data_11223 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11223 _Entry.Title ; Solution structure of the Ig-like domain of human Leucine-rich repeat-containing protein 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 X. Qin . . . 11223 2 T. Nagashima . . . 11223 3 F. Hayashi . . . 11223 4 S. Yokoyama . . . 11223 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11223 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11223 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 11223 '15N chemical shifts' 96 11223 '1H chemical shifts' 654 11223 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-03 2010-07-23 original author . 11223 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DL9 'BMRB Entry Tracking System' 11223 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11223 _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 Ig-like domain of human Leucine-rich repeat-containing protein 4 ; _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 X. Qin . . . 11223 1 2 T. Nagashima . . . 11223 1 3 F. Hayashi . . . 11223 1 4 S. Yokoyama . . . 11223 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11223 _Assembly.ID 1 _Assembly.Name 'Leucine-rich repeat-containing protein 4' _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 'IG-like domain' 1 $entity_1 A . yes native no no . . . 11223 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2dl9 . . . . . . 11223 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11223 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'IG-like domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPFIMDAPRDLNIS EGRMAELKCRTPPMSSVKWL LPNGTVLSHASRHPRISVLN DGTLNFSHVLLSDTGVYTCM VTNVAGNSNASAYLNVSSGP SSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2DL9 . "Solution Structure Of The Ig-Like Domain Of Human Leucine- Rich Repeat-Containing Protein 4" . . . . . 100.00 103 100.00 100.00 7.56e-67 . . . . 11223 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'IG-like domain' . 11223 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 . 11223 1 2 . SER . 11223 1 3 . SER . 11223 1 4 . GLY . 11223 1 5 . SER . 11223 1 6 . SER . 11223 1 7 . GLY . 11223 1 8 . PRO . 11223 1 9 . PHE . 11223 1 10 . ILE . 11223 1 11 . MET . 11223 1 12 . ASP . 11223 1 13 . ALA . 11223 1 14 . PRO . 11223 1 15 . ARG . 11223 1 16 . ASP . 11223 1 17 . LEU . 11223 1 18 . ASN . 11223 1 19 . ILE . 11223 1 20 . SER . 11223 1 21 . GLU . 11223 1 22 . GLY . 11223 1 23 . ARG . 11223 1 24 . MET . 11223 1 25 . ALA . 11223 1 26 . GLU . 11223 1 27 . LEU . 11223 1 28 . LYS . 11223 1 29 . CYS . 11223 1 30 . ARG . 11223 1 31 . THR . 11223 1 32 . PRO . 11223 1 33 . PRO . 11223 1 34 . MET . 11223 1 35 . SER . 11223 1 36 . SER . 11223 1 37 . VAL . 11223 1 38 . LYS . 11223 1 39 . TRP . 11223 1 40 . LEU . 11223 1 41 . LEU . 11223 1 42 . PRO . 11223 1 43 . ASN . 11223 1 44 . GLY . 11223 1 45 . THR . 11223 1 46 . VAL . 11223 1 47 . LEU . 11223 1 48 . SER . 11223 1 49 . HIS . 11223 1 50 . ALA . 11223 1 51 . SER . 11223 1 52 . ARG . 11223 1 53 . HIS . 11223 1 54 . PRO . 11223 1 55 . ARG . 11223 1 56 . ILE . 11223 1 57 . SER . 11223 1 58 . VAL . 11223 1 59 . LEU . 11223 1 60 . ASN . 11223 1 61 . ASP . 11223 1 62 . GLY . 11223 1 63 . THR . 11223 1 64 . LEU . 11223 1 65 . ASN . 11223 1 66 . PHE . 11223 1 67 . SER . 11223 1 68 . HIS . 11223 1 69 . VAL . 11223 1 70 . LEU . 11223 1 71 . LEU . 11223 1 72 . SER . 11223 1 73 . ASP . 11223 1 74 . THR . 11223 1 75 . GLY . 11223 1 76 . VAL . 11223 1 77 . TYR . 11223 1 78 . THR . 11223 1 79 . CYS . 11223 1 80 . MET . 11223 1 81 . VAL . 11223 1 82 . THR . 11223 1 83 . ASN . 11223 1 84 . VAL . 11223 1 85 . ALA . 11223 1 86 . GLY . 11223 1 87 . ASN . 11223 1 88 . SER . 11223 1 89 . ASN . 11223 1 90 . ALA . 11223 1 91 . SER . 11223 1 92 . ALA . 11223 1 93 . TYR . 11223 1 94 . LEU . 11223 1 95 . ASN . 11223 1 96 . VAL . 11223 1 97 . SER . 11223 1 98 . SER . 11223 1 99 . GLY . 11223 1 100 . PRO . 11223 1 101 . SER . 11223 1 102 . SER . 11223 1 103 . GLY . 11223 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 11223 1 . SER 2 2 11223 1 . SER 3 3 11223 1 . GLY 4 4 11223 1 . SER 5 5 11223 1 . SER 6 6 11223 1 . GLY 7 7 11223 1 . PRO 8 8 11223 1 . PHE 9 9 11223 1 . ILE 10 10 11223 1 . MET 11 11 11223 1 . ASP 12 12 11223 1 . ALA 13 13 11223 1 . PRO 14 14 11223 1 . ARG 15 15 11223 1 . ASP 16 16 11223 1 . LEU 17 17 11223 1 . ASN 18 18 11223 1 . ILE 19 19 11223 1 . SER 20 20 11223 1 . GLU 21 21 11223 1 . GLY 22 22 11223 1 . ARG 23 23 11223 1 . MET 24 24 11223 1 . ALA 25 25 11223 1 . GLU 26 26 11223 1 . LEU 27 27 11223 1 . LYS 28 28 11223 1 . CYS 29 29 11223 1 . ARG 30 30 11223 1 . THR 31 31 11223 1 . PRO 32 32 11223 1 . PRO 33 33 11223 1 . MET 34 34 11223 1 . SER 35 35 11223 1 . SER 36 36 11223 1 . VAL 37 37 11223 1 . LYS 38 38 11223 1 . TRP 39 39 11223 1 . LEU 40 40 11223 1 . LEU 41 41 11223 1 . PRO 42 42 11223 1 . ASN 43 43 11223 1 . GLY 44 44 11223 1 . THR 45 45 11223 1 . VAL 46 46 11223 1 . LEU 47 47 11223 1 . SER 48 48 11223 1 . HIS 49 49 11223 1 . ALA 50 50 11223 1 . SER 51 51 11223 1 . ARG 52 52 11223 1 . HIS 53 53 11223 1 . PRO 54 54 11223 1 . ARG 55 55 11223 1 . ILE 56 56 11223 1 . SER 57 57 11223 1 . VAL 58 58 11223 1 . LEU 59 59 11223 1 . ASN 60 60 11223 1 . ASP 61 61 11223 1 . GLY 62 62 11223 1 . THR 63 63 11223 1 . LEU 64 64 11223 1 . ASN 65 65 11223 1 . PHE 66 66 11223 1 . SER 67 67 11223 1 . HIS 68 68 11223 1 . VAL 69 69 11223 1 . LEU 70 70 11223 1 . LEU 71 71 11223 1 . SER 72 72 11223 1 . ASP 73 73 11223 1 . THR 74 74 11223 1 . GLY 75 75 11223 1 . VAL 76 76 11223 1 . TYR 77 77 11223 1 . THR 78 78 11223 1 . CYS 79 79 11223 1 . MET 80 80 11223 1 . VAL 81 81 11223 1 . THR 82 82 11223 1 . ASN 83 83 11223 1 . VAL 84 84 11223 1 . ALA 85 85 11223 1 . GLY 86 86 11223 1 . ASN 87 87 11223 1 . SER 88 88 11223 1 . ASN 89 89 11223 1 . ALA 90 90 11223 1 . SER 91 91 11223 1 . ALA 92 92 11223 1 . TYR 93 93 11223 1 . LEU 94 94 11223 1 . ASN 95 95 11223 1 . VAL 96 96 11223 1 . SER 97 97 11223 1 . SER 98 98 11223 1 . GLY 99 99 11223 1 . PRO 100 100 11223 1 . SER 101 101 11223 1 . SER 102 102 11223 1 . GLY 103 103 11223 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 11223 _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 . . . . . . . . . . . . . . . . . . . . . 11223 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 11223 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050719-19 . . . . . . 11223 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11223 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.26mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3, 90% {H2O;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'IG-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.26 . . mM . . . . 11223 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11223 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11223 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11223 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11223 1 6 H2O . . . . . . solvent 90 . . % . . . . 11223 1 7 D2O . . . . . . solvent 10 . . % . . . . 11223 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 11223 _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 11223 1 pH 7.0 0.05 pH 11223 1 pressure 1 0.001 atm 11223 1 temperature 298 0.1 K 11223 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11223 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11223 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11223 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11223 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11223 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11223 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11223 _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.' . . 11223 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11223 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11223 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11223 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11223 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11223 _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.' . . 11223 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11223 5 'structure solution' 11223 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 11223 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11223 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 11223 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 11223 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11223 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11223 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 11223 _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 . . . . . . . . . 11223 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11223 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11223 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 11223 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11223 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11223 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11223 1 2 $NMRPipe . . 11223 1 3 $NMRView . . 11223 1 4 $Kujira . . 11223 1 5 $CYANA . . 11223 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.595 0.030 . 1 . . . . 6 SER HA . 11223 1 2 . 1 1 6 6 SER HB2 H 1 3.917 0.030 . 1 . . . . 6 SER HB2 . 11223 1 3 . 1 1 6 6 SER HB3 H 1 3.917 0.030 . 1 . . . . 6 SER HB3 . 11223 1 4 . 1 1 6 6 SER C C 13 174.401 0.300 . 1 . . . . 6 SER C . 11223 1 5 . 1 1 6 6 SER CA C 13 58.355 0.300 . 1 . . . . 6 SER CA . 11223 1 6 . 1 1 6 6 SER CB C 13 63.911 0.300 . 1 . . . . 6 SER CB . 11223 1 7 . 1 1 7 7 GLY H H 1 8.176 0.030 . 1 . . . . 7 GLY H . 11223 1 8 . 1 1 7 7 GLY HA2 H 1 4.053 0.030 . 1 . . . . 7 GLY HA2 . 11223 1 9 . 1 1 7 7 GLY HA3 H 1 4.053 0.030 . 1 . . . . 7 GLY HA3 . 11223 1 10 . 1 1 7 7 GLY C C 13 171.873 0.300 . 1 . . . . 7 GLY C . 11223 1 11 . 1 1 7 7 GLY CA C 13 44.768 0.300 . 1 . . . . 7 GLY CA . 11223 1 12 . 1 1 7 7 GLY N N 15 110.195 0.300 . 1 . . . . 7 GLY N . 11223 1 13 . 1 1 8 8 PRO HA H 1 4.264 0.030 . 1 . . . . 8 PRO HA . 11223 1 14 . 1 1 8 8 PRO HB2 H 1 1.993 0.030 . 2 . . . . 8 PRO HB2 . 11223 1 15 . 1 1 8 8 PRO HB3 H 1 1.442 0.030 . 2 . . . . 8 PRO HB3 . 11223 1 16 . 1 1 8 8 PRO HD2 H 1 3.424 0.030 . 1 . . . . 8 PRO HD2 . 11223 1 17 . 1 1 8 8 PRO HD3 H 1 3.424 0.030 . 1 . . . . 8 PRO HD3 . 11223 1 18 . 1 1 8 8 PRO HG2 H 1 1.799 0.030 . 2 . . . . 8 PRO HG2 . 11223 1 19 . 1 1 8 8 PRO HG3 H 1 1.537 0.030 . 2 . . . . 8 PRO HG3 . 11223 1 20 . 1 1 8 8 PRO C C 13 176.468 0.300 . 1 . . . . 8 PRO C . 11223 1 21 . 1 1 8 8 PRO CA C 13 63.062 0.300 . 1 . . . . 8 PRO CA . 11223 1 22 . 1 1 8 8 PRO CB C 13 31.774 0.300 . 1 . . . . 8 PRO CB . 11223 1 23 . 1 1 8 8 PRO CD C 13 49.455 0.300 . 1 . . . . 8 PRO CD . 11223 1 24 . 1 1 8 8 PRO CG C 13 26.815 0.300 . 1 . . . . 8 PRO CG . 11223 1 25 . 1 1 9 9 PHE H H 1 7.926 0.030 . 1 . . . . 9 PHE H . 11223 1 26 . 1 1 9 9 PHE HA H 1 4.444 0.030 . 1 . . . . 9 PHE HA . 11223 1 27 . 1 1 9 9 PHE HB2 H 1 2.776 0.030 . 2 . . . . 9 PHE HB2 . 11223 1 28 . 1 1 9 9 PHE HB3 H 1 3.056 0.030 . 2 . . . . 9 PHE HB3 . 11223 1 29 . 1 1 9 9 PHE HD1 H 1 7.013 0.030 . 1 . . . . 9 PHE HD1 . 11223 1 30 . 1 1 9 9 PHE HD2 H 1 7.013 0.030 . 1 . . . . 9 PHE HD2 . 11223 1 31 . 1 1 9 9 PHE HE1 H 1 7.186 0.030 . 1 . . . . 9 PHE HE1 . 11223 1 32 . 1 1 9 9 PHE HE2 H 1 7.186 0.030 . 1 . . . . 9 PHE HE2 . 11223 1 33 . 1 1 9 9 PHE HZ H 1 7.085 0.030 . 1 . . . . 9 PHE HZ . 11223 1 34 . 1 1 9 9 PHE C C 13 173.805 0.300 . 1 . . . . 9 PHE C . 11223 1 35 . 1 1 9 9 PHE CA C 13 57.637 0.300 . 1 . . . . 9 PHE CA . 11223 1 36 . 1 1 9 9 PHE CB C 13 39.328 0.300 . 1 . . . . 9 PHE CB . 11223 1 37 . 1 1 9 9 PHE CD1 C 13 131.147 0.300 . 1 . . . . 9 PHE CD1 . 11223 1 38 . 1 1 9 9 PHE CD2 C 13 131.147 0.300 . 1 . . . . 9 PHE CD2 . 