data_10322 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10322 _Entry.Title ; Solution structure of the 12th filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-02 _Entry.Accession_date 2009-04-02 _Entry.Last_release_date 2010-04-07 _Entry.Original_release_date 2010-04-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10322 2 S. Koshiba . . . 10322 3 S. Watanabe . . . 10322 4 T. Harada . . . 10322 5 T. Kigawa . . . 10322 6 S. Yokoyama . . . 10322 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10322 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10322 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 416 10322 '15N chemical shifts' 96 10322 '1H chemical shifts' 643 10322 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 . . 2010-04-07 2009-04-02 original author . 10322 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DIC 'BMRB Entry Tracking System' 10322 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10322 _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 12th filamin domain from human Filamin-B' _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 T. Tomizawa . . . 10322 1 2 S. Koshiba . . . 10322 1 3 S. Watanabe . . . 10322 1 4 T. Harada . . . 10322 1 5 T. Kigawa . . . 10322 1 6 S. Yokoyama . . . 10322 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10322 _Assembly.ID 1 _Assembly.Name Filamin-B _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Filamin domain' 1 $entity_1 . . yes native no no . . . 10322 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 2DIC . . . . . . 10322 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10322 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Filamin 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 ; GSSGSSGGCQPSRVQAQGPG LKEAFTNKPNVFTVVTRGAG IGGLGITVEGPSESKINCRD NKDGSCSAEYIPFAPGDYDV NITYGGAHIPGSPFRVPVKD VVDPS ; _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 . _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 2DIC . "Solution Structure Of The 12th Filamin Domain From Human Filamin-B" . . . . . 100.00 105 100.00 100.00 1.11e-67 . . . . 10322 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10322 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 . 10322 1 2 . SER . 10322 1 3 . SER . 10322 1 4 . GLY . 10322 1 5 . SER . 10322 1 6 . SER . 10322 1 7 . GLY . 10322 1 8 . GLY . 10322 1 9 . CYS . 10322 1 10 . GLN . 10322 1 11 . PRO . 10322 1 12 . SER . 10322 1 13 . ARG . 10322 1 14 . VAL . 10322 1 15 . GLN . 10322 1 16 . ALA . 10322 1 17 . GLN . 10322 1 18 . GLY . 10322 1 19 . PRO . 10322 1 20 . GLY . 10322 1 21 . LEU . 10322 1 22 . LYS . 10322 1 23 . GLU . 10322 1 24 . ALA . 10322 1 25 . PHE . 10322 1 26 . THR . 10322 1 27 . ASN . 10322 1 28 . LYS . 10322 1 29 . PRO . 10322 1 30 . ASN . 10322 1 31 . VAL . 10322 1 32 . PHE . 10322 1 33 . THR . 10322 1 34 . VAL . 10322 1 35 . VAL . 10322 1 36 . THR . 10322 1 37 . ARG . 10322 1 38 . GLY . 10322 1 39 . ALA . 10322 1 40 . GLY . 10322 1 41 . ILE . 10322 1 42 . GLY . 10322 1 43 . GLY . 10322 1 44 . LEU . 10322 1 45 . GLY . 10322 1 46 . ILE . 10322 1 47 . THR . 10322 1 48 . VAL . 10322 1 49 . GLU . 10322 1 50 . GLY . 10322 1 51 . PRO . 10322 1 52 . SER . 10322 1 53 . GLU . 10322 1 54 . SER . 10322 1 55 . LYS . 10322 1 56 . ILE . 10322 1 57 . ASN . 10322 1 58 . CYS . 10322 1 59 . ARG . 10322 1 60 . ASP . 10322 1 61 . ASN . 10322 1 62 . LYS . 10322 1 63 . ASP . 10322 1 64 . GLY . 10322 1 65 . SER . 10322 1 66 . CYS . 10322 1 67 . SER . 10322 1 68 . ALA . 10322 1 69 . GLU . 10322 1 70 . TYR . 10322 1 71 . ILE . 10322 1 72 . PRO . 10322 1 73 . PHE . 10322 1 74 . ALA . 10322 1 75 . PRO . 10322 1 76 . GLY . 10322 1 77 . ASP . 10322 1 78 . TYR . 10322 1 79 . ASP . 10322 1 80 . VAL . 10322 1 81 . ASN . 10322 1 82 . ILE . 10322 1 83 . THR . 10322 1 84 . TYR . 10322 1 85 . GLY . 10322 1 86 . GLY . 10322 1 87 . ALA . 10322 1 88 . HIS . 10322 1 89 . ILE . 10322 1 90 . PRO . 10322 1 91 . GLY . 10322 1 92 . SER . 10322 1 93 . PRO . 10322 1 94 . PHE . 10322 1 95 . ARG . 10322 1 96 . VAL . 10322 1 97 . PRO . 10322 1 98 . VAL . 10322 1 99 . LYS . 10322 1 100 . ASP . 10322 1 101 . VAL . 10322 1 102 . VAL . 10322 1 103 . ASP . 10322 1 104 . PRO . 10322 1 105 . SER . 10322 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 10322 1 . SER 2 2 10322 1 . SER 3 3 10322 1 . GLY 4 4 10322 1 . SER 5 5 10322 1 . SER 6 6 10322 1 . GLY 7 7 10322 1 . GLY 8 8 10322 1 . CYS 9 9 10322 1 . GLN 10 10 10322 1 . PRO 11 11 10322 1 . SER 12 12 10322 1 . ARG 13 13 10322 1 . VAL 14 14 10322 1 . GLN 15 15 10322 1 . ALA 16 16 10322 1 . GLN 17 17 10322 1 . GLY 18 18 10322 1 . PRO 19 19 10322 1 . GLY 20 20 10322 1 . LEU 21 21 10322 1 . LYS 22 22 10322 1 . GLU 23 23 10322 1 . ALA 24 24 10322 1 . PHE 25 25 10322 1 . THR 26 26 10322 1 . ASN 27 27 10322 1 . LYS 28 28 10322 1 . PRO 29 29 10322 1 . ASN 30 30 10322 1 . VAL 31 31 10322 1 . PHE 32 32 10322 1 . THR 33 33 10322 1 . VAL 34 34 10322 1 . VAL 35 35 10322 1 . THR 36 36 10322 1 . ARG 37 37 10322 1 . GLY 38 38 10322 1 . ALA 39 39 10322 1 . GLY 40 40 10322 1 . ILE 41 41 10322 1 . GLY 42 42 10322 1 . GLY 43 43 10322 1 . LEU 44 44 10322 1 . GLY 45 45 10322 1 . ILE 46 46 10322 1 . THR 47 47 10322 1 . VAL 48 48 10322 1 . GLU 49 49 10322 1 . GLY 50 50 10322 1 . PRO 51 51 10322 1 . SER 52 52 10322 1 . GLU 53 53 10322 1 . SER 54 54 10322 1 . LYS 55 55 10322 1 . ILE 56 56 10322 1 . ASN 57 57 10322 1 . CYS 58 58 10322 1 . ARG 59 59 10322 1 . ASP 60 60 10322 1 . ASN 61 61 10322 1 . LYS 62 62 10322 1 . ASP 63 63 10322 1 . GLY 64 64 10322 1 . SER 65 65 10322 1 . CYS 66 66 10322 1 . SER 67 67 10322 1 . ALA 68 68 10322 1 . GLU 69 69 10322 1 . TYR 70 70 10322 1 . ILE 71 71 10322 1 . PRO 72 72 10322 1 . PHE 73 73 10322 1 . ALA 74 74 10322 1 . PRO 75 75 10322 1 . GLY 76 76 10322 1 . ASP 77 77 10322 1 . TYR 78 78 10322 1 . ASP 79 79 10322 1 . VAL 80 80 10322 1 . ASN 81 81 10322 1 . ILE 82 82 10322 1 . THR 83 83 10322 1 . TYR 84 84 10322 1 . GLY 85 85 10322 1 . GLY 86 86 10322 1 . ALA 87 87 10322 1 . HIS 88 88 10322 1 . ILE 89 89 10322 1 . PRO 90 90 10322 1 . GLY 91 91 10322 1 . SER 92 92 10322 1 . PRO 93 93 10322 1 . PHE 94 94 10322 1 . ARG 95 95 10322 1 . VAL 96 96 10322 1 . PRO 97 97 10322 1 . VAL 98 98 10322 1 . LYS 99 99 10322 1 . ASP 100 100 10322 1 . VAL 101 101 10322 1 . VAL 102 102 10322 1 . ASP 103 103 10322 1 . PRO 104 104 10322 1 . SER 105 105 10322 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 10322 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10322 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 10322 _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 . . P060123-12 . . . . . . 10322 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10322 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Filamin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.18 . . mM . . . . 10322 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10322 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10322 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10322 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10322 1 6 H2O . . . . . . solvent 90 . . % . . . . 10322 1 7 D2O . . . . . . solvent 10 . . % . . . . 10322 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 10322 _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 10322 1 pH 7.0 0.05 pH 10322 1 pressure 1 0.001 atm 10322 1 temperature 298 0.1 K 10322 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10322 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10322 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10322 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10322 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10322 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10322 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10322 _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.' . . 10322 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10322 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10322 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9742 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10322 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10322 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10322 _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.' . . 10322 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10322 5 'structure solution' 10322 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 10322 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10322 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10322 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10322 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10322 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10322 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10322 _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 . . . . . . . . . 10322 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10322 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10322 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 10322 _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 10322 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10322 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 1 1 GLY HA2 H 1 3.815 0.030 . 2 . . . . 1 GLY HA2 . 10322 1 2 . 1 1 1 1 GLY CA C 13 43.689 0.300 . 1 . . . . 1 GLY CA . 10322 1 3 . 1 1 7 7 GLY HA2 H 1 3.971 0.030 . 1 . . . . 7 GLY HA2 . 10322 1 4 . 1 1 7 7 GLY HA3 H 1 3.971 0.030 . 1 . . . . 7 GLY HA3 . 10322 1 5 . 1 1 7 7 GLY C C 13 174.664 0.300 . 1 . . . . 7 GLY C . 10322 1 6 . 1 1 7 7 GLY CA C 13 45.378 0.300 . 1 . . . . 7 GLY CA . 10322 1 7 . 1 1 8 8 GLY H H 1 8.270 0.030 . 1 . . . . 8 GLY H . 10322 1 8 . 1 1 8 8 GLY HA2 H 1 3.977 0.030 . 1 . . . . 8 GLY HA2 . 10322 1 9 . 1 1 8 8 GLY HA3 H 1 3.977 0.030 . 1 . . . . 8 GLY HA3 . 10322 1 10 . 1 1 8 8 GLY C C 13 173.412 0.300 . 1 . . . . 8 GLY C . 10322 1 11 . 1 1 8 8 GLY CA C 13 45.254 0.300 . 1 . . . . 8 GLY CA . 10322 1 12 . 1 1 8 8 GLY N N 15 108.621 0.300 . 1 . . . . 8 GLY N . 10322 1 13 . 1 1 9 9 CYS H H 1 8.251 0.030 . 1 . . . . 9 CYS H . 10322 1 14 . 1 1 9 9 CYS HA H 1 4.675 0.030 . 1 . . . . 9 CYS HA . 10322 1 15 . 1 1 9 9 CYS HB2 H 1 2.750 0.030 . 2 . . . . 9 CYS HB2 . 10322 1 16 . 1 1 9 9 CYS HB3 H 1 2.976 0.030 . 2 . . . . 9 CYS HB3 . 10322 1 17 . 1 1 9 9 CYS C C 13 174.560 0.300 . 1 . . . . 9 CYS C . 10322 1 18 . 1 1 9 9 CYS CA C 13 58.725 0.300 . 1 . . . . 9 CYS CA . 10322 1 19 . 1 1 9 9 CYS CB C 13 28.496 0.300 . 1 . . . . 9 CYS CB . 10322 1 20 . 1 1 9 9 CYS N N 15 120.217 0.300 . 1 . . . . 9 CYS N . 10322 1 21 . 1 1 10 10 GLN H H 1 8.934 0.030 . 1 . . . . 10 GLN H . 10322 1 22 . 1 1 10 10 GLN HA H 1 4.934 0.030 . 1 . . . . 10 GLN HA . 10322 1 23 . 1 1 10 10 GLN HB2 H 1 1.853 0.030 . 2 . . . . 10 GLN HB2 . 10322 1 24 . 1 1 10 10 GLN HB3 H 1 1.951 0.030 . 2 . . . . 10 GLN HB3 . 10322 1 25 . 1 1 10 10 GLN HE21 H 1 7.496 0.030 . 2 . . . . 10 GLN HE21 . 10322 1 26 . 1 1 10 10 GLN HE22 H 1 6.747 0.030 . 2 . . . . 10 GLN HE22 . 10322 1 27 . 1 1 10 10 GLN HG2 H 1 2.237 0.030 . 1 . . . . 10 GLN HG2 . 10322 1 28 . 1 1 10 10 GLN HG3 H 1 2.237 0.030 . 1 . . . . 10 GLN HG3 . 10322 1 29 . 1 1 10 10 GLN C C 13 173.509 0.300 . 1 . . . . 10 GLN C . 10322 1 30 . 1 1 10 10 GLN CA C 13 52.996 0.300 . 1 . . . . 10 GLN CA . 10322 1 31 . 1 1 10 10 GLN CB C 13 29.742 0.300 . 1 . . . . 10 GLN CB . 10322 1 32 . 1 1 10 10 GLN CG C 13 33.148 0.300 . 1 . . . . 10 GLN CG . 10322 1 33 . 1 1 10 10 GLN N N 15 125.611 0.300 . 1 . . . . 10 GLN N . 10322 1 34 . 1 1 10 10 GLN NE2 N 15 111.868 0.300 . 1 . . . . 10 GLN NE2 . 10322 1 35 . 1 1 11 11 PRO HA H 1 4.182 0.030 . 1 . . . . 11 PRO HA . 10322 1 36 . 1 1 11 11 PRO HB2 H 1 1.991 0.030 . 2 . . . . 11 PRO HB2 . 