data_10324 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10324 _Entry.Title ; Solution structure of the 20th 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 . . . 10324 2 S. Koshiba . . . 10324 3 S. Watanabe . . . 10324 4 T. Harada . . . 10324 5 T. Kigawa . . . 10324 6 S. Yokoyama . . . 10324 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' 10324 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10324 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 10324 '15N chemical shifts' 89 10324 '1H chemical shifts' 613 10324 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 . 10324 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DLG 'BMRB Entry Tracking System' 10324 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10324 _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 20th 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 . . . 10324 1 2 S. Koshiba . . . 10324 1 3 S. Watanabe . . . 10324 1 4 T. Harada . . . 10324 1 5 T. Kigawa . . . 10324 1 6 S. Yokoyama . . . 10324 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10324 _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 . . . 10324 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 2DLG . . . . . . 10324 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10324 _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 ; GSSGSSGRAPSVATVGSICD LNLKIPEINSSDMSAHVTSP SGRVTEAEIVPMGKNSHCVR FVPQEMGVHTVSVKYRGQHV TGSPFQFTVGPLGEGGSGPS SG ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DLG . "Solution Structure Of The 20th Filamin Domain From Human Filamin-B" . . . . . 100.00 102 100.00 100.00 1.42e-64 . . . . 10324 1 2 no GB AAL68442 . "filamin B [Homo sapiens]" . . . . . 82.35 133 97.62 98.81 4.14e-51 . . . . 10324 1 3 no GB AAL68443 . "filamin B variant 1 [Homo sapiens]" . . . . . 63.73 92 98.46 100.00 1.05e-37 . . . . 10324 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10324 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 . 10324 1 2 . SER . 10324 1 3 . SER . 10324 1 4 . GLY . 10324 1 5 . SER . 10324 1 6 . SER . 10324 1 7 . GLY . 10324 1 8 . ARG . 10324 1 9 . ALA . 10324 1 10 . PRO . 10324 1 11 . SER . 10324 1 12 . VAL . 10324 1 13 . ALA . 10324 1 14 . THR . 10324 1 15 . VAL . 10324 1 16 . GLY . 10324 1 17 . SER . 10324 1 18 . ILE . 10324 1 19 . CYS . 10324 1 20 . ASP . 10324 1 21 . LEU . 10324 1 22 . ASN . 10324 1 23 . LEU . 10324 1 24 . LYS . 10324 1 25 . ILE . 10324 1 26 . PRO . 10324 1 27 . GLU . 10324 1 28 . ILE . 10324 1 29 . ASN . 10324 1 30 . SER . 10324 1 31 . SER . 10324 1 32 . ASP . 10324 1 33 . MET . 10324 1 34 . SER . 10324 1 35 . ALA . 10324 1 36 . HIS . 10324 1 37 . VAL . 10324 1 38 . THR . 10324 1 39 . SER . 10324 1 40 . PRO . 10324 1 41 . SER . 10324 1 42 . GLY . 10324 1 43 . ARG . 10324 1 44 . VAL . 10324 1 45 . THR . 10324 1 46 . GLU . 10324 1 47 . ALA . 10324 1 48 . GLU . 10324 1 49 . ILE . 10324 1 50 . VAL . 10324 1 51 . PRO . 10324 1 52 . MET . 10324 1 53 . GLY . 10324 1 54 . LYS . 10324 1 55 . ASN . 10324 1 56 . SER . 10324 1 57 . HIS . 10324 1 58 . CYS . 10324 1 59 . VAL . 10324 1 60 . ARG . 10324 1 61 . PHE . 10324 1 62 . VAL . 10324 1 63 . PRO . 10324 1 64 . GLN . 10324 1 65 . GLU . 10324 1 66 . MET . 10324 1 67 . GLY . 10324 1 68 . VAL . 10324 1 69 . HIS . 10324 1 70 . THR . 10324 1 71 . VAL . 10324 1 72 . SER . 10324 1 73 . VAL . 10324 1 74 . LYS . 10324 1 75 . TYR . 10324 1 76 . ARG . 10324 1 77 . GLY . 10324 1 78 . GLN . 10324 1 79 . HIS . 10324 1 80 . VAL . 10324 1 81 . THR . 10324 1 82 . GLY . 10324 1 83 . SER . 10324 1 84 . PRO . 10324 1 85 . PHE . 10324 1 86 . GLN . 10324 1 87 . PHE . 10324 1 88 . THR . 10324 1 89 . VAL . 10324 1 90 . GLY . 10324 1 91 . PRO . 10324 1 92 . LEU . 10324 1 93 . GLY . 10324 1 94 . GLU . 10324 1 95 . GLY . 10324 1 96 . GLY . 10324 1 97 . SER . 10324 1 98 . GLY . 10324 1 99 . PRO . 10324 1 100 . SER . 10324 1 101 . SER . 10324 1 102 . GLY . 10324 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 10324 1 . SER 2 2 10324 1 . SER 3 3 10324 1 . GLY 4 4 10324 1 . SER 5 5 10324 1 . SER 6 6 10324 1 . GLY 7 7 10324 1 . ARG 8 8 10324 1 . ALA 9 9 10324 1 . PRO 10 10 10324 1 . SER 11 11 10324 1 . VAL 12 12 10324 1 . ALA 13 13 10324 1 . THR 14 14 10324 1 . VAL 15 15 10324 1 . GLY 16 16 10324 1 . SER 17 17 10324 1 . ILE 18 18 10324 1 . CYS 19 19 10324 1 . ASP 20 20 10324 1 . LEU 21 21 10324 1 . ASN 22 22 10324 1 . LEU 23 23 10324 1 . LYS 24 24 10324 1 . ILE 25 25 10324 1 . PRO 26 26 10324 1 . GLU 27 27 10324 1 . ILE 28 28 10324 1 . ASN 29 29 10324 1 . SER 30 30 10324 1 . SER 31 31 10324 1 . ASP 32 32 10324 1 . MET 33 33 10324 1 . SER 34 34 10324 1 . ALA 35 35 10324 1 . HIS 36 36 10324 1 . VAL 37 37 10324 1 . THR 38 38 10324 1 . SER 39 39 10324 1 . PRO 40 40 10324 1 . SER 41 41 10324 1 . GLY 42 42 10324 1 . ARG 43 43 10324 1 . VAL 44 44 10324 1 . THR 45 45 10324 1 . GLU 46 46 10324 1 . ALA 47 47 10324 1 . GLU 48 48 10324 1 . ILE 49 49 10324 1 . VAL 50 50 10324 1 . PRO 51 51 10324 1 . MET 52 52 10324 1 . GLY 53 53 10324 1 . LYS 54 54 10324 1 . ASN 55 55 10324 1 . SER 56 56 10324 1 . HIS 57 57 10324 1 . CYS 58 58 10324 1 . VAL 59 59 10324 1 . ARG 60 60 10324 1 . PHE 61 61 10324 1 . VAL 62 62 10324 1 . PRO 63 63 10324 1 . GLN 64 64 10324 1 . GLU 65 65 10324 1 . MET 66 66 10324 1 . GLY 67 67 10324 1 . VAL 68 68 10324 1 . HIS 69 69 10324 1 . THR 70 70 10324 1 . VAL 71 71 10324 1 . SER 72 72 10324 1 . VAL 73 73 10324 1 . LYS 74 74 10324 1 . TYR 75 75 10324 1 . ARG 76 76 10324 1 . GLY 77 77 10324 1 . GLN 78 78 10324 1 . HIS 79 79 10324 1 . VAL 80 80 10324 1 . THR 81 81 10324 1 . GLY 82 82 10324 1 . SER 83 83 10324 1 . PRO 84 84 10324 1 . PHE 85 85 10324 1 . GLN 86 86 10324 1 . PHE 87 87 10324 1 . THR 88 88 10324 1 . VAL 89 89 10324 1 . GLY 90 90 10324 1 . PRO 91 91 10324 1 . LEU 92 92 10324 1 . GLY 93 93 10324 1 . GLU 94 94 10324 1 . GLY 95 95 10324 1 . GLY 96 96 10324 1 . SER 97 97 10324 1 . GLY 98 98 10324 1 . PRO 99 99 10324 1 . SER 100 100 10324 1 . SER 101 101 10324 1 . GLY 102 102 10324 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 10324 _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 . . . . . . . . . . . . . . . . . . . . . 10324 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 10324 _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 . . P051205-17 . . . . . . 10324 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10324 _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 1.14 . . mM . . . . 10324 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 10324 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 10324 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 10324 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 10324 1 6 H2O . . . . . . solvent 90 . . % . . . . 10324 1 7 D2O . . . . . . solvent 10 . . % . . . . 10324 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 10324 _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 10324 1 pH 7.0 0.05 pH 10324 1 pressure 1 0.001 atm 10324 1 temperature 298 0.1 K 10324 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10324 _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 . . 10324 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10324 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10324 _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.' . . 10324 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10324 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10324 _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.' . . 10324 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10324 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10324 _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.' . . 10324 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10324 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10324 _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.' . . 10324 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10324 5 'structure solution' 10324 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 10324 _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 10324 _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 . . . 10324 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 10324 _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 . . . . . . . . . . . . . . . . 10324 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10324 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 10324 _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 . . . . . . . . . 10324 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10324 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10324 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 10324 _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 10324 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10324 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 7 7 GLY HA2 H 1 3.926 0.030 . 1 . . . . 7 GLY HA2 . 10324 1 2 . 1 1 7 7 GLY HA3 H 1 3.926 0.030 . 1 . . . . 7 GLY HA3 . 10324 1 3 . 1 1 7 7 GLY C C 13 173.753 0.300 . 1 . . . . 7 GLY C . 10324 1 4 . 1 1 7 7 GLY CA C 13 45.276 0.300 . 1 . . . . 7 GLY CA . 10324 1 5 . 1 1 8 8 ARG H H 1 8.096 0.030 . 1 . . . . 8 ARG H . 10324 1 6 . 1 1 8 8 ARG HA H 1 4.327 0.030 . 1 . . . . 8 ARG HA . 10324 1 7 . 1 1 8 8 ARG HB2 H 1 1.785 0.030 . 2 . . . . 8 ARG HB2 . 10324 1 8 . 1 1 8 8 ARG HB3 H 1 1.675 0.030 . 2 . . . . 8 ARG HB3 . 10324 1 9 . 1 1 8 8 ARG HD2 H 1 3.138 0.030 . 1 . . . . 8 ARG HD2 . 10324 1 10 . 1 1 8 8 ARG HD3 H 1 3.138 0.030 . 1 . . . . 8 ARG HD3 . 10324 1 11 . 1 1 8 8 ARG HG2 H 1 1.578 0.030 . 1 . . . . 8 ARG HG2 . 10324 1 12 . 1 1 8 8 ARG HG3 H 1 1.578 0.030 . 1 . . . . 8 ARG HG3 . 10324 1 13 . 1 1 8 8 ARG C C 13 175.634 0.300 . 1 . . . . 8 ARG C . 10324 1 14 . 1 1 8 8 ARG CA C 13 55.568 0.300 . 1 . . . . 8 ARG CA . 10324 1 15 . 1 1 8 8 ARG CB C 13 31.175 0.300 . 1 . . . . 8 ARG CB . 10324 1 16 . 1 1 8 8 ARG CD C 13 43.297 0.300 . 1 . . . . 8 ARG CD . 10324 1 17 . 1 1 8 8 ARG CG C 13 26.956 0.300 . 1 . . . . 8 ARG CG . 10324 1 18 . 1 1 8 8 ARG N N 15 120.439 0.300 . 1 . . . . 8 ARG N . 10324 1 19 . 1 1 9 9 ALA H H 1 8.394 0.030 . 1 . . . . 9 ALA H . 10324 1 20 . 1 1 9 9 ALA HA H 1 4.537 0.030 . 1 . . . . 9 ALA HA . 10324 1 21 . 1 1 9 9 ALA HB1 H 1 1.338 0.030 . 1 . . . . 9 ALA HB . 10324 1 22 . 1 1 9 9 ALA HB2 H 1 1.338 0.030 . 1 . . . . 9 ALA HB . 10324 1 23 . 1 1 9 9 ALA HB3 H 1 1.338 0.030 . 1 . . . . 9 ALA HB . 10324 1 24 . 1 1 9 9 ALA C C 13 175.473 0.300 . 1 . . . . 9 ALA C . 10324 1 25 . 1 1 9 9 ALA CA C 13 50.511 0.300 . 1 . . . . 9 ALA CA . 10324 1 26 . 1 1 9 9 ALA CB C 13 18.019 0.300 . 1 . . . . 9 ALA CB . 10324 1 27 . 1 1 9 9 ALA N N 15 126.963 0.300 . 1 . . . . 9 ALA N . 10324 1 28 . 1 1 10 10 PRO HA H 1 4.387 0.030 . 1 . . . . 10 PRO HA . 10324 1 29 . 1 1 10 10 PRO HB2 H 1 1.831 0.030 . 2 . . . . 10 PRO HB2 . 10324 1 30 . 1 1 10 10 PRO HB3 H 1 2.219 0.030 . 2 . . . . 10 PRO HB3 . 10324 1 31 . 1 1 10 10 PRO HD2 H 1 3.682 0.030 . 2 . . . . 10 PRO HD2 . 10324 1 32 . 1 1 10 10 PRO HD3 H 1 3.544 0.030 . 2 . . . . 10 PRO HD3 . 10324 1 33 . 1 1 10 10 PRO HG2 H 1 1.832 0.030 . 2 . . . . 10 PRO HG2 . 10324 1 34 . 