG2 C 13 21.579 0.300 . 1 . . . . 31 THR CG2 . 10088 1 289 . 1 1 31 31 THR N N 15 120.953 0.300 . 1 . . . . 31 THR N . 10088 1 290 . 1 1 32 32 PRO HA H 1 4.822 0.030 . 1 . . . . 32 PRO HA . 10088 1 291 . 1 1 32 32 PRO HB2 H 1 2.567 0.030 . 2 . . . . 32 PRO HB2 . 10088 1 292 . 1 1 32 32 PRO HB3 H 1 1.941 0.030 . 2 . . . . 32 PRO HB3 . 10088 1 293 . 1 1 32 32 PRO HG2 H 1 2.100 0.030 . 2 . . . . 32 PRO HG2 . 10088 1 294 . 1 1 32 32 PRO HG3 H 1 2.017 0.030 . 2 . . . . 32 PRO HG3 . 10088 1 295 . 1 1 32 32 PRO HD2 H 1 4.016 0.030 . 2 . . . . 32 PRO HD2 . 10088 1 296 . 1 1 32 32 PRO HD3 H 1 3.747 0.030 . 2 . . . . 32 PRO HD3 . 10088 1 297 . 1 1 32 32 PRO C C 13 177.967 0.300 . 1 . . . . 32 PRO C . 10088 1 298 . 1 1 32 32 PRO CA C 13 63.258 0.300 . 1 . . . . 32 PRO CA . 10088 1 299 . 1 1 32 32 PRO CB C 13 32.634 0.300 . 1 . . . . 32 PRO CB . 10088 1 300 . 1 1 32 32 PRO CG C 13 27.401 0.300 . 1 . . . . 32 PRO CG . 10088 1 301 . 1 1 32 32 PRO CD C 13 51.368 0.300 . 1 . . . . 32 PRO CD . 10088 1 302 . 1 1 33 33 TYR H H 1 10.195 0.030 . 1 . . . . 33 TYR H . 10088 1 303 . 1 1 33 33 TYR HA H 1 4.207 0.030 . 1 . . . . 33 TYR HA . 10088 1 304 . 1 1 33 33 TYR HB2 H 1 2.932 0.030 . 2 . . . . 33 TYR HB2 . 10088 1 305 . 1 1 33 33 TYR HB3 H 1 2.617 0.030 . 2 . . . . 33 TYR HB3 . 10088 1 306 . 1 1 33 33 TYR HD1 H 1 6.262 0.030 . 1 . . . . 33 TYR HD1 . 10088 1 307 . 1 1 33 33 TYR HD2 H 1 6.262 0.030 . 1 . . . . 33 TYR HD2 . 10088 1 308 . 1 1 33 33 TYR HE1 H 1 6.530 0.030 . 1 . . . . 33 TYR HE1 . 10088 1 309 . 1 1 33 33 TYR HE2 H 1 6.530 0.030 . 1 . . . . 33 TYR HE2 . 10088 1 310 . 1 1 33 33 TYR C C 13 175.457 0.300 . 1 . . . . 33 TYR C . 10088 1 311 . 1 1 33 33 TYR CA C 13 59.754 0.300 . 1 . . . . 33 TYR CA . 10088 1 312 . 1 1 33 33 TYR CB C 13 40.055 0.300 . 1 . . . . 33 TYR CB . 10088 1 313 . 1 1 33 33 TYR CD1 C 13 133.062 0.300 . 1 . . . . 33 TYR CD1 . 10088 1 314 . 1 1 33 33 TYR CD2 C 13 133.062 0.300 . 1 . . . . 33 TYR CD2 . 10088 1 315 . 1 1 33 33 TYR CE1 C 13 117.039 0.300 . 1 . . . . 33 TYR CE1 . 10088 1 316 . 1 1 33 33 TYR CE2 C 13 117.039 0.300 . 1 . . . . 33 TYR CE2 . 10088 1 317 . 1 1 33 33 TYR N N 15 125.167 0.300 . 1 . . . . 33 TYR N . 10088 1 318 . 1 1 34 34 ARG H H 1 7.044 0.030 . 1 . . . . 34 ARG H . 10088 1 319 . 1 1 34 34 ARG HA H 1 4.219 0.030 . 1 . . . . 34 ARG HA . 10088 1 320 . 1 1 34 34 ARG HB2 H 1 1.537 0.030 . 2 . . . . 34 ARG HB2 . 10088 1 321 . 1 1 34 34 ARG HB3 H 1 1.420 0.030 . 2 . . . . 34 ARG HB3 . 10088 1 322 . 1 1 34 34 ARG HG2 H 1 1.255 0.030 . 1 . . . . 34 ARG HG2 . 10088 1 323 . 1 1 34 34 ARG HG3 H 1 1.255 0.030 . 1 . . . . 34 ARG HG3 . 10088 1 324 . 1 1 34 34 ARG HD2 H 1 2.999 0.030 . 1 . . . . 34 ARG HD2 . 10088 1 325 . 1 1 34 34 ARG HD3 H 1 2.999 0.030 . 1 . . . . 34 ARG HD3 . 10088 1 326 . 1 1 34 34 ARG HE H 1 7.099 0.030 . 1 . . . . 34 ARG HE . 10088 1 327 . 1 1 34 34 ARG C C 13 174.202 0.300 . 1 . . . . 34 ARG C . 10088 1 328 . 1 1 34 34 ARG CA C 13 53.417 0.300 . 1 . . . . 34 ARG CA . 10088 1 329 . 1 1 34 34 ARG CB C 13 33.229 0.300 . 1 . . . . 34 ARG CB . 10088 1 330 . 1 1 34 34 ARG CG C 13 26.333 0.300 . 1 . . . . 34 ARG CG . 10088 1 331 . 1 1 34 34 ARG CD C 13 43.665 0.300 . 1 . . . . 34 ARG CD . 10088 1 332 . 1 1 34 34 ARG N N 15 113.626 0.300 . 1 . . . . 34 ARG N . 10088 1 333 . 1 1 34 34 ARG NE N 15 84.397 0.300 . 1 . . . . 34 ARG NE . 10088 1 334 . 1 1 35 35 ALA H H 1 8.339 0.030 . 1 . . . . 35 ALA H . 10088 1 335 . 1 1 35 35 ALA HA H 1 3.988 0.030 . 1 . . . . 35 ALA HA . 10088 1 336 . 1 1 35 35 ALA HB1 H 1 1.326 0.030 . 1 . . . . 35 ALA HB . 10088 1 337 . 1 1 35 35 ALA HB2 H 1 1.326 0.030 . 1 . . . . 35 ALA HB . 10088 1 338 . 1 1 35 35 ALA HB3 H 1 1.326 0.030 . 1 . . . . 35 ALA HB . 10088 1 339 . 1 1 35 35 ALA C C 13 179.080 0.300 . 1 . . . . 35 ALA C . 10088 1 340 . 1 1 35 35 ALA CA C 13 53.879 0.300 . 1 . . . . 35 ALA CA . 10088 1 341 . 1 1 35 35 ALA CB C 13 17.991 0.300 . 1 . . . . 35 ALA CB . 10088 1 342 . 1 1 35 35 ALA N N 15 124.279 0.300 . 1 . . . . 35 ALA N . 10088 1 343 . 1 1 36 36 GLY H H 1 8.738 0.030 . 1 . . . . 36 GLY H . 10088 1 344 . 1 1 36 36 GLY HA2 H 1 4.126 0.030 . 2 . . . . 36 GLY HA2 . 10088 1 345 . 1 1 36 36 GLY HA3 H 1 3.783 0.030 . 2 . . . . 36 GLY HA3 . 10088 1 346 . 1 1 36 36 GLY C C 13 173.251 0.300 . 1 . . . . 36 GLY C . 10088 1 347 . 1 1 36 36 GLY CA C 13 45.701 0.300 . 1 . . . . 36 GLY CA . 10088 1 348 . 1 1 36 36 GLY N N 15 109.895 0.300 . 1 . . . . 36 GLY N . 10088 1 349 . 1 1 37 37 ASP H H 1 7.955 0.030 . 1 . . . . 37 ASP H . 10088 1 350 . 1 1 37 37 ASP HA H 1 4.951 0.030 . 1 . . . . 37 ASP HA . 10088 1 351 . 1 1 37 37 ASP HB2 H 1 3.139 0.030 . 2 . . . . 37 ASP HB2 . 10088 1 352 . 1 1 37 37 ASP HB3 H 1 2.395 0.030 . 2 . . . . 37 ASP HB3 . 10088 1 353 . 1 1 37 37 ASP C C 13 175.133 0.300 . 1 . . . . 37 ASP C . 10088 1 354 . 1 1 37 37 ASP CA C 13 53.271 0.300 . 1 . . . . 37 ASP CA . 10088 1 355 . 1 1 37 37 ASP CB C 13 44.435 0.300 . 1 . . . . 37 ASP CB . 10088 1 356 . 1 1 37 37 ASP N N 15 121.531 0.300 . 1 . . . . 37 ASP N . 10088 1 357 . 1 1 38 38 ALA H H 1 8.859 0.030 . 1 . . . . 38 ALA H . 10088 1 358 . 1 1 38 38 ALA HA H 1 4.804 0.030 . 1 . . . . 38 ALA HA . 10088 1 359 . 1 1 38 38 ALA HB1 H 1 1.479 0.030 . 1 . . . . 38 ALA HB . 10088 1 360 . 1 1 38 38 ALA HB2 H 1 1.479 0.030 . 1 . . . . 38 ALA HB . 10088 1 361 . 1 1 38 38 ALA HB3 H 1 1.479 0.030 . 1 . . . . 38 ALA HB . 10088 1 362 . 1 1 38 38 ALA C C 13 178.594 0.300 . 1 . . . . 38 ALA C . 10088 1 363 . 1 1 38 38 ALA CA C 13 52.179 0.300 . 1 . . . . 38 ALA CA . 10088 1 364 . 1 1 38 38 ALA CB C 13 19.121 0.300 . 1 . . . . 38 ALA CB . 10088 1 365 . 1 1 38 38 ALA N N 15 128.826 0.300 . 1 . . . . 38 ALA N . 10088 1 366 . 1 1 39 39 GLY H H 1 9.237 0.030 . 1 . . . . 39 GLY H . 10088 1 367 . 1 1 39 39 GLY HA2 H 1 4.084 0.030 . 2 . . . . 39 GLY HA2 . 10088 1 368 . 1 1 39 39 GLY HA3 H 1 3.591 0.030 . 2 . . . . 39 GLY HA3 . 10088 1 369 . 1 1 39 39 GLY C C 13 172.077 0.300 . 1 . . . . 39 GLY C . 10088 1 370 . 1 1 39 39 GLY CA C 13 45.343 0.300 . 1 . . . . 39 GLY CA . 10088 1 371 . 1 1 39 39 GLY N N 15 107.638 0.300 . 1 . . . . 39 GLY N . 10088 1 372 . 1 1 40 40 ILE H H 1 8.479 0.030 . 1 . . . . 40 ILE H . 10088 1 373 . 1 1 40 40 ILE HA H 1 4.681 0.030 . 1 . . . . 40 ILE HA . 10088 1 374 . 1 1 40 40 ILE HB H 1 1.735 0.030 . 1 . . . . 40 ILE HB . 10088 1 375 . 1 1 40 40 ILE HG12 H 1 1.593 0.030 . 2 . . . . 40 ILE HG12 . 10088 1 376 . 1 1 40 40 ILE HG13 H 1 0.993 0.030 . 2 . . . . 40 ILE HG13 . 10088 1 377 . 1 1 40 40 ILE HG21 H 1 0.659 0.030 . 1 . . . . 40 ILE HG2 . 10088 1 378 . 1 1 40 40 ILE HG22 H 1 0.659 0.030 . 1 . . . . 40 ILE HG2 . 10088 1 379 . 1 1 40 40 ILE HG23 H 1 0.659 0.030 . 1 . . . . 40 ILE HG2 . 10088 1 380 . 1 1 40 40 ILE HD11 H 1 0.713 0.030 . 1 . . . . 40 ILE HD1 . 10088 1 381 . 1 1 40 40 ILE HD12 H 1 0.713 0.030 . 1 . . . . 40 ILE HD1 . 10088 1 382 . 1 1 40 40 ILE HD13 H 1 0.713 0.030 . 1 . . . . 40 ILE HD1 . 10088 1 383 . 1 1 40 40 ILE C C 13 174.729 0.300 . 1 . . . . 40 ILE C . 10088 1 384 . 1 1 40 40 ILE CA C 13 59.880 0.300 . 1 . . . . 40 ILE CA . 10088 1 385 . 1 1 40 40 ILE CB C 13 37.908 0.300 . 1 . . . . 40 ILE CB . 10088 1 386 . 1 1 40 40 ILE CG1 C 13 27.955 0.300 . 1 . . . . 40 ILE CG1 . 10088 1 387 . 1 1 40 40 ILE CG2 C 13 18.805 0.300 . 1 . . . . 40 ILE CG2 . 10088 1 388 . 1 1 40 40 ILE CD1 C 13 12.853 0.300 . 1 . . . . 40 ILE CD1 . 10088 1 389 . 1 1 40 40 ILE N N 15 120.391 0.300 . 1 . . . . 40 ILE N . 10088 1 390 . 1 1 41 41 PHE H H 1 8.957 0.030 . 1 . . . . 41 PHE H . 10088 1 391 . 1 1 41 41 PHE HA H 1 5.451 0.030 . 