data_11271 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11271 _Entry.Title ; Solution Structure of the C-terminal UBA Domain in the Human Ubiquilin 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _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 C. Zhao . . . 11271 2 T. Kigawa . . . 11271 3 M. Sato . . . 11271 4 S. Koshiba . . . 11271 5 M. Inoue . . . 11271 6 S. Yokoyama . . . 11271 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)' . 11271 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11271 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 195 11271 '15N chemical shifts' 52 11271 '1H chemical shifts' 315 11271 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 . . 2011-08-18 2010-08-09 original author . 11271 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DAH 'BMRB Entry Tracking System' 11271 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11271 _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 C-terminal UBA Domain in the Human Ubiquilin 3' _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 C. Zhao . . . 11271 1 2 T. Kigawa . . . 11271 1 3 M. Sato . . . 11271 1 4 S. Koshiba . . . 11271 1 5 M. Inoue . . . 11271 1 6 S. Yokoyama . . . 11271 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11271 _Assembly.ID 1 _Assembly.Name Ubiquilin-3 _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 'UBA domain' 1 $entity_1 A . yes native no no . . . 11271 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 2dah . . . . . . 11271 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11271 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UBA 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 ; GSSGSSGHFQVQLEQLRSMG FLNREANLQALIATGGDVDA AVEKLRQSSGPSSG ; _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DAH . "Solution Structure Of The C-Terminal Uba Domain In The Human Ubiquilin 3" . . . . . 100.00 54 100.00 100.00 3.64e-28 . . . . 11271 1 2 no DBJ BAK62003 . "ubiquilin-3 [Pan troglodytes]" . . . . . 77.78 655 97.62 97.62 9.50e-18 . . . . 11271 1 3 no DBJ BAK63613 . "ubiquilin-3 [Pan troglodytes]" . . . . . 77.78 655 97.62 97.62 9.50e-18 . . . . 11271 1 4 no GB AAF67143 . "ubiquilin 3 [Homo sapiens]" . . . . . 77.78 655 97.62 97.62 1.14e-17 . . . . 11271 1 5 no GB AAG41675 . "ubiquilin 3 [Homo sapiens]" . . . . . 77.78 670 97.62 97.62 1.02e-17 . . . . 11271 1 6 no GB AAH36743 . "Ubiquilin 3 [Homo sapiens]" . . . . . 77.78 655 97.62 97.62 1.14e-17 . . . . 11271 1 7 no GB ABW03695 . "ubiquilin 3 [synthetic construct]" . . . . . 77.78 655 97.62 97.62 1.14e-17 . . . . 11271 1 8 no GB EAW68790 . "ubiquilin 3 [Homo sapiens]" . . . . . 77.78 655 97.62 97.62 1.14e-17 . . . . 11271 1 9 no REF NP_059509 . "ubiquilin-3 [Homo sapiens]" . . . . . 77.78 655 97.62 97.62 1.14e-17 . . . . 11271 1 10 no REF XP_002822162 . "PREDICTED: ubiquilin-3 [Pongo abelii]" . . . . . 77.78 655 97.62 97.62 1.07e-17 . . . . 11271 1 11 no REF XP_003254882 . "PREDICTED: ubiquilin-3 [Nomascus leucogenys]" . . . . . 77.78 655 97.62 97.62 9.23e-18 . . . . 11271 1 12 no REF XP_003254883 . "PREDICTED: ubiquilin-3 [Nomascus leucogenys]" . . . . . 77.78 655 97.62 97.62 9.23e-18 . . . . 11271 1 13 no REF XP_003312933 . "PREDICTED: LOW QUALITY PROTEIN: ubiquilin-3 [Pan troglodytes]" . . . . . 77.78 655 97.62 97.62 8.45e-18 . . . . 11271 1 14 no SP Q9H347 . "RecName: Full=Ubiquilin-3" . . . . . 77.78 655 97.62 97.62 1.14e-17 . . . . 11271 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'UBA domain' . 11271 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 . 11271 1 2 . SER . 11271 1 3 . SER . 11271 1 4 . GLY . 11271 1 5 . SER . 11271 1 6 . SER . 11271 1 7 . GLY . 11271 1 8 . HIS . 11271 1 9 . PHE . 11271 1 10 . GLN . 11271 1 11 . VAL . 11271 1 12 . GLN . 11271 1 13 . LEU . 11271 1 14 . GLU . 11271 1 15 . GLN . 11271 1 16 . LEU . 11271 1 17 . ARG . 11271 1 18 . SER . 11271 1 19 . MET . 11271 1 20 . GLY . 11271 1 21 . PHE . 11271 1 22 . LEU . 11271 1 23 . ASN . 11271 1 24 . ARG . 11271 1 25 . GLU . 11271 1 26 . ALA . 11271 1 27 . ASN . 11271 1 28 . LEU . 11271 1 29 . GLN . 11271 1 30 . ALA . 11271 1 31 . LEU . 11271 1 32 . ILE . 11271 1 33 . ALA . 11271 1 34 . THR . 11271 1 35 . GLY . 11271 1 36 . GLY . 11271 1 37 . ASP . 11271 1 38 . VAL . 11271 1 39 . ASP . 11271 1 40 . ALA . 11271 1 41 . ALA . 11271 1 42 . VAL . 11271 1 43 . GLU . 11271 1 44 . LYS . 11271 1 45 . LEU . 11271 1 46 . ARG . 11271 1 47 . GLN . 11271 1 48 . SER . 11271 1 49 . SER . 11271 1 50 . GLY . 11271 1 51 . PRO . 11271 1 52 . SER . 11271 1 53 . SER . 11271 1 54 . GLY . 