1 1 10 10 PRO HG3 H 1 1.879 0.030 . 2 . . . . 10 PRO HG3 . 10324 1 35 . 1 1 10 10 PRO C C 13 176.867 0.300 . 1 . . . . 10 PRO C . 10324 1 36 . 1 1 10 10 PRO CA C 13 63.167 0.300 . 1 . . . . 10 PRO CA . 10324 1 37 . 1 1 10 10 PRO CB C 13 32.142 0.300 . 1 . . . . 10 PRO CB . 10324 1 38 . 1 1 10 10 PRO CD C 13 50.348 0.300 . 1 . . . . 10 PRO CD . 10324 1 39 . 1 1 10 10 PRO CG C 13 27.458 0.300 . 1 . . . . 10 PRO CG . 10324 1 40 . 1 1 11 11 SER H H 1 8.437 0.030 . 1 . . . . 11 SER H . 10324 1 41 . 1 1 11 11 SER HA H 1 4.416 0.030 . 1 . . . . 11 SER HA . 10324 1 42 . 1 1 11 11 SER HB2 H 1 3.824 0.030 . 1 . . . . 11 SER HB2 . 10324 1 43 . 1 1 11 11 SER HB3 H 1 3.824 0.030 . 1 . . . . 11 SER HB3 . 10324 1 44 . 1 1 11 11 SER C C 13 174.408 0.300 . 1 . . . . 11 SER C . 10324 1 45 . 1 1 11 11 SER CA C 13 58.722 0.300 . 1 . . . . 11 SER CA . 10324 1 46 . 1 1 11 11 SER CB C 13 63.812 0.300 . 1 . . . . 11 SER CB . 10324 1 47 . 1 1 11 11 SER N N 15 116.416 0.300 . 1 . . . . 11 SER N . 10324 1 48 . 1 1 12 12 VAL H H 1 8.084 0.030 . 1 . . . . 12 VAL H . 10324 1 49 . 1 1 12 12 VAL HA H 1 4.254 0.030 . 1 . . . . 12 VAL HA . 10324 1 50 . 1 1 12 12 VAL HB H 1 2.076 0.030 . 1 . . . . 12 VAL HB . 10324 1 51 . 1 1 12 12 VAL HG11 H 1 0.874 0.030 . 1 . . . . 12 VAL HG1 . 10324 1 52 . 1 1 12 12 VAL HG12 H 1 0.874 0.030 . 1 . . . . 12 VAL HG1 . 10324 1 53 . 1 1 12 12 VAL HG13 H 1 0.874 0.030 . 1 . . . . 12 VAL HG1 . 10324 1 54 . 1 1 12 12 VAL HG21 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 10324 1 55 . 1 1 12 12 VAL HG22 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 10324 1 56 . 1 1 12 12 VAL HG23 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 10324 1 57 . 1 1 12 12 VAL C C 13 175.122 0.300 . 1 . . . . 12 VAL C . 10324 1 58 . 1 1 12 12 VAL CA C 13 61.699 0.300 . 1 . . . . 12 VAL CA . 10324 1 59 . 1 1 12 12 VAL CB C 13 33.233 0.300 . 1 . . . . 12 VAL CB . 10324 1 60 . 1 1 12 12 VAL CG1 C 13 21.186 0.300 . 2 . . . . 12 VAL CG1 . 10324 1 61 . 1 1 12 12 VAL CG2 C 13 20.368 0.300 . 2 . . . . 12 VAL CG2 . 10324 1 62 . 1 1 12 12 VAL N N 15 120.456 0.300 . 1 . . . . 12 VAL N . 10324 1 63 . 1 1 13 13 ALA H H 1 8.376 0.030 . 1 . . . . 13 ALA H . 10324 1 64 . 1 1 13 13 ALA HA H 1 4.537 0.030 . 1 . . . . 13 ALA HA . 10324 1 65 . 1 1 13 13 ALA HB1 H 1 1.445 0.030 . 1 . . . . 13 ALA HB . 10324 1 66 . 1 1 13 13 ALA HB2 H 1 1.445 0.030 . 1 . . . . 13 ALA HB . 10324 1 67 . 1 1 13 13 ALA HB3 H 1 1.445 0.030 . 1 . . . . 13 ALA HB . 10324 1 68 . 1 1 13 13 ALA C C 13 176.173 0.300 . 1 . . . . 13 ALA C . 10324 1 69 . 1 1 13 13 ALA CA C 13 51.764 0.300 . 1 . . . . 13 ALA CA . 10324 1 70 . 1 1 13 13 ALA CB C 13 20.973 0.300 . 1 . . . . 13 ALA CB . 10324 1 71 . 1 1 13 13 ALA N N 15 127.929 0.300 . 1 . . . . 13 ALA N . 10324 1 72 . 1 1 14 14 THR H H 1 8.317 0.030 . 1 . . . . 14 THR H . 10324 1 73 . 1 1 14 14 THR HA H 1 4.615 0.030 . 1 . . . . 14 THR HA . 10324 1 74 . 1 1 14 14 THR HB H 1 3.849 0.030 . 1 . . . . 14 THR HB . 10324 1 75 . 1 1 14 14 THR HG21 H 1 1.078 0.030 . 1 . . . . 14 THR HG2 . 10324 1 76 . 1 1 14 14 THR HG22 H 1 1.078 0.030 . 1 . . . . 14 THR HG2 . 10324 1 77 . 1 1 14 14 THR HG23 H 1 1.078 0.030 . 1 . . . . 14 THR HG2 . 10324 1 78 . 1 1 14 14 THR C C 13 173.977 0.300 . 1 . . . . 14 THR C . 10324 1 79 . 1 1 14 14 THR CA C 13 60.408 0.300 . 1 . . . . 14 THR CA . 10324 1 80 . 1 1 14 14 THR CB C 13 72.021 0.300 . 1 . . . . 14 THR CB . 10324 1 81 . 1 1 14 14 THR CG2 C 13 21.555 0.300 . 1 . . . . 14 THR CG2 . 10324 1 82 . 1 1 14 14 THR N N 15 115.130 0.300 . 1 . . . . 14 THR N . 10324 1 83 . 1 1 15 15 VAL H H 1 7.973 0.030 . 1 . . . . 15 VAL H . 10324 1 84 . 1 1 15 15 VAL HA H 1 3.223 0.030 . 1 . . . . 15 VAL HA . 10324 1 85 . 1 1 15 15 VAL HB H 1 1.751 0.030 . 1 . . . . 15 VAL HB . 10324 1 86 . 1 1 15 15 VAL HG11 H 1 0.858 0.030 . 1 . . . . 15 VAL HG1 . 10324 1 87 . 1 1 15 15 VAL HG12 H 1 0.858 0.030 . 1 . . . . 15 VAL HG1 . 10324 1 88 . 1 1 15 15 VAL HG13 H 1 0.858 0.030 . 1 . . . . 15 VAL HG1 . 10324 1 89 . 1 1 15 15 VAL HG21 H 1 0.753 0.030 . 1 . . . . 15 VAL HG2 . 10324 1 90 . 1 1 15 15 VAL HG22 H 1 0.753 0.030 . 1 . . . . 15 VAL HG2 . 10324 1 91 . 1 1 15 15 VAL HG23 H 1 0.753 0.030 . 1 . . . . 15 VAL HG2 . 10324 1 92 . 1 1 15 15 VAL C C 13 176.717 0.300 . 1 . . . . 15 VAL C . 10324 1 93 . 1 1 15 15 VAL CA C 13 64.594 0.300 . 1 . . . . 15 VAL CA . 10324 1 94 . 1 1 15 15 VAL CB C 13 32.014 0.300 . 1 . . . . 15 VAL CB . 10324 1 95 . 1 1 15 15 VAL CG1 C 13 21.808 0.300 . 2 . . . . 15 VAL CG1 . 10324 1 96 . 1 1 15 15 VAL CG2 C 13 22.112 0.300 . 2 . . . . 15 VAL CG2 . 10324 1 97 . 1 1 15 15 VAL N N 15 122.824 0.300 . 1 . . . . 15 VAL N . 10324 1 98 . 1 1 16 16 GLY H H 1 8.305 0.030 . 1 . . . . 16 GLY H . 10324 1 99 . 1 1 16 16 GLY HA2 H 1 3.466 0.030 . 2 . . . . 16 GLY HA2 . 10324 1 100 . 1 1 16 16 GLY HA3 H 1 4.118 0.030 . 2 . . . . 16 GLY HA3 . 10324 1 101 . 1 1 16 16 GLY C C 13 173.694 0.300 . 1 . . . . 16 GLY C . 10324 1 102 . 1 1 16 16 GLY CA C 13 45.489 0.300 . 1 . . . . 16 GLY CA . 10324 1 103 . 1 1 16 16 GLY N N 15 112.343 0.300 . 1 . . . . 16 GLY N . 10324 1 104 . 1 1 17 17 SER H H 1 7.699 0.030 . 1 . . . . 17 SER H . 10324 1 105 . 1 1 17 17 SER HA H 1 4.650 0.030 . 1 . . . . 17 SER HA . 10324 1 106 . 1 1 17 17 SER HB2 H 1 3.730 0.030 . 2 . . . . 17 SER HB2 . 10324 1 107 . 1 1 17 17 SER HB3 H 1 3.652 0.030 . 2 . . . . 17 SER HB3 . 10324 1 108 . 1 1 17 17 SER C C 13 172.466 0.300 . 1 . . . . 17 SER C . 10324 1 109 . 1 1 17 17 SER CA C 13 57.164 0.300 . 1 . . . . 17 SER CA . 10324 1 110 . 1 1 17 17 SER CB C 13 65.233 0.300 . 1 . . . . 17 SER CB . 10324 1 111 . 1 1 17 17 SER N N 15 116.501 0.300 . 1 . . . . 17 SER N . 10324 1 112 . 1 1 18 18 ILE H H 1 8.326 0.030 . 1 . . . . 18 ILE H . 10324 1 113 . 1 1 18 18 ILE HA H 1 3.631 0.030 . 1 . . . . 18 ILE HA . 10324 1 114 . 1 1 18 18 ILE HB H 1 1.552 0.030 . 1 . . . . 18 ILE HB . 10324 1 115 . 1 1 18 18 ILE HD11 H 1 0.712 0.030 . 1 . . . . 18 ILE HD1 . 10324 1 116 . 1 1 18 18 ILE HD12 H 1 0.712 0.030 . 1 . . . . 18 ILE HD1 . 10324 1 117 . 1 1 18 18 ILE HD13 H 1 0.712 0.030 . 1 . . . . 18 ILE HD1 . 10324 1 118 . 1 1 18 18 ILE HG12 H 1 0.887 0.030 . 2 . . . . 18 ILE HG12 . 10324 1 119 . 1 1 18 18 ILE HG13 H 1 1.476 0.030 . 2 . . . . 18 ILE HG13 . 10324 1 120 . 1 1 18 18 ILE HG21 H 1 0.642 0.030 . 1 . . . . 18 ILE HG2 . 10324 1 121 . 1 1 18 18 ILE HG22 H 1 0.642 0.030 . 1 . . . . 18 ILE HG2 . 10324 1 122 . 1 1 18 18 ILE HG23 H 1 0.642 0.030 . 1 . . . . 18 ILE HG2 . 10324 1 123 . 1 1 18 18 ILE C C 13 175.617 0.300 . 1 . . . . 18 ILE C . 10324 1 124 . 1 1 18 18 ILE CA C 13 63.025 0.300 . 1 . . . . 18 ILE CA . 10324 1 125 . 1 1 18 18 ILE CB C 13 38.172 0.300 . 1 . . . . 18 ILE CB . 10324 1 126 . 1 1 18 18 ILE CD1 C 13 13.312 0.300 . 1 . . . . 18 ILE CD1 . 10324 1 127 . 1 1 18 18 ILE CG1 C 13 28.322 0.300 . 1 . . . . 18 ILE CG1 . 10324 1 128 . 1 1 18 18 ILE CG2 C 13 17.846 0.300 . 1 . . . . 18 ILE CG2 . 10324 1 129 . 1 1 18 18 ILE N N 15 122.042 0.300 . 1 . . . . 18 ILE N . 10324 1 130 . 1 1 19 19 CYS H H 1 8.715 0.030 . 1 . . . . 19 CYS H . 10324 1 131 . 1 1 19 19 CYS HA H 1 4.413 0.030 . 1 . . . . 19 CYS HA . 10324 1 132 . 1 1 19 19 CYS HB2 H 1 1.921 0.030 . 2 . . . . 19 CYS HB2 . 10324 1 133 . 1 1 19 19 CYS HB3 H 1 2.037 0.030 . 2 . . . . 19 CYS HB3 . 10324 1 134 . 1 1 19 19 CYS C C 13 171.182 0.300 . 1 . . . . 19 CYS C . 10324 1 135 . 1 1 19 19 CYS CA C 13 58.118 0.300 . 1 . . . . 19 CYS CA . 10324 1 136 . 1 1 19 19 CYS CB C 13 28.477 0.300 . 1 . . . . 19 CYS CB . 10324 1 137 . 1 1 19 19 CYS N N 15 129.652 0.300 . 1 . . . . 19 CYS N . 10324 1 138 . 1 1 20 20 ASP H H 1 7.967 0.030 . 1 . . . . 20 ASP H . 10324 1 139 . 1 1 20 20 ASP HA H 1 5.258 0.030 . 1 . . . . 20 ASP HA . 10324 1 140 . 1 1 20 20 ASP HB2 H 1 2.327 0.030 . 2 . . . . 20 ASP HB2 . 10324 1 141 . 1 1 20 20 ASP HB3 H 1 2.286 0.030 . 2 . . . . 20 ASP HB3 . 10324 1 142 . 1 1 20 20 ASP C C 13 175.517 0.300 . 1 . . . . 20 ASP C . 10324 1 143 . 1 1 20 20 ASP CA C 13 52.591 0.300 . 1 . . . . 20 ASP CA . 10324 1 144 . 1 1 20 20 ASP CB C 13 43.296 0.300 . 1 . . . . 20 ASP CB . 10324 1 145 . 1 1 20 20 ASP N N 15 123.878 0.300 . 1 . . . . 20 ASP N . 10324 1 146 . 1 1 21 21 LEU H H 1 9.113 0.030 . 1 . . . . 21 LEU H . 10324 1 147 . 1 1 21 21 LEU HA H 1 4.459 0.030 . 1 . . . . 21 LEU HA . 10324 1 148 . 1 1 21 21 LEU HB2 H 1 1.493 0.030 . 2 . . . . 21 LEU HB2 . 10324 1 149 . 1 1 21 21 LEU HB3 H 1 1.273 0.030 . 2 . . . . 21 LEU HB3 . 10324 1 150 . 1 1 21 21 LEU HD11 H 1 0.476 0.030 . 1 . . . . 21 LEU HD1 . 10324 1 151 . 1 1 21 21 LEU HD12 H 1 0.476 0.030 . 1 . . . . 21 LEU HD1 . 10324 1 152 . 1 1 21 21 LEU HD13 H 1 0.476 0.030 . 1 . . . . 21 LEU HD1 . 10324 1 153 . 1 1 21 21 LEU HD21 H 1 0.270 0.030 . 1 . . . . 21 LEU HD2 . 10324 1 154 . 1 1 21 21 LEU HD22 H 1 0.270 0.030 . 1 . . . . 21 LEU HD2 . 10324 1 155 . 1 1 21 21 LEU HD23 H 1 0.270 0.030 . 1 . . . . 21 LEU HD2 . 10324 1 156 . 1 1 21 21 LEU HG H 1 1.190 0.030 . 1 . . . . 21 LEU HG . 10324 1 157 . 1 1 21 21 LEU C C 13 174.891 0.300 . 1 . . . . 21 LEU C . 10324 1 158 . 1 1 21 21 LEU CA C 13 53.565 0.300 . 1 . . . . 21 LEU CA . 10324 1 159 . 1 1 21 21 LEU CB C 13 43.171 0.300 . 1 . . . . 21 LEU CB . 10324 1 160 . 1 1 21 21 LEU CD1 C 13 24.052 0.300 . 2 . . . . 21 LEU CD1 . 10324 1 161 . 1 1 21 21 LEU CD2 C 13 24.799 0.300 . 2 . . . . 21 LEU CD2 . 10324 1 162 . 1 1 21 21 LEU CG C 13 26.875 0.300 . 1 . . . . 21 LEU CG . 10324 1 163 . 1 1 21 21 LEU N N 15 125.277 0.300 . 1 . . . . 21 LEU N . 10324 1 164 . 1 1 22 22 ASN H H 1 8.663 0.030 . 1 . . . . 22 ASN H . 10324 1 165 . 1 1 22 22 ASN HA H 1 5.030 0.030 . 1 . . . . 22 ASN HA . 10324 1 166 . 1 1 22 22 ASN HB2 H 1 2.605 0.030 . 2 . . . . 22 ASN HB2 . 10324 1 167 . 1 1 22 22 ASN HB3 H 1 2.554 0.030 . 2 . . . . 22 ASN HB3 . 10324 1 168 . 1 1 22 22 ASN HD21 H 1 7.244 0.030 . 2 . . . . 22 ASN HD21 . 10324 1 169 . 1 1 22 22 ASN HD22 H 1 6.783 0.030 . 2 . . . . 22 ASN HD22 . 10324 1 170 . 1 1 22 22 ASN C C 13 174.309 0.300 . 1 . . . . 22 ASN C . 10324 1 171 . 1 1 22 22 ASN CA C 13 53.596 0.300 . 1 . . . . 22 ASN CA . 10324 1 172 . 1 1 22 22 ASN CB C 13 39.760 0.300 . 1 . . . . 22 ASN CB . 10324 1 173 . 1 1 22 22 ASN N N 15 124.784 0.300 . 1 . . . . 22 ASN N . 10324 1 174 . 1 1 22 22 ASN ND2 N 15 111.650 0.300 . 1 . . . . 22 ASN ND2 . 10324 1 175 . 1 1 23 23 LEU H H 1 8.891 0.030 . 1 . . . . 23 LEU H . 10324 1 176 . 1 1 23 23 LEU HA H 1 4.591 0.030 . 1 . . . . 23 LEU HA . 10324 1 177 . 1 1 23 23 LEU HB2 H 1 1.235 0.030 . 2 . . . . 23 LEU HB2 . 10324 1 178 . 1 1 23 23 LEU HB3 H 1 1.478 0.030 . 2 . . . . 23 LEU HB3 . 10324 1 179 . 1 1 23 23 LEU HD11 H 1 0.570 0.030 . 1 . . . . 23 LEU HD1 . 10324 1 180 . 1 1 23 23 LEU HD12 H 1 0.570 0.030 . 1 . . . . 23 LEU HD1 . 10324 1 181 . 1 1 23 23 LEU HD13 H 1 0.570 0.030 . 1 . . . . 23 LEU HD1 . 10324 1 182 . 1 1 23 23 LEU HD21 H 1 0.431 0.030 . 1 . . . . 23 LEU HD2 . 10324 1 183 . 1 1 23 23 LEU HD22 H 1 0.431 0.030 . 1 . . . . 23 LEU HD2 . 10324 1 184 . 1 1 23 23 LEU HD23 H 1 0.431 0.030 . 1 . . . . 23 LEU HD2 . 10324 1 185 . 1 1 23 23 LEU HG H 1 1.385 0.030 . 1 . . . . 23 LEU HG . 10324 1 186 . 1 1 23 23 LEU C C 13 175.702 0.300 . 1 . . . . 