1 . . . . 41 PHE HA . 10088 1 392 . 1 1 41 41 PHE HB2 H 1 2.007 0.030 . 2 . . . . 41 PHE HB2 . 10088 1 393 . 1 1 41 41 PHE HB3 H 1 1.653 0.030 . 2 . . . . 41 PHE HB3 . 10088 1 394 . 1 1 41 41 PHE HD1 H 1 7.081 0.030 . 1 . . . . 41 PHE HD1 . 10088 1 395 . 1 1 41 41 PHE HD2 H 1 7.081 0.030 . 1 . . . . 41 PHE HD2 . 10088 1 396 . 1 1 41 41 PHE HE1 H 1 7.233 0.030 . 1 . . . . 41 PHE HE1 . 10088 1 397 . 1 1 41 41 PHE HE2 H 1 7.233 0.030 . 1 . . . . 41 PHE HE2 . 10088 1 398 . 1 1 41 41 PHE HZ H 1 7.305 0.030 . 1 . . . . 41 PHE HZ . 10088 1 399 . 1 1 41 41 PHE C C 13 176.226 0.300 . 1 . . . . 41 PHE C . 10088 1 400 . 1 1 41 41 PHE CA C 13 55.144 0.300 . 1 . . . . 41 PHE CA . 10088 1 401 . 1 1 41 41 PHE CB C 13 43.884 0.300 . 1 . . . . 41 PHE CB . 10088 1 402 . 1 1 41 41 PHE CD1 C 13 133.131 0.300 . 1 . . . . 41 PHE CD1 . 10088 1 403 . 1 1 41 41 PHE CD2 C 13 133.131 0.300 . 1 . . . . 41 PHE CD2 . 10088 1 404 . 1 1 41 41 PHE CE1 C 13 130.311 0.300 . 1 . . . . 41 PHE CE1 . 10088 1 405 . 1 1 41 41 PHE CE2 C 13 130.311 0.300 . 1 . . . . 41 PHE CE2 . 10088 1 406 . 1 1 41 41 PHE CZ C 13 129.754 0.300 . 1 . . . . 41 PHE CZ . 10088 1 407 . 1 1 41 41 PHE N N 15 123.551 0.300 . 1 . . . . 41 PHE N . 10088 1 408 . 1 1 42 42 VAL H H 1 8.823 0.030 . 1 . . . . 42 VAL H . 10088 1 409 . 1 1 42 42 VAL HA H 1 4.236 0.030 . 1 . . . . 42 VAL HA . 10088 1 410 . 1 1 42 42 VAL HB H 1 2.314 0.030 . 1 . . . . 42 VAL HB . 10088 1 411 . 1 1 42 42 VAL HG11 H 1 0.826 0.030 . 1 . . . . 42 VAL HG1 . 10088 1 412 . 1 1 42 42 VAL HG12 H 1 0.826 0.030 . 1 . . . . 42 VAL HG1 . 10088 1 413 . 1 1 42 42 VAL HG13 H 1 0.826 0.030 . 1 . . . . 42 VAL HG1 . 10088 1 414 . 1 1 42 42 VAL HG21 H 1 0.756 0.030 . 1 . . . . 42 VAL HG2 . 10088 1 415 . 1 1 42 42 VAL HG22 H 1 0.756 0.030 . 1 . . . . 42 VAL HG2 . 10088 1 416 . 1 1 42 42 VAL HG23 H 1 0.756 0.030 . 1 . . . . 42 VAL HG2 . 10088 1 417 . 1 1 42 42 VAL C C 13 175.528 0.300 . 1 . . . . 42 VAL C . 10088 1 418 . 1 1 42 42 VAL CA C 13 63.423 0.300 . 1 . . . . 42 VAL CA . 10088 1 419 . 1 1 42 42 VAL CB C 13 31.548 0.300 . 1 . . . . 42 VAL CB . 10088 1 420 . 1 1 42 42 VAL CG1 C 13 21.626 0.300 . 2 . . . . 42 VAL CG1 . 10088 1 421 . 1 1 42 42 VAL CG2 C 13 21.221 0.300 . 2 . . . . 42 VAL CG2 . 10088 1 422 . 1 1 42 42 VAL N N 15 120.820 0.300 . 1 . . . . 42 VAL N . 10088 1 423 . 1 1 43 43 SER H H 1 9.062 0.030 . 1 . . . . 43 SER H . 10088 1 424 . 1 1 43 43 SER HA H 1 4.627 0.030 . 1 . . . . 43 SER HA . 10088 1 425 . 1 1 43 43 SER HB2 H 1 4.070 0.030 . 2 . . . . 43 SER HB2 . 10088 1 426 . 1 1 43 43 SER HB3 H 1 3.400 0.030 . 2 . . . . 43 SER HB3 . 10088 1 427 . 1 1 43 43 SER C C 13 175.336 0.300 . 1 . . . . 43 SER C . 10088 1 428 . 1 1 43 43 SER CA C 13 58.389 0.300 . 1 . . . . 43 SER CA . 10088 1 429 . 1 1 43 43 SER CB C 13 65.386 0.300 . 1 . . . . 43 SER CB . 10088 1 430 . 1 1 43 43 SER N N 15 123.915 0.300 . 1 . . . . 43 SER N . 10088 1 431 . 1 1 44 44 ARG H H 1 7.387 0.030 . 1 . . . . 44 ARG H . 10088 1 432 . 1 1 44 44 ARG HA H 1 4.453 0.030 . 1 . . . . 44 ARG HA . 10088 1 433 . 1 1 44 44 ARG HB2 H 1 1.818 0.030 . 2 . . . . 44 ARG HB2 . 10088 1 434 . 1 1 44 44 ARG HB3 H 1 1.667 0.030 . 2 . . . . 44 ARG HB3 . 10088 1 435 . 1 1 44 44 ARG HG2 H 1 1.651 0.030 . 2 . . . . 44 ARG HG2 . 10088 1 436 . 1 1 44 44 ARG HG3 H 1 1.529 0.030 . 2 . . . . 44 ARG HG3 . 10088 1 437 . 1 1 44 44 ARG HD2 H 1 3.187 0.030 . 1 . . . . 44 ARG HD2 . 10088 1 438 . 1 1 44 44 ARG HD3 H 1 3.187 0.030 . 1 . . . . 44 ARG HD3 . 10088 1 439 . 1 1 44 44 ARG C C 13 173.919 0.300 . 1 . . . . 44 ARG C . 10088 1 440 . 1 1 44 44 ARG CA C 13 56.451 0.300 . 1 . . . . 44 ARG CA . 10088 1 441 . 1 1 44 44 ARG CB C 13 34.086 0.300 . 1 . . . . 44 ARG CB . 10088 1 442 . 1 1 44 44 ARG CG C 13 27.494 0.300 . 1 . . . . 44 ARG CG . 10088 1 443 . 1 1 44 44 ARG CD C 13 43.436 0.300 . 1 . . . . 44 ARG CD . 10088 1 444 . 1 1 44 44 ARG N N 15 121.777 0.300 . 1 . . . . 44 ARG N . 10088 1 445 . 1 1 45 45 ILE H H 1 8.755 0.030 . 1 . . . . 45 ILE H . 10088 1 446 . 1 1 45 45 ILE HA H 1 4.450 0.030 . 1 . . . . 45 ILE HA . 10088 1 447 . 1 1 45 45 ILE HB H 1 1.676 0.030 . 1 . . . . 45 ILE HB . 10088 1 448 . 1 1 45 45 ILE HG12 H 1 1.401 0.030 . 2 . . . . 45 ILE HG12 . 10088 1 449 . 1 1 45 45 ILE HG13 H 1 0.842 0.030 . 2 . . . . 45 ILE HG13 . 10088 1 450 . 1 1 45 45 ILE HG21 H 1 0.913 0.030 . 1 . . . . 45 ILE HG2 . 10088 1 451 . 1 1 45 45 ILE HG22 H 1 0.913 0.030 . 1 . . . . 45 ILE HG2 . 10088 1 452 . 1 1 45 45 ILE HG23 H 1 0.913 0.030 . 1 . . . . 45 ILE HG2 . 10088 1 453 . 1 1 45 45 ILE HD11 H 1 0.649 0.030 . 1 . . . . 45 ILE HD1 . 10088 1 454 . 1 1 45 45 ILE HD12 H 1 0.649 0.030 . 1 . . . . 45 ILE HD1 . 10088 1 455 . 1 1 45 45 ILE HD13 H 1 0.649 0.030 . 1 . . . . 45 ILE HD1 . 10088 1 456 . 1 1 45 45 ILE C C 13 174.860 0.300 . 1 . . . . 45 ILE C . 10088 1 457 . 1 1 45 45 ILE CA C 13 60.752 0.300 . 1 . . . . 45 ILE CA . 10088 1 458 . 1 1 45 45 ILE CB C 13 40.878 0.300 . 1 . . . . 45 ILE CB . 10088 1 459 . 1 1 45 45 ILE CG1 C 13 27.918 0.300 . 1 . . . . 45 ILE CG1 . 10088 1 460 . 1 1 45 45 ILE CG2 C 13 17.437 0.300 . 1 . . . . 45 ILE CG2 . 10088 1 461 . 1 1 45 45 ILE CD1 C 13 14.186 0.300 . 1 . . . . 45 ILE CD1 . 10088 1 462 . 1 1 45 45 ILE N N 15 124.061 0.300 . 1 . . . . 45 ILE N . 10088 1 463 . 1 1 46 46 ALA H H 1 8.072 0.030 . 1 . . . . 46 ALA H . 10088 1 464 . 1 1 46 46 ALA HA H 1 4.305 0.030 . 1 . . . . 46 ALA HA . 10088 1 465 . 1 1 46 46 ALA HB1 H 1 1.350 0.030 . 1 . . . . 46 ALA HB . 10088 1 466 . 1 1 46 46 ALA HB2 H 1 1.350 0.030 . 1 . . . . 46 ALA HB . 10088 1 467 . 1 1 46 46 ALA HB3 H 1 1.350 0.030 . 1 . . . . 46 ALA HB . 10088 1 468 . 1 1 46 46 ALA C C 13 178.199 0.300 . 1 . . . . 46 ALA C . 10088 1 469 . 1 1 46 46 ALA CA C 13 51.987 0.300 . 1 . . . . 46 ALA CA . 10088 1 470 . 1 1 46 46 ALA CB C 13 19.141 0.300 . 1 . . . . 46 ALA CB . 10088 1 471 . 1 1 46 46 ALA N N 15 130.136 0.300 . 1 . . . . 46 ALA N . 10088 1 472 . 1 1 47 47 GLU H H 1 9.100 0.030 . 1 . . . . 47 GLU H . 10088 1 473 . 1 1 47 47 GLU HA H 1 3.535 0.030 . 1 . . . . 47 GLU HA . 10088 1 474 . 1 1 47 47 GLU HB2 H 1 1.911 0.030 . 1 . . . . 47 GLU HB2 . 10088 1 475 . 1 1 47 47 GLU HB3 H 1 1.911 0.030 . 1 . . . . 47 GLU HB3 . 10088 1 476 . 1 1 47 47 GLU HG2 H 1 2.152 0.030 . 1 . . . . 47 GLU HG2 . 10088 1 477 . 1 1 47 47 GLU HG3 H 1 2.152 0.030 . 1 . . . . 47 GLU HG3 . 10088 1 478 . 1 1 47 47 GLU C C 13 178.129 0.300 . 1 . . . . 47 GLU C . 10088 1 479 . 1 1 47 47 GLU CA C 13 58.199 0.300 . 1 . . . . 47 GLU CA . 10088 1 480 . 1 1 47 47 GLU CB C 13 29.050 0.300 . 1 . . . . 47 GLU CB . 10088 1 481 . 1 1 47 47 GLU CG C 13 36.244 0.300 . 1 . . . . 47 GLU CG . 10088 1 482 . 1 1 47 47 GLU N N 15 127.739 0.300 . 1 . . . . 47 GLU N . 10088 1 483 . 1 1 48 48 GLY H H 1 9.558 0.030 . 1 . . . . 48 GLY H . 10088 1 484 . 1 1 48 48 GLY HA2 H 1 4.195 0.030 . 2 . . . . 48 GLY HA2 . 10088 1 485 . 1 1 48 48 GLY HA3 H 1 3.912 0.030 . 2 . . . . 48 GLY HA3 . 10088 1 486 . 1 1 48 48 GLY C C 13 174.850 0.300 . 1 . . . . 48 GLY C . 10088 1 487 . 1 1 48 48 GLY CA C 13 45.440 0.300 . 1 . . . . 48 GLY CA . 10088 1 488 . 1 1 48 48 GLY N N 15 115.150 0.300 . 1 . . . . 48 GLY N . 10088 1 489 . 1 1 49 49 GLY H H 1 7.632 0.030 . 1 . . . . 49 GLY H . 10088 1 490 . 1 1 49 49 GLY HA2 H 1 4.353 0.030 . 2 . . . . 49 GLY HA2 . 10088 1 491 . 1 1 49 49 GLY HA3 H 1 4.050 0.030 . 2 . . . . 49 GLY HA3 . 10088 1 492 . 1 1 49 49 GLY C C 13 173.960 0.300 . 1 . . . . 49 GLY C . 10088 1 493 . 1 1 49 49 GLY CA C 13 44.971 0.300 . 1 . . . . 49 GLY CA . 10088 1 494 . 