10322 1 37 . 1 1 11 11 PRO HB3 H 1 2.482 0.030 . 2 . . . . 11 PRO HB3 . 10322 1 38 . 1 1 11 11 PRO HD2 H 1 3.746 0.030 . 2 . . . . 11 PRO HD2 . 10322 1 39 . 1 1 11 11 PRO HD3 H 1 3.863 0.030 . 2 . . . . 11 PRO HD3 . 10322 1 40 . 1 1 11 11 PRO HG2 H 1 2.160 0.030 . 2 . . . . 11 PRO HG2 . 10322 1 41 . 1 1 11 11 PRO HG3 H 1 2.118 0.030 . 2 . . . . 11 PRO HG3 . 10322 1 42 . 1 1 11 11 PRO C C 13 176.828 0.300 . 1 . . . . 11 PRO C . 10322 1 43 . 1 1 11 11 PRO CA C 13 65.103 0.300 . 1 . . . . 11 PRO CA . 10322 1 44 . 1 1 11 11 PRO CB C 13 31.787 0.300 . 1 . . . . 11 PRO CB . 10322 1 45 . 1 1 11 11 PRO CD C 13 50.778 0.300 . 1 . . . . 11 PRO CD . 10322 1 46 . 1 1 11 11 PRO CG C 13 27.972 0.300 . 1 . . . . 11 PRO CG . 10322 1 47 . 1 1 12 12 SER H H 1 7.995 0.030 . 1 . . . . 12 SER H . 10322 1 48 . 1 1 12 12 SER HA H 1 4.193 0.030 . 1 . . . . 12 SER HA . 10322 1 49 . 1 1 12 12 SER HB2 H 1 3.982 0.030 . 2 . . . . 12 SER HB2 . 10322 1 50 . 1 1 12 12 SER HB3 H 1 3.872 0.030 . 2 . . . . 12 SER HB3 . 10322 1 51 . 1 1 12 12 SER C C 13 175.225 0.300 . 1 . . . . 12 SER C . 10322 1 52 . 1 1 12 12 SER CA C 13 59.982 0.300 . 1 . . . . 12 SER CA . 10322 1 53 . 1 1 12 12 SER CB C 13 62.607 0.300 . 1 . . . . 12 SER CB . 10322 1 54 . 1 1 12 12 SER N N 15 108.592 0.300 . 1 . . . . 12 SER N . 10322 1 55 . 1 1 13 13 ARG H H 1 7.947 0.030 . 1 . . . . 13 ARG H . 10322 1 56 . 1 1 13 13 ARG HA H 1 4.300 0.030 . 1 . . . . 13 ARG HA . 10322 1 57 . 1 1 13 13 ARG HB2 H 1 1.613 0.030 . 2 . . . . 13 ARG HB2 . 10322 1 58 . 1 1 13 13 ARG HB3 H 1 1.920 0.030 . 2 . . . . 13 ARG HB3 . 10322 1 59 . 1 1 13 13 ARG HD2 H 1 3.097 0.030 . 1 . . . . 13 ARG HD2 . 10322 1 60 . 1 1 13 13 ARG HD3 H 1 3.097 0.030 . 1 . . . . 13 ARG HD3 . 10322 1 61 . 1 1 13 13 ARG HG2 H 1 1.520 0.030 . 2 . . . . 13 ARG HG2 . 10322 1 62 . 1 1 13 13 ARG HG3 H 1 1.636 0.030 . 2 . . . . 13 ARG HG3 . 10322 1 63 . 1 1 13 13 ARG C C 13 175.970 0.300 . 1 . . . . 13 ARG C . 10322 1 64 . 1 1 13 13 ARG CA C 13 55.497 0.300 . 1 . . . . 13 ARG CA . 10322 1 65 . 1 1 13 13 ARG CB C 13 30.476 0.300 . 1 . . . . 13 ARG CB . 10322 1 66 . 1 1 13 13 ARG CD C 13 43.029 0.300 . 1 . . . . 13 ARG CD . 10322 1 67 . 1 1 13 13 ARG CG C 13 27.537 0.300 . 1 . . . . 13 ARG CG . 10322 1 68 . 1 1 13 13 ARG N N 15 120.094 0.300 . 1 . . . . 13 ARG N . 10322 1 69 . 1 1 14 14 VAL H H 1 7.430 0.030 . 1 . . . . 14 VAL H . 10322 1 70 . 1 1 14 14 VAL HA H 1 3.935 0.030 . 1 . . . . 14 VAL HA . 10322 1 71 . 1 1 14 14 VAL HB H 1 1.958 0.030 . 1 . . . . 14 VAL HB . 10322 1 72 . 1 1 14 14 VAL HG11 H 1 0.609 0.030 . 1 . . . . 14 VAL HG1 . 10322 1 73 . 1 1 14 14 VAL HG12 H 1 0.609 0.030 . 1 . . . . 14 VAL HG1 . 10322 1 74 . 1 1 14 14 VAL HG13 H 1 0.609 0.030 . 1 . . . . 14 VAL HG1 . 10322 1 75 . 1 1 14 14 VAL HG21 H 1 0.267 0.030 . 1 . . . . 14 VAL HG2 . 10322 1 76 . 1 1 14 14 VAL HG22 H 1 0.267 0.030 . 1 . . . . 14 VAL HG2 . 10322 1 77 . 1 1 14 14 VAL HG23 H 1 0.267 0.030 . 1 . . . . 14 VAL HG2 . 10322 1 78 . 1 1 14 14 VAL C C 13 175.058 0.300 . 1 . . . . 14 VAL C . 10322 1 79 . 1 1 14 14 VAL CA C 13 62.879 0.300 . 1 . . . . 14 VAL CA . 10322 1 80 . 1 1 14 14 VAL CB C 13 31.236 0.300 . 1 . . . . 14 VAL CB . 10322 1 81 . 1 1 14 14 VAL CG1 C 13 22.926 0.300 . 2 . . . . 14 VAL CG1 . 10322 1 82 . 1 1 14 14 VAL CG2 C 13 23.274 0.300 . 2 . . . . 14 VAL CG2 . 10322 1 83 . 1 1 14 14 VAL N N 15 122.342 0.300 . 1 . . . . 14 VAL N . 10322 1 84 . 1 1 15 15 GLN H H 1 8.126 0.030 . 1 . . . . 15 GLN H . 10322 1 85 . 1 1 15 15 GLN HA H 1 4.794 0.030 . 1 . . . . 15 GLN HA . 10322 1 86 . 1 1 15 15 GLN HB2 H 1 1.831 0.030 . 2 . . . . 15 GLN HB2 . 10322 1 87 . 1 1 15 15 GLN HB3 H 1 2.062 0.030 . 2 . . . . 15 GLN HB3 . 10322 1 88 . 1 1 15 15 GLN HE21 H 1 7.427 0.030 . 2 . . . . 15 GLN HE21 . 10322 1 89 . 1 1 15 15 GLN HE22 H 1 6.552 0.030 . 2 . . . . 15 GLN HE22 . 10322 1 90 . 1 1 15 15 GLN HG2 H 1 2.217 0.030 . 2 . . . . 15 GLN HG2 . 10322 1 91 . 1 1 15 15 GLN HG3 H 1 2.285 0.030 . 2 . . . . 15 GLN HG3 . 10322 1 92 . 1 1 15 15 GLN C C 13 174.124 0.300 . 1 . . . . 15 GLN C . 10322 1 93 . 1 1 15 15 GLN CA C 13 54.239 0.300 . 1 . . . . 15 GLN CA . 10322 1 94 . 1 1 15 15 GLN CB C 13 32.619 0.300 . 1 . . . . 15 GLN CB . 10322 1 95 . 1 1 15 15 GLN CG C 13 33.707 0.300 . 1 . . . . 15 GLN CG . 10322 1 96 . 1 1 15 15 GLN N N 15 124.581 0.300 . 1 . . . . 15 GLN N . 10322 1 97 . 1 1 15 15 GLN NE2 N 15 111.017 0.300 . 1 . . . . 15 GLN NE2 . 10322 1 98 . 1 1 16 16 ALA H H 1 8.658 0.030 . 1 . . . . 16 ALA H . 10322 1 99 . 1 1 16 16 ALA HA H 1 5.555 0.030 . 1 . . . . 16 ALA HA . 10322 1 100 . 1 1 16 16 ALA HB1 H 1 1.066 0.030 . 1 . . . . 16 ALA HB . 10322 1 101 . 1 1 16 16 ALA HB2 H 1 1.066 0.030 . 1 . . . . 16 ALA HB . 10322 1 102 . 1 1 16 16 ALA HB3 H 1 1.066 0.030 . 1 . . . . 16 ALA HB . 10322 1 103 . 1 1 16 16 ALA C C 13 175.235 0.300 . 1 . . . . 16 ALA C . 10322 1 104 . 1 1 16 16 ALA CA C 13 50.356 0.300 . 1 . . . . 16 ALA CA . 10322 1 105 . 1 1 16 16 ALA CB C 13 23.416 0.300 . 1 . . . . 16 ALA CB . 10322 1 106 . 1 1 16 16 ALA N N 15 126.980 0.300 . 1 . . . . 16 ALA N . 10322 1 107 . 1 1 17 17 GLN H H 1 8.611 0.030 . 1 . . . . 17 GLN H . 10322 1 108 . 1 1 17 17 GLN HA H 1 4.613 0.030 . 1 . . . . 17 GLN HA . 10322 1 109 . 1 1 17 17 GLN HB2 H 1 1.956 0.030 . 2 . . . . 17 GLN HB2 . 10322 1 110 . 1 1 17 17 GLN HB3 H 1 2.201 0.030 . 2 . . . . 17 GLN HB3 . 10322 1 111 . 1 1 17 17 GLN HE21 H 1 7.406 0.030 . 2 . . . . 17 GLN HE21 . 10322 1 112 . 1 1 17 17 GLN HE22 H 1 6.745 0.030 . 2 . . . . 17 GLN HE22 . 10322 1 113 . 1 1 17 17 GLN HG2 H 1 2.236 0.030 . 2 . . . . 17 GLN HG2 . 10322 1 114 . 1 1 17 17 GLN HG3 H 1 2.293 0.030 . 2 . . . . 17 GLN HG3 . 10322 1 115 . 1 1 17 17 GLN C C 13 174.246 0.300 . 1 . . . . 17 GLN C . 10322 1 116 . 1 1 17 17 GLN CA C 13 55.050 0.300 . 1 . . . . 17 GLN CA . 10322 1 117 . 1 1 17 17 GLN CB C 13 31.828 0.300 . 1 . . . . 17 GLN CB . 10322 1 118 . 1 1 17 17 GLN CG C 13 32.614 0.300 . 1 . . . . 17 GLN CG . 10322 1 119 . 1 1 17 17 GLN N N 15 116.661 0.300 . 1 . . . . 17 GLN N . 10322 1 120 . 1 1 17 17 GLN NE2 N 15 111.827 0.300 . 1 . . . . 17 GLN NE2 . 10322 1 121 . 1 1 18 18 GLY H H 1 8.484 0.030 . 1 . . . . 18 GLY H . 10322 1 122 . 1 1 18 18 GLY HA2 H 1 4.103 0.030 . 2 . . . . 18 GLY HA2 . 10322 1 123 . 1 1 18 18 GLY HA3 H 1 4.905 0.030 . 2 . . . . 18 GLY HA3 . 10322 1 124 . 1 1 18 18 GLY C C 13 174.132 0.300 . 1 . . . . 18 GLY C . 10322 1 125 . 1 1 18 18 GLY CA C 13 45.296 0.300 . 1 . . . . 18 GLY CA . 10322 1 126 . 1 1 18 18 GLY N N 15 110.616 0.300 . 1 . . . . 18 GLY N . 10322 1 127 . 1 1 19 19 PRO HA H 1 4.376 0.030 . 1 . . . . 19 PRO HA . 10322 1 128 . 1 1 19 19 PRO HB2 H 1 2.332 0.030 . 2 . . . . 19 PRO HB2 . 10322 1 129 . 1 1 19 19 PRO HB3 H 1 2.451 0.030 . 2 . . . . 19 PRO HB3 . 10322 1 130 . 1 1 19 19 PRO HD2 H 1 3.613 0.030 . 2 . . . . 19 PRO HD2 . 10322 1 131 . 1 1 19 19 PRO HD3 H 1 3.827 0.030 . 2 . . . . 19 PRO HD3 . 10322 1 132 . 1 1 19 19 PRO HG2 H 1 2.102 0.030 . 2 . . . . 19 PRO HG2 . 10322 1 133 . 1 1 19 19 PRO HG3 H 1 2.463 0.030 . 2 . . . . 19 PRO HG3 . 10322 1 134 . 1 1 19 19 PRO C C 13 179.347 0.300 . 1 . . . . 19 PRO C . 10322 1 135 . 1 1 19 19 PRO CA C 13 65.549 0.300 . 1 . . . . 19 PRO CA . 10322 1 136 . 1 1 19 19 PRO CB C 13 31.446 0.300 . 1 . . . . 19 PRO CB . 10322 1 137 . 1 1 19 19 PRO CD C 13 50.034 0.300 . 1 . . . . 19 PRO CD . 10322 1 138 . 1 1 19 19 PRO CG C 13 27.574 0.300 . 1 . . . . 19 PRO CG . 10322 1 139 . 1 1 20 20 GLY H H 1 9.258 0.030 . 1 . . . . 20 GLY H . 10322 1 140 . 1 1 20 20 GLY HA2 H 1 3.320 0.030 . 2 . . . . 20 GLY HA2 . 10322 1 141 . 1 1 20 20 GLY HA3 H 1 4.308 0.030 . 2 . . . . 20 GLY HA3 . 10322 1 142 . 1 1 20 20 GLY C C 13 172.687 0.300 . 1 . . . . 20 GLY C . 10322 1 143 . 1 1 20 20 GLY CA C 13 46.020 0.300 . 1 . . . . 20 GLY CA . 10322 1 144 . 1 1 20 20 GLY N N 15 103.620 0.300 . 1 . . . . 20 GLY N . 10322 1 145 . 1 1 21 21 LEU H H 1 7.471 0.030 . 1 . . . . 21 LEU H . 10322 1 146 . 1 1 21 21 LEU HA H 1 4.195 0.030 . 1 . . . . 21 LEU HA . 10322 1 147 . 1 1 21 21 LEU HB2 H 1 1.032 0.030 . 2 . . . . 21 LEU HB2 . 10322 1 148 . 1 1 21 21 LEU HB3 H 1 1.307 0.030 . 2 . . . . 21 LEU HB3 . 10322 1 149 . 1 1 21 21 LEU HD11 H 1 -0.405 0.030 . 1 . . . . 21 LEU HD1 . 10322 1 150 . 1 1 21 21 LEU HD12 H 1 -0.405 0.030 . 1 . . . . 21 LEU HD1 . 10322 1 151 . 1 1 21 21 LEU HD13 H 1 -0.405 0.030 . 1 . . . . 21 LEU HD1 . 10322 1 152 . 1 1 21 21 LEU HD21 H 1 -0.788 0.030 . 1 . . . . 21 LEU HD2 . 10322 1 153 . 1 1 21 21 LEU HD22 H 1 -0.788 0.030 . 1 . . . . 21 LEU HD2 . 10322 1 154 . 1 1 21 21 LEU HD23 H 1 -0.788 0.030 . 1 . . . . 21 LEU HD2 . 10322 1 155 . 1 1 21 21 LEU HG H 1 0.494 0.030 . 1 . . . . 21 LEU HG . 10322 1 156 . 1 1 21 21 LEU C C 13 175.556 0.300 . 1 . . . . 21 LEU C . 10322 1 157 . 1 1 21 21 LEU CA C 13 53.914 0.300 . 1 . . . . 21 LEU CA . 10322 1 158 . 1 1 21 21 LEU CB C 13 40.000 0.300 . 1 . . . . 21 LEU CB . 10322 1 159 . 1 1 21 21 LEU CD1 C 13 24.136 0.300 . 2 . . . . 21 LEU CD1 . 10322 1 160 . 1 1 21 21 LEU CD2 C 13 19.991 0.300 . 2 . . . . 21 LEU CD2 . 10322 1 161 . 1 1 21 21 LEU CG C 13 25.994 0.300 . 1 . . . . 21 LEU CG . 10322 1 162 . 1 1 21 21 LEU N N 15 116.020 0.300 . 1 . . . . 21 LEU N . 10322 1 163 . 1 1 22 22 LYS H H 1 7.838 0.030 . 1 . . . . 22 LYS H . 10322 1 164 . 1 1 22 22 LYS HA H 1 4.571 0.030 . 1 . . . . 22 LYS HA . 10322 1 165 . 1 1 22 22 LYS HB2 H 1 1.964 0.030 . 2 . . . . 22 LYS HB2 . 10322 1 166 . 1 1 22 22 LYS HB3 H 1 1.894 0.030 . 2 . . . . 22 LYS HB3 . 10322 1 167 . 1 1 22 22 LYS HD2 H 1 1.715 0.030 . 1 . . . . 22 LYS HD2 . 10322 1 168 . 1 1 22 22 LYS HD3 H 1 1.715 0.030 . 1 . . . . 22 LYS HD3 . 10322 1 169 . 1 1 22 22 LYS HE2 H 1 3.000 0.030 . 1 . . . . 22 LYS HE2 . 10322 1 170 . 1 1 22 22 LYS HE3 H 1 3.000 0.030 . 1 . . . . 22 LYS HE3 . 10322 1 171 . 1 1 22 22 LYS HG2 H 1 1.367 0.030 . 2 . . . . 22 LYS HG2 . 10322 1 172 . 1 1 22 22 LYS HG3 H 1 1.465 0.030 . 2 . . . . 22 LYS HG3 . 10322 1 173 . 1 1 22 22 LYS C C 13 175.209 0.300 . 1 . . . . 22 LYS C . 10322 1 174 . 1 1 22 22 LYS CA C 13 57.263 0.300 . 1 . . . . 22 LYS CA . 10322 1 175 . 1 1 22 22 LYS CB C 13 35.114 0.300 . 1 . . . . 22 LYS CB . 10322 1 176 . 1 1 22 22 LYS CD C 13 28.893 0.300 . 1 . . . . 22 LYS CD . 10322 1 177 . 1 1 22 22 LYS CE C 13 42.194 0.300 . 1 . . . . 22 LYS CE . 10322 1 178 . 1 1 22 22 LYS CG C 13 24.698 0.300 . 1 . . . . 22 LYS CG . 10322 1 179 . 1 1 22 22 LYS N N 15 120.039 0.300 . 1 . . . . 22 LYS N . 10322 1 180 . 1 1 23 23 GLU H H 1 7.993 0.030 . 1 . . . . 23 GLU H . 10322 1 181 . 1 1 23 23 GLU HA H 1 4.296 0.030 . 1 . . . . 23 GLU HA . 10322 1 182 . 1 1 23 23 GLU HB2 H 1 1.944 0.030 . 2 . . . . 23 GLU HB2 . 10322 1 183 . 1 1 23 23 GLU HB3 H 1 1.854 0.030 . 2 . . . . 23 GLU HB3 . 10322 1 184 . 1 1 23 23 GLU HG2 H 1 1.956 0.030 . 1 . . . . 23 GLU HG2 . 10322 1 185 . 1 1 23 23 GLU HG3 H 1 1.956 0.030 . 1 . . . . 23 GLU HG3 . 10322 1 186 . 1 1 23 23 GLU C C 13 172.552 0.300 . 1 . . . . 23 GLU C . 10322 1 187 . 1 1 23 23 GLU CA C 13 56.297 0.300 . 1 . . . . 23 GLU CA . 10322 1 188 . 1 1 23 23 GLU CB C 13 32.306 0.300 . 1 . . . . 23 GLU CB . 10322 1 189 . 1 1 23 23 GLU CG C 13 35.780 0.300 . 1 . . . . 23 GLU CG . 10322 1 190 . 1 1 23 23 GLU N N 15 117.180 0.300 . 1 . . . . 23 GLU N . 10322 1 191 . 1 1 24 24 ALA H H 1 7.809 0.030 . 1 . . . . 24 ALA H . 10322 1 192 . 1 1 24 24 ALA HA H 1 4.416 0.030 . 1 . . . . 24 ALA HA . 10322 1 193 . 1 1 24 24 ALA HB1 H 1 1.048 0.030 . 1 . . . . 24 ALA HB . 10322 1 194 . 1 1 24 24 ALA HB2 H 1 1.048 0.030 . 1 . . . . 24 ALA HB . 10322 1 195 . 1 1 24 24 ALA HB3 H 1 1.048 0.030 . 1 . . . . 24 ALA HB . 10322 1 196 . 1 1 24 24 ALA C C 13 174.763 0.300 . 1 . . . . 24 ALA C . 10322 1 197 . 1 1 24 24 ALA CA C 13 50.519 0.300 . 1 . . . . 24 ALA CA . 10322 1 198 . 1 1 24 24 ALA CB C 13 24.197 0.300 . 