11223 1 39 . 1 1 9 9 PHE CE1 C 13 131.183 0.300 . 1 . . . . 9 PHE CE1 . 11223 1 40 . 1 1 9 9 PHE CE2 C 13 131.183 0.300 . 1 . . . . 9 PHE CE2 . 11223 1 41 . 1 1 9 9 PHE CZ C 13 129.502 0.300 . 1 . . . . 9 PHE CZ . 11223 1 42 . 1 1 9 9 PHE N N 15 118.239 0.300 . 1 . . . . 9 PHE N . 11223 1 43 . 1 1 10 10 ILE H H 1 7.556 0.030 . 1 . . . . 10 ILE H . 11223 1 44 . 1 1 10 10 ILE HA H 1 4.043 0.030 . 1 . . . . 10 ILE HA . 11223 1 45 . 1 1 10 10 ILE HB H 1 1.633 0.030 . 1 . . . . 10 ILE HB . 11223 1 46 . 1 1 10 10 ILE HD11 H 1 0.637 0.030 . 1 . . . . 10 ILE HD1 . 11223 1 47 . 1 1 10 10 ILE HD12 H 1 0.637 0.030 . 1 . . . . 10 ILE HD1 . 11223 1 48 . 1 1 10 10 ILE HD13 H 1 0.637 0.030 . 1 . . . . 10 ILE HD1 . 11223 1 49 . 1 1 10 10 ILE HG12 H 1 1.361 0.030 . 2 . . . . 10 ILE HG12 . 11223 1 50 . 1 1 10 10 ILE HG13 H 1 0.797 0.030 . 2 . . . . 10 ILE HG13 . 11223 1 51 . 1 1 10 10 ILE HG21 H 1 0.680 0.030 . 1 . . . . 10 ILE HG2 . 11223 1 52 . 1 1 10 10 ILE HG22 H 1 0.680 0.030 . 1 . . . . 10 ILE HG2 . 11223 1 53 . 1 1 10 10 ILE HG23 H 1 0.680 0.030 . 1 . . . . 10 ILE HG2 . 11223 1 54 . 1 1 10 10 ILE C C 13 175.378 0.300 . 1 . . . . 10 ILE C . 11223 1 55 . 1 1 10 10 ILE CA C 13 61.315 0.300 . 1 . . . . 10 ILE CA . 11223 1 56 . 1 1 10 10 ILE CB C 13 39.164 0.300 . 1 . . . . 10 ILE CB . 11223 1 57 . 1 1 10 10 ILE CD1 C 13 13.514 0.300 . 1 . . . . 10 ILE CD1 . 11223 1 58 . 1 1 10 10 ILE CG1 C 13 28.170 0.300 . 1 . . . . 10 ILE CG1 . 11223 1 59 . 1 1 10 10 ILE CG2 C 13 17.366 0.300 . 1 . . . . 10 ILE CG2 . 11223 1 60 . 1 1 10 10 ILE N N 15 119.077 0.300 . 1 . . . . 10 ILE N . 11223 1 61 . 1 1 11 11 MET H H 1 8.531 0.030 . 1 . . . . 11 MET H . 11223 1 62 . 1 1 11 11 MET HA H 1 4.227 0.030 . 1 . . . . 11 MET HA . 11223 1 63 . 1 1 11 11 MET HB2 H 1 2.054 0.030 . 2 . . . . 11 MET HB2 . 11223 1 64 . 1 1 11 11 MET HB3 H 1 1.563 0.030 . 2 . . . . 11 MET HB3 . 11223 1 65 . 1 1 11 11 MET HE1 H 1 1.972 0.030 . 1 . . . . 11 MET HE . 11223 1 66 . 1 1 11 11 MET HE2 H 1 1.972 0.030 . 1 . . . . 11 MET HE . 11223 1 67 . 1 1 11 11 MET HE3 H 1 1.972 0.030 . 1 . . . . 11 MET HE . 11223 1 68 . 1 1 11 11 MET HG2 H 1 2.307 0.030 . 2 . . . . 11 MET HG2 . 11223 1 69 . 1 1 11 11 MET HG3 H 1 2.391 0.030 . 2 . . . . 11 MET HG3 . 11223 1 70 . 1 1 11 11 MET C C 13 175.755 0.300 . 1 . . . . 11 MET C . 11223 1 71 . 1 1 11 11 MET CA C 13 56.976 0.300 . 1 . . . . 11 MET CA . 11223 1 72 . 1 1 11 11 MET CB C 13 33.924 0.300 . 1 . . . . 11 MET CB . 11223 1 73 . 1 1 11 11 MET CE C 13 17.029 0.300 . 1 . . . . 11 MET CE . 11223 1 74 . 1 1 11 11 MET CG C 13 31.900 0.300 . 1 . . . . 11 MET CG . 11223 1 75 . 1 1 11 11 MET N N 15 125.431 0.300 . 1 . . . . 11 MET N . 11223 1 76 . 1 1 12 12 ASP H H 1 7.254 0.030 . 1 . . . . 12 ASP H . 11223 1 77 . 1 1 12 12 ASP HA H 1 4.823 0.030 . 1 . . . . 12 ASP HA . 11223 1 78 . 1 1 12 12 ASP HB2 H 1 2.608 0.030 . 2 . . . . 12 ASP HB2 . 11223 1 79 . 1 1 12 12 ASP HB3 H 1 2.435 0.030 . 2 . . . . 12 ASP HB3 . 11223 1 80 . 1 1 12 12 ASP C C 13 173.515 0.300 . 1 . . . . 12 ASP C . 11223 1 81 . 1 1 12 12 ASP CA C 13 54.187 0.300 . 1 . . . . 12 ASP CA . 11223 1 82 . 1 1 12 12 ASP CB C 13 42.655 0.300 . 1 . . . . 12 ASP CB . 11223 1 83 . 1 1 12 12 ASP N N 15 118.204 0.300 . 1 . . . . 12 ASP N . 11223 1 84 . 1 1 13 13 ALA H H 1 8.310 0.030 . 1 . . . . 13 ALA H . 11223 1 85 . 1 1 13 13 ALA HA H 1 4.316 0.030 . 1 . . . . 13 ALA HA . 11223 1 86 . 1 1 13 13 ALA HB1 H 1 1.374 0.030 . 1 . . . . 13 ALA HB . 11223 1 87 . 1 1 13 13 ALA HB2 H 1 1.374 0.030 . 1 . . . . 13 ALA HB . 11223 1 88 . 1 1 13 13 ALA HB3 H 1 1.374 0.030 . 1 . . . . 13 ALA HB . 11223 1 89 . 1 1 13 13 ALA C C 13 174.512 0.300 . 1 . . . . 13 ALA C . 11223 1 90 . 1 1 13 13 ALA CA C 13 50.035 0.300 . 1 . . . . 13 ALA CA . 11223 1 91 . 1 1 13 13 ALA CB C 13 18.431 0.300 . 1 . . . . 13 ALA CB . 11223 1 92 . 1 1 13 13 ALA N N 15 126.990 0.300 . 1 . . . . 13 ALA N . 11223 1 93 . 1 1 14 14 PRO HA H 1 4.784 0.030 . 1 . . . . 14 PRO HA . 11223 1 94 . 1 1 14 14 PRO HB2 H 1 2.860 0.030 . 2 . . . . 14 PRO HB2 . 11223 1 95 . 1 1 14 14 PRO HB3 H 1 1.922 0.030 . 2 . . . . 14 PRO HB3 . 11223 1 96 . 1 1 14 14 PRO HD2 H 1 3.633 0.030 . 2 . . . . 14 PRO HD2 . 11223 1 97 . 1 1 14 14 PRO HD3 H 1 3.981 0.030 . 2 . . . . 14 PRO HD3 . 11223 1 98 . 1 1 14 14 PRO HG2 H 1 2.196 0.030 . 2 . . . . 14 PRO HG2 . 11223 1 99 . 1 1 14 14 PRO HG3 H 1 1.914 0.030 . 2 . . . . 14 PRO HG3 . 11223 1 100 . 1 1 14 14 PRO C C 13 175.951 0.300 . 1 . . . . 14 PRO C . 11223 1 101 . 1 1 14 14 PRO CA C 13 63.213 0.300 . 1 . . . . 14 PRO CA . 11223 1 102 . 1 1 14 14 PRO CB C 13 32.143 0.300 . 1 . . . . 14 PRO CB . 11223 1 103 . 1 1 14 14 PRO CD C 13 49.800 0.300 . 1 . . . . 14 PRO CD . 11223 1 104 . 1 1 14 14 PRO CG C 13 26.976 0.300 . 1 . . . . 14 PRO CG . 11223 1 105 . 1 1 15 15 ARG H H 1 8.058 0.030 . 1 . . . . 15 ARG H . 11223 1 106 . 1 1 15 15 ARG HA H 1 4.736 0.030 . 1 . . . . 15 ARG HA . 11223 1 107 . 1 1 15 15 ARG HB2 H 1 1.772 0.030 . 2 . . . . 15 ARG HB2 . 11223 1 108 . 1 1 15 15 ARG HB3 H 1 1.961 0.030 . 2 . . . . 15 ARG HB3 . 11223 1 109 . 1 1 15 15 ARG HD2 H 1 3.280 0.030 . 1 . . . . 15 ARG HD2 . 11223 1 110 . 1 1 15 15 ARG HD3 H 1 3.280 0.030 . 1 . . . . 15 ARG HD3 . 11223 1 111 . 1 1 15 15 ARG HG2 H 1 1.787 0.030 . 1 . . . . 15 ARG HG2 . 11223 1 112 . 1 1 15 15 ARG HG3 H 1 1.787 0.030 . 1 . . . . 15 ARG HG3 . 11223 1 113 . 1 1 15 15 ARG C C 13 175.002 0.300 . 1 . . . . 15 ARG C . 11223 1 114 . 1 1 15 15 ARG CA C 13 53.957 0.300 . 1 . . . . 15 ARG CA . 11223 1 115 . 1 1 15 15 ARG CB C 13 32.898 0.300 . 1 . . . . 15 ARG CB . 11223 1 116 . 1 1 15 15 ARG CD C 13 43.465 0.300 . 1 . . . . 15 ARG CD . 11223 1 117 . 1 1 15 15 ARG CG C 13 27.178 0.300 . 1 . . . . 15 ARG CG . 11223 1 118 . 1 1 15 15 ARG N N 15 121.104 0.300 . 1 . . . . 15 ARG N . 11223 1 119 . 1 1 16 16 ASP H H 1 8.178 0.030 . 1 . . . . 16 ASP H . 11223 1 120 . 1 1 16 16 ASP HA H 1 4.742 0.030 . 1 . . . . 16 ASP HA . 11223 1 121 . 1 1 16 16 ASP HB2 H 1 3.014 0.030 . 2 . . . . 16 ASP HB2 . 11223 1 122 . 1 1 16 16 ASP HB3 H 1 2.576 0.030 . 2 . . . . 16 ASP HB3 . 11223 1 123 . 1 1 16 16 ASP C C 13 175.820 0.300 . 1 . . . . 16 ASP C . 11223 1 124 . 1 1 16 16 ASP CA C 13 55.423 0.300 . 1 . . . . 16 ASP CA . 11223 1 125 . 1 1 16 16 ASP CB C 13 41.120 0.300 . 1 . . . . 16 ASP CB . 11223 1 126 . 1 1 16 16 ASP N N 15 120.807 0.300 . 1 . . . . 16 ASP N . 11223 1 127 . 1 1 17 17 LEU H H 1 8.375 0.030 . 1 . . . . 17 LEU H . 11223 1 128 . 1 1 17 17 LEU HA H 1 4.747 0.030 . 1 . . . . 17 LEU HA . 11223 1 129 . 1 1 17 17 LEU HB2 H 1 1.493 0.030 . 2 . . . . 17 LEU HB2 . 11223 1 130 . 1 1 17 17 LEU HB3 H 1 1.441 0.030 . 2 . . . . 17 LEU HB3 . 11223 1 131 . 1 1 17 17 LEU HD11 H 1 0.779 0.030 . 1 . . . . 17 LEU HD1 . 11223 1 132 . 1 1 17 17 LEU HD12 H 1 0.779 0.030 . 1 . . . . 17 LEU HD1 . 11223 1 133 . 1 1 17 17 LEU HD13 H 1 0.779 0.030 . 1 . . . . 17 LEU HD1 . 11223 1 134 . 1 1 17 17 LEU HD21 H 1 0.946 0.030 . 1 . . . . 17 LEU HD2 . 11223 1 135 . 1 1 17 17 LEU HD22 H 1 0.946 0.030 . 1 . . . . 17 LEU HD2 . 11223 1 136 . 1 1 17 17 LEU HD23 H 1 0.946 0.030 . 1 . . . . 17 LEU HD2 . 11223 1 137 . 1 1 17 17 LEU HG H 1 1.289 0.030 . 1 . . . . 17 LEU HG . 11223 1 138 . 1 1 17 17 LEU C C 13 173.984 0.300 . 1 . . . . 17 LEU C . 11223 1 139 . 1 1 17 17 LEU CA C 13 54.159 0.300 . 1 . . . . 17 LEU CA . 11223 1 140 . 1 1 17 17 LEU CB C 13 46.464 0.300 . 1 . . . . 17 LEU CB . 11223 1 141 . 1 1 17 17 LEU CD1 C 13 25.619 0.300 . 2 . . . . 17 LEU CD1 . 11223 1 142 . 1 1 17 17 LEU CD2 C 13 23.875 0.300 . 2 . . . . 17 LEU CD2 . 11223 1 143 . 1 1 17 17 LEU CG C 13 27.124 0.300 . 1 . . . . 17 LEU CG . 11223 1 144 . 1 1 17 17 LEU N N 15 122.542 0.300 . 1 . . . . 17 LEU N . 11223 1 145 . 1 1 18 18 ASN H H 1 8.557 0.030 . 1 . . . . 18 ASN H . 11223 1 146 . 1 1 18 18 ASN HA H 1 5.670 0.030 . 1 . . . . 18 ASN HA . 11223 1 147 . 1 1 18 18 ASN HB2 H 1 2.762 0.030 . 1 . . . . 18 ASN HB2 . 11223 1 148 . 1 1 18 18 ASN HB3 H 1 2.762 0.030 . 1 . . . . 18 ASN HB3 . 11223 1 149 . 1 1 18 18 ASN HD21 H 1 6.937 0.030 . 2 . . . . 18 ASN HD21 . 11223 1 150 . 1 1 18 18 ASN HD22 H 1 7.524 0.030 . 2 . . . . 18 ASN HD22 . 11223 1 151 . 1 1 18 18 ASN C C 13 173.501 0.300 . 1 . . . . 18 ASN C . 11223 1 152 . 1 1 18 18 ASN CA C 13 52.025 0.300 . 1 . . . . 18 ASN CA . 11223 1 153 . 1 1 18 18 ASN CB C 13 39.803 0.300 . 1 . . . . 18 ASN CB . 11223 1 154 . 1 1 18 18 ASN N N 15 125.752 0.300 . 1 . . . . 18 ASN N . 11223 1 155 . 1 1 18 18 ASN ND2 N 15 113.706 0.300 . 1 . . . . 18 ASN ND2 . 11223 1 156 . 1 1 19 19 ILE H H 1 8.545 0.030 . 1 . . . . 19 ILE H . 11223 1 157 . 1 1 19 19 ILE HA H 1 4.635 0.030 . 1 . . . . 19 ILE HA . 11223 1 158 . 1 1 19 19 ILE HB H 1 1.488 0.030 . 1 . . . . 19 ILE HB . 11223 1 159 . 1 1 19 19 ILE HD11 H 1 0.868 0.030 . 1 . . . . 19 ILE HD1 . 11223 1 160 . 1 1 19 19 ILE HD12 H 1 0.868 0.030 . 1 . . . . 19 ILE HD1 . 11223 1 161 . 1 1 19 19 ILE HD13 H 1 0.868 0.030 . 1 . . . . 19 ILE HD1 . 11223 1 162 . 1 1 19 19 ILE HG12 H 1 1.262 0.030 . 2 . . . . 19 ILE HG12 . 11223 1 163 . 1 1 19 19 ILE HG13 H 1 1.467 0.030 . 2 . . . . 19 ILE HG13 . 11223 1 164 . 1 1 19 19 ILE HG21 H 1 0.647 0.030 . 1 . . . . 19 ILE HG2 . 11223 1 165 . 1 1 19 19 ILE HG22 H 1 0.647 0.030 . 1 . . . . 19 ILE HG2 . 11223 1 166 . 1 1 19 19 ILE HG23 H 1 0.647 0.030 . 1 . . . . 19 ILE HG2 . 11223 1 167 . 1 1 19 19 ILE C C 13 172.494 0.300 . 1 . . . . 19 ILE C . 11223 1 168 . 1 1 19 19 ILE CA C 13 58.442 0.300 . 1 . . . . 19 ILE CA . 11223 1 169 . 1 1 19 19 ILE CB C 13 42.574 0.300 . 1 . . . . 19 ILE CB . 11223 1 170 . 1 1 19 19 ILE CD1 C 13 14.567 0.300 . 1 . . . . 19 ILE CD1 . 11223 1 171 . 1 1 19 19 ILE CG1 C 13 27.871 0.300 . 1 . . . . 19 ILE CG1 . 11223 1 172 . 1 1 19 19 ILE CG2 C 13 17.683 0.300 . 1 . . . . 19 ILE CG2 . 11223 1 173 . 1 1 19 19 ILE N N 15 123.593 0.300 . 1 . . . . 19 ILE N . 11223 1 174 . 1 1 20 20 SER H H 1 7.668 0.030 . 1 . . . . 20 SER H . 11223 1 175 . 1 1 20 20 SER HA H 1 4.827 0.030 . 1 . . . . 20 SER HA . 11223 1 176 . 1 1 20 20 SER HB2 H 1 3.776 0.030 . 2 . . . . 20 SER HB2 . 11223 1 177 . 1 1 20 20 SER HB3 H 1 3.632 0.030 . 2 . . . . 20 SER HB3 . 11223 1 178 . 1 1 20 20 SER C C 13 173.244 0.300 . 1 . . . . 20 SER C . 11223 1 179 . 1 1 20 20 SER CA C 13 58.240 0.300 . 1 . . . . 20 SER CA . 11223 1 180 . 1 1 20 20 SER CB C 13 64.678 0.300 . 1 . . . . 20 SER CB . 11223 1 181 . 1 1 20 20 SER N N 15 119.837 0.300 . 1 . . . . 20 SER N . 11223 1 182 . 1 1 21 21 GLU H H 1 8.160 0.030 . 1 . . . . 21 GLU H . 11223 1 183 . 1 1 21 21 GLU HA H 1 3.541 0.030 . 1 . . . . 21 GLU HA . 11223 1 184 . 1 1 21 21 GLU HB2 H 1 1.946 0.030 . 2 . . . . 21 GLU HB2 . 11223 1 185 . 1 1 21 21 GLU HB3 H 1 1.868 0.030 . 2 . . . . 21 GLU HB3 . 11223 1 186 . 1 1 21 21 GLU HG2 H 1 2.342 0.030 . 2 . . . . 21 GLU HG2 . 11223 1 187 . 1 1 21 21 GLU HG3 H 1 2.294 0.030 . 2 . . . . 21 GLU HG3 . 11223 1 188 . 1 1 21 21 GLU C C 13 176.486 0.300 . 1 . . . . 21 GLU C . 11223 1 189 . 1 1 21 21 GLU CA C 13 57.953 0.300 . 1 . . . . 21 GLU CA . 11223 1 190 . 1 1 21 21 GLU CB C 13 30.116 0.300 . 1 . . . . 21 GLU CB . 11223 1 191 . 1 1 21 21 GLU CG C 13 36.491 0.300 . 1 . . . . 21 GLU CG . 11223 1 192 . 1 1 21 21 GLU N N 15 120.213 0.300 . 1 . . . . 21 GLU N . 11223 1 193 . 1 1 22 22 GLY H H 1 9.012 0.030 . 1 . . . . 22 GLY H . 11223 1 194 . 1 1 22 22 GLY HA2 H 1 4.408 0.030 . 2 . . . . 22 GLY HA2 . 11223 1 195 . 1 1 22 22 GLY HA3 H 1 3.578 0.030 . 2 . . . . 22 GLY HA3 . 11223 1 196 . 1 1 22 22 GLY C C 13 174.234 0.300 . 1 . . . . 22 GLY C . 11223 1 197 . 1 1 22 22 GLY CA C 13 44.986 0.300 . 1 . . . . 22 GLY CA . 11223 1 198 . 1 1 22 22 GLY N N 15 112.598 0.300 . 1 . . . . 22 GLY N . 11223 1 199 . 1 1 23 23 ARG H H 1 7.299 0.030 . 1 . . . . 23 ARG H . 11223 1 200 . 1 1 23 23 ARG HA H 1 4.525 0.030 . 1 . . . . 23 ARG HA . 11223 1 201 . 