1 1 49 49 GLY N N 15 106.755 0.300 . 1 . . . . 49 GLY N . 10088 1 495 . 1 1 50 50 ALA H H 1 8.731 0.030 . 1 . . . . 50 ALA H . 10088 1 496 . 1 1 50 50 ALA HA H 1 4.091 0.030 . 1 . . . . 50 ALA HA . 10088 1 497 . 1 1 50 50 ALA HB1 H 1 1.615 0.030 . 1 . . . . 50 ALA HB . 10088 1 498 . 1 1 50 50 ALA HB2 H 1 1.615 0.030 . 1 . . . . 50 ALA HB . 10088 1 499 . 1 1 50 50 ALA HB3 H 1 1.615 0.030 . 1 . . . . 50 ALA HB . 10088 1 500 . 1 1 50 50 ALA C C 13 180.598 0.300 . 1 . . . . 50 ALA C . 10088 1 501 . 1 1 50 50 ALA CA C 13 55.511 0.300 . 1 . . . . 50 ALA CA . 10088 1 502 . 1 1 50 50 ALA CB C 13 18.583 0.300 . 1 . . . . 50 ALA CB . 10088 1 503 . 1 1 50 50 ALA N N 15 120.415 0.300 . 1 . . . . 50 ALA N . 10088 1 504 . 1 1 51 51 ALA H H 1 7.974 0.030 . 1 . . . . 51 ALA H . 10088 1 505 . 1 1 51 51 ALA HA H 1 4.144 0.030 . 1 . . . . 51 ALA HA . 10088 1 506 . 1 1 51 51 ALA HB1 H 1 1.496 0.030 . 1 . . . . 51 ALA HB . 10088 1 507 . 1 1 51 51 ALA HB2 H 1 1.496 0.030 . 1 . . . . 51 ALA HB . 10088 1 508 . 1 1 51 51 ALA HB3 H 1 1.496 0.030 . 1 . . . . 51 ALA HB . 10088 1 509 . 1 1 51 51 ALA C C 13 179.363 0.300 . 1 . . . . 51 ALA C . 10088 1 510 . 1 1 51 51 ALA CA C 13 54.828 0.300 . 1 . . . . 51 ALA CA . 10088 1 511 . 1 1 51 51 ALA CB C 13 18.931 0.300 . 1 . . . . 51 ALA CB . 10088 1 512 . 1 1 51 51 ALA N N 15 119.909 0.300 . 1 . . . . 51 ALA N . 10088 1 513 . 1 1 52 52 HIS H H 1 9.208 0.030 . 1 . . . . 52 HIS H . 10088 1 514 . 1 1 52 52 HIS HA H 1 4.238 0.030 . 1 . . . . 52 HIS HA . 10088 1 515 . 1 1 52 52 HIS HB2 H 1 3.338 0.030 . 2 . . . . 52 HIS HB2 . 10088 1 516 . 1 1 52 52 HIS HB3 H 1 3.247 0.030 . 2 . . . . 52 HIS HB3 . 10088 1 517 . 1 1 52 52 HIS HD2 H 1 7.176 0.030 . 1 . . . . 52 HIS HD2 . 10088 1 518 . 1 1 52 52 HIS HE1 H 1 7.950 0.030 . 1 . . . . 52 HIS HE1 . 10088 1 519 . 1 1 52 52 HIS C C 13 177.866 0.300 . 1 . . . . 52 HIS C . 10088 1 520 . 1 1 52 52 HIS CA C 13 59.005 0.300 . 1 . . . . 52 HIS CA . 10088 1 521 . 1 1 52 52 HIS CB C 13 31.878 0.300 . 1 . . . . 52 HIS CB . 10088 1 522 . 1 1 52 52 HIS CD2 C 13 118.311 0.300 . 1 . . . . 52 HIS CD2 . 10088 1 523 . 1 1 52 52 HIS CE1 C 13 138.720 0.300 . 1 . . . . 52 HIS CE1 . 10088 1 524 . 1 1 52 52 HIS N N 15 121.945 0.300 . 1 . . . . 52 HIS N . 10088 1 525 . 1 1 53 53 ARG H H 1 8.369 0.030 . 1 . . . . 53 ARG H . 10088 1 526 . 1 1 53 53 ARG HA H 1 3.922 0.030 . 1 . . . . 53 ARG HA . 10088 1 527 . 1 1 53 53 ARG HB2 H 1 1.872 0.030 . 1 . . . . 53 ARG HB2 . 10088 1 528 . 1 1 53 53 ARG HB3 H 1 1.872 0.030 . 1 . . . . 53 ARG HB3 . 10088 1 529 . 1 1 53 53 ARG HG2 H 1 1.771 0.030 . 2 . . . . 53 ARG HG2 . 10088 1 530 . 1 1 53 53 ARG HG3 H 1 1.650 0.030 . 2 . . . . 53 ARG HG3 . 10088 1 531 . 1 1 53 53 ARG HD2 H 1 3.187 0.030 . 2 . . . . 53 ARG HD2 . 10088 1 532 . 1 1 53 53 ARG C C 13 178.017 0.300 . 1 . . . . 53 ARG C . 10088 1 533 . 1 1 53 53 ARG CA C 13 58.377 0.300 . 1 . . . . 53 ARG CA . 10088 1 534 . 1 1 53 53 ARG CB C 13 30.284 0.300 . 1 . . . . 53 ARG CB . 10088 1 535 . 1 1 53 53 ARG CG C 13 27.828 0.300 . 1 . . . . 53 ARG CG . 10088 1 536 . 1 1 53 53 ARG CD C 13 43.436 0.300 . 1 . . . . 53 ARG CD . 10088 1 537 . 1 1 53 53 ARG N N 15 117.178 0.300 . 1 . . . . 53 ARG N . 10088 1 538 . 1 1 54 54 ALA H H 1 7.864 0.030 . 1 . . . . 54 ALA H . 10088 1 539 . 1 1 54 54 ALA HA H 1 4.255 0.030 . 1 . . . . 54 ALA HA . 10088 1 540 . 1 1 54 54 ALA HB1 H 1 1.583 0.030 . 1 . . . . 54 ALA HB . 10088 1 541 . 1 1 54 54 ALA HB2 H 1 1.583 0.030 . 1 . . . . 54 ALA HB . 10088 1 542 . 1 1 54 54 ALA HB3 H 1 1.583 0.030 . 1 . . . . 54 ALA HB . 10088 1 543 . 1 1 54 54 ALA C C 13 179.930 0.300 . 1 . . . . 54 ALA C . 10088 1 544 . 1 1 54 54 ALA CA C 13 54.107 0.300 . 1 . . . . 54 ALA CA . 10088 1 545 . 1 1 54 54 ALA CB C 13 19.225 0.300 . 1 . . . . 54 ALA CB . 10088 1 546 . 1 1 54 54 ALA N N 15 120.274 0.300 . 1 . . . . 54 ALA N . 10088 1 547 . 1 1 55 55 GLY H H 1 7.635 0.030 . 1 . . . . 55 GLY H . 10088 1 548 . 1 1 55 55 GLY HA2 H 1 4.064 0.030 . 2 . . . . 55 GLY HA2 . 10088 1 549 . 1 1 55 55 GLY HA3 H 1 3.999 0.030 . 2 . . . . 55 GLY HA3 . 10088 1 550 . 1 1 55 55 GLY C C 13 175.406 0.300 . 1 . . . . 55 GLY C . 10088 1 551 . 1 1 55 55 GLY CA C 13 46.365 0.300 . 1 . . . . 55 GLY CA . 10088 1 552 . 1 1 55 55 GLY N N 15 103.310 0.300 . 1 . . . . 55 GLY N . 10088 1 553 . 1 1 56 56 THR H H 1 7.208 0.030 . 1 . . . . 56 THR H . 10088 1 554 . 1 1 56 56 THR HA H 1 4.230 0.030 . 1 . . . . 56 THR HA . 10088 1 555 . 1 1 56 56 THR HB H 1 4.426 0.030 . 1 . . . . 56 THR HB . 10088 1 556 . 1 1 56 56 THR HG21 H 1 1.255 0.030 . 1 . . . . 56 THR HG2 . 10088 1 557 . 1 1 56 56 THR HG22 H 1 1.255 0.030 . 1 . . . . 56 THR HG2 . 10088 1 558 . 1 1 56 56 THR HG23 H 1 1.255 0.030 . 1 . . . . 56 THR HG2 . 10088 1 559 . 1 1 56 56 THR C C 13 173.666 0.300 . 1 . . . . 56 THR C . 10088 1 560 . 1 1 56 56 THR CA C 13 61.501 0.300 . 1 . . . . 56 THR CA . 10088 1 561 . 1 1 56 56 THR CB C 13 69.455 0.300 . 1 . . . . 56 THR CB . 10088 1 562 . 1 1 56 56 THR CG2 C 13 22.803 0.300 . 1 . . . . 56 THR CG2 . 10088 1 563 . 1 1 56 56 THR N N 15 106.618 0.300 . 1 . . . . 56 THR N . 10088 1 564 . 1 1 57 57 LEU H H 1 7.914 0.030 . 1 . . . . 57 LEU H . 10088 1 565 . 1 1 57 57 LEU HA H 1 4.484 0.030 . 1 . . . . 57 LEU HA . 10088 1 566 . 1 1 57 57 LEU HB2 H 1 1.214 0.030 . 1 . . . . 57 LEU HB2 . 10088 1 567 . 1 1 57 57 LEU HB3 H 1 1.214 0.030 . 1 . . . . 57 LEU HB3 . 10088 1 568 . 1 1 57 57 LEU HG H 1 1.279 0.030 . 1 . . . . 57 LEU HG . 10088 1 569 . 1 1 57 57 LEU HD11 H 1 0.390 0.030 . 1 . . . . 57 LEU HD1 . 10088 1 570 . 1 1 57 57 LEU HD12 H 1 0.390 0.030 . 1 . . . . 57 LEU HD1 . 10088 1 571 . 1 1 57 57 LEU HD13 H 1 0.390 0.030 . 1 . . . . 57 LEU HD1 . 10088 1 572 . 1 1 57 57 LEU HD21 H 1 0.116 0.030 . 1 . . . . 57 LEU HD2 . 10088 1 573 . 1 1 57 57 LEU HD22 H 1 0.116 0.030 . 1 . . . . 57 LEU HD2 . 10088 1 574 . 1 1 57 57 LEU HD23 H 1 0.116 0.030 . 1 . . . . 57 LEU HD2 . 10088 1 575 . 1 1 57 57 LEU C C 13 174.516 0.300 . 1 . . . . 57 LEU C . 10088 1 576 . 1 1 57 57 LEU CA C 13 54.704 0.300 . 1 . . . . 57 LEU CA . 10088 1 577 . 1 1 57 57 LEU CB C 13 45.996 0.300 . 1 . . . . 57 LEU CB . 10088 1 578 . 1 1 57 57 LEU CG C 13 27.950 0.300 . 1 . . . . 57 LEU CG . 10088 1 579 . 1 1 57 57 LEU CD1 C 13 25.714 0.300 . 2 . . . . 57 LEU CD1 . 10088 1 580 . 1 1 57 57 LEU CD2 C 13 25.964 0.300 . 2 . . . . 57 LEU CD2 . 10088 1 581 . 1 1 57 57 LEU N N 15 121.122 0.300 . 1 . . . . 57 LEU N . 10088 1 582 . 1 1 58 58 GLN H H 1 8.537 0.030 . 1 . . . . 58 GLN H . 10088 1 583 . 1 1 58 58 GLN HA H 1 4.432 0.030 . 1 . . . . 58 GLN HA . 10088 1 584 . 1 1 58 58 GLN HB2 H 1 2.024 0.030 . 2 . . . . 58 GLN HB2 . 10088 1 585 . 1 1 58 58 GLN HB3 H 1 1.812 0.030 . 2 . . . . 58 GLN HB3 . 10088 1 586 . 1 1 58 58 GLN HG2 H 1 2.331 0.030 . 2 . . . . 58 GLN HG2 . 10088 1 587 . 1 1 58 58 GLN HG3 H 1 2.160 0.030 . 2 . . . . 58 GLN HG3 . 10088 1 588 . 1 1 58 58 GLN HE21 H 1 7.424 0.030 . 2 . . . . 58 GLN HE21 . 10088 1 589 . 1 1 58 58 GLN HE22 H 1 6.802 0.030 . 2 . . . . 58 GLN HE22 . 10088 1 590 . 1 1 58 58 GLN C C 13 174.911 0.300 . 1 . . . . 58 GLN C . 10088 1 591 . 1 1 58 58 GLN CA C 13 54.072 0.300 . 1 . . . . 58 GLN CA . 10088 1 592 . 1 1 58 58 GLN CB C 13 32.180 0.300 . 1 . . . . 58 GLN CB . 10088 1 593 . 1 1 58 58 GLN CG C 13 33.789 0.300 . 1 . . . . 58 GLN CG . 10088 1 594 . 1 1 58 58 GLN N N 15 121.130 0.300 . 1 . . . . 58 GLN N . 10088 1 595 . 1 1 58 58 GLN NE2 N 15 111.291 0.300 . 1 . . . . 58 GLN NE2 . 10088 1 596 . 1 1 59 59 VAL H H 1 8.601 0.030 . 1 . . . . 59 VAL H . 10088 1 597 . 1 1 59 59 VAL HA H 1 3.364 0.030 . 