23 LEU C . 10324 1 187 . 1 1 23 23 LEU CA C 13 53.701 0.300 . 1 . . . . 23 LEU CA . 10324 1 188 . 1 1 23 23 LEU CB C 13 45.577 0.300 . 1 . . . . 23 LEU CB . 10324 1 189 . 1 1 23 23 LEU CD1 C 13 26.540 0.300 . 2 . . . . 23 LEU CD1 . 10324 1 190 . 1 1 23 23 LEU CD2 C 13 23.378 0.300 . 2 . . . . 23 LEU CD2 . 10324 1 191 . 1 1 23 23 LEU CG C 13 26.671 0.300 . 1 . . . . 23 LEU CG . 10324 1 192 . 1 1 23 23 LEU N N 15 123.824 0.300 . 1 . . . . 23 LEU N . 10324 1 193 . 1 1 24 24 LYS H H 1 8.693 0.030 . 1 . . . . 24 LYS H . 10324 1 194 . 1 1 24 24 LYS HA H 1 4.992 0.030 . 1 . . . . 24 LYS HA . 10324 1 195 . 1 1 24 24 LYS HB2 H 1 1.762 0.030 . 2 . . . . 24 LYS HB2 . 10324 1 196 . 1 1 24 24 LYS HB3 H 1 1.684 0.030 . 2 . . . . 24 LYS HB3 . 10324 1 197 . 1 1 24 24 LYS HD2 H 1 1.604 0.030 . 1 . . . . 24 LYS HD2 . 10324 1 198 . 1 1 24 24 LYS HD3 H 1 1.604 0.030 . 1 . . . . 24 LYS HD3 . 10324 1 199 . 1 1 24 24 LYS HE2 H 1 2.892 0.030 . 1 . . . . 24 LYS HE2 . 10324 1 200 . 1 1 24 24 LYS HE3 H 1 2.892 0.030 . 1 . . . . 24 LYS HE3 . 10324 1 201 . 1 1 24 24 LYS HG2 H 1 1.237 0.030 . 2 . . . . 24 LYS HG2 . 10324 1 202 . 1 1 24 24 LYS HG3 H 1 1.344 0.030 . 2 . . . . 24 LYS HG3 . 10324 1 203 . 1 1 24 24 LYS C C 13 176.089 0.300 . 1 . . . . 24 LYS C . 10324 1 204 . 1 1 24 24 LYS CA C 13 55.030 0.300 . 1 . . . . 24 LYS CA . 10324 1 205 . 1 1 24 24 LYS CB C 13 32.046 0.300 . 1 . . . . 24 LYS CB . 10324 1 206 . 1 1 24 24 LYS CD C 13 28.958 0.300 . 1 . . . . 24 LYS CD . 10324 1 207 . 1 1 24 24 LYS CE C 13 42.046 0.300 . 1 . . . . 24 LYS CE . 10324 1 208 . 1 1 24 24 LYS CG C 13 24.441 0.300 . 1 . . . . 24 LYS CG . 10324 1 209 . 1 1 24 24 LYS N N 15 124.853 0.300 . 1 . . . . 24 LYS N . 10324 1 210 . 1 1 25 25 ILE H H 1 7.919 0.030 . 1 . . . . 25 ILE H . 10324 1 211 . 1 1 25 25 ILE HA H 1 4.560 0.030 . 1 . . . . 25 ILE HA . 10324 1 212 . 1 1 25 25 ILE HB H 1 1.594 0.030 . 1 . . . . 25 ILE HB . 10324 1 213 . 1 1 25 25 ILE HD11 H 1 0.665 0.030 . 1 . . . . 25 ILE HD1 . 10324 1 214 . 1 1 25 25 ILE HD12 H 1 0.665 0.030 . 1 . . . . 25 ILE HD1 . 10324 1 215 . 1 1 25 25 ILE HD13 H 1 0.665 0.030 . 1 . . . . 25 ILE HD1 . 10324 1 216 . 1 1 25 25 ILE HG12 H 1 1.042 0.030 . 2 . . . . 25 ILE HG12 . 10324 1 217 . 1 1 25 25 ILE HG13 H 1 1.286 0.030 . 2 . . . . 25 ILE HG13 . 10324 1 218 . 1 1 25 25 ILE HG21 H 1 0.779 0.030 . 1 . . . . 25 ILE HG2 . 10324 1 219 . 1 1 25 25 ILE HG22 H 1 0.779 0.030 . 1 . . . . 25 ILE HG2 . 10324 1 220 . 1 1 25 25 ILE HG23 H 1 0.779 0.030 . 1 . . . . 25 ILE HG2 . 10324 1 221 . 1 1 25 25 ILE C C 13 173.399 0.300 . 1 . . . . 25 ILE C . 10324 1 222 . 1 1 25 25 ILE CA C 13 58.013 0.300 . 1 . . . . 25 ILE CA . 10324 1 223 . 1 1 25 25 ILE CB C 13 40.565 0.300 . 1 . . . . 25 ILE CB . 10324 1 224 . 1 1 25 25 ILE CD1 C 13 13.837 0.300 . 1 . . . . 25 ILE CD1 . 10324 1 225 . 1 1 25 25 ILE CG1 C 13 26.471 0.300 . 1 . . . . 25 ILE CG1 . 10324 1 226 . 1 1 25 25 ILE CG2 C 13 17.629 0.300 . 1 . . . . 25 ILE CG2 . 10324 1 227 . 1 1 25 25 ILE N N 15 123.821 0.300 . 1 . . . . 25 ILE N . 10324 1 228 . 1 1 26 26 PRO HA H 1 4.388 0.030 . 1 . . . . 26 PRO HA . 10324 1 229 . 1 1 26 26 PRO HB2 H 1 1.927 0.030 . 2 . . . . 26 PRO HB2 . 10324 1 230 . 1 1 26 26 PRO HB3 H 1 2.247 0.030 . 2 . . . . 26 PRO HB3 . 10324 1 231 . 1 1 26 26 PRO HD2 H 1 3.706 0.030 . 2 . . . . 26 PRO HD2 . 10324 1 232 . 1 1 26 26 PRO HD3 H 1 3.635 0.030 . 2 . . . . 26 PRO HD3 . 10324 1 233 . 1 1 26 26 PRO HG2 H 1 2.032 0.030 . 2 . . . . 26 PRO HG2 . 10324 1 234 . 1 1 26 26 PRO HG3 H 1 1.897 0.030 . 2 . . . . 26 PRO HG3 . 10324 1 235 . 1 1 26 26 PRO C C 13 176.839 0.300 . 1 . . . . 26 PRO C . 10324 1 236 . 1 1 26 26 PRO CA C 13 63.139 0.300 . 1 . . . . 26 PRO CA . 10324 1 237 . 1 1 26 26 PRO CB C 13 32.733 0.300 . 1 . . . . 26 PRO CB . 10324 1 238 . 1 1 26 26 PRO CD C 13 51.148 0.300 . 1 . . . . 26 PRO CD . 10324 1 239 . 1 1 26 26 PRO CG C 13 27.222 0.300 . 1 . . . . 26 PRO CG . 10324 1 240 . 1 1 27 27 GLU H H 1 8.321 0.030 . 1 . . . . 27 GLU H . 10324 1 241 . 1 1 27 27 GLU HA H 1 3.856 0.030 . 1 . . . . 27 GLU HA . 10324 1 242 . 1 1 27 27 GLU HB2 H 1 2.089 0.030 . 1 . . . . 27 GLU HB2 . 10324 1 243 . 1 1 27 27 GLU HB3 H 1 2.089 0.030 . 1 . . . . 27 GLU HB3 . 10324 1 244 . 1 1 27 27 GLU HG2 H 1 2.179 0.030 . 2 . . . . 27 GLU HG2 . 10324 1 245 . 1 1 27 27 GLU HG3 H 1 2.119 0.030 . 2 . . . . 27 GLU HG3 . 10324 1 246 . 1 1 27 27 GLU C C 13 175.976 0.300 . 1 . . . . 27 GLU C . 10324 1 247 . 1 1 27 27 GLU CA C 13 59.055 0.300 . 1 . . . . 27 GLU CA . 10324 1 248 . 1 1 27 27 GLU CB C 13 28.104 0.300 . 1 . . . . 27 GLU CB . 10324 1 249 . 1 1 27 27 GLU CG C 13 36.627 0.300 . 1 . . . . 27 GLU CG . 10324 1 250 . 1 1 27 27 GLU N N 15 114.044 0.300 . 1 . . . . 27 GLU N . 10324 1 251 . 1 1 28 28 ILE H H 1 7.642 0.030 . 1 . . . . 28 ILE H . 10324 1 252 . 1 1 28 28 ILE HA H 1 3.972 0.030 . 1 . . . . 28 ILE HA . 10324 1 253 . 1 1 28 28 ILE HB H 1 1.243 0.030 . 1 . . . . 28 ILE HB . 10324 1 254 . 1 1 28 28 ILE HD11 H 1 0.259 0.030 . 1 . . . . 28 ILE HD1 . 10324 1 255 . 1 1 28 28 ILE HD12 H 1 0.259 0.030 . 1 . . . . 28 ILE HD1 . 10324 1 256 . 1 1 28 28 ILE HD13 H 1 0.259 0.030 . 1 . . . . 28 ILE HD1 . 10324 1 257 . 1 1 28 28 ILE HG12 H 1 0.506 0.030 . 2 . . . . 28 ILE HG12 . 10324 1 258 . 1 1 28 28 ILE HG13 H 1 1.066 0.030 . 2 . . . . 28 ILE HG13 . 10324 1 259 . 1 1 28 28 ILE HG21 H 1 0.363 0.030 . 1 . . . . 28 ILE HG2 . 10324 1 260 . 1 1 28 28 ILE HG22 H 1 0.363 0.030 . 1 . . . . 28 ILE HG2 . 10324 1 261 . 1 1 28 28 ILE HG23 H 1 0.363 0.030 . 1 . . . . 28 ILE HG2 . 10324 1 262 . 1 1 28 28 ILE C C 13 175.338 0.300 . 1 . . . . 28 ILE C . 10324 1 263 . 1 1 28 28 ILE CA C 13 60.702 0.300 . 1 . . . . 28 ILE CA . 10324 1 264 . 1 1 28 28 ILE CB C 13 40.234 0.300 . 1 . . . . 28 ILE CB . 10324 1 265 . 1 1 28 28 ILE CD1 C 13 13.130 0.300 . 1 . . . . 28 ILE CD1 . 10324 1 266 . 1 1 28 28 ILE CG1 C 13 26.562 0.300 . 1 . . . . 28 ILE CG1 . 10324 1 267 . 1 1 28 28 ILE CG2 C 13 17.712 0.300 . 1 . . . . 28 ILE CG2 . 10324 1 268 . 1 1 28 28 ILE N N 15 118.776 0.300 . 1 . . . . 28 ILE N . 10324 1 269 . 1 1 29 29 ASN H H 1 8.216 0.030 . 1 . . . . 29 ASN H . 10324 1 270 . 1 1 29 29 ASN HA H 1 4.861 0.030 . 1 . . . . 29 ASN HA . 10324 1 271 . 1 1 29 29 ASN HB2 H 1 2.840 0.030 . 2 . . . . 29 ASN HB2 . 10324 1 272 . 1 1 29 29 ASN HB3 H 1 2.712 0.030 . 2 . . . . 29 ASN HB3 . 10324 1 273 . 1 1 29 29 ASN HD21 H 1 7.658 0.030 . 2 . . . . 29 ASN HD21 . 10324 1 274 . 1 1 29 29 ASN HD22 H 1 6.989 0.030 . 2 . . . . 29 ASN HD22 . 10324 1 275 . 1 1 29 29 ASN C C 13 176.887 0.300 . 1 . . . . 29 ASN C . 10324 1 276 . 1 1 29 29 ASN CA C 13 52.857 0.300 . 1 . . . . 29 ASN CA . 10324 1 277 . 1 1 29 29 ASN CB C 13 39.327 0.300 . 1 . . . . 29 ASN CB . 10324 1 278 . 1 1 29 29 ASN N N 15 112.130 0.300 . 1 . . . . 29 ASN N . 10324 1 279 . 1 1 29 29 ASN ND2 N 15 114.179 0.300 . 1 . . . . 29 ASN ND2 . 10324 1 280 . 1 1 30 30 SER H H 1 8.988 0.030 . 1 . . . . 30 SER H . 10324 1 281 . 1 1 30 30 SER HA H 1 4.008 0.030 . 1 . . . . 30 SER HA . 10324 1 282 . 1 1 30 30 SER HB2 H 1 3.737 0.030 . 2 . . . . 30 SER HB2 . 10324 1 283 . 1 1 30 30 SER HB3 H 1 3.814 0.030 . 2 . . . . 30 SER HB3 . 10324 1 284 . 1 1 30 30 SER C C 13 176.887 0.300 . 1 . . . . 30 SER C . 10324 1 285 . 1 1 30 30 SER CA C 13 62.310 0.300 . 1 . . . . 30 SER CA . 10324 1 286 . 1 1 30 30 SER CB C 13 63.221 0.300 . 1 . . . . 30 SER CB . 10324 1 287 . 1 1 30 30 SER N N 15 120.744 0.300 . 1 . . . . 30 SER N . 10324 1 288 . 1 1 31 31 SER HA H 1 4.291 0.030 . 1 . . . . 31 SER HA . 10324 1 289 . 1 1 31 31 SER HB2 H 1 3.976 0.030 . 2 . . . . 31 SER HB2 . 10324 1 290 . 1 1 31 31 SER HB3 H 1 3.868 0.030 . 2 . . . . 31 SER HB3 . 10324 1 291 . 1 1 31 31 SER C C 13 174.869 0.300 . 1 . . . . 31 SER C . 10324 1 292 . 1 1 31 31 SER CA C 13 60.079 0.300 . 1 . . . . 31 SER CA . 10324 1 293 . 1 1 31 31 SER CB C 13 62.890 0.300 . 1 . . . . 31 SER CB . 10324 1 294 . 1 1 32 32 ASP H H 1 7.797 0.030 . 1 . . . . 32 ASP H . 10324 1 295 . 1 1 32 32 ASP HA H 1 4.895 0.030 . 1 . . . . 32 ASP HA . 10324 1 296 . 1 1 32 32 ASP HB2 H 1 2.774 0.030 . 2 . . . . 32 ASP HB2 . 10324 1 297 . 1 1 32 32 ASP HB3 H 1 3.046 0.030 . 2 . . . . 32 ASP HB3 . 10324 1 298 . 1 1 32 32 ASP C C 13 175.569 0.300 . 1 . . . . 32 ASP C . 10324 1 299 . 1 1 32 32 ASP CA C 13 54.696 0.300 . 1 . . . . 32 ASP CA . 10324 1 300 . 1 1 32 32 ASP CB C 13 42.412 0.300 . 1 . . . . 32 ASP CB . 10324 1 301 . 1 1 32 32 ASP N N 15 119.421 0.300 . 1 . . . . 32 ASP N . 10324 1 302 . 1 1 33 33 MET H H 1 7.500 0.030 . 1 . . . . 33 MET H . 10324 1 303 . 1 1 33 33 MET HA H 1 5.307 0.030 . 1 . . . . 33 MET HA . 10324 1 304 . 1 1 33 33 MET HB2 H 1 1.746 0.030 . 2 . . . . 33 MET HB2 . 10324 1 305 . 1 1 33 33 MET HB3 H 1 1.983 0.030 . 2 . . . . 33 MET HB3 . 10324 1 306 . 1 1 33 33 MET HE1 H 1 1.164 0.030 . 1 . . . . 33 MET HE . 10324 1 307 . 1 1 33 33 MET HE2 H 1 1.164 0.030 . 1 . . . . 33 MET HE . 10324 1 308 . 1 1 33 33 MET HE3 H 1 1.164 0.030 . 1 . . . . 33 MET HE . 10324 1 309 . 1 1 33 33 MET HG2 H 1 2.083 0.030 . 2 . . . . 33 MET HG2 . 10324 1 310 . 1 1 33 33 MET HG3 H 1 2.292 0.030 . 2 . . . . 33 MET HG3 . 10324 1 311 . 1 1 33 33 MET C C 13 174.880 0.300 . 1 . . . . 33 MET C . 10324 1 312 . 1 1 33 33 MET CA C 13 54.908 0.300 . 1 . . . . 33 MET CA . 10324 1 313 . 1 1 33 33 MET CB C 13 37.106 0.300 . 1 . . . . 33 MET CB . 10324 1 314 . 1 1 33 33 MET CE C 13 16.144 0.300 . 1 . . . . 33 MET CE . 10324 1 315 . 1 1 33 33 MET CG C 13 33.063 0.300 . 1 . . . . 33 MET CG . 10324 1 316 . 1 1 33 33 MET N N 15 119.111 0.300 . 1 . . . . 33 MET N . 10324 1 317 . 1 1 34 34 SER H H 1 8.693 0.030 . 1 . . . . 34 SER H . 10324 1 318 . 1 1 34 34 SER HA H 1 4.674 0.030 . 1 . . . . 34 SER HA . 10324 1 319 . 1 1 34 34 SER HB2 H 1 3.719 0.030 . 2 . . . . 34 SER HB2 . 10324 1 320 . 1 1 34 34 SER HB3 H 1 3.668 0.030 . 2 . . . . 34 SER HB3 . 10324 1 321 . 1 1 34 34 SER C C 13 172.728 0.300 . 1 . . . . 34 SER C . 10324 1 322 . 1 1 34 34 SER CA C 13 56.929 0.300 . 1 . . . . 34 SER CA . 10324 1 323 . 1 1 34 34 SER CB C 13 66.208 0.300 . 1 . . . . 34 SER CB . 10324 1 324 . 1 1 34 34 SER N N 15 113.998 0.300 . 1 . . . . 34 SER N . 10324 1 325 . 1 1 35 35 ALA H H 1 9.088 0.030 . 1 . . . . 35 ALA H . 10324 1 326 . 1 1 35 35 ALA HA H 1 5.698 0.030 . 1 . . . . 35 ALA HA . 10324 1 327 . 1 1 35 35 ALA HB1 H 1 1.078 0.030 . 1 . . . . 35 ALA HB . 10324 1 328 . 1 1 35 35 ALA HB2 H 1 1.078 0.030 . 1 . . . . 35 ALA HB . 10324 1 329 . 1 1 35 35 ALA HB3 H 1 1.078 0.030 . 1 . . . . 35 ALA HB . 10324 1 330 . 1 1 35 35 ALA C C 13 175.050 0.300 . 1 . . . . 35 ALA C . 10324 1 331 . 1 1 35 35 ALA CA C 13 50.279 0.300 . 1 . . . . 35 ALA CA . 10324 1 332 . 1 1 35 35 ALA CB C 13 23.277 0.300 . 1 . . . . 35 ALA CB . 10324 1 333 . 1 1 35 35 ALA N N 15 126.123 0.300 . 1 . . . . 35 ALA N . 10324 1 334 . 1 1 36 36 HIS H H 1 8.644 0.030 . 1 . . . . 36 HIS H . 10324 1 335 . 1 1 36 36 HIS HA H 1 5.099 0.030 . 1 . . . . 36 HIS HA . 10324 1 336 . 1 1 36 36 HIS HB2 H 1 2.790 0.030 . 2 . . . . 36 HIS HB2 . 10324 1 337 . 1 1 36 36 HIS HB3 H 1 2.662 0.030 . 2 . . . . 36 HIS HB3 . 10324 1 338 . 1 1 36 36 HIS HD2 H 1 6.659 0.030 . 1 . . . . 36 HIS HD2 . 10324 1 339 . 