1 1 23 23 ARG HB2 H 1 2.062 0.030 . 2 . . . . 23 ARG HB2 . 11223 1 202 . 1 1 23 23 ARG HB3 H 1 1.871 0.030 . 2 . . . . 23 ARG HB3 . 11223 1 203 . 1 1 23 23 ARG HD2 H 1 3.213 0.030 . 1 . . . . 23 ARG HD2 . 11223 1 204 . 1 1 23 23 ARG HD3 H 1 3.213 0.030 . 1 . . . . 23 ARG HD3 . 11223 1 205 . 1 1 23 23 ARG HG2 H 1 1.710 0.030 . 2 . . . . 23 ARG HG2 . 11223 1 206 . 1 1 23 23 ARG HG3 H 1 1.593 0.030 . 2 . . . . 23 ARG HG3 . 11223 1 207 . 1 1 23 23 ARG C C 13 175.321 0.300 . 1 . . . . 23 ARG C . 11223 1 208 . 1 1 23 23 ARG CA C 13 55.050 0.300 . 1 . . . . 23 ARG CA . 11223 1 209 . 1 1 23 23 ARG CB C 13 31.307 0.300 . 1 . . . . 23 ARG CB . 11223 1 210 . 1 1 23 23 ARG CD C 13 42.932 0.300 . 1 . . . . 23 ARG CD . 11223 1 211 . 1 1 23 23 ARG CG C 13 27.510 0.300 . 1 . . . . 23 ARG CG . 11223 1 212 . 1 1 23 23 ARG N N 15 119.659 0.300 . 1 . . . . 23 ARG N . 11223 1 213 . 1 1 24 24 MET H H 1 8.244 0.030 . 1 . . . . 24 MET H . 11223 1 214 . 1 1 24 24 MET HA H 1 4.468 0.030 . 1 . . . . 24 MET HA . 11223 1 215 . 1 1 24 24 MET HB2 H 1 2.002 0.030 . 2 . . . . 24 MET HB2 . 11223 1 216 . 1 1 24 24 MET HB3 H 1 2.152 0.030 . 2 . . . . 24 MET HB3 . 11223 1 217 . 1 1 24 24 MET HE1 H 1 2.038 0.030 . 1 . . . . 24 MET HE . 11223 1 218 . 1 1 24 24 MET HE2 H 1 2.038 0.030 . 1 . . . . 24 MET HE . 11223 1 219 . 1 1 24 24 MET HE3 H 1 2.038 0.030 . 1 . . . . 24 MET HE . 11223 1 220 . 1 1 24 24 MET HG2 H 1 2.507 0.030 . 2 . . . . 24 MET HG2 . 11223 1 221 . 1 1 24 24 MET HG3 H 1 2.761 0.030 . 2 . . . . 24 MET HG3 . 11223 1 222 . 1 1 24 24 MET C C 13 175.026 0.300 . 1 . . . . 24 MET C . 11223 1 223 . 1 1 24 24 MET CA C 13 55.923 0.300 . 1 . . . . 24 MET CA . 11223 1 224 . 1 1 24 24 MET CB C 13 33.563 0.300 . 1 . . . . 24 MET CB . 11223 1 225 . 1 1 24 24 MET CE C 13 16.997 0.300 . 1 . . . . 24 MET CE . 11223 1 226 . 1 1 24 24 MET CG C 13 31.526 0.300 . 1 . . . . 24 MET CG . 11223 1 227 . 1 1 24 24 MET N N 15 120.416 0.300 . 1 . . . . 24 MET N . 11223 1 228 . 1 1 25 25 ALA H H 1 8.032 0.030 . 1 . . . . 25 ALA H . 11223 1 229 . 1 1 25 25 ALA HA H 1 4.652 0.030 . 1 . . . . 25 ALA HA . 11223 1 230 . 1 1 25 25 ALA HB1 H 1 0.842 0.030 . 1 . . . . 25 ALA HB . 11223 1 231 . 1 1 25 25 ALA HB2 H 1 0.842 0.030 . 1 . . . . 25 ALA HB . 11223 1 232 . 1 1 25 25 ALA HB3 H 1 0.842 0.030 . 1 . . . . 25 ALA HB . 11223 1 233 . 1 1 25 25 ALA C C 13 175.021 0.300 . 1 . . . . 25 ALA C . 11223 1 234 . 1 1 25 25 ALA CA C 13 50.939 0.300 . 1 . . . . 25 ALA CA . 11223 1 235 . 1 1 25 25 ALA CB C 13 23.664 0.300 . 1 . . . . 25 ALA CB . 11223 1 236 . 1 1 25 25 ALA N N 15 123.119 0.300 . 1 . . . . 25 ALA N . 11223 1 237 . 1 1 26 26 GLU H H 1 7.854 0.030 . 1 . . . . 26 GLU H . 11223 1 238 . 1 1 26 26 GLU HA H 1 5.494 0.030 . 1 . . . . 26 GLU HA . 11223 1 239 . 1 1 26 26 GLU HB2 H 1 1.743 0.030 . 2 . . . . 26 GLU HB2 . 11223 1 240 . 1 1 26 26 GLU HB3 H 1 1.674 0.030 . 2 . . . . 26 GLU HB3 . 11223 1 241 . 1 1 26 26 GLU HG2 H 1 2.130 0.030 . 2 . . . . 26 GLU HG2 . 11223 1 242 . 1 1 26 26 GLU HG3 H 1 2.089 0.030 . 2 . . . . 26 GLU HG3 . 11223 1 243 . 1 1 26 26 GLU C C 13 174.716 0.300 . 1 . . . . 26 GLU C . 11223 1 244 . 1 1 26 26 GLU CA C 13 54.479 0.300 . 1 . . . . 26 GLU CA . 11223 1 245 . 1 1 26 26 GLU CB C 13 33.959 0.300 . 1 . . . . 26 GLU CB . 11223 1 246 . 1 1 26 26 GLU CG C 13 37.005 0.300 . 1 . . . . 26 GLU CG . 11223 1 247 . 1 1 26 26 GLU N N 15 116.970 0.300 . 1 . . . . 26 GLU N . 11223 1 248 . 1 1 27 27 LEU H H 1 8.629 0.030 . 1 . . . . 27 LEU H . 11223 1 249 . 1 1 27 27 LEU HA H 1 4.730 0.030 . 1 . . . . 27 LEU HA . 11223 1 250 . 1 1 27 27 LEU HB2 H 1 1.385 0.030 . 2 . . . . 27 LEU HB2 . 11223 1 251 . 1 1 27 27 LEU HB3 H 1 1.348 0.030 . 2 . . . . 27 LEU HB3 . 11223 1 252 . 1 1 27 27 LEU HD11 H 1 0.486 0.030 . 1 . . . . 27 LEU HD1 . 11223 1 253 . 1 1 27 27 LEU HD12 H 1 0.486 0.030 . 1 . . . . 27 LEU HD1 . 11223 1 254 . 1 1 27 27 LEU HD13 H 1 0.486 0.030 . 1 . . . . 27 LEU HD1 . 11223 1 255 . 1 1 27 27 LEU HD21 H 1 0.859 0.030 . 1 . . . . 27 LEU HD2 . 11223 1 256 . 1 1 27 27 LEU HD22 H 1 0.859 0.030 . 1 . . . . 27 LEU HD2 . 11223 1 257 . 1 1 27 27 LEU HD23 H 1 0.859 0.030 . 1 . . . . 27 LEU HD2 . 11223 1 258 . 1 1 27 27 LEU HG H 1 1.313 0.030 . 1 . . . . 27 LEU HG . 11223 1 259 . 1 1 27 27 LEU C C 13 174.905 0.300 . 1 . . . . 27 LEU C . 11223 1 260 . 1 1 27 27 LEU CA C 13 53.411 0.300 . 1 . . . . 27 LEU CA . 11223 1 261 . 1 1 27 27 LEU CB C 13 45.543 0.300 . 1 . . . . 27 LEU CB . 11223 1 262 . 1 1 27 27 LEU CD1 C 13 26.155 0.300 . 2 . . . . 27 LEU CD1 . 11223 1 263 . 1 1 27 27 LEU CD2 C 13 24.565 0.300 . 2 . . . . 27 LEU CD2 . 11223 1 264 . 1 1 27 27 LEU CG C 13 27.057 0.300 . 1 . . . . 27 LEU CG . 11223 1 265 . 1 1 27 27 LEU N N 15 121.205 0.300 . 1 . . . . 27 LEU N . 11223 1 266 . 1 1 28 28 LYS H H 1 8.576 0.030 . 1 . . . . 28 LYS H . 11223 1 267 . 1 1 28 28 LYS HA H 1 4.284 0.030 . 1 . . . . 28 LYS HA . 11223 1 268 . 1 1 28 28 LYS HB2 H 1 1.588 0.030 . 2 . . . . 28 LYS HB2 . 11223 1 269 . 1 1 28 28 LYS HB3 H 1 1.761 0.030 . 2 . . . . 28 LYS HB3 . 11223 1 270 . 1 1 28 28 LYS HD2 H 1 1.592 0.030 . 2 . . . . 28 LYS HD2 . 11223 1 271 . 1 1 28 28 LYS HD3 H 1 1.547 0.030 . 2 . . . . 28 LYS HD3 . 11223 1 272 . 1 1 28 28 LYS HE2 H 1 2.918 0.030 . 1 . . . . 28 LYS HE2 . 11223 1 273 . 1 1 28 28 LYS HE3 H 1 2.918 0.030 . 1 . . . . 28 LYS HE3 . 11223 1 274 . 1 1 28 28 LYS HG2 H 1 1.450 0.030 . 2 . . . . 28 LYS HG2 . 11223 1 275 . 1 1 28 28 LYS HG3 H 1 1.372 0.030 . 2 . . . . 28 LYS HG3 . 11223 1 276 . 1 1 28 28 LYS C C 13 174.570 0.300 . 1 . . . . 28 LYS C . 11223 1 277 . 1 1 28 28 LYS CA C 13 55.768 0.300 . 1 . . . . 28 LYS CA . 11223 1 278 . 1 1 28 28 LYS CB C 13 33.834 0.300 . 1 . . . . 28 LYS CB . 11223 1 279 . 1 1 28 28 LYS CD C 13 28.806 0.300 . 1 . . . . 28 LYS CD . 11223 1 280 . 1 1 28 28 LYS CE C 13 42.216 0.300 . 1 . . . . 28 LYS CE . 11223 1 281 . 1 1 28 28 LYS CG C 13 25.010 0.300 . 1 . . . . 28 LYS CG . 11223 1 282 . 1 1 28 28 LYS N N 15 121.755 0.300 . 1 . . . . 28 LYS N . 11223 1 283 . 1 1 29 29 CYS H H 1 8.541 0.030 . 1 . . . . 29 CYS H . 11223 1 284 . 1 1 29 29 CYS HA H 1 4.363 0.030 . 1 . . . . 29 CYS HA . 11223 1 285 . 1 1 29 29 CYS HB2 H 1 3.493 0.030 . 2 . . . . 29 CYS HB2 . 11223 1 286 . 1 1 29 29 CYS HB3 H 1 3.323 0.030 . 2 . . . . 29 CYS HB3 . 11223 1 287 . 1 1 29 29 CYS C C 13 171.584 0.300 . 1 . . . . 29 CYS C . 11223 1 288 . 1 1 29 29 CYS CA C 13 55.106 0.300 . 1 . . . . 29 CYS CA . 11223 1 289 . 1 1 29 29 CYS CB C 13 41.485 0.300 . 1 . . . . 29 CYS CB . 11223 1 290 . 1 1 29 29 CYS N N 15 117.560 0.300 . 1 . . . . 29 CYS N . 11223 1 291 . 1 1 30 30 ARG H H 1 8.302 0.030 . 1 . . . . 30 ARG H . 11223 1 292 . 1 1 30 30 ARG HA H 1 4.646 0.030 . 1 . . . . 30 ARG HA . 11223 1 293 . 1 1 30 30 ARG HB2 H 1 1.818 0.030 . 1 . . . . 30 ARG HB2 . 11223 1 294 . 1 1 30 30 ARG HB3 H 1 1.818 0.030 . 1 . . . . 30 ARG HB3 . 11223 1 295 . 1 1 30 30 ARG HD2 H 1 3.341 0.030 . 2 . . . . 30 ARG HD2 . 11223 1 296 . 1 1 30 30 ARG HD3 H 1 3.241 0.030 . 2 . . . . 30 ARG HD3 . 11223 1 297 . 1 1 30 30 ARG HG2 H 1 1.610 0.030 . 2 . . . . 30 ARG HG2 . 11223 1 298 . 1 1 30 30 ARG HG3 H 1 1.821 0.030 . 2 . . . . 30 ARG HG3 . 11223 1 299 . 1 1 30 30 ARG C C 13 176.310 0.300 . 1 . . . . 30 ARG C . 11223 1 300 . 1 1 30 30 ARG CA C 13 56.090 0.300 . 1 . . . . 30 ARG CA . 11223 1 301 . 1 1 30 30 ARG CB C 13 31.515 0.300 . 1 . . . . 30 ARG CB . 11223 1 302 . 1 1 30 30 ARG CD C 13 43.271 0.300 . 1 . . . . 30 ARG CD . 11223 1 303 . 1 1 30 30 ARG CG C 13 27.847 0.300 . 1 . . . . 30 ARG CG . 11223 1 304 . 1 1 30 30 ARG N N 15 123.864 0.300 . 1 . . . . 30 ARG N . 11223 1 305 . 1 1 31 31 THR H H 1 8.268 0.030 . 1 . . . . 31 THR H . 11223 1 306 . 1 1 31 31 THR HA H 1 4.839 0.030 . 1 . . . . 31 THR HA . 11223 1 307 . 1 1 31 31 THR HB H 1 4.305 0.030 . 1 . . . . 31 THR HB . 11223 1 308 . 1 1 31 31 THR HG21 H 1 1.100 0.030 . 1 . . . . 31 THR HG2 . 11223 1 309 . 1 1 31 31 THR HG22 H 1 1.100 0.030 . 1 . . . . 31 THR HG2 . 11223 1 310 . 1 1 31 31 THR HG23 H 1 1.100 0.030 . 1 . . . . 31 THR HG2 . 11223 1 311 . 1 1 31 31 THR C C 13 172.210 0.300 . 1 . . . . 31 THR C . 11223 1 312 . 1 1 31 31 THR CA C 13 59.404 0.300 . 1 . . . . 31 THR CA . 11223 1 313 . 1 1 31 31 THR CB C 13 69.740 0.300 . 1 . . . . 31 THR CB . 11223 1 314 . 1 1 31 31 THR CG2 C 13 23.050 0.300 . 1 . . . . 31 THR CG2 . 11223 1 315 . 1 1 31 31 THR N N 15 117.007 0.300 . 1 . . . . 31 THR N . 11223 1 316 . 1 1 32 32 PRO HA H 1 4.744 0.030 . 1 . . . . 32 PRO HA . 11223 1 317 . 1 1 32 32 PRO HB2 H 1 2.462 0.030 . 2 . . . . 32 PRO HB2 . 11223 1 318 . 1 1 32 32 PRO HB3 H 1 1.848 0.030 . 2 . . . . 32 PRO HB3 . 11223 1 319 . 1 1 32 32 PRO HD2 H 1 3.604 0.030 . 1 . . . . 32 PRO HD2 . 11223 1 320 . 1 1 32 32 PRO HD3 H 1 3.604 0.030 . 1 . . . . 32 PRO HD3 . 11223 1 321 . 1 1 32 32 PRO HG2 H 1 1.966 0.030 . 2 . . . . 32 PRO HG2 . 11223 1 322 . 1 1 32 32 PRO HG3 H 1 1.859 0.030 . 2 . . . . 32 PRO HG3 . 11223 1 323 . 1 1 32 32 PRO CA C 13 61.833 0.300 . 1 . . . . 32 PRO CA . 11223 1 324 . 1 1 32 32 PRO CB C 13 30.554 0.300 . 1 . . . . 32 PRO CB . 11223 1 325 . 1 1 32 32 PRO CD C 13 51.042 0.300 . 1 . . . . 32 PRO CD . 11223 1 326 . 1 1 32 32 PRO CG C 13 27.621 0.300 . 1 . . . . 32 PRO CG . 11223 1 327 . 1 1 33 33 PRO HA H 1 4.452 0.030 . 1 . . . . 33 PRO HA . 11223 1 328 . 1 1 33 33 PRO HB2 H 1 2.429 0.030 . 2 . . . . 33 PRO HB2 . 11223 1 329 . 1 1 33 33 PRO HB3 H 1 1.863 0.030 . 2 . . . . 33 PRO HB3 . 11223 1 330 . 1 1 33 33 PRO HD2 H 1 3.832 0.030 . 2 . . . . 33 PRO HD2 . 11223 1 331 . 1 1 33 33 PRO HD3 H 1 3.570 0.030 . 2 . . . . 33 PRO HD3 . 11223 1 332 . 1 1 33 33 PRO HG2 H 1 2.083 0.030 . 2 . . . . 33 PRO HG2 . 11223 1 333 . 1 1 33 33 PRO HG3 H 1 2.046 0.030 . 2 . . . . 33 PRO HG3 . 11223 1 334 . 1 1 33 33 PRO C C 13 176.118 0.300 . 1 . . . . 33 PRO C . 11223 1 335 . 1 1 33 33 PRO CA C 13 63.726 0.300 . 1 . . . . 33 PRO CA . 11223 1 336 . 1 1 33 33 PRO CB C 13 32.281 0.300 . 1 . . . . 33 PRO CB . 11223 1 337 . 1 1 33 33 PRO CD C 13 50.556 0.300 . 1 . . . . 33 PRO CD . 11223 1 338 . 1 1 33 33 PRO CG C 13 27.637 0.300 . 1 . . . . 33 PRO CG . 11223 1 339 . 1 1 34 34 MET H H 1 8.876 0.030 . 1 . . . . 34 MET H . 11223 1 340 . 1 1 34 34 MET HA H 1 4.153 0.030 . 1 . . . . 34 MET HA . 11223 1 341 . 1 1 34 34 MET HB2 H 1 2.269 0.030 . 2 . . . . 34 MET HB2 . 11223 1 342 . 1 1 34 34 MET HB3 H 1 2.406 0.030 . 2 . . . . 34 MET HB3 . 11223 1 343 . 1 1 34 34 MET HE1 H 1 2.100 0.030 . 1 . . . . 34 MET HE . 11223 1 344 . 1 1 34 34 MET HE2 H 1 2.100 0.030 . 1 . . . . 34 MET HE . 11223 1 345 . 1 1 34 34 MET HE3 H 1 2.100 0.030 . 1 . . . . 34 MET HE . 11223 1 346 . 1 1 34 34 MET HG2 H 1 2.481 0.030 . 2 . . . . 34 MET HG2 . 11223 1 347 . 1 1 34 34 MET HG3 H 1 2.581 0.030 . 2 . . . . 34 MET HG3 . 11223 1 348 . 1 1 34 34 MET C C 13 176.172 0.300 . 1 . . . . 34 MET C . 11223 1 349 . 1 1 34 34 MET CA C 13 56.460 0.300 . 1 . . . . 34 MET CA . 11223 1 350 . 1 1 34 34 MET CB C 13 29.059 0.300 . 1 . . . . 34 MET CB . 11223 1 351 . 1 1 34 34 MET CE C 13 16.932 0.300 . 1 . . . . 34 MET CE . 11223 1 352 . 1 1 34 34 MET CG C 13 32.769 0.300 . 1 . . . . 34 MET CG . 11223 1 353 . 1 1 34 34 MET N N 15 114.507 0.300 . 1 . . . . 34 MET N . 11223 1 354 . 1 1 35 35 SER H H 1 7.837 0.030 . 1 . . . . 35 SER H . 11223 1 355 . 1 1 35 35 SER HA H 1 5.156 0.030 . 1 . . . . 35 SER HA . 11223 1 356 . 1 1 35 35 SER HB2 H 1 3.857 0.030 . 2 . . . . 35 SER HB2 . 11223 1 357 . 1 1 35 35 SER HB3 H 1 3.734 0.030 . 2 . . . . 35 SER HB3 . 11223 1 358 . 1 1 35 35 SER C C 13 173.251 0.300 . 1 . . . . 35 SER C . 11223 1 359 . 1 1 35 35 SER CA C 13 58.122 0.300 . 1 . . . . 35 SER CA . 11223 1 360 . 1 1 35 35 SER CB C 13 64.774 0.300 . 1 . . . . 35 SER CB . 11223 1 361 . 1 1 35 35 SER N N 15 114.151 0.300 . 1 . . . . 35 SER N . 11223 1 362 . 1 1 36 36 SER H H 1 8.948 0.030 . 1 . . . . 36 SER H . 11223 1 363 . 