11271 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 11271 1 . SER 2 2 11271 1 . SER 3 3 11271 1 . GLY 4 4 11271 1 . SER 5 5 11271 1 . SER 6 6 11271 1 . GLY 7 7 11271 1 . HIS 8 8 11271 1 . PHE 9 9 11271 1 . GLN 10 10 11271 1 . VAL 11 11 11271 1 . GLN 12 12 11271 1 . LEU 13 13 11271 1 . GLU 14 14 11271 1 . GLN 15 15 11271 1 . LEU 16 16 11271 1 . ARG 17 17 11271 1 . SER 18 18 11271 1 . MET 19 19 11271 1 . GLY 20 20 11271 1 . PHE 21 21 11271 1 . LEU 22 22 11271 1 . ASN 23 23 11271 1 . ARG 24 24 11271 1 . GLU 25 25 11271 1 . ALA 26 26 11271 1 . ASN 27 27 11271 1 . LEU 28 28 11271 1 . GLN 29 29 11271 1 . ALA 30 30 11271 1 . LEU 31 31 11271 1 . ILE 32 32 11271 1 . ALA 33 33 11271 1 . THR 34 34 11271 1 . GLY 35 35 11271 1 . GLY 36 36 11271 1 . ASP 37 37 11271 1 . VAL 38 38 11271 1 . ASP 39 39 11271 1 . ALA 40 40 11271 1 . ALA 41 41 11271 1 . VAL 42 42 11271 1 . GLU 43 43 11271 1 . LYS 44 44 11271 1 . LEU 45 45 11271 1 . ARG 46 46 11271 1 . GLN 47 47 11271 1 . SER 48 48 11271 1 . SER 49 49 11271 1 . GLY 50 50 11271 1 . PRO 51 51 11271 1 . SER 52 52 11271 1 . SER 53 53 11271 1 . GLY 54 54 11271 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 11271 _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 . . . . . . . . . . . . . . . . . . . . . 11271 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 11271 _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 . . P050613-28 . . . . . . 11271 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11271 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.80mM UBA domain U-15N, {13C;} 20mM d-Tris-HCl (pH {7.0);} 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 'UBA domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.80 . . mM . . . . 11271 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11271 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11271 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11271 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11271 1 6 H2O . . . . . . solvent 90 . . % . . . . 11271 1 7 D2O . . . . . . solvent 10 . . % . . . . 11271 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 11271 _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 11271 1 pH 7.0 0.05 pH 11271 1 pressure 1 0.001 atm 11271 1 temperature 296.0 0.1 K 11271 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11271 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11271 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11271 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11271 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11271 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11271 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11271 _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.' . . 11271 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11271 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11271 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11271 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11271 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11271 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11271 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11271 5 'structure solution' 11271 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 11271 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11271 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 700 . . . 11271 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 11271 _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 . . . . . . . . . . . . . . . . 11271 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11271 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 11271 _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 . . . . . . . . . 11271 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11271 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11271 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 11271 _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 11271 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11271 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 $XWINNMR . . 11271 1 2 $NMRPipe . . 11271 1 3 $NMRView . . 11271 1 4 $Kujira . . 11271 1 5 $CYANA . . 11271 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 8 8 HIS HA H 1 4.442 0.030 . 1 . . . . 8 HIS HA . 11271 1 2 . 1 1 8 8 HIS HB2 H 1 2.812 0.030 . 1 . . . . 8 HIS HB2 . 11271 1 3 . 1 1 8 8 HIS HB3 H 1 2.812 0.030 . 1 . . . . 8 HIS HB3 . 11271 1 4 . 1 1 8 8 HIS HD2 H 1 6.480 0.030 . 1 . . . . 8 HIS HD2 . 11271 1 5 . 1 1 8 8 HIS HE1 H 1 7.684 0.030 . 1 . . . . 8 HIS HE1 . 11271 1 6 . 1 1 8 8 HIS C C 13 175.815 0.300 . 1 . . . . 8 HIS C . 11271 1 7 . 1 1 8 8 HIS CA C 13 56.811 0.300 . 1 . . . . 8 HIS CA . 11271 1 8 . 1 1 8 8 HIS CB C 13 30.773 0.300 . 1 . . . . 8 HIS CB . 11271 1 9 . 1 1 8 8 HIS CD2 C 13 118.748 0.300 . 1 . . . . 8 HIS CD2 . 11271 1 10 . 1 1 8 8 HIS CE1 C 13 138.363 0.300 . 1 . . . . 8 HIS CE1 . 11271 1 11 . 1 1 9 9 PHE H H 1 8.416 0.030 . 1 . . . . 9 PHE H . 11271 1 12 . 1 1 9 9 PHE HA H 1 5.085 0.030 . 1 . . . . 9 PHE HA . 11271 1 13 . 1 1 9 9 PHE HB2 H 1 2.834 0.030 . 2 . . . . 9 PHE HB2 . 11271 1 14 . 1 1 9 9 PHE HB3 H 1 3.448 0.030 . 2 . . . . 9 PHE HB3 . 11271 1 15 . 