1 . . . . 24 ALA CB . 10322 1 199 . 1 1 24 24 ALA N N 15 124.660 0.300 . 1 . . . . 24 ALA N . 10322 1 200 . 1 1 25 25 PHE H H 1 8.043 0.030 . 1 . . . . 25 PHE H . 10322 1 201 . 1 1 25 25 PHE HA H 1 5.703 0.030 . 1 . . . . 25 PHE HA . 10322 1 202 . 1 1 25 25 PHE HB2 H 1 3.109 0.030 . 2 . . . . 25 PHE HB2 . 10322 1 203 . 1 1 25 25 PHE HB3 H 1 2.328 0.030 . 2 . . . . 25 PHE HB3 . 10322 1 204 . 1 1 25 25 PHE HD1 H 1 7.087 0.030 . 1 . . . . 25 PHE HD1 . 10322 1 205 . 1 1 25 25 PHE HD2 H 1 7.087 0.030 . 1 . . . . 25 PHE HD2 . 10322 1 206 . 1 1 25 25 PHE HE1 H 1 7.199 0.030 . 1 . . . . 25 PHE HE1 . 10322 1 207 . 1 1 25 25 PHE HE2 H 1 7.199 0.030 . 1 . . . . 25 PHE HE2 . 10322 1 208 . 1 1 25 25 PHE HZ H 1 7.174 0.030 . 1 . . . . 25 PHE HZ . 10322 1 209 . 1 1 25 25 PHE C C 13 176.018 0.300 . 1 . . . . 25 PHE C . 10322 1 210 . 1 1 25 25 PHE CA C 13 55.899 0.300 . 1 . . . . 25 PHE CA . 10322 1 211 . 1 1 25 25 PHE CB C 13 43.108 0.300 . 1 . . . . 25 PHE CB . 10322 1 212 . 1 1 25 25 PHE CD1 C 13 132.392 0.300 . 1 . . . . 25 PHE CD1 . 10322 1 213 . 1 1 25 25 PHE CD2 C 13 132.392 0.300 . 1 . . . . 25 PHE CD2 . 10322 1 214 . 1 1 25 25 PHE CE1 C 13 131.071 0.300 . 1 . . . . 25 PHE CE1 . 10322 1 215 . 1 1 25 25 PHE CE2 C 13 131.071 0.300 . 1 . . . . 25 PHE CE2 . 10322 1 216 . 1 1 25 25 PHE CZ C 13 129.701 0.300 . 1 . . . . 25 PHE CZ . 10322 1 217 . 1 1 25 25 PHE N N 15 115.728 0.300 . 1 . . . . 25 PHE N . 10322 1 218 . 1 1 26 26 THR H H 1 8.120 0.030 . 1 . . . . 26 THR H . 10322 1 219 . 1 1 26 26 THR HA H 1 3.543 0.030 . 1 . . . . 26 THR HA . 10322 1 220 . 1 1 26 26 THR HB H 1 3.915 0.030 . 1 . . . . 26 THR HB . 10322 1 221 . 1 1 26 26 THR HG21 H 1 0.662 0.030 . 1 . . . . 26 THR HG2 . 10322 1 222 . 1 1 26 26 THR HG22 H 1 0.662 0.030 . 1 . . . . 26 THR HG2 . 10322 1 223 . 1 1 26 26 THR HG23 H 1 0.662 0.030 . 1 . . . . 26 THR HG2 . 10322 1 224 . 1 1 26 26 THR C C 13 175.037 0.300 . 1 . . . . 26 THR C . 10322 1 225 . 1 1 26 26 THR CA C 13 61.497 0.300 . 1 . . . . 26 THR CA . 10322 1 226 . 1 1 26 26 THR CB C 13 68.865 0.300 . 1 . . . . 26 THR CB . 10322 1 227 . 1 1 26 26 THR CG2 C 13 23.498 0.300 . 1 . . . . 26 THR CG2 . 10322 1 228 . 1 1 26 26 THR N N 15 112.572 0.300 . 1 . . . . 26 THR N . 10322 1 229 . 1 1 27 27 ASN H H 1 8.502 0.030 . 1 . . . . 27 ASN H . 10322 1 230 . 1 1 27 27 ASN HA H 1 3.864 0.030 . 1 . . . . 27 ASN HA . 10322 1 231 . 1 1 27 27 ASN HB2 H 1 2.981 0.030 . 2 . . . . 27 ASN HB2 . 10322 1 232 . 1 1 27 27 ASN HB3 H 1 2.925 0.030 . 2 . . . . 27 ASN HB3 . 10322 1 233 . 1 1 27 27 ASN HD21 H 1 7.423 0.030 . 2 . . . . 27 ASN HD21 . 10322 1 234 . 1 1 27 27 ASN HD22 H 1 7.060 0.030 . 2 . . . . 27 ASN HD22 . 10322 1 235 . 1 1 27 27 ASN C C 13 172.731 0.300 . 1 . . . . 27 ASN C . 10322 1 236 . 1 1 27 27 ASN CA C 13 55.412 0.300 . 1 . . . . 27 ASN CA . 10322 1 237 . 1 1 27 27 ASN CB C 13 37.572 0.300 . 1 . . . . 27 ASN CB . 10322 1 238 . 1 1 27 27 ASN N N 15 110.875 0.300 . 1 . . . . 27 ASN N . 10322 1 239 . 1 1 27 27 ASN ND2 N 15 113.895 0.300 . 1 . . . . 27 ASN ND2 . 10322 1 240 . 1 1 28 28 LYS H H 1 7.348 0.030 . 1 . . . . 28 LYS H . 10322 1 241 . 1 1 28 28 LYS HA H 1 4.724 0.030 . 1 . . . . 28 LYS HA . 10322 1 242 . 1 1 28 28 LYS HB2 H 1 1.478 0.030 . 2 . . . . 28 LYS HB2 . 10322 1 243 . 1 1 28 28 LYS HB3 H 1 1.671 0.030 . 2 . . . . 28 LYS HB3 . 10322 1 244 . 1 1 28 28 LYS HD2 H 1 1.544 0.030 . 2 . . . . 28 LYS HD2 . 10322 1 245 . 1 1 28 28 LYS HD3 H 1 1.470 0.030 . 2 . . . . 28 LYS HD3 . 10322 1 246 . 1 1 28 28 LYS HE2 H 1 2.823 0.030 . 1 . . . . 28 LYS HE2 . 10322 1 247 . 1 1 28 28 LYS HE3 H 1 2.823 0.030 . 1 . . . . 28 LYS HE3 . 10322 1 248 . 1 1 28 28 LYS HG2 H 1 1.254 0.030 . 2 . . . . 28 LYS HG2 . 10322 1 249 . 1 1 28 28 LYS HG3 H 1 1.301 0.030 . 2 . . . . 28 LYS HG3 . 10322 1 250 . 1 1 28 28 LYS C C 13 171.608 0.300 . 1 . . . . 28 LYS C . 10322 1 251 . 1 1 28 28 LYS CA C 13 52.859 0.300 . 1 . . . . 28 LYS CA . 10322 1 252 . 1 1 28 28 LYS CB C 13 34.387 0.300 . 1 . . . . 28 LYS CB . 10322 1 253 . 1 1 28 28 LYS CD C 13 29.032 0.300 . 1 . . . . 28 LYS CD . 10322 1 254 . 1 1 28 28 LYS CE C 13 41.990 0.300 . 1 . . . . 28 LYS CE . 10322 1 255 . 1 1 28 28 LYS CG C 13 23.434 0.300 . 1 . . . . 28 LYS CG . 10322 1 256 . 1 1 28 28 LYS N N 15 118.224 0.300 . 1 . . . . 28 LYS N . 10322 1 257 . 1 1 29 29 PRO HA H 1 3.980 0.030 . 1 . . . . 29 PRO HA . 10322 1 258 . 1 1 29 29 PRO HB2 H 1 1.909 0.030 . 2 . . . . 29 PRO HB2 . 10322 1 259 . 1 1 29 29 PRO HB3 H 1 1.603 0.030 . 2 . . . . 29 PRO HB3 . 10322 1 260 . 1 1 29 29 PRO HD2 H 1 3.489 0.030 . 2 . . . . 29 PRO HD2 . 10322 1 261 . 1 1 29 29 PRO HD3 H 1 3.631 0.030 . 2 . . . . 29 PRO HD3 . 10322 1 262 . 1 1 29 29 PRO HG2 H 1 1.786 0.030 . 2 . . . . 29 PRO HG2 . 10322 1 263 . 1 1 29 29 PRO HG3 H 1 2.033 0.030 . 2 . . . . 29 PRO HG3 . 10322 1 264 . 1 1 29 29 PRO C C 13 175.936 0.300 . 1 . . . . 29 PRO C . 10322 1 265 . 1 1 29 29 PRO CA C 13 62.776 0.300 . 1 . . . . 29 PRO CA . 10322 1 266 . 1 1 29 29 PRO CB C 13 31.429 0.300 . 1 . . . . 29 PRO CB . 10322 1 267 . 1 1 29 29 PRO CD C 13 49.968 0.300 . 1 . . . . 29 PRO CD . 10322 1 268 . 1 1 29 29 PRO CG C 13 27.763 0.300 . 1 . . . . 29 PRO CG . 10322 1 269 . 1 1 30 30 ASN H H 1 7.964 0.030 . 1 . . . . 30 ASN H . 10322 1 270 . 1 1 30 30 ASN HA H 1 5.203 0.030 . 1 . . . . 30 ASN HA . 10322 1 271 . 1 1 30 30 ASN HB2 H 1 1.680 0.030 . 2 . . . . 30 ASN HB2 . 10322 1 272 . 1 1 30 30 ASN HB3 H 1 1.899 0.030 . 2 . . . . 30 ASN HB3 . 10322 1 273 . 1 1 30 30 ASN HD21 H 1 6.810 0.030 . 2 . . . . 30 ASN HD21 . 10322 1 274 . 1 1 30 30 ASN HD22 H 1 7.690 0.030 . 2 . . . . 30 ASN HD22 . 10322 1 275 . 1 1 30 30 ASN C C 13 174.564 0.300 . 1 . . . . 30 ASN C . 10322 1 276 . 1 1 30 30 ASN CA C 13 52.412 0.300 . 1 . . . . 30 ASN CA . 10322 1 277 . 1 1 30 30 ASN CB C 13 40.428 0.300 . 1 . . . . 30 ASN CB . 10322 1 278 . 1 1 30 30 ASN N N 15 124.312 0.300 . 1 . . . . 30 ASN N . 10322 1 279 . 1 1 30 30 ASN ND2 N 15 122.788 0.300 . 1 . . . . 30 ASN ND2 . 10322 1 280 . 1 1 31 31 VAL H H 1 8.949 0.030 . 1 . . . . 31 VAL H . 10322 1 281 . 1 1 31 31 VAL HA H 1 5.309 0.030 . 1 . . . . 31 VAL HA . 10322 1 282 . 1 1 31 31 VAL HB H 1 2.314 0.030 . 1 . . . . 31 VAL HB . 10322 1 283 . 1 1 31 31 VAL HG11 H 1 0.842 0.030 . 1 . . . . 31 VAL HG1 . 10322 1 284 . 1 1 31 31 VAL HG12 H 1 0.842 0.030 . 1 . . . . 31 VAL HG1 . 10322 1 285 . 1 1 31 31 VAL HG13 H 1 0.842 0.030 . 1 . . . . 31 VAL HG1 . 10322 1 286 . 1 1 31 31 VAL HG21 H 1 0.917 0.030 . 1 . . . . 31 VAL HG2 . 10322 1 287 . 1 1 31 31 VAL HG22 H 1 0.917 0.030 . 1 . . . . 31 VAL HG2 . 10322 1 288 . 1 1 31 31 VAL HG23 H 1 0.917 0.030 . 1 . . . . 31 VAL HG2 . 10322 1 289 . 1 1 31 31 VAL C C 13 176.023 0.300 . 1 . . . . 31 VAL C . 10322 1 290 . 1 1 31 31 VAL CA C 13 60.751 0.300 . 1 . . . . 31 VAL CA . 10322 1 291 . 1 1 31 31 VAL CB C 13 34.942 0.300 . 1 . . . . 31 VAL CB . 10322 1 292 . 1 1 31 31 VAL CG1 C 13 21.171 0.300 . 2 . . . . 31 VAL CG1 . 10322 1 293 . 1 1 31 31 VAL CG2 C 13 18.872 0.300 . 2 . . . . 31 VAL CG2 . 10322 1 294 . 1 1 31 31 VAL N N 15 117.123 0.300 . 1 . . . . 31 VAL N . 10322 1 295 . 1 1 32 32 PHE H H 1 8.281 0.030 . 1 . . . . 32 PHE H . 10322 1 296 . 1 1 32 32 PHE HA H 1 5.087 0.030 . 1 . . . . 32 PHE HA . 10322 1 297 . 1 1 32 32 PHE HB2 H 1 2.731 0.030 . 2 . . . . 32 PHE HB2 . 10322 1 298 . 1 1 32 32 PHE HB3 H 1 3.002 0.030 . 2 . . . . 32 PHE HB3 . 10322 1 299 . 1 1 32 32 PHE HD1 H 1 6.636 0.030 . 1 . . . . 32 PHE HD1 . 10322 1 300 . 1 1 32 32 PHE HD2 H 1 6.636 0.030 . 1 . . . . 32 PHE HD2 . 10322 1 301 . 1 1 32 32 PHE HE1 H 1 6.837 0.030 . 1 . . . . 32 PHE HE1 . 10322 1 302 . 1 1 32 32 PHE HE2 H 1 6.837 0.030 . 1 . . . . 32 PHE HE2 . 10322 1 303 . 1 1 32 32 PHE HZ H 1 6.684 0.030 . 1 . . . . 32 PHE HZ . 10322 1 304 . 1 1 32 32 PHE C C 13 172.481 0.300 . 1 . . . . 32 PHE C . 10322 1 305 . 1 1 32 32 PHE CA C 13 57.414 0.300 . 1 . . . . 32 PHE CA . 10322 1 306 . 1 1 32 32 PHE CB C 13 39.676 0.300 . 1 . . . . 32 PHE CB . 10322 1 307 . 1 1 32 32 PHE CD1 C 13 132.094 0.300 . 1 . . . . 32 PHE CD1 . 10322 1 308 . 1 1 32 32 PHE CD2 C 13 132.094 0.300 . 1 . . . . 32 PHE CD2 . 10322 1 309 . 1 1 32 32 PHE CE1 C 13 130.454 0.300 . 1 . . . . 32 PHE CE1 . 10322 1 310 . 1 1 32 32 PHE CE2 C 13 130.454 0.300 . 1 . . . . 32 PHE CE2 . 10322 1 311 . 1 1 32 32 PHE CZ C 13 128.583 0.300 . 1 . . . . 32 PHE CZ . 10322 1 312 . 1 1 32 32 PHE N N 15 114.135 0.300 . 1 . . . . 32 PHE N . 10322 1 313 . 1 1 33 33 THR H H 1 9.143 0.030 . 1 . . . . 33 THR H . 10322 1 314 . 1 1 33 33 THR HA H 1 5.257 0.030 . 1 . . . . 33 THR HA . 10322 1 315 . 1 1 33 33 THR HB H 1 4.051 0.030 . 1 . . . . 33 THR HB . 10322 1 316 . 1 1 33 33 THR HG21 H 1 1.188 0.030 . 1 . . . . 33 THR HG2 . 10322 1 317 . 1 1 33 33 THR HG22 H 1 1.188 0.030 . 1 . . . . 33 THR HG2 . 10322 1 318 . 1 1 33 33 THR HG23 H 1 1.188 0.030 . 1 . . . . 33 THR HG2 . 10322 1 319 . 1 1 33 33 THR C C 13 173.698 0.300 . 1 . . . . 33 THR C . 10322 1 320 . 1 1 33 33 THR CA C 13 61.021 0.300 . 1 . . . . 33 THR CA . 10322 1 321 . 1 1 33 33 THR CB C 13 72.149 0.300 . 1 . . . . 33 THR CB . 10322 1 322 . 1 1 33 33 THR CG2 C 13 21.701 0.300 . 1 . . . . 33 THR CG2 . 10322 1 323 . 1 1 33 33 THR N N 15 114.336 0.300 . 1 . . . . 33 THR N . 10322 1 324 . 1 1 34 34 VAL H H 1 9.027 0.030 . 1 . . . . 34 VAL H . 10322 1 325 . 1 1 34 34 VAL HA H 1 4.821 0.030 . 1 . . . . 34 VAL HA . 10322 1 326 . 1 1 34 34 VAL HB H 1 1.904 0.030 . 1 . . . . 34 VAL HB . 10322 1 327 . 1 1 34 34 VAL HG11 H 1 0.759 0.030 . 1 . . . . 34 VAL HG1 . 10322 1 328 . 1 1 34 34 VAL HG12 H 1 0.759 0.030 . 1 . . . . 34 VAL HG1 . 10322 1 329 . 1 1 34 34 VAL HG13 H 1 0.759 0.030 . 1 . . . . 34 VAL HG1 . 10322 1 330 . 1 1 34 34 VAL HG21 H 1 1.017 0.030 . 1 . . . . 34 VAL HG2 . 10322 1 331 . 1 1 34 34 VAL HG22 H 1 1.017 0.030 . 1 . . . . 34 VAL HG2 . 10322 1 332 . 1 1 34 34 VAL HG23 H 1 1.017 0.030 . 1 . . . . 34 VAL HG2 . 10322 1 333 . 1 1 34 34 VAL C C 13 174.629 0.300 . 1 . . . . 34 VAL C . 10322 1 334 . 1 1 34 34 VAL CA C 13 61.100 0.300 . 1 . . . . 34 VAL CA . 10322 1 335 . 1 1 34 34 VAL CB C 13 34.125 0.300 . 1 . . . . 34 VAL CB . 10322 1 336 . 1 1 34 34 VAL CG1 C 13 22.524 0.300 . 2 . . . . 34 VAL CG1 . 10322 1 337 . 1 1 34 34 VAL CG2 C 13 21.570 0.300 . 2 . . . . 34 VAL CG2 . 10322 1 338 . 1 1 34 34 VAL N N 15 123.775 0.300 . 1 . . . . 34 VAL N . 10322 1 339 . 1 1 35 35 VAL H H 1 9.347 0.030 . 1 . . . . 35 VAL H . 10322 1 340 . 1 1 35 35 VAL HA H 1 4.457 0.030 . 1 . . . . 35 VAL HA . 10322 1 341 . 1 1 35 35 VAL HB H 1 2.074 0.030 . 1 . . . . 35 VAL HB . 10322 1 342 . 1 1 35 35 VAL HG11 H 1 1.079 0.030 . 1 . . . . 35 VAL HG1 . 10322 1 343 . 1 1 35 35 VAL HG12 H 1 1.079 0.030 . 1 . . . . 35 VAL HG1 . 10322 1 344 . 1 1 35 35 VAL HG13 H 1 1.079 0.030 . 1 . . . . 35 VAL HG1 . 10322 1 345 . 1 1 35 35 VAL HG21 H 1 0.940 0.030 . 1 . . . . 35 VAL HG2 . 10322 1 346 . 1 1 35 35 VAL HG22 H 1 0.940 0.030 . 1 . . . . 35 VAL HG2 . 10322 1 347 . 1 1 35 35 VAL HG23 H 1 0.940 0.030 . 1 . . . . 35 VAL HG2 . 10322 1 348 . 1 1 35 35 VAL C C 13 175.514 0.300 . 1 . . . . 35 VAL C . 10322 1 349 . 1 1 35 35 VAL CA C 13 62.289 0.300 . 1 . . . . 35 VAL CA . 10322 1 350 . 1 1 35 35 VAL CB C 13 33.748 0.300 . 1 . . . . 35 VAL CB . 10322 1 351 . 1 1 35 35 VAL CG1 C 13 21.504 0.300 . 2 . . . . 35 VAL CG1 . 10322 1 352 . 1 1 35 35 VAL CG2 C 13 21.126 0.300 . 2 . . . . 35 VAL CG2 . 10322 1 353 . 1 1 35 35 VAL N N 15 128.256 0.300 . 1 . . . . 35 VAL N . 10322 1 354 . 1 1 36 36 THR H H 1 8.519 0.030 . 1 . . . . 36 THR H . 10322 1 355 . 1 1 36 36 THR HA H 1 4.096 0.030 . 1 . . . . 36 THR HA . 10322 1 356 . 1 1 36 36 THR HB H 1 4.179 0.030 . 1 . . . . 36 THR HB . 10322 1 357 . 1 1 36 36 THR HG21 H 1 0.796 0.030 . 1 . . . . 36 THR HG2 . 10322 1 358 . 1 1 36 36 THR HG22 H 1 0.796 0.030 . 