1 1 36 36 SER HA H 1 4.878 0.030 . 1 . . . . 36 SER HA . 11223 1 364 . 1 1 36 36 SER HB2 H 1 3.852 0.030 . 1 . . . . 36 SER HB2 . 11223 1 365 . 1 1 36 36 SER HB3 H 1 3.852 0.030 . 1 . . . . 36 SER HB3 . 11223 1 366 . 1 1 36 36 SER C C 13 173.230 0.300 . 1 . . . . 36 SER C . 11223 1 367 . 1 1 36 36 SER CA C 13 57.349 0.300 . 1 . . . . 36 SER CA . 11223 1 368 . 1 1 36 36 SER CB C 13 64.644 0.300 . 1 . . . . 36 SER CB . 11223 1 369 . 1 1 36 36 SER N N 15 118.848 0.300 . 1 . . . . 36 SER N . 11223 1 370 . 1 1 37 37 VAL H H 1 8.425 0.030 . 1 . . . . 37 VAL H . 11223 1 371 . 1 1 37 37 VAL HA H 1 4.757 0.030 . 1 . . . . 37 VAL HA . 11223 1 372 . 1 1 37 37 VAL HB H 1 1.892 0.030 . 1 . . . . 37 VAL HB . 11223 1 373 . 1 1 37 37 VAL HG11 H 1 0.891 0.030 . 1 . . . . 37 VAL HG1 . 11223 1 374 . 1 1 37 37 VAL HG12 H 1 0.891 0.030 . 1 . . . . 37 VAL HG1 . 11223 1 375 . 1 1 37 37 VAL HG13 H 1 0.891 0.030 . 1 . . . . 37 VAL HG1 . 11223 1 376 . 1 1 37 37 VAL HG21 H 1 0.952 0.030 . 1 . . . . 37 VAL HG2 . 11223 1 377 . 1 1 37 37 VAL HG22 H 1 0.952 0.030 . 1 . . . . 37 VAL HG2 . 11223 1 378 . 1 1 37 37 VAL HG23 H 1 0.952 0.030 . 1 . . . . 37 VAL HG2 . 11223 1 379 . 1 1 37 37 VAL C C 13 175.193 0.300 . 1 . . . . 37 VAL C . 11223 1 380 . 1 1 37 37 VAL CA C 13 61.776 0.300 . 1 . . . . 37 VAL CA . 11223 1 381 . 1 1 37 37 VAL CB C 13 35.193 0.300 . 1 . . . . 37 VAL CB . 11223 1 382 . 1 1 37 37 VAL CG1 C 13 22.323 0.300 . 2 . . . . 37 VAL CG1 . 11223 1 383 . 1 1 37 37 VAL CG2 C 13 22.719 0.300 . 2 . . . . 37 VAL CG2 . 11223 1 384 . 1 1 37 37 VAL N N 15 124.052 0.300 . 1 . . . . 37 VAL N . 11223 1 385 . 1 1 38 38 LYS H H 1 8.713 0.030 . 1 . . . . 38 LYS H . 11223 1 386 . 1 1 38 38 LYS HA H 1 4.940 0.030 . 1 . . . . 38 LYS HA . 11223 1 387 . 1 1 38 38 LYS HB2 H 1 1.716 0.030 . 2 . . . . 38 LYS HB2 . 11223 1 388 . 1 1 38 38 LYS HB3 H 1 1.580 0.030 . 2 . . . . 38 LYS HB3 . 11223 1 389 . 1 1 38 38 LYS HD2 H 1 1.556 0.030 . 1 . . . . 38 LYS HD2 . 11223 1 390 . 1 1 38 38 LYS HD3 H 1 1.556 0.030 . 1 . . . . 38 LYS HD3 . 11223 1 391 . 1 1 38 38 LYS HE2 H 1 2.913 0.030 . 1 . . . . 38 LYS HE2 . 11223 1 392 . 1 1 38 38 LYS HE3 H 1 2.913 0.030 . 1 . . . . 38 LYS HE3 . 11223 1 393 . 1 1 38 38 LYS HG2 H 1 1.415 0.030 . 2 . . . . 38 LYS HG2 . 11223 1 394 . 1 1 38 38 LYS HG3 H 1 1.352 0.030 . 2 . . . . 38 LYS HG3 . 11223 1 395 . 1 1 38 38 LYS C C 13 173.566 0.300 . 1 . . . . 38 LYS C . 11223 1 396 . 1 1 38 38 LYS CA C 13 54.964 0.300 . 1 . . . . 38 LYS CA . 11223 1 397 . 1 1 38 38 LYS CB C 13 37.126 0.300 . 1 . . . . 38 LYS CB . 11223 1 398 . 1 1 38 38 LYS CD C 13 29.616 0.300 . 1 . . . . 38 LYS CD . 11223 1 399 . 1 1 38 38 LYS CE C 13 42.205 0.300 . 1 . . . . 38 LYS CE . 11223 1 400 . 1 1 38 38 LYS CG C 13 25.655 0.300 . 1 . . . . 38 LYS CG . 11223 1 401 . 1 1 38 38 LYS N N 15 126.048 0.300 . 1 . . . . 38 LYS N . 11223 1 402 . 1 1 39 39 TRP H H 1 9.257 0.030 . 1 . . . . 39 TRP H . 11223 1 403 . 1 1 39 39 TRP HA H 1 5.514 0.030 . 1 . . . . 39 TRP HA . 11223 1 404 . 1 1 39 39 TRP HB2 H 1 2.926 0.030 . 2 . . . . 39 TRP HB2 . 11223 1 405 . 1 1 39 39 TRP HB3 H 1 2.605 0.030 . 2 . . . . 39 TRP HB3 . 11223 1 406 . 1 1 39 39 TRP HD1 H 1 6.834 0.030 . 1 . . . . 39 TRP HD1 . 11223 1 407 . 1 1 39 39 TRP HE1 H 1 10.528 0.030 . 1 . . . . 39 TRP HE1 . 11223 1 408 . 1 1 39 39 TRP HE3 H 1 7.339 0.030 . 1 . . . . 39 TRP HE3 . 11223 1 409 . 1 1 39 39 TRP HH2 H 1 6.855 0.030 . 1 . . . . 39 TRP HH2 . 11223 1 410 . 1 1 39 39 TRP HZ2 H 1 7.383 0.030 . 1 . . . . 39 TRP HZ2 . 11223 1 411 . 1 1 39 39 TRP HZ3 H 1 6.777 0.030 . 1 . . . . 39 TRP HZ3 . 11223 1 412 . 1 1 39 39 TRP C C 13 174.294 0.300 . 1 . . . . 39 TRP C . 11223 1 413 . 1 1 39 39 TRP CA C 13 55.941 0.300 . 1 . . . . 39 TRP CA . 11223 1 414 . 1 1 39 39 TRP CB C 13 32.566 0.300 . 1 . . . . 39 TRP CB . 11223 1 415 . 1 1 39 39 TRP CD1 C 13 125.149 0.300 . 1 . . . . 39 TRP CD1 . 11223 1 416 . 1 1 39 39 TRP CE3 C 13 119.536 0.300 . 1 . . . . 39 TRP CE3 . 11223 1 417 . 1 1 39 39 TRP CH2 C 13 123.681 0.300 . 1 . . . . 39 TRP CH2 . 11223 1 418 . 1 1 39 39 TRP CZ2 C 13 116.967 0.300 . 1 . . . . 39 TRP CZ2 . 11223 1 419 . 1 1 39 39 TRP CZ3 C 13 120.662 0.300 . 1 . . . . 39 TRP CZ3 . 11223 1 420 . 1 1 39 39 TRP N N 15 119.619 0.300 . 1 . . . . 39 TRP N . 11223 1 421 . 1 1 39 39 TRP NE1 N 15 129.930 0.300 . 1 . . . . 39 TRP NE1 . 11223 1 422 . 1 1 40 40 LEU H H 1 9.569 0.030 . 1 . . . . 40 LEU H . 11223 1 423 . 1 1 40 40 LEU HA H 1 5.017 0.030 . 1 . . . . 40 LEU HA . 11223 1 424 . 1 1 40 40 LEU HB2 H 1 1.891 0.030 . 2 . . . . 40 LEU HB2 . 11223 1 425 . 1 1 40 40 LEU HB3 H 1 1.464 0.030 . 2 . . . . 40 LEU HB3 . 11223 1 426 . 1 1 40 40 LEU HD11 H 1 0.838 0.030 . 1 . . . . 40 LEU HD1 . 11223 1 427 . 1 1 40 40 LEU HD12 H 1 0.838 0.030 . 1 . . . . 40 LEU HD1 . 11223 1 428 . 1 1 40 40 LEU HD13 H 1 0.838 0.030 . 1 . . . . 40 LEU HD1 . 11223 1 429 . 1 1 40 40 LEU HD21 H 1 0.836 0.030 . 1 . . . . 40 LEU HD2 . 11223 1 430 . 1 1 40 40 LEU HD22 H 1 0.836 0.030 . 1 . . . . 40 LEU HD2 . 11223 1 431 . 1 1 40 40 LEU HD23 H 1 0.836 0.030 . 1 . . . . 40 LEU HD2 . 11223 1 432 . 1 1 40 40 LEU HG H 1 1.550 0.030 . 1 . . . . 40 LEU HG . 11223 1 433 . 1 1 40 40 LEU C C 13 176.467 0.300 . 1 . . . . 40 LEU C . 11223 1 434 . 1 1 40 40 LEU CA C 13 53.709 0.300 . 1 . . . . 40 LEU CA . 11223 1 435 . 1 1 40 40 LEU CB C 13 44.376 0.300 . 1 . . . . 40 LEU CB . 11223 1 436 . 1 1 40 40 LEU CD1 C 13 26.064 0.300 . 2 . . . . 40 LEU CD1 . 11223 1 437 . 1 1 40 40 LEU CD2 C 13 24.147 0.300 . 2 . . . . 40 LEU CD2 . 11223 1 438 . 1 1 40 40 LEU CG C 13 27.249 0.300 . 1 . . . . 40 LEU CG . 11223 1 439 . 1 1 40 40 LEU N N 15 124.899 0.300 . 1 . . . . 40 LEU N . 11223 1 440 . 1 1 41 41 LEU H H 1 9.029 0.030 . 1 . . . . 41 LEU H . 11223 1 441 . 1 1 41 41 LEU HA H 1 4.348 0.030 . 1 . . . . 41 LEU HA . 11223 1 442 . 1 1 41 41 LEU HB2 H 1 1.863 0.030 . 2 . . . . 41 LEU HB2 . 11223 1 443 . 1 1 41 41 LEU HB3 H 1 1.638 0.030 . 2 . . . . 41 LEU HB3 . 11223 1 444 . 1 1 41 41 LEU HD11 H 1 0.848 0.030 . 1 . . . . 41 LEU HD1 . 11223 1 445 . 1 1 41 41 LEU HD12 H 1 0.848 0.030 . 1 . . . . 41 LEU HD1 . 11223 1 446 . 1 1 41 41 LEU HD13 H 1 0.848 0.030 . 1 . . . . 41 LEU HD1 . 11223 1 447 . 1 1 41 41 LEU HD21 H 1 0.846 0.030 . 1 . . . . 41 LEU HD2 . 11223 1 448 . 1 1 41 41 LEU HD22 H 1 0.846 0.030 . 1 . . . . 41 LEU HD2 . 11223 1 449 . 1 1 41 41 LEU HD23 H 1 0.846 0.030 . 1 . . . . 41 LEU HD2 . 11223 1 450 . 1 1 41 41 LEU HG H 1 1.960 0.030 . 1 . . . . 41 LEU HG . 11223 1 451 . 1 1 41 41 LEU C C 13 177.115 0.300 . 1 . . . . 41 LEU C . 11223 1 452 . 1 1 41 41 LEU CA C 13 53.554 0.300 . 1 . . . . 41 LEU CA . 11223 1 453 . 1 1 41 41 LEU CB C 13 39.178 0.300 . 1 . . . . 41 LEU CB . 11223 1 454 . 1 1 41 41 LEU CD1 C 13 23.039 0.300 . 2 . . . . 41 LEU CD1 . 11223 1 455 . 1 1 41 41 LEU CD2 C 13 24.019 0.300 . 2 . . . . 41 LEU CD2 . 11223 1 456 . 1 1 41 41 LEU CG C 13 28.730 0.300 . 1 . . . . 41 LEU CG . 11223 1 457 . 1 1 41 41 LEU N N 15 128.610 0.300 . 1 . . . . 41 LEU N . 11223 1 458 . 1 1 42 42 PRO HA H 1 4.275 0.030 . 1 . . . . 42 PRO HA . 11223 1 459 . 1 1 42 42 PRO HB2 H 1 1.917 0.030 . 2 . . . . 42 PRO HB2 . 11223 1 460 . 1 1 42 42 PRO HB3 H 1 2.416 0.030 . 2 . . . . 42 PRO HB3 . 11223 1 461 . 1 1 42 42 PRO HD2 H 1 3.175 0.030 . 2 . . . . 42 PRO HD2 . 11223 1 462 . 1 1 42 42 PRO HD3 H 1 1.993 0.030 . 2 . . . . 42 PRO HD3 . 11223 1 463 . 1 1 42 42 PRO HG2 H 1 1.637 0.030 . 2 . . . . 42 PRO HG2 . 11223 1 464 . 1 1 42 42 PRO HG3 H 1 1.484 0.030 . 2 . . . . 42 PRO HG3 . 11223 1 465 . 1 1 42 42 PRO C C 13 177.265 0.300 . 1 . . . . 42 PRO C . 11223 1 466 . 1 1 42 42 PRO CA C 13 65.398 0.300 . 1 . . . . 42 PRO CA . 11223 1 467 . 1 1 42 42 PRO CB C 13 31.415 0.300 . 1 . . . . 42 PRO CB . 11223 1 468 . 1 1 42 42 PRO CD C 13 50.088 0.300 . 1 . . . . 42 PRO CD . 11223 1 469 . 1 1 42 42 PRO CG C 13 27.291 0.300 . 1 . . . . 42 PRO CG . 11223 1 470 . 1 1 43 43 ASN H H 1 7.514 0.030 . 1 . . . . 43 ASN H . 11223 1 471 . 1 1 43 43 ASN HA H 1 4.599 0.030 . 1 . . . . 43 ASN HA . 11223 1 472 . 1 1 43 43 ASN HB2 H 1 2.870 0.030 . 2 . . . . 43 ASN HB2 . 11223 1 473 . 1 1 43 43 ASN HB3 H 1 3.322 0.030 . 2 . . . . 43 ASN HB3 . 11223 1 474 . 1 1 43 43 ASN HD21 H 1 7.650 0.030 . 2 . . . . 43 ASN HD21 . 11223 1 475 . 1 1 43 43 ASN HD22 H 1 6.664 0.030 . 2 . . . . 43 ASN HD22 . 11223 1 476 . 1 1 43 43 ASN C C 13 176.861 0.300 . 1 . . . . 43 ASN C . 11223 1 477 . 1 1 43 43 ASN CA C 13 52.348 0.300 . 1 . . . . 43 ASN CA . 11223 1 478 . 1 1 43 43 ASN CB C 13 37.249 0.300 . 1 . . . . 43 ASN CB . 11223 1 479 . 1 1 43 43 ASN N N 15 111.374 0.300 . 1 . . . . 43 ASN N . 11223 1 480 . 1 1 43 43 ASN ND2 N 15 109.894 0.300 . 1 . . . . 43 ASN ND2 . 11223 1 481 . 1 1 44 44 GLY H H 1 8.401 0.030 . 1 . . . . 44 GLY H . 11223 1 482 . 1 1 44 44 GLY HA2 H 1 3.612 0.030 . 2 . . . . 44 GLY HA2 . 11223 1 483 . 1 1 44 44 GLY HA3 H 1 4.346 0.030 . 2 . . . . 44 GLY HA3 . 11223 1 484 . 1 1 44 44 GLY C C 13 174.411 0.300 . 1 . . . . 44 GLY C . 11223 1 485 . 1 1 44 44 GLY CA C 13 45.248 0.300 . 1 . . . . 44 GLY CA . 11223 1 486 . 1 1 44 44 GLY N N 15 108.708 0.300 . 1 . . . . 44 GLY N . 11223 1 487 . 1 1 45 45 THR H H 1 7.680 0.030 . 1 . . . . 45 THR H . 11223 1 488 . 1 1 45 45 THR HA H 1 4.192 0.030 . 1 . . . . 45 THR HA . 11223 1 489 . 1 1 45 45 THR HB H 1 4.174 0.030 . 1 . . . . 45 THR HB . 11223 1 490 . 1 1 45 45 THR HG21 H 1 1.205 0.030 . 1 . . . . 45 THR HG2 . 11223 1 491 . 1 1 45 45 THR HG22 H 1 1.205 0.030 . 1 . . . . 45 THR HG2 . 11223 1 492 . 1 1 45 45 THR HG23 H 1 1.205 0.030 . 1 . . . . 45 THR HG2 . 11223 1 493 . 1 1 45 45 THR C C 13 172.109 0.300 . 1 . . . . 45 THR C . 11223 1 494 . 1 1 45 45 THR CA C 13 63.518 0.300 . 1 . . . . 45 THR CA . 11223 1 495 . 1 1 45 45 THR CB C 13 70.063 0.300 . 1 . . . . 45 THR CB . 11223 1 496 . 1 1 45 45 THR CG2 C 13 21.689 0.300 . 1 . . . . 45 THR CG2 . 11223 1 497 . 1 1 45 45 THR N N 15 116.659 0.300 . 1 . . . . 45 THR N . 11223 1 498 . 1 1 46 46 VAL H H 1 8.367 0.030 . 1 . . . . 46 VAL H . 11223 1 499 . 1 1 46 46 VAL HA H 1 5.260 0.030 . 1 . . . . 46 VAL HA . 11223 1 500 . 1 1 46 46 VAL HB H 1 1.907 0.030 . 1 . . . . 46 VAL HB . 11223 1 501 . 1 1 46 46 VAL HG11 H 1 0.950 0.030 . 1 . . . . 46 VAL HG1 . 11223 1 502 . 1 1 46 46 VAL HG12 H 1 0.950 0.030 . 1 . . . . 46 VAL HG1 . 11223 1 503 . 1 1 46 46 VAL HG13 H 1 0.950 0.030 . 1 . . . . 46 VAL HG1 . 11223 1 504 . 1 1 46 46 VAL HG21 H 1 0.833 0.030 . 1 . . . . 46 VAL HG2 . 11223 1 505 . 1 1 46 46 VAL HG22 H 1 0.833 0.030 . 1 . . . . 46 VAL HG2 . 11223 1 506 . 1 1 46 46 VAL HG23 H 1 0.833 0.030 . 1 . . . . 46 VAL HG2 . 11223 1 507 . 1 1 46 46 VAL C C 13 176.376 0.300 . 1 . . . . 46 VAL C . 11223 1 508 . 1 1 46 46 VAL CA C 13 60.744 0.300 . 1 . . . . 46 VAL CA . 11223 1 509 . 1 1 46 46 VAL CB C 13 33.499 0.300 . 1 . . . . 46 VAL CB . 11223 1 510 . 1 1 46 46 VAL CG1 C 13 21.985 0.300 . 2 . . . . 46 VAL CG1 . 11223 1 511 . 1 1 46 46 VAL CG2 C 13 22.202 0.300 . 2 . . . . 46 VAL CG2 . 11223 1 512 . 1 1 46 46 VAL N N 15 124.067 0.300 . 1 . . . . 46 VAL N . 11223 1 513 . 1 1 47 47 LEU H H 1 9.621 0.030 . 1 . . . . 47 LEU H . 11223 1 514 . 1 1 47 47 LEU HA H 1 5.074 0.030 . 1 . . . . 47 LEU HA . 11223 1 515 . 1 1 47 47 LEU HB2 H 1 1.444 0.030 . 1 . . . . 47 LEU HB2 . 11223 1 516 . 1 1 47 47 LEU HB3 H 1 1.444 0.030 . 1 . . . . 47 LEU HB3 . 11223 1 517 . 1 1 47 47 LEU HD11 H 1 0.623 0.030 . 1 . . . . 47 LEU HD1 . 11223 1 518 . 1 1 47 47 LEU HD12 H 1 0.623 0.030 . 1 . . . . 47 LEU HD1 . 11223 1 519 . 1 1 47 47 LEU HD13 H 1 0.623 0.030 . 1 . . . . 47 LEU HD1 . 11223 1 520 . 1 1 47 47 LEU HD21 H 1 0.887 0.030 . 1 . . . . 47 LEU HD2 . 11223 1 521 . 1 1 47 47 LEU HD22 H 1 0.887 0.030 . 1 . . . . 47 LEU HD2 . 11223 1 522 . 1 1 47 47 LEU HD23 H 1 0.887 0.030 . 1 . . . . 47 LEU HD2 . 11223 1 523 . 1 1 47 47 LEU HG H 1 1.548 0.030 . 1 . . . . 