1 . . . . 59 VAL HA . 10088 1 598 . 1 1 59 59 VAL HB H 1 1.918 0.030 . 1 . . . . 59 VAL HB . 10088 1 599 . 1 1 59 59 VAL HG11 H 1 0.996 0.030 . 1 . . . . 59 VAL HG1 . 10088 1 600 . 1 1 59 59 VAL HG12 H 1 0.996 0.030 . 1 . . . . 59 VAL HG1 . 10088 1 601 . 1 1 59 59 VAL HG13 H 1 0.996 0.030 . 1 . . . . 59 VAL HG1 . 10088 1 602 . 1 1 59 59 VAL HG21 H 1 0.953 0.030 . 1 . . . . 59 VAL HG2 . 10088 1 603 . 1 1 59 59 VAL HG22 H 1 0.953 0.030 . 1 . . . . 59 VAL HG2 . 10088 1 604 . 1 1 59 59 VAL HG23 H 1 0.953 0.030 . 1 . . . . 59 VAL HG2 . 10088 1 605 . 1 1 59 59 VAL C C 13 178.027 0.300 . 1 . . . . 59 VAL C . 10088 1 606 . 1 1 59 59 VAL CA C 13 65.457 0.300 . 1 . . . . 59 VAL CA . 10088 1 607 . 1 1 59 59 VAL CB C 13 31.166 0.300 . 1 . . . . 59 VAL CB . 10088 1 608 . 1 1 59 59 VAL CG1 C 13 21.666 0.300 . 2 . . . . 59 VAL CG1 . 10088 1 609 . 1 1 59 59 VAL CG2 C 13 23.072 0.300 . 2 . . . . 59 VAL CG2 . 10088 1 610 . 1 1 59 59 VAL N N 15 123.005 0.300 . 1 . . . . 59 VAL N . 10088 1 611 . 1 1 60 60 GLY H H 1 9.647 0.030 . 1 . . . . 60 GLY H . 10088 1 612 . 1 1 60 60 GLY HA2 H 1 4.649 0.030 . 2 . . . . 60 GLY HA2 . 10088 1 613 . 1 1 60 60 GLY HA3 H 1 3.531 0.030 . 2 . . . . 60 GLY HA3 . 10088 1 614 . 1 1 60 60 GLY C C 13 174.546 0.300 . 1 . . . . 60 GLY C . 10088 1 615 . 1 1 60 60 GLY CA C 13 44.947 0.300 . 1 . . . . 60 GLY CA . 10088 1 616 . 1 1 60 60 GLY N N 15 117.481 0.300 . 1 . . . . 60 GLY N . 10088 1 617 . 1 1 61 61 ASP H H 1 8.084 0.030 . 1 . . . . 61 ASP H . 10088 1 618 . 1 1 61 61 ASP HA H 1 4.692 0.030 . 1 . . . . 61 ASP HA . 10088 1 619 . 1 1 61 61 ASP HB2 H 1 2.636 0.030 . 2 . . . . 61 ASP HB2 . 10088 1 620 . 1 1 61 61 ASP HB3 H 1 2.370 0.030 . 2 . . . . 61 ASP HB3 . 10088 1 621 . 1 1 61 61 ASP C C 13 175.376 0.300 . 1 . . . . 61 ASP C . 10088 1 622 . 1 1 61 61 ASP CA C 13 55.797 0.300 . 1 . . . . 61 ASP CA . 10088 1 623 . 1 1 61 61 ASP CB C 13 41.457 0.300 . 1 . . . . 61 ASP CB . 10088 1 624 . 1 1 61 61 ASP N N 15 122.905 0.300 . 1 . . . . 61 ASP N . 10088 1 625 . 1 1 62 62 ARG H H 1 8.873 0.030 . 1 . . . . 62 ARG H . 10088 1 626 . 1 1 62 62 ARG HA H 1 4.115 0.030 . 1 . . . . 62 ARG HA . 10088 1 627 . 1 1 62 62 ARG HB2 H 1 1.732 0.030 . 1 . . . . 62 ARG HB2 . 10088 1 628 . 1 1 62 62 ARG HB3 H 1 1.732 0.030 . 1 . . . . 62 ARG HB3 . 10088 1 629 . 1 1 62 62 ARG HG2 H 1 0.821 0.030 . 2 . . . . 62 ARG HG2 . 10088 1 630 . 1 1 62 62 ARG HG3 H 1 0.779 0.030 . 2 . . . . 62 ARG HG3 . 10088 1 631 . 1 1 62 62 ARG HD2 H 1 3.342 0.030 . 2 . . . . 62 ARG HD2 . 10088 1 632 . 1 1 62 62 ARG HD3 H 1 2.842 0.030 . 2 . . . . 62 ARG HD3 . 10088 1 633 . 1 1 62 62 ARG HE H 1 7.457 0.030 . 1 . . . . 62 ARG HE . 10088 1 634 . 1 1 62 62 ARG C C 13 175.781 0.300 . 1 . . . . 62 ARG C . 10088 1 635 . 1 1 62 62 ARG CA C 13 55.070 0.300 . 1 . . . . 62 ARG CA . 10088 1 636 . 1 1 62 62 ARG CB C 13 32.958 0.300 . 1 . . . . 62 ARG CB . 10088 1 637 . 1 1 62 62 ARG CG C 13 26.647 0.300 . 1 . . . . 62 ARG CG . 10088 1 638 . 1 1 62 62 ARG CD C 13 43.417 0.300 . 1 . . . . 62 ARG CD . 10088 1 639 . 1 1 62 62 ARG N N 15 124.597 0.300 . 1 . . . . 62 ARG N . 10088 1 640 . 1 1 62 62 ARG NE N 15 81.976 0.300 . 1 . . . . 62 ARG NE . 10088 1 641 . 1 1 63 63 VAL H H 1 8.936 0.030 . 1 . . . . 63 VAL H . 10088 1 642 . 1 1 63 63 VAL HA H 1 3.949 0.030 . 1 . . . . 63 VAL HA . 10088 1 643 . 1 1 63 63 VAL HB H 1 1.686 0.030 . 1 . . . . 63 VAL HB . 10088 1 644 . 1 1 63 63 VAL HG11 H 1 0.625 0.030 . 1 . . . . 63 VAL HG1 . 10088 1 645 . 1 1 63 63 VAL HG12 H 1 0.625 0.030 . 1 . . . . 63 VAL HG1 . 10088 1 646 . 1 1 63 63 VAL HG13 H 1 0.625 0.030 . 1 . . . . 63 VAL HG1 . 10088 1 647 . 1 1 63 63 VAL HG21 H 1 0.649 0.030 . 1 . . . . 63 VAL HG2 . 10088 1 648 . 1 1 63 63 VAL HG22 H 1 0.649 0.030 . 1 . . . . 63 VAL HG2 . 10088 1 649 . 1 1 63 63 VAL HG23 H 1 0.649 0.030 . 1 . . . . 63 VAL HG2 . 10088 1 650 . 1 1 63 63 VAL C C 13 174.111 0.300 . 1 . . . . 63 VAL C . 10088 1 651 . 1 1 63 63 VAL CA C 13 62.292 0.300 . 1 . . . . 63 VAL CA . 10088 1 652 . 1 1 63 63 VAL CB C 13 31.340 0.300 . 1 . . . . 63 VAL CB . 10088 1 653 . 1 1 63 63 VAL CG1 C 13 22.449 0.300 . 2 . . . . 63 VAL CG1 . 10088 1 654 . 1 1 63 63 VAL CG2 C 13 20.975 0.300 . 2 . . . . 63 VAL CG2 . 10088 1 655 . 1 1 63 63 VAL N N 15 127.739 0.300 . 1 . . . . 63 VAL N . 10088 1 656 . 1 1 64 64 LEU H H 1 9.062 0.030 . 1 . . . . 64 LEU H . 10088 1 657 . 1 1 64 64 LEU HA H 1 4.356 0.030 . 1 . . . . 64 LEU HA . 10088 1 658 . 1 1 64 64 LEU HB2 H 1 1.469 0.030 . 1 . . . . 64 LEU HB2 . 10088 1 659 . 1 1 64 64 LEU HB3 H 1 1.469 0.030 . 1 . . . . 64 LEU HB3 . 10088 1 660 . 1 1 64 64 LEU HG H 1 1.455 0.030 . 1 . . . . 64 LEU HG . 10088 1 661 . 1 1 64 64 LEU HD11 H 1 0.715 0.030 . 1 . . . . 64 LEU HD1 . 10088 1 662 . 1 1 64 64 LEU HD12 H 1 0.715 0.030 . 1 . . . . 64 LEU HD1 . 10088 1 663 . 1 1 64 64 LEU HD13 H 1 0.715 0.030 . 1 . . . . 64 LEU HD1 . 10088 1 664 . 1 1 64 64 LEU HD21 H 1 0.657 0.030 . 1 . . . . 64 LEU HD2 . 10088 1 665 . 1 1 64 64 LEU HD22 H 1 0.657 0.030 . 1 . . . . 64 LEU HD2 . 10088 1 666 . 1 1 64 64 LEU HD23 H 1 0.657 0.030 . 1 . . . . 64 LEU HD2 . 10088 1 667 . 1 1 64 64 LEU C C 13 178.392 0.300 . 1 . . . . 64 LEU C . 10088 1 668 . 1 1 64 64 LEU CA C 13 55.549 0.300 . 1 . . . . 64 LEU CA . 10088 1 669 . 1 1 64 64 LEU CB C 13 42.232 0.300 . 1 . . . . 64 LEU CB . 10088 1 670 . 1 1 64 64 LEU CG C 13 27.092 0.300 . 1 . . . . 64 LEU CG . 10088 1 671 . 1 1 64 64 LEU CD1 C 13 25.163 0.300 . 2 . . . . 64 LEU CD1 . 10088 1 672 . 1 1 64 64 LEU CD2 C 13 22.877 0.300 . 2 . . . . 64 LEU CD2 . 10088 1 673 . 1 1 64 64 LEU N N 15 126.100 0.300 . 1 . . . . 64 LEU N . 10088 1 674 . 1 1 65 65 SER H H 1 7.522 0.030 . 1 . . . . 65 SER H . 10088 1 675 . 1 1 65 65 SER HA H 1 5.382 0.030 . 1 . . . . 65 SER HA . 10088 1 676 . 1 1 65 65 SER HB2 H 1 3.658 0.030 . 2 . . . . 65 SER HB2 . 10088 1 677 . 1 1 65 65 SER HB3 H 1 3.416 0.030 . 2 . . . . 65 SER HB3 . 10088 1 678 . 1 1 65 65 SER C C 13 172.988 0.300 . 1 . . . . 65 SER C . 10088 1 679 . 1 1 65 65 SER CA C 13 56.921 0.300 . 1 . . . . 65 SER CA . 10088 1 680 . 1 1 65 65 SER CB C 13 65.792 0.300 . 1 . . . . 65 SER CB . 10088 1 681 . 1 1 65 65 SER N N 15 111.170 0.300 . 1 . . . . 65 SER N . 10088 1 682 . 1 1 66 66 ILE H H 1 8.389 0.030 . 1 . . . . 66 ILE H . 10088 1 683 . 1 1 66 66 ILE HA H 1 4.489 0.030 . 1 . . . . 66 ILE HA . 10088 1 684 . 1 1 66 66 ILE HB H 1 1.581 0.030 . 1 . . . . 66 ILE HB . 10088 1 685 . 1 1 66 66 ILE HG12 H 1 1.424 0.030 . 2 . . . . 66 ILE HG12 . 10088 1 686 . 1 1 66 66 ILE HG13 H 1 0.745 0.030 . 2 . . . . 66 ILE HG13 . 10088 1 687 . 1 1 66 66 ILE HG21 H 1 0.698 0.030 . 1 . . . . 66 ILE HG2 . 10088 1 688 . 1 1 66 66 ILE HG22 H 1 0.698 0.030 . 1 . . . . 66 ILE HG2 . 10088 1 689 . 1 1 66 66 ILE HG23 H 1 0.698 0.030 . 1 . . . . 66 ILE HG2 . 10088 1 690 . 1 1 66 66 ILE HD11 H 1 0.797 0.030 . 1 . . . . 66 ILE HD1 . 10088 1 691 . 1 1 66 66 ILE HD12 H 1 0.797 0.030 . 1 . . . . 66 ILE HD1 . 10088 1 692 . 1 1 66 66 ILE HD13 H 1 0.797 0.030 . 1 . . . . 66 ILE HD1 . 10088 1 693 . 1 1 66 66 ILE C C 13 175.356 0.300 . 1 . . . . 66 ILE C . 10088 1 694 . 1 1 66 66 ILE CA C 13 60.643 0.300 . 1 . . . . 66 ILE CA . 10088 1 695 . 1 1 66 66 ILE CB C 13 40.632 0.300 . 1 . . . . 66 ILE CB . 10088 1 696 . 1 1 66 66 ILE CG1 C 13 26.805 0.300 . 1 . . . . 66 ILE CG1 . 10088 1 697 . 1 1 66 66 ILE CG2 C 13 17.657 0.300 . 1 . . . . 66 ILE CG2 . 10088 1 698 . 1 1 66 66 ILE CD1 C 13 14.398 0.300 . 1 . . . . 66 ILE CD1 . 10088 1 699 . 1 1 66 66 ILE N N 15 120.785 0.300 . 1 . . . . 66 ILE N . 10088 1 700 . 