1 . . . . 36 THR HG2 . 10322 1 359 . 1 1 36 36 THR HG23 H 1 0.796 0.030 . 1 . . . . 36 THR HG2 . 10322 1 360 . 1 1 36 36 THR C C 13 174.782 0.300 . 1 . . . . 36 THR C . 10322 1 361 . 1 1 36 36 THR CA C 13 60.822 0.300 . 1 . . . . 36 THR CA . 10322 1 362 . 1 1 36 36 THR CB C 13 68.635 0.300 . 1 . . . . 36 THR CB . 10322 1 363 . 1 1 36 36 THR CG2 C 13 21.903 0.300 . 1 . . . . 36 THR CG2 . 10322 1 364 . 1 1 36 36 THR N N 15 115.093 0.300 . 1 . . . . 36 THR N . 10322 1 365 . 1 1 37 37 ARG H H 1 7.314 0.030 . 1 . . . . 37 ARG H . 10322 1 366 . 1 1 37 37 ARG HA H 1 4.120 0.030 . 1 . . . . 37 ARG HA . 10322 1 367 . 1 1 37 37 ARG HB2 H 1 1.773 0.030 . 2 . . . . 37 ARG HB2 . 10322 1 368 . 1 1 37 37 ARG HB3 H 1 1.828 0.030 . 2 . . . . 37 ARG HB3 . 10322 1 369 . 1 1 37 37 ARG HD2 H 1 3.149 0.030 . 2 . . . . 37 ARG HD2 . 10322 1 370 . 1 1 37 37 ARG HD3 H 1 3.317 0.030 . 2 . . . . 37 ARG HD3 . 10322 1 371 . 1 1 37 37 ARG HG2 H 1 1.665 0.030 . 2 . . . . 37 ARG HG2 . 10322 1 372 . 1 1 37 37 ARG HG3 H 1 1.771 0.030 . 2 . . . . 37 ARG HG3 . 10322 1 373 . 1 1 37 37 ARG C C 13 176.713 0.300 . 1 . . . . 37 ARG C . 10322 1 374 . 1 1 37 37 ARG CA C 13 58.038 0.300 . 1 . . . . 37 ARG CA . 10322 1 375 . 1 1 37 37 ARG CB C 13 30.559 0.300 . 1 . . . . 37 ARG CB . 10322 1 376 . 1 1 37 37 ARG CD C 13 43.392 0.300 . 1 . . . . 37 ARG CD . 10322 1 377 . 1 1 37 37 ARG CG C 13 28.238 0.300 . 1 . . . . 37 ARG CG . 10322 1 378 . 1 1 37 37 ARG N N 15 122.948 0.300 . 1 . . . . 37 ARG N . 10322 1 379 . 1 1 38 38 GLY HA2 H 1 3.853 0.030 . 2 . . . . 38 GLY HA2 . 10322 1 380 . 1 1 38 38 GLY HA3 H 1 4.070 0.030 . 2 . . . . 38 GLY HA3 . 10322 1 381 . 1 1 38 38 GLY C C 13 174.354 0.300 . 1 . . . . 38 GLY C . 10322 1 382 . 1 1 38 38 GLY CA C 13 45.510 0.300 . 1 . . . . 38 GLY CA . 10322 1 383 . 1 1 39 39 ALA H H 1 7.926 0.030 . 1 . . . . 39 ALA H . 10322 1 384 . 1 1 39 39 ALA HA H 1 4.368 0.030 . 1 . . . . 39 ALA HA . 10322 1 385 . 1 1 39 39 ALA HB1 H 1 1.018 0.030 . 1 . . . . 39 ALA HB . 10322 1 386 . 1 1 39 39 ALA HB2 H 1 1.018 0.030 . 1 . . . . 39 ALA HB . 10322 1 387 . 1 1 39 39 ALA HB3 H 1 1.018 0.030 . 1 . . . . 39 ALA HB . 10322 1 388 . 1 1 39 39 ALA C C 13 176.797 0.300 . 1 . . . . 39 ALA C . 10322 1 389 . 1 1 39 39 ALA CA C 13 51.991 0.300 . 1 . . . . 39 ALA CA . 10322 1 390 . 1 1 39 39 ALA CB C 13 21.148 0.300 . 1 . . . . 39 ALA CB . 10322 1 391 . 1 1 39 39 ALA N N 15 121.579 0.300 . 1 . . . . 39 ALA N . 10322 1 392 . 1 1 40 40 GLY H H 1 8.290 0.030 . 1 . . . . 40 GLY H . 10322 1 393 . 1 1 40 40 GLY HA2 H 1 3.759 0.030 . 2 . . . . 40 GLY HA2 . 10322 1 394 . 1 1 40 40 GLY HA3 H 1 4.296 0.030 . 2 . . . . 40 GLY HA3 . 10322 1 395 . 1 1 40 40 GLY C C 13 174.782 0.300 . 1 . . . . 40 GLY C . 10322 1 396 . 1 1 40 40 GLY CA C 13 44.615 0.300 . 1 . . . . 40 GLY CA . 10322 1 397 . 1 1 40 40 GLY N N 15 107.262 0.300 . 1 . . . . 40 GLY N . 10322 1 398 . 1 1 41 41 ILE H H 1 8.505 0.030 . 1 . . . . 41 ILE H . 10322 1 399 . 1 1 41 41 ILE HA H 1 4.212 0.030 . 1 . . . . 41 ILE HA . 10322 1 400 . 1 1 41 41 ILE HB H 1 1.760 0.030 . 1 . . . . 41 ILE HB . 10322 1 401 . 1 1 41 41 ILE HD11 H 1 0.792 0.030 . 1 . . . . 41 ILE HD1 . 10322 1 402 . 1 1 41 41 ILE HD12 H 1 0.792 0.030 . 1 . . . . 41 ILE HD1 . 10322 1 403 . 1 1 41 41 ILE HD13 H 1 0.792 0.030 . 1 . . . . 41 ILE HD1 . 10322 1 404 . 1 1 41 41 ILE HG12 H 1 1.143 0.030 . 2 . . . . 41 ILE HG12 . 10322 1 405 . 1 1 41 41 ILE HG13 H 1 1.433 0.030 . 2 . . . . 41 ILE HG13 . 10322 1 406 . 1 1 41 41 ILE HG21 H 1 0.775 0.030 . 1 . . . . 41 ILE HG2 . 10322 1 407 . 1 1 41 41 ILE HG22 H 1 0.775 0.030 . 1 . . . . 41 ILE HG2 . 10322 1 408 . 1 1 41 41 ILE HG23 H 1 0.775 0.030 . 1 . . . . 41 ILE HG2 . 10322 1 409 . 1 1 41 41 ILE C C 13 175.026 0.300 . 1 . . . . 41 ILE C . 10322 1 410 . 1 1 41 41 ILE CA C 13 61.241 0.300 . 1 . . . . 41 ILE CA . 10322 1 411 . 1 1 41 41 ILE CB C 13 38.558 0.300 . 1 . . . . 41 ILE CB . 10322 1 412 . 1 1 41 41 ILE CD1 C 13 12.601 0.300 . 1 . . . . 41 ILE CD1 . 10322 1 413 . 1 1 41 41 ILE CG1 C 13 27.197 0.300 . 1 . . . . 41 ILE CG1 . 10322 1 414 . 1 1 41 41 ILE CG2 C 13 17.210 0.300 . 1 . . . . 41 ILE CG2 . 10322 1 415 . 1 1 41 41 ILE N N 15 122.717 0.300 . 1 . . . . 41 ILE N . 10322 1 416 . 1 1 42 42 GLY H H 1 7.646 0.030 . 1 . . . . 42 GLY H . 10322 1 417 . 1 1 42 42 GLY HA2 H 1 3.001 0.030 . 2 . . . . 42 GLY HA2 . 10322 1 418 . 1 1 42 42 GLY HA3 H 1 3.753 0.030 . 2 . . . . 42 GLY HA3 . 10322 1 419 . 1 1 42 42 GLY C C 13 171.316 0.300 . 1 . . . . 42 GLY C . 10322 1 420 . 1 1 42 42 GLY CA C 13 44.524 0.300 . 1 . . . . 42 GLY CA . 10322 1 421 . 1 1 42 42 GLY N N 15 112.635 0.300 . 1 . . . . 42 GLY N . 10322 1 422 . 1 1 43 43 GLY H H 1 7.942 0.030 . 1 . . . . 43 GLY H . 10322 1 423 . 1 1 43 43 GLY HA2 H 1 3.403 0.030 . 2 . . . . 43 GLY HA2 . 10322 1 424 . 1 1 43 43 GLY HA3 H 1 4.108 0.030 . 2 . . . . 43 GLY HA3 . 10322 1 425 . 1 1 43 43 GLY C C 13 173.893 0.300 . 1 . . . . 43 GLY C . 10322 1 426 . 1 1 43 43 GLY CA C 13 44.440 0.300 . 1 . . . . 43 GLY CA . 10322 1 427 . 1 1 43 43 GLY N N 15 105.255 0.300 . 1 . . . . 43 GLY N . 10322 1 428 . 1 1 44 44 LEU H H 1 8.835 0.030 . 1 . . . . 44 LEU H . 10322 1 429 . 1 1 44 44 LEU HA H 1 5.218 0.030 . 1 . . . . 44 LEU HA . 10322 1 430 . 1 1 44 44 LEU HB2 H 1 1.495 0.030 . 2 . . . . 44 LEU HB2 . 10322 1 431 . 1 1 44 44 LEU HB3 H 1 1.920 0.030 . 2 . . . . 44 LEU HB3 . 10322 1 432 . 1 1 44 44 LEU HD11 H 1 0.987 0.030 . 1 . . . . 44 LEU HD1 . 10322 1 433 . 1 1 44 44 LEU HD12 H 1 0.987 0.030 . 1 . . . . 44 LEU HD1 . 10322 1 434 . 1 1 44 44 LEU HD13 H 1 0.987 0.030 . 1 . . . . 44 LEU HD1 . 10322 1 435 . 1 1 44 44 LEU HD21 H 1 0.886 0.030 . 1 . . . . 44 LEU HD2 . 10322 1 436 . 1 1 44 44 LEU HD22 H 1 0.886 0.030 . 1 . . . . 44 LEU HD2 . 10322 1 437 . 1 1 44 44 LEU HD23 H 1 0.886 0.030 . 1 . . . . 44 LEU HD2 . 10322 1 438 . 1 1 44 44 LEU HG H 1 1.530 0.030 . 1 . . . . 44 LEU HG . 10322 1 439 . 1 1 44 44 LEU C C 13 176.000 0.300 . 1 . . . . 44 LEU C . 10322 1 440 . 1 1 44 44 LEU CA C 13 54.476 0.300 . 1 . . . . 44 LEU CA . 10322 1 441 . 1 1 44 44 LEU CB C 13 43.781 0.300 . 1 . . . . 44 LEU CB . 10322 1 442 . 1 1 44 44 LEU CD1 C 13 24.763 0.300 . 2 . . . . 44 LEU CD1 . 10322 1 443 . 1 1 44 44 LEU CD2 C 13 26.819 0.300 . 2 . . . . 44 LEU CD2 . 10322 1 444 . 1 1 44 44 LEU CG C 13 27.631 0.300 . 1 . . . . 44 LEU CG . 10322 1 445 . 1 1 44 44 LEU N N 15 129.357 0.300 . 1 . . . . 44 LEU N . 10322 1 446 . 1 1 45 45 GLY H H 1 9.232 0.030 . 1 . . . . 45 GLY H . 10322 1 447 . 1 1 45 45 GLY HA2 H 1 3.283 0.030 . 2 . . . . 45 GLY HA2 . 10322 1 448 . 1 1 45 45 GLY HA3 H 1 4.516 0.030 . 2 . . . . 45 GLY HA3 . 10322 1 449 . 1 1 45 45 GLY C C 13 171.909 0.300 . 1 . . . . 45 GLY C . 10322 1 450 . 1 1 45 45 GLY CA C 13 44.596 0.300 . 1 . . . . 45 GLY CA . 10322 1 451 . 1 1 45 45 GLY N N 15 117.439 0.300 . 1 . . . . 45 GLY N . 10322 1 452 . 1 1 46 46 ILE H H 1 8.173 0.030 . 1 . . . . 46 ILE H . 10322 1 453 . 1 1 46 46 ILE HA H 1 5.202 0.030 . 1 . . . . 46 ILE HA . 10322 1 454 . 1 1 46 46 ILE HB H 1 1.597 0.030 . 1 . . . . 46 ILE HB . 10322 1 455 . 1 1 46 46 ILE HD11 H 1 0.824 0.030 . 1 . . . . 46 ILE HD1 . 10322 1 456 . 1 1 46 46 ILE HD12 H 1 0.824 0.030 . 1 . . . . 46 ILE HD1 . 10322 1 457 . 1 1 46 46 ILE HD13 H 1 0.824 0.030 . 1 . . . . 46 ILE HD1 . 10322 1 458 . 1 1 46 46 ILE HG12 H 1 1.058 0.030 . 2 . . . . 46 ILE HG12 . 10322 1 459 . 1 1 46 46 ILE HG13 H 1 1.577 0.030 . 2 . . . . 46 ILE HG13 . 10322 1 460 . 1 1 46 46 ILE HG21 H 1 0.705 0.030 . 1 . . . . 46 ILE HG2 . 10322 1 461 . 1 1 46 46 ILE HG22 H 1 0.705 0.030 . 1 . . . . 46 ILE HG2 . 10322 1 462 . 1 1 46 46 ILE HG23 H 1 0.705 0.030 . 1 . . . . 46 ILE HG2 . 10322 1 463 . 1 1 46 46 ILE C C 13 175.440 0.300 . 1 . . . . 46 ILE C . 10322 1 464 . 1 1 46 46 ILE CA C 13 60.306 0.300 . 1 . . . . 46 ILE CA . 10322 1 465 . 1 1 46 46 ILE CB C 13 41.399 0.300 . 1 . . . . 46 ILE CB . 10322 1 466 . 1 1 46 46 ILE CD1 C 13 14.420 0.300 . 1 . . . . 46 ILE CD1 . 10322 1 467 . 1 1 46 46 ILE CG1 C 13 28.079 0.300 . 1 . . . . 46 ILE CG1 . 10322 1 468 . 1 1 46 46 ILE CG2 C 13 17.045 0.300 . 1 . . . . 46 ILE CG2 . 10322 1 469 . 1 1 46 46 ILE N N 15 124.065 0.300 . 1 . . . . 46 ILE N . 10322 1 470 . 1 1 47 47 THR H H 1 8.822 0.030 . 1 . . . . 47 THR H . 10322 1 471 . 1 1 47 47 THR HA H 1 4.594 0.030 . 1 . . . . 47 THR HA . 10322 1 472 . 1 1 47 47 THR HB H 1 4.199 0.030 . 1 . . . . 47 THR HB . 10322 1 473 . 1 1 47 47 THR HG21 H 1 1.103 0.030 . 1 . . . . 47 THR HG2 . 10322 1 474 . 1 1 47 47 THR HG22 H 1 1.103 0.030 . 1 . . . . 47 THR HG2 . 10322 1 475 . 1 1 47 47 THR HG23 H 1 1.103 0.030 . 1 . . . . 47 THR HG2 . 10322 1 476 . 1 1 47 47 THR C C 13 172.654 0.300 . 1 . . . . 47 THR C . 10322 1 477 . 1 1 47 47 THR CA C 13 59.620 0.300 . 1 . . . . 47 THR CA . 10322 1 478 . 1 1 47 47 THR CB C 13 72.197 0.300 . 1 . . . . 47 THR CB . 10322 1 479 . 1 1 47 47 THR CG2 C 13 22.410 0.300 . 1 . . . . 47 THR CG2 . 10322 1 480 . 1 1 47 47 THR N N 15 117.830 0.300 . 1 . . . . 47 THR N . 10322 1 481 . 1 1 48 48 VAL H H 1 8.679 0.030 . 1 . . . . 48 VAL H . 10322 1 482 . 1 1 48 48 VAL HA H 1 4.998 0.030 . 1 . . . . 48 VAL HA . 10322 1 483 . 1 1 48 48 VAL HB H 1 1.682 0.030 . 1 . . . . 48 VAL HB . 10322 1 484 . 1 1 48 48 VAL HG11 H 1 0.622 0.030 . 1 . . . . 48 VAL HG1 . 10322 1 485 . 1 1 48 48 VAL HG12 H 1 0.622 0.030 . 1 . . . . 48 VAL HG1 . 10322 1 486 . 1 1 48 48 VAL HG13 H 1 0.622 0.030 . 1 . . . . 48 VAL HG1 . 10322 1 487 . 1 1 48 48 VAL HG21 H 1 0.375 0.030 . 1 . . . . 48 VAL HG2 . 10322 1 488 . 1 1 48 48 VAL HG22 H 1 0.375 0.030 . 1 . . . . 48 VAL HG2 . 10322 1 489 . 1 1 48 48 VAL HG23 H 1 0.375 0.030 . 1 . . . . 48 VAL HG2 . 10322 1 490 . 1 1 48 48 VAL C C 13 176.215 0.300 . 1 . . . . 48 VAL C . 10322 1 491 . 1 1 48 48 VAL CA C 13 61.363 0.300 . 1 . . . . 48 VAL CA . 10322 1 492 . 1 1 48 48 VAL CB C 13 34.311 0.300 . 1 . . . . 48 VAL CB . 10322 1 493 . 1 1 48 48 VAL CG1 C 13 21.628 0.300 . 2 . . . . 48 VAL CG1 . 10322 1 494 . 1 1 48 48 VAL CG2 C 13 20.147 0.300 . 2 . . . . 48 VAL CG2 . 10322 1 495 . 1 1 48 48 VAL N N 15 121.901 0.300 . 1 . . . . 48 VAL N . 10322 1 496 . 1 1 49 49 GLU H H 1 9.412 0.030 . 1 . . . . 49 GLU H . 10322 1 497 . 1 1 49 49 GLU HA H 1 4.998 0.030 . 1 . . . . 49 GLU HA . 10322 1 498 . 1 1 49 49 GLU HB2 H 1 1.893 0.030 . 2 . . . . 49 GLU HB2 . 10322 1 499 . 1 1 49 49 GLU HB3 H 1 2.071 0.030 . 2 . . . . 49 GLU HB3 . 10322 1 500 . 1 1 49 49 GLU HG2 H 1 2.139 0.030 . 1 . . . . 49 GLU HG2 . 10322 1 501 . 1 1 49 49 GLU HG3 H 1 2.139 0.030 . 1 . . . . 49 GLU HG3 . 10322 1 502 . 1 1 49 49 GLU C C 13 175.089 0.300 . 1 . . . . 49 GLU C . 10322 1 503 . 1 1 49 49 GLU CA C 13 54.250 0.300 . 1 . . . . 49 GLU CA . 10322 1 504 . 1 1 49 49 GLU CB C 13 32.905 0.300 . 1 . . . . 49 GLU CB . 10322 1 505 . 1 1 49 49 GLU CG C 13 36.105 0.300 . 1 . . . . 49 GLU CG . 10322 1 506 . 1 1 49 49 GLU N N 15 129.773 0.300 . 1 . . . . 49 GLU N . 10322 1 507 . 1 1 50 50 GLY H H 1 8.419 0.030 . 1 . . . . 50 GLY H . 10322 1 508 . 1 1 50 50 GLY HA2 H 1 3.561 0.030 . 2 . . . . 50 GLY HA2 . 10322 1 509 . 1 1 50 50 GLY HA3 H 1 3.639 0.030 . 2 . . . . 50 GLY HA3 . 10322 1 510 . 1 1 50 50 GLY C C 13 171.902 0.300 . 1 . . . . 50 GLY C . 10322 1 511 . 1 1 50 50 GLY CA C 13 45.672 0.300 . 1 . . . . 50 GLY CA . 10322 1 512 . 1 1 50 50 GLY N N 15 110.028 0.300 . 1 . . . . 50 GLY N . 10322 1 513 . 1 1 51 51 PRO HA H 1 4.344 0.030 . 1 . . . . 51 PRO HA . 10322 1 514 . 1 1 51 51 PRO HB2 H 1 1.975 0.030 . 2 . . . . 51 PRO HB2 . 10322 1 515 . 1 1 51 51 PRO HB3 H 1 2.166 0.030 . 2 . . . . 51 PRO HB3 . 10322 1 516 . 1 1 51 51 PRO HD2 H 1 2.843 0.030 . 2 . . . . 51 PRO HD2 . 10322 1 517 . 1 1 51 51 PRO HD3 H 1 1.745 0.030 . 2 . . . . 51 PRO HD3 . 10322 1 518 . 1 1 51 51 PRO HG2 H 1 1.767 0.030 . 2 . . . . 51 PRO HG2 . 