47 LEU HG . 11223 1 524 . 1 1 47 47 LEU C C 13 175.439 0.300 . 1 . . . . 47 LEU C . 11223 1 525 . 1 1 47 47 LEU CA C 13 52.960 0.300 . 1 . . . . 47 LEU CA . 11223 1 526 . 1 1 47 47 LEU CB C 13 46.403 0.300 . 1 . . . . 47 LEU CB . 11223 1 527 . 1 1 47 47 LEU CD1 C 13 26.573 0.300 . 2 . . . . 47 LEU CD1 . 11223 1 528 . 1 1 47 47 LEU CD2 C 13 23.500 0.300 . 2 . . . . 47 LEU CD2 . 11223 1 529 . 1 1 47 47 LEU CG C 13 27.038 0.300 . 1 . . . . 47 LEU CG . 11223 1 530 . 1 1 47 47 LEU N N 15 128.327 0.300 . 1 . . . . 47 LEU N . 11223 1 531 . 1 1 48 48 SER H H 1 9.185 0.030 . 1 . . . . 48 SER H . 11223 1 532 . 1 1 48 48 SER HA H 1 5.050 0.030 . 1 . . . . 48 SER HA . 11223 1 533 . 1 1 48 48 SER HB2 H 1 4.421 0.030 . 2 . . . . 48 SER HB2 . 11223 1 534 . 1 1 48 48 SER HB3 H 1 3.896 0.030 . 2 . . . . 48 SER HB3 . 11223 1 535 . 1 1 48 48 SER C C 13 175.911 0.300 . 1 . . . . 48 SER C . 11223 1 536 . 1 1 48 48 SER CA C 13 56.559 0.300 . 1 . . . . 48 SER CA . 11223 1 537 . 1 1 48 48 SER CB C 13 67.826 0.300 . 1 . . . . 48 SER CB . 11223 1 538 . 1 1 48 48 SER N N 15 115.531 0.300 . 1 . . . . 48 SER N . 11223 1 539 . 1 1 49 49 HIS HA H 1 4.707 0.030 . 1 . . . . 49 HIS HA . 11223 1 540 . 1 1 49 49 HIS HB2 H 1 3.254 0.030 . 1 . . . . 49 HIS HB2 . 11223 1 541 . 1 1 49 49 HIS HB3 H 1 3.254 0.030 . 1 . . . . 49 HIS HB3 . 11223 1 542 . 1 1 49 49 HIS HD2 H 1 7.186 0.030 . 1 . . . . 49 HIS HD2 . 11223 1 543 . 1 1 49 49 HIS HE1 H 1 7.950 0.030 . 1 . . . . 49 HIS HE1 . 11223 1 544 . 1 1 49 49 HIS CA C 13 59.398 0.300 . 1 . . . . 49 HIS CA . 11223 1 545 . 1 1 49 49 HIS CB C 13 29.590 0.300 . 1 . . . . 49 HIS CB . 11223 1 546 . 1 1 49 49 HIS CD2 C 13 122.329 0.300 . 1 . . . . 49 HIS CD2 . 11223 1 547 . 1 1 49 49 HIS CE1 C 13 138.354 0.300 . 1 . . . . 49 HIS CE1 . 11223 1 548 . 1 1 50 50 ALA HA H 1 4.334 0.030 . 1 . . . . 50 ALA HA . 11223 1 549 . 1 1 50 50 ALA HB1 H 1 1.320 0.030 . 1 . . . . 50 ALA HB . 11223 1 550 . 1 1 50 50 ALA HB2 H 1 1.320 0.030 . 1 . . . . 50 ALA HB . 11223 1 551 . 1 1 50 50 ALA HB3 H 1 1.320 0.030 . 1 . . . . 50 ALA HB . 11223 1 552 . 1 1 50 50 ALA C C 13 178.269 0.300 . 1 . . . . 50 ALA C . 11223 1 553 . 1 1 50 50 ALA CA C 13 52.245 0.300 . 1 . . . . 50 ALA CA . 11223 1 554 . 1 1 50 50 ALA CB C 13 19.259 0.300 . 1 . . . . 50 ALA CB . 11223 1 555 . 1 1 51 51 SER H H 1 7.769 0.030 . 1 . . . . 51 SER H . 11223 1 556 . 1 1 51 51 SER HA H 1 4.376 0.030 . 1 . . . . 51 SER HA . 11223 1 557 . 1 1 51 51 SER HB2 H 1 4.221 0.030 . 2 . . . . 51 SER HB2 . 11223 1 558 . 1 1 51 51 SER HB3 H 1 4.106 0.030 . 2 . . . . 51 SER HB3 . 11223 1 559 . 1 1 51 51 SER C C 13 172.511 0.300 . 1 . . . . 51 SER C . 11223 1 560 . 1 1 51 51 SER CA C 13 60.316 0.300 . 1 . . . . 51 SER CA . 11223 1 561 . 1 1 51 51 SER CB C 13 64.109 0.300 . 1 . . . . 51 SER CB . 11223 1 562 . 1 1 51 51 SER N N 15 116.266 0.300 . 1 . . . . 51 SER N . 11223 1 563 . 1 1 52 52 ARG H H 1 8.696 0.030 . 1 . . . . 52 ARG H . 11223 1 564 . 1 1 52 52 ARG HA H 1 4.757 0.030 . 1 . . . . 52 ARG HA . 11223 1 565 . 1 1 52 52 ARG HB2 H 1 1.873 0.030 . 2 . . . . 52 ARG HB2 . 11223 1 566 . 1 1 52 52 ARG HB3 H 1 1.657 0.030 . 2 . . . . 52 ARG HB3 . 11223 1 567 . 1 1 52 52 ARG HD2 H 1 3.167 0.030 . 2 . . . . 52 ARG HD2 . 11223 1 568 . 1 1 52 52 ARG HD3 H 1 3.264 0.030 . 2 . . . . 52 ARG HD3 . 11223 1 569 . 1 1 52 52 ARG HG2 H 1 1.655 0.030 . 2 . . . . 52 ARG HG2 . 11223 1 570 . 1 1 52 52 ARG HG3 H 1 1.528 0.030 . 2 . . . . 52 ARG HG3 . 11223 1 571 . 1 1 52 52 ARG C C 13 175.503 0.300 . 1 . . . . 52 ARG C . 11223 1 572 . 1 1 52 52 ARG CA C 13 54.101 0.300 . 1 . . . . 52 ARG CA . 11223 1 573 . 1 1 52 52 ARG CB C 13 30.315 0.300 . 1 . . . . 52 ARG CB . 11223 1 574 . 1 1 52 52 ARG CD C 13 43.241 0.300 . 1 . . . . 52 ARG CD . 11223 1 575 . 1 1 52 52 ARG CG C 13 26.694 0.300 . 1 . . . . 52 ARG CG . 11223 1 576 . 1 1 53 53 HIS H H 1 8.793 0.030 . 1 . . . . 53 HIS H . 11223 1 577 . 1 1 53 53 HIS HA H 1 4.618 0.030 . 1 . . . . 53 HIS HA . 11223 1 578 . 1 1 53 53 HIS HB2 H 1 2.970 0.030 . 2 . . . . 53 HIS HB2 . 11223 1 579 . 1 1 53 53 HIS HB3 H 1 3.969 0.030 . 2 . . . . 53 HIS HB3 . 11223 1 580 . 1 1 53 53 HIS HD2 H 1 7.175 0.030 . 1 . . . . 53 HIS HD2 . 11223 1 581 . 1 1 53 53 HIS HE1 H 1 7.581 0.030 . 1 . . . . 53 HIS HE1 . 11223 1 582 . 1 1 53 53 HIS C C 13 175.202 0.300 . 1 . . . . 53 HIS C . 11223 1 583 . 1 1 53 53 HIS CA C 13 55.770 0.300 . 1 . . . . 53 HIS CA . 11223 1 584 . 1 1 53 53 HIS CB C 13 32.030 0.300 . 1 . . . . 53 HIS CB . 11223 1 585 . 1 1 53 53 HIS CD2 C 13 118.426 0.300 . 1 . . . . 53 HIS CD2 . 11223 1 586 . 1 1 53 53 HIS CE1 C 13 137.831 0.300 . 1 . . . . 53 HIS CE1 . 11223 1 587 . 1 1 53 53 HIS N N 15 127.977 0.300 . 1 . . . . 53 HIS N . 11223 1 588 . 1 1 54 54 PRO HA H 1 4.347 0.030 . 1 . . . . 54 PRO HA . 11223 1 589 . 1 1 54 54 PRO HB2 H 1 1.901 0.030 . 2 . . . . 54 PRO HB2 . 11223 1 590 . 1 1 54 54 PRO HB3 H 1 2.289 0.030 . 2 . . . . 54 PRO HB3 . 11223 1 591 . 1 1 54 54 PRO HD2 H 1 3.433 0.030 . 2 . . . . 54 PRO HD2 . 11223 1 592 . 1 1 54 54 PRO HD3 H 1 2.387 0.030 . 2 . . . . 54 PRO HD3 . 11223 1 593 . 1 1 54 54 PRO HG2 H 1 1.703 0.030 . 2 . . . . 54 PRO HG2 . 11223 1 594 . 1 1 54 54 PRO HG3 H 1 1.880 0.030 . 2 . . . . 54 PRO HG3 . 11223 1 595 . 1 1 54 54 PRO C C 13 177.066 0.300 . 1 . . . . 54 PRO C . 11223 1 596 . 1 1 54 54 PRO CA C 13 64.574 0.300 . 1 . . . . 54 PRO CA . 11223 1 597 . 1 1 54 54 PRO CB C 13 32.461 0.300 . 1 . . . . 54 PRO CB . 11223 1 598 . 1 1 54 54 PRO CD C 13 50.285 0.300 . 1 . . . . 54 PRO CD . 11223 1 599 . 1 1 54 54 PRO CG C 13 27.477 0.300 . 1 . . . . 54 PRO CG . 11223 1 600 . 1 1 55 55 ARG H H 1 9.905 0.030 . 1 . . . . 55 ARG H . 11223 1 601 . 1 1 55 55 ARG HA H 1 4.757 0.030 . 1 . . . . 55 ARG HA . 11223 1 602 . 1 1 55 55 ARG HB2 H 1 1.950 0.030 . 2 . . . . 55 ARG HB2 . 11223 1 603 . 1 1 55 55 ARG HB3 H 1 1.756 0.030 . 2 . . . . 55 ARG HB3 . 11223 1 604 . 1 1 55 55 ARG HD2 H 1 2.688 0.030 . 2 . . . . 55 ARG HD2 . 11223 1 605 . 1 1 55 55 ARG HD3 H 1 3.021 0.030 . 2 . . . . 55 ARG HD3 . 11223 1 606 . 1 1 55 55 ARG HE H 1 7.508 0.030 . 1 . . . . 55 ARG HE . 11223 1 607 . 1 1 55 55 ARG HG2 H 1 1.490 0.030 . 2 . . . . 55 ARG HG2 . 11223 1 608 . 1 1 55 55 ARG HG3 H 1 1.536 0.030 . 2 . . . . 55 ARG HG3 . 11223 1 609 . 1 1 55 55 ARG C C 13 174.731 0.300 . 1 . . . . 55 ARG C . 11223 1 610 . 1 1 55 55 ARG CA C 13 56.832 0.300 . 1 . . . . 55 ARG CA . 11223 1 611 . 1 1 55 55 ARG CB C 13 36.051 0.300 . 1 . . . . 55 ARG CB . 11223 1 612 . 1 1 55 55 ARG CD C 13 42.436 0.300 . 1 . . . . 55 ARG CD . 11223 1 613 . 1 1 55 55 ARG CG C 13 28.707 0.300 . 1 . . . . 55 ARG CG . 11223 1 614 . 1 1 55 55 ARG N N 15 119.571 0.300 . 1 . . . . 55 ARG N . 11223 1 615 . 1 1 55 55 ARG NE N 15 81.892 0.300 . 1 . . . . 55 ARG NE . 11223 1 616 . 1 1 56 56 ILE H H 1 8.485 0.030 . 1 . . . . 56 ILE H . 11223 1 617 . 1 1 56 56 ILE HA H 1 4.688 0.030 . 1 . . . . 56 ILE HA . 11223 1 618 . 1 1 56 56 ILE HB H 1 0.513 0.030 . 1 . . . . 56 ILE HB . 11223 1 619 . 1 1 56 56 ILE HD11 H 1 0.364 0.030 . 1 . . . . 56 ILE HD1 . 11223 1 620 . 1 1 56 56 ILE HD12 H 1 0.364 0.030 . 1 . . . . 56 ILE HD1 . 11223 1 621 . 1 1 56 56 ILE HD13 H 1 0.364 0.030 . 1 . . . . 56 ILE HD1 . 11223 1 622 . 1 1 56 56 ILE HG12 H 1 1.062 0.030 . 2 . . . . 56 ILE HG12 . 11223 1 623 . 1 1 56 56 ILE HG13 H 1 0.192 0.030 . 2 . . . . 56 ILE HG13 . 11223 1 624 . 1 1 56 56 ILE HG21 H 1 -0.238 0.030 . 1 . . . . 56 ILE HG2 . 11223 1 625 . 1 1 56 56 ILE HG22 H 1 -0.238 0.030 . 1 . . . . 56 ILE HG2 . 11223 1 626 . 1 1 56 56 ILE HG23 H 1 -0.238 0.030 . 1 . . . . 56 ILE HG2 . 11223 1 627 . 1 1 56 56 ILE C C 13 174.176 0.300 . 1 . . . . 56 ILE C . 11223 1 628 . 1 1 56 56 ILE CA C 13 59.936 0.300 . 1 . . . . 56 ILE CA . 11223 1 629 . 1 1 56 56 ILE CB C 13 39.360 0.300 . 1 . . . . 56 ILE CB . 11223 1 630 . 1 1 56 56 ILE CD1 C 13 13.956 0.300 . 1 . . . . 56 ILE CD1 . 11223 1 631 . 1 1 56 56 ILE CG1 C 13 26.910 0.300 . 1 . . . . 56 ILE CG1 . 11223 1 632 . 1 1 56 56 ILE CG2 C 13 17.861 0.300 . 1 . . . . 56 ILE CG2 . 11223 1 633 . 1 1 56 56 ILE N N 15 125.212 0.300 . 1 . . . . 56 ILE N . 11223 1 634 . 1 1 57 57 SER H H 1 9.056 0.030 . 1 . . . . 57 SER H . 11223 1 635 . 1 1 57 57 SER HA H 1 4.658 0.030 . 1 . . . . 57 SER HA . 11223 1 636 . 1 1 57 57 SER HB2 H 1 3.558 0.030 . 2 . . . . 57 SER HB2 . 11223 1 637 . 1 1 57 57 SER HB3 H 1 3.772 0.030 . 2 . . . . 57 SER HB3 . 11223 1 638 . 1 1 57 57 SER C C 13 171.600 0.300 . 1 . . . . 57 SER C . 11223 1 639 . 1 1 57 57 SER CA C 13 56.544 0.300 . 1 . . . . 57 SER CA . 11223 1 640 . 1 1 57 57 SER CB C 13 66.369 0.300 . 1 . . . . 57 SER CB . 11223 1 641 . 1 1 57 57 SER N N 15 119.494 0.300 . 1 . . . . 57 SER N . 11223 1 642 . 1 1 58 58 VAL H H 1 8.695 0.030 . 1 . . . . 58 VAL H . 11223 1 643 . 1 1 58 58 VAL HA H 1 4.700 0.030 . 1 . . . . 58 VAL HA . 11223 1 644 . 1 1 58 58 VAL HB H 1 1.658 0.030 . 1 . . . . 58 VAL HB . 11223 1 645 . 1 1 58 58 VAL HG11 H 1 1.084 0.030 . 1 . . . . 58 VAL HG1 . 11223 1 646 . 1 1 58 58 VAL HG12 H 1 1.084 0.030 . 1 . . . . 58 VAL HG1 . 11223 1 647 . 1 1 58 58 VAL HG13 H 1 1.084 0.030 . 1 . . . . 58 VAL HG1 . 11223 1 648 . 1 1 58 58 VAL HG21 H 1 0.716 0.030 . 1 . . . . 58 VAL HG2 . 11223 1 649 . 1 1 58 58 VAL HG22 H 1 0.716 0.030 . 1 . . . . 58 VAL HG2 . 11223 1 650 . 1 1 58 58 VAL HG23 H 1 0.716 0.030 . 1 . . . . 58 VAL HG2 . 11223 1 651 . 1 1 58 58 VAL C C 13 176.614 0.300 . 1 . . . . 58 VAL C . 11223 1 652 . 1 1 58 58 VAL CA C 13 60.799 0.300 . 1 . . . . 58 VAL CA . 11223 1 653 . 1 1 58 58 VAL CB C 13 32.033 0.300 . 1 . . . . 58 VAL CB . 11223 1 654 . 1 1 58 58 VAL CG1 C 13 21.255 0.300 . 2 . . . . 58 VAL CG1 . 11223 1 655 . 1 1 58 58 VAL CG2 C 13 21.931 0.300 . 2 . . . . 58 VAL CG2 . 11223 1 656 . 1 1 58 58 VAL N N 15 122.393 0.300 . 1 . . . . 58 VAL N . 11223 1 657 . 1 1 59 59 LEU H H 1 9.449 0.030 . 1 . . . . 59 LEU H . 11223 1 658 . 1 1 59 59 LEU HA H 1 4.580 0.030 . 1 . . . . 59 LEU HA . 11223 1 659 . 1 1 59 59 LEU HB2 H 1 2.104 0.030 . 2 . . . . 59 LEU HB2 . 11223 1 660 . 1 1 59 59 LEU HB3 H 1 1.796 0.030 . 2 . . . . 59 LEU HB3 . 11223 1 661 . 1 1 59 59 LEU HD11 H 1 0.896 0.030 . 1 . . . . 59 LEU HD1 . 11223 1 662 . 1 1 59 59 LEU HD12 H 1 0.896 0.030 . 1 . . . . 59 LEU HD1 . 11223 1 663 . 1 1 59 59 LEU HD13 H 1 0.896 0.030 . 1 . . . . 59 LEU HD1 . 11223 1 664 . 1 1 59 59 LEU HD21 H 1 0.774 0.030 . 1 . . . . 59 LEU HD2 . 11223 1 665 . 1 1 59 59 LEU HD22 H 1 0.774 0.030 . 1 . . . . 59 LEU HD2 . 11223 1 666 . 1 1 59 59 LEU HD23 H 1 0.774 0.030 . 1 . . . . 59 LEU HD2 . 11223 1 667 . 1 1 59 59 LEU HG H 1 1.618 0.030 . 1 . . . . 59 LEU HG . 11223 1 668 . 1 1 59 59 LEU C C 13 179.382 0.300 . 1 . . . . 59 LEU C . 11223 1 669 . 1 1 59 59 LEU CA C 13 54.366 0.300 . 1 . . . . 59 LEU CA . 11223 1 670 . 1 1 59 59 LEU CB C 13 41.253 0.300 . 1 . . . . 59 LEU CB . 11223 1 671 . 1 1 59 59 LEU CD1 C 13 25.328 0.300 . 2 . . . . 59 LEU CD1 . 11223 1 672 . 1 1 59 59 LEU CD2 C 13 21.737 0.300 . 2 . . . . 59 LEU CD2 . 11223 1 673 . 1 1 59 59 LEU CG C 13 27.141 0.300 . 1 . . . . 59 LEU CG . 11223 1 674 . 1 1 59 59 LEU N N 15 126.298 0.300 . 1 . . . . 59 LEU N . 11223 1 675 . 1 1 60 60 ASN H H 1 7.956 0.030 . 1 . . . . 60 ASN H . 11223 1 676 . 1 1 60 60 ASN HA H 1 4.092 0.030 . 1 . . . . 60 ASN HA . 11223 1 677 . 1 1 60 60 ASN HB2 H 1 2.816 0.030 . 2 . . . . 60 ASN HB2 . 11223 1 678 . 1 1 60 60 ASN HB3 H 1 2.735 0.030 . 2 . . . . 60 ASN HB3 . 11223 1 679 . 1 1 60 60 ASN HD21 H 1 7.595 0.030 . 2 . . . . 60 ASN HD21 . 11223 1 680 . 1 1 60 60 ASN HD22 H 1 6.900 0.030 . 2 . . . . 60 ASN HD22 . 11223 1 681 . 1 1 60 60 ASN C C 13 175.455 0.300 . 1 . . . . 60 ASN C . 11223 1 682 . 1 1 60 60 ASN CA C 13 56.228 0.300 . 1 . . . . 60 ASN CA . 11223 1 683 . 1 1 60 60 ASN CB C 13 37.986 0.300 . 1 . . . . 60 ASN CB . 11223 1 684 . 1 1 60 60 ASN ND2 N 15 112.381 0.300 . 1 . . . . 60 ASN ND2 . 