1 1 9 9 PHE HD1 H 1 7.020 0.030 . 1 . . . . 9 PHE HD1 . 11271 1 16 . 1 1 9 9 PHE HD2 H 1 7.020 0.030 . 1 . . . . 9 PHE HD2 . 11271 1 17 . 1 1 9 9 PHE HE1 H 1 7.120 0.030 . 1 . . . . 9 PHE HE1 . 11271 1 18 . 1 1 9 9 PHE HE2 H 1 7.120 0.030 . 1 . . . . 9 PHE HE2 . 11271 1 19 . 1 1 9 9 PHE C C 13 175.670 0.300 . 1 . . . . 9 PHE C . 11271 1 20 . 1 1 9 9 PHE CA C 13 56.318 0.300 . 1 . . . . 9 PHE CA . 11271 1 21 . 1 1 9 9 PHE CB C 13 38.092 0.300 . 1 . . . . 9 PHE CB . 11271 1 22 . 1 1 9 9 PHE CD1 C 13 130.975 0.300 . 1 . . . . 9 PHE CD1 . 11271 1 23 . 1 1 9 9 PHE CD2 C 13 130.975 0.300 . 1 . . . . 9 PHE CD2 . 11271 1 24 . 1 1 9 9 PHE CE1 C 13 131.249 0.300 . 1 . . . . 9 PHE CE1 . 11271 1 25 . 1 1 9 9 PHE CE2 C 13 131.249 0.300 . 1 . . . . 9 PHE CE2 . 11271 1 26 . 1 1 9 9 PHE N N 15 116.965 0.300 . 1 . . . . 9 PHE N . 11271 1 27 . 1 1 10 10 GLN H H 1 8.006 0.030 . 1 . . . . 10 GLN H . 11271 1 28 . 1 1 10 10 GLN HA H 1 3.949 0.030 . 1 . . . . 10 GLN HA . 11271 1 29 . 1 1 10 10 GLN HB2 H 1 2.093 0.030 . 2 . . . . 10 GLN HB2 . 11271 1 30 . 1 1 10 10 GLN HB3 H 1 2.218 0.030 . 2 . . . . 10 GLN HB3 . 11271 1 31 . 1 1 10 10 GLN HE21 H 1 6.848 0.030 . 2 . . . . 10 GLN HE21 . 11271 1 32 . 1 1 10 10 GLN HE22 H 1 7.576 0.030 . 2 . . . . 10 GLN HE22 . 11271 1 33 . 1 1 10 10 GLN HG2 H 1 2.443 0.030 . 1 . . . . 10 GLN HG2 . 11271 1 34 . 1 1 10 10 GLN HG3 H 1 2.443 0.030 . 1 . . . . 10 GLN HG3 . 11271 1 35 . 1 1 10 10 GLN C C 13 178.941 0.300 . 1 . . . . 10 GLN C . 11271 1 36 . 1 1 10 10 GLN CA C 13 60.787 0.300 . 1 . . . . 10 GLN CA . 11271 1 37 . 1 1 10 10 GLN CB C 13 28.553 0.300 . 1 . . . . 10 GLN CB . 11271 1 38 . 1 1 10 10 GLN CG C 13 33.499 0.300 . 1 . . . . 10 GLN CG . 11271 1 39 . 1 1 10 10 GLN N N 15 119.324 0.300 . 1 . . . . 10 GLN N . 11271 1 40 . 1 1 10 10 GLN NE2 N 15 112.051 0.300 . 1 . . . . 10 GLN NE2 . 11271 1 41 . 1 1 11 11 VAL H H 1 8.617 0.030 . 1 . . . . 11 VAL H . 11271 1 42 . 1 1 11 11 VAL HA H 1 3.735 0.030 . 1 . . . . 11 VAL HA . 11271 1 43 . 1 1 11 11 VAL HB H 1 1.955 0.030 . 1 . . . . 11 VAL HB . 11271 1 44 . 1 1 11 11 VAL HG11 H 1 0.936 0.030 . 1 . . . . 11 VAL HG1 . 11271 1 45 . 1 1 11 11 VAL HG12 H 1 0.936 0.030 . 1 . . . . 11 VAL HG1 . 11271 1 46 . 1 1 11 11 VAL HG13 H 1 0.936 0.030 . 1 . . . . 11 VAL HG1 . 11271 1 47 . 1 1 11 11 VAL HG21 H 1 1.064 0.030 . 1 . . . . 11 VAL HG2 . 11271 1 48 . 1 1 11 11 VAL HG22 H 1 1.064 0.030 . 1 . . . . 11 VAL HG2 . 11271 1 49 . 1 1 11 11 VAL HG23 H 1 1.064 0.030 . 1 . . . . 11 VAL HG2 . 11271 1 50 . 1 1 11 11 VAL C C 13 179.086 0.300 . 1 . . . . 11 VAL C . 11271 1 51 . 1 1 11 11 VAL CA C 13 66.451 0.300 . 1 . . . . 11 VAL CA . 11271 1 52 . 1 1 11 11 VAL CB C 13 31.678 0.300 . 1 . . . . 11 VAL CB . 11271 1 53 . 1 1 11 11 VAL CG1 C 13 20.771 0.300 . 2 . . . . 11 VAL CG1 . 11271 1 54 . 1 1 11 11 VAL CG2 C 13 22.537 0.300 . 2 . . . . 11 VAL CG2 . 11271 1 55 . 1 1 11 11 VAL N N 15 119.004 0.300 . 1 . . . . 11 VAL N . 11271 1 56 . 1 1 12 12 GLN H H 1 8.995 0.030 . 1 . . . . 12 GLN H . 11271 1 57 . 1 1 12 12 GLN HA H 1 4.028 0.030 . 1 . . . . 12 GLN HA . 11271 1 58 . 1 1 12 12 GLN HB2 H 1 1.700 0.030 . 2 . . . . 12 GLN HB2 . 11271 1 59 . 1 1 12 12 GLN HB3 H 1 2.078 0.030 . 2 . . . . 12 GLN HB3 . 11271 1 60 . 1 1 12 12 GLN HE21 H 1 7.276 0.030 . 2 . . . . 12 GLN HE21 . 11271 1 61 . 1 1 12 12 GLN HE22 H 1 7.891 0.030 . 2 . . . . 12 GLN HE22 . 11271 1 62 . 1 1 12 12 GLN HG2 H 1 2.391 0.030 . 2 . . . . 12 GLN HG2 . 11271 1 63 . 1 1 12 12 GLN HG3 H 1 2.853 0.030 . 2 . . . . 12 GLN HG3 . 11271 1 64 . 1 1 12 12 GLN C C 13 178.626 0.300 . 1 . . . . 12 GLN C . 11271 1 65 . 1 1 12 12 GLN CA C 13 60.540 0.300 . 1 . . . . 12 GLN CA . 11271 1 66 . 1 1 12 12 GLN CB C 13 28.896 0.300 . 1 . . . . 12 GLN CB . 11271 1 67 . 1 1 12 12 GLN CG C 13 34.488 0.300 . 1 . . . . 12 GLN CG . 11271 1 68 . 1 1 12 12 GLN N N 15 121.550 0.300 . 1 . . . . 12 GLN N . 11271 1 69 . 1 1 12 12 GLN NE2 N 15 112.341 0.300 . 1 . . . . 12 GLN NE2 . 11271 1 70 . 1 1 13 13 LEU H H 1 8.925 0.030 . 1 . . . . 13 LEU H . 11271 1 71 . 1 1 13 13 LEU HA H 1 3.907 0.030 . 1 . . . . 13 LEU HA . 11271 1 72 . 1 1 13 13 LEU HB2 H 1 1.532 0.030 . 2 . . . . 13 LEU HB2 . 11271 1 73 . 1 1 13 13 LEU HB3 H 1 2.022 0.030 . 2 . . . . 13 LEU HB3 . 11271 1 74 . 1 1 13 13 LEU HD11 H 1 0.869 0.030 . 1 . . . . 13 LEU HD1 . 11271 1 75 . 1 1 13 13 LEU HD12 H 1 0.869 0.030 . 1 . . . . 13 LEU HD1 . 11271 1 76 . 1 1 13 13 LEU HD13 H 1 0.869 0.030 . 1 . . . . 13 LEU HD1 . 11271 1 77 . 1 1 13 13 LEU HD21 H 1 0.952 0.030 . 1 . . . . 13 LEU HD2 . 11271 1 78 . 1 1 13 13 LEU HD22 H 1 0.952 0.030 . 1 . . . . 13 LEU HD2 . 11271 1 79 . 1 1 13 13 LEU HD23 H 1 0.952 0.030 . 1 . . . . 13 LEU HD2 . 11271 1 80 . 1 1 13 13 LEU HG H 1 1.738 0.030 . 1 . . . . 13 LEU HG . 11271 1 81 . 1 1 13 13 LEU C C 13 180.685 0.300 . 1 . . . . 13 LEU C . 11271 1 82 . 1 1 13 13 LEU CA C 13 58.324 0.300 . 1 . . . . 13 LEU CA . 11271 1 83 . 