1 1 67 67 ASN H H 1 9.984 0.030 . 1 . . . . 67 ASN H . 10088 1 701 . 1 1 67 67 ASN HA H 1 4.578 0.030 . 1 . . . . 67 ASN HA . 10088 1 702 . 1 1 67 67 ASN HB2 H 1 3.247 0.030 . 2 . . . . 67 ASN HB2 . 10088 1 703 . 1 1 67 67 ASN HB3 H 1 2.958 0.030 . 2 . . . . 67 ASN HB3 . 10088 1 704 . 1 1 67 67 ASN HD21 H 1 8.010 0.030 . 2 . . . . 67 ASN HD21 . 10088 1 705 . 1 1 67 67 ASN HD22 H 1 6.743 0.030 . 2 . . . . 67 ASN HD22 . 10088 1 706 . 1 1 67 67 ASN C C 13 175.225 0.300 . 1 . . . . 67 ASN C . 10088 1 707 . 1 1 67 67 ASN CA C 13 54.125 0.300 . 1 . . . . 67 ASN CA . 10088 1 708 . 1 1 67 67 ASN CB C 13 36.808 0.300 . 1 . . . . 67 ASN CB . 10088 1 709 . 1 1 67 67 ASN N N 15 126.976 0.300 . 1 . . . . 67 ASN N . 10088 1 710 . 1 1 67 67 ASN ND2 N 15 111.891 0.300 . 1 . . . . 67 ASN ND2 . 10088 1 711 . 1 1 68 68 GLY H H 1 8.732 0.030 . 1 . . . . 68 GLY H . 10088 1 712 . 1 1 68 68 GLY HA2 H 1 4.163 0.030 . 2 . . . . 68 GLY HA2 . 10088 1 713 . 1 1 68 68 GLY HA3 H 1 3.523 0.030 . 2 . . . . 68 GLY HA3 . 10088 1 714 . 1 1 68 68 GLY C C 13 173.808 0.300 . 1 . . . . 68 GLY C . 10088 1 715 . 1 1 68 68 GLY CA C 13 45.235 0.300 . 1 . . . . 68 GLY CA . 10088 1 716 . 1 1 68 68 GLY N N 15 102.259 0.300 . 1 . . . . 68 GLY N . 10088 1 717 . 1 1 69 69 VAL H H 1 7.998 0.030 . 1 . . . . 69 VAL H . 10088 1 718 . 1 1 69 69 VAL HA H 1 4.008 0.030 . 1 . . . . 69 VAL HA . 10088 1 719 . 1 1 69 69 VAL HB H 1 2.290 0.030 . 1 . . . . 69 VAL HB . 10088 1 720 . 1 1 69 69 VAL HG11 H 1 0.909 0.030 . 1 . . . . 69 VAL HG1 . 10088 1 721 . 1 1 69 69 VAL HG12 H 1 0.909 0.030 . 1 . . . . 69 VAL HG1 . 10088 1 722 . 1 1 69 69 VAL HG13 H 1 0.909 0.030 . 1 . . . . 69 VAL HG1 . 10088 1 723 . 1 1 69 69 VAL HG21 H 1 0.968 0.030 . 1 . . . . 69 VAL HG2 . 10088 1 724 . 1 1 69 69 VAL HG22 H 1 0.968 0.030 . 1 . . . . 69 VAL HG2 . 10088 1 725 . 1 1 69 69 VAL HG23 H 1 0.968 0.030 . 1 . . . . 69 VAL HG2 . 10088 1 726 . 1 1 69 69 VAL C C 13 175.214 0.300 . 1 . . . . 69 VAL C . 10088 1 727 . 1 1 69 69 VAL CA C 13 62.269 0.300 . 1 . . . . 69 VAL CA . 10088 1 728 . 1 1 69 69 VAL CB C 13 31.967 0.300 . 1 . . . . 69 VAL CB . 10088 1 729 . 1 1 69 69 VAL CG1 C 13 21.410 0.300 . 2 . . . . 69 VAL CG1 . 10088 1 730 . 1 1 69 69 VAL CG2 C 13 21.258 0.300 . 2 . . . . 69 VAL CG2 . 10088 1 731 . 1 1 69 69 VAL N N 15 123.793 0.300 . 1 . . . . 69 VAL N . 10088 1 732 . 1 1 70 70 ASP H H 1 8.598 0.030 . 1 . . . . 70 ASP H . 10088 1 733 . 1 1 70 70 ASP HA H 1 4.564 0.030 . 1 . . . . 70 ASP HA . 10088 1 734 . 1 1 70 70 ASP HB2 H 1 2.840 0.030 . 2 . . . . 70 ASP HB2 . 10088 1 735 . 1 1 70 70 ASP HB3 H 1 2.762 0.030 . 2 . . . . 70 ASP HB3 . 10088 1 736 . 1 1 70 70 ASP C C 13 177.825 0.300 . 1 . . . . 70 ASP C . 10088 1 737 . 1 1 70 70 ASP CA C 13 55.151 0.300 . 1 . . . . 70 ASP CA . 10088 1 738 . 1 1 70 70 ASP CB C 13 41.449 0.300 . 1 . . . . 70 ASP CB . 10088 1 739 . 1 1 70 70 ASP N N 15 127.751 0.300 . 1 . . . . 70 ASP N . 10088 1 740 . 1 1 71 71 VAL H H 1 8.560 0.030 . 1 . . . . 71 VAL H . 10088 1 741 . 1 1 71 71 VAL HA H 1 4.744 0.030 . 1 . . . . 71 VAL HA . 10088 1 742 . 1 1 71 71 VAL HB H 1 2.491 0.030 . 1 . . . . 71 VAL HB . 10088 1 743 . 1 1 71 71 VAL HG11 H 1 0.710 0.030 . 1 . . . . 71 VAL HG1 . 10088 1 744 . 1 1 71 71 VAL HG12 H 1 0.710 0.030 . 1 . . . . 71 VAL HG1 . 10088 1 745 . 1 1 71 71 VAL HG13 H 1 0.710 0.030 . 1 . . . . 71 VAL HG1 . 10088 1 746 . 1 1 71 71 VAL HG21 H 1 0.478 0.030 . 1 . . . . 71 VAL HG2 . 10088 1 747 . 1 1 71 71 VAL HG22 H 1 0.478 0.030 . 1 . . . . 71 VAL HG2 . 10088 1 748 . 1 1 71 71 VAL HG23 H 1 0.478 0.030 . 1 . . . . 71 VAL HG2 . 10088 1 749 . 1 1 71 71 VAL C C 13 176.995 0.300 . 1 . . . . 71 VAL C . 10088 1 750 . 1 1 71 71 VAL CA C 13 60.078 0.300 . 1 . . . . 71 VAL CA . 10088 1 751 . 1 1 71 71 VAL CB C 13 31.037 0.300 . 1 . . . . 71 VAL CB . 10088 1 752 . 1 1 71 71 VAL CG1 C 13 20.789 0.300 . 2 . . . . 71 VAL CG1 . 10088 1 753 . 1 1 71 71 VAL CG2 C 13 18.885 0.300 . 2 . . . . 71 VAL CG2 . 10088 1 754 . 1 1 71 71 VAL N N 15 119.679 0.300 . 1 . . . . 71 VAL N . 10088 1 755 . 1 1 72 72 THR H H 1 8.957 0.030 . 1 . . . . 72 THR H . 10088 1 756 . 1 1 72 72 THR HA H 1 4.157 0.030 . 1 . . . . 72 THR HA . 10088 1 757 . 1 1 72 72 THR HB H 1 4.252 0.030 . 1 . . . . 72 THR HB . 10088 1 758 . 1 1 72 72 THR HG21 H 1 1.519 0.030 . 1 . . . . 72 THR HG2 . 10088 1 759 . 1 1 72 72 THR HG22 H 1 1.519 0.030 . 1 . . . . 72 THR HG2 . 10088 1 760 . 1 1 72 72 THR HG23 H 1 1.519 0.030 . 1 . . . . 72 THR HG2 . 10088 1 761 . 1 1 72 72 THR C C 13 175.963 0.300 . 1 . . . . 72 THR C . 10088 1 762 . 1 1 72 72 THR CA C 13 66.170 0.300 . 1 . . . . 72 THR CA . 10088 1 763 . 1 1 72 72 THR CB C 13 69.571 0.300 . 1 . . . . 72 THR CB . 10088 1 764 . 1 1 72 72 THR CG2 C 13 23.290 0.300 . 1 . . . . 72 THR CG2 . 10088 1 765 . 1 1 72 72 THR N N 15 118.271 0.300 . 1 . . . . 72 THR N . 10088 1 766 . 1 1 73 73 GLU H H 1 8.379 0.030 . 1 . . . . 73 GLU H . 10088 1 767 . 1 1 73 73 GLU HA H 1 4.724 0.030 . 1 . . . . 73 GLU HA . 10088 1 768 . 1 1 73 73 GLU HB2 H 1 2.266 0.030 . 2 . . . . 73 GLU HB2 . 10088 1 769 . 1 1 73 73 GLU HB3 H 1 1.674 0.030 . 2 . . . . 73 GLU HB3 . 10088 1 770 . 1 1 73 73 GLU HG2 H 1 2.229 0.030 . 2 . . . . 73 GLU HG2 . 10088 1 771 . 1 1 73 73 GLU HG3 H 1 2.143 0.030 . 2 . . . . 73 GLU HG3 . 10088 1 772 . 1 1 73 73 GLU C C 13 175.700 0.300 . 1 . . . . 73 GLU C . 10088 1 773 . 1 1 73 73 GLU CA C 13 54.484 0.300 . 1 . . . . 73 GLU CA . 10088 1 774 . 1 1 73 73 GLU CB C 13 30.078 0.300 . 1 . . . . 73 GLU CB . 10088 1 775 . 1 1 73 73 GLU CG C 13 36.158 0.300 . 1 . . . . 73 GLU CG . 10088 1 776 . 1 1 73 73 GLU N N 15 118.850 0.300 . 1 . . . . 73 GLU N . 10088 1 777 . 1 1 74 74 ALA H H 1 6.986 0.030 . 1 . . . . 74 ALA H . 10088 1 778 . 1 1 74 74 ALA HA H 1 4.565 0.030 . 1 . . . . 74 ALA HA . 10088 1 779 . 1 1 74 74 ALA HB1 H 1 1.538 0.030 . 1 . . . . 74 ALA HB . 10088 1 780 . 1 1 74 74 ALA HB2 H 1 1.538 0.030 . 1 . . . . 74 ALA HB . 10088 1 781 . 1 1 74 74 ALA HB3 H 1 1.538 0.030 . 1 . . . . 74 ALA HB . 10088 1 782 . 1 1 74 74 ALA C C 13 179.171 0.300 . 1 . . . . 74 ALA C . 10088 1 783 . 1 1 74 74 ALA CA C 13 51.563 0.300 . 1 . . . . 74 ALA CA . 10088 1 784 . 1 1 74 74 ALA CB C 13 20.765 0.300 . 1 . . . . 74 ALA CB . 10088 1 785 . 1 1 74 74 ALA N N 15 120.516 0.300 . 1 . . . . 74 ALA N . 10088 1 786 . 1 1 75 75 ARG H H 1 8.917 0.030 . 1 . . . . 75 ARG H . 10088 1 787 . 1 1 75 75 ARG HA H 1 4.623 0.030 . 1 . . . . 75 ARG HA . 10088 1 788 . 1 1 75 75 ARG HB2 H 1 2.355 0.030 . 2 . . . . 75 ARG HB2 . 10088 1 789 . 1 1 75 75 ARG HB3 H 1 1.626 0.030 . 2 . . . . 75 ARG HB3 . 10088 1 790 . 1 1 75 75 ARG HG2 H 1 1.864 0.030 . 2 . . . . 75 ARG HG2 . 10088 1 791 . 1 1 75 75 ARG HG3 H 1 1.684 0.030 . 2 . . . . 75 ARG HG3 . 10088 1 792 . 1 1 75 75 ARG HD2 H 1 3.439 0.030 . 2 . . . . 75 ARG HD2 . 10088 1 793 . 1 1 75 75 ARG HD3 H 1 3.141 0.030 . 2 . . . . 75 ARG HD3 . 10088 1 794 . 1 1 75 75 ARG C C 13 177.602 0.300 . 1 . . . . 75 ARG C . 10088 1 795 . 1 1 75 75 ARG CA C 13 56.392 0.300 . 1 . . . . 75 ARG CA . 10088 1 796 . 1 1 75 75 ARG CB C 13 32.093 0.300 . 1 . . . . 75 ARG CB . 10088 1 797 . 1 1 75 75 ARG CG C 13 28.395 0.300 . 1 . . . . 75 ARG CG . 10088 1 798 . 1 1 75 75 ARG CD C 13 43.291 0.300 . 1 . . . . 75 ARG CD . 10088 1 799 . 1 1 75 75 ARG N N 15 118.573 0.300 . 1 . . . . 75 ARG N . 10088 1 800 . 1 1 76 76 HIS H H 1 9.045 0.030 . 1 . . . . 76 HIS H . 10088 1 801 . 1 1 76 76 HIS HA H 1 3.886 0.030 . 1 . . . . 76 HIS HA . 10088 1 802 . 1 1 76 76 HIS HB2 H 1 3.531 0.030 . 2 . . . . 76 HIS HB2 . 10088 1 803 . 1 1 76 76 HIS HB3 H 1 3.292 0.030 . 