11223 1 685 . 1 1 61 61 ASP H H 1 7.744 0.030 . 1 . . . . 61 ASP H . 11223 1 686 . 1 1 61 61 ASP HA H 1 4.642 0.030 . 1 . . . . 61 ASP HA . 11223 1 687 . 1 1 61 61 ASP HB2 H 1 3.163 0.030 . 2 . . . . 61 ASP HB2 . 11223 1 688 . 1 1 61 61 ASP HB3 H 1 2.586 0.030 . 2 . . . . 61 ASP HB3 . 11223 1 689 . 1 1 61 61 ASP C C 13 177.566 0.300 . 1 . . . . 61 ASP C . 11223 1 690 . 1 1 61 61 ASP CA C 13 53.009 0.300 . 1 . . . . 61 ASP CA . 11223 1 691 . 1 1 61 61 ASP CB C 13 40.014 0.300 . 1 . . . . 61 ASP CB . 11223 1 692 . 1 1 61 61 ASP N N 15 116.399 0.300 . 1 . . . . 61 ASP N . 11223 1 693 . 1 1 62 62 GLY H H 1 8.136 0.030 . 1 . . . . 62 GLY H . 11223 1 694 . 1 1 62 62 GLY HA2 H 1 3.525 0.030 . 2 . . . . 62 GLY HA2 . 11223 1 695 . 1 1 62 62 GLY HA3 H 1 4.812 0.030 . 2 . . . . 62 GLY HA3 . 11223 1 696 . 1 1 62 62 GLY C C 13 172.748 0.300 . 1 . . . . 62 GLY C . 11223 1 697 . 1 1 62 62 GLY CA C 13 45.349 0.300 . 1 . . . . 62 GLY CA . 11223 1 698 . 1 1 62 62 GLY N N 15 109.761 0.300 . 1 . . . . 62 GLY N . 11223 1 699 . 1 1 63 63 THR H H 1 7.675 0.030 . 1 . . . . 63 THR H . 11223 1 700 . 1 1 63 63 THR HA H 1 4.275 0.030 . 1 . . . . 63 THR HA . 11223 1 701 . 1 1 63 63 THR HB H 1 4.000 0.030 . 1 . . . . 63 THR HB . 11223 1 702 . 1 1 63 63 THR HG21 H 1 0.978 0.030 . 1 . . . . 63 THR HG2 . 11223 1 703 . 1 1 63 63 THR HG22 H 1 0.978 0.030 . 1 . . . . 63 THR HG2 . 11223 1 704 . 1 1 63 63 THR HG23 H 1 0.978 0.030 . 1 . . . . 63 THR HG2 . 11223 1 705 . 1 1 63 63 THR C C 13 172.304 0.300 . 1 . . . . 63 THR C . 11223 1 706 . 1 1 63 63 THR CA C 13 64.141 0.300 . 1 . . . . 63 THR CA . 11223 1 707 . 1 1 63 63 THR CB C 13 69.550 0.300 . 1 . . . . 63 THR CB . 11223 1 708 . 1 1 63 63 THR CG2 C 13 21.944 0.300 . 1 . . . . 63 THR CG2 . 11223 1 709 . 1 1 63 63 THR N N 15 117.394 0.300 . 1 . . . . 63 THR N . 11223 1 710 . 1 1 64 64 LEU H H 1 8.920 0.030 . 1 . . . . 64 LEU H . 11223 1 711 . 1 1 64 64 LEU HA H 1 4.276 0.030 . 1 . . . . 64 LEU HA . 11223 1 712 . 1 1 64 64 LEU HB2 H 1 0.705 0.030 . 2 . . . . 64 LEU HB2 . 11223 1 713 . 1 1 64 64 LEU HB3 H 1 -1.208 0.030 . 2 . . . . 64 LEU HB3 . 11223 1 714 . 1 1 64 64 LEU HD11 H 1 -0.088 0.030 . 1 . . . . 64 LEU HD1 . 11223 1 715 . 1 1 64 64 LEU HD12 H 1 -0.088 0.030 . 1 . . . . 64 LEU HD1 . 11223 1 716 . 1 1 64 64 LEU HD13 H 1 -0.088 0.030 . 1 . . . . 64 LEU HD1 . 11223 1 717 . 1 1 64 64 LEU HD21 H 1 -0.124 0.030 . 1 . . . . 64 LEU HD2 . 11223 1 718 . 1 1 64 64 LEU HD22 H 1 -0.124 0.030 . 1 . . . . 64 LEU HD2 . 11223 1 719 . 1 1 64 64 LEU HD23 H 1 -0.124 0.030 . 1 . . . . 64 LEU HD2 . 11223 1 720 . 1 1 64 64 LEU HG H 1 0.143 0.030 . 1 . . . . 64 LEU HG . 11223 1 721 . 1 1 64 64 LEU C C 13 173.749 0.300 . 1 . . . . 64 LEU C . 11223 1 722 . 1 1 64 64 LEU CA C 13 53.462 0.300 . 1 . . . . 64 LEU CA . 11223 1 723 . 1 1 64 64 LEU CB C 13 41.181 0.300 . 1 . . . . 64 LEU CB . 11223 1 724 . 1 1 64 64 LEU CD1 C 13 24.151 0.300 . 2 . . . . 64 LEU CD1 . 11223 1 725 . 1 1 64 64 LEU CD2 C 13 27.651 0.300 . 2 . . . . 64 LEU CD2 . 11223 1 726 . 1 1 64 64 LEU CG C 13 24.963 0.300 . 1 . . . . 64 LEU CG . 11223 1 727 . 1 1 64 64 LEU N N 15 129.160 0.300 . 1 . . . . 64 LEU N . 11223 1 728 . 1 1 65 65 ASN H H 1 9.229 0.030 . 1 . . . . 65 ASN H . 11223 1 729 . 1 1 65 65 ASN HA H 1 5.117 0.030 . 1 . . . . 65 ASN HA . 11223 1 730 . 1 1 65 65 ASN HB2 H 1 2.590 0.030 . 2 . . . . 65 ASN HB2 . 11223 1 731 . 1 1 65 65 ASN HB3 H 1 2.141 0.030 . 2 . . . . 65 ASN HB3 . 11223 1 732 . 1 1 65 65 ASN HD21 H 1 8.223 0.030 . 2 . . . . 65 ASN HD21 . 11223 1 733 . 1 1 65 65 ASN HD22 H 1 6.506 0.030 . 2 . . . . 65 ASN HD22 . 11223 1 734 . 1 1 65 65 ASN C C 13 172.669 0.300 . 1 . . . . 65 ASN C . 11223 1 735 . 1 1 65 65 ASN CA C 13 52.563 0.300 . 1 . . . . 65 ASN CA . 11223 1 736 . 1 1 65 65 ASN CB C 13 42.655 0.300 . 1 . . . . 65 ASN CB . 11223 1 737 . 1 1 65 65 ASN N N 15 127.149 0.300 . 1 . . . . 65 ASN N . 11223 1 738 . 1 1 65 65 ASN ND2 N 15 113.964 0.300 . 1 . . . . 65 ASN ND2 . 11223 1 739 . 1 1 66 66 PHE H H 1 9.166 0.030 . 1 . . . . 66 PHE H . 11223 1 740 . 1 1 66 66 PHE HA H 1 4.679 0.030 . 1 . . . . 66 PHE HA . 11223 1 741 . 1 1 66 66 PHE HB2 H 1 2.866 0.030 . 2 . . . . 66 PHE HB2 . 11223 1 742 . 1 1 66 66 PHE HB3 H 1 2.168 0.030 . 2 . . . . 66 PHE HB3 . 11223 1 743 . 1 1 66 66 PHE HD1 H 1 6.743 0.030 . 1 . . . . 66 PHE HD1 . 11223 1 744 . 1 1 66 66 PHE HD2 H 1 6.743 0.030 . 1 . . . . 66 PHE HD2 . 11223 1 745 . 1 1 66 66 PHE HE1 H 1 6.587 0.030 . 1 . . . . 66 PHE HE1 . 11223 1 746 . 1 1 66 66 PHE HE2 H 1 6.587 0.030 . 1 . . . . 66 PHE HE2 . 11223 1 747 . 1 1 66 66 PHE HZ H 1 6.218 0.030 . 1 . . . . 66 PHE HZ . 11223 1 748 . 1 1 66 66 PHE C C 13 175.876 0.300 . 1 . . . . 66 PHE C . 11223 1 749 . 1 1 66 66 PHE CA C 13 54.992 0.300 . 1 . . . . 66 PHE CA . 11223 1 750 . 1 1 66 66 PHE CB C 13 40.177 0.300 . 1 . . . . 66 PHE CB . 11223 1 751 . 1 1 66 66 PHE CD1 C 13 132.138 0.300 . 1 . . . . 66 PHE CD1 . 11223 1 752 . 1 1 66 66 PHE CD2 C 13 132.138 0.300 . 1 . . . . 66 PHE CD2 . 11223 1 753 . 1 1 66 66 PHE CE1 C 13 129.851 0.300 . 1 . . . . 66 PHE CE1 . 11223 1 754 . 1 1 66 66 PHE CE2 C 13 129.851 0.300 . 1 . . . . 66 PHE CE2 . 11223 1 755 . 1 1 66 66 PHE CZ C 13 129.837 0.300 . 1 . . . . 66 PHE CZ . 11223 1 756 . 1 1 66 66 PHE N N 15 124.722 0.300 . 1 . . . . 66 PHE N . 11223 1 757 . 1 1 67 67 SER H H 1 8.951 0.030 . 1 . . . . 67 SER H . 11223 1 758 . 1 1 67 67 SER HA H 1 4.097 0.030 . 1 . . . . 67 SER HA . 11223 1 759 . 1 1 67 67 SER HB2 H 1 4.056 0.030 . 2 . . . . 67 SER HB2 . 11223 1 760 . 1 1 67 67 SER HB3 H 1 4.017 0.030 . 2 . . . . 67 SER HB3 . 11223 1 761 . 1 1 67 67 SER C C 13 175.496 0.300 . 1 . . . . 67 SER C . 11223 1 762 . 1 1 67 67 SER CA C 13 61.506 0.300 . 1 . . . . 67 SER CA . 11223 1 763 . 1 1 67 67 SER CB C 13 62.315 0.300 . 1 . . . . 67 SER CB . 11223 1 764 . 1 1 67 67 SER N N 15 120.418 0.300 . 1 . . . . 67 SER N . 11223 1 765 . 1 1 68 68 HIS H H 1 6.741 0.030 . 1 . . . . 68 HIS H . 11223 1 766 . 1 1 68 68 HIS HA H 1 4.279 0.030 . 1 . . . . 68 HIS HA . 11223 1 767 . 1 1 68 68 HIS HB2 H 1 2.657 0.030 . 2 . . . . 68 HIS HB2 . 11223 1 768 . 1 1 68 68 HIS HB3 H 1 3.163 0.030 . 2 . . . . 68 HIS HB3 . 11223 1 769 . 1 1 68 68 HIS HD2 H 1 6.798 0.030 . 1 . . . . 68 HIS HD2 . 11223 1 770 . 1 1 68 68 HIS HE1 H 1 7.845 0.030 . 1 . . . . 68 HIS HE1 . 11223 1 771 . 1 1 68 68 HIS C C 13 174.128 0.300 . 1 . . . . 68 HIS C . 11223 1 772 . 1 1 68 68 HIS CA C 13 55.635 0.300 . 1 . . . . 68 HIS CA . 11223 1 773 . 1 1 68 68 HIS CB C 13 31.782 0.300 . 1 . . . . 68 HIS CB . 11223 1 774 . 1 1 68 68 HIS CD2 C 13 121.589 0.300 . 1 . . . . 68 HIS CD2 . 11223 1 775 . 1 1 68 68 HIS CE1 C 13 137.749 0.300 . 1 . . . . 68 HIS CE1 . 11223 1 776 . 1 1 68 68 HIS N N 15 112.834 0.300 . 1 . . . . 68 HIS N . 11223 1 777 . 1 1 69 69 VAL H H 1 8.031 0.030 . 1 . . . . 69 VAL H . 11223 1 778 . 1 1 69 69 VAL HA H 1 4.354 0.030 . 1 . . . . 69 VAL HA . 11223 1 779 . 1 1 69 69 VAL HB H 1 1.865 0.030 . 1 . . . . 69 VAL HB . 11223 1 780 . 1 1 69 69 VAL HG11 H 1 0.431 0.030 . 1 . . . . 69 VAL HG1 . 11223 1 781 . 1 1 69 69 VAL HG12 H 1 0.431 0.030 . 1 . . . . 69 VAL HG1 . 11223 1 782 . 1 1 69 69 VAL HG13 H 1 0.431 0.030 . 1 . . . . 69 VAL HG1 . 11223 1 783 . 1 1 69 69 VAL HG21 H 1 0.754 0.030 . 1 . . . . 69 VAL HG2 . 11223 1 784 . 1 1 69 69 VAL HG22 H 1 0.754 0.030 . 1 . . . . 69 VAL HG2 . 11223 1 785 . 1 1 69 69 VAL HG23 H 1 0.754 0.030 . 1 . . . . 69 VAL HG2 . 11223 1 786 . 1 1 69 69 VAL C C 13 175.027 0.300 . 1 . . . . 69 VAL C . 11223 1 787 . 1 1 69 69 VAL CA C 13 60.425 0.300 . 1 . . . . 69 VAL CA . 11223 1 788 . 1 1 69 69 VAL CB C 13 33.748 0.300 . 1 . . . . 69 VAL CB . 11223 1 789 . 1 1 69 69 VAL CG1 C 13 22.687 0.300 . 2 . . . . 69 VAL CG1 . 11223 1 790 . 1 1 69 69 VAL CG2 C 13 21.276 0.300 . 2 . . . . 69 VAL CG2 . 11223 1 791 . 1 1 69 69 VAL N N 15 117.079 0.300 . 1 . . . . 69 VAL N . 11223 1 792 . 1 1 70 70 LEU H H 1 9.055 0.030 . 1 . . . . 70 LEU H . 11223 1 793 . 1 1 70 70 LEU HA H 1 5.021 0.030 . 1 . . . . 70 LEU HA . 11223 1 794 . 1 1 70 70 LEU HB2 H 1 1.661 0.030 . 2 . . . . 70 LEU HB2 . 11223 1 795 . 1 1 70 70 LEU HB3 H 1 1.480 0.030 . 2 . . . . 70 LEU HB3 . 11223 1 796 . 1 1 70 70 LEU HD11 H 1 0.864 0.030 . 1 . . . . 70 LEU HD1 . 11223 1 797 . 1 1 70 70 LEU HD12 H 1 0.864 0.030 . 1 . . . . 70 LEU HD1 . 11223 1 798 . 1 1 70 70 LEU HD13 H 1 0.864 0.030 . 1 . . . . 70 LEU HD1 . 11223 1 799 . 1 1 70 70 LEU HD21 H 1 0.984 0.030 . 1 . . . . 70 LEU HD2 . 11223 1 800 . 1 1 70 70 LEU HD22 H 1 0.984 0.030 . 1 . . . . 70 LEU HD2 . 11223 1 801 . 1 1 70 70 LEU HD23 H 1 0.984 0.030 . 1 . . . . 70 LEU HD2 . 11223 1 802 . 1 1 70 70 LEU HG H 1 1.470 0.030 . 1 . . . . 70 LEU HG . 11223 1 803 . 1 1 70 70 LEU C C 13 178.763 0.300 . 1 . . . . 70 LEU C . 11223 1 804 . 1 1 70 70 LEU CA C 13 52.682 0.300 . 1 . . . . 70 LEU CA . 11223 1 805 . 1 1 70 70 LEU CB C 13 45.706 0.300 . 1 . . . . 70 LEU CB . 11223 1 806 . 1 1 70 70 LEU CD1 C 13 25.348 0.300 . 2 . . . . 70 LEU CD1 . 11223 1 807 . 1 1 70 70 LEU CD2 C 13 23.175 0.300 . 2 . . . . 70 LEU CD2 . 11223 1 808 . 1 1 70 70 LEU CG C 13 27.449 0.300 . 1 . . . . 70 LEU CG . 11223 1 809 . 1 1 70 70 LEU N N 15 124.444 0.300 . 1 . . . . 70 LEU N . 11223 1 810 . 1 1 71 71 LEU H H 1 9.324 0.030 . 1 . . . . 71 LEU H . 11223 1 811 . 1 1 71 71 LEU HA H 1 3.751 0.030 . 1 . . . . 71 LEU HA . 11223 1 812 . 1 1 71 71 LEU HB2 H 1 1.572 0.030 . 2 . . . . 71 LEU HB2 . 11223 1 813 . 1 1 71 71 LEU HB3 H 1 1.714 0.030 . 2 . . . . 71 LEU HB3 . 11223 1 814 . 1 1 71 71 LEU HD11 H 1 0.900 0.030 . 1 . . . . 71 LEU HD1 . 11223 1 815 . 1 1 71 71 LEU HD12 H 1 0.900 0.030 . 1 . . . . 71 LEU HD1 . 11223 1 816 . 1 1 71 71 LEU HD13 H 1 0.900 0.030 . 1 . . . . 71 LEU HD1 . 11223 1 817 . 1 1 71 71 LEU HD21 H 1 0.779 0.030 . 1 . . . . 71 LEU HD2 . 11223 1 818 . 1 1 71 71 LEU HD22 H 1 0.779 0.030 . 1 . . . . 71 LEU HD2 . 11223 1 819 . 1 1 71 71 LEU HD23 H 1 0.779 0.030 . 1 . . . . 71 LEU HD2 . 11223 1 820 . 1 1 71 71 LEU HG H 1 1.648 0.030 . 1 . . . . 71 LEU HG . 11223 1 821 . 1 1 71 71 LEU C C 13 179.443 0.300 . 1 . . . . 71 LEU C . 11223 1 822 . 1 1 71 71 LEU CA C 13 58.729 0.300 . 1 . . . . 71 LEU CA . 11223 1 823 . 1 1 71 71 LEU CB C 13 41.836 0.300 . 1 . . . . 71 LEU CB . 11223 1 824 . 1 1 71 71 LEU CD1 C 13 25.219 0.300 . 2 . . . . 71 LEU CD1 . 11223 1 825 . 1 1 71 71 LEU CD2 C 13 23.799 0.300 . 2 . . . . 71 LEU CD2 . 11223 1 826 . 1 1 71 71 LEU CG C 13 27.285 0.300 . 1 . . . . 71 LEU CG . 11223 1 827 . 1 1 71 71 LEU N N 15 123.480 0.300 . 1 . . . . 71 LEU N . 11223 1 828 . 1 1 72 72 SER H H 1 7.710 0.030 . 1 . . . . 72 SER H . 11223 1 829 . 1 1 72 72 SER HA H 1 4.280 0.030 . 1 . . . . 72 SER HA . 11223 1 830 . 1 1 72 72 SER HB2 H 1 3.812 0.030 . 2 . . . . 72 SER HB2 . 11223 1 831 . 1 1 72 72 SER HB3 H 1 4.195 0.030 . 2 . . . . 72 SER HB3 . 11223 1 832 . 1 1 72 72 SER C C 13 175.048 0.300 . 1 . . . . 72 SER C . 11223 1 833 . 1 1 72 72 SER CA C 13 59.189 0.300 . 1 . . . . 72 SER CA . 11223 1 834 . 1 1 72 72 SER CB C 13 62.562 0.300 . 1 . . . . 72 SER CB . 11223 1 835 . 1 1 72 72 SER N N 15 108.423 0.300 . 1 . . . . 72 SER N . 11223 1 836 . 1 1 73 73 ASP H H 1 8.241 0.030 . 1 . . . . 73 ASP H . 11223 1 837 . 1 1 73 73 ASP HA H 1 4.713 0.030 . 1 . . . . 73 ASP HA . 11223 1 838 . 1 1 73 73 ASP HB2 H 1 2.863 0.030 . 2 . . . . 73 ASP HB2 . 11223 1 839 . 1 1 73 73 ASP HB3 H 1 2.749 0.030 . 2 . . . . 73 ASP HB3 . 11223 1 840 . 1 1 73 73 ASP C C 13 176.634 0.300 . 1 . . . . 73 ASP C . 11223 1 841 . 1 1 73 73 ASP CA C 13 55.423 0.300 . 1 . . . . 73 ASP CA . 11223 1 842 . 1 1 73 73 ASP CB C 13 41.200 0.300 . 1 . . . . 73 ASP CB . 11223 1 843 . 1 1 73 73 ASP N N 15 120.891 0.300 . 1 . . . . 73 ASP N . 11223 1 844 . 1 1 74 74 THR H H 1 7.415 0.030 . 1 . . . . 74 THR H . 11223 1 845 . 1 1 74 74 THR HA H 1 4.376 0.030 . 1 . . . . 74 THR HA . 