1 1 13 13 LEU CB C 13 41.400 0.300 . 1 . . . . 13 LEU CB . 11271 1 84 . 1 1 13 13 LEU CD1 C 13 24.670 0.300 . 2 . . . . 13 LEU CD1 . 11271 1 85 . 1 1 13 13 LEU CD2 C 13 25.948 0.300 . 2 . . . . 13 LEU CD2 . 11271 1 86 . 1 1 13 13 LEU CG C 13 27.120 0.300 . 1 . . . . 13 LEU CG . 11271 1 87 . 1 1 13 13 LEU N N 15 119.622 0.300 . 1 . . . . 13 LEU N . 11271 1 88 . 1 1 14 14 GLU H H 1 7.771 0.030 . 1 . . . . 14 GLU H . 11271 1 89 . 1 1 14 14 GLU HA H 1 4.290 0.030 . 1 . . . . 14 GLU HA . 11271 1 90 . 1 1 14 14 GLU HB2 H 1 2.147 0.030 . 2 . . . . 14 GLU HB2 . 11271 1 91 . 1 1 14 14 GLU HB3 H 1 2.219 0.030 . 2 . . . . 14 GLU HB3 . 11271 1 92 . 1 1 14 14 GLU HG2 H 1 2.418 0.030 . 1 . . . . 14 GLU HG2 . 11271 1 93 . 1 1 14 14 GLU HG3 H 1 2.418 0.030 . 1 . . . . 14 GLU HG3 . 11271 1 94 . 1 1 14 14 GLU C C 13 179.159 0.300 . 1 . . . . 14 GLU C . 11271 1 95 . 1 1 14 14 GLU CA C 13 58.675 0.300 . 1 . . . . 14 GLU CA . 11271 1 96 . 1 1 14 14 GLU CB C 13 28.635 0.300 . 1 . . . . 14 GLU CB . 11271 1 97 . 1 1 14 14 GLU CG C 13 35.853 0.300 . 1 . . . . 14 GLU CG . 11271 1 98 . 1 1 14 14 GLU N N 15 121.333 0.300 . 1 . . . . 14 GLU N . 11271 1 99 . 1 1 15 15 GLN H H 1 8.186 0.030 . 1 . . . . 15 GLN H . 11271 1 100 . 1 1 15 15 GLN HA H 1 4.090 0.030 . 1 . . . . 15 GLN HA . 11271 1 101 . 1 1 15 15 GLN HB2 H 1 2.036 0.030 . 2 . . . . 15 GLN HB2 . 11271 1 102 . 1 1 15 15 GLN HB3 H 1 2.383 0.030 . 2 . . . . 15 GLN HB3 . 11271 1 103 . 1 1 15 15 GLN HE21 H 1 6.715 0.030 . 2 . . . . 15 GLN HE21 . 11271 1 104 . 1 1 15 15 GLN HE22 H 1 7.231 0.030 . 2 . . . . 15 GLN HE22 . 11271 1 105 . 1 1 15 15 GLN HG2 H 1 2.559 0.030 . 2 . . . . 15 GLN HG2 . 11271 1 106 . 1 1 15 15 GLN HG3 H 1 2.372 0.030 . 2 . . . . 15 GLN HG3 . 11271 1 107 . 1 1 15 15 GLN C C 13 179.837 0.300 . 1 . . . . 15 GLN C . 11271 1 108 . 1 1 15 15 GLN CA C 13 59.344 0.300 . 1 . . . . 15 GLN CA . 11271 1 109 . 1 1 15 15 GLN CB C 13 28.185 0.300 . 1 . . . . 15 GLN CB . 11271 1 110 . 1 1 15 15 GLN CG C 13 34.066 0.300 . 1 . . . . 15 GLN CG . 11271 1 111 . 1 1 15 15 GLN N N 15 121.869 0.300 . 1 . . . . 15 GLN N . 11271 1 112 . 1 1 15 15 GLN NE2 N 15 109.709 0.300 . 1 . . . . 15 GLN NE2 . 11271 1 113 . 1 1 16 16 LEU H H 1 8.410 0.030 . 1 . . . . 16 LEU H . 11271 1 114 . 1 1 16 16 LEU HA H 1 4.179 0.030 . 1 . . . . 16 LEU HA . 11271 1 115 . 1 1 16 16 LEU HB2 H 1 1.452 0.030 . 2 . . . . 16 LEU HB2 . 11271 1 116 . 1 1 16 16 LEU HB3 H 1 1.910 0.030 . 2 . . . . 16 LEU HB3 . 11271 1 117 . 1 1 16 16 LEU HD11 H 1 0.591 0.030 . 1 . . . . 16 LEU HD1 . 11271 1 118 . 1 1 16 16 LEU HD12 H 1 0.591 0.030 . 1 . . . . 16 LEU HD1 . 11271 1 119 . 1 1 16 16 LEU HD13 H 1 0.591 0.030 . 1 . . . . 16 LEU HD1 . 11271 1 120 . 1 1 16 16 LEU HD21 H 1 0.601 0.030 . 1 . . . . 16 LEU HD2 . 11271 1 121 . 1 1 16 16 LEU HD22 H 1 0.601 0.030 . 1 . . . . 16 LEU HD2 . 11271 1 122 . 1 1 16 16 LEU HD23 H 1 0.601 0.030 . 1 . . . . 16 LEU HD2 . 11271 1 123 . 1 1 16 16 LEU HG H 1 1.752 0.030 . 1 . . . . 16 LEU HG . 11271 1 124 . 1 1 16 16 LEU C C 13 179.304 0.300 . 1 . . . . 16 LEU C . 11271 1 125 . 1 1 16 16 LEU CA C 13 58.464 0.300 . 1 . . . . 16 LEU CA . 11271 1 126 . 1 1 16 16 LEU CB C 13 41.546 0.300 . 1 . . . . 16 LEU CB . 11271 1 127 . 1 1 16 16 LEU CD1 C 13 24.237 0.300 . 2 . . . . 16 LEU CD1 . 11271 1 128 . 1 1 16 16 LEU CD2 C 13 26.781 0.300 . 2 . . . . 16 LEU CD2 . 11271 1 129 . 1 1 16 16 LEU CG C 13 27.012 0.300 . 1 . . . . 16 LEU CG . 11271 1 130 . 1 1 16 16 LEU N N 15 119.468 0.300 . 1 . . . . 16 LEU N . 11271 1 131 . 1 1 17 17 ARG H H 1 8.032 0.030 . 1 . . . . 17 ARG H . 11271 1 132 . 1 1 17 17 ARG HA H 1 4.181 0.030 . 1 . . . . 17 ARG HA . 11271 1 133 . 1 1 17 17 ARG HB2 H 1 1.964 0.030 . 2 . . . . 17 ARG HB2 . 11271 1 134 . 1 1 17 17 ARG HB3 H 1 1.982 0.030 . 2 . . . . 17 ARG HB3 . 11271 1 135 . 1 1 17 17 ARG HD2 H 1 3.297 0.030 . 2 . . . . 17 ARG HD2 . 11271 1 136 . 1 1 17 17 ARG HD3 H 1 3.149 0.030 . 2 . . . . 17 ARG HD3 . 11271 1 137 . 1 1 17 17 ARG HG2 H 1 1.682 0.030 . 2 . . . . 17 ARG HG2 . 11271 1 138 . 1 1 17 17 ARG HG3 H 1 1.540 0.030 . 2 . . . . 17 ARG HG3 . 11271 1 139 . 1 1 17 17 ARG C C 13 181.364 0.300 . 1 . . . . 17 ARG C . 11271 1 140 . 1 1 17 17 ARG CA C 13 59.756 0.300 . 1 . . . . 17 ARG CA . 11271 1 141 . 1 1 17 17 ARG CB C 13 29.635 0.300 . 1 . . . . 17 ARG CB . 11271 1 142 . 1 1 17 17 ARG CD C 13 43.142 0.300 . 1 . . . . 17 ARG CD . 11271 1 143 . 1 1 17 17 ARG CG C 13 27.186 0.300 . 1 . . . . 17 ARG CG . 11271 1 144 . 1 1 17 17 ARG N N 15 121.229 0.300 . 1 . . . . 17 ARG N . 11271 1 145 . 1 1 18 18 SER H H 1 8.376 0.030 . 1 . . . . 18 SER H . 11271 1 146 . 1 1 18 18 SER HA H 1 4.212 0.030 . 1 . . . . 18 SER HA . 11271 1 147 . 1 1 18 18 SER HB2 H 1 4.076 0.030 . 1 . . . . 18 SER HB2 . 11271 1 148 . 1 1 18 18 SER HB3 H 1 4.076 0.030 . 1 . . . . 18 SER HB3 . 11271 1 149 . 1 1 18 18 SER C C 13 175.210 0.300 . 1 . . . . 18 SER C . 11271 1 150 . 1 1 18 18 SER CA C 13 61.603 0.300 . 