1 1 36 36 HIS HE1 H 1 7.555 0.030 . 1 . . . . 36 HIS HE1 . 10324 1 340 . 1 1 36 36 HIS C C 13 174.212 0.300 . 1 . . . . 36 HIS C . 10324 1 341 . 1 1 36 36 HIS CA C 13 56.085 0.300 . 1 . . . . 36 HIS CA . 10324 1 342 . 1 1 36 36 HIS CB C 13 34.232 0.300 . 1 . . . . 36 HIS CB . 10324 1 343 . 1 1 36 36 HIS CD2 C 13 118.132 0.300 . 1 . . . . 36 HIS CD2 . 10324 1 344 . 1 1 36 36 HIS CE1 C 13 138.143 0.300 . 1 . . . . 36 HIS CE1 . 10324 1 345 . 1 1 36 36 HIS N N 15 119.065 0.300 . 1 . . . . 36 HIS N . 10324 1 346 . 1 1 37 37 VAL H H 1 9.461 0.030 . 1 . . . . 37 VAL H . 10324 1 347 . 1 1 37 37 VAL HA H 1 4.691 0.030 . 1 . . . . 37 VAL HA . 10324 1 348 . 1 1 37 37 VAL HB H 1 1.633 0.030 . 1 . . . . 37 VAL HB . 10324 1 349 . 1 1 37 37 VAL HG11 H 1 0.457 0.030 . 1 . . . . 37 VAL HG1 . 10324 1 350 . 1 1 37 37 VAL HG12 H 1 0.457 0.030 . 1 . . . . 37 VAL HG1 . 10324 1 351 . 1 1 37 37 VAL HG13 H 1 0.457 0.030 . 1 . . . . 37 VAL HG1 . 10324 1 352 . 1 1 37 37 VAL HG21 H 1 0.076 0.030 . 1 . . . . 37 VAL HG2 . 10324 1 353 . 1 1 37 37 VAL HG22 H 1 0.076 0.030 . 1 . . . . 37 VAL HG2 . 10324 1 354 . 1 1 37 37 VAL HG23 H 1 0.076 0.030 . 1 . . . . 37 VAL HG2 . 10324 1 355 . 1 1 37 37 VAL C C 13 175.129 0.300 . 1 . . . . 37 VAL C . 10324 1 356 . 1 1 37 37 VAL CA C 13 60.593 0.300 . 1 . . . . 37 VAL CA . 10324 1 357 . 1 1 37 37 VAL CB C 13 33.730 0.300 . 1 . . . . 37 VAL CB . 10324 1 358 . 1 1 37 37 VAL CG1 C 13 21.431 0.300 . 2 . . . . 37 VAL CG1 . 10324 1 359 . 1 1 37 37 VAL CG2 C 13 20.478 0.300 . 2 . . . . 37 VAL CG2 . 10324 1 360 . 1 1 37 37 VAL N N 15 125.235 0.300 . 1 . . . . 37 VAL N . 10324 1 361 . 1 1 38 38 THR H H 1 9.397 0.030 . 1 . . . . 38 THR H . 10324 1 362 . 1 1 38 38 THR HA H 1 5.118 0.030 . 1 . . . . 38 THR HA . 10324 1 363 . 1 1 38 38 THR HB H 1 3.934 0.030 . 1 . . . . 38 THR HB . 10324 1 364 . 1 1 38 38 THR HG21 H 1 1.126 0.030 . 1 . . . . 38 THR HG2 . 10324 1 365 . 1 1 38 38 THR HG22 H 1 1.126 0.030 . 1 . . . . 38 THR HG2 . 10324 1 366 . 1 1 38 38 THR HG23 H 1 1.126 0.030 . 1 . . . . 38 THR HG2 . 10324 1 367 . 1 1 38 38 THR C C 13 174.548 0.300 . 1 . . . . 38 THR C . 10324 1 368 . 1 1 38 38 THR CA C 13 61.727 0.300 . 1 . . . . 38 THR CA . 10324 1 369 . 1 1 38 38 THR CB C 13 69.332 0.300 . 1 . . . . 38 THR CB . 10324 1 370 . 1 1 38 38 THR CG2 C 13 21.062 0.300 . 1 . . . . 38 THR CG2 . 10324 1 371 . 1 1 38 38 THR N N 15 124.436 0.300 . 1 . . . . 38 THR N . 10324 1 372 . 1 1 39 39 SER H H 1 8.994 0.030 . 1 . . . . 39 SER H . 10324 1 373 . 1 1 39 39 SER HA H 1 4.165 0.030 . 1 . . . . 39 SER HA . 10324 1 374 . 1 1 39 39 SER HB2 H 1 3.950 0.030 . 2 . . . . 39 SER HB2 . 10324 1 375 . 1 1 39 39 SER HB3 H 1 3.765 0.030 . 2 . . . . 39 SER HB3 . 10324 1 376 . 1 1 39 39 SER C C 13 174.030 0.300 . 1 . . . . 39 SER C . 10324 1 377 . 1 1 39 39 SER CA C 13 56.574 0.300 . 1 . . . . 39 SER CA . 10324 1 378 . 1 1 39 39 SER CB C 13 62.967 0.300 . 1 . . . . 39 SER CB . 10324 1 379 . 1 1 39 39 SER N N 15 125.585 0.300 . 1 . . . . 39 SER N . 10324 1 380 . 1 1 40 40 PRO HA H 1 4.207 0.030 . 1 . . . . 40 PRO HA . 10324 1 381 . 1 1 40 40 PRO HB2 H 1 1.874 0.030 . 2 . . . . 40 PRO HB2 . 10324 1 382 . 1 1 40 40 PRO HB3 H 1 2.380 0.030 . 2 . . . . 40 PRO HB3 . 10324 1 383 . 1 1 40 40 PRO HD2 H 1 3.133 0.030 . 2 . . . . 40 PRO HD2 . 10324 1 384 . 1 1 40 40 PRO HD3 H 1 1.898 0.030 . 2 . . . . 40 PRO HD3 . 10324 1 385 . 1 1 40 40 PRO HG2 H 1 2.107 0.030 . 2 . . . . 40 PRO HG2 . 10324 1 386 . 1 1 40 40 PRO HG3 H 1 1.831 0.030 . 2 . . . . 40 PRO HG3 . 10324 1 387 . 1 1 40 40 PRO C C 13 177.674 0.300 . 1 . . . . 40 PRO C . 10324 1 388 . 1 1 40 40 PRO CA C 13 65.739 0.300 . 1 . . . . 40 PRO CA . 10324 1 389 . 1 1 40 40 PRO CB C 13 31.485 0.300 . 1 . . . . 40 PRO CB . 10324 1 390 . 1 1 40 40 PRO CD C 13 49.668 0.300 . 1 . . . . 40 PRO CD . 10324 1 391 . 1 1 40 40 PRO CG C 13 26.673 0.300 . 1 . . . . 40 PRO CG . 10324 1 392 . 1 1 41 41 SER H H 1 8.315 0.030 . 1 . . . . 41 SER H . 10324 1 393 . 1 1 41 41 SER HA H 1 4.281 0.030 . 1 . . . . 41 SER HA . 10324 1 394 . 1 1 41 41 SER HB2 H 1 3.958 0.030 . 1 . . . . 41 SER HB2 . 10324 1 395 . 1 1 41 41 SER HB3 H 1 3.958 0.030 . 1 . . . . 41 SER HB3 . 10324 1 396 . 1 1 41 41 SER C C 13 175.349 0.300 . 1 . . . . 41 SER C . 10324 1 397 . 1 1 41 41 SER CA C 13 58.996 0.300 . 1 . . . . 41 SER CA . 10324 1 398 . 1 1 41 41 SER CB C 13 62.827 0.300 . 1 . . . . 41 SER CB . 10324 1 399 . 1 1 41 41 SER N N 15 110.268 0.300 . 1 . . . . 41 SER N . 10324 1 400 . 1 1 42 42 GLY H H 1 8.245 0.030 . 1 . . . . 42 GLY H . 10324 1 401 . 1 1 42 42 GLY HA2 H 1 3.368 0.030 . 2 . . . . 42 GLY HA2 . 10324 1 402 . 1 1 42 42 GLY HA3 H 1 4.253 0.030 . 2 . . . . 42 GLY HA3 . 10324 1 403 . 1 1 42 42 GLY C C 13 173.986 0.300 . 1 . . . . 42 GLY C . 10324 1 404 . 1 1 42 42 GLY CA C 13 44.736 0.300 . 1 . . . . 42 GLY CA . 10324 1 405 . 1 1 42 42 GLY N N 15 111.106 0.300 . 1 . . . . 42 GLY N . 10324 1 406 . 1 1 43 43 ARG H H 1 7.275 0.030 . 1 . . . . 43 ARG H . 10324 1 407 . 1 1 43 43 ARG HA H 1 4.168 0.030 . 1 . . . . 43 ARG HA . 10324 1 408 . 1 1 43 43 ARG HB2 H 1 1.725 0.030 . 2 . . . . 43 ARG HB2 . 10324 1 409 . 1 1 43 43 ARG HB3 H 1 1.669 0.030 . 2 . . . . 43 ARG HB3 . 10324 1 410 . 1 1 43 43 ARG HD2 H 1 3.139 0.030 . 1 . . . . 43 ARG HD2 . 10324 1 411 . 1 1 43 43 ARG HD3 H 1 3.139 0.030 . 1 . . . . 43 ARG HD3 . 10324 1 412 . 1 1 43 43 ARG HG2 H 1 1.606 0.030 . 2 . . . . 43 ARG HG2 . 10324 1 413 . 1 1 43 43 ARG HG3 H 1 1.467 0.030 . 2 . . . . 43 ARG HG3 . 10324 1 414 . 1 1 43 43 ARG C C 13 175.999 0.300 . 1 . . . . 43 ARG C . 10324 1 415 . 1 1 43 43 ARG CA C 13 56.724 0.300 . 1 . . . . 43 ARG CA . 10324 1 416 . 1 1 43 43 ARG CB C 13 30.375 0.300 . 1 . . . . 43 ARG CB . 10324 1 417 . 1 1 43 43 ARG CD C 13 43.302 0.300 . 1 . . . . 43 ARG CD . 10324 1 418 . 1 1 43 43 ARG CG C 13 27.447 0.300 . 1 . . . . 43 ARG CG . 10324 1 419 . 1 1 43 43 ARG N N 15 121.526 0.300 . 1 . . . . 43 ARG N . 10324 1 420 . 1 1 44 44 VAL H H 1 8.761 0.030 . 1 . . . . 44 VAL H . 10324 1 421 . 1 1 44 44 VAL HA H 1 5.200 0.030 . 1 . . . . 44 VAL HA . 10324 1 422 . 1 1 44 44 VAL HB H 1 1.870 0.030 . 1 . . . . 44 VAL HB . 10324 1 423 . 1 1 44 44 VAL HG11 H 1 0.952 0.030 . 1 . . . . 44 VAL HG1 . 10324 1 424 . 1 1 44 44 VAL HG12 H 1 0.952 0.030 . 1 . . . . 44 VAL HG1 . 10324 1 425 . 1 1 44 44 VAL HG13 H 1 0.952 0.030 . 1 . . . . 44 VAL HG1 . 10324 1 426 . 1 1 44 44 VAL HG21 H 1 0.765 0.030 . 1 . . . . 44 VAL HG2 . 10324 1 427 . 1 1 44 44 VAL HG22 H 1 0.765 0.030 . 1 . . . . 44 VAL HG2 . 10324 1 428 . 1 1 44 44 VAL HG23 H 1 0.765 0.030 . 1 . . . . 44 VAL HG2 . 10324 1 429 . 1 1 44 44 VAL C C 13 176.766 0.300 . 1 . . . . 44 VAL C . 10324 1 430 . 1 1 44 44 VAL CA C 13 61.464 0.300 . 1 . . . . 44 VAL CA . 10324 1 431 . 1 1 44 44 VAL CB C 13 33.042 0.300 . 1 . . . . 44 VAL CB . 10324 1 432 . 1 1 44 44 VAL CG1 C 13 21.111 0.300 . 2 . . . . 44 VAL CG1 . 10324 1 433 . 1 1 44 44 VAL CG2 C 13 21.183 0.300 . 2 . . . . 44 VAL CG2 . 10324 1 434 . 1 1 44 44 VAL N N 15 128.445 0.300 . 1 . . . . 44 VAL N . 10324 1 435 . 1 1 45 45 THR H H 1 9.159 0.030 . 1 . . . . 45 THR H . 10324 1 436 . 1 1 45 45 THR HA H 1 4.688 0.030 . 1 . . . . 45 THR HA . 10324 1 437 . 1 1 45 45 THR HB H 1 4.058 0.030 . 1 . . . . 45 THR HB . 10324 1 438 . 1 1 45 45 THR HG21 H 1 1.259 0.030 . 1 . . . . 45 THR HG2 . 10324 1 439 . 1 1 45 45 THR HG22 H 1 1.259 0.030 . 1 . . . . 45 THR HG2 . 10324 1 440 . 1 1 45 45 THR HG23 H 1 1.259 0.030 . 1 . . . . 45 THR HG2 . 10324 1 441 . 1 1 45 45 THR C C 13 173.421 0.300 . 1 . . . . 45 THR C . 10324 1 442 . 1 1 45 45 THR CA C 13 60.201 0.300 . 1 . . . . 45 THR CA . 10324 1 443 . 1 1 45 45 THR CB C 13 71.841 0.300 . 1 . . . . 45 THR CB . 10324 1 444 . 1 1 45 45 THR CG2 C 13 21.805 0.300 . 1 . . . . 45 THR CG2 . 10324 1 445 . 1 1 45 45 THR N N 15 121.779 0.300 . 1 . . . . 45 THR N . 10324 1 446 . 1 1 46 46 GLU H H 1 8.906 0.030 . 1 . . . . 46 GLU H . 10324 1 447 . 1 1 46 46 GLU HA H 1 4.304 0.030 . 1 . . . . 46 GLU HA . 10324 1 448 . 1 1 46 46 GLU HB2 H 1 1.962 0.030 . 2 . . . . 46 GLU HB2 . 10324 1 449 . 1 1 46 46 GLU HB3 H 1 1.883 0.030 . 2 . . . . 46 GLU HB3 . 10324 1 450 . 1 1 46 46 GLU HG2 H 1 2.204 0.030 . 2 . . . . 46 GLU HG2 . 10324 1 451 . 1 1 46 46 GLU HG3 H 1 2.113 0.030 . 2 . . . . 46 GLU HG3 . 10324 1 452 . 1 1 46 46 GLU C C 13 175.545 0.300 . 1 . . . . 46 GLU C . 10324 1 453 . 1 1 46 46 GLU CA C 13 56.959 0.300 . 1 . . . . 46 GLU CA . 10324 1 454 . 1 1 46 46 GLU CB C 13 30.203 0.300 . 1 . . . . 46 GLU CB . 10324 1 455 . 1 1 46 46 GLU CG C 13 36.449 0.300 . 1 . . . . 46 GLU CG . 10324 1 456 . 1 1 46 46 GLU N N 15 125.417 0.300 . 1 . . . . 46 GLU N . 10324 1 457 . 1 1 47 47 ALA H H 1 8.184 0.030 . 1 . . . . 47 ALA H . 10324 1 458 . 1 1 47 47 ALA HA H 1 4.803 0.030 . 1 . . . . 47 ALA HA . 10324 1 459 . 1 1 47 47 ALA HB1 H 1 1.084 0.030 . 1 . . . . 47 ALA HB . 10324 1 460 . 1 1 47 47 ALA HB2 H 1 1.084 0.030 . 1 . . . . 47 ALA HB . 10324 1 461 . 1 1 47 47 ALA HB3 H 1 1.084 0.030 . 1 . . . . 47 ALA HB . 10324 1 462 . 1 1 47 47 ALA C C 13 175.168 0.300 . 1 . . . . 47 ALA C . 10324 1 463 . 1 1 47 47 ALA CA C 13 50.048 0.300 . 1 . . . . 47 ALA CA . 10324 1 464 . 1 1 47 47 ALA CB C 13 21.472 0.300 . 1 . . . . 47 ALA CB . 10324 1 465 . 1 1 47 47 ALA N N 15 128.309 0.300 . 1 . . . . 47 ALA N . 10324 1 466 . 1 1 48 48 GLU H H 1 8.150 0.030 . 1 . . . . 48 GLU H . 10324 1 467 . 1 1 48 48 GLU HA H 1 4.457 0.030 . 1 . . . . 48 GLU HA . 10324 1 468 . 1 1 48 48 GLU HB2 H 1 1.948 0.030 . 2 . . . . 48 GLU HB2 . 10324 1 469 . 1 1 48 48 GLU HB3 H 1 1.905 0.030 . 2 . . . . 48 GLU HB3 . 10324 1 470 . 1 1 48 48 GLU HG2 H 1 2.247 0.030 . 2 . . . . 48 GLU HG2 . 10324 1 471 . 1 1 48 48 GLU HG3 H 1 2.102 0.030 . 2 . . . . 48 GLU HG3 . 10324 1 472 . 1 1 48 48 GLU C C 13 175.002 0.300 . 1 . . . . 48 GLU C . 10324 1 473 . 1 1 48 48 GLU CA C 13 55.432 0.300 . 1 . . . . 48 GLU CA . 10324 1 474 . 1 1 48 48 GLU CB C 13 32.234 0.300 . 1 . . . . 48 GLU CB . 10324 1 475 . 1 1 48 48 GLU CG C 13 36.481 0.300 . 1 . . . . 48 GLU CG . 10324 1 476 . 1 1 48 48 GLU N N 15 120.933 0.300 . 1 . . . . 48 GLU N . 10324 1 477 . 1 1 49 49 ILE H H 1 8.550 0.030 . 1 . . . . 49 ILE H . 10324 1 478 . 1 1 49 49 ILE HA H 1 4.905 0.030 . 1 . . . . 49 ILE HA . 10324 1 479 . 1 1 49 49 ILE HB H 1 1.726 0.030 . 1 . . . . 49 ILE HB . 10324 1 480 . 1 1 49 49 ILE HD11 H 1 0.662 0.030 . 1 . . . . 49 ILE HD1 . 10324 1 481 . 1 1 49 49 ILE HD12 H 1 0.662 0.030 . 1 . . . . 49 ILE HD1 . 10324 1 482 . 1 1 49 49 ILE HD13 H 1 0.662 0.030 . 1 . . . . 49 ILE HD1 . 10324 1 483 . 1 1 49 49 ILE HG12 H 1 1.563 0.030 . 2 . . . . 49 ILE HG12 . 10324 1 484 . 1 1 49 49 ILE HG13 H 1 0.767 0.030 . 2 . . . . 49 ILE HG13 . 10324 1 485 . 1 1 49 49 ILE HG21 H 1 0.741 0.030 . 1 . . . . 49 ILE HG2 . 10324 1 486 . 1 1 49 49 ILE HG22 H 1 0.741 0.030 . 1 . . . . 49 ILE HG2 . 10324 1 487 . 1 1 49 49 ILE HG23 H 1 0.741 0.030 . 1 . . . . 49 ILE HG2 . 10324 1 488 . 1 1 49 49 ILE C C 13 175.680 0.300 . 1 . . . . 49 ILE C . 10324 1 489 . 1 1 49 49 ILE CA C 13 60.296 0.300 . 1 . . . . 49 ILE CA . 10324 1 490 . 1 1 49 49 ILE CB C 13 38.293 0.300 . 1 . . . . 49 ILE CB . 10324 1 491 . 1 1 49 49 ILE CD1 C 13 14.194 0.300 . 