11223 1 846 . 1 1 74 74 THR HB H 1 4.158 0.030 . 1 . . . . 74 THR HB . 11223 1 847 . 1 1 74 74 THR HG21 H 1 1.562 0.030 . 1 . . . . 74 THR HG2 . 11223 1 848 . 1 1 74 74 THR HG22 H 1 1.562 0.030 . 1 . . . . 74 THR HG2 . 11223 1 849 . 1 1 74 74 THR HG23 H 1 1.562 0.030 . 1 . . . . 74 THR HG2 . 11223 1 850 . 1 1 74 74 THR C C 13 174.191 0.300 . 1 . . . . 74 THR C . 11223 1 851 . 1 1 74 74 THR CA C 13 64.177 0.300 . 1 . . . . 74 THR CA . 11223 1 852 . 1 1 74 74 THR CB C 13 70.678 0.300 . 1 . . . . 74 THR CB . 11223 1 853 . 1 1 74 74 THR CG2 C 13 22.184 0.300 . 1 . . . . 74 THR CG2 . 11223 1 854 . 1 1 74 74 THR N N 15 118.740 0.300 . 1 . . . . 74 THR N . 11223 1 855 . 1 1 75 75 GLY H H 1 8.855 0.030 . 1 . . . . 75 GLY H . 11223 1 856 . 1 1 75 75 GLY HA2 H 1 4.338 0.030 . 2 . . . . 75 GLY HA2 . 11223 1 857 . 1 1 75 75 GLY HA3 H 1 3.680 0.030 . 2 . . . . 75 GLY HA3 . 11223 1 858 . 1 1 75 75 GLY C C 13 170.301 0.300 . 1 . . . . 75 GLY C . 11223 1 859 . 1 1 75 75 GLY CA C 13 44.413 0.300 . 1 . . . . 75 GLY CA . 11223 1 860 . 1 1 75 75 GLY N N 15 114.456 0.300 . 1 . . . . 75 GLY N . 11223 1 861 . 1 1 76 76 VAL H H 1 8.422 0.030 . 1 . . . . 76 VAL H . 11223 1 862 . 1 1 76 76 VAL HA H 1 4.566 0.030 . 1 . . . . 76 VAL HA . 11223 1 863 . 1 1 76 76 VAL HB H 1 1.932 0.030 . 1 . . . . 76 VAL HB . 11223 1 864 . 1 1 76 76 VAL HG11 H 1 1.076 0.030 . 1 . . . . 76 VAL HG1 . 11223 1 865 . 1 1 76 76 VAL HG12 H 1 1.076 0.030 . 1 . . . . 76 VAL HG1 . 11223 1 866 . 1 1 76 76 VAL HG13 H 1 1.076 0.030 . 1 . . . . 76 VAL HG1 . 11223 1 867 . 1 1 76 76 VAL HG21 H 1 0.885 0.030 . 1 . . . . 76 VAL HG2 . 11223 1 868 . 1 1 76 76 VAL HG22 H 1 0.885 0.030 . 1 . . . . 76 VAL HG2 . 11223 1 869 . 1 1 76 76 VAL HG23 H 1 0.885 0.030 . 1 . . . . 76 VAL HG2 . 11223 1 870 . 1 1 76 76 VAL C C 13 175.395 0.300 . 1 . . . . 76 VAL C . 11223 1 871 . 1 1 76 76 VAL CA C 13 62.552 0.300 . 1 . . . . 76 VAL CA . 11223 1 872 . 1 1 76 76 VAL CB C 13 32.826 0.300 . 1 . . . . 76 VAL CB . 11223 1 873 . 1 1 76 76 VAL CG1 C 13 22.673 0.300 . 2 . . . . 76 VAL CG1 . 11223 1 874 . 1 1 76 76 VAL CG2 C 13 21.131 0.300 . 2 . . . . 76 VAL CG2 . 11223 1 875 . 1 1 76 76 VAL N N 15 119.967 0.300 . 1 . . . . 76 VAL N . 11223 1 876 . 1 1 77 77 TYR H H 1 9.468 0.030 . 1 . . . . 77 TYR H . 11223 1 877 . 1 1 77 77 TYR HA H 1 4.821 0.030 . 1 . . . . 77 TYR HA . 11223 1 878 . 1 1 77 77 TYR HB2 H 1 3.047 0.030 . 2 . . . . 77 TYR HB2 . 11223 1 879 . 1 1 77 77 TYR HB3 H 1 2.971 0.030 . 2 . . . . 77 TYR HB3 . 11223 1 880 . 1 1 77 77 TYR HD1 H 1 7.106 0.030 . 1 . . . . 77 TYR HD1 . 11223 1 881 . 1 1 77 77 TYR HD2 H 1 7.106 0.030 . 1 . . . . 77 TYR HD2 . 11223 1 882 . 1 1 77 77 TYR HE1 H 1 6.820 0.030 . 1 . . . . 77 TYR HE1 . 11223 1 883 . 1 1 77 77 TYR HE2 H 1 6.820 0.030 . 1 . . . . 77 TYR HE2 . 11223 1 884 . 1 1 77 77 TYR C C 13 175.746 0.300 . 1 . . . . 77 TYR C . 11223 1 885 . 1 1 77 77 TYR CA C 13 57.809 0.300 . 1 . . . . 77 TYR CA . 11223 1 886 . 1 1 77 77 TYR CB C 13 42.160 0.300 . 1 . . . . 77 TYR CB . 11223 1 887 . 1 1 77 77 TYR CD1 C 13 132.756 0.300 . 1 . . . . 77 TYR CD1 . 11223 1 888 . 1 1 77 77 TYR CD2 C 13 132.756 0.300 . 1 . . . . 77 TYR CD2 . 11223 1 889 . 1 1 77 77 TYR CE1 C 13 118.547 0.300 . 1 . . . . 77 TYR CE1 . 11223 1 890 . 1 1 77 77 TYR CE2 C 13 118.547 0.300 . 1 . . . . 77 TYR CE2 . 11223 1 891 . 1 1 77 77 TYR N N 15 128.800 0.300 . 1 . . . . 77 TYR N . 11223 1 892 . 1 1 78 78 THR H H 1 8.622 0.030 . 1 . . . . 78 THR H . 11223 1 893 . 1 1 78 78 THR HA H 1 5.023 0.030 . 1 . . . . 78 THR HA . 11223 1 894 . 1 1 78 78 THR HB H 1 4.008 0.030 . 1 . . . . 78 THR HB . 11223 1 895 . 1 1 78 78 THR HG21 H 1 0.962 0.030 . 1 . . . . 78 THR HG2 . 11223 1 896 . 1 1 78 78 THR HG22 H 1 0.962 0.030 . 1 . . . . 78 THR HG2 . 11223 1 897 . 1 1 78 78 THR HG23 H 1 0.962 0.030 . 1 . . . . 78 THR HG2 . 11223 1 898 . 1 1 78 78 THR C C 13 172.131 0.300 . 1 . . . . 78 THR C . 11223 1 899 . 1 1 78 78 THR CA C 13 61.718 0.300 . 1 . . . . 78 THR CA . 11223 1 900 . 1 1 78 78 THR CB C 13 71.566 0.300 . 1 . . . . 78 THR CB . 11223 1 901 . 1 1 78 78 THR CG2 C 13 20.831 0.300 . 1 . . . . 78 THR CG2 . 11223 1 902 . 1 1 78 78 THR N N 15 116.840 0.300 . 1 . . . . 78 THR N . 11223 1 903 . 1 1 79 79 CYS H H 1 9.198 0.030 . 1 . . . . 79 CYS H . 11223 1 904 . 1 1 79 79 CYS HA H 1 3.387 0.030 . 1 . . . . 79 CYS HA . 11223 1 905 . 1 1 79 79 CYS HB2 H 1 2.210 0.030 . 2 . . . . 79 CYS HB2 . 11223 1 906 . 1 1 79 79 CYS HB3 H 1 1.550 0.030 . 2 . . . . 79 CYS HB3 . 11223 1 907 . 1 1 79 79 CYS C C 13 172.236 0.300 . 1 . . . . 79 CYS C . 11223 1 908 . 1 1 79 79 CYS CA C 13 53.848 0.300 . 1 . . . . 79 CYS CA . 11223 1 909 . 1 1 79 79 CYS CB C 13 41.606 0.300 . 1 . . . . 79 CYS CB . 11223 1 910 . 1 1 79 79 CYS N N 15 129.550 0.300 . 1 . . . . 79 CYS N . 11223 1 911 . 1 1 80 80 MET H H 1 9.014 0.030 . 1 . . . . 80 MET H . 11223 1 912 . 1 1 80 80 MET HA H 1 4.890 0.030 . 1 . . . . 80 MET HA . 11223 1 913 . 1 1 80 80 MET HB2 H 1 1.925 0.030 . 2 . . . . 80 MET HB2 . 11223 1 914 . 1 1 80 80 MET HB3 H 1 1.835 0.030 . 2 . . . . 80 MET HB3 . 11223 1 915 . 1 1 80 80 MET HE1 H 1 1.942 0.030 . 1 . . . . 80 MET HE . 11223 1 916 . 1 1 80 80 MET HE2 H 1 1.942 0.030 . 1 . . . . 80 MET HE . 11223 1 917 . 1 1 80 80 MET HE3 H 1 1.942 0.030 . 1 . . . . 80 MET HE . 11223 1 918 . 1 1 80 80 MET HG2 H 1 2.230 0.030 . 2 . . . . 80 MET HG2 . 11223 1 919 . 1 1 80 80 MET HG3 H 1 2.288 0.030 . 2 . . . . 80 MET HG3 . 11223 1 920 . 1 1 80 80 MET C C 13 175.016 0.300 . 1 . . . . 80 MET C . 11223 1 921 . 1 1 80 80 MET CA C 13 54.877 0.300 . 1 . . . . 80 MET CA . 11223 1 922 . 1 1 80 80 MET CB C 13 33.832 0.300 . 1 . . . . 80 MET CB . 11223 1 923 . 1 1 80 80 MET CE C 13 17.239 0.300 . 1 . . . . 80 MET CE . 11223 1 924 . 1 1 80 80 MET CG C 13 31.170 0.300 . 1 . . . . 80 MET CG . 11223 1 925 . 1 1 80 80 MET N N 15 126.452 0.300 . 1 . . . . 80 MET N . 11223 1 926 . 1 1 81 81 VAL H H 1 8.921 0.030 . 1 . . . . 81 VAL H . 11223 1 927 . 1 1 81 81 VAL HA H 1 4.924 0.030 . 1 . . . . 81 VAL HA . 11223 1 928 . 1 1 81 81 VAL HB H 1 1.896 0.030 . 1 . . . . 81 VAL HB . 11223 1 929 . 1 1 81 81 VAL HG11 H 1 0.817 0.030 . 1 . . . . 81 VAL HG1 . 11223 1 930 . 1 1 81 81 VAL HG12 H 1 0.817 0.030 . 1 . . . . 81 VAL HG1 . 11223 1 931 . 1 1 81 81 VAL HG13 H 1 0.817 0.030 . 1 . . . . 81 VAL HG1 . 11223 1 932 . 1 1 81 81 VAL HG21 H 1 0.927 0.030 . 1 . . . . 81 VAL HG2 . 11223 1 933 . 1 1 81 81 VAL HG22 H 1 0.927 0.030 . 1 . . . . 81 VAL HG2 . 11223 1 934 . 1 1 81 81 VAL HG23 H 1 0.927 0.030 . 1 . . . . 81 VAL HG2 . 11223 1 935 . 1 1 81 81 VAL C C 13 176.262 0.300 . 1 . . . . 81 VAL C . 11223 1 936 . 1 1 81 81 VAL CA C 13 61.345 0.300 . 1 . . . . 81 VAL CA . 11223 1 937 . 1 1 81 81 VAL CB C 13 34.312 0.300 . 1 . . . . 81 VAL CB . 11223 1 938 . 1 1 81 81 VAL CG1 C 13 22.742 0.300 . 2 . . . . 81 VAL CG1 . 11223 1 939 . 1 1 81 81 VAL CG2 C 13 21.857 0.300 . 2 . . . . 81 VAL CG2 . 11223 1 940 . 1 1 81 81 VAL N N 15 125.887 0.300 . 1 . . . . 81 VAL N . 11223 1 941 . 1 1 82 82 THR H H 1 8.804 0.030 . 1 . . . . 82 THR H . 11223 1 942 . 1 1 82 82 THR HA H 1 4.963 0.030 . 1 . . . . 82 THR HA . 11223 1 943 . 1 1 82 82 THR HB H 1 3.989 0.030 . 1 . . . . 82 THR HB . 11223 1 944 . 1 1 82 82 THR HG21 H 1 1.168 0.030 . 1 . . . . 82 THR HG2 . 11223 1 945 . 1 1 82 82 THR HG22 H 1 1.168 0.030 . 1 . . . . 82 THR HG2 . 11223 1 946 . 1 1 82 82 THR HG23 H 1 1.168 0.030 . 1 . . . . 82 THR HG2 . 11223 1 947 . 1 1 82 82 THR C C 13 173.077 0.300 . 1 . . . . 82 THR C . 11223 1 948 . 1 1 82 82 THR CA C 13 61.287 0.300 . 1 . . . . 82 THR CA . 11223 1 949 . 1 1 82 82 THR CB C 13 71.135 0.300 . 1 . . . . 82 THR CB . 11223 1 950 . 1 1 82 82 THR CG2 C 13 21.388 0.300 . 1 . . . . 82 THR CG2 . 11223 1 951 . 1 1 82 82 THR N N 15 122.127 0.300 . 1 . . . . 82 THR N . 11223 1 952 . 1 1 83 83 ASN H H 1 8.696 0.030 . 1 . . . . 83 ASN H . 11223 1 953 . 1 1 83 83 ASN HA H 1 4.953 0.030 . 1 . . . . 83 ASN HA . 11223 1 954 . 1 1 83 83 ASN HB2 H 1 2.752 0.030 . 2 . . . . 83 ASN HB2 . 11223 1 955 . 1 1 83 83 ASN HB3 H 1 2.650 0.030 . 2 . . . . 83 ASN HB3 . 11223 1 956 . 1 1 83 83 ASN HD21 H 1 7.533 0.030 . 2 . . . . 83 ASN HD21 . 11223 1 957 . 1 1 83 83 ASN HD22 H 1 6.479 0.030 . 2 . . . . 83 ASN HD22 . 11223 1 958 . 1 1 83 83 ASN C C 13 175.008 0.300 . 1 . . . . 83 ASN C . 11223 1 959 . 1 1 83 83 ASN CA C 13 52.335 0.300 . 1 . . . . 83 ASN CA . 11223 1 960 . 1 1 83 83 ASN CB C 13 41.079 0.300 . 1 . . . . 83 ASN CB . 11223 1 961 . 1 1 83 83 ASN N N 15 124.199 0.300 . 1 . . . . 83 ASN N . 11223 1 962 . 1 1 83 83 ASN ND2 N 15 112.573 0.300 . 1 . . . . 83 ASN ND2 . 11223 1 963 . 1 1 84 84 VAL H H 1 8.199 0.030 . 1 . . . . 84 VAL H . 11223 1 964 . 1 1 84 84 VAL HA H 1 3.949 0.030 . 1 . . . . 84 VAL HA . 11223 1 965 . 1 1 84 84 VAL HB H 1 2.154 0.030 . 1 . . . . 84 VAL HB . 11223 1 966 . 1 1 84 84 VAL HG11 H 1 0.993 0.030 . 1 . . . . 84 VAL HG1 . 11223 1 967 . 1 1 84 84 VAL HG12 H 1 0.993 0.030 . 1 . . . . 84 VAL HG1 . 11223 1 968 . 1 1 84 84 VAL HG13 H 1 0.993 0.030 . 1 . . . . 84 VAL HG1 . 11223 1 969 . 1 1 84 84 VAL HG21 H 1 0.983 0.030 . 1 . . . . 84 VAL HG2 . 11223 1 970 . 1 1 84 84 VAL HG22 H 1 0.983 0.030 . 1 . . . . 84 VAL HG2 . 11223 1 971 . 1 1 84 84 VAL HG23 H 1 0.983 0.030 . 1 . . . . 84 VAL HG2 . 11223 1 972 . 1 1 84 84 VAL C C 13 176.054 0.300 . 1 . . . . 84 VAL C . 11223 1 973 . 1 1 84 84 VAL CA C 13 64.937 0.300 . 1 . . . . 84 VAL CA . 11223 1 974 . 1 1 84 84 VAL CB C 13 31.663 0.300 . 1 . . . . 84 VAL CB . 11223 1 975 . 1 1 84 84 VAL CG1 C 13 20.600 0.300 . 2 . . . . 84 VAL CG1 . 11223 1 976 . 1 1 84 84 VAL CG2 C 13 20.540 0.300 . 2 . . . . 84 VAL CG2 . 11223 1 977 . 1 1 84 84 VAL N N 15 120.639 0.300 . 1 . . . . 84 VAL N . 11223 1 978 . 1 1 85 85 ALA H H 1 8.473 0.030 . 1 . . . . 85 ALA H . 11223 1 979 . 1 1 85 85 ALA HA H 1 4.436 0.030 . 1 . . . . 85 ALA HA . 11223 1 980 . 1 1 85 85 ALA HB1 H 1 1.405 0.030 . 1 . . . . 85 ALA HB . 11223 1 981 . 1 1 85 85 ALA HB2 H 1 1.405 0.030 . 1 . . . . 85 ALA HB . 11223 1 982 . 1 1 85 85 ALA HB3 H 1 1.405 0.030 . 1 . . . . 85 ALA HB . 11223 1 983 . 1 1 85 85 ALA C C 13 177.266 0.300 . 1 . . . . 85 ALA C . 11223 1 984 . 1 1 85 85 ALA CA C 13 52.124 0.300 . 1 . . . . 85 ALA CA . 11223 1 985 . 1 1 85 85 ALA CB C 13 19.580 0.300 . 1 . . . . 85 ALA CB . 11223 1 986 . 1 1 85 85 ALA N N 15 121.716 0.300 . 1 . . . . 85 ALA N . 11223 1 987 . 1 1 86 86 GLY H H 1 7.617 0.030 . 1 . . . . 86 GLY H . 11223 1 988 . 1 1 86 86 GLY HA2 H 1 4.344 0.030 . 2 . . . . 86 GLY HA2 . 11223 1 989 . 1 1 86 86 GLY HA3 H 1 3.738 0.030 . 2 . . . . 86 GLY HA3 . 11223 1 990 . 1 1 86 86 GLY C C 13 170.453 0.300 . 1 . . . . 86 GLY C . 11223 1 991 . 1 1 86 86 GLY CA C 13 45.246 0.300 . 1 . . . . 86 GLY CA . 11223 1 992 . 1 1 86 86 GLY N N 15 107.204 0.300 . 1 . . . . 86 GLY N . 11223 1 993 . 1 1 87 87 ASN H H 1 8.304 0.030 . 1 . . . . 87 ASN H . 11223 1 994 . 1 1 87 87 ASN HA H 1 5.490 0.030 . 1 . . . . 87 ASN HA . 11223 1 995 . 1 1 87 87 ASN HB2 H 1 2.817 0.030 . 2 . . . . 87 ASN HB2 . 11223 1 996 . 1 1 87 87 ASN HB3 H 1 2.674 0.030 . 2 . . . . 87 ASN HB3 . 11223 1 997 . 1 1 87 87 ASN HD21 H 1 7.411 0.030 . 2 . . . . 87 ASN HD21 . 11223 1 998 . 1 1 87 87 ASN HD22 H 1 6.769 0.030 . 2 . . . . 87 ASN HD22 . 11223 1 999 . 1 1 87 87 ASN C C 13 175.118 0.300 . 1 . . . . 87 ASN C . 11223 1 1000 . 1 1 87 87 ASN CA C 13 51.836 0.300 . 1 . . . . 87 ASN CA . 11223 1 1001 . 1 1 87 87 ASN CB C 13 41.611 0.300 . 1 . . . . 87 ASN CB . 11223 1 1002 . 1 1 87 87 ASN N N 15 117.602 0.300 . 1 . . . . 87 ASN N . 11223 1 1003 . 1 1 87 87 ASN ND2 N 15 113.235 0.300 . 1 . . . . 87 ASN ND2 . 11223 1 1004 . 1 1 88 88 SER H H 1 8.668 0.030 . 1 . . . . 88 SER H . 11223 1 1005 . 1 1 88 88 SER HA H 1 4.673 0.030 . 1 . . . . 88 SER HA . 11223 1 1006 . 1 1 88 88 SER HB2 H 1 3.600 0.030 . 2 . . . . 88 SER HB2 . 11223 1 1007 . 