2 . . . . 76 HIS HB3 . 10088 1 804 . 1 1 76 76 HIS HD2 H 1 7.243 0.030 . 1 . . . . 76 HIS HD2 . 10088 1 805 . 1 1 76 76 HIS HE1 H 1 8.234 0.030 . 1 . . . . 76 HIS HE1 . 10088 1 806 . 1 1 76 76 HIS C C 13 176.429 0.300 . 1 . . . . 76 HIS C . 10088 1 807 . 1 1 76 76 HIS CA C 13 61.242 0.300 . 1 . . . . 76 HIS CA . 10088 1 808 . 1 1 76 76 HIS CB C 13 29.118 0.300 . 1 . . . . 76 HIS CB . 10088 1 809 . 1 1 76 76 HIS CD2 C 13 122.934 0.300 . 1 . . . . 76 HIS CD2 . 10088 1 810 . 1 1 76 76 HIS CE1 C 13 136.210 0.300 . 1 . . . . 76 HIS CE1 . 10088 1 811 . 1 1 76 76 HIS N N 15 122.760 0.300 . 1 . . . . 76 HIS N . 10088 1 812 . 1 1 77 77 ASP H H 1 9.111 0.030 . 1 . . . . 77 ASP H . 10088 1 813 . 1 1 77 77 ASP HA H 1 4.268 0.030 . 1 . . . . 77 ASP HA . 10088 1 814 . 1 1 77 77 ASP HB2 H 1 2.905 0.030 . 2 . . . . 77 ASP HB2 . 10088 1 815 . 1 1 77 77 ASP HB3 H 1 2.782 0.030 . 2 . . . . 77 ASP HB3 . 10088 1 816 . 1 1 77 77 ASP C C 13 178.898 0.300 . 1 . . . . 77 ASP C . 10088 1 817 . 1 1 77 77 ASP CA C 13 56.855 0.300 . 1 . . . . 77 ASP CA . 10088 1 818 . 1 1 77 77 ASP CB C 13 38.924 0.300 . 1 . . . . 77 ASP CB . 10088 1 819 . 1 1 77 77 ASP N N 15 115.507 0.300 . 1 . . . . 77 ASP N . 10088 1 820 . 1 1 78 78 HIS H H 1 7.485 0.030 . 1 . . . . 78 HIS H . 10088 1 821 . 1 1 78 78 HIS HA H 1 4.598 0.030 . 1 . . . . 78 HIS HA . 10088 1 822 . 1 1 78 78 HIS HB2 H 1 3.331 0.030 . 2 . . . . 78 HIS HB2 . 10088 1 823 . 1 1 78 78 HIS HB3 H 1 3.268 0.030 . 2 . . . . 78 HIS HB3 . 10088 1 824 . 1 1 78 78 HIS HD2 H 1 6.933 0.030 . 1 . . . . 78 HIS HD2 . 10088 1 825 . 1 1 78 78 HIS C C 13 177.350 0.300 . 1 . . . . 78 HIS C . 10088 1 826 . 1 1 78 78 HIS CA C 13 57.860 0.300 . 1 . . . . 78 HIS CA . 10088 1 827 . 1 1 78 78 HIS CB C 13 31.556 0.300 . 1 . . . . 78 HIS CB . 10088 1 828 . 1 1 78 78 HIS CD2 C 13 118.180 0.300 . 1 . . . . 78 HIS CD2 . 10088 1 829 . 1 1 78 78 HIS N N 15 122.276 0.300 . 1 . . . . 78 HIS N . 10088 1 830 . 1 1 79 79 ALA H H 1 7.771 0.030 . 1 . . . . 79 ALA H . 10088 1 831 . 1 1 79 79 ALA HA H 1 3.763 0.030 . 1 . . . . 79 ALA HA . 10088 1 832 . 1 1 79 79 ALA HB1 H 1 1.215 0.030 . 1 . . . . 79 ALA HB . 10088 1 833 . 1 1 79 79 ALA HB2 H 1 1.215 0.030 . 1 . . . . 79 ALA HB . 10088 1 834 . 1 1 79 79 ALA HB3 H 1 1.215 0.030 . 1 . . . . 79 ALA HB . 10088 1 835 . 1 1 79 79 ALA C C 13 178.584 0.300 . 1 . . . . 79 ALA C . 10088 1 836 . 1 1 79 79 ALA CA C 13 55.776 0.300 . 1 . . . . 79 ALA CA . 10088 1 837 . 1 1 79 79 ALA CB C 13 18.095 0.300 . 1 . . . . 79 ALA CB . 10088 1 838 . 1 1 79 79 ALA N N 15 121.149 0.300 . 1 . . . . 79 ALA N . 10088 1 839 . 1 1 80 80 VAL H H 1 8.132 0.030 . 1 . . . . 80 VAL H . 10088 1 840 . 1 1 80 80 VAL HA H 1 3.388 0.030 . 1 . . . . 80 VAL HA . 10088 1 841 . 1 1 80 80 VAL HB H 1 2.027 0.030 . 1 . . . . 80 VAL HB . 10088 1 842 . 1 1 80 80 VAL HG11 H 1 0.902 0.030 . 1 . . . . 80 VAL HG1 . 10088 1 843 . 1 1 80 80 VAL HG12 H 1 0.902 0.030 . 1 . . . . 80 VAL HG1 . 10088 1 844 . 1 1 80 80 VAL HG13 H 1 0.902 0.030 . 1 . . . . 80 VAL HG1 . 10088 1 845 . 1 1 80 80 VAL HG21 H 1 0.786 0.030 . 1 . . . . 80 VAL HG2 . 10088 1 846 . 1 1 80 80 VAL HG22 H 1 0.786 0.030 . 1 . . . . 80 VAL HG2 . 10088 1 847 . 1 1 80 80 VAL HG23 H 1 0.786 0.030 . 1 . . . . 80 VAL HG2 . 10088 1 848 . 1 1 80 80 VAL C C 13 179.272 0.300 . 1 . . . . 80 VAL C . 10088 1 849 . 1 1 80 80 VAL CA C 13 67.165 0.300 . 1 . . . . 80 VAL CA . 10088 1 850 . 1 1 80 80 VAL CB C 13 31.698 0.300 . 1 . . . . 80 VAL CB . 10088 1 851 . 1 1 80 80 VAL CG1 C 13 21.405 0.300 . 2 . . . . 80 VAL CG1 . 10088 1 852 . 1 1 80 80 VAL CG2 C 13 23.242 0.300 . 2 . . . . 80 VAL CG2 . 10088 1 853 . 1 1 80 80 VAL N N 15 115.904 0.300 . 1 . . . . 80 VAL N . 10088 1 854 . 1 1 81 81 SER H H 1 7.886 0.030 . 1 . . . . 81 SER H . 10088 1 855 . 1 1 81 81 SER HA H 1 4.162 0.030 . 1 . . . . 81 SER HA . 10088 1 856 . 1 1 81 81 SER HB2 H 1 4.050 0.030 . 1 . . . . 81 SER HB2 . 10088 1 857 . 1 1 81 81 SER HB3 H 1 4.050 0.030 . 1 . . . . 81 SER HB3 . 10088 1 858 . 1 1 81 81 SER C C 13 176.914 0.300 . 1 . . . . 81 SER C . 10088 1 859 . 1 1 81 81 SER CA C 13 62.001 0.300 . 1 . . . . 81 SER CA . 10088 1 860 . 1 1 81 81 SER CB C 13 62.608 0.300 . 1 . . . . 81 SER CB . 10088 1 861 . 1 1 81 81 SER N N 15 117.057 0.300 . 1 . . . . 81 SER N . 10088 1 862 . 1 1 82 82 LEU H H 1 7.677 0.030 . 1 . . . . 82 LEU H . 10088 1 863 . 1 1 82 82 LEU HA H 1 4.097 0.030 . 1 . . . . 82 LEU HA . 10088 1 864 . 1 1 82 82 LEU HB2 H 1 1.934 0.030 . 2 . . . . 82 LEU HB2 . 10088 1 865 . 1 1 82 82 LEU HB3 H 1 1.238 0.030 . 2 . . . . 82 LEU HB3 . 10088 1 866 . 1 1 82 82 LEU HG H 1 1.568 0.030 . 1 . . . . 82 LEU HG . 10088 1 867 . 1 1 82 82 LEU HD11 H 1 0.576 0.030 . 1 . . . . 82 LEU HD1 . 10088 1 868 . 1 1 82 82 LEU HD12 H 1 0.576 0.030 . 1 . . . . 82 LEU HD1 . 10088 1 869 . 1 1 82 82 LEU HD13 H 1 0.576 0.030 . 1 . . . . 82 LEU HD1 . 10088 1 870 . 1 1 82 82 LEU HD21 H 1 0.827 0.030 . 1 . . . . 82 LEU HD2 . 10088 1 871 . 1 1 82 82 LEU HD22 H 1 0.827 0.030 . 1 . . . . 82 LEU HD2 . 10088 1 872 . 1 1 82 82 LEU HD23 H 1 0.827 0.030 . 1 . . . . 82 LEU HD2 . 10088 1 873 . 1 1 82 82 LEU C C 13 179.110 0.300 . 1 . . . . 82 LEU C . 10088 1 874 . 1 1 82 82 LEU CA C 13 57.464 0.300 . 1 . . . . 82 LEU CA . 10088 1 875 . 1 1 82 82 LEU CB C 13 42.234 0.300 . 1 . . . . 82 LEU CB . 10088 1 876 . 1 1 82 82 LEU CG C 13 26.281 0.300 . 1 . . . . 82 LEU CG . 10088 1 877 . 1 1 82 82 LEU CD1 C 13 26.146 0.300 . 2 . . . . 82 LEU CD1 . 10088 1 878 . 1 1 82 82 LEU CD2 C 13 22.033 0.300 . 2 . . . . 82 LEU CD2 . 10088 1 879 . 1 1 82 82 LEU N N 15 121.836 0.300 . 1 . . . . 82 LEU N . 10088 1 880 . 1 1 83 83 LEU H H 1 7.722 0.030 . 1 . . . . 83 LEU H . 10088 1 881 . 1 1 83 83 LEU HA H 1 4.076 0.030 . 1 . . . . 83 LEU HA . 10088 1 882 . 1 1 83 83 LEU HB2 H 1 1.979 0.030 . 2 . . . . 83 LEU HB2 . 10088 1 883 . 1 1 83 83 LEU HB3 H 1 1.475 0.030 . 2 . . . . 83 LEU HB3 . 10088 1 884 . 1 1 83 83 LEU HG H 1 1.896 0.030 . 1 . . . . 83 LEU HG . 10088 1 885 . 1 1 83 83 LEU HD11 H 1 0.707 0.030 . 1 . . . . 83 LEU HD1 . 10088 1 886 . 1 1 83 83 LEU HD12 H 1 0.707 0.030 . 1 . . . . 83 LEU HD1 . 10088 1 887 . 1 1 83 83 LEU HD13 H 1 0.707 0.030 . 1 . . . . 83 LEU HD1 . 10088 1 888 . 1 1 83 83 LEU HD21 H 1 0.853 0.030 . 1 . . . . 83 LEU HD2 . 10088 1 889 . 1 1 83 83 LEU HD22 H 1 0.853 0.030 . 1 . . . . 83 LEU HD2 . 10088 1 890 . 1 1 83 83 LEU HD23 H 1 0.853 0.030 . 1 . . . . 83 LEU HD2 . 10088 1 891 . 1 1 83 83 LEU C C 13 177.683 0.300 . 1 . . . . 83 LEU C . 10088 1 892 . 1 1 83 83 LEU CA C 13 56.686 0.300 . 1 . . . . 83 LEU CA . 10088 1 893 . 1 1 83 83 LEU CB C 13 42.102 0.300 . 1 . . . . 83 LEU CB . 10088 1 894 . 1 1 83 83 LEU CG C 13 26.444 0.300 . 1 . . . . 83 LEU CG . 10088 1 895 . 1 1 83 83 LEU CD1 C 13 25.886 0.300 . 2 . . . . 83 LEU CD1 . 10088 1 896 . 1 1 83 83 LEU CD2 C 13 24.514 0.300 . 2 . . . . 83 LEU CD2 . 10088 1 897 . 1 1 83 83 LEU N N 15 116.949 0.300 . 1 . . . . 83 LEU N . 10088 1 898 . 1 1 84 84 THR H H 1 7.652 0.030 . 1 . . . . 84 THR H . 10088 1 899 . 1 1 84 84 THR HA H 1 4.326 0.030 . 1 . . . . 84 THR HA . 10088 1 900 . 1 1 84 84 THR HB H 1 4.450 0.030 . 1 . . . . 84 THR HB . 10088 1 901 . 1 1 84 84 THR HG21 H 1 1.243 0.030 . 1 . . . . 84 THR HG2 . 10088 1 902 . 1 1 84 84 THR HG22 H 1 1.243 0.030 . 1 . . . . 84 THR HG2 . 10088 1 903 . 1 1 84 84 THR HG23 H 1 1.243 0.030 . 1 . . . . 84 THR HG2 . 10088 1 904 . 1 1 84 84 THR C C 13 174.192 0.300 . 1 . . . . 84 THR C . 10088 1 905 . 1 1 84 84 THR CA C 13 61.545 0.300 . 1 . . . . 84 THR CA . 10088 1 906 . 