10322 1 519 . 1 1 51 51 PRO HG3 H 1 1.503 0.030 . 2 . . . . 51 PRO HG3 . 10322 1 520 . 1 1 51 51 PRO C C 13 175.820 0.300 . 1 . . . . 51 PRO C . 10322 1 521 . 1 1 51 51 PRO CA C 13 64.022 0.300 . 1 . . . . 51 PRO CA . 10322 1 522 . 1 1 51 51 PRO CB C 13 31.798 0.300 . 1 . . . . 51 PRO CB . 10322 1 523 . 1 1 51 51 PRO CD C 13 49.616 0.300 . 1 . . . . 51 PRO CD . 10322 1 524 . 1 1 51 51 PRO CG C 13 26.511 0.300 . 1 . . . . 51 PRO CG . 10322 1 525 . 1 1 52 52 SER H H 1 7.406 0.030 . 1 . . . . 52 SER H . 10322 1 526 . 1 1 52 52 SER HA H 1 4.719 0.030 . 1 . . . . 52 SER HA . 10322 1 527 . 1 1 52 52 SER HB2 H 1 4.099 0.030 . 2 . . . . 52 SER HB2 . 10322 1 528 . 1 1 52 52 SER HB3 H 1 3.952 0.030 . 2 . . . . 52 SER HB3 . 10322 1 529 . 1 1 52 52 SER C C 13 172.323 0.300 . 1 . . . . 52 SER C . 10322 1 530 . 1 1 52 52 SER CA C 13 57.601 0.300 . 1 . . . . 52 SER CA . 10322 1 531 . 1 1 52 52 SER CB C 13 66.709 0.300 . 1 . . . . 52 SER CB . 10322 1 532 . 1 1 52 52 SER N N 15 110.735 0.300 . 1 . . . . 52 SER N . 10322 1 533 . 1 1 53 53 GLU H H 1 8.962 0.030 . 1 . . . . 53 GLU H . 10322 1 534 . 1 1 53 53 GLU HA H 1 4.646 0.030 . 1 . . . . 53 GLU HA . 10322 1 535 . 1 1 53 53 GLU HB2 H 1 2.108 0.030 . 2 . . . . 53 GLU HB2 . 10322 1 536 . 1 1 53 53 GLU HB3 H 1 2.030 0.030 . 2 . . . . 53 GLU HB3 . 10322 1 537 . 1 1 53 53 GLU HG2 H 1 2.244 0.030 . 2 . . . . 53 GLU HG2 . 10322 1 538 . 1 1 53 53 GLU HG3 H 1 2.334 0.030 . 2 . . . . 53 GLU HG3 . 10322 1 539 . 1 1 53 53 GLU C C 13 175.327 0.300 . 1 . . . . 53 GLU C . 10322 1 540 . 1 1 53 53 GLU CA C 13 55.551 0.300 . 1 . . . . 53 GLU CA . 10322 1 541 . 1 1 53 53 GLU CB C 13 29.245 0.300 . 1 . . . . 53 GLU CB . 10322 1 542 . 1 1 53 53 GLU CG C 13 36.229 0.300 . 1 . . . . 53 GLU CG . 10322 1 543 . 1 1 53 53 GLU N N 15 122.124 0.300 . 1 . . . . 53 GLU N . 10322 1 544 . 1 1 54 54 SER H H 1 8.617 0.030 . 1 . . . . 54 SER H . 10322 1 545 . 1 1 54 54 SER HA H 1 4.802 0.030 . 1 . . . . 54 SER HA . 10322 1 546 . 1 1 54 54 SER HB2 H 1 3.365 0.030 . 2 . . . . 54 SER HB2 . 10322 1 547 . 1 1 54 54 SER HB3 H 1 3.453 0.030 . 2 . . . . 54 SER HB3 . 10322 1 548 . 1 1 54 54 SER C C 13 174.797 0.300 . 1 . . . . 54 SER C . 10322 1 549 . 1 1 54 54 SER CA C 13 60.349 0.300 . 1 . . . . 54 SER CA . 10322 1 550 . 1 1 54 54 SER CB C 13 64.587 0.300 . 1 . . . . 54 SER CB . 10322 1 551 . 1 1 54 54 SER N N 15 121.942 0.300 . 1 . . . . 54 SER N . 10322 1 552 . 1 1 55 55 LYS H H 1 8.141 0.030 . 1 . . . . 55 LYS H . 10322 1 553 . 1 1 55 55 LYS HA H 1 4.595 0.030 . 1 . . . . 55 LYS HA . 10322 1 554 . 1 1 55 55 LYS HB2 H 1 1.927 0.030 . 1 . . . . 55 LYS HB2 . 10322 1 555 . 1 1 55 55 LYS HB3 H 1 1.927 0.030 . 1 . . . . 55 LYS HB3 . 10322 1 556 . 1 1 55 55 LYS HD2 H 1 1.787 0.030 . 1 . . . . 55 LYS HD2 . 10322 1 557 . 1 1 55 55 LYS HD3 H 1 1.787 0.030 . 1 . . . . 55 LYS HD3 . 10322 1 558 . 1 1 55 55 LYS HE2 H 1 3.025 0.030 . 1 . . . . 55 LYS HE2 . 10322 1 559 . 1 1 55 55 LYS HE3 H 1 3.025 0.030 . 1 . . . . 55 LYS HE3 . 10322 1 560 . 1 1 55 55 LYS HG2 H 1 1.585 0.030 . 2 . . . . 55 LYS HG2 . 10322 1 561 . 1 1 55 55 LYS HG3 H 1 1.531 0.030 . 2 . . . . 55 LYS HG3 . 10322 1 562 . 1 1 55 55 LYS C C 13 176.341 0.300 . 1 . . . . 55 LYS C . 10322 1 563 . 1 1 55 55 LYS CA C 13 55.765 0.300 . 1 . . . . 55 LYS CA . 10322 1 564 . 1 1 55 55 LYS CB C 13 33.791 0.300 . 1 . . . . 55 LYS CB . 10322 1 565 . 1 1 55 55 LYS CD C 13 29.056 0.300 . 1 . . . . 55 LYS CD . 10322 1 566 . 1 1 55 55 LYS CE C 13 42.194 0.300 . 1 . . . . 55 LYS CE . 10322 1 567 . 1 1 55 55 LYS CG C 13 24.982 0.300 . 1 . . . . 55 LYS CG . 10322 1 568 . 1 1 55 55 LYS N N 15 124.881 0.300 . 1 . . . . 55 LYS N . 10322 1 569 . 1 1 56 56 ILE H H 1 8.799 0.030 . 1 . . . . 56 ILE H . 10322 1 570 . 1 1 56 56 ILE HA H 1 4.944 0.030 . 1 . . . . 56 ILE HA . 10322 1 571 . 1 1 56 56 ILE HB H 1 1.649 0.030 . 1 . . . . 56 ILE HB . 10322 1 572 . 1 1 56 56 ILE HD11 H 1 0.856 0.030 . 1 . . . . 56 ILE HD1 . 10322 1 573 . 1 1 56 56 ILE HD12 H 1 0.856 0.030 . 1 . . . . 56 ILE HD1 . 10322 1 574 . 1 1 56 56 ILE HD13 H 1 0.856 0.030 . 1 . . . . 56 ILE HD1 . 10322 1 575 . 1 1 56 56 ILE HG12 H 1 1.480 0.030 . 2 . . . . 56 ILE HG12 . 10322 1 576 . 1 1 56 56 ILE HG13 H 1 0.818 0.030 . 2 . . . . 56 ILE HG13 . 10322 1 577 . 1 1 56 56 ILE HG21 H 1 0.774 0.030 . 1 . . . . 56 ILE HG2 . 10322 1 578 . 1 1 56 56 ILE HG22 H 1 0.774 0.030 . 1 . . . . 56 ILE HG2 . 10322 1 579 . 1 1 56 56 ILE HG23 H 1 0.774 0.030 . 1 . . . . 56 ILE HG2 . 10322 1 580 . 1 1 56 56 ILE C C 13 174.875 0.300 . 1 . . . . 56 ILE C . 10322 1 581 . 1 1 56 56 ILE CA C 13 60.467 0.300 . 1 . . . . 56 ILE CA . 10322 1 582 . 1 1 56 56 ILE CB C 13 41.302 0.300 . 1 . . . . 56 ILE CB . 10322 1 583 . 1 1 56 56 ILE CD1 C 13 15.208 0.300 . 1 . . . . 56 ILE CD1 . 10322 1 584 . 1 1 56 56 ILE CG1 C 13 28.093 0.300 . 1 . . . . 56 ILE CG1 . 10322 1 585 . 1 1 56 56 ILE CG2 C 13 16.943 0.300 . 1 . . . . 56 ILE CG2 . 10322 1 586 . 1 1 56 56 ILE N N 15 126.405 0.300 . 1 . . . . 56 ILE N . 10322 1 587 . 1 1 57 57 ASN H H 1 8.919 0.030 . 1 . . . . 57 ASN H . 10322 1 588 . 1 1 57 57 ASN HA H 1 5.048 0.030 . 1 . . . . 57 ASN HA . 10322 1 589 . 1 1 57 57 ASN HB2 H 1 2.596 0.030 . 2 . . . . 57 ASN HB2 . 10322 1 590 . 1 1 57 57 ASN HB3 H 1 2.556 0.030 . 2 . . . . 57 ASN HB3 . 10322 1 591 . 1 1 57 57 ASN HD21 H 1 8.007 0.030 . 2 . . . . 57 ASN HD21 . 10322 1 592 . 1 1 57 57 ASN HD22 H 1 6.687 0.030 . 2 . . . . 57 ASN HD22 . 10322 1 593 . 1 1 57 57 ASN C C 13 173.646 0.300 . 1 . . . . 57 ASN C . 10322 1 594 . 1 1 57 57 ASN CA C 13 52.420 0.300 . 1 . . . . 57 ASN CA . 10322 1 595 . 1 1 57 57 ASN CB C 13 42.194 0.300 . 1 . . . . 57 ASN CB . 10322 1 596 . 1 1 57 57 ASN N N 15 124.818 0.300 . 1 . . . . 57 ASN N . 10322 1 597 . 1 1 57 57 ASN ND2 N 15 113.972 0.300 . 1 . . . . 57 ASN ND2 . 10322 1 598 . 1 1 58 58 CYS H H 1 8.772 0.030 . 1 . . . . 58 CYS H . 10322 1 599 . 1 1 58 58 CYS HA H 1 4.912 0.030 . 1 . . . . 58 CYS HA . 10322 1 600 . 1 1 58 58 CYS HB2 H 1 2.671 0.030 . 2 . . . . 58 CYS HB2 . 10322 1 601 . 1 1 58 58 CYS HB3 H 1 2.566 0.030 . 2 . . . . 58 CYS HB3 . 10322 1 602 . 1 1 58 58 CYS C C 13 172.766 0.300 . 1 . . . . 58 CYS C . 10322 1 603 . 1 1 58 58 CYS CA C 13 57.661 0.300 . 1 . . . . 58 CYS CA . 10322 1 604 . 1 1 58 58 CYS CB C 13 29.214 0.300 . 1 . . . . 58 CYS CB . 10322 1 605 . 1 1 58 58 CYS N N 15 121.951 0.300 . 1 . . . . 58 CYS N . 10322 1 606 . 1 1 59 59 ARG H H 1 8.827 0.030 . 1 . . . . 59 ARG H . 10322 1 607 . 1 1 59 59 ARG HA H 1 4.577 0.030 . 1 . . . . 59 ARG HA . 10322 1 608 . 1 1 59 59 ARG HB2 H 1 1.757 0.030 . 2 . . . . 59 ARG HB2 . 10322 1 609 . 1 1 59 59 ARG HB3 H 1 1.628 0.030 . 2 . . . . 59 ARG HB3 . 10322 1 610 . 1 1 59 59 ARG HD2 H 1 3.134 0.030 . 1 . . . . 59 ARG HD2 . 10322 1 611 . 1 1 59 59 ARG HD3 H 1 3.134 0.030 . 1 . . . . 59 ARG HD3 . 10322 1 612 . 1 1 59 59 ARG HG2 H 1 1.341 0.030 . 2 . . . . 59 ARG HG2 . 10322 1 613 . 1 1 59 59 ARG HG3 H 1 1.506 0.030 . 2 . . . . 59 ARG HG3 . 10322 1 614 . 1 1 59 59 ARG C C 13 174.072 0.300 . 1 . . . . 59 ARG C . 10322 1 615 . 1 1 59 59 ARG CA C 13 54.634 0.300 . 1 . . . . 59 ARG CA . 10322 1 616 . 1 1 59 59 ARG CB C 13 32.999 0.300 . 1 . . . . 59 ARG CB . 10322 1 617 . 1 1 59 59 ARG CD C 13 43.339 0.300 . 1 . . . . 59 ARG CD . 10322 1 618 . 1 1 59 59 ARG CG C 13 27.017 0.300 . 1 . . . . 59 ARG CG . 10322 1 619 . 1 1 59 59 ARG N N 15 126.939 0.300 . 1 . . . . 59 ARG N . 10322 1 620 . 1 1 60 60 ASP H H 1 8.776 0.030 . 1 . . . . 60 ASP H . 10322 1 621 . 1 1 60 60 ASP HA H 1 4.797 0.030 . 1 . . . . 60 ASP HA . 10322 1 622 . 1 1 60 60 ASP HB2 H 1 2.819 0.030 . 2 . . . . 60 ASP HB2 . 10322 1 623 . 1 1 60 60 ASP HB3 H 1 2.623 0.030 . 2 . . . . 60 ASP HB3 . 10322 1 624 . 1 1 60 60 ASP C C 13 176.928 0.300 . 1 . . . . 60 ASP C . 10322 1 625 . 1 1 60 60 ASP CA C 13 54.017 0.300 . 1 . . . . 60 ASP CA . 10322 1 626 . 1 1 60 60 ASP CB C 13 41.217 0.300 . 1 . . . . 60 ASP CB . 10322 1 627 . 1 1 60 60 ASP N N 15 125.729 0.300 . 1 . . . . 60 ASP N . 10322 1 628 . 1 1 61 61 ASN H H 1 8.792 0.030 . 1 . . . . 61 ASN H . 10322 1 629 . 1 1 61 61 ASN HA H 1 4.697 0.030 . 1 . . . . 61 ASN HA . 10322 1 630 . 1 1 61 61 ASN HB2 H 1 2.965 0.030 . 2 . . . . 61 ASN HB2 . 10322 1 631 . 1 1 61 61 ASN HB3 H 1 2.720 0.030 . 2 . . . . 61 ASN HB3 . 10322 1 632 . 1 1 61 61 ASN HD21 H 1 7.394 0.030 . 2 . . . . 61 ASN HD21 . 10322 1 633 . 1 1 61 61 ASN HD22 H 1 7.327 0.030 . 2 . . . . 61 ASN HD22 . 10322 1 634 . 1 1 61 61 ASN C C 13 175.990 0.300 . 1 . . . . 61 ASN C . 10322 1 635 . 1 1 61 61 ASN CA C 13 54.155 0.300 . 1 . . . . 61 ASN CA . 10322 1 636 . 1 1 61 61 ASN CB C 13 38.695 0.300 . 1 . . . . 61 ASN CB . 10322 1 637 . 1 1 61 61 ASN N N 15 124.928 0.300 . 1 . . . . 61 ASN N . 10322 1 638 . 1 1 61 61 ASN ND2 N 15 114.411 0.300 . 1 . . . . 61 ASN ND2 . 10322 1 639 . 1 1 62 62 LYS H H 1 9.364 0.030 . 1 . . . . 62 LYS H . 10322 1 640 . 1 1 62 62 LYS HA H 1 3.984 0.030 . 1 . . . . 62 LYS HA . 10322 1 641 . 1 1 62 62 LYS HB2 H 1 1.965 0.030 . 2 . . . . 62 LYS HB2 . 10322 1 642 . 1 1 62 62 LYS HB3 H 1 2.110 0.030 . 2 . . . . 62 LYS HB3 . 10322 1 643 . 1 1 62 62 LYS HD2 H 1 1.583 0.030 . 2 . . . . 62 LYS HD2 . 10322 1 644 . 1 1 62 62 LYS HD3 H 1 1.651 0.030 . 2 . . . . 62 LYS HD3 . 10322 1 645 . 1 1 62 62 LYS HE2 H 1 2.952 0.030 . 1 . . . . 62 LYS HE2 . 10322 1 646 . 1 1 62 62 LYS HE3 H 1 2.952 0.030 . 1 . . . . 62 LYS HE3 . 10322 1 647 . 1 1 62 62 LYS HG2 H 1 1.247 0.030 . 2 . . . . 62 LYS HG2 . 10322 1 648 . 1 1 62 62 LYS HG3 H 1 1.324 0.030 . 2 . . . . 62 LYS HG3 . 10322 1 649 . 1 1 62 62 LYS C C 13 175.257 0.300 . 1 . . . . 62 LYS C . 10322 1 650 . 1 1 62 62 LYS CA C 13 57.972 0.300 . 1 . . . . 62 LYS CA . 10322 1 651 . 1 1 62 62 LYS CB C 13 28.787 0.300 . 1 . . . . 62 LYS CB . 10322 1 652 . 1 1 62 62 LYS CD C 13 28.657 0.300 . 1 . . . . 62 LYS CD . 10322 1 653 . 1 1 62 62 LYS CE C 13 42.187 0.300 . 1 . . . . 62 LYS CE . 10322 1 654 . 1 1 62 62 LYS CG C 13 24.825 0.300 . 1 . . . . 62 LYS CG . 10322 1 655 . 1 1 62 62 LYS N N 15 115.152 0.300 . 1 . . . . 62 LYS N . 10322 1 656 . 1 1 63 63 ASP H H 1 7.878 0.030 . 1 . . . . 63 ASP H . 10322 1 657 . 1 1 63 63 ASP HA H 1 4.713 0.030 . 1 . . . . 63 ASP HA . 10322 1 658 . 1 1 63 63 ASP HB2 H 1 2.400 0.030 . 2 . . . . 63 ASP HB2 . 10322 1 659 . 1 1 63 63 ASP HB3 H 1 3.010 0.030 . 2 . . . . 63 ASP HB3 . 10322 1 660 . 1 1 63 63 ASP C C 13 177.758 0.300 . 1 . . . . 63 ASP C . 10322 1 661 . 1 1 63 63 ASP CA C 13 52.430 0.300 . 1 . . . . 63 ASP CA . 10322 1 662 . 1 1 63 63 ASP CB C 13 41.011 0.300 . 1 . . . . 63 ASP CB . 10322 1 663 . 1 1 63 63 ASP N N 15 117.682 0.300 . 1 . . . . 63 ASP N . 10322 1 664 . 1 1 64 64 GLY H H 1 8.802 0.030 . 1 . . . . 64 GLY H . 10322 1 665 . 1 1 64 64 GLY HA2 H 1 3.597 0.030 . 2 . . . . 64 GLY HA2 . 10322 1 666 . 1 1 64 64 GLY HA3 H 1 4.245 0.030 . 2 . . . . 64 GLY HA3 . 10322 1 667 . 1 1 64 64 GLY C C 13 172.760 0.300 . 1 . . . . 64 GLY C . 10322 1 668 . 1 1 64 64 GLY CA C 13 45.604 0.300 . 1 . . . . 64 GLY CA . 10322 1 669 . 1 1 64 64 GLY N N 15 110.233 0.300 . 1 . . . . 64 GLY N . 10322 1 670 . 1 1 65 65 SER H H 1 8.093 0.030 . 1 . . . . 65 SER H . 10322 1 671 . 1 1 65 65 SER HA H 1 5.564 0.030 . 1 . . . . 65 SER HA . 10322 1 672 . 1 1 65 65 SER HB2 H 1 3.917 0.030 . 2 . . . . 65 SER HB2 . 10322 1 673 . 1 1 65 65 SER HB3 H 1 3.815 0.030 . 2 . . . . 65 SER HB3 . 10322 1 674 . 1 1 65 65 SER C C 13 172.547 0.300 . 1 . . . . 65 SER C . 10322 1 675 . 1 1 65 65 SER CA C 13 57.155 0.300 . 1 . . . . 65 SER CA . 10322 1 676 . 1 1 65 65 SER CB C 13 68.372 0.300 . 1 . . . . 65 SER CB . 10322 1 677 . 1 1 65 65 SER N N 15 115.408 0.300 . 1 . . . . 65 SER N . 10322 1 678 . 1 1 66 66 CYS H H 1 9.278 0.030 . 1 . . . . 66 CYS H . 10322 1 679 . 1 1 66 66 CYS HA H 1 5.330 0.030 . 1 . . . . 66 CYS HA . 