1 . . . . 18 SER CA . 11271 1 151 . 1 1 18 18 SER CB C 13 62.945 0.300 . 1 . . . . 18 SER CB . 11271 1 152 . 1 1 18 18 SER N N 15 117.264 0.300 . 1 . . . . 18 SER N . 11271 1 153 . 1 1 19 19 MET H H 1 7.560 0.030 . 1 . . . . 19 MET H . 11271 1 154 . 1 1 19 19 MET HA H 1 4.364 0.030 . 1 . . . . 19 MET HA . 11271 1 155 . 1 1 19 19 MET HB2 H 1 2.374 0.030 . 2 . . . . 19 MET HB2 . 11271 1 156 . 1 1 19 19 MET HB3 H 1 2.507 0.030 . 2 . . . . 19 MET HB3 . 11271 1 157 . 1 1 19 19 MET HE1 H 1 2.097 0.030 . 1 . . . . 19 MET HE . 11271 1 158 . 1 1 19 19 MET HE2 H 1 2.097 0.030 . 1 . . . . 19 MET HE . 11271 1 159 . 1 1 19 19 MET HE3 H 1 2.097 0.030 . 1 . . . . 19 MET HE . 11271 1 160 . 1 1 19 19 MET HG2 H 1 2.606 0.030 . 2 . . . . 19 MET HG2 . 11271 1 161 . 1 1 19 19 MET HG3 H 1 2.873 0.030 . 2 . . . . 19 MET HG3 . 11271 1 162 . 1 1 19 19 MET C C 13 175.500 0.300 . 1 . . . . 19 MET C . 11271 1 163 . 1 1 19 19 MET CA C 13 56.360 0.300 . 1 . . . . 19 MET CA . 11271 1 164 . 1 1 19 19 MET CB C 13 34.553 0.300 . 1 . . . . 19 MET CB . 11271 1 165 . 1 1 19 19 MET CE C 13 17.417 0.300 . 1 . . . . 19 MET CE . 11271 1 166 . 1 1 19 19 MET CG C 13 32.483 0.300 . 1 . . . . 19 MET CG . 11271 1 167 . 1 1 19 19 MET N N 15 119.219 0.300 . 1 . . . . 19 MET N . 11271 1 168 . 1 1 20 20 GLY H H 1 7.885 0.030 . 1 . . . . 20 GLY H . 11271 1 169 . 1 1 20 20 GLY HA2 H 1 3.443 0.030 . 2 . . . . 20 GLY HA2 . 11271 1 170 . 1 1 20 20 GLY HA3 H 1 4.062 0.030 . 2 . . . . 20 GLY HA3 . 11271 1 171 . 1 1 20 20 GLY C C 13 173.296 0.300 . 1 . . . . 20 GLY C . 11271 1 172 . 1 1 20 20 GLY CA C 13 44.953 0.300 . 1 . . . . 20 GLY CA . 11271 1 173 . 1 1 20 20 GLY N N 15 105.736 0.300 . 1 . . . . 20 GLY N . 11271 1 174 . 1 1 21 21 PHE H H 1 7.728 0.030 . 1 . . . . 21 PHE H . 11271 1 175 . 1 1 21 21 PHE HA H 1 4.575 0.030 . 1 . . . . 21 PHE HA . 11271 1 176 . 1 1 21 21 PHE HB2 H 1 2.699 0.030 . 2 . . . . 21 PHE HB2 . 11271 1 177 . 1 1 21 21 PHE HB3 H 1 3.618 0.030 . 2 . . . . 21 PHE HB3 . 11271 1 178 . 1 1 21 21 PHE HD1 H 1 7.306 0.030 . 1 . . . . 21 PHE HD1 . 11271 1 179 . 1 1 21 21 PHE HD2 H 1 7.306 0.030 . 1 . . . . 21 PHE HD2 . 11271 1 180 . 1 1 21 21 PHE HE1 H 1 7.203 0.030 . 1 . . . . 21 PHE HE1 . 11271 1 181 . 1 1 21 21 PHE HE2 H 1 7.203 0.030 . 1 . . . . 21 PHE HE2 . 11271 1 182 . 1 1 21 21 PHE C C 13 176.179 0.300 . 1 . . . . 21 PHE C . 11271 1 183 . 1 1 21 21 PHE CA C 13 58.324 0.300 . 1 . . . . 21 PHE CA . 11271 1 184 . 1 1 21 21 PHE CB C 13 36.950 0.300 . 1 . . . . 21 PHE CB . 11271 1 185 . 1 1 21 21 PHE CD1 C 13 132.420 0.300 . 1 . . . . 21 PHE CD1 . 11271 1 186 . 1 1 21 21 PHE CD2 C 13 132.420 0.300 . 1 . . . . 21 PHE CD2 . 11271 1 187 . 1 1 21 21 PHE CE1 C 13 131.089 0.300 . 1 . . . . 21 PHE CE1 . 11271 1 188 . 1 1 21 21 PHE CE2 C 13 131.089 0.300 . 1 . . . . 21 PHE CE2 . 11271 1 189 . 1 1 21 21 PHE N N 15 121.795 0.300 . 1 . . . . 21 PHE N . 11271 1 190 . 1 1 22 22 LEU H H 1 8.394 0.030 . 1 . . . . 22 LEU H . 11271 1 191 . 1 1 22 22 LEU HA H 1 4.240 0.030 . 1 . . . . 22 LEU HA . 11271 1 192 . 1 1 22 22 LEU HB2 H 1 1.699 0.030 . 1 . . . . 22 LEU HB2 . 11271 1 193 . 1 1 22 22 LEU HB3 H 1 1.699 0.030 . 1 . . . . 22 LEU HB3 . 11271 1 194 . 1 1 22 22 LEU HD11 H 1 0.768 0.030 . 1 . . . . 22 LEU HD1 . 11271 1 195 . 1 1 22 22 LEU HD12 H 1 0.768 0.030 . 1 . . . . 22 LEU HD1 . 11271 1 196 . 1 1 22 22 LEU HD13 H 1 0.768 0.030 . 1 . . . . 22 LEU HD1 . 11271 1 197 . 1 1 22 22 LEU HD21 H 1 0.907 0.030 . 1 . . . . 22 LEU HD2 . 11271 1 198 . 1 1 22 22 LEU HD22 H 1 0.907 0.030 . 1 . . . . 22 LEU HD2 . 11271 1 199 . 1 1 22 22 LEU HD23 H 1 0.907 0.030 . 1 . . . . 22 LEU HD2 . 11271 1 200 . 1 1 22 22 LEU HG H 1 1.589 0.030 . 1 . . . . 22 LEU HG . 11271 1 201 . 1 1 22 22 LEU C C 13 177.124 0.300 . 1 . . . . 22 LEU C . 11271 1 202 . 1 1 22 22 LEU CA C 13 55.544 0.300 . 1 . . . . 22 LEU CA . 11271 1 203 . 1 1 22 22 LEU CB C 13 42.121 0.300 . 1 . . . . 22 LEU CB . 11271 1 204 . 1 1 22 22 LEU CD1 C 13 22.348 0.300 . 2 . . . . 22 LEU CD1 . 11271 1 205 . 1 1 22 22 LEU CD2 C 13 25.092 0.300 . 2 . . . . 22 LEU CD2 . 11271 1 206 . 1 1 22 22 LEU CG C 13 26.716 0.300 . 1 . . . . 22 LEU CG . 11271 1 207 . 1 1 22 22 LEU N N 15 123.114 0.300 . 1 . . . . 22 LEU N . 11271 1 208 . 1 1 23 23 ASN H H 1 9.107 0.030 . 1 . . . . 23 ASN H . 11271 1 209 . 1 1 23 23 ASN HA H 1 4.807 0.030 . 1 . . . . 23 ASN HA . 11271 1 210 . 1 1 23 23 ASN HB2 H 1 3.384 0.030 . 2 . . . . 23 ASN HB2 . 11271 1 211 . 1 1 23 23 ASN HB3 H 1 2.656 0.030 . 2 . . . . 23 ASN HB3 . 11271 1 212 . 1 1 23 23 ASN HD21 H 1 7.072 0.030 . 2 . . . . 23 ASN HD21 . 11271 1 213 . 1 1 23 23 ASN HD22 H 1 7.717 0.030 . 2 . . . . 23 ASN HD22 . 11271 1 214 . 1 1 23 23 ASN C C 13 173.683 0.300 . 1 . . . . 23 ASN C . 11271 1 215 . 1 1 23 23 ASN CA C 13 52.201 0.300 . 1 . . . . 23 ASN CA . 11271 1 216 . 1 1 23 23 ASN CB C 13 37.927 0.300 . 1 . . . . 23 ASN CB . 11271 1 217 . 1 1 23 23 ASN N N 15 121.355 0.300 . 