1 1 84 84 THR CB C 13 69.627 0.300 . 1 . . . . 84 THR CB . 10088 1 907 . 1 1 84 84 THR CG2 C 13 21.493 0.300 . 1 . . . . 84 THR CG2 . 10088 1 908 . 1 1 84 84 THR N N 15 108.074 0.300 . 1 . . . . 84 THR N . 10088 1 909 . 1 1 85 85 ALA H H 1 7.054 0.030 . 1 . . . . 85 ALA H . 10088 1 910 . 1 1 85 85 ALA HA H 1 4.274 0.030 . 1 . . . . 85 ALA HA . 10088 1 911 . 1 1 85 85 ALA HB1 H 1 1.489 0.030 . 1 . . . . 85 ALA HB . 10088 1 912 . 1 1 85 85 ALA HB2 H 1 1.489 0.030 . 1 . . . . 85 ALA HB . 10088 1 913 . 1 1 85 85 ALA HB3 H 1 1.489 0.030 . 1 . . . . 85 ALA HB . 10088 1 914 . 1 1 85 85 ALA C C 13 177.066 0.300 . 1 . . . . 85 ALA C . 10088 1 915 . 1 1 85 85 ALA CA C 13 52.414 0.300 . 1 . . . . 85 ALA CA . 10088 1 916 . 1 1 85 85 ALA CB C 13 19.352 0.300 . 1 . . . . 85 ALA CB . 10088 1 917 . 1 1 85 85 ALA N N 15 125.067 0.300 . 1 . . . . 85 ALA N . 10088 1 918 . 1 1 86 86 ALA H H 1 8.341 0.030 . 1 . . . . 86 ALA H . 10088 1 919 . 1 1 86 86 ALA HA H 1 4.252 0.030 . 1 . . . . 86 ALA HA . 10088 1 920 . 1 1 86 86 ALA HB1 H 1 1.386 0.030 . 1 . . . . 86 ALA HB . 10088 1 921 . 1 1 86 86 ALA HB2 H 1 1.386 0.030 . 1 . . . . 86 ALA HB . 10088 1 922 . 1 1 86 86 ALA HB3 H 1 1.386 0.030 . 1 . . . . 86 ALA HB . 10088 1 923 . 1 1 86 86 ALA C C 13 177.319 0.300 . 1 . . . . 86 ALA C . 10088 1 924 . 1 1 86 86 ALA CA C 13 52.656 0.300 . 1 . . . . 86 ALA CA . 10088 1 925 . 1 1 86 86 ALA CB C 13 17.854 0.300 . 1 . . . . 86 ALA CB . 10088 1 926 . 1 1 86 86 ALA N N 15 123.475 0.300 . 1 . . . . 86 ALA N . 10088 1 927 . 1 1 87 87 SER H H 1 7.596 0.030 . 1 . . . . 87 SER H . 10088 1 928 . 1 1 87 87 SER HB2 H 1 3.956 0.030 . 2 . . . . 87 SER HB2 . 10088 1 929 . 1 1 87 87 SER HB3 H 1 3.914 0.030 . 2 . . . . 87 SER HB3 . 10088 1 930 . 1 1 87 87 SER C C 13 173.494 0.300 . 1 . . . . 87 SER C . 10088 1 931 . 1 1 87 87 SER CA C 13 56.194 0.300 . 1 . . . . 87 SER CA . 10088 1 932 . 1 1 87 87 SER CB C 13 63.933 0.300 . 1 . . . . 87 SER CB . 10088 1 933 . 1 1 87 87 SER N N 15 116.632 0.300 . 1 . . . . 87 SER N . 10088 1 934 . 1 1 88 88 PRO HA H 1 4.397 0.030 . 1 . . . . 88 PRO HA . 10088 1 935 . 1 1 88 88 PRO HB2 H 1 2.429 0.030 . 2 . . . . 88 PRO HB2 . 10088 1 936 . 1 1 88 88 PRO HB3 H 1 2.086 0.030 . 2 . . . . 88 PRO HB3 . 10088 1 937 . 1 1 88 88 PRO HG2 H 1 2.167 0.030 . 2 . . . . 88 PRO HG2 . 10088 1 938 . 1 1 88 88 PRO HG3 H 1 2.102 0.030 . 2 . . . . 88 PRO HG3 . 10088 1 939 . 1 1 88 88 PRO HD2 H 1 3.964 0.030 . 2 . . . . 88 PRO HD2 . 10088 1 940 . 1 1 88 88 PRO HD3 H 1 3.877 0.030 . 2 . . . . 88 PRO HD3 . 10088 1 941 . 1 1 88 88 PRO C C 13 177.360 0.300 . 1 . . . . 88 PRO C . 10088 1 942 . 1 1 88 88 PRO CA C 13 65.197 0.300 . 1 . . . . 88 PRO CA . 10088 1 943 . 1 1 88 88 PRO CB C 13 32.317 0.300 . 1 . . . . 88 PRO CB . 10088 1 944 . 1 1 88 88 PRO CG C 13 27.550 0.300 . 1 . . . . 88 PRO CG . 10088 1 945 . 1 1 88 88 PRO CD C 13 50.825 0.300 . 1 . . . . 88 PRO CD . 10088 1 946 . 1 1 89 89 THR H H 1 7.391 0.030 . 1 . . . . 89 THR H . 10088 1 947 . 1 1 89 89 THR HA H 1 5.005 0.030 . 1 . . . . 89 THR HA . 10088 1 948 . 1 1 89 89 THR HB H 1 3.986 0.030 . 1 . . . . 89 THR HB . 10088 1 949 . 1 1 89 89 THR HG21 H 1 1.059 0.030 . 1 . . . . 89 THR HG2 . 10088 1 950 . 1 1 89 89 THR HG22 H 1 1.059 0.030 . 1 . . . . 89 THR HG2 . 10088 1 951 . 1 1 89 89 THR HG23 H 1 1.059 0.030 . 1 . . . . 89 THR HG2 . 10088 1 952 . 1 1 89 89 THR C C 13 173.312 0.300 . 1 . . . . 89 THR C . 10088 1 953 . 1 1 89 89 THR CA C 13 59.705 0.300 . 1 . . . . 89 THR CA . 10088 1 954 . 1 1 89 89 THR CB C 13 72.199 0.300 . 1 . . . . 89 THR CB . 10088 1 955 . 1 1 89 89 THR CG2 C 13 21.916 0.300 . 1 . . . . 89 THR CG2 . 10088 1 956 . 1 1 89 89 THR N N 15 107.928 0.300 . 1 . . . . 89 THR N . 10088 1 957 . 1 1 90 90 ILE H H 1 9.039 0.030 . 1 . . . . 90 ILE H . 10088 1 958 . 1 1 90 90 ILE HA H 1 4.687 0.030 . 1 . . . . 90 ILE HA . 10088 1 959 . 1 1 90 90 ILE HB H 1 1.863 0.030 . 1 . . . . 90 ILE HB . 10088 1 960 . 1 1 90 90 ILE HG12 H 1 1.292 0.030 . 2 . . . . 90 ILE HG12 . 10088 1 961 . 1 1 90 90 ILE HG13 H 1 1.564 0.030 . 2 . . . . 90 ILE HG13 . 10088 1 962 . 1 1 90 90 ILE HG21 H 1 0.877 0.030 . 1 . . . . 90 ILE HG2 . 10088 1 963 . 1 1 90 90 ILE HG22 H 1 0.877 0.030 . 1 . . . . 90 ILE HG2 . 10088 1 964 . 1 1 90 90 ILE HG23 H 1 0.877 0.030 . 1 . . . . 90 ILE HG2 . 10088 1 965 . 1 1 90 90 ILE HD11 H 1 0.935 0.030 . 1 . . . . 90 ILE HD1 . 10088 1 966 . 1 1 90 90 ILE HD12 H 1 0.935 0.030 . 1 . . . . 90 ILE HD1 . 10088 1 967 . 1 1 90 90 ILE HD13 H 1 0.935 0.030 . 1 . . . . 90 ILE HD1 . 10088 1 968 . 1 1 90 90 ILE C C 13 173.393 0.300 . 1 . . . . 90 ILE C . 10088 1 969 . 1 1 90 90 ILE CA C 13 59.314 0.300 . 1 . . . . 90 ILE CA . 10088 1 970 . 1 1 90 90 ILE CB C 13 40.143 0.300 . 1 . . . . 90 ILE CB . 10088 1 971 . 1 1 90 90 ILE CG1 C 13 27.549 0.300 . 1 . . . . 90 ILE CG1 . 10088 1 972 . 1 1 90 90 ILE CG2 C 13 18.170 0.300 . 1 . . . . 90 ILE CG2 . 10088 1 973 . 1 1 90 90 ILE CD1 C 13 13.263 0.300 . 1 . . . . 90 ILE CD1 . 10088 1 974 . 1 1 90 90 ILE N N 15 123.369 0.300 . 1 . . . . 90 ILE N . 10088 1 975 . 1 1 91 91 ALA H H 1 8.531 0.030 . 1 . . . . 91 ALA H . 10088 1 976 . 1 1 91 91 ALA HA H 1 5.246 0.030 . 1 . . . . 91 ALA HA . 10088 1 977 . 1 1 91 91 ALA HB1 H 1 1.343 0.030 . 1 . . . . 91 ALA HB . 10088 1 978 . 1 1 91 91 ALA HB2 H 1 1.343 0.030 . 1 . . . . 91 ALA HB . 10088 1 979 . 1 1 91 91 ALA HB3 H 1 1.343 0.030 . 1 . . . . 91 ALA HB . 10088 1 980 . 1 1 91 91 ALA C C 13 176.995 0.300 . 1 . . . . 91 ALA C . 10088 1 981 . 1 1 91 91 ALA CA C 13 50.387 0.300 . 1 . . . . 91 ALA CA . 10088 1 982 . 1 1 91 91 ALA CB C 13 20.251 0.300 . 1 . . . . 91 ALA CB . 10088 1 983 . 1 1 91 91 ALA N N 15 128.853 0.300 . 1 . . . . 91 ALA N . 10088 1 984 . 1 1 92 92 LEU H H 1 9.350 0.030 . 1 . . . . 92 LEU H . 10088 1 985 . 1 1 92 92 LEU HA H 1 5.179 0.030 . 1 . . . . 92 LEU HA . 10088 1 986 . 1 1 92 92 LEU HB2 H 1 1.735 0.030 . 2 . . . . 92 LEU HB2 . 10088 1 987 . 1 1 92 92 LEU HB3 H 1 1.293 0.030 . 2 . . . . 92 LEU HB3 . 10088 1 988 . 1 1 92 92 LEU HG H 1 1.608 0.030 . 1 . . . . 92 LEU HG . 10088 1 989 . 1 1 92 92 LEU HD11 H 1 0.681 0.030 . 1 . . . . 92 LEU HD1 . 10088 1 990 . 1 1 92 92 LEU HD12 H 1 0.681 0.030 . 1 . . . . 92 LEU HD1 . 10088 1 991 . 1 1 92 92 LEU HD13 H 1 0.681 0.030 . 1 . . . . 92 LEU HD1 . 10088 1 992 . 1 1 92 92 LEU HD21 H 1 0.858 0.030 . 1 . . . . 92 LEU HD2 . 10088 1 993 . 1 1 92 92 LEU HD22 H 1 0.858 0.030 . 1 . . . . 92 LEU HD2 . 10088 1 994 . 1 1 92 92 LEU HD23 H 1 0.858 0.030 . 1 . . . . 92 LEU HD2 . 10088 1 995 . 1 1 92 92 LEU C C 13 175.062 0.300 . 1 . . . . 92 LEU C . 10088 1 996 . 1 1 92 92 LEU CA C 13 53.471 0.300 . 1 . . . . 92 LEU CA . 10088 1 997 . 1 1 92 92 LEU CB C 13 45.032 0.300 . 1 . . . . 92 LEU CB . 10088 1 998 . 1 1 92 92 LEU CG C 13 27.319 0.300 . 1 . . . . 92 LEU CG . 10088 1 999 . 1 1 92 92 LEU CD1 C 13 26.673 0.300 . 2 . . . . 92 LEU CD1 . 10088 1 1000 . 1 1 92 92 LEU CD2 C 13 25.820 0.300 . 2 . . . . 92 LEU CD2 . 10088 1 1001 . 1 1 92 92 LEU N N 15 125.336 0.300 . 1 . . . . 92 LEU N . 10088 1 1002 . 1 1 93 93 LEU H H 1 7.924 0.030 . 1 . . . . 93 LEU H . 10088 1 1003 . 1 1 93 93 LEU HA H 1 4.918 0.030 . 1 . . . . 93 LEU HA . 10088 1 1004 . 1 1 93 93 LEU HB2 H 1 1.989 0.030 . 2 . . . . 93 LEU HB2 . 10088 1 1005 . 1 1 93 93 LEU HB3 H 1 1.220 0.030 . 2 . . . . 93 LEU HB3 . 10088 1 1006 . 1 1 93 93 LEU HG H 1 1.352 0.030 . 1 . . . . 93 LEU HG . 10088 1 1007 . 1 1 93 93 LEU HD11 H 1 0.828 0.030 . 1 . . . . 93 LEU HD1 . 10088 1 1008 . 1 1 93 93 LEU HD12 H 1 0.828 0.030 . 1 . . . . 93 LEU HD1 . 10088 1 1009 . 