10322 1 680 . 1 1 66 66 CYS HB2 H 1 2.714 0.030 . 2 . . . . 66 CYS HB2 . 10322 1 681 . 1 1 66 66 CYS HB3 H 1 2.601 0.030 . 2 . . . . 66 CYS HB3 . 10322 1 682 . 1 1 66 66 CYS C C 13 174.007 0.300 . 1 . . . . 66 CYS C . 10322 1 683 . 1 1 66 66 CYS CA C 13 56.674 0.300 . 1 . . . . 66 CYS CA . 10322 1 684 . 1 1 66 66 CYS CB C 13 31.033 0.300 . 1 . . . . 66 CYS CB . 10322 1 685 . 1 1 66 66 CYS N N 15 117.836 0.300 . 1 . . . . 66 CYS N . 10322 1 686 . 1 1 67 67 SER H H 1 9.006 0.030 . 1 . . . . 67 SER H . 10322 1 687 . 1 1 67 67 SER HA H 1 4.820 0.030 . 1 . . . . 67 SER HA . 10322 1 688 . 1 1 67 67 SER HB2 H 1 4.031 0.030 . 2 . . . . 67 SER HB2 . 10322 1 689 . 1 1 67 67 SER HB3 H 1 3.649 0.030 . 2 . . . . 67 SER HB3 . 10322 1 690 . 1 1 67 67 SER C C 13 172.237 0.300 . 1 . . . . 67 SER C . 10322 1 691 . 1 1 67 67 SER CA C 13 58.186 0.300 . 1 . . . . 67 SER CA . 10322 1 692 . 1 1 67 67 SER CB C 13 64.082 0.300 . 1 . . . . 67 SER CB . 10322 1 693 . 1 1 67 67 SER N N 15 121.934 0.300 . 1 . . . . 67 SER N . 10322 1 694 . 1 1 68 68 ALA H H 1 8.814 0.030 . 1 . . . . 68 ALA H . 10322 1 695 . 1 1 68 68 ALA HA H 1 5.012 0.030 . 1 . . . . 68 ALA HA . 10322 1 696 . 1 1 68 68 ALA HB1 H 1 0.285 0.030 . 1 . . . . 68 ALA HB . 10322 1 697 . 1 1 68 68 ALA HB2 H 1 0.285 0.030 . 1 . . . . 68 ALA HB . 10322 1 698 . 1 1 68 68 ALA HB3 H 1 0.285 0.030 . 1 . . . . 68 ALA HB . 10322 1 699 . 1 1 68 68 ALA C C 13 175.270 0.300 . 1 . . . . 68 ALA C . 10322 1 700 . 1 1 68 68 ALA CA C 13 50.013 0.300 . 1 . . . . 68 ALA CA . 10322 1 701 . 1 1 68 68 ALA CB C 13 22.362 0.300 . 1 . . . . 68 ALA CB . 10322 1 702 . 1 1 68 68 ALA N N 15 129.588 0.300 . 1 . . . . 68 ALA N . 10322 1 703 . 1 1 69 69 GLU H H 1 8.361 0.030 . 1 . . . . 69 GLU H . 10322 1 704 . 1 1 69 69 GLU HA H 1 5.293 0.030 . 1 . . . . 69 GLU HA . 10322 1 705 . 1 1 69 69 GLU HB2 H 1 1.604 0.030 . 2 . . . . 69 GLU HB2 . 10322 1 706 . 1 1 69 69 GLU HB3 H 1 1.927 0.030 . 2 . . . . 69 GLU HB3 . 10322 1 707 . 1 1 69 69 GLU HG2 H 1 2.015 0.030 . 2 . . . . 69 GLU HG2 . 10322 1 708 . 1 1 69 69 GLU HG3 H 1 1.899 0.030 . 2 . . . . 69 GLU HG3 . 10322 1 709 . 1 1 69 69 GLU C C 13 174.621 0.300 . 1 . . . . 69 GLU C . 10322 1 710 . 1 1 69 69 GLU CA C 13 53.808 0.300 . 1 . . . . 69 GLU CA . 10322 1 711 . 1 1 69 69 GLU CB C 13 33.906 0.300 . 1 . . . . 69 GLU CB . 10322 1 712 . 1 1 69 69 GLU CG C 13 36.043 0.300 . 1 . . . . 69 GLU CG . 10322 1 713 . 1 1 69 69 GLU N N 15 117.172 0.300 . 1 . . . . 69 GLU N . 10322 1 714 . 1 1 70 70 TYR H H 1 8.932 0.030 . 1 . . . . 70 TYR H . 10322 1 715 . 1 1 70 70 TYR HA H 1 5.997 0.030 . 1 . . . . 70 TYR HA . 10322 1 716 . 1 1 70 70 TYR HB2 H 1 2.728 0.030 . 2 . . . . 70 TYR HB2 . 10322 1 717 . 1 1 70 70 TYR HB3 H 1 2.569 0.030 . 2 . . . . 70 TYR HB3 . 10322 1 718 . 1 1 70 70 TYR HD1 H 1 6.629 0.030 . 1 . . . . 70 TYR HD1 . 10322 1 719 . 1 1 70 70 TYR HD2 H 1 6.629 0.030 . 1 . . . . 70 TYR HD2 . 10322 1 720 . 1 1 70 70 TYR HE1 H 1 6.067 0.030 . 1 . . . . 70 TYR HE1 . 10322 1 721 . 1 1 70 70 TYR HE2 H 1 6.067 0.030 . 1 . . . . 70 TYR HE2 . 10322 1 722 . 1 1 70 70 TYR C C 13 174.534 0.300 . 1 . . . . 70 TYR C . 10322 1 723 . 1 1 70 70 TYR CA C 13 55.015 0.300 . 1 . . . . 70 TYR CA . 10322 1 724 . 1 1 70 70 TYR CB C 13 43.079 0.300 . 1 . . . . 70 TYR CB . 10322 1 725 . 1 1 70 70 TYR CD1 C 13 132.703 0.300 . 1 . . . . 70 TYR CD1 . 10322 1 726 . 1 1 70 70 TYR CD2 C 13 132.703 0.300 . 1 . . . . 70 TYR CD2 . 10322 1 727 . 1 1 70 70 TYR CE1 C 13 116.066 0.300 . 1 . . . . 70 TYR CE1 . 10322 1 728 . 1 1 70 70 TYR CE2 C 13 116.066 0.300 . 1 . . . . 70 TYR CE2 . 10322 1 729 . 1 1 70 70 TYR N N 15 117.726 0.300 . 1 . . . . 70 TYR N . 10322 1 730 . 1 1 71 71 ILE H H 1 8.998 0.030 . 1 . . . . 71 ILE H . 10322 1 731 . 1 1 71 71 ILE HA H 1 4.477 0.030 . 1 . . . . 71 ILE HA . 10322 1 732 . 1 1 71 71 ILE HB H 1 1.592 0.030 . 1 . . . . 71 ILE HB . 10322 1 733 . 1 1 71 71 ILE HD11 H 1 0.681 0.030 . 1 . . . . 71 ILE HD1 . 10322 1 734 . 1 1 71 71 ILE HD12 H 1 0.681 0.030 . 1 . . . . 71 ILE HD1 . 10322 1 735 . 1 1 71 71 ILE HD13 H 1 0.681 0.030 . 1 . . . . 71 ILE HD1 . 10322 1 736 . 1 1 71 71 ILE HG12 H 1 0.504 0.030 . 2 . . . . 71 ILE HG12 . 10322 1 737 . 1 1 71 71 ILE HG13 H 1 1.174 0.030 . 2 . . . . 71 ILE HG13 . 10322 1 738 . 1 1 71 71 ILE HG21 H 1 0.257 0.030 . 1 . . . . 71 ILE HG2 . 10322 1 739 . 1 1 71 71 ILE HG22 H 1 0.257 0.030 . 1 . . . . 71 ILE HG2 . 10322 1 740 . 1 1 71 71 ILE HG23 H 1 0.257 0.030 . 1 . . . . 71 ILE HG2 . 10322 1 741 . 1 1 71 71 ILE C C 13 172.505 0.300 . 1 . . . . 71 ILE C . 10322 1 742 . 1 1 71 71 ILE CA C 13 58.278 0.300 . 1 . . . . 71 ILE CA . 10322 1 743 . 1 1 71 71 ILE CB C 13 40.615 0.300 . 1 . . . . 71 ILE CB . 10322 1 744 . 1 1 71 71 ILE CD1 C 13 14.040 0.300 . 1 . . . . 71 ILE CD1 . 10322 1 745 . 1 1 71 71 ILE CG1 C 13 26.689 0.300 . 1 . . . . 71 ILE CG1 . 10322 1 746 . 1 1 71 71 ILE CG2 C 13 17.647 0.300 . 1 . . . . 71 ILE CG2 . 10322 1 747 . 1 1 71 71 ILE N N 15 123.503 0.300 . 1 . . . . 71 ILE N . 10322 1 748 . 1 1 72 72 PRO HA H 1 4.671 0.030 . 1 . . . . 72 PRO HA . 10322 1 749 . 1 1 72 72 PRO HB2 H 1 1.305 0.030 . 2 . . . . 72 PRO HB2 . 10322 1 750 . 1 1 72 72 PRO HB3 H 1 1.582 0.030 . 2 . . . . 72 PRO HB3 . 10322 1 751 . 1 1 72 72 PRO HD2 H 1 3.231 0.030 . 2 . . . . 72 PRO HD2 . 10322 1 752 . 1 1 72 72 PRO HD3 H 1 3.720 0.030 . 2 . . . . 72 PRO HD3 . 10322 1 753 . 1 1 72 72 PRO HG2 H 1 1.378 0.030 . 2 . . . . 72 PRO HG2 . 10322 1 754 . 1 1 72 72 PRO HG3 H 1 1.297 0.030 . 2 . . . . 72 PRO HG3 . 10322 1 755 . 1 1 72 72 PRO C C 13 176.944 0.300 . 1 . . . . 72 PRO C . 10322 1 756 . 1 1 72 72 PRO CA C 13 60.961 0.300 . 1 . . . . 72 PRO CA . 10322 1 757 . 1 1 72 72 PRO CB C 13 31.996 0.300 . 1 . . . . 72 PRO CB . 10322 1 758 . 1 1 72 72 PRO CD C 13 50.163 0.300 . 1 . . . . 72 PRO CD . 10322 1 759 . 1 1 72 72 PRO CG C 13 26.973 0.300 . 1 . . . . 72 PRO CG . 10322 1 760 . 1 1 73 73 PHE H H 1 7.731 0.030 . 1 . . . . 73 PHE H . 10322 1 761 . 1 1 73 73 PHE HA H 1 4.769 0.030 . 1 . . . . 73 PHE HA . 10322 1 762 . 1 1 73 73 PHE HB2 H 1 2.531 0.030 . 2 . . . . 73 PHE HB2 . 10322 1 763 . 1 1 73 73 PHE HB3 H 1 3.550 0.030 . 2 . . . . 73 PHE HB3 . 10322 1 764 . 1 1 73 73 PHE HD1 H 1 7.263 0.030 . 1 . . . . 73 PHE HD1 . 10322 1 765 . 1 1 73 73 PHE HD2 H 1 7.263 0.030 . 1 . . . . 73 PHE HD2 . 10322 1 766 . 1 1 73 73 PHE HE1 H 1 7.420 0.030 . 1 . . . . 73 PHE HE1 . 10322 1 767 . 1 1 73 73 PHE HE2 H 1 7.420 0.030 . 1 . . . . 73 PHE HE2 . 10322 1 768 . 1 1 73 73 PHE HZ H 1 7.151 0.030 . 1 . . . . 73 PHE HZ . 10322 1 769 . 1 1 73 73 PHE C C 13 174.484 0.300 . 1 . . . . 73 PHE C . 10322 1 770 . 1 1 73 73 PHE CA C 13 58.035 0.300 . 1 . . . . 73 PHE CA . 10322 1 771 . 1 1 73 73 PHE CB C 13 41.137 0.300 . 1 . . . . 73 PHE CB . 10322 1 772 . 1 1 73 73 PHE CD1 C 13 131.778 0.300 . 1 . . . . 73 PHE CD1 . 10322 1 773 . 1 1 73 73 PHE CD2 C 13 131.778 0.300 . 1 . . . . 73 PHE CD2 . 10322 1 774 . 1 1 73 73 PHE CE1 C 13 131.917 0.300 . 1 . . . . 73 PHE CE1 . 10322 1 775 . 1 1 73 73 PHE CE2 C 13 131.917 0.300 . 1 . . . . 73 PHE CE2 . 10322 1 776 . 1 1 73 73 PHE CZ C 13 129.231 0.300 . 1 . . . . 73 PHE CZ . 10322 1 777 . 1 1 73 73 PHE N N 15 115.009 0.300 . 1 . . . . 73 PHE N . 10322 1 778 . 1 1 74 74 ALA H H 1 6.937 0.030 . 1 . . . . 74 ALA H . 10322 1 779 . 1 1 74 74 ALA HA H 1 4.961 0.030 . 1 . . . . 74 ALA HA . 10322 1 780 . 1 1 74 74 ALA HB1 H 1 1.350 0.030 . 1 . . . . 74 ALA HB . 10322 1 781 . 1 1 74 74 ALA HB2 H 1 1.350 0.030 . 1 . . . . 74 ALA HB . 10322 1 782 . 1 1 74 74 ALA HB3 H 1 1.350 0.030 . 1 . . . . 74 ALA HB . 10322 1 783 . 1 1 74 74 ALA C C 13 174.717 0.300 . 1 . . . . 74 ALA C . 10322 1 784 . 1 1 74 74 ALA CA C 13 49.539 0.300 . 1 . . . . 74 ALA CA . 10322 1 785 . 1 1 74 74 ALA CB C 13 20.904 0.300 . 1 . . . . 74 ALA CB . 10322 1 786 . 1 1 74 74 ALA N N 15 119.569 0.300 . 1 . . . . 74 ALA N . 10322 1 787 . 1 1 75 75 PRO HA H 1 4.247 0.030 . 1 . . . . 75 PRO HA . 10322 1 788 . 1 1 75 75 PRO HB2 H 1 2.099 0.030 . 1 . . . . 75 PRO HB2 . 10322 1 789 . 1 1 75 75 PRO HB3 H 1 2.099 0.030 . 1 . . . . 75 PRO HB3 . 10322 1 790 . 1 1 75 75 PRO HD2 H 1 3.746 0.030 . 2 . . . . 75 PRO HD2 . 10322 1 791 . 1 1 75 75 PRO HD3 H 1 3.832 0.030 . 2 . . . . 75 PRO HD3 . 10322 1 792 . 1 1 75 75 PRO HG2 H 1 2.060 0.030 . 2 . . . . 75 PRO HG2 . 10322 1 793 . 1 1 75 75 PRO HG3 H 1 2.024 0.030 . 2 . . . . 75 PRO HG3 . 10322 1 794 . 1 1 75 75 PRO C C 13 174.321 0.300 . 1 . . . . 75 PRO C . 10322 1 795 . 1 1 75 75 PRO CA C 13 62.867 0.300 . 1 . . . . 75 PRO CA . 10322 1 796 . 1 1 75 75 PRO CB C 13 32.776 0.300 . 1 . . . . 75 PRO CB . 10322 1 797 . 1 1 75 75 PRO CD C 13 50.704 0.300 . 1 . . . . 75 PRO CD . 10322 1 798 . 1 1 75 75 PRO CG C 13 26.967 0.300 . 1 . . . . 75 PRO CG . 10322 1 799 . 1 1 76 76 GLY H H 1 8.607 0.030 . 1 . . . . 76 GLY H . 10322 1 800 . 1 1 76 76 GLY HA2 H 1 3.783 0.030 . 2 . . . . 76 GLY HA2 . 10322 1 801 . 1 1 76 76 GLY HA3 H 1 4.385 0.030 . 2 . . . . 76 GLY HA3 . 10322 1 802 . 1 1 76 76 GLY C C 13 171.393 0.300 . 1 . . . . 76 GLY C . 10322 1 803 . 1 1 76 76 GLY CA C 13 44.368 0.300 . 1 . . . . 76 GLY CA . 10322 1 804 . 1 1 76 76 GLY N N 15 106.076 0.300 . 1 . . . . 76 GLY N . 10322 1 805 . 1 1 77 77 ASP H H 1 8.318 0.030 . 1 . . . . 77 ASP H . 10322 1 806 . 1 1 77 77 ASP HA H 1 5.223 0.030 . 1 . . . . 77 ASP HA . 10322 1 807 . 1 1 77 77 ASP HB2 H 1 2.156 0.030 . 2 . . . . 77 ASP HB2 . 10322 1 808 . 1 1 77 77 ASP HB3 H 1 2.353 0.030 . 2 . . . . 77 ASP HB3 . 10322 1 809 . 1 1 77 77 ASP C C 13 175.253 0.300 . 1 . . . . 77 ASP C . 10322 1 810 . 1 1 77 77 ASP CA C 13 54.366 0.300 . 1 . . . . 77 ASP CA . 10322 1 811 . 1 1 77 77 ASP CB C 13 41.858 0.300 . 1 . . . . 77 ASP CB . 10322 1 812 . 1 1 77 77 ASP N N 15 120.920 0.300 . 1 . . . . 77 ASP N . 10322 1 813 . 1 1 78 78 TYR H H 1 8.732 0.030 . 1 . . . . 78 TYR H . 10322 1 814 . 1 1 78 78 TYR HA H 1 5.110 0.030 . 1 . . . . 78 TYR HA . 10322 1 815 . 1 1 78 78 TYR HB2 H 1 2.402 0.030 . 2 . . . . 78 TYR HB2 . 10322 1 816 . 1 1 78 78 TYR HB3 H 1 2.751 0.030 . 2 . . . . 78 TYR HB3 . 10322 1 817 . 1 1 78 78 TYR HD1 H 1 7.045 0.030 . 1 . . . . 78 TYR HD1 . 10322 1 818 . 1 1 78 78 TYR HD2 H 1 7.045 0.030 . 1 . . . . 78 TYR HD2 . 10322 1 819 . 1 1 78 78 TYR HE1 H 1 6.657 0.030 . 1 . . . . 78 TYR HE1 . 10322 1 820 . 1 1 78 78 TYR HE2 H 1 6.657 0.030 . 1 . . . . 78 TYR HE2 . 10322 1 821 . 1 1 78 78 TYR C C 13 174.280 0.300 . 1 . . . . 78 TYR C . 10322 1 822 . 1 1 78 78 TYR CA C 13 55.904 0.300 . 1 . . . . 78 TYR CA . 10322 1 823 . 1 1 78 78 TYR CB C 13 40.260 0.300 . 1 . . . . 78 TYR CB . 10322 1 824 . 1 1 78 78 TYR CD1 C 13 134.529 0.300 . 1 . . . . 78 TYR CD1 . 10322 1 825 . 1 1 78 78 TYR CD2 C 13 134.529 0.300 . 1 . . . . 78 TYR CD2 . 10322 1 826 . 1 1 78 78 TYR CE1 C 13 116.245 0.300 . 1 . . . . 78 TYR CE1 . 10322 1 827 . 1 1 78 78 TYR CE2 C 13 116.245 0.300 . 1 . . . . 78 TYR CE2 . 10322 1 828 . 1 1 78 78 TYR N N 15 123.228 0.300 . 1 . . . . 78 TYR N . 10322 1 829 . 1 1 79 79 ASP H H 1 9.137 0.030 . 1 . . . . 79 ASP H . 10322 1 830 . 1 1 79 79 ASP HA H 1 5.603 0.030 . 1 . . . . 79 ASP HA . 10322 1 831 . 1 1 79 79 ASP HB2 H 1 2.398 0.030 . 2 . . . . 79 ASP HB2 . 10322 1 832 . 1 1 79 79 ASP HB3 H 1 2.139 0.030 . 2 . . . . 79 ASP HB3 . 10322 1 833 . 1 1 79 79 ASP C C 13 174.995 0.300 . 1 . . . . 79 ASP C . 10322 1 834 . 1 1 79 79 ASP CA C 13 53.037 0.300 . 1 . . . . 79 ASP CA . 10322 1 835 . 1 1 79 79 ASP CB C 13 43.744 0.300 . 1 . . . . 79 ASP CB . 10322 1 836 . 1 1 79 79 ASP N N 15 119.927 0.300 . 1 . . . . 79 ASP N . 10322 1 837 . 1 1 80 80 VAL H H 1 9.553 0.030 . 1 . . . . 80 VAL H . 10322 1 838 . 1 1 80 80 VAL HA H 1 4.239 0.030 . 1 . . . . 80 VAL HA . 10322 1 839 . 1 1 80 80 VAL HB H 1 1.962 0.030 . 1 . . . . 80 VAL HB . 10322 1 840 . 1 1 80 80 VAL HG11 H 1 0.350 0.030 . 