1 . . . . 23 ASN N . 11271 1 218 . 1 1 23 23 ASN ND2 N 15 112.698 0.300 . 1 . . . . 23 ASN ND2 . 11271 1 219 . 1 1 24 24 ARG H H 1 8.438 0.030 . 1 . . . . 24 ARG H . 11271 1 220 . 1 1 24 24 ARG HA H 1 3.794 0.030 . 1 . . . . 24 ARG HA . 11271 1 221 . 1 1 24 24 ARG HB2 H 1 1.810 0.030 . 2 . . . . 24 ARG HB2 . 11271 1 222 . 1 1 24 24 ARG HB3 H 1 1.918 0.030 . 2 . . . . 24 ARG HB3 . 11271 1 223 . 1 1 24 24 ARG HD2 H 1 3.236 0.030 . 1 . . . . 24 ARG HD2 . 11271 1 224 . 1 1 24 24 ARG HD3 H 1 3.236 0.030 . 1 . . . . 24 ARG HD3 . 11271 1 225 . 1 1 24 24 ARG HG2 H 1 1.652 0.030 . 2 . . . . 24 ARG HG2 . 11271 1 226 . 1 1 24 24 ARG HG3 H 1 1.761 0.030 . 2 . . . . 24 ARG HG3 . 11271 1 227 . 1 1 24 24 ARG C C 13 177.608 0.300 . 1 . . . . 24 ARG C . 11271 1 228 . 1 1 24 24 ARG CA C 13 60.400 0.300 . 1 . . . . 24 ARG CA . 11271 1 229 . 1 1 24 24 ARG CB C 13 30.396 0.300 . 1 . . . . 24 ARG CB . 11271 1 230 . 1 1 24 24 ARG CD C 13 43.472 0.300 . 1 . . . . 24 ARG CD . 11271 1 231 . 1 1 24 24 ARG CG C 13 28.047 0.300 . 1 . . . . 24 ARG CG . 11271 1 232 . 1 1 24 24 ARG N N 15 126.653 0.300 . 1 . . . . 24 ARG N . 11271 1 233 . 1 1 25 25 GLU H H 1 8.208 0.030 . 1 . . . . 25 GLU H . 11271 1 234 . 1 1 25 25 GLU HA H 1 4.029 0.030 . 1 . . . . 25 GLU HA . 11271 1 235 . 1 1 25 25 GLU HB2 H 1 2.012 0.030 . 2 . . . . 25 GLU HB2 . 11271 1 236 . 1 1 25 25 GLU HB3 H 1 2.125 0.030 . 2 . . . . 25 GLU HB3 . 11271 1 237 . 1 1 25 25 GLU HG2 H 1 2.318 0.030 . 1 . . . . 25 GLU HG2 . 11271 1 238 . 1 1 25 25 GLU HG3 H 1 2.318 0.030 . 1 . . . . 25 GLU HG3 . 11271 1 239 . 1 1 25 25 GLU C C 13 179.086 0.300 . 1 . . . . 25 GLU C . 11271 1 240 . 1 1 25 25 GLU CA C 13 59.977 0.300 . 1 . . . . 25 GLU CA . 11271 1 241 . 1 1 25 25 GLU CB C 13 29.128 0.300 . 1 . . . . 25 GLU CB . 11271 1 242 . 1 1 25 25 GLU CG C 13 36.691 0.300 . 1 . . . . 25 GLU CG . 11271 1 243 . 1 1 25 25 GLU N N 15 117.826 0.300 . 1 . . . . 25 GLU N . 11271 1 244 . 1 1 26 26 ALA H H 1 7.625 0.030 . 1 . . . . 26 ALA H . 11271 1 245 . 1 1 26 26 ALA HA H 1 4.014 0.030 . 1 . . . . 26 ALA HA . 11271 1 246 . 1 1 26 26 ALA HB1 H 1 1.350 0.030 . 1 . . . . 26 ALA HB . 11271 1 247 . 1 1 26 26 ALA HB2 H 1 1.350 0.030 . 1 . . . . 26 ALA HB . 11271 1 248 . 1 1 26 26 ALA HB3 H 1 1.350 0.030 . 1 . . . . 26 ALA HB . 11271 1 249 . 1 1 26 26 ALA C C 13 180.831 0.300 . 1 . . . . 26 ALA C . 11271 1 250 . 1 1 26 26 ALA CA C 13 54.451 0.300 . 1 . . . . 26 ALA CA . 11271 1 251 . 1 1 26 26 ALA CB C 13 17.498 0.300 . 1 . . . . 26 ALA CB . 11271 1 252 . 1 1 26 26 ALA N N 15 123.214 0.300 . 1 . . . . 26 ALA N . 11271 1 253 . 1 1 27 27 ASN H H 1 8.512 0.030 . 1 . . . . 27 ASN H . 11271 1 254 . 1 1 27 27 ASN HA H 1 4.115 0.030 . 1 . . . . 27 ASN HA . 11271 1 255 . 1 1 27 27 ASN HB2 H 1 2.341 0.030 . 2 . . . . 27 ASN HB2 . 11271 1 256 . 1 1 27 27 ASN HB3 H 1 2.964 0.030 . 2 . . . . 27 ASN HB3 . 11271 1 257 . 1 1 27 27 ASN HD21 H 1 6.476 0.030 . 2 . . . . 27 ASN HD21 . 11271 1 258 . 1 1 27 27 ASN HD22 H 1 7.116 0.030 . 2 . . . . 27 ASN HD22 . 11271 1 259 . 1 1 27 27 ASN C C 13 177.075 0.300 . 1 . . . . 27 ASN C . 11271 1 260 . 1 1 27 27 ASN CA C 13 55.552 0.300 . 1 . . . . 27 ASN CA . 11271 1 261 . 1 1 27 27 ASN CB C 13 38.010 0.300 . 1 . . . . 27 ASN CB . 11271 1 262 . 1 1 27 27 ASN N N 15 120.369 0.300 . 1 . . . . 27 ASN N . 11271 1 263 . 1 1 27 27 ASN ND2 N 15 105.114 0.300 . 1 . . . . 27 ASN ND2 . 11271 1 264 . 1 1 28 28 LEU H H 1 8.302 0.030 . 1 . . . . 28 LEU H . 11271 1 265 . 1 1 28 28 LEU HA H 1 3.892 0.030 . 1 . . . . 28 LEU HA . 11271 1 266 . 1 1 28 28 LEU HB2 H 1 1.620 0.030 . 2 . . . . 28 LEU HB2 . 11271 1 267 . 1 1 28 28 LEU HB3 H 1 1.896 0.030 . 2 . . . . 28 LEU HB3 . 11271 1 268 . 1 1 28 28 LEU HD11 H 1 1.002 0.030 . 1 . . . . 28 LEU HD1 . 11271 1 269 . 1 1 28 28 LEU HD12 H 1 1.002 0.030 . 1 . . . . 28 LEU HD1 . 11271 1 270 . 1 1 28 28 LEU HD13 H 1 1.002 0.030 . 1 . . . . 28 LEU HD1 . 11271 1 271 . 1 1 28 28 LEU HD21 H 1 1.003 0.030 . 1 . . . . 28 LEU HD2 . 11271 1 272 . 1 1 28 28 LEU HD22 H 1 1.003 0.030 . 1 . . . . 28 LEU HD2 . 11271 1 273 . 1 1 28 28 LEU HD23 H 1 1.003 0.030 . 1 . . . . 28 LEU HD2 . 11271 1 274 . 1 1 28 28 LEU HG H 1 1.671 0.030 . 1 . . . . 28 LEU HG . 11271 1 275 . 1 1 28 28 LEU C C 13 178.020 0.300 . 1 . . . . 28 LEU C . 11271 1 276 . 1 1 28 28 LEU CA C 13 58.148 0.300 . 1 . . . . 28 LEU CA . 11271 1 277 . 1 1 28 28 LEU CB C 13 41.546 0.300 . 1 . . . . 28 LEU CB . 11271 1 278 . 1 1 28 28 LEU CD1 C 13 25.540 0.300 . 2 . . . . 28 LEU CD1 . 11271 1 279 . 1 1 28 28 LEU CD2 C 13 23.848 0.300 . 2 . . . . 28 LEU CD2 . 11271 1 280 . 1 1 28 28 LEU CG C 13 26.964 0.300 . 1 . . . . 28 LEU CG . 11271 1 281 . 1 1 28 28 LEU N N 15 120.574 0.300 . 1 . . . . 28 LEU N . 11271 1 282 . 1 1 29 29 GLN H H 1 7.827 0.030 . 1 . . . . 29 GLN H . 11271 1 283 . 1 1 29 29 GLN HA H 1 3.892 0.030 . 1 . . . . 29 GLN HA . 11271 1 284 . 1 1 29 29 GLN HB2 H 1 2.085 0.030 . 