1 1 93 93 LEU HD13 H 1 0.828 0.030 . 1 . . . . 93 LEU HD1 . 10088 1 1010 . 1 1 93 93 LEU HD21 H 1 0.841 0.030 . 1 . . . . 93 LEU HD2 . 10088 1 1011 . 1 1 93 93 LEU HD22 H 1 0.841 0.030 . 1 . . . . 93 LEU HD2 . 10088 1 1012 . 1 1 93 93 LEU HD23 H 1 0.841 0.030 . 1 . . . . 93 LEU HD2 . 10088 1 1013 . 1 1 93 93 LEU C C 13 174.769 0.300 . 1 . . . . 93 LEU C . 10088 1 1014 . 1 1 93 93 LEU CA C 13 54.777 0.300 . 1 . . . . 93 LEU CA . 10088 1 1015 . 1 1 93 93 LEU CB C 13 43.467 0.300 . 1 . . . . 93 LEU CB . 10088 1 1016 . 1 1 93 93 LEU CG C 13 27.631 0.300 . 1 . . . . 93 LEU CG . 10088 1 1017 . 1 1 93 93 LEU CD1 C 13 25.898 0.300 . 2 . . . . 93 LEU CD1 . 10088 1 1018 . 1 1 93 93 LEU CD2 C 13 23.216 0.300 . 2 . . . . 93 LEU CD2 . 10088 1 1019 . 1 1 93 93 LEU N N 15 124.567 0.300 . 1 . . . . 93 LEU N . 10088 1 1020 . 1 1 94 94 LEU H H 1 9.045 0.030 . 1 . . . . 94 LEU H . 10088 1 1021 . 1 1 94 94 LEU HA H 1 5.520 0.030 . 1 . . . . 94 LEU HA . 10088 1 1022 . 1 1 94 94 LEU HB2 H 1 1.270 0.030 . 2 . . . . 94 LEU HB2 . 10088 1 1023 . 1 1 94 94 LEU HB3 H 1 1.197 0.030 . 2 . . . . 94 LEU HB3 . 10088 1 1024 . 1 1 94 94 LEU HG H 1 1.508 0.030 . 1 . . . . 94 LEU HG . 10088 1 1025 . 1 1 94 94 LEU HD11 H 1 0.788 0.030 . 1 . . . . 94 LEU HD1 . 10088 1 1026 . 1 1 94 94 LEU HD12 H 1 0.788 0.030 . 1 . . . . 94 LEU HD1 . 10088 1 1027 . 1 1 94 94 LEU HD13 H 1 0.788 0.030 . 1 . . . . 94 LEU HD1 . 10088 1 1028 . 1 1 94 94 LEU HD21 H 1 0.725 0.030 . 1 . . . . 94 LEU HD2 . 10088 1 1029 . 1 1 94 94 LEU HD22 H 1 0.725 0.030 . 1 . . . . 94 LEU HD2 . 10088 1 1030 . 1 1 94 94 LEU HD23 H 1 0.725 0.030 . 1 . . . . 94 LEU HD2 . 10088 1 1031 . 1 1 94 94 LEU C C 13 175.741 0.300 . 1 . . . . 94 LEU C . 10088 1 1032 . 1 1 94 94 LEU CA C 13 52.912 0.300 . 1 . . . . 94 LEU CA . 10088 1 1033 . 1 1 94 94 LEU CB C 13 45.540 0.300 . 1 . . . . 94 LEU CB . 10088 1 1034 . 1 1 94 94 LEU CG C 13 26.573 0.300 . 1 . . . . 94 LEU CG . 10088 1 1035 . 1 1 94 94 LEU CD1 C 13 26.517 0.300 . 2 . . . . 94 LEU CD1 . 10088 1 1036 . 1 1 94 94 LEU CD2 C 13 25.278 0.300 . 2 . . . . 94 LEU CD2 . 10088 1 1037 . 1 1 94 94 LEU N N 15 127.442 0.300 . 1 . . . . 94 LEU N . 10088 1 1038 . 1 1 95 95 GLU H H 1 9.222 0.030 . 1 . . . . 95 GLU H . 10088 1 1039 . 1 1 95 95 GLU HA H 1 5.049 0.030 . 1 . . . . 95 GLU HA . 10088 1 1040 . 1 1 95 95 GLU HB2 H 1 2.070 0.030 . 2 . . . . 95 GLU HB2 . 10088 1 1041 . 1 1 95 95 GLU HB3 H 1 1.840 0.030 . 2 . . . . 95 GLU HB3 . 10088 1 1042 . 1 1 95 95 GLU HG2 H 1 2.128 0.030 . 1 . . . . 95 GLU HG2 . 10088 1 1043 . 1 1 95 95 GLU HG3 H 1 2.128 0.030 . 1 . . . . 95 GLU HG3 . 10088 1 1044 . 1 1 95 95 GLU C C 13 174.314 0.300 . 1 . . . . 95 GLU C . 10088 1 1045 . 1 1 95 95 GLU CA C 13 55.115 0.300 . 1 . . . . 95 GLU CA . 10088 1 1046 . 1 1 95 95 GLU CB C 13 34.144 0.300 . 1 . . . . 95 GLU CB . 10088 1 1047 . 1 1 95 95 GLU CG C 13 37.630 0.300 . 1 . . . . 95 GLU CG . 10088 1 1048 . 1 1 95 95 GLU N N 15 120.394 0.300 . 1 . . . . 95 GLU N . 10088 1 1049 . 1 1 96 96 ARG H H 1 8.905 0.030 . 1 . . . . 96 ARG H . 10088 1 1050 . 1 1 96 96 ARG HA H 1 4.847 0.030 . 1 . . . . 96 ARG HA . 10088 1 1051 . 1 1 96 96 ARG HB2 H 1 1.840 0.030 . 2 . . . . 96 ARG HB2 . 10088 1 1052 . 1 1 96 96 ARG HB3 H 1 1.674 0.030 . 2 . . . . 96 ARG HB3 . 10088 1 1053 . 1 1 96 96 ARG HG2 H 1 1.656 0.030 . 1 . . . . 96 ARG HG2 . 10088 1 1054 . 1 1 96 96 ARG HG3 H 1 1.656 0.030 . 1 . . . . 96 ARG HG3 . 10088 1 1055 . 1 1 96 96 ARG HD2 H 1 3.106 0.030 . 2 . . . . 96 ARG HD2 . 10088 1 1056 . 1 1 96 96 ARG HD3 H 1 2.849 0.030 . 2 . . . . 96 ARG HD3 . 10088 1 1057 . 1 1 96 96 ARG HE H 1 9.206 0.030 . 1 . . . . 96 ARG HE . 10088 1 1058 . 1 1 96 96 ARG C C 13 175.477 0.300 . 1 . . . . 96 ARG C . 10088 1 1059 . 1 1 96 96 ARG CA C 13 55.151 0.300 . 1 . . . . 96 ARG CA . 10088 1 1060 . 1 1 96 96 ARG CB C 13 34.002 0.300 . 1 . . . . 96 ARG CB . 10088 1 1061 . 1 1 96 96 ARG CG C 13 25.957 0.300 . 1 . . . . 96 ARG CG . 10088 1 1062 . 1 1 96 96 ARG CD C 13 43.400 0.300 . 1 . . . . 96 ARG CD . 10088 1 1063 . 1 1 96 96 ARG N N 15 129.305 0.300 . 1 . . . . 96 ARG N . 10088 1 1064 . 1 1 96 96 ARG NE N 15 85.632 0.300 . 1 . . . . 96 ARG NE . 10088 1 1065 . 1 1 97 97 GLU H H 1 8.981 0.030 . 1 . . . . 97 GLU H . 10088 1 1066 . 1 1 97 97 GLU HA H 1 4.446 0.030 . 1 . . . . 97 GLU HA . 10088 1 1067 . 1 1 97 97 GLU HB2 H 1 2.147 0.030 . 2 . . . . 97 GLU HB2 . 10088 1 1068 . 1 1 97 97 GLU HB3 H 1 2.060 0.030 . 2 . . . . 97 GLU HB3 . 10088 1 1069 . 1 1 97 97 GLU HG2 H 1 2.422 0.030 . 2 . . . . 97 GLU HG2 . 10088 1 1070 . 1 1 97 97 GLU HG3 H 1 2.380 0.030 . 2 . . . . 97 GLU HG3 . 10088 1 1071 . 1 1 97 97 GLU C C 13 176.176 0.300 . 1 . . . . 97 GLU C . 10088 1 1072 . 1 1 97 97 GLU CA C 13 56.543 0.300 . 1 . . . . 97 GLU CA . 10088 1 1073 . 1 1 97 97 GLU CB C 13 30.674 0.300 . 1 . . . . 97 GLU CB . 10088 1 1074 . 1 1 97 97 GLU CG C 13 36.320 0.300 . 1 . . . . 97 GLU CG . 10088 1 1075 . 1 1 97 97 GLU N N 15 127.300 0.300 . 1 . . . . 97 GLU N . 10088 1 1076 . 1 1 98 98 ALA H H 1 8.586 0.030 . 1 . . . . 98 ALA H . 10088 1 1077 . 1 1 98 98 ALA HA H 1 4.367 0.030 . 1 . . . . 98 ALA HA . 10088 1 1078 . 1 1 98 98 ALA HB1 H 1 1.425 0.030 . 1 . . . . 98 ALA HB . 10088 1 1079 . 1 1 98 98 ALA HB2 H 1 1.425 0.030 . 1 . . . . 98 ALA HB . 10088 1 1080 . 1 1 98 98 ALA HB3 H 1 1.425 0.030 . 1 . . . . 98 ALA HB . 10088 1 1081 . 1 1 98 98 ALA C C 13 178.301 0.300 . 1 . . . . 98 ALA C . 10088 1 1082 . 1 1 98 98 ALA CA C 13 52.768 0.300 . 1 . . . . 98 ALA CA . 10088 1 1083 . 1 1 98 98 ALA CB C 13 19.429 0.300 . 1 . . . . 98 ALA CB . 10088 1 1084 . 1 1 98 98 ALA N N 15 126.200 0.300 . 1 . . . . 98 ALA N . 10088 1 1085 . 1 1 99 99 GLY H H 1 8.474 0.030 . 1 . . . . 99 GLY H . 10088 1 1086 . 1 1 99 99 GLY HA2 H 1 4.066 0.030 . 1 . . . . 99 GLY HA2 . 10088 1 1087 . 1 1 99 99 GLY HA3 H 1 4.066 0.030 . 1 . . . . 99 GLY HA3 . 10088 1 1088 . 1 1 99 99 GLY C C 13 174.263 0.300 . 1 . . . . 99 GLY C . 10088 1 1089 . 1 1 99 99 GLY CA C 13 45.365 0.300 . 1 . . . . 99 GLY CA . 10088 1 1090 . 1 1 99 99 GLY N N 15 108.588 0.300 . 1 . . . . 99 GLY N . 10088 1 1091 . 1 1 101 101 GLY HA2 H 1 4.154 0.030 . 2 . . . . 101 GLY HA2 . 10088 1 1092 . 1 1 101 101 GLY CA C 13 44.702 0.300 . 1 . . . . 101 GLY CA . 10088 1 1093 . 1 1 102 102 PRO HA H 1 4.490 0.030 . 1 . . . . 102 PRO HA . 10088 1 1094 . 1 1 102 102 PRO HB2 H 1 2.312 0.030 . 2 . . . . 102 PRO HB2 . 10088 1 1095 . 1 1 102 102 PRO HB3 H 1 1.996 0.030 . 2 . . . . 102 PRO HB3 . 10088 1 1096 . 1 1 102 102 PRO HG2 H 1 2.032 0.030 . 1 . . . . 102 PRO HG2 . 10088 1 1097 . 1 1 102 102 PRO HG3 H 1 2.032 0.030 . 1 . . . . 102 PRO HG3 . 10088 1 1098 . 1 1 102 102 PRO HD2 H 1 3.643 0.030 . 1 . . . . 102 PRO HD2 . 10088 1 1099 . 1 1 102 102 PRO HD3 H 1 3.643 0.030 . 1 . . . . 102 PRO HD3 . 10088 1 1100 . 1 1 102 102 PRO C C 13 177.441 0.300 . 1 . . . . 102 PRO C . 10088 1 1101 . 1 1 102 102 PRO CA C 13 63.239 0.300 . 1 . . . . 102 PRO CA . 10088 1 1102 . 1 1 102 102 PRO CB C 13 32.245 0.300 . 1 . . . . 102 PRO CB . 10088 1 1103 . 1 1 102 102 PRO CG C 13 27.175 0.300 . 1 . . . . 102 PRO CG . 10088 1 1104 . 1 1 102 102 PRO CD C 13 49.812 0.300 . 1 . . . . 102 PRO CD . 10088 1 1105 . 1 1 103 103 SER H H 1 8.513 0.030 . 1 . . . . 103 SER H . 10088 1 1106 . 1 1 103 103 SER C C 13 174.688 0.300 . 1 . . . . 103 SER C . 10088 1 1107 . 1 1 103 103 SER CA C 13 58.395 0.300 . 1 . . . . 103 SER CA . 10088 1 1108 . 1 1 103 103 SER CB C 13 63.933 0.300 . 1 . . . . 103 SER CB . 10088 1 1109 . 1 1 103 103 SER N N 15 116.389 0.300 . 1 . . . . 103 SER N . 10088 1 stop_ save_