1 1 88 88 SER HB3 H 1 3.487 0.030 . 2 . . . . 88 SER HB3 . 11223 1 1008 . 1 1 88 88 SER C C 13 171.504 0.300 . 1 . . . . 88 SER C . 11223 1 1009 . 1 1 88 88 SER CA C 13 58.183 0.300 . 1 . . . . 88 SER CA . 11223 1 1010 . 1 1 88 88 SER CB C 13 66.614 0.300 . 1 . . . . 88 SER CB . 11223 1 1011 . 1 1 88 88 SER N N 15 115.325 0.300 . 1 . . . . 88 SER N . 11223 1 1012 . 1 1 89 89 ASN H H 1 8.439 0.030 . 1 . . . . 89 ASN H . 11223 1 1013 . 1 1 89 89 ASN HA H 1 5.821 0.030 . 1 . . . . 89 ASN HA . 11223 1 1014 . 1 1 89 89 ASN HB2 H 1 2.530 0.030 . 2 . . . . 89 ASN HB2 . 11223 1 1015 . 1 1 89 89 ASN HB3 H 1 2.494 0.030 . 2 . . . . 89 ASN HB3 . 11223 1 1016 . 1 1 89 89 ASN HD21 H 1 7.344 0.030 . 2 . . . . 89 ASN HD21 . 11223 1 1017 . 1 1 89 89 ASN HD22 H 1 6.662 0.030 . 2 . . . . 89 ASN HD22 . 11223 1 1018 . 1 1 89 89 ASN C C 13 174.234 0.300 . 1 . . . . 89 ASN C . 11223 1 1019 . 1 1 89 89 ASN CA C 13 52.003 0.300 . 1 . . . . 89 ASN CA . 11223 1 1020 . 1 1 89 89 ASN CB C 13 42.287 0.300 . 1 . . . . 89 ASN CB . 11223 1 1021 . 1 1 89 89 ASN N N 15 119.204 0.300 . 1 . . . . 89 ASN N . 11223 1 1022 . 1 1 89 89 ASN ND2 N 15 112.751 0.300 . 1 . . . . 89 ASN ND2 . 11223 1 1023 . 1 1 90 90 ALA H H 1 8.661 0.030 . 1 . . . . 90 ALA H . 11223 1 1024 . 1 1 90 90 ALA HA H 1 4.704 0.030 . 1 . . . . 90 ALA HA . 11223 1 1025 . 1 1 90 90 ALA HB1 H 1 1.516 0.030 . 1 . . . . 90 ALA HB . 11223 1 1026 . 1 1 90 90 ALA HB2 H 1 1.516 0.030 . 1 . . . . 90 ALA HB . 11223 1 1027 . 1 1 90 90 ALA HB3 H 1 1.516 0.030 . 1 . . . . 90 ALA HB . 11223 1 1028 . 1 1 90 90 ALA C C 13 175.484 0.300 . 1 . . . . 90 ALA C . 11223 1 1029 . 1 1 90 90 ALA CA C 13 52.529 0.300 . 1 . . . . 90 ALA CA . 11223 1 1030 . 1 1 90 90 ALA CB C 13 23.146 0.300 . 1 . . . . 90 ALA CB . 11223 1 1031 . 1 1 90 90 ALA N N 15 122.294 0.300 . 1 . . . . 90 ALA N . 11223 1 1032 . 1 1 91 91 SER H H 1 8.904 0.030 . 1 . . . . 91 SER H . 11223 1 1033 . 1 1 91 91 SER HA H 1 5.975 0.030 . 1 . . . . 91 SER HA . 11223 1 1034 . 1 1 91 91 SER HB2 H 1 3.809 0.030 . 2 . . . . 91 SER HB2 . 11223 1 1035 . 1 1 91 91 SER HB3 H 1 3.658 0.030 . 2 . . . . 91 SER HB3 . 11223 1 1036 . 1 1 91 91 SER C C 13 173.103 0.300 . 1 . . . . 91 SER C . 11223 1 1037 . 1 1 91 91 SER CA C 13 57.418 0.300 . 1 . . . . 91 SER CA . 11223 1 1038 . 1 1 91 91 SER CB C 13 67.131 0.300 . 1 . . . . 91 SER CB . 11223 1 1039 . 1 1 91 91 SER N N 15 116.663 0.300 . 1 . . . . 91 SER N . 11223 1 1040 . 1 1 92 92 ALA H H 1 9.292 0.030 . 1 . . . . 92 ALA H . 11223 1 1041 . 1 1 92 92 ALA HA H 1 4.703 0.030 . 1 . . . . 92 ALA HA . 11223 1 1042 . 1 1 92 92 ALA HB1 H 1 1.315 0.030 . 1 . . . . 92 ALA HB . 11223 1 1043 . 1 1 92 92 ALA HB2 H 1 1.315 0.030 . 1 . . . . 92 ALA HB . 11223 1 1044 . 1 1 92 92 ALA HB3 H 1 1.315 0.030 . 1 . . . . 92 ALA HB . 11223 1 1045 . 1 1 92 92 ALA C C 13 173.849 0.300 . 1 . . . . 92 ALA C . 11223 1 1046 . 1 1 92 92 ALA CA C 13 51.600 0.300 . 1 . . . . 92 ALA CA . 11223 1 1047 . 1 1 92 92 ALA CB C 13 23.785 0.300 . 1 . . . . 92 ALA CB . 11223 1 1048 . 1 1 92 92 ALA N N 15 123.527 0.300 . 1 . . . . 92 ALA N . 11223 1 1049 . 1 1 93 93 TYR H H 1 9.337 0.030 . 1 . . . . 93 TYR H . 11223 1 1050 . 1 1 93 93 TYR HA H 1 4.992 0.030 . 1 . . . . 93 TYR HA . 11223 1 1051 . 1 1 93 93 TYR HB2 H 1 2.910 0.030 . 2 . . . . 93 TYR HB2 . 11223 1 1052 . 1 1 93 93 TYR HB3 H 1 2.802 0.030 . 2 . . . . 93 TYR HB3 . 11223 1 1053 . 1 1 93 93 TYR HD1 H 1 7.012 0.030 . 1 . . . . 93 TYR HD1 . 11223 1 1054 . 1 1 93 93 TYR HD2 H 1 7.012 0.030 . 1 . . . . 93 TYR HD2 . 11223 1 1055 . 1 1 93 93 TYR HE1 H 1 6.716 0.030 . 1 . . . . 93 TYR HE1 . 11223 1 1056 . 1 1 93 93 TYR HE2 H 1 6.716 0.030 . 1 . . . . 93 TYR HE2 . 11223 1 1057 . 1 1 93 93 TYR C C 13 174.167 0.300 . 1 . . . . 93 TYR C . 11223 1 1058 . 1 1 93 93 TYR CA C 13 57.331 0.300 . 1 . . . . 93 TYR CA . 11223 1 1059 . 1 1 93 93 TYR CB C 13 40.690 0.300 . 1 . . . . 93 TYR CB . 11223 1 1060 . 1 1 93 93 TYR CD1 C 13 132.916 0.300 . 1 . . . . 93 TYR CD1 . 11223 1 1061 . 1 1 93 93 TYR CD2 C 13 132.916 0.300 . 1 . . . . 93 TYR CD2 . 11223 1 1062 . 1 1 93 93 TYR CE1 C 13 117.500 0.300 . 1 . . . . 93 TYR CE1 . 11223 1 1063 . 1 1 93 93 TYR CE2 C 13 117.500 0.300 . 1 . . . . 93 TYR CE2 . 11223 1 1064 . 1 1 93 93 TYR N N 15 122.466 0.300 . 1 . . . . 93 TYR N . 11223 1 1065 . 1 1 94 94 LEU H H 1 8.758 0.030 . 1 . . . . 94 LEU H . 11223 1 1066 . 1 1 94 94 LEU HA H 1 4.864 0.030 . 1 . . . . 94 LEU HA . 11223 1 1067 . 1 1 94 94 LEU HB2 H 1 2.149 0.030 . 2 . . . . 94 LEU HB2 . 11223 1 1068 . 1 1 94 94 LEU HB3 H 1 0.838 0.030 . 2 . . . . 94 LEU HB3 . 11223 1 1069 . 1 1 94 94 LEU HD11 H 1 0.287 0.030 . 1 . . . . 94 LEU HD1 . 11223 1 1070 . 1 1 94 94 LEU HD12 H 1 0.287 0.030 . 1 . . . . 94 LEU HD1 . 11223 1 1071 . 1 1 94 94 LEU HD13 H 1 0.287 0.030 . 1 . . . . 94 LEU HD1 . 11223 1 1072 . 1 1 94 94 LEU HD21 H 1 -0.060 0.030 . 1 . . . . 94 LEU HD2 . 11223 1 1073 . 1 1 94 94 LEU HD22 H 1 -0.060 0.030 . 1 . . . . 94 LEU HD2 . 11223 1 1074 . 1 1 94 94 LEU HD23 H 1 -0.060 0.030 . 1 . . . . 94 LEU HD2 . 11223 1 1075 . 1 1 94 94 LEU HG H 1 0.964 0.030 . 1 . . . . 94 LEU HG . 11223 1 1076 . 1 1 94 94 LEU C C 13 173.311 0.300 . 1 . . . . 94 LEU C . 11223 1 1077 . 1 1 94 94 LEU CA C 13 53.355 0.300 . 1 . . . . 94 LEU CA . 11223 1 1078 . 1 1 94 94 LEU CB C 13 44.821 0.300 . 1 . . . . 94 LEU CB . 11223 1 1079 . 1 1 94 94 LEU CD1 C 13 24.579 0.300 . 2 . . . . 94 LEU CD1 . 11223 1 1080 . 1 1 94 94 LEU CD2 C 13 26.159 0.300 . 2 . . . . 94 LEU CD2 . 11223 1 1081 . 1 1 94 94 LEU CG C 13 27.602 0.300 . 1 . . . . 94 LEU CG . 11223 1 1082 . 1 1 94 94 LEU N N 15 131.179 0.300 . 1 . . . . 94 LEU N . 11223 1 1083 . 1 1 95 95 ASN H H 1 8.970 0.030 . 1 . . . . 95 ASN H . 11223 1 1084 . 1 1 95 95 ASN HA H 1 5.000 0.030 . 1 . . . . 95 ASN HA . 11223 1 1085 . 1 1 95 95 ASN HB2 H 1 3.318 0.030 . 2 . . . . 95 ASN HB2 . 11223 1 1086 . 1 1 95 95 ASN HB3 H 1 2.598 0.030 . 2 . . . . 95 ASN HB3 . 11223 1 1087 . 1 1 95 95 ASN HD21 H 1 6.800 0.030 . 2 . . . . 95 ASN HD21 . 11223 1 1088 . 1 1 95 95 ASN HD22 H 1 7.398 0.030 . 2 . . . . 95 ASN HD22 . 11223 1 1089 . 1 1 95 95 ASN C C 13 173.838 0.300 . 1 . . . . 95 ASN C . 11223 1 1090 . 1 1 95 95 ASN CA C 13 52.152 0.300 . 1 . . . . 95 ASN CA . 11223 1 1091 . 1 1 95 95 ASN CB C 13 40.741 0.300 . 1 . . . . 95 ASN CB . 11223 1 1092 . 1 1 95 95 ASN N N 15 125.388 0.300 . 1 . . . . 95 ASN N . 11223 1 1093 . 1 1 95 95 ASN ND2 N 15 111.809 0.300 . 1 . . . . 95 ASN ND2 . 11223 1 1094 . 1 1 96 96 VAL H H 1 7.941 0.030 . 1 . . . . 96 VAL H . 11223 1 1095 . 1 1 96 96 VAL HA H 1 4.900 0.030 . 1 . . . . 96 VAL HA . 11223 1 1096 . 1 1 96 96 VAL HB H 1 1.906 0.030 . 1 . . . . 96 VAL HB . 11223 1 1097 . 1 1 96 96 VAL HG11 H 1 0.592 0.030 . 1 . . . . 96 VAL HG1 . 11223 1 1098 . 1 1 96 96 VAL HG12 H 1 0.592 0.030 . 1 . . . . 96 VAL HG1 . 11223 1 1099 . 1 1 96 96 VAL HG13 H 1 0.592 0.030 . 1 . . . . 96 VAL HG1 . 11223 1 1100 . 1 1 96 96 VAL HG21 H 1 0.561 0.030 . 1 . . . . 96 VAL HG2 . 11223 1 1101 . 1 1 96 96 VAL HG22 H 1 0.561 0.030 . 1 . . . . 96 VAL HG2 . 11223 1 1102 . 1 1 96 96 VAL HG23 H 1 0.561 0.030 . 1 . . . . 96 VAL HG2 . 11223 1 1103 . 1 1 96 96 VAL C C 13 175.254 0.300 . 1 . . . . 96 VAL C . 11223 1 1104 . 1 1 96 96 VAL CA C 13 60.741 0.300 . 1 . . . . 96 VAL CA . 11223 1 1105 . 1 1 96 96 VAL CB C 13 32.273 0.300 . 1 . . . . 96 VAL CB . 11223 1 1106 . 1 1 96 96 VAL CG1 C 13 21.259 0.300 . 2 . . . . 96 VAL CG1 . 11223 1 1107 . 1 1 96 96 VAL CG2 C 13 20.163 0.300 . 2 . . . . 96 VAL CG2 . 11223 1 1108 . 1 1 96 96 VAL N N 15 126.835 0.300 . 1 . . . . 96 VAL N . 11223 1 1109 . 1 1 97 97 SER H H 1 8.521 0.030 . 1 . . . . 97 SER H . 11223 1 1110 . 1 1 97 97 SER HA H 1 4.771 0.030 . 1 . . . . 97 SER HA . 11223 1 1111 . 1 1 97 97 SER HB2 H 1 3.856 0.030 . 2 . . . . 97 SER HB2 . 11223 1 1112 . 1 1 97 97 SER HB3 H 1 3.753 0.030 . 2 . . . . 97 SER HB3 . 11223 1 1113 . 1 1 97 97 SER C C 13 174.041 0.300 . 1 . . . . 97 SER C . 11223 1 1114 . 1 1 97 97 SER CA C 13 56.631 0.300 . 1 . . . . 97 SER CA . 11223 1 1115 . 1 1 97 97 SER CB C 13 65.570 0.300 . 1 . . . . 97 SER CB . 11223 1 1116 . 1 1 97 97 SER N N 15 121.260 0.300 . 1 . . . . 97 SER N . 11223 1 1117 . 1 1 98 98 SER H H 1 8.659 0.030 . 1 . . . . 98 SER H . 11223 1 1118 . 1 1 98 98 SER HA H 1 4.511 0.030 . 1 . . . . 98 SER HA . 11223 1 1119 . 1 1 98 98 SER HB2 H 1 3.906 0.030 . 1 . . . . 98 SER HB2 . 11223 1 1120 . 1 1 98 98 SER HB3 H 1 3.906 0.030 . 1 . . . . 98 SER HB3 . 11223 1 1121 . 1 1 98 98 SER C C 13 175.055 0.300 . 1 . . . . 98 SER C . 11223 1 1122 . 1 1 98 98 SER CA C 13 58.781 0.300 . 1 . . . . 98 SER CA . 11223 1 1123 . 1 1 98 98 SER CB C 13 63.973 0.300 . 1 . . . . 98 SER CB . 11223 1 1124 . 1 1 98 98 SER N N 15 116.835 0.300 . 1 . . . . 98 SER N . 11223 1 1125 . 1 1 99 99 GLY H H 1 8.732 0.030 . 1 . . . . 99 GLY H . 11223 1 1126 . 1 1 99 99 GLY HA2 H 1 4.246 0.030 . 2 . . . . 99 GLY HA2 . 11223 1 1127 . 1 1 99 99 GLY HA3 H 1 4.083 0.030 . 2 . . . . 99 GLY HA3 . 11223 1 1128 . 1 1 99 99 GLY C C 13 171.838 0.300 . 1 . . . . 99 GLY C . 11223 1 1129 . 1 1 99 99 GLY CA C 13 44.590 0.300 . 1 . . . . 99 GLY CA . 11223 1 1130 . 1 1 99 99 GLY N N 15 111.541 0.300 . 1 . . . . 99 GLY N . 11223 1 1131 . 1 1 100 100 PRO HA H 1 4.483 0.030 . 1 . . . . 100 PRO HA . 11223 1 1132 . 1 1 100 100 PRO HB2 H 1 1.965 0.030 . 2 . . . . 100 PRO HB2 . 11223 1 1133 . 1 1 100 100 PRO HB3 H 1 2.292 0.030 . 2 . . . . 100 PRO HB3 . 11223 1 1134 . 1 1 100 100 PRO HD2 H 1 3.640 0.030 . 1 . . . . 100 PRO HD2 . 11223 1 1135 . 1 1 100 100 PRO HD3 H 1 3.640 0.030 . 1 . . . . 100 PRO HD3 . 11223 1 1136 . 1 1 100 100 PRO HG2 H 1 2.016 0.030 . 1 . . . . 100 PRO HG2 . 11223 1 1137 . 1 1 100 100 PRO HG3 H 1 2.016 0.030 . 1 . . . . 100 PRO HG3 . 11223 1 1138 . 1 1 100 100 PRO C C 13 177.360 0.300 . 1 . . . . 100 PRO C . 11223 1 1139 . 1 1 100 100 PRO CA C 13 63.121 0.300 . 1 . . . . 100 PRO CA . 11223 1 1140 . 1 1 100 100 PRO CB C 13 32.216 0.300 . 1 . . . . 100 PRO CB . 11223 1 1141 . 1 1 100 100 PRO CD C 13 49.812 0.300 . 1 . . . . 100 PRO CD . 11223 1 1142 . 1 1 100 100 PRO CG C 13 27.154 0.300 . 1 . . . . 100 PRO CG . 11223 1 1143 . 1 1 101 101 SER H H 1 8.513 0.030 . 1 . . . . 101 SER H . 11223 1 1144 . 1 1 101 101 SER HA H 1 4.501 0.030 . 1 . . . . 101 SER HA . 11223 1 1145 . 1 1 101 101 SER HB2 H 1 3.912 0.030 . 1 . . . . 101 SER HB2 . 11223 1 1146 . 1 1 101 101 SER HB3 H 1 3.912 0.030 . 1 . . . . 101 SER HB3 . 11223 1 1147 . 1 1 101 101 SER C C 13 174.683 0.300 . 1 . . . . 101 SER C . 11223 1 1148 . 1 1 101 101 SER CA C 13 58.382 0.300 . 1 . . . . 101 SER CA . 11223 1 1149 . 1 1 101 101 SER CB C 13 63.604 0.300 . 1 . . . . 101 SER CB . 11223 1 1150 . 1 1 101 101 SER N N 15 116.516 0.300 . 1 . . . . 101 SER N . 11223 1 1151 . 1 1 102 102 SER H H 1 8.339 0.030 . 1 . . . . 102 SER H . 11223 1 1152 . 1 1 102 102 SER HA H 1 4.504 0.030 . 1 . . . . 102 SER HA . 11223 1 1153 . 1 1 102 102 SER HB2 H 1 3.902 0.030 . 1 . . . . 102 SER HB2 . 11223 1 1154 . 1 1 102 102 SER HB3 H 1 3.902 0.030 . 1 . . . . 102 SER HB3 . 11223 1 1155 . 1 1 102 102 SER C C 13 173.923 0.300 . 1 . . . . 102 SER C . 11223 1 1156 . 1 1 102 102 SER CA C 13 58.384 0.300 . 1 . . . . 102 SER CA . 11223 1 1157 . 1 1 102 102 SER CB C 13 64.086 0.300 . 1 . . . . 102 SER CB . 11223 1 1158 . 1 1 102 102 SER N N 15 117.889 0.300 . 1 . . . . 102 SER N . 11223 1 1159 . 1 1 103 103 GLY H H 1 8.051 0.030 . 1 . . . . 103 GLY H . 11223 1 1160 . 1 1 103 103 GLY HA2 H 1 3.813 0.030 . 2 . . . . 103 GLY HA2 . 11223 1 1161 . 1 1 103 103 GLY HA3 H 1 3.762 0.030 . 2 . . . . 103 GLY HA3 . 11223 1 1162 . 1 1 103 103 GLY C C 13 178.974 0.300 . 1 . . . . 103 GLY C . 11223 1 1163 . 1 1 103 103 GLY CA C 13 46.239 0.300 . 1 . . . . 103 GLY CA . 11223 1 1164 . 1 1 103 103 GLY N N 15 116.877 0.300 . 1 . . . . 103 GLY N . 11223 1 stop_ save_