1 . . . . 80 VAL HG1 . 10322 1 841 . 1 1 80 80 VAL HG12 H 1 0.350 0.030 . 1 . . . . 80 VAL HG1 . 10322 1 842 . 1 1 80 80 VAL HG13 H 1 0.350 0.030 . 1 . . . . 80 VAL HG1 . 10322 1 843 . 1 1 80 80 VAL HG21 H 1 0.415 0.030 . 1 . . . . 80 VAL HG2 . 10322 1 844 . 1 1 80 80 VAL HG22 H 1 0.415 0.030 . 1 . . . . 80 VAL HG2 . 10322 1 845 . 1 1 80 80 VAL HG23 H 1 0.415 0.030 . 1 . . . . 80 VAL HG2 . 10322 1 846 . 1 1 80 80 VAL C C 13 175.168 0.300 . 1 . . . . 80 VAL C . 10322 1 847 . 1 1 80 80 VAL CA C 13 61.966 0.300 . 1 . . . . 80 VAL CA . 10322 1 848 . 1 1 80 80 VAL CB C 13 31.916 0.300 . 1 . . . . 80 VAL CB . 10322 1 849 . 1 1 80 80 VAL CG1 C 13 20.378 0.300 . 2 . . . . 80 VAL CG1 . 10322 1 850 . 1 1 80 80 VAL CG2 C 13 19.807 0.300 . 2 . . . . 80 VAL CG2 . 10322 1 851 . 1 1 80 80 VAL N N 15 124.832 0.300 . 1 . . . . 80 VAL N . 10322 1 852 . 1 1 81 81 ASN H H 1 9.293 0.030 . 1 . . . . 81 ASN H . 10322 1 853 . 1 1 81 81 ASN HA H 1 5.018 0.030 . 1 . . . . 81 ASN HA . 10322 1 854 . 1 1 81 81 ASN HB2 H 1 2.064 0.030 . 2 . . . . 81 ASN HB2 . 10322 1 855 . 1 1 81 81 ASN HB3 H 1 3.243 0.030 . 2 . . . . 81 ASN HB3 . 10322 1 856 . 1 1 81 81 ASN HD21 H 1 6.425 0.030 . 2 . . . . 81 ASN HD21 . 10322 1 857 . 1 1 81 81 ASN HD22 H 1 6.774 0.030 . 2 . . . . 81 ASN HD22 . 10322 1 858 . 1 1 81 81 ASN C C 13 174.320 0.300 . 1 . . . . 81 ASN C . 10322 1 859 . 1 1 81 81 ASN CA C 13 52.526 0.300 . 1 . . . . 81 ASN CA . 10322 1 860 . 1 1 81 81 ASN CB C 13 40.590 0.300 . 1 . . . . 81 ASN CB . 10322 1 861 . 1 1 81 81 ASN N N 15 126.989 0.300 . 1 . . . . 81 ASN N . 10322 1 862 . 1 1 81 81 ASN ND2 N 15 111.185 0.300 . 1 . . . . 81 ASN ND2 . 10322 1 863 . 1 1 82 82 ILE H H 1 9.859 0.030 . 1 . . . . 82 ILE H . 10322 1 864 . 1 1 82 82 ILE HA H 1 5.030 0.030 . 1 . . . . 82 ILE HA . 10322 1 865 . 1 1 82 82 ILE HB H 1 1.717 0.030 . 1 . . . . 82 ILE HB . 10322 1 866 . 1 1 82 82 ILE HD11 H 1 0.459 0.030 . 1 . . . . 82 ILE HD1 . 10322 1 867 . 1 1 82 82 ILE HD12 H 1 0.459 0.030 . 1 . . . . 82 ILE HD1 . 10322 1 868 . 1 1 82 82 ILE HD13 H 1 0.459 0.030 . 1 . . . . 82 ILE HD1 . 10322 1 869 . 1 1 82 82 ILE HG12 H 1 1.586 0.030 . 1 . . . . 82 ILE HG12 . 10322 1 870 . 1 1 82 82 ILE HG13 H 1 1.586 0.030 . 1 . . . . 82 ILE HG13 . 10322 1 871 . 1 1 82 82 ILE HG21 H 1 0.832 0.030 . 1 . . . . 82 ILE HG2 . 10322 1 872 . 1 1 82 82 ILE HG22 H 1 0.832 0.030 . 1 . . . . 82 ILE HG2 . 10322 1 873 . 1 1 82 82 ILE HG23 H 1 0.832 0.030 . 1 . . . . 82 ILE HG2 . 10322 1 874 . 1 1 82 82 ILE C C 13 174.128 0.300 . 1 . . . . 82 ILE C . 10322 1 875 . 1 1 82 82 ILE CA C 13 60.486 0.300 . 1 . . . . 82 ILE CA . 10322 1 876 . 1 1 82 82 ILE CB C 13 40.004 0.300 . 1 . . . . 82 ILE CB . 10322 1 877 . 1 1 82 82 ILE CD1 C 13 15.618 0.300 . 1 . . . . 82 ILE CD1 . 10322 1 878 . 1 1 82 82 ILE CG1 C 13 26.929 0.300 . 1 . . . . 82 ILE CG1 . 10322 1 879 . 1 1 82 82 ILE CG2 C 13 18.588 0.300 . 1 . . . . 82 ILE CG2 . 10322 1 880 . 1 1 82 82 ILE N N 15 125.331 0.300 . 1 . . . . 82 ILE N . 10322 1 881 . 1 1 83 83 THR H H 1 9.233 0.030 . 1 . . . . 83 THR H . 10322 1 882 . 1 1 83 83 THR HA H 1 5.078 0.030 . 1 . . . . 83 THR HA . 10322 1 883 . 1 1 83 83 THR HB H 1 3.315 0.030 . 1 . . . . 83 THR HB . 10322 1 884 . 1 1 83 83 THR HG21 H 1 0.175 0.030 . 1 . . . . 83 THR HG2 . 10322 1 885 . 1 1 83 83 THR HG22 H 1 0.175 0.030 . 1 . . . . 83 THR HG2 . 10322 1 886 . 1 1 83 83 THR HG23 H 1 0.175 0.030 . 1 . . . . 83 THR HG2 . 10322 1 887 . 1 1 83 83 THR C C 13 173.890 0.300 . 1 . . . . 83 THR C . 10322 1 888 . 1 1 83 83 THR CA C 13 57.601 0.300 . 1 . . . . 83 THR CA . 10322 1 889 . 1 1 83 83 THR CB C 13 72.256 0.300 . 1 . . . . 83 THR CB . 10322 1 890 . 1 1 83 83 THR CG2 C 13 18.834 0.300 . 1 . . . . 83 THR CG2 . 10322 1 891 . 1 1 83 83 THR N N 15 115.693 0.300 . 1 . . . . 83 THR N . 10322 1 892 . 1 1 84 84 TYR H H 1 9.305 0.030 . 1 . . . . 84 TYR H . 10322 1 893 . 1 1 84 84 TYR HA H 1 5.255 0.030 . 1 . . . . 84 TYR HA . 10322 1 894 . 1 1 84 84 TYR HB2 H 1 2.460 0.030 . 2 . . . . 84 TYR HB2 . 10322 1 895 . 1 1 84 84 TYR HB3 H 1 2.667 0.030 . 2 . . . . 84 TYR HB3 . 10322 1 896 . 1 1 84 84 TYR HD1 H 1 6.594 0.030 . 1 . . . . 84 TYR HD1 . 10322 1 897 . 1 1 84 84 TYR HD2 H 1 6.594 0.030 . 1 . . . . 84 TYR HD2 . 10322 1 898 . 1 1 84 84 TYR HE1 H 1 6.541 0.030 . 1 . . . . 84 TYR HE1 . 10322 1 899 . 1 1 84 84 TYR HE2 H 1 6.541 0.030 . 1 . . . . 84 TYR HE2 . 10322 1 900 . 1 1 84 84 TYR C C 13 176.542 0.300 . 1 . . . . 84 TYR C . 10322 1 901 . 1 1 84 84 TYR CA C 13 57.186 0.300 . 1 . . . . 84 TYR CA . 10322 1 902 . 1 1 84 84 TYR CB C 13 42.790 0.300 . 1 . . . . 84 TYR CB . 10322 1 903 . 1 1 84 84 TYR CD1 C 13 131.741 0.300 . 1 . . . . 84 TYR CD1 . 10322 1 904 . 1 1 84 84 TYR CD2 C 13 131.741 0.300 . 1 . . . . 84 TYR CD2 . 10322 1 905 . 1 1 84 84 TYR CE1 C 13 118.465 0.300 . 1 . . . . 84 TYR CE1 . 10322 1 906 . 1 1 84 84 TYR CE2 C 13 118.465 0.300 . 1 . . . . 84 TYR CE2 . 10322 1 907 . 1 1 84 84 TYR N N 15 122.076 0.300 . 1 . . . . 84 TYR N . 10322 1 908 . 1 1 85 85 GLY H H 1 8.590 0.030 . 1 . . . . 85 GLY H . 10322 1 909 . 1 1 85 85 GLY HA2 H 1 3.890 0.030 . 2 . . . . 85 GLY HA2 . 10322 1 910 . 1 1 85 85 GLY HA3 H 1 3.853 0.030 . 2 . . . . 85 GLY HA3 . 10322 1 911 . 1 1 85 85 GLY C C 13 175.727 0.300 . 1 . . . . 85 GLY C . 10322 1 912 . 1 1 85 85 GLY CA C 13 46.772 0.300 . 1 . . . . 85 GLY CA . 10322 1 913 . 1 1 85 85 GLY N N 15 115.107 0.300 . 1 . . . . 85 GLY N . 10322 1 914 . 1 1 86 86 GLY H H 1 8.497 0.030 . 1 . . . . 86 GLY H . 10322 1 915 . 1 1 86 86 GLY HA2 H 1 3.354 0.030 . 2 . . . . 86 GLY HA2 . 10322 1 916 . 1 1 86 86 GLY HA3 H 1 4.173 0.030 . 2 . . . . 86 GLY HA3 . 10322 1 917 . 1 1 86 86 GLY C C 13 172.520 0.300 . 1 . . . . 86 GLY C . 10322 1 918 . 1 1 86 86 GLY CA C 13 44.545 0.300 . 1 . . . . 86 GLY CA . 10322 1 919 . 1 1 86 86 GLY N N 15 104.045 0.300 . 1 . . . . 86 GLY N . 10322 1 920 . 1 1 87 87 ALA H H 1 7.113 0.030 . 1 . . . . 87 ALA H . 10322 1 921 . 1 1 87 87 ALA HA H 1 4.697 0.030 . 1 . . . . 87 ALA HA . 10322 1 922 . 1 1 87 87 ALA HB1 H 1 1.384 0.030 . 1 . . . . 87 ALA HB . 10322 1 923 . 1 1 87 87 ALA HB2 H 1 1.384 0.030 . 1 . . . . 87 ALA HB . 10322 1 924 . 1 1 87 87 ALA HB3 H 1 1.384 0.030 . 1 . . . . 87 ALA HB . 10322 1 925 . 1 1 87 87 ALA C C 13 176.711 0.300 . 1 . . . . 87 ALA C . 10322 1 926 . 1 1 87 87 ALA CA C 13 50.038 0.300 . 1 . . . . 87 ALA CA . 10322 1 927 . 1 1 87 87 ALA CB C 13 21.620 0.300 . 1 . . . . 87 ALA CB . 10322 1 928 . 1 1 87 87 ALA N N 15 122.783 0.300 . 1 . . . . 87 ALA N . 10322 1 929 . 1 1 88 88 HIS H H 1 8.592 0.030 . 1 . . . . 88 HIS H . 10322 1 930 . 1 1 88 88 HIS HA H 1 4.304 0.030 . 1 . . . . 88 HIS HA . 10322 1 931 . 1 1 88 88 HIS HB2 H 1 2.798 0.030 . 2 . . . . 88 HIS HB2 . 10322 1 932 . 1 1 88 88 HIS HB3 H 1 3.077 0.030 . 2 . . . . 88 HIS HB3 . 10322 1 933 . 1 1 88 88 HIS HD2 H 1 7.024 0.030 . 1 . . . . 88 HIS HD2 . 10322 1 934 . 1 1 88 88 HIS HE1 H 1 7.850 0.030 . 1 . . . . 88 HIS HE1 . 10322 1 935 . 1 1 88 88 HIS C C 13 177.134 0.300 . 1 . . . . 88 HIS C . 10322 1 936 . 1 1 88 88 HIS CA C 13 58.934 0.300 . 1 . . . . 88 HIS CA . 10322 1 937 . 1 1 88 88 HIS CB C 13 32.235 0.300 . 1 . . . . 88 HIS CB . 10322 1 938 . 1 1 88 88 HIS CD2 C 13 117.263 0.300 . 1 . . . . 88 HIS CD2 . 10322 1 939 . 1 1 88 88 HIS CE1 C 13 137.996 0.300 . 1 . . . . 88 HIS CE1 . 10322 1 940 . 1 1 88 88 HIS N N 15 121.237 0.300 . 1 . . . . 88 HIS N . 10322 1 941 . 1 1 89 89 ILE H H 1 8.028 0.030 . 1 . . . . 89 ILE H . 10322 1 942 . 1 1 89 89 ILE HA H 1 4.421 0.030 . 1 . . . . 89 ILE HA . 10322 1 943 . 1 1 89 89 ILE HB H 1 2.187 0.030 . 1 . . . . 89 ILE HB . 10322 1 944 . 1 1 89 89 ILE HD11 H 1 0.818 0.030 . 1 . . . . 89 ILE HD1 . 10322 1 945 . 1 1 89 89 ILE HD12 H 1 0.818 0.030 . 1 . . . . 89 ILE HD1 . 10322 1 946 . 1 1 89 89 ILE HD13 H 1 0.818 0.030 . 1 . . . . 89 ILE HD1 . 10322 1 947 . 1 1 89 89 ILE HG12 H 1 1.356 0.030 . 1 . . . . 89 ILE HG12 . 10322 1 948 . 1 1 89 89 ILE HG13 H 1 1.356 0.030 . 1 . . . . 89 ILE HG13 . 10322 1 949 . 1 1 89 89 ILE HG21 H 1 0.872 0.030 . 1 . . . . 89 ILE HG2 . 10322 1 950 . 1 1 89 89 ILE HG22 H 1 0.872 0.030 . 1 . . . . 89 ILE HG2 . 10322 1 951 . 1 1 89 89 ILE HG23 H 1 0.872 0.030 . 1 . . . . 89 ILE HG2 . 10322 1 952 . 1 1 89 89 ILE C C 13 173.397 0.300 . 1 . . . . 89 ILE C . 10322 1 953 . 1 1 89 89 ILE CA C 13 60.239 0.300 . 1 . . . . 89 ILE CA . 10322 1 954 . 1 1 89 89 ILE CB C 13 35.500 0.300 . 1 . . . . 89 ILE CB . 10322 1 955 . 1 1 89 89 ILE CD1 C 13 16.344 0.300 . 1 . . . . 89 ILE CD1 . 10322 1 956 . 1 1 89 89 ILE CG1 C 13 24.768 0.300 . 1 . . . . 89 ILE CG1 . 10322 1 957 . 1 1 89 89 ILE CG2 C 13 17.954 0.300 . 1 . . . . 89 ILE CG2 . 10322 1 958 . 1 1 89 89 ILE N N 15 118.844 0.300 . 1 . . . . 89 ILE N . 10322 1 959 . 1 1 90 90 PRO HA H 1 4.201 0.030 . 1 . . . . 90 PRO HA . 10322 1 960 . 1 1 90 90 PRO HB2 H 1 1.938 0.030 . 2 . . . . 90 PRO HB2 . 10322 1 961 . 1 1 90 90 PRO HB3 H 1 2.275 0.030 . 2 . . . . 90 PRO HB3 . 10322 1 962 . 1 1 90 90 PRO HD2 H 1 4.117 0.030 . 2 . . . . 90 PRO HD2 . 10322 1 963 . 1 1 90 90 PRO HD3 H 1 3.705 0.030 . 2 . . . . 90 PRO HD3 . 10322 1 964 . 1 1 90 90 PRO HG2 H 1 1.881 0.030 . 2 . . . . 90 PRO HG2 . 10322 1 965 . 1 1 90 90 PRO HG3 H 1 2.290 0.030 . 2 . . . . 90 PRO HG3 . 10322 1 966 . 1 1 90 90 PRO C C 13 176.848 0.300 . 1 . . . . 90 PRO C . 10322 1 967 . 1 1 90 90 PRO CA C 13 65.302 0.300 . 1 . . . . 90 PRO CA . 10322 1 968 . 1 1 90 90 PRO CB C 13 31.115 0.300 . 1 . . . . 90 PRO CB . 10322 1 969 . 1 1 90 90 PRO CD C 13 50.950 0.300 . 1 . . . . 90 PRO CD . 10322 1 970 . 1 1 90 90 PRO CG C 13 28.526 0.300 . 1 . . . . 90 PRO CG . 10322 1 971 . 1 1 91 91 GLY H H 1 8.158 0.030 . 1 . . . . 91 GLY H . 10322 1 972 . 1 1 91 91 GLY HA2 H 1 3.015 0.030 . 2 . . . . 91 GLY HA2 . 10322 1 973 . 1 1 91 91 GLY HA3 H 1 3.990 0.030 . 2 . . . . 91 GLY HA3 . 10322 1 974 . 1 1 91 91 GLY C C 13 171.712 0.300 . 1 . . . . 91 GLY C . 10322 1 975 . 1 1 91 91 GLY CA C 13 44.339 0.300 . 1 . . . . 91 GLY CA . 10322 1 976 . 1 1 91 91 GLY N N 15 113.826 0.300 . 1 . . . . 91 GLY N . 10322 1 977 . 1 1 92 92 SER H H 1 7.524 0.030 . 1 . . . . 92 SER H . 10322 1 978 . 1 1 92 92 SER HA H 1 4.235 0.030 . 1 . . . . 92 SER HA . 10322 1 979 . 1 1 92 92 SER HB2 H 1 3.648 0.030 . 2 . . . . 92 SER HB2 . 10322 1 980 . 1 1 92 92 SER HB3 H 1 4.384 0.030 . 2 . . . . 92 SER HB3 . 10322 1 981 . 1 1 92 92 SER C C 13 174.668 0.300 . 1 . . . . 92 SER C . 10322 1 982 . 1 1 92 92 SER CA C 13 54.662 0.300 . 1 . . . . 92 SER CA . 10322 1 983 . 1 1 92 92 SER CB C 13 62.546 0.300 . 1 . . . . 92 SER CB . 10322 1 984 . 1 1 92 92 SER N N 15 111.622 0.300 . 1 . . . . 92 SER N . 10322 1 985 . 1 1 93 93 PRO HA H 1 5.229 0.030 . 1 . . . . 93 PRO HA . 10322 1 986 . 1 1 93 93 PRO HB2 H 1 1.438 0.030 . 2 . . . . 93 PRO HB2 . 10322 1 987 . 1 1 93 93 PRO HB3 H 1 2.315 0.030 . 2 . . . . 93 PRO HB3 . 10322 1 988 . 1 1 93 93 PRO HD2 H 1 3.158 0.030 . 2 . . . . 93 PRO HD2 . 10322 1 989 . 1 1 93 93 PRO HD3 H 1 2.407 0.030 . 2 . . . . 93 PRO HD3 . 10322 1 990 . 1 1 93 93 PRO HG2 H 1 1.640 0.030 . 2 . . . . 93 PRO HG2 . 10322 1 991 . 1 1 93 93 PRO HG3 H 1 1.749 0.030 . 2 . . . . 93 PRO HG3 . 10322 1 992 . 1 1 93 93 PRO C C 13 176.531 0.300 . 1 . . . . 93 PRO C . 10322 1 993 . 1 1 93 93 PRO CA C 13 62.193 0.300 . 1 . . . . 93 PRO CA . 10322 1 994 . 1 1 93 93 PRO CB C 13 33.249 0.300 . 1 . . . . 93 PRO CB . 10322 1 995 . 1 1 93 93 PRO CD C 13 50.047 0.300 . 1 . . . . 93 PRO CD . 10322 1 996 . 1 1 93 93 PRO CG C 13 24.911 0.300 . 1 . . . . 93 PRO CG . 10322 1 997 . 1 1 94 94 PHE H H 1 9.250 0.030 . 1 . . . . 94 PHE H . 10322 1 998 . 1 1 94 94 PHE HA H 1 4.370 0.030 . 1 . . . . 94 PHE HA . 10322 1 999 . 1 1 94 94 PHE HB2 H 1 2.833 0.030 . 1 . . . . 94 PHE HB2 . 10322 1 1000 . 1 1 94 94 PHE HB3 H 1 2.833 0.030 . 1 . . . . 