1 . . . . 49 ILE CD1 . 10324 1 492 . 1 1 49 49 ILE CG1 C 13 27.661 0.300 . 1 . . . . 49 ILE CG1 . 10324 1 493 . 1 1 49 49 ILE CG2 C 13 18.117 0.300 . 1 . . . . 49 ILE CG2 . 10324 1 494 . 1 1 49 49 ILE N N 15 122.519 0.300 . 1 . . . . 49 ILE N . 10324 1 495 . 1 1 50 50 VAL H H 1 9.523 0.030 . 1 . . . . 50 VAL H . 10324 1 496 . 1 1 50 50 VAL HA H 1 4.672 0.030 . 1 . . . . 50 VAL HA . 10324 1 497 . 1 1 50 50 VAL HB H 1 2.041 0.030 . 1 . . . . 50 VAL HB . 10324 1 498 . 1 1 50 50 VAL HG11 H 1 0.869 0.030 . 1 . . . . 50 VAL HG1 . 10324 1 499 . 1 1 50 50 VAL HG12 H 1 0.869 0.030 . 1 . . . . 50 VAL HG1 . 10324 1 500 . 1 1 50 50 VAL HG13 H 1 0.869 0.030 . 1 . . . . 50 VAL HG1 . 10324 1 501 . 1 1 50 50 VAL HG21 H 1 0.779 0.030 . 1 . . . . 50 VAL HG2 . 10324 1 502 . 1 1 50 50 VAL HG22 H 1 0.779 0.030 . 1 . . . . 50 VAL HG2 . 10324 1 503 . 1 1 50 50 VAL HG23 H 1 0.779 0.030 . 1 . . . . 50 VAL HG2 . 10324 1 504 . 1 1 50 50 VAL C C 13 174.038 0.300 . 1 . . . . 50 VAL C . 10324 1 505 . 1 1 50 50 VAL CA C 13 58.357 0.300 . 1 . . . . 50 VAL CA . 10324 1 506 . 1 1 50 50 VAL CB C 13 34.472 0.300 . 1 . . . . 50 VAL CB . 10324 1 507 . 1 1 50 50 VAL CG1 C 13 20.812 0.300 . 2 . . . . 50 VAL CG1 . 10324 1 508 . 1 1 50 50 VAL CG2 C 13 20.105 0.300 . 2 . . . . 50 VAL CG2 . 10324 1 509 . 1 1 50 50 VAL N N 15 129.206 0.300 . 1 . . . . 50 VAL N . 10324 1 510 . 1 1 51 51 PRO HA H 1 4.573 0.030 . 1 . . . . 51 PRO HA . 10324 1 511 . 1 1 51 51 PRO HB2 H 1 1.942 0.030 . 2 . . . . 51 PRO HB2 . 10324 1 512 . 1 1 51 51 PRO HB3 H 1 2.390 0.030 . 2 . . . . 51 PRO HB3 . 10324 1 513 . 1 1 51 51 PRO HD2 H 1 3.852 0.030 . 1 . . . . 51 PRO HD2 . 10324 1 514 . 1 1 51 51 PRO HD3 H 1 3.852 0.030 . 1 . . . . 51 PRO HD3 . 10324 1 515 . 1 1 51 51 PRO HG2 H 1 2.177 0.030 . 2 . . . . 51 PRO HG2 . 10324 1 516 . 1 1 51 51 PRO HG3 H 1 2.095 0.030 . 2 . . . . 51 PRO HG3 . 10324 1 517 . 1 1 51 51 PRO C C 13 177.397 0.300 . 1 . . . . 51 PRO C . 10324 1 518 . 1 1 51 51 PRO CA C 13 63.376 0.300 . 1 . . . . 51 PRO CA . 10324 1 519 . 1 1 51 51 PRO CB C 13 32.156 0.300 . 1 . . . . 51 PRO CB . 10324 1 520 . 1 1 51 51 PRO CD C 13 51.163 0.300 . 1 . . . . 51 PRO CD . 10324 1 521 . 1 1 51 51 PRO CG C 13 27.302 0.300 . 1 . . . . 51 PRO CG . 10324 1 522 . 1 1 52 52 MET H H 1 7.785 0.030 . 1 . . . . 52 MET H . 10324 1 523 . 1 1 52 52 MET HA H 1 4.702 0.030 . 1 . . . . 52 MET HA . 10324 1 524 . 1 1 52 52 MET HB2 H 1 1.389 0.030 . 2 . . . . 52 MET HB2 . 10324 1 525 . 1 1 52 52 MET HB3 H 1 1.940 0.030 . 2 . . . . 52 MET HB3 . 10324 1 526 . 1 1 52 52 MET HE1 H 1 1.908 0.030 . 1 . . . . 52 MET HE . 10324 1 527 . 1 1 52 52 MET HE2 H 1 1.908 0.030 . 1 . . . . 52 MET HE . 10324 1 528 . 1 1 52 52 MET HE3 H 1 1.908 0.030 . 1 . . . . 52 MET HE . 10324 1 529 . 1 1 52 52 MET HG2 H 1 2.292 0.030 . 2 . . . . 52 MET HG2 . 10324 1 530 . 1 1 52 52 MET HG3 H 1 2.421 0.030 . 2 . . . . 52 MET HG3 . 10324 1 531 . 1 1 52 52 MET C C 13 175.735 0.300 . 1 . . . . 52 MET C . 10324 1 532 . 1 1 52 52 MET CA C 13 53.446 0.300 . 1 . . . . 52 MET CA . 10324 1 533 . 1 1 52 52 MET CB C 13 33.042 0.300 . 1 . . . . 52 MET CB . 10324 1 534 . 1 1 52 52 MET CE C 13 16.759 0.300 . 1 . . . . 52 MET CE . 10324 1 535 . 1 1 52 52 MET CG C 13 32.101 0.300 . 1 . . . . 52 MET CG . 10324 1 536 . 1 1 52 52 MET N N 15 122.087 0.300 . 1 . . . . 52 MET N . 10324 1 537 . 1 1 53 53 GLY H H 1 7.706 0.030 . 1 . . . . 53 GLY H . 10324 1 538 . 1 1 53 53 GLY HA2 H 1 4.147 0.030 . 2 . . . . 53 GLY HA2 . 10324 1 539 . 1 1 53 53 GLY HA3 H 1 3.700 0.030 . 2 . . . . 53 GLY HA3 . 10324 1 540 . 1 1 53 53 GLY C C 13 173.443 0.300 . 1 . . . . 53 GLY C . 10324 1 541 . 1 1 53 53 GLY CA C 13 43.983 0.300 . 1 . . . . 53 GLY CA . 10324 1 542 . 1 1 53 53 GLY N N 15 109.185 0.300 . 1 . . . . 53 GLY N . 10324 1 543 . 1 1 54 54 LYS HA H 1 3.937 0.030 . 1 . . . . 54 LYS HA . 10324 1 544 . 1 1 54 54 LYS HB2 H 1 1.686 0.030 . 1 . . . . 54 LYS HB2 . 10324 1 545 . 1 1 54 54 LYS HB3 H 1 1.686 0.030 . 1 . . . . 54 LYS HB3 . 10324 1 546 . 1 1 54 54 LYS HD2 H 1 1.621 0.030 . 1 . . . . 54 LYS HD2 . 10324 1 547 . 1 1 54 54 LYS HD3 H 1 1.621 0.030 . 1 . . . . 54 LYS HD3 . 10324 1 548 . 1 1 54 54 LYS HE2 H 1 2.934 0.030 . 1 . . . . 54 LYS HE2 . 10324 1 549 . 1 1 54 54 LYS HE3 H 1 2.934 0.030 . 1 . . . . 54 LYS HE3 . 10324 1 550 . 1 1 54 54 LYS HG2 H 1 1.295 0.030 . 2 . . . . 54 LYS HG2 . 10324 1 551 . 1 1 54 54 LYS HG3 H 1 1.350 0.030 . 2 . . . . 54 LYS HG3 . 10324 1 552 . 1 1 54 54 LYS C C 13 177.630 0.300 . 1 . . . . 54 LYS C . 10324 1 553 . 1 1 54 54 LYS CA C 13 58.091 0.300 . 1 . . . . 54 LYS CA . 10324 1 554 . 1 1 54 54 LYS CB C 13 31.671 0.300 . 1 . . . . 54 LYS CB . 10324 1 555 . 1 1 54 54 LYS CD C 13 29.054 0.300 . 1 . . . . 54 LYS CD . 10324 1 556 . 1 1 54 54 LYS CE C 13 42.085 0.300 . 1 . . . . 54 LYS CE . 10324 1 557 . 1 1 54 54 LYS CG C 13 24.645 0.300 . 1 . . . . 54 LYS CG . 10324 1 558 . 1 1 55 55 ASN H H 1 8.847 0.030 . 1 . . . . 55 ASN H . 10324 1 559 . 1 1 55 55 ASN HA H 1 4.535 0.030 . 1 . . . . 55 ASN HA . 10324 1 560 . 1 1 55 55 ASN HB2 H 1 2.824 0.030 . 2 . . . . 55 ASN HB2 . 10324 1 561 . 1 1 55 55 ASN HB3 H 1 3.003 0.030 . 2 . . . . 55 ASN HB3 . 10324 1 562 . 1 1 55 55 ASN HD21 H 1 7.185 0.030 . 2 . . . . 55 ASN HD21 . 10324 1 563 . 1 1 55 55 ASN HD22 H 1 7.647 0.030 . 2 . . . . 55 ASN HD22 . 10324 1 564 . 1 1 55 55 ASN C C 13 173.270 0.300 . 1 . . . . 55 ASN C . 10324 1 565 . 1 1 55 55 ASN CA C 13 54.231 0.300 . 1 . . . . 55 ASN CA . 10324 1 566 . 1 1 55 55 ASN CB C 13 38.206 0.300 . 1 . . . . 55 ASN CB . 10324 1 567 . 1 1 55 55 ASN N N 15 117.769 0.300 . 1 . . . . 55 ASN N . 10324 1 568 . 1 1 55 55 ASN ND2 N 15 114.058 0.300 . 1 . . . . 55 ASN ND2 . 10324 1 569 . 1 1 56 56 SER H H 1 7.337 0.030 . 1 . . . . 56 SER H . 10324 1 570 . 1 1 56 56 SER HA H 1 5.064 0.030 . 1 . . . . 56 SER HA . 10324 1 571 . 1 1 56 56 SER HB2 H 1 3.489 0.030 . 2 . . . . 56 SER HB2 . 10324 1 572 . 1 1 56 56 SER HB3 H 1 3.346 0.030 . 2 . . . . 56 SER HB3 . 10324 1 573 . 1 1 56 56 SER C C 13 172.768 0.300 . 1 . . . . 56 SER C . 10324 1 574 . 1 1 56 56 SER CA C 13 57.712 0.300 . 1 . . . . 56 SER CA . 10324 1 575 . 1 1 56 56 SER CB C 13 64.910 0.300 . 1 . . . . 56 SER CB . 10324 1 576 . 1 1 56 56 SER N N 15 112.705 0.300 . 1 . . . . 56 SER N . 10324 1 577 . 1 1 57 57 HIS H H 1 8.686 0.030 . 1 . . . . 57 HIS H . 10324 1 578 . 1 1 57 57 HIS HA H 1 4.909 0.030 . 1 . . . . 57 HIS HA . 10324 1 579 . 1 1 57 57 HIS HB2 H 1 2.724 0.030 . 2 . . . . 57 HIS HB2 . 10324 1 580 . 1 1 57 57 HIS HB3 H 1 2.473 0.030 . 2 . . . . 57 HIS HB3 . 10324 1 581 . 1 1 57 57 HIS HD2 H 1 6.509 0.030 . 1 . . . . 57 HIS HD2 . 10324 1 582 . 1 1 57 57 HIS HE1 H 1 7.692 0.030 . 1 . . . . 57 HIS HE1 . 10324 1 583 . 1 1 57 57 HIS C C 13 173.891 0.300 . 1 . . . . 57 HIS C . 10324 1 584 . 1 1 57 57 HIS CA C 13 55.107 0.300 . 1 . . . . 57 HIS CA . 10324 1 585 . 1 1 57 57 HIS CB C 13 34.905 0.300 . 1 . . . . 57 HIS CB . 10324 1 586 . 1 1 57 57 HIS CD2 C 13 118.281 0.300 . 1 . . . . 57 HIS CD2 . 10324 1 587 . 1 1 57 57 HIS CE1 C 13 139.402 0.300 . 1 . . . . 57 HIS CE1 . 10324 1 588 . 1 1 57 57 HIS N N 15 124.132 0.300 . 1 . . . . 57 HIS N . 10324 1 589 . 1 1 58 58 CYS H H 1 9.294 0.030 . 1 . . . . 58 CYS H . 10324 1 590 . 1 1 58 58 CYS HA H 1 5.256 0.030 . 1 . . . . 58 CYS HA . 10324 1 591 . 1 1 58 58 CYS HB2 H 1 2.757 0.030 . 2 . . . . 58 CYS HB2 . 10324 1 592 . 1 1 58 58 CYS HB3 H 1 2.658 0.030 . 2 . . . . 58 CYS HB3 . 10324 1 593 . 1 1 58 58 CYS C C 13 173.614 0.300 . 1 . . . . 58 CYS C . 10324 1 594 . 1 1 58 58 CYS CA C 13 56.859 0.300 . 1 . . . . 58 CYS CA . 10324 1 595 . 1 1 58 58 CYS CB C 13 29.178 0.300 . 1 . . . . 58 CYS CB . 10324 1 596 . 1 1 58 58 CYS N N 15 122.669 0.300 . 1 . . . . 58 CYS N . 10324 1 597 . 1 1 59 59 VAL H H 1 9.046 0.030 . 1 . . . . 59 VAL H . 10324 1 598 . 1 1 59 59 VAL HA H 1 4.659 0.030 . 1 . . . . 59 VAL HA . 10324 1 599 . 1 1 59 59 VAL HB H 1 1.981 0.030 . 1 . . . . 59 VAL HB . 10324 1 600 . 1 1 59 59 VAL HG11 H 1 0.583 0.030 . 1 . . . . 59 VAL HG1 . 10324 1 601 . 1 1 59 59 VAL HG12 H 1 0.583 0.030 . 1 . . . . 59 VAL HG1 . 10324 1 602 . 1 1 59 59 VAL HG13 H 1 0.583 0.030 . 1 . . . . 59 VAL HG1 . 10324 1 603 . 1 1 59 59 VAL HG21 H 1 0.733 0.030 . 1 . . . . 59 VAL HG2 . 10324 1 604 . 1 1 59 59 VAL HG22 H 1 0.733 0.030 . 1 . . . . 59 VAL HG2 . 10324 1 605 . 1 1 59 59 VAL HG23 H 1 0.733 0.030 . 1 . . . . 59 VAL HG2 . 10324 1 606 . 1 1 59 59 VAL C C 13 174.212 0.300 . 1 . . . . 59 VAL C . 10324 1 607 . 1 1 59 59 VAL CA C 13 61.617 0.300 . 1 . . . . 59 VAL CA . 10324 1 608 . 1 1 59 59 VAL CB C 13 32.159 0.300 . 1 . . . . 59 VAL CB . 10324 1 609 . 1 1 59 59 VAL CG1 C 13 21.595 0.300 . 2 . . . . 59 VAL CG1 . 10324 1 610 . 1 1 59 59 VAL CG2 C 13 21.425 0.300 . 2 . . . . 59 VAL CG2 . 10324 1 611 . 1 1 59 59 VAL N N 15 128.765 0.300 . 1 . . . . 59 VAL N . 10324 1 612 . 1 1 60 60 ARG H H 1 9.009 0.030 . 1 . . . . 60 ARG H . 10324 1 613 . 1 1 60 60 ARG HA H 1 5.715 0.030 . 1 . . . . 60 ARG HA . 10324 1 614 . 1 1 60 60 ARG HB2 H 1 1.684 0.030 . 2 . . . . 60 ARG HB2 . 10324 1 615 . 1 1 60 60 ARG HB3 H 1 1.554 0.030 . 2 . . . . 60 ARG HB3 . 10324 1 616 . 1 1 60 60 ARG HD2 H 1 2.990 0.030 . 2 . . . . 60 ARG HD2 . 10324 1 617 . 1 1 60 60 ARG HD3 H 1 2.844 0.030 . 2 . . . . 60 ARG HD3 . 10324 1 618 . 1 1 60 60 ARG HE H 1 8.977 0.030 . 1 . . . . 60 ARG HE . 10324 1 619 . 1 1 60 60 ARG HG2 H 1 1.480 0.030 . 2 . . . . 60 ARG HG2 . 10324 1 620 . 1 1 60 60 ARG HG3 H 1 1.431 0.030 . 2 . . . . 60 ARG HG3 . 10324 1 621 . 1 1 60 60 ARG C C 13 175.910 0.300 . 1 . . . . 60 ARG C . 10324 1 622 . 1 1 60 60 ARG CA C 13 54.766 0.300 . 1 . . . . 60 ARG CA . 10324 1 623 . 1 1 60 60 ARG CB C 13 34.321 0.300 . 1 . . . . 60 ARG CB . 10324 1 624 . 1 1 60 60 ARG CD C 13 43.693 0.300 . 1 . . . . 60 ARG CD . 10324 1 625 . 1 1 60 60 ARG CG C 13 26.293 0.300 . 1 . . . . 60 ARG CG . 10324 1 626 . 1 1 60 60 ARG N N 15 128.111 0.300 . 1 . . . . 60 ARG N . 10324 1 627 . 1 1 60 60 ARG NE N 15 86.491 0.300 . 1 . . . . 60 ARG NE . 10324 1 628 . 1 1 61 61 PHE H H 1 8.679 0.030 . 1 . . . . 61 PHE H . 10324 1 629 . 1 1 61 61 PHE HA H 1 4.883 0.030 . 1 . . . . 61 PHE HA . 10324 1 630 . 1 1 61 61 PHE HB2 H 1 2.987 0.030 . 1 . . . . 61 PHE HB2 . 10324 1 631 . 1 1 61 61 PHE HB3 H 1 2.987 0.030 . 1 . . . . 61 PHE HB3 . 10324 1 632 . 1 1 61 61 PHE HD1 H 1 6.829 0.030 . 1 . . . . 61 PHE HD1 . 10324 1 633 . 1 1 61 61 PHE HD2 H 1 6.829 0.030 . 1 . . . . 61 PHE HD2 . 10324 1 634 . 1 1 61 61 PHE HE1 H 1 6.741 0.030 . 1 . . . . 61 PHE HE1 . 10324 1 635 . 1 1 61 61 PHE HE2 H 1 6.741 0.030 . 1 . . . . 61 PHE HE2 . 10324 1 636 . 1 1 61 61 PHE HZ H 1 6.524 0.030 . 1 . . . . 61 PHE HZ . 10324 1 637 . 1 1 61 61 PHE C C 13 171.687 0.300 . 1 . . . . 61 PHE C . 10324 1 638 . 1 1 61 61 PHE CA C 13 55.729 0.300 . 1 . . . . 61 PHE CA . 10324 1 639 . 1 1 61 61 PHE CB C 13 41.164 0.300 . 1 . . . . 61 PHE CB . 10324 1 640 . 1 1 61 61 PHE CD1 C 13 132.056 0.300 . 1 . . . . 61 PHE CD1 . 10324 1 641 . 1 1 61 61 PHE CD2 C 13 132.056 0.300 . 1 . . . . 61 PHE CD2 . 10324 1 642 . 1 1 61 61 PHE CE1 C 13 130.455 0.300 . 1 . . . . 61 PHE CE1 . 10324 1 643 . 1 1 61 61 PHE CE2 C 13 130.455 0.300 . 1 . . . . 