1 . . . . 29 GLN HB2 . 11271 1 285 . 1 1 29 29 GLN HB3 H 1 2.085 0.030 . 1 . . . . 29 GLN HB3 . 11271 1 286 . 1 1 29 29 GLN HE21 H 1 6.855 0.030 . 2 . . . . 29 GLN HE21 . 11271 1 287 . 1 1 29 29 GLN HE22 H 1 7.584 0.030 . 2 . . . . 29 GLN HE22 . 11271 1 288 . 1 1 29 29 GLN HG2 H 1 2.457 0.030 . 2 . . . . 29 GLN HG2 . 11271 1 289 . 1 1 29 29 GLN HG3 H 1 2.516 0.030 . 2 . . . . 29 GLN HG3 . 11271 1 290 . 1 1 29 29 GLN C C 13 179.328 0.300 . 1 . . . . 29 GLN C . 11271 1 291 . 1 1 29 29 GLN CA C 13 58.887 0.300 . 1 . . . . 29 GLN CA . 11271 1 292 . 1 1 29 29 GLN CB C 13 28.011 0.300 . 1 . . . . 29 GLN CB . 11271 1 293 . 1 1 29 29 GLN CG C 13 33.746 0.300 . 1 . . . . 29 GLN CG . 11271 1 294 . 1 1 29 29 GLN N N 15 116.048 0.300 . 1 . . . . 29 GLN N . 11271 1 295 . 1 1 29 29 GLN NE2 N 15 112.663 0.300 . 1 . . . . 29 GLN NE2 . 11271 1 296 . 1 1 30 30 ALA H H 1 8.010 0.030 . 1 . . . . 30 ALA H . 11271 1 297 . 1 1 30 30 ALA HA H 1 4.023 0.030 . 1 . . . . 30 ALA HA . 11271 1 298 . 1 1 30 30 ALA HB1 H 1 1.354 0.030 . 1 . . . . 30 ALA HB . 11271 1 299 . 1 1 30 30 ALA HB2 H 1 1.354 0.030 . 1 . . . . 30 ALA HB . 11271 1 300 . 1 1 30 30 ALA HB3 H 1 1.354 0.030 . 1 . . . . 30 ALA HB . 11271 1 301 . 1 1 30 30 ALA C C 13 178.699 0.300 . 1 . . . . 30 ALA C . 11271 1 302 . 1 1 30 30 ALA CA C 13 55.365 0.300 . 1 . . . . 30 ALA CA . 11271 1 303 . 1 1 30 30 ALA CB C 13 17.836 0.300 . 1 . . . . 30 ALA CB . 11271 1 304 . 1 1 30 30 ALA N N 15 122.169 0.300 . 1 . . . . 30 ALA N . 11271 1 305 . 1 1 31 31 LEU H H 1 7.978 0.030 . 1 . . . . 31 LEU H . 11271 1 306 . 1 1 31 31 LEU HA H 1 3.756 0.030 . 1 . . . . 31 LEU HA . 11271 1 307 . 1 1 31 31 LEU HB2 H 1 0.189 0.030 . 2 . . . . 31 LEU HB2 . 11271 1 308 . 1 1 31 31 LEU HB3 H 1 1.535 0.030 . 2 . . . . 31 LEU HB3 . 11271 1 309 . 1 1 31 31 LEU HD11 H 1 0.303 0.030 . 1 . . . . 31 LEU HD1 . 11271 1 310 . 1 1 31 31 LEU HD12 H 1 0.303 0.030 . 1 . . . . 31 LEU HD1 . 11271 1 311 . 1 1 31 31 LEU HD13 H 1 0.303 0.030 . 1 . . . . 31 LEU HD1 . 11271 1 312 . 1 1 31 31 LEU HD21 H 1 0.523 0.030 . 1 . . . . 31 LEU HD2 . 11271 1 313 . 1 1 31 31 LEU HD22 H 1 0.523 0.030 . 1 . . . . 31 LEU HD2 . 11271 1 314 . 1 1 31 31 LEU HD23 H 1 0.523 0.030 . 1 . . . . 31 LEU HD2 . 11271 1 315 . 1 1 31 31 LEU HG H 1 1.407 0.030 . 1 . . . . 31 LEU HG . 11271 1 316 . 1 1 31 31 LEU C C 13 179.498 0.300 . 1 . . . . 31 LEU C . 11271 1 317 . 1 1 31 31 LEU CA C 13 56.846 0.300 . 1 . . . . 31 LEU CA . 11271 1 318 . 1 1 31 31 LEU CB C 13 41.756 0.300 . 1 . . . . 31 LEU CB . 11271 1 319 . 1 1 31 31 LEU CD1 C 13 23.121 0.300 . 2 . . . . 31 LEU CD1 . 11271 1 320 . 1 1 31 31 LEU CD2 C 13 27.235 0.300 . 2 . . . . 31 LEU CD2 . 11271 1 321 . 1 1 31 31 LEU CG C 13 26.576 0.300 . 1 . . . . 31 LEU CG . 11271 1 322 . 1 1 31 31 LEU N N 15 117.550 0.300 . 1 . . . . 31 LEU N . 11271 1 323 . 1 1 32 32 ILE H H 1 8.602 0.030 . 1 . . . . 32 ILE H . 11271 1 324 . 1 1 32 32 ILE HA H 1 3.685 0.030 . 1 . . . . 32 ILE HA . 11271 1 325 . 1 1 32 32 ILE HB H 1 1.809 0.030 . 1 . . . . 32 ILE HB . 11271 1 326 . 1 1 32 32 ILE HD11 H 1 0.872 0.030 . 1 . . . . 32 ILE HD1 . 11271 1 327 . 1 1 32 32 ILE HD12 H 1 0.872 0.030 . 1 . . . . 32 ILE HD1 . 11271 1 328 . 1 1 32 32 ILE HD13 H 1 0.872 0.030 . 1 . . . . 32 ILE HD1 . 11271 1 329 . 1 1 32 32 ILE HG12 H 1 1.154 0.030 . 2 . . . . 32 ILE HG12 . 11271 1 330 . 1 1 32 32 ILE HG13 H 1 1.809 0.030 . 2 . . . . 32 ILE HG13 . 11271 1 331 . 1 1 32 32 ILE HG21 H 1 0.945 0.030 . 1 . . . . 32 ILE HG2 . 11271 1 332 . 1 1 32 32 ILE HG22 H 1 0.945 0.030 . 1 . . . . 32 ILE HG2 . 11271 1 333 . 1 1 32 32 ILE HG23 H 1 0.945 0.030 . 1 . . . . 32 ILE HG2 . 11271 1 334 . 1 1 32 32 ILE C C 13 180.176 0.300 . 1 . . . . 32 ILE C . 11271 1 335 . 1 1 32 32 ILE CA C 13 65.607 0.300 . 1 . . . . 32 ILE CA . 11271 1 336 . 1 1 32 32 ILE CB C 13 38.377 0.300 . 1 . . . . 32 ILE CB . 11271 1 337 . 1 1 32 32 ILE CD1 C 13 13.833 0.300 . 1 . . . . 32 ILE CD1 . 11271 1 338 . 1 1 32 32 ILE CG1 C 13 30.164 0.300 . 1 . . . . 32 ILE CG1 . 11271 1 339 . 1 1 32 32 ILE CG2 C 13 16.850 0.300 . 1 . . . . 32 ILE CG2 . 11271 1 340 . 1 1 32 32 ILE N N 15 120.675 0.300 . 1 . . . . 32 ILE N . 11271 1 341 . 1 1 33 33 ALA H H 1 7.714 0.030 . 1 . . . . 33 ALA H . 11271 1 342 . 1 1 33 33 ALA HA H 1 4.209 0.030 . 1 . . . . 33 ALA HA . 11271 1 343 . 1 1 33 33 ALA HB1 H 1 1.561 0.030 . 1 . . . . 33 ALA HB . 11271 1 344 . 1 1 33 33 ALA HB2 H 1 1.561 0.030 . 1 . . . . 33 ALA HB . 11271 1 345 . 1 1 33 33 ALA HB3 H 1 1.561 0.030 . 1 . . . . 33 ALA HB . 11271 1 346 . 1 1 33 33 ALA C C 13 179.425 0.300 . 1 . . . . 33 ALA C . 11271 1 347 . 1 1 33 33 ALA CA C 13 54.700 0.300 . 1 . . . . 33 ALA CA . 11271 1 348 . 1 1 33 33 ALA CB C 13 18.373 0.300 . 1 . . . . 33 ALA CB . 11271 1 349 . 1 1 33 33 ALA N N 15 121.483 0.300 . 1 . . . . 33 ALA N . 11271 1 350 . 1 1 34 34 THR H H 1 7.835 0.030 . 1 . . . . 34 THR H . 11271 1 351 . 1 1 34 34 THR HA H 1 4.570 0.030 . 