94 PHE HB3 . 10322 1 1001 . 1 1 94 94 PHE HD1 H 1 7.214 0.030 . 1 . . . . 94 PHE HD1 . 10322 1 1002 . 1 1 94 94 PHE HD2 H 1 7.214 0.030 . 1 . . . . 94 PHE HD2 . 10322 1 1003 . 1 1 94 94 PHE HE1 H 1 7.053 0.030 . 1 . . . . 94 PHE HE1 . 10322 1 1004 . 1 1 94 94 PHE HE2 H 1 7.053 0.030 . 1 . . . . 94 PHE HE2 . 10322 1 1005 . 1 1 94 94 PHE HZ H 1 7.258 0.030 . 1 . . . . 94 PHE HZ . 10322 1 1006 . 1 1 94 94 PHE C C 13 174.829 0.300 . 1 . . . . 94 PHE C . 10322 1 1007 . 1 1 94 94 PHE CA C 13 57.209 0.300 . 1 . . . . 94 PHE CA . 10322 1 1008 . 1 1 94 94 PHE CB C 13 39.616 0.300 . 1 . . . . 94 PHE CB . 10322 1 1009 . 1 1 94 94 PHE CD1 C 13 132.518 0.300 . 1 . . . . 94 PHE CD1 . 10322 1 1010 . 1 1 94 94 PHE CD2 C 13 132.518 0.300 . 1 . . . . 94 PHE CD2 . 10322 1 1011 . 1 1 94 94 PHE CE1 C 13 130.574 0.300 . 1 . . . . 94 PHE CE1 . 10322 1 1012 . 1 1 94 94 PHE CE2 C 13 130.574 0.300 . 1 . . . . 94 PHE CE2 . 10322 1 1013 . 1 1 94 94 PHE CZ C 13 129.304 0.300 . 1 . . . . 94 PHE CZ . 10322 1 1014 . 1 1 94 94 PHE N N 15 124.890 0.300 . 1 . . . . 94 PHE N . 10322 1 1015 . 1 1 95 95 ARG H H 1 8.759 0.030 . 1 . . . . 95 ARG H . 10322 1 1016 . 1 1 95 95 ARG HA H 1 5.158 0.030 . 1 . . . . 95 ARG HA . 10322 1 1017 . 1 1 95 95 ARG HB2 H 1 1.811 0.030 . 1 . . . . 95 ARG HB2 . 10322 1 1018 . 1 1 95 95 ARG HB3 H 1 1.811 0.030 . 1 . . . . 95 ARG HB3 . 10322 1 1019 . 1 1 95 95 ARG HD2 H 1 3.054 0.030 . 2 . . . . 95 ARG HD2 . 10322 1 1020 . 1 1 95 95 ARG HD3 H 1 3.107 0.030 . 2 . . . . 95 ARG HD3 . 10322 1 1021 . 1 1 95 95 ARG HE H 1 7.745 0.030 . 1 . . . . 95 ARG HE . 10322 1 1022 . 1 1 95 95 ARG HG2 H 1 1.274 0.030 . 2 . . . . 95 ARG HG2 . 10322 1 1023 . 1 1 95 95 ARG HG3 H 1 1.628 0.030 . 2 . . . . 95 ARG HG3 . 10322 1 1024 . 1 1 95 95 ARG C C 13 176.130 0.300 . 1 . . . . 95 ARG C . 10322 1 1025 . 1 1 95 95 ARG CA C 13 54.716 0.300 . 1 . . . . 95 ARG CA . 10322 1 1026 . 1 1 95 95 ARG CB C 13 28.592 0.300 . 1 . . . . 95 ARG CB . 10322 1 1027 . 1 1 95 95 ARG CD C 13 41.796 0.300 . 1 . . . . 95 ARG CD . 10322 1 1028 . 1 1 95 95 ARG CG C 13 26.482 0.300 . 1 . . . . 95 ARG CG . 10322 1 1029 . 1 1 95 95 ARG N N 15 127.243 0.300 . 1 . . . . 95 ARG N . 10322 1 1030 . 1 1 95 95 ARG NE N 15 83.419 0.300 . 1 . . . . 95 ARG NE . 10322 1 1031 . 1 1 96 96 VAL H H 1 9.620 0.030 . 1 . . . . 96 VAL H . 10322 1 1032 . 1 1 96 96 VAL HA H 1 4.504 0.030 . 1 . . . . 96 VAL HA . 10322 1 1033 . 1 1 96 96 VAL HB H 1 1.721 0.030 . 1 . . . . 96 VAL HB . 10322 1 1034 . 1 1 96 96 VAL HG11 H 1 0.500 0.030 . 1 . . . . 96 VAL HG1 . 10322 1 1035 . 1 1 96 96 VAL HG12 H 1 0.500 0.030 . 1 . . . . 96 VAL HG1 . 10322 1 1036 . 1 1 96 96 VAL HG13 H 1 0.500 0.030 . 1 . . . . 96 VAL HG1 . 10322 1 1037 . 1 1 96 96 VAL HG21 H 1 0.657 0.030 . 1 . . . . 96 VAL HG2 . 10322 1 1038 . 1 1 96 96 VAL HG22 H 1 0.657 0.030 . 1 . . . . 96 VAL HG2 . 10322 1 1039 . 1 1 96 96 VAL HG23 H 1 0.657 0.030 . 1 . . . . 96 VAL HG2 . 10322 1 1040 . 1 1 96 96 VAL C C 13 173.335 0.300 . 1 . . . . 96 VAL C . 10322 1 1041 . 1 1 96 96 VAL CA C 13 59.184 0.300 . 1 . . . . 96 VAL CA . 10322 1 1042 . 1 1 96 96 VAL CB C 13 35.746 0.300 . 1 . . . . 96 VAL CB . 10322 1 1043 . 1 1 96 96 VAL CG1 C 13 20.477 0.300 . 2 . . . . 96 VAL CG1 . 10322 1 1044 . 1 1 96 96 VAL CG2 C 13 20.194 0.300 . 2 . . . . 96 VAL CG2 . 10322 1 1045 . 1 1 96 96 VAL N N 15 131.854 0.300 . 1 . . . . 96 VAL N . 10322 1 1046 . 1 1 97 97 PRO HA H 1 4.986 0.030 . 1 . . . . 97 PRO HA . 10322 1 1047 . 1 1 97 97 PRO HB2 H 1 1.833 0.030 . 2 . . . . 97 PRO HB2 . 10322 1 1048 . 1 1 97 97 PRO HB3 H 1 2.207 0.030 . 2 . . . . 97 PRO HB3 . 10322 1 1049 . 1 1 97 97 PRO HD2 H 1 3.703 0.030 . 2 . . . . 97 PRO HD2 . 10322 1 1050 . 1 1 97 97 PRO HD3 H 1 4.116 0.030 . 2 . . . . 97 PRO HD3 . 10322 1 1051 . 1 1 97 97 PRO HG2 H 1 2.094 0.030 . 2 . . . . 97 PRO HG2 . 10322 1 1052 . 1 1 97 97 PRO HG3 H 1 2.299 0.030 . 2 . . . . 97 PRO HG3 . 10322 1 1053 . 1 1 97 97 PRO C C 13 176.336 0.300 . 1 . . . . 97 PRO C . 10322 1 1054 . 1 1 97 97 PRO CA C 13 62.061 0.300 . 1 . . . . 97 PRO CA . 10322 1 1055 . 1 1 97 97 PRO CB C 13 32.102 0.300 . 1 . . . . 97 PRO CB . 10322 1 1056 . 1 1 97 97 PRO CD C 13 50.948 0.300 . 1 . . . . 97 PRO CD . 10322 1 1057 . 1 1 97 97 PRO CG C 13 27.143 0.300 . 1 . . . . 97 PRO CG . 10322 1 1058 . 1 1 98 98 VAL H H 1 9.140 0.030 . 1 . . . . 98 VAL H . 10322 1 1059 . 1 1 98 98 VAL HA H 1 4.344 0.030 . 1 . . . . 98 VAL HA . 10322 1 1060 . 1 1 98 98 VAL HB H 1 2.188 0.030 . 1 . . . . 98 VAL HB . 10322 1 1061 . 1 1 98 98 VAL HG11 H 1 0.355 0.030 . 1 . . . . 98 VAL HG1 . 10322 1 1062 . 1 1 98 98 VAL HG12 H 1 0.355 0.030 . 1 . . . . 98 VAL HG1 . 10322 1 1063 . 1 1 98 98 VAL HG13 H 1 0.355 0.030 . 1 . . . . 98 VAL HG1 . 10322 1 1064 . 1 1 98 98 VAL HG21 H 1 0.407 0.030 . 1 . . . . 98 VAL HG2 . 10322 1 1065 . 1 1 98 98 VAL HG22 H 1 0.407 0.030 . 1 . . . . 98 VAL HG2 . 10322 1 1066 . 1 1 98 98 VAL HG23 H 1 0.407 0.030 . 1 . . . . 98 VAL HG2 . 10322 1 1067 . 1 1 98 98 VAL C C 13 176.750 0.300 . 1 . . . . 98 VAL C . 10322 1 1068 . 1 1 98 98 VAL CA C 13 60.509 0.300 . 1 . . . . 98 VAL CA . 10322 1 1069 . 1 1 98 98 VAL CB C 13 32.163 0.300 . 1 . . . . 98 VAL CB . 10322 1 1070 . 1 1 98 98 VAL CG1 C 13 23.251 0.300 . 2 . . . . 98 VAL CG1 . 10322 1 1071 . 1 1 98 98 VAL CG2 C 13 22.902 0.300 . 2 . . . . 98 VAL CG2 . 10322 1 1072 . 1 1 98 98 VAL N N 15 124.581 0.300 . 1 . . . . 98 VAL N . 10322 1 1073 . 1 1 99 99 LYS H H 1 8.262 0.030 . 1 . . . . 99 LYS H . 10322 1 1074 . 1 1 99 99 LYS HA H 1 4.729 0.030 . 1 . . . . 99 LYS HA . 10322 1 1075 . 1 1 99 99 LYS HB2 H 1 1.642 0.030 . 2 . . . . 99 LYS HB2 . 10322 1 1076 . 1 1 99 99 LYS HB3 H 1 1.931 0.030 . 2 . . . . 99 LYS HB3 . 10322 1 1077 . 1 1 99 99 LYS HD2 H 1 1.615 0.030 . 2 . . . . 99 LYS HD2 . 10322 1 1078 . 1 1 99 99 LYS HD3 H 1 1.677 0.030 . 2 . . . . 99 LYS HD3 . 10322 1 1079 . 1 1 99 99 LYS HE2 H 1 2.901 0.030 . 1 . . . . 99 LYS HE2 . 10322 1 1080 . 1 1 99 99 LYS HE3 H 1 2.901 0.030 . 1 . . . . 99 LYS HE3 . 10322 1 1081 . 1 1 99 99 LYS HG2 H 1 1.327 0.030 . 1 . . . . 99 LYS HG2 . 10322 1 1082 . 1 1 99 99 LYS HG3 H 1 1.327 0.030 . 1 . . . . 99 LYS HG3 . 10322 1 1083 . 1 1 99 99 LYS C C 13 175.734 0.300 . 1 . . . . 99 LYS C . 10322 1 1084 . 1 1 99 99 LYS CA C 13 54.328 0.300 . 1 . . . . 99 LYS CA . 10322 1 1085 . 1 1 99 99 LYS CB C 13 35.989 0.300 . 1 . . . . 99 LYS CB . 10322 1 1086 . 1 1 99 99 LYS CD C 13 29.181 0.300 . 1 . . . . 99 LYS CD . 10322 1 1087 . 1 1 99 99 LYS CE C 13 42.176 0.300 . 1 . . . . 99 LYS CE . 10322 1 1088 . 1 1 99 99 LYS CG C 13 24.845 0.300 . 1 . . . . 99 LYS CG . 10322 1 1089 . 1 1 99 99 LYS N N 15 127.809 0.300 . 1 . . . . 99 LYS N . 10322 1 1090 . 1 1 100 100 ASP H H 1 8.584 0.030 . 1 . . . . 100 ASP H . 10322 1 1091 . 1 1 100 100 ASP HA H 1 4.998 0.030 . 1 . . . . 100 ASP HA . 10322 1 1092 . 1 1 100 100 ASP HB2 H 1 2.399 0.030 . 2 . . . . 100 ASP HB2 . 10322 1 1093 . 1 1 100 100 ASP HB3 H 1 2.629 0.030 . 2 . . . . 100 ASP HB3 . 10322 1 1094 . 1 1 100 100 ASP C C 13 176.704 0.300 . 1 . . . . 100 ASP C . 10322 1 1095 . 1 1 100 100 ASP CA C 13 53.808 0.300 . 1 . . . . 100 ASP CA . 10322 1 1096 . 1 1 100 100 ASP CB C 13 41.878 0.300 . 1 . . . . 100 ASP CB . 10322 1 1097 . 1 1 100 100 ASP N N 15 120.101 0.300 . 1 . . . . 100 ASP N . 10322 1 1098 . 1 1 101 101 VAL H H 1 8.508 0.030 . 1 . . . . 101 VAL H . 10322 1 1099 . 1 1 101 101 VAL HA H 1 4.047 0.030 . 1 . . . . 101 VAL HA . 10322 1 1100 . 1 1 101 101 VAL HB H 1 1.949 0.030 . 1 . . . . 101 VAL HB . 10322 1 1101 . 1 1 101 101 VAL HG11 H 1 0.832 0.030 . 1 . . . . 101 VAL HG1 . 10322 1 1102 . 1 1 101 101 VAL HG12 H 1 0.832 0.030 . 1 . . . . 101 VAL HG1 . 10322 1 1103 . 1 1 101 101 VAL HG13 H 1 0.832 0.030 . 1 . . . . 101 VAL HG1 . 10322 1 1104 . 1 1 101 101 VAL HG21 H 1 0.771 0.030 . 1 . . . . 101 VAL HG2 . 10322 1 1105 . 1 1 101 101 VAL HG22 H 1 0.771 0.030 . 1 . . . . 101 VAL HG2 . 10322 1 1106 . 1 1 101 101 VAL HG23 H 1 0.771 0.030 . 1 . . . . 101 VAL HG2 . 10322 1 1107 . 1 1 101 101 VAL C C 13 175.679 0.300 . 1 . . . . 101 VAL C . 10322 1 1108 . 1 1 101 101 VAL CA C 13 62.348 0.300 . 1 . . . . 101 VAL CA . 10322 1 1109 . 1 1 101 101 VAL CB C 13 32.923 0.300 . 1 . . . . 101 VAL CB . 10322 1 1110 . 1 1 101 101 VAL CG1 C 13 21.264 0.300 . 2 . . . . 101 VAL CG1 . 10322 1 1111 . 1 1 101 101 VAL CG2 C 13 21.170 0.300 . 2 . . . . 101 VAL CG2 . 10322 1 1112 . 1 1 101 101 VAL N N 15 120.864 0.300 . 1 . . . . 101 VAL N . 10322 1 1113 . 1 1 102 102 VAL H H 1 8.184 0.030 . 1 . . . . 102 VAL H . 10322 1 1114 . 1 1 102 102 VAL HA H 1 4.050 0.030 . 1 . . . . 102 VAL HA . 10322 1 1115 . 1 1 102 102 VAL HB H 1 1.945 0.030 . 1 . . . . 102 VAL HB . 10322 1 1116 . 1 1 102 102 VAL HG11 H 1 0.832 0.030 . 1 . . . . 102 VAL HG1 . 10322 1 1117 . 1 1 102 102 VAL HG12 H 1 0.832 0.030 . 1 . . . . 102 VAL HG1 . 10322 1 1118 . 1 1 102 102 VAL HG13 H 1 0.832 0.030 . 1 . . . . 102 VAL HG1 . 10322 1 1119 . 1 1 102 102 VAL HG21 H 1 0.772 0.030 . 1 . . . . 102 VAL HG2 . 10322 1 1120 . 1 1 102 102 VAL HG22 H 1 0.772 0.030 . 1 . . . . 102 VAL HG2 . 10322 1 1121 . 1 1 102 102 VAL HG23 H 1 0.772 0.030 . 1 . . . . 102 VAL HG2 . 10322 1 1122 . 1 1 102 102 VAL C C 13 175.535 0.300 . 1 . . . . 102 VAL C . 10322 1 1123 . 1 1 102 102 VAL CA C 13 61.802 0.300 . 1 . . . . 102 VAL CA . 10322 1 1124 . 1 1 102 102 VAL CB C 13 32.950 0.300 . 1 . . . . 102 VAL CB . 10322 1 1125 . 1 1 102 102 VAL CG1 C 13 21.119 0.300 . 2 . . . . 102 VAL CG1 . 10322 1 1126 . 1 1 102 102 VAL CG2 C 13 21.163 0.300 . 2 . . . . 102 VAL CG2 . 10322 1 1127 . 1 1 102 102 VAL N N 15 124.929 0.300 . 1 . . . . 102 VAL N . 10322 1 1128 . 1 1 103 103 ASP H H 1 8.428 0.030 . 1 . . . . 103 ASP H . 10322 1 1129 . 1 1 103 103 ASP HA H 1 4.791 0.030 . 1 . . . . 103 ASP HA . 10322 1 1130 . 1 1 103 103 ASP HB2 H 1 2.427 0.030 . 2 . . . . 103 ASP HB2 . 10322 1 1131 . 1 1 103 103 ASP HB3 H 1 2.670 0.030 . 2 . . . . 103 ASP HB3 . 10322 1 1132 . 1 1 103 103 ASP C C 13 174.296 0.300 . 1 . . . . 103 ASP C . 10322 1 1133 . 1 1 103 103 ASP CA C 13 52.551 0.300 . 1 . . . . 103 ASP CA . 10322 1 1134 . 1 1 103 103 ASP CB C 13 40.646 0.300 . 1 . . . . 103 ASP CB . 10322 1 1135 . 1 1 103 103 ASP N N 15 126.358 0.300 . 1 . . . . 103 ASP N . 10322 1 1136 . 1 1 104 104 PRO HA H 1 4.409 0.030 . 1 . . . . 104 PRO HA . 10322 1 1137 . 1 1 104 104 PRO HB2 H 1 1.975 0.030 . 2 . . . . 104 PRO HB2 . 10322 1 1138 . 1 1 104 104 PRO HB3 H 1 2.185 0.030 . 2 . . . . 104 PRO HB3 . 10322 1 1139 . 1 1 104 104 PRO HD2 H 1 3.690 0.030 . 2 . . . . 104 PRO HD2 . 10322 1 1140 . 1 1 104 104 PRO HD3 H 1 3.790 0.030 . 2 . . . . 104 PRO HD3 . 10322 1 1141 . 1 1 104 104 PRO HG2 H 1 1.958 0.030 . 1 . . . . 104 PRO HG2 . 10322 1 1142 . 1 1 104 104 PRO HG3 H 1 1.958 0.030 . 1 . . . . 104 PRO HG3 . 10322 1 1143 . 1 1 104 104 PRO C C 13 176.173 0.300 . 1 . . . . 104 PRO C . 10322 1 1144 . 1 1 104 104 PRO CA C 13 63.290 0.300 . 1 . . . . 104 PRO CA . 10322 1 1145 . 1 1 104 104 PRO CB C 13 31.901 0.300 . 1 . . . . 104 PRO CB . 10322 1 1146 . 1 1 104 104 PRO CD C 13 50.608 0.300 . 1 . . . . 104 PRO CD . 10322 1 1147 . 1 1 104 104 PRO CG C 13 27.011 0.300 . 1 . . . . 104 PRO CG . 10322 1 1148 . 1 1 105 105 SER H H 1 7.996 0.030 . 1 . . . . 105 SER H . 10322 1 1149 . 1 1 105 105 SER HA H 1 4.151 0.030 . 1 . . . . 105 SER HA . 10322 1 1150 . 1 1 105 105 SER HB2 H 1 3.787 0.030 . 1 . . . . 105 SER HB2 . 10322 1 1151 . 1 1 105 105 SER HB3 H 1 3.787 0.030 . 1 . . . . 105 SER HB3 . 10322 1 1152 . 1 1 105 105 SER C C 13 178.748 0.300 . 1 . . . . 105 SER C . 10322 1 1153 . 1 1 105 105 SER CA C 13 60.216 0.300 . 1 . . . . 105 SER CA . 10322 1 1154 . 1 1 105 105 SER CB C 13 64.756 0.300 . 1 . . . . 105 SER CB . 10322 1 1155 . 1 1 105 105 SER N N 15 122.237 0.300 . 1 . . . . 105 SER N . 10322 1 stop_ save_