61 PHE CE2 . 10324 1 644 . 1 1 61 61 PHE CZ C 13 128.963 0.300 . 1 . . . . 61 PHE CZ . 10324 1 645 . 1 1 61 61 PHE N N 15 123.046 0.300 . 1 . . . . 61 PHE N . 10324 1 646 . 1 1 62 62 VAL H H 1 8.494 0.030 . 1 . . . . 62 VAL H . 10324 1 647 . 1 1 62 62 VAL HA H 1 4.674 0.030 . 1 . . . . 62 VAL HA . 10324 1 648 . 1 1 62 62 VAL HB H 1 1.880 0.030 . 1 . . . . 62 VAL HB . 10324 1 649 . 1 1 62 62 VAL HG11 H 1 0.540 0.030 . 1 . . . . 62 VAL HG1 . 10324 1 650 . 1 1 62 62 VAL HG12 H 1 0.540 0.030 . 1 . . . . 62 VAL HG1 . 10324 1 651 . 1 1 62 62 VAL HG13 H 1 0.540 0.030 . 1 . . . . 62 VAL HG1 . 10324 1 652 . 1 1 62 62 VAL HG21 H 1 0.698 0.030 . 1 . . . . 62 VAL HG2 . 10324 1 653 . 1 1 62 62 VAL HG22 H 1 0.698 0.030 . 1 . . . . 62 VAL HG2 . 10324 1 654 . 1 1 62 62 VAL HG23 H 1 0.698 0.030 . 1 . . . . 62 VAL HG2 . 10324 1 655 . 1 1 62 62 VAL C C 13 174.416 0.300 . 1 . . . . 62 VAL C . 10324 1 656 . 1 1 62 62 VAL CA C 13 58.388 0.300 . 1 . . . . 62 VAL CA . 10324 1 657 . 1 1 62 62 VAL CB C 13 32.691 0.300 . 1 . . . . 62 VAL CB . 10324 1 658 . 1 1 62 62 VAL CG1 C 13 20.306 0.300 . 2 . . . . 62 VAL CG1 . 10324 1 659 . 1 1 62 62 VAL CG2 C 13 20.840 0.300 . 2 . . . . 62 VAL CG2 . 10324 1 660 . 1 1 62 62 VAL N N 15 122.154 0.300 . 1 . . . . 62 VAL N . 10324 1 661 . 1 1 63 63 PRO HA H 1 4.625 0.030 . 1 . . . . 63 PRO HA . 10324 1 662 . 1 1 63 63 PRO HB2 H 1 1.838 0.030 . 2 . . . . 63 PRO HB2 . 10324 1 663 . 1 1 63 63 PRO HB3 H 1 2.082 0.030 . 2 . . . . 63 PRO HB3 . 10324 1 664 . 1 1 63 63 PRO HD2 H 1 4.259 0.030 . 2 . . . . 63 PRO HD2 . 10324 1 665 . 1 1 63 63 PRO HD3 H 1 3.333 0.030 . 2 . . . . 63 PRO HD3 . 10324 1 666 . 1 1 63 63 PRO HG2 H 1 1.847 0.030 . 2 . . . . 63 PRO HG2 . 10324 1 667 . 1 1 63 63 PRO HG3 H 1 1.539 0.030 . 2 . . . . 63 PRO HG3 . 10324 1 668 . 1 1 63 63 PRO C C 13 176.730 0.300 . 1 . . . . 63 PRO C . 10324 1 669 . 1 1 63 63 PRO CA C 13 62.597 0.300 . 1 . . . . 63 PRO CA . 10324 1 670 . 1 1 63 63 PRO CB C 13 33.595 0.300 . 1 . . . . 63 PRO CB . 10324 1 671 . 1 1 63 63 PRO CD C 13 51.716 0.300 . 1 . . . . 63 PRO CD . 10324 1 672 . 1 1 63 63 PRO CG C 13 27.619 0.300 . 1 . . . . 63 PRO CG . 10324 1 673 . 1 1 64 64 GLN H H 1 9.835 0.030 . 1 . . . . 64 GLN H . 10324 1 674 . 1 1 64 64 GLN HA H 1 4.553 0.030 . 1 . . . . 64 GLN HA . 10324 1 675 . 1 1 64 64 GLN HB2 H 1 1.896 0.030 . 2 . . . . 64 GLN HB2 . 10324 1 676 . 1 1 64 64 GLN HB3 H 1 2.361 0.030 . 2 . . . . 64 GLN HB3 . 10324 1 677 . 1 1 64 64 GLN HE21 H 1 6.874 0.030 . 2 . . . . 64 GLN HE21 . 10324 1 678 . 1 1 64 64 GLN HE22 H 1 7.391 0.030 . 2 . . . . 64 GLN HE22 . 10324 1 679 . 1 1 64 64 GLN HG2 H 1 2.412 0.030 . 1 . . . . 64 GLN HG2 . 10324 1 680 . 1 1 64 64 GLN HG3 H 1 2.412 0.030 . 1 . . . . 64 GLN HG3 . 10324 1 681 . 1 1 64 64 GLN C C 13 174.966 0.300 . 1 . . . . 64 GLN C . 10324 1 682 . 1 1 64 64 GLN CA C 13 55.035 0.300 . 1 . . . . 64 GLN CA . 10324 1 683 . 1 1 64 64 GLN CB C 13 31.275 0.300 . 1 . . . . 64 GLN CB . 10324 1 684 . 1 1 64 64 GLN CG C 13 33.606 0.300 . 1 . . . . 64 GLN CG . 10324 1 685 . 1 1 64 64 GLN N N 15 119.959 0.300 . 1 . . . . 64 GLN N . 10324 1 686 . 1 1 64 64 GLN NE2 N 15 112.432 0.300 . 1 . . . . 64 GLN NE2 . 10324 1 687 . 1 1 65 65 GLU H H 1 7.971 0.030 . 1 . . . . 65 GLU H . 10324 1 688 . 1 1 65 65 GLU HA H 1 4.604 0.030 . 1 . . . . 65 GLU HA . 10324 1 689 . 1 1 65 65 GLU HB2 H 1 1.907 0.030 . 2 . . . . 65 GLU HB2 . 10324 1 690 . 1 1 65 65 GLU HB3 H 1 2.191 0.030 . 2 . . . . 65 GLU HB3 . 10324 1 691 . 1 1 65 65 GLU HG2 H 1 2.373 0.030 . 2 . . . . 65 GLU HG2 . 10324 1 692 . 1 1 65 65 GLU HG3 H 1 2.180 0.030 . 2 . . . . 65 GLU HG3 . 10324 1 693 . 1 1 65 65 GLU C C 13 173.894 0.300 . 1 . . . . 65 GLU C . 10324 1 694 . 1 1 65 65 GLU CA C 13 54.209 0.300 . 1 . . . . 65 GLU CA . 10324 1 695 . 1 1 65 65 GLU CB C 13 33.982 0.300 . 1 . . . . 65 GLU CB . 10324 1 696 . 1 1 65 65 GLU CG C 13 35.729 0.300 . 1 . . . . 65 GLU CG . 10324 1 697 . 1 1 65 65 GLU N N 15 119.243 0.300 . 1 . . . . 65 GLU N . 10324 1 698 . 1 1 66 66 MET H H 1 8.418 0.030 . 1 . . . . 66 MET H . 10324 1 699 . 1 1 66 66 MET HA H 1 4.233 0.030 . 1 . . . . 66 MET HA . 10324 1 700 . 1 1 66 66 MET HB2 H 1 2.032 0.030 . 2 . . . . 66 MET HB2 . 10324 1 701 . 1 1 66 66 MET HB3 H 1 1.951 0.030 . 2 . . . . 66 MET HB3 . 10324 1 702 . 1 1 66 66 MET HE1 H 1 2.097 0.030 . 1 . . . . 66 MET HE . 10324 1 703 . 1 1 66 66 MET HE2 H 1 2.097 0.030 . 1 . . . . 66 MET HE . 10324 1 704 . 1 1 66 66 MET HE3 H 1 2.097 0.030 . 1 . . . . 66 MET HE . 10324 1 705 . 1 1 66 66 MET HG2 H 1 2.507 0.030 . 2 . . . . 66 MET HG2 . 10324 1 706 . 1 1 66 66 MET HG3 H 1 2.405 0.030 . 2 . . . . 66 MET HG3 . 10324 1 707 . 1 1 66 66 MET C C 13 175.961 0.300 . 1 . . . . 66 MET C . 10324 1 708 . 1 1 66 66 MET CA C 13 55.369 0.300 . 1 . . . . 66 MET CA . 10324 1 709 . 1 1 66 66 MET CB C 13 34.431 0.300 . 1 . . . . 66 MET CB . 10324 1 710 . 1 1 66 66 MET CE C 13 17.214 0.300 . 1 . . . . 66 MET CE . 10324 1 711 . 1 1 66 66 MET CG C 13 32.228 0.300 . 1 . . . . 66 MET CG . 10324 1 712 . 1 1 66 66 MET N N 15 117.096 0.300 . 1 . . . . 66 MET N . 10324 1 713 . 1 1 67 67 GLY H H 1 9.017 0.030 . 1 . . . . 67 GLY H . 10324 1 714 . 1 1 67 67 GLY HA2 H 1 3.897 0.030 . 2 . . . . 67 GLY HA2 . 10324 1 715 . 1 1 67 67 GLY HA3 H 1 4.810 0.030 . 2 . . . . 67 GLY HA3 . 10324 1 716 . 1 1 67 67 GLY C C 13 176.450 0.300 . 1 . . . . 67 GLY C . 10324 1 717 . 1 1 67 67 GLY CA C 13 43.789 0.300 . 1 . . . . 67 GLY CA . 10324 1 718 . 1 1 67 67 GLY N N 15 106.794 0.300 . 1 . . . . 67 GLY N . 10324 1 719 . 1 1 68 68 VAL H H 1 9.274 0.030 . 1 . . . . 68 VAL H . 10324 1 720 . 1 1 68 68 VAL HA H 1 4.127 0.030 . 1 . . . . 68 VAL HA . 10324 1 721 . 1 1 68 68 VAL HB H 1 1.929 0.030 . 1 . . . . 68 VAL HB . 10324 1 722 . 1 1 68 68 VAL HG11 H 1 0.732 0.030 . 1 . . . . 68 VAL HG1 . 10324 1 723 . 1 1 68 68 VAL HG12 H 1 0.732 0.030 . 1 . . . . 68 VAL HG1 . 10324 1 724 . 1 1 68 68 VAL HG13 H 1 0.732 0.030 . 1 . . . . 68 VAL HG1 . 10324 1 725 . 1 1 68 68 VAL HG21 H 1 0.967 0.030 . 1 . . . . 68 VAL HG2 . 10324 1 726 . 1 1 68 68 VAL HG22 H 1 0.967 0.030 . 1 . . . . 68 VAL HG2 . 10324 1 727 . 1 1 68 68 VAL HG23 H 1 0.967 0.030 . 1 . . . . 68 VAL HG2 . 10324 1 728 . 1 1 68 68 VAL C C 13 175.920 0.300 . 1 . . . . 68 VAL C . 10324 1 729 . 1 1 68 68 VAL CA C 13 64.962 0.300 . 1 . . . . 68 VAL CA . 10324 1 730 . 1 1 68 68 VAL CB C 13 31.372 0.300 . 1 . . . . 68 VAL CB . 10324 1 731 . 1 1 68 68 VAL CG1 C 13 21.200 0.300 . 2 . . . . 68 VAL CG1 . 10324 1 732 . 1 1 68 68 VAL CG2 C 13 21.577 0.300 . 2 . . . . 68 VAL CG2 . 10324 1 733 . 1 1 68 68 VAL N N 15 125.238 0.300 . 1 . . . . 68 VAL N . 10324 1 734 . 1 1 69 69 HIS H H 1 9.513 0.030 . 1 . . . . 69 HIS H . 10324 1 735 . 1 1 69 69 HIS HA H 1 4.756 0.030 . 1 . . . . 69 HIS HA . 10324 1 736 . 1 1 69 69 HIS HB2 H 1 2.531 0.030 . 2 . . . . 69 HIS HB2 . 10324 1 737 . 1 1 69 69 HIS HB3 H 1 2.370 0.030 . 2 . . . . 69 HIS HB3 . 10324 1 738 . 1 1 69 69 HIS HD2 H 1 6.563 0.030 . 1 . . . . 69 HIS HD2 . 10324 1 739 . 1 1 69 69 HIS HE1 H 1 7.837 0.030 . 1 . . . . 69 HIS HE1 . 10324 1 740 . 1 1 69 69 HIS C C 13 174.039 0.300 . 1 . . . . 69 HIS C . 10324 1 741 . 1 1 69 69 HIS CA C 13 55.035 0.300 . 1 . . . . 69 HIS CA . 10324 1 742 . 1 1 69 69 HIS CB C 13 31.422 0.300 . 1 . . . . 69 HIS CB . 10324 1 743 . 1 1 69 69 HIS CD2 C 13 127.467 0.300 . 1 . . . . 69 HIS CD2 . 10324 1 744 . 1 1 69 69 HIS CE1 C 13 140.247 0.300 . 1 . . . . 69 HIS CE1 . 10324 1 745 . 1 1 69 69 HIS N N 15 128.339 0.300 . 1 . . . . 69 HIS N . 10324 1 746 . 1 1 70 70 THR H H 1 8.395 0.030 . 1 . . . . 70 THR H . 10324 1 747 . 1 1 70 70 THR HA H 1 5.186 0.030 . 1 . . . . 70 THR HA . 10324 1 748 . 1 1 70 70 THR HB H 1 3.861 0.030 . 1 . . . . 70 THR HB . 10324 1 749 . 1 1 70 70 THR HG21 H 1 1.097 0.030 . 1 . . . . 70 THR HG2 . 10324 1 750 . 1 1 70 70 THR HG22 H 1 1.097 0.030 . 1 . . . . 70 THR HG2 . 10324 1 751 . 1 1 70 70 THR HG23 H 1 1.097 0.030 . 1 . . . . 70 THR HG2 . 10324 1 752 . 1 1 70 70 THR C C 13 173.869 0.300 . 1 . . . . 70 THR C . 10324 1 753 . 1 1 70 70 THR CA C 13 60.911 0.300 . 1 . . . . 70 THR CA . 10324 1 754 . 1 1 70 70 THR CB C 13 70.769 0.300 . 1 . . . . 70 THR CB . 10324 1 755 . 1 1 70 70 THR CG2 C 13 21.853 0.300 . 1 . . . . 70 THR CG2 . 10324 1 756 . 1 1 70 70 THR N N 15 114.416 0.300 . 1 . . . . 70 THR N . 10324 1 757 . 1 1 71 71 VAL H H 1 9.659 0.030 . 1 . . . . 71 VAL H . 10324 1 758 . 1 1 71 71 VAL HA H 1 4.757 0.030 . 1 . . . . 71 VAL HA . 10324 1 759 . 1 1 71 71 VAL HB H 1 1.821 0.030 . 1 . . . . 71 VAL HB . 10324 1 760 . 1 1 71 71 VAL HG11 H 1 0.661 0.030 . 1 . . . . 71 VAL HG1 . 10324 1 761 . 1 1 71 71 VAL HG12 H 1 0.661 0.030 . 1 . . . . 71 VAL HG1 . 10324 1 762 . 1 1 71 71 VAL HG13 H 1 0.661 0.030 . 1 . . . . 71 VAL HG1 . 10324 1 763 . 1 1 71 71 VAL HG21 H 1 0.633 0.030 . 1 . . . . 71 VAL HG2 . 10324 1 764 . 1 1 71 71 VAL HG22 H 1 0.633 0.030 . 1 . . . . 71 VAL HG2 . 10324 1 765 . 1 1 71 71 VAL HG23 H 1 0.633 0.030 . 1 . . . . 71 VAL HG2 . 10324 1 766 . 1 1 71 71 VAL C C 13 174.712 0.300 . 1 . . . . 71 VAL C . 10324 1 767 . 1 1 71 71 VAL CA C 13 60.763 0.300 . 1 . . . . 71 VAL CA . 10324 1 768 . 1 1 71 71 VAL CB C 13 33.619 0.300 . 1 . . . . 71 VAL CB . 10324 1 769 . 1 1 71 71 VAL CG1 C 13 20.946 0.300 . 2 . . . . 71 VAL CG1 . 10324 1 770 . 1 1 71 71 VAL CG2 C 13 21.291 0.300 . 2 . . . . 71 VAL CG2 . 10324 1 771 . 1 1 71 71 VAL N N 15 127.259 0.300 . 1 . . . . 71 VAL N . 10324 1 772 . 1 1 72 72 SER H H 1 9.066 0.030 . 1 . . . . 72 SER H . 10324 1 773 . 1 1 72 72 SER HA H 1 5.060 0.030 . 1 . . . . 72 SER HA . 10324 1 774 . 1 1 72 72 SER HB2 H 1 3.585 0.030 . 2 . . . . 72 SER HB2 . 10324 1 775 . 1 1 72 72 SER HB3 H 1 3.714 0.030 . 2 . . . . 72 SER HB3 . 10324 1 776 . 1 1 72 72 SER C C 13 173.673 0.300 . 1 . . . . 72 SER C . 10324 1 777 . 1 1 72 72 SER CA C 13 56.971 0.300 . 1 . . . . 72 SER CA . 10324 1 778 . 1 1 72 72 SER CB C 13 64.645 0.300 . 1 . . . . 72 SER CB . 10324 1 779 . 1 1 72 72 SER N N 15 123.376 0.300 . 1 . . . . 72 SER N . 10324 1 780 . 1 1 73 73 VAL H H 1 9.903 0.030 . 1 . . . . 73 VAL H . 10324 1 781 . 1 1 73 73 VAL HA H 1 4.847 0.030 . 1 . . . . 73 VAL HA . 10324 1 782 . 1 1 73 73 VAL HB H 1 2.039 0.030 . 1 . . . . 73 VAL HB . 10324 1 783 . 1 1 73 73 VAL HG11 H 1 0.779 0.030 . 1 . . . . 73 VAL HG1 . 10324 1 784 . 1 1 73 73 VAL HG12 H 1 0.779 0.030 . 1 . . . . 73 VAL HG1 . 10324 1 785 . 1 1 73 73 VAL HG13 H 1 0.779 0.030 . 1 . . . . 73 VAL HG1 . 10324 1 786 . 1 1 73 73 VAL HG21 H 1 0.895 0.030 . 1 . . . . 73 VAL HG2 . 10324 1 787 . 1 1 73 73 VAL HG22 H 1 0.895 0.030 . 1 . . . . 73 VAL HG2 . 10324 1 788 . 1 1 73 73 VAL HG23 H 1 0.895 0.030 . 1 . . . . 73 VAL HG2 . 10324 1 789 . 1 1 73 73 VAL C C 13 174.086 0.300 . 1 . . . . 73 VAL C . 10324 1 790 . 1 1 73 73 VAL CA C 13 61.580 0.300 . 1 . . . . 73 VAL CA . 10324 1 791 . 1 1 73 73 VAL CB C 13 33.533 0.300 . 1 . . . . 73 VAL CB . 10324 1 792 . 1 1 73 73 VAL CG1 C 13 22.436 0.300 . 2 . . . . 73 VAL CG1 . 10324 1 793 . 1 1 73 73 VAL CG2 C 13 21.475 0.300 . 2 . . . . 73 VAL CG2 . 10324 1 794 . 1 1 73 73 VAL N N 15 129.114 0.300 . 1 . . . . 73 VAL N . 10324 1 795 . 1 1 74 74 LYS H H 1 8.720 0.030 . 1 . . . . 74 LYS H . 10324 1 796 . 1 1 74 74 LYS HA H 1 5.108 0.030 . 1 . . . . 74 LYS HA . 10324 1 797 . 1 1 74 74 LYS HB2 H 1 1.502 0.030 . 2 . . . . 74 LYS HB2 . 10324 1 798 . 1 1 74 74 LYS HB3 H 1 1.016 0.030 . 2 . . . . 74 LYS HB3 . 10324 1 799 . 1 1 74 74 LYS HD2 H 1 0.860 0.030 . 2 . . . . 74 LYS HD2 . 10324 1 800 . 1 1 74 74 LYS HD3 H 1 1.140 0.030 . 2 . . . . 74 LYS HD3 . 10324 1 801 . 1 1 74 74 LYS HE2 H 1 1.815 0.030 . 2 . . . . 74 LYS HE2 . 10324 1 802 . 1 1 74 74 LYS HE3 H 1 2.102 0.030 . 2 . . . . 74 LYS HE3 . 10324 1 803 . 1 1 74 74 LYS HG2 H 1 0.872 0.030 . 2 . . . . 74 LYS HG2 . 10324 1 804 . 1 1 74 74 LYS HG3 H 1 0.283 0.030 . 2 . . . . 74 LYS HG3 . 10324 1 805 . 1 1 74 74 LYS C C 13 174.838 0.300 . 1 . . . . 74 LYS C . 10324 1 806 . 1 1 74 74 LYS CA C 13 54.342 0.300 . 1 . . . . 74 LYS CA . 10324 1 807 . 1 1 74 74 LYS CB C 13 37.576 0.300 . 1 . . . . 74 LYS CB . 10324 1 808 . 1 1 74 74 LYS CD C 13 29.238 0.300 . 1 . . . . 74 LYS CD . 10324 1 809 . 1 1 74 74 LYS CE C 13 41.156 0.300 . 1 . . . . 74 LYS CE . 10324 1 810 . 1 1 74 74 LYS CG C 13 25.063 0.300 . 1 . . . . 74 LYS CG . 10324 1 811 . 1 1 74 74 LYS N N 15 123.736 0.300 . 1 . . . . 74 LYS N . 10324 1 812 . 1 1 75 75 TYR H H 1 8.881 0.030 . 1 . . . . 75 TYR H . 10324 1 813 . 1 1 75 75 TYR HA H 1 4.878 0.030 . 1 . . . . 75 TYR HA . 10324 1 814 . 1 1 75 75 TYR HB2 H 1 2.765 0.030 . 2 . . . . 75 TYR HB2 . 10324 1 815 . 1 1 75 75 TYR HB3 H 1 2.635 0.030 . 2 . . . . 75 TYR HB3 . 10324 1 816 . 1 1 75 75 TYR HD1 H 1 7.021 0.030 . 1 . . . . 75 TYR HD1 . 10324 1 817 . 1 1 75 75 TYR HD2 H 1 7.021 0.030 . 1 . . . . 75 TYR HD2 . 10324 1 818 . 1 1 75 75 TYR HE1 H 1 6.810 0.030 . 1 . . . . 75 TYR HE1 . 10324 1 819 . 1 1 75 75 TYR HE2 H 1 6.810 0.030 . 1 . . . . 75 TYR HE2 . 10324 1 820 . 1 1 75 75 TYR C C 13 175.240 0.300 . 1 . . . . 75 TYR C . 10324 1 821 . 1 1 75 75 TYR CA C 13 55.995 0.300 . 1 . . . . 75 TYR CA . 10324 1 822 . 1 1 75 75 TYR CB C 13 41.362 0.300 . 1 . . . . 75 TYR CB . 10324 1 823 . 1 1 75 75 TYR CD1 C 13 133.309 0.300 . 1 . . . . 75 TYR CD1 . 10324 1 824 . 1 1 75 75 TYR CD2 C 13 133.309 0.300 . 1 . . . . 75 TYR CD2 . 10324 1 825 . 1 1 75 75 TYR CE1 C 13 118.256 0.300 . 1 . . . . 75 TYR CE1 . 10324 1 826 . 1 1 75 75 TYR CE2 C 13 118.256 0.300 . 1 . . . . 75 TYR CE2 . 10324 1 827 . 1 1 75 75 TYR N N 15 120.392 0.300 . 1 . . . . 75 TYR N . 10324 1 828 . 1 1 76 76 ARG H H 1 9.102 0.030 . 1 . . . . 76 ARG H . 10324 1 829 . 1 1 76 76 ARG HA H 1 3.606 0.030 . 1 . . . . 76 ARG HA . 10324 1 830 . 1 1 76 76 ARG HB2 H 1 1.305 0.030 . 2 . . . . 76 ARG HB2 . 10324 1 831 . 1 1 76 76 ARG HB3 H 1 1.662 0.030 . 2 . . . . 76 ARG HB3 . 10324 1 832 . 1 1 76 76 ARG HD2 H 1 2.807 0.030 . 2 . . . . 76 ARG HD2 . 10324 1 833 . 1 1 76 76 ARG HD3 H 1 2.757 0.030 . 2 . . . . 76 ARG HD3 . 10324 1 834 . 1 1 76 76 ARG HG2 H 1 0.910 0.030 . 2 . . . . 76 ARG HG2 . 10324 1 835 . 1 1 76 76 ARG HG3 H 1 0.379 0.030 . 2 . . . . 76 ARG HG3 . 10324 1 836 . 1 1 76 76 ARG C C 13 176.466 0.300 . 1 . . . . 76 ARG C . 10324 1 837 . 1 1 76 76 ARG CA C 13 57.064 0.300 . 1 . . . . 76 ARG CA . 10324 1 838 . 1 1 76 76 ARG CB C 13 27.479 0.300 . 1 . . . . 76 ARG CB . 10324 1 839 . 1 1 76 76 ARG CD C 13 43.725 0.300 . 1 . . . . 76 ARG CD . 10324 1 840 . 1 1 76 76 ARG CG C 13 26.869 0.300 . 1 . . . . 76 ARG CG . 10324 1 841 . 1 1 76 76 ARG N N 15 127.215 0.300 . 1 . . . . 76 ARG N . 10324 1 842 . 1 1 77 77 GLY H H 1 8.541 0.030 . 1 . . . . 77 GLY H . 10324 1 843 . 1 1 77 77 GLY HA2 H 1 3.409 0.030 . 2 . . . . 77 GLY HA2 . 10324 1 844 . 1 1 77 77 GLY HA3 H 1 4.049 0.030 . 2 . . . . 77 GLY HA3 . 10324 1 845 . 1 1 77 77 GLY C C 13 173.614 0.300 . 1 . . . . 77 GLY C . 10324 1 846 . 1 1 77 77 GLY CA C 13 45.321 0.300 . 1 . . . . 77 GLY CA . 10324 1 847 . 1 1 77 77 GLY N N 15 102.378 0.300 . 1 . . . . 77 GLY N . 10324 1 848 . 1 1 78 78 GLN H H 1 7.619 0.030 . 1 . . . . 78 GLN H . 10324 1 849 . 1 1 78 78 GLN HA H 1 4.687 0.030 . 1 . . . . 78 GLN HA . 10324 1 850 . 1 1 78 78 GLN HB2 H 1 1.940 0.030 . 2 . . . . 78 GLN HB2 . 10324 1 851 . 1 1 78 78 GLN HB3 H 1 2.166 0.030 . 2 . . . . 78 GLN HB3 . 10324 1 852 . 1 1 78 78 GLN HE21 H 1 6.871 0.030 . 2 . . . . 78 GLN HE21 . 10324 1 853 . 1 1 78 78 GLN HE22 H 1 7.570 0.030 . 2 . . . . 78 GLN HE22 . 10324 1 854 . 1 1 78 78 GLN HG2 H 1 2.280 0.030 . 2 . . . . 78 GLN HG2 . 10324 1 855 . 1 1 78 78 GLN HG3 H 1 2.375 0.030 . 2 . . . . 78 GLN HG3 . 10324 1 856 . 1 1 78 78 GLN C C 13 175.671 0.300 . 1 . . . . 78 GLN C . 10324 1 857 . 1 1 78 78 GLN CA C 13 53.249 0.300 . 1 . . . . 78 GLN CA . 10324 1 858 . 1 1 78 78 GLN CB C 13 31.298 0.300 . 1 . . . . 78 GLN CB . 10324 1 859 . 1 1 78 78 GLN CG C 13 33.200 0.300 . 1 . . . . 78 GLN CG . 10324 1 860 . 1 1 78 78 GLN N N 15 118.980 0.300 . 1 . . . . 78 GLN N . 10324 1 861 . 1 1 78 78 GLN NE2 N 15 112.903 0.300 . 1 . . . . 78 GLN NE2 . 10324 1 862 . 1 1 79 79 HIS H H 1 8.759 0.030 . 1 . . . . 79 HIS H . 10324 1 863 . 1 1 79 79 HIS HA H 1 4.493 0.030 . 1 . . . . 79 HIS HA . 10324 1 864 . 1 1 79 79 HIS HB2 H 1 3.168 0.030 . 2 . . . . 79 HIS HB2 . 10324 1 865 . 1 1 79 79 HIS HB3 H 1 2.872 0.030 . 2 . . . . 79 HIS HB3 . 10324 1 866 . 1 1 79 79 HIS HD2 H 1 7.163 0.030 . 1 . . . . 79 HIS HD2 . 10324 1 867 . 1 1 79 79 HIS HE1 H 1 7.639 0.030 . 1 . . . . 79 HIS HE1 . 10324 1 868 . 1 1 79 79 HIS C C 13 178.136 0.300 . 1 . . . . 79 HIS C . 10324 1 869 . 1 1 79 79 HIS CA C 13 58.905 0.300 . 1 . . . . 79 HIS CA . 10324 1 870 . 1 1 79 79 HIS CB C 13 32.326 0.300 . 1 . . . . 79 HIS CB . 10324 1 871 . 1 1 79 79 HIS CD2 C 13 118.221 0.300 . 1 . . . . 79 HIS CD2 . 10324 1 872 . 1 1 79 79 HIS CE1 C 13 137.498 0.300 . 1 . . . . 79 HIS CE1 . 10324 1 873 . 1 1 79 79 HIS N N 15 123.288 0.300 . 1 . . . . 79 HIS N . 10324 1 874 . 1 1 80 80 VAL H H 1 8.399 0.030 . 1 . . . . 80 VAL H . 10324 1 875 . 1 1 80 80 VAL HA H 1 4.487 0.030 . 1 . . . . 80 VAL HA . 10324 1 876 . 1 1 80 80 VAL HB H 1 2.448 0.030 . 1 . . . . 80 VAL HB . 10324 1 877 . 1 1 80 80 VAL HG11 H 1 0.933 0.030 . 1 . . . . 80 VAL HG1 . 10324 1 878 . 1 1 80 80 VAL HG12 H 1 0.933 0.030 . 1 . . . . 80 VAL HG1 . 10324 1 879 . 1 1 80 80 VAL HG13 H 1 0.933 0.030 . 1 . . . . 80 VAL HG1 . 10324 1 880 . 1 1 80 80 VAL HG21 H 1 0.925 0.030 . 1 . . . . 80 VAL HG2 . 10324 1 881 . 1 1 80 80 VAL HG22 H 1 0.925 0.030 . 1 . . . . 80 VAL HG2 . 10324 1 882 . 1 1 80 80 VAL HG23 H 1 0.925 0.030 . 1 . . . . 80 VAL HG2 . 10324 1 883 . 1 1 80 80 VAL C C 13 176.009 0.300 . 1 . . . . 80 VAL C . 10324 1 884 . 1 1 80 80 VAL CA C 13 60.338 0.300 . 1 . . . . 80 VAL CA . 10324 1 885 . 1 1 80 80 VAL CB C 13 32.473 0.300 . 1 . . . . 80 VAL CB . 10324 1 886 . 1 1 80 80 VAL CG1 C 13 21.859 0.300 . 2 . . . . 80 VAL CG1 . 10324 1 887 . 1 1 80 80 VAL CG2 C 13 17.644 0.300 . 2 . . . . 80 VAL CG2 . 10324 1 888 . 1 1 80 80 VAL N N 15 117.720 0.300 . 1 . . . . 80 VAL N . 10324 1 889 . 1 1 81 81 THR H H 1 8.470 0.030 . 1 . . . . 81 THR H . 10324 1 890 . 1 1 81 81 THR HA H 1 3.870 0.030 . 1 . . . . 81 THR HA . 10324 1 891 . 1 1 81 81 THR HB H 1 4.001 0.030 . 1 . . . . 81 THR HB . 10324 1 892 . 1 1 81 81 THR HG21 H 1 1.232 0.030 . 1 . . . . 81 THR HG2 . 10324 1 893 . 1 1 81 81 THR HG22 H 1 1.232 0.030 . 1 . . . . 81 THR HG2 . 10324 1 894 . 1 1 81 81 THR HG23 H 1 1.232 0.030 . 1 . . . . 81 THR HG2 . 10324 1 895 . 1 1 81 81 THR C C 13 174.758 0.300 . 1 . . . . 81 THR C . 10324 1 896 . 1 1 81 81 THR CA C 13 65.458 0.300 . 1 . . . . 81 THR CA . 10324 1 897 . 1 1 81 81 THR CB C 13 68.914 0.300 . 1 . . . . 81 THR CB . 10324 1 898 . 1 1 81 81 THR CG2 C 13 21.567 0.300 . 1 . . . . 81 THR CG2 . 10324 1 899 . 1 1 81 81 THR N N 15 118.066 0.300 . 1 . . . . 81 THR N . 10324 1 900 . 1 1 82 82 GLY H H 1 8.520 0.030 . 1 . . . . 82 GLY H . 10324 1 901 . 1 1 82 82 GLY HA2 H 1 3.300 0.030 . 2 . . . . 82 GLY HA2 . 10324 1 902 . 1 1 82 82 GLY HA3 H 1 4.157 0.030 . 2 . . . . 82 GLY HA3 . 10324 1 903 . 1 1 82 82 GLY C C 13 172.148 0.300 . 1 . . . . 82 GLY C . 10324 1 904 . 1 1 82 82 GLY CA C 13 44.754 0.300 . 1 . . . . 82 GLY CA . 10324 1 905 . 1 1 82 82 GLY N N 15 116.117 0.300 . 1 . . . . 82 GLY N . 10324 1 906 . 1 1 83 83 SER H H 1 7.751 0.030 . 1 . . . . 83 SER H . 10324 1 907 . 1 1 83 83 SER HA H 1 4.089 0.030 . 1 . . . . 83 SER HA . 10324 1 908 . 1 1 83 83 SER HB2 H 1 3.690 0.030 . 2 . . . . 83 SER HB2 . 10324 1 909 . 1 1 83 83 SER HB3 H 1 4.474 0.030 . 2 . . . . 83 SER HB3 . 10324 1 910 . 1 1 83 83 SER C C 13 174.132 0.300 . 1 . . . . 83 SER C . 10324 1 911 . 1 1 83 83 SER CA C 13 54.608 0.300 . 1 . . . . 83 SER CA . 10324 1 912 . 1 1 83 83 SER CB C 13 62.699 0.300 . 1 . . . . 83 SER CB . 10324 1 913 . 1 1 83 83 SER N N 15 112.999 0.300 . 1 . . . . 83 SER N . 10324 1 914 . 1 1 84 84 PRO HA H 1 5.486 0.030 . 1 . . . . 84 PRO HA . 10324 1 915 . 1 1 84 84 PRO HB2 H 1 1.728 0.030 . 2 . . . . 84 PRO HB2 . 10324 1 916 . 1 1 84 84 PRO HB3 H 1 2.116 0.030 . 2 . . . . 84 PRO HB3 . 10324 1 917 . 1 1 84 84 PRO HD2 H 1 3.200 0.030 . 2 . . . . 84 PRO HD2 . 10324 1 918 . 1 1 84 84 PRO HD3 H 1 2.263 0.030 . 2 . . . . 84 PRO HD3 . 10324 1 919 . 1 1 84 84 PRO HG2 H 1 1.722 0.030 . 1 . . . . 84 PRO HG2 . 10324 1 920 . 1 1 84 84 PRO HG3 H 1 1.722 0.030 . 1 . . . . 84 PRO HG3 . 10324 1 921 . 1 1 84 84 PRO C C 13 176.028 0.300 . 1 . . . . 84 PRO C . 10324 1 922 . 1 1 84 84 PRO CA C 13 62.565 0.300 . 1 . . . . 84 PRO CA . 10324 1 923 . 1 1 84 84 PRO CB C 13 34.450 0.300 . 1 . . . . 84 PRO CB . 10324 1 924 . 1 1 84 84 PRO CD C 13 49.817 0.300 . 1 . . . . 84 PRO CD . 10324 1 925 . 1 1 84 84 PRO CG C 13 24.405 0.300 . 1 . . . . 84 PRO CG . 10324 1 926 . 1 1 85 85 PHE H H 1 9.103 0.030 . 1 . . . . 85 PHE H . 10324 1 927 . 1 1 85 85 PHE HA H 1 4.771 0.030 . 1 . . . . 85 PHE HA . 10324 1 928 . 1 1 85 85 PHE HB2 H 1 2.941 0.030 . 2 . . . . 85 PHE HB2 . 10324 1 929 . 1 1 85 85 PHE HB3 H 1 3.259 0.030 . 2 . . . . 85 PHE HB3 . 10324 1 930 . 1 1 85 85 PHE HD1 H 1 7.302 0.030 . 1 . . . . 85 PHE HD1 . 10324 1 931 . 1 1 85 85 PHE HD2 H 1 7.302 0.030 . 1 . . . . 85 PHE HD2 . 10324 1 932 . 1 1 85 85 PHE HE1 H 1 7.093 0.030 . 1 . . . . 85 PHE HE1 . 10324 1 933 . 1 1 85 85 PHE HE2 H 1 7.093 0.030 . 1 . . . . 85 PHE HE2 . 10324 1 934 . 1 1 85 85 PHE HZ H 1 7.161 0.030 . 1 . . . . 85 PHE HZ . 10324 1 935 . 1 1 85 85 PHE C C 13 175.277 0.300 . 1 . . . . 85 PHE C . 10324 1 936 . 1 1 85 85 PHE CA C 13 56.724 0.300 . 1 . . . . 85 PHE CA . 10324 1 937 . 1 1 85 85 PHE CB C 13 41.161 0.300 . 1 . . . . 85 PHE CB . 10324 1 938 . 1 1 85 85 PHE CD1 C 13 132.657 0.300 . 1 . . . . 85 PHE CD1 . 10324 1 939 . 1 1 85 85 PHE CD2 C 13 132.657 0.300 . 1 . . . . 85 PHE CD2 . 10324 1 940 . 1 1 85 85 PHE CE1 C 13 130.487 0.300 . 1 . . . . 85 PHE CE1 . 10324 1 941 . 1 1 85 85 PHE CE2 C 13 130.487 0.300 . 1 . . . . 85 PHE CE2 . 10324 1 942 . 1 1 85 85 PHE CZ C 13 129.757 0.300 . 1 . . . . 85 PHE CZ . 10324 1 943 . 1 1 85 85 PHE N N 15 120.720 0.300 . 1 . . . . 85 PHE N . 10324 1 944 . 1 1 86 86 GLN H H 1 8.876 0.030 . 1 . . . . 86 GLN H . 10324 1 945 . 1 1 86 86 GLN HA H 1 5.385 0.030 . 1 . . . . 86 GLN HA . 10324 1 946 . 1 1 86 86 GLN HB2 H 1 1.968 0.030 . 2 . . . . 86 GLN HB2 . 10324 1 947 . 1 1 86 86 GLN HB3 H 1 1.897 0.030 . 2 . . . . 86 GLN HB3 . 10324 1 948 . 1 1 86 86 GLN HE21 H 1 6.747 0.030 . 2 . . . . 86 GLN HE21 . 10324 1 949 . 1 1 86 86 GLN HE22 H 1 7.309 0.030 . 2 . . . . 86 GLN HE22 . 10324 1 950 . 1 1 86 86 GLN HG2 H 1 2.312 0.030 . 2 . . . . 86 GLN HG2 . 10324 1 951 . 1 1 86 86 GLN HG3 H 1 2.234 0.030 . 2 . . . . 86 GLN HG3 . 10324 1 952 . 1 1 86 86 GLN C C 13 175.469 0.300 . 1 . . . . 86 GLN C . 10324 1 953 . 1 1 86 86 GLN CA C 13 54.981 0.300 . 1 . . . . 86 GLN CA . 10324 1 954 . 1 1 86 86 GLN CB C 13 31.857 0.300 . 1 . . . . 86 GLN CB . 10324 1 955 . 1 1 86 86 GLN CG C 13 34.546 0.300 . 1 . . . . 86 GLN CG . 10324 1 956 . 1 1 86 86 GLN N N 15 120.456 0.300 . 1 . . . . 86 GLN N . 10324 1 957 . 1 1 86 86 GLN NE2 N 15 112.141 0.300 . 1 . . . . 86 GLN NE2 . 10324 1 958 . 1 1 87 87 PHE H H 1 8.773 0.030 . 1 . . . . 87 PHE H . 10324 1 959 . 1 1 87 87 PHE HA H 1 4.903 0.030 . 1 . . . . 87 PHE HA . 10324 1 960 . 1 1 87 87 PHE HB2 H 1 2.893 0.030 . 2 . . . . 87 PHE HB2 . 10324 1 961 . 1 1 87 87 PHE HB3 H 1 3.092 0.030 . 2 . . . . 87 PHE HB3 . 10324 1 962 . 1 1 87 87 PHE HD1 H 1 6.949 0.030 . 1 . . . . 87 PHE HD1 . 10324 1 963 . 1 1 87 87 PHE HD2 H 1 6.949 0.030 . 1 . . . . 87 PHE HD2 . 10324 1 964 . 1 1 87 87 PHE HE1 H 1 6.998 0.030 . 1 . . . . 87 PHE HE1 . 10324 1 965 . 1 1 87 87 PHE HE2 H 1 6.998 0.030 . 1 . . . . 87 PHE HE2 . 10324 1 966 . 1 1 87 87 PHE HZ H 1 7.021 0.030 . 1 . . . . 87 PHE HZ . 10324 1 967 . 1 1 87 87 PHE C C 13 173.758 0.300 . 1 . . . . 87 PHE C . 10324 1 968 . 1 1 87 87 PHE CA C 13 56.959 0.300 . 1 . . . . 87 PHE CA . 10324 1 969 . 1 1 87 87 PHE CB C 13 41.980 0.300 . 1 . . . . 87 PHE CB . 10324 1 970 . 1 1 87 87 PHE CD1 C 13 131.877 0.300 . 1 . . . . 87 PHE CD1 . 10324 1 971 . 1 1 87 87 PHE CD2 C 13 131.877 0.300 . 1 . . . . 87 PHE CD2 . 10324 1 972 . 1 1 87 87 PHE CE1 C 13 130.891 0.300 . 1 . . . . 87 PHE CE1 . 10324 1 973 . 1 1 87 87 PHE CE2 C 13 130.891 0.300 . 1 . . . . 87 PHE CE2 . 10324 1 974 . 1 1 87 87 PHE CZ C 13 129.338 0.300 . 1 . . . . 87 PHE CZ . 10324 1 975 . 1 1 87 87 PHE N N 15 121.327 0.300 . 1 . . . . 87 PHE N . 10324 1 976 . 1 1 88 88 THR H H 1 8.887 0.030 . 1 . . . . 88 THR H . 10324 1 977 . 1 1 88 88 THR HA H 1 4.439 0.030 . 1 . . . . 88 THR HA . 10324 1 978 . 1 1 88 88 THR HB H 1 3.949 0.030 . 1 . . . . 88 THR HB . 10324 1 979 . 1 1 88 88 THR HG21 H 1 1.027 0.030 . 1 . . . . 88 THR HG2 . 10324 1 980 . 1 1 88 88 THR HG22 H 1 1.027 0.030 . 1 . . . . 88 THR HG2 . 10324 1 981 . 1 1 88 88 THR HG23 H 1 1.027 0.030 . 1 . . . . 88 THR HG2 . 10324 1 982 . 1 1 88 88 THR C C 13 173.063 0.300 . 1 . . . . 88 THR C . 10324 1 983 . 1 1 88 88 THR CA C 13 63.354 0.300 . 1 . . . . 88 THR CA . 10324 1 984 . 1 1 88 88 THR CB C 13 69.552 0.300 . 1 . . . . 88 THR CB . 10324 1 985 . 1 1 88 88 THR CG2 C 13 22.097 0.300 . 1 . . . . 88 THR CG2 . 10324 1 986 . 1 1 88 88 THR N N 15 121.014 0.300 . 1 . . . . 88 THR N . 10324 1 987 . 1 1 89 89 VAL H H 1 8.218 0.030 . 1 . . . . 89 VAL H . 10324 1 988 . 1 1 89 89 VAL HA H 1 4.216 0.030 . 1 . . . . 89 VAL HA . 10324 1 989 . 1 1 89 89 VAL HB H 1 2.364 0.030 . 1 . . . . 89 VAL HB . 10324 1 990 . 1 1 89 89 VAL HG11 H 1 0.858 0.030 . 1 . . . . 89 VAL HG1 . 10324 1 991 . 1 1 89 89 VAL HG12 H 1 0.858 0.030 . 1 . . . . 89 VAL HG1 . 10324 1 992 . 1 1 89 89 VAL HG13 H 1 0.858 0.030 . 1 . . . . 89 VAL HG1 . 10324 1 993 . 1 1 89 89 VAL HG21 H 1 0.585 0.030 . 1 . . . . 89 VAL HG2 . 10324 1 994 . 1 1 89 89 VAL HG22 H 1 0.585 0.030 . 1 . . . . 89 VAL HG2 . 10324 1 995 . 1 1 89 89 VAL HG23 H 1 0.585 0.030 . 1 . . . . 89 VAL HG2 . 10324 1 996 . 1 1 89 89 VAL C C 13 176.671 0.300 . 1 . . . . 89 VAL C . 10324 1 997 . 1 1 89 89 VAL CA C 13 61.674 0.300 . 1 . . . . 89 VAL CA . 10324 1 998 . 1 1 89 89 VAL CB C 13 32.891 0.300 . 1 . . . . 89 VAL CB . 10324 1 999 . 1 1 89 89 VAL CG1 C 13 21.810 0.300 . 2 . . . . 89 VAL CG1 . 10324 1 1000 . 1 1 89 89 VAL CG2 C 13 21.924 0.300 . 2 . . . . 89 VAL CG2 . 10324 1 1001 . 1 1 89 89 VAL N N 15 128.115 0.300 . 1 . . . . 89 VAL N . 10324 1 1002 . 1 1 90 90 GLY H H 1 8.922 0.030 . 1 . . . . 90 GLY H . 10324 1 1003 . 1 1 90 90 GLY HA2 H 1 4.447 0.030 . 2 . . . . 90 GLY HA2 . 10324 1 1004 . 1 1 90 90 GLY HA3 H 1 4.096 0.030 . 2 . . . . 90 GLY HA3 . 10324 1 1005 . 1 1 90 90 GLY C C 13 170.457 0.300 . 1 . . . . 90 GLY C . 10324 1 1006 . 1 1 90 90 GLY CA C 13 44.491 0.300 . 1 . . . . 90 GLY CA . 10324 1 1007 . 1 1 90 90 GLY N N 15 118.451 0.300 . 1 . . . . 90 GLY N . 10324 1 1008 . 1 1 91 91 PRO HA H 1 4.470 0.030 . 1 . . . . 91 PRO HA . 10324 1 1009 . 1 1 91 91 PRO HB2 H 1 1.939 0.030 . 2 . . . . 91 PRO HB2 . 10324 1 1010 . 1 1 91 91 PRO HB3 H 1 2.299 0.030 . 2 . . . . 91 PRO HB3 . 10324 1 1011 . 1 1 91 91 PRO HD2 H 1 3.591 0.030 . 1 . . . . 91 PRO HD2 . 10324 1 1012 . 1 1 91 91 PRO HD3 H 1 3.591 0.030 . 1 . . . . 91 PRO HD3 . 10324 1 1013 . 1 1 91 91 PRO HG2 H 1 2.020 0.030 . 2 . . . . 91 PRO HG2 . 10324 1 1014 . 1 1 91 91 PRO HG3 H 1 1.907 0.030 . 2 . . . . 91 PRO HG3 . 10324 1 1015 . 1 1 91 91 PRO C C 13 176.692 0.300 . 1 . . . . 91 PRO C . 10324 1 1016 . 1 1 91 91 PRO CA C 13 62.539 0.300 . 1 . . . . 91 PRO CA . 10324 1 1017 . 1 1 91 91 PRO CB C 13 32.611 0.300 . 1 . . . . 91 PRO CB . 10324 1 1018 . 1 1 91 91 PRO CD C 13 49.641 0.300 . 1 . . . . 91 PRO CD . 10324 1 1019 . 1 1 91 91 PRO CG C 13 26.788 0.300 . 1 . . . . 91 PRO CG . 10324 1 1020 . 1 1 92 92 LEU H H 1 8.340 0.030 . 1 . . . . 92 LEU H . 10324 1 1021 . 1 1 92 92 LEU HA H 1 4.165 0.030 . 1 . . . . 92 LEU HA . 10324 1 1022 . 1 1 92 92 LEU HB2 H 1 1.538 0.030 . 1 . . . . 92 LEU HB2 . 10324 1 1023 . 1 1 92 92 LEU HB3 H 1 1.538 0.030 . 1 . . . . 92 LEU HB3 . 10324 1 1024 . 1 1 92 92 LEU HD11 H 1 0.861 0.030 . 1 . . . . 92 LEU HD1 . 10324 1 1025 . 1 1 92 92 LEU HD12 H 1 0.861 0.030 . 1 . . . . 92 LEU HD1 . 10324 1 1026 . 1 1 92 92 LEU HD13 H 1 0.861 0.030 . 1 . . . . 92 LEU HD1 . 10324 1 1027 . 1 1 92 92 LEU HD21 H 1 0.827 0.030 . 1 . . . . 92 LEU HD2 . 10324 1 1028 . 1 1 92 92 LEU HD22 H 1 0.827 0.030 . 1 . . . . 92 LEU HD2 . 10324 1 1029 . 1 1 92 92 LEU HD23 H 1 0.827 0.030 . 1 . . . . 92 LEU HD2 . 10324 1 1030 . 1 1 92 92 LEU HG H 1 1.575 0.030 . 1 . . . . 92 LEU HG . 10324 1 1031 . 1 1 92 92 LEU C C 13 178.007 0.300 . 1 . . . . 92 LEU C . 10324 1 1032 . 1 1 92 92 LEU CA C 13 55.789 0.300 . 1 . . . . 92 LEU CA . 10324 1 1033 . 1 1 92 92 LEU CB C 13 42.607 0.300 . 1 . . . . 92 LEU CB . 10324 1 1034 . 1 1 92 92 LEU CD1 C 13 24.618 0.300 . 2 . . . . 92 LEU CD1 . 10324 1 1035 . 1 1 92 92 LEU CD2 C 13 24.392 0.300 . 2 . . . . 92 LEU CD2 . 10324 1 1036 . 1 1 92 92 LEU CG C 13 26.962 0.300 . 1 . . . . 92 LEU CG . 10324 1 1037 . 1 1 92 92 LEU N N 15 121.254 0.300 . 1 . . . . 92 LEU N . 10324 1 1038 . 1 1 93 93 GLY H H 1 8.460 0.030 . 1 . . . . 93 GLY H . 10324 1 1039 . 1 1 93 93 GLY HA2 H 1 3.925 0.030 . 2 . . . . 93 GLY HA2 . 10324 1 1040 . 1 1 93 93 GLY HA3 H 1 3.880 0.030 . 2 . . . . 93 GLY HA3 . 10324 1 1041 . 1 1 93 93 GLY C C 13 174.146 0.300 . 1 . . . . 93 GLY C . 10324 1 1042 . 1 1 93 93 GLY CA C 13 45.209 0.300 . 1 . . . . 93 GLY CA . 10324 1 1043 . 1 1 93 93 GLY N N 15 110.873 0.300 . 1 . . . . 93 GLY N . 10324 1 1044 . 1 1 94 94 GLU H H 1 8.285 0.030 . 1 . . . . 94 GLU H . 10324 1 1045 . 1 1 94 94 GLU HA H 1 4.265 0.030 . 1 . . . . 94 GLU HA . 10324 1 1046 . 1 1 94 94 GLU HB2 H 1 2.038 0.030 . 2 . . . . 94 GLU HB2 . 10324 1 1047 . 1 1 94 94 GLU HB3 H 1 1.889 0.030 . 2 . . . . 94 GLU HB3 . 10324 1 1048 . 1 1 94 94 GLU HG2 H 1 2.201 0.030 . 1 . . . . 94 GLU HG2 . 10324 1 1049 . 1 1 94 94 GLU HG3 H 1 2.201 0.030 . 1 . . . . 94 GLU HG3 . 10324 1 1050 . 1 1 94 94 GLU C C 13 177.207 0.300 . 1 . . . . 94 GLU C . 10324 1 1051 . 1 1 94 94 GLU CA C 13 56.610 0.300 . 1 . . . . 94 GLU CA . 10324 1 1052 . 1 1 94 94 GLU CB C 13 30.320 0.300 . 1 . . . . 94 GLU CB . 10324 1 1053 . 1 1 94 94 GLU CG C 13 36.190 0.300 . 1 . . . . 94 GLU CG . 10324 1 1054 . 1 1 94 94 GLU N N 15 120.863 0.300 . 1 . . . . 94 GLU N . 10324 1 1055 . 1 1 95 95 GLY H H 1 8.566 0.030 . 1 . . . . 95 GLY H . 10324 1 1056 . 1 1 95 95 GLY HA2 H 1 3.976 0.030 . 1 . . . . 95 GLY HA2 . 10324 1 1057 . 1 1 95 95 GLY HA3 H 1 3.976 0.030 . 1 . . . . 95 GLY HA3 . 10324 1 1058 . 1 1 95 95 GLY C C 13 174.845 0.300 . 1 . . . . 95 GLY C . 10324 1 1059 . 1 1 95 95 GLY CA C 13 45.359 0.300 . 1 . . . . 95 GLY CA . 10324 1 1060 . 1 1 95 95 GLY N N 15 110.342 0.300 . 1 . . . . 95 GLY N . 10324 1 1061 . 1 1 96 96 GLY H H 1 8.278 0.030 . 1 . . . . 96 GLY H . 10324 1 1062 . 1 1 96 96 GLY HA2 H 1 3.952 0.030 . 1 . . . . 96 GLY HA2 . 10324 1 1063 . 1 1 96 96 GLY HA3 H 1 3.952 0.030 . 1 . . . . 96 GLY HA3 . 10324 1 1064 . 1 1 96 96 GLY C C 13 174.276 0.300 . 1 . . . . 96 GLY C . 10324 1 1065 . 1 1 96 96 GLY CA C 13 45.339 0.300 . 1 . . . . 96 GLY CA . 10324 1 1066 . 1 1 96 96 GLY N N 15 108.824 0.300 . 1 . . . . 96 GLY N . 10324 1 1067 . 1 1 99 99 PRO HA H 1 4.435 0.030 . 1 . . . . 99 PRO HA . 10324 1 1068 . 1 1 99 99 PRO HB2 H 1 1.932 0.030 . 2 . . . . 99 PRO HB2 . 10324 1 1069 . 1 1 99 99 PRO HB3 H 1 2.244 0.030 . 2 . . . . 99 PRO HB3 . 10324 1 1070 . 1 1 99 99 PRO HD2 H 1 3.584 0.030 . 1 . . . . 99 PRO HD2 . 10324 1 1071 . 1 1 99 99 PRO HD3 H 1 3.584 0.030 . 1 . . . . 99 PRO HD3 . 10324 1 1072 . 1 1 99 99 PRO HG2 H 1 1.971 0.030 . 1 . . . . 99 PRO HG2 . 10324 1 1073 . 1 1 99 99 PRO HG3 H 1 1.971 0.030 . 1 . . . . 99 PRO HG3 . 10324 1 1074 . 1 1 99 99 PRO C C 13 177.379 0.300 . 1 . . . . 99 PRO C . 10324 1 1075 . 1 1 99 99 PRO CA C 13 63.209 0.300 . 1 . . . . 99 PRO CA . 10324 1 1076 . 1 1 99 99 PRO CB C 13 32.155 0.300 . 1 . . . . 99 PRO CB . 10324 1 1077 . 1 1 99 99 PRO CD C 13 49.769 0.300 . 1 . . . . 99 PRO CD . 10324 1 1078 . 1 1 99 99 PRO CG C 13 27.135 0.300 . 1 . . . . 99 PRO CG . 10324 1 1079 . 1 1 100 100 SER H H 1 8.520 0.030 . 1 . . . . 100 SER H . 10324 1 1080 . 1 1 100 100 SER HA H 1 4.524 0.030 . 1 . . . . 100 SER HA . 10324 1 1081 . 1 1 100 100 SER HB2 H 1 3.869 0.030 . 2 . . . . 100 SER HB2 . 10324 1 1082 . 1 1 100 100 SER C C 13 174.678 0.300 . 1 . . . . 100 SER C . 10324 1 1083 . 1 1 100 100 SER CA C 13 58.231 0.300 . 1 . . . . 100 SER CA . 10324 1 1084 . 1 1 100 100 SER CB C 13 63.927 0.300 . 1 . . . . 100 SER CB . 10324 1 1085 . 1 1 100 100 SER N N 15 116.493 0.300 . 1 . . . . 100 SER N . 10324 1 1086 . 1 1 101 101 SER HA H 1 4.472 0.030 . 1 . . . . 101 SER HA . 10324 1 1087 . 1 1 101 101 SER HB2 H 1 3.870 0.030 . 1 . . . . 101 SER HB2 . 10324 1 1088 . 1 1 101 101 SER HB3 H 1 3.870 0.030 . 1 . . . . 101 SER HB3 . 10324 1 1089 . 1 1 101 101 SER C C 13 173.938 0.300 . 1 . . . . 101 SER C . 10324 1 1090 . 1 1 101 101 SER CA C 13 58.367 0.300 . 1 . . . . 101 SER CA . 10324 1 1091 . 1 1 101 101 SER CB C 13 63.969 0.300 . 1 . . . . 101 SER CB . 10324 1 1092 . 1 1 102 102 GLY H H 1 8.036 0.030 . 1 . . . . 102 GLY H . 10324 1 1093 . 1 1 102 102 GLY HA2 H 1 3.751 0.030 . 2 . . . . 102 GLY HA2 . 10324 1 1094 . 1 1 102 102 GLY HA3 H 1 3.707 0.030 . 2 . . . . 102 GLY HA3 . 10324 1 1095 . 1 1 102 102 GLY C C 13 178.993 0.300 . 1 . . . . 102 GLY C . 10324 1 1096 . 1 1 102 102 GLY CA C 13 46.202 0.300 . 1 . . . . 102 GLY CA . 10324 1 1097 . 1 1 102 102 GLY N N 15 116.864 0.300 . 1 . . . . 102 GLY N . 10324 1 stop_ save_