1 . . . . 34 THR HA . 11271 1 352 . 1 1 34 34 THR HB H 1 4.678 0.030 . 1 . . . . 34 THR HB . 11271 1 353 . 1 1 34 34 THR HG21 H 1 1.005 0.030 . 1 . . . . 34 THR HG2 . 11271 1 354 . 1 1 34 34 THR HG22 H 1 1.005 0.030 . 1 . . . . 34 THR HG2 . 11271 1 355 . 1 1 34 34 THR HG23 H 1 1.005 0.030 . 1 . . . . 34 THR HG2 . 11271 1 356 . 1 1 34 34 THR C C 13 176.203 0.300 . 1 . . . . 34 THR C . 11271 1 357 . 1 1 34 34 THR CA C 13 60.588 0.300 . 1 . . . . 34 THR CA . 11271 1 358 . 1 1 34 34 THR CB C 13 69.328 0.300 . 1 . . . . 34 THR CB . 11271 1 359 . 1 1 34 34 THR CG2 C 13 20.806 0.300 . 1 . . . . 34 THR CG2 . 11271 1 360 . 1 1 34 34 THR N N 15 106.008 0.300 . 1 . . . . 34 THR N . 11271 1 361 . 1 1 35 35 GLY H H 1 7.738 0.030 . 1 . . . . 35 GLY H . 11271 1 362 . 1 1 35 35 GLY HA2 H 1 4.047 0.030 . 1 . . . . 35 GLY HA2 . 11271 1 363 . 1 1 35 35 GLY HA3 H 1 4.047 0.030 . 1 . . . . 35 GLY HA3 . 11271 1 364 . 1 1 35 35 GLY C C 13 176.033 0.300 . 1 . . . . 35 GLY C . 11271 1 365 . 1 1 35 35 GLY CA C 13 46.891 0.300 . 1 . . . . 35 GLY CA . 11271 1 366 . 1 1 35 35 GLY N N 15 112.217 0.300 . 1 . . . . 35 GLY N . 11271 1 367 . 1 1 36 36 GLY H H 1 9.089 0.030 . 1 . . . . 36 GLY H . 11271 1 368 . 1 1 36 36 GLY HA2 H 1 2.749 0.030 . 2 . . . . 36 GLY HA2 . 11271 1 369 . 1 1 36 36 GLY HA3 H 1 4.179 0.030 . 2 . . . . 36 GLY HA3 . 11271 1 370 . 1 1 36 36 GLY C C 13 172.036 0.300 . 1 . . . . 36 GLY C . 11271 1 371 . 1 1 36 36 GLY CA C 13 45.551 0.300 . 1 . . . . 36 GLY CA . 11271 1 372 . 1 1 36 36 GLY N N 15 105.847 0.300 . 1 . . . . 36 GLY N . 11271 1 373 . 1 1 37 37 ASP H H 1 6.926 0.030 . 1 . . . . 37 ASP H . 11271 1 374 . 1 1 37 37 ASP HA H 1 4.611 0.030 . 1 . . . . 37 ASP HA . 11271 1 375 . 1 1 37 37 ASP HB2 H 1 2.862 0.030 . 2 . . . . 37 ASP HB2 . 11271 1 376 . 1 1 37 37 ASP HB3 H 1 2.605 0.030 . 2 . . . . 37 ASP HB3 . 11271 1 377 . 1 1 37 37 ASP C C 13 176.712 0.300 . 1 . . . . 37 ASP C . 11271 1 378 . 1 1 37 37 ASP CA C 13 53.516 0.300 . 1 . . . . 37 ASP CA . 11271 1 379 . 1 1 37 37 ASP CB C 13 41.946 0.300 . 1 . . . . 37 ASP CB . 11271 1 380 . 1 1 37 37 ASP N N 15 120.258 0.300 . 1 . . . . 37 ASP N . 11271 1 381 . 1 1 38 38 VAL H H 1 8.853 0.030 . 1 . . . . 38 VAL H . 11271 1 382 . 1 1 38 38 VAL HA H 1 3.309 0.030 . 1 . . . . 38 VAL HA . 11271 1 383 . 1 1 38 38 VAL HB H 1 1.956 0.030 . 1 . . . . 38 VAL HB . 11271 1 384 . 1 1 38 38 VAL HG11 H 1 0.838 0.030 . 1 . . . . 38 VAL HG1 . 11271 1 385 . 1 1 38 38 VAL HG12 H 1 0.838 0.030 . 1 . . . . 38 VAL HG1 . 11271 1 386 . 1 1 38 38 VAL HG13 H 1 0.838 0.030 . 1 . . . . 38 VAL HG1 . 11271 1 387 . 1 1 38 38 VAL HG21 H 1 1.003 0.030 . 1 . . . . 38 VAL HG2 . 11271 1 388 . 1 1 38 38 VAL HG22 H 1 1.003 0.030 . 1 . . . . 38 VAL HG2 . 11271 1 389 . 1 1 38 38 VAL HG23 H 1 1.003 0.030 . 1 . . . . 38 VAL HG2 . 11271 1 390 . 1 1 38 38 VAL C C 13 176.009 0.300 . 1 . . . . 38 VAL C . 11271 1 391 . 1 1 38 38 VAL CA C 13 67.050 0.300 . 1 . . . . 38 VAL CA . 11271 1 392 . 1 1 38 38 VAL CB C 13 32.058 0.300 . 1 . . . . 38 VAL CB . 11271 1 393 . 1 1 38 38 VAL CG1 C 13 20.721 0.300 . 2 . . . . 38 VAL CG1 . 11271 1 394 . 1 1 38 38 VAL CG2 C 13 23.526 0.300 . 2 . . . . 38 VAL CG2 . 11271 1 395 . 1 1 38 38 VAL N N 15 130.447 0.300 . 1 . . . . 38 VAL N . 11271 1 396 . 1 1 39 39 ASP H H 1 7.967 0.030 . 1 . . . . 39 ASP H . 11271 1 397 . 1 1 39 39 ASP HA H 1 4.264 0.030 . 1 . . . . 39 ASP HA . 11271 1 398 . 1 1 39 39 ASP HB2 H 1 2.596 0.030 . 2 . . . . 39 ASP HB2 . 11271 1 399 . 1 1 39 39 ASP HB3 H 1 2.698 0.030 . 2 . . . . 39 ASP HB3 . 11271 1 400 . 1 1 39 39 ASP C C 13 179.377 0.300 . 1 . . . . 39 ASP C . 11271 1 401 . 1 1 39 39 ASP CA C 13 57.937 0.300 . 1 . . . . 39 ASP CA . 11271 1 402 . 1 1 39 39 ASP CB C 13 40.027 0.300 . 1 . . . . 39 ASP CB . 11271 1 403 . 1 1 39 39 ASP N N 15 120.219 0.300 . 1 . . . . 39 ASP N . 11271 1 404 . 1 1 40 40 ALA H H 1 8.197 0.030 . 1 . . . . 40 ALA H . 11271 1 405 . 1 1 40 40 ALA HA H 1 4.173 0.030 . 1 . . . . 40 ALA HA . 11271 1 406 . 1 1 40 40 ALA HB1 H 1 1.406 0.030 . 1 . . . . 40 ALA HB . 11271 1 407 . 1 1 40 40 ALA HB2 H 1 1.406 0.030 . 1 . . . . 40 ALA HB . 11271 1 408 . 1 1 40 40 ALA HB3 H 1 1.406 0.030 . 1 . . . . 40 ALA HB . 11271 1 409 . 1 1 40 40 ALA C C 13 180.588 0.300 . 1 . . . . 40 ALA C . 11271 1 410 . 1 1 40 40 ALA CA C 13 54.156 0.300 . 1 . . . . 40 ALA CA . 11271 1 411 . 1 1 40 40 ALA CB C 13 18.268 0.300 . 1 . . . . 40 ALA CB . 11271 1 412 . 1 1 40 40 ALA N N 15 122.279 0.300 . 1 . . . . 40 ALA N . 11271 1 413 . 1 1 41 41 ALA H H 1 8.258 0.030 . 1 . . . . 41 ALA H . 11271 1 414 . 1 1 41 41 ALA HA H 1 3.724 0.030 . 1 . . . . 41 ALA HA . 11271 1 415 . 1 1 41 41 ALA HB1 H 1 1.212 0.030 . 1 . . . . 41 ALA HB . 11271 1 416 . 1 1 41 41 ALA HB2 H 1 1.212 0.030 . 1 . . . . 41 ALA HB . 11271 1 417 . 1 1 41 41 ALA HB3 H 1 1.212 0.030 . 1 . . . . 41 ALA HB . 11271 1 418 . 1 1 41 41 ALA C C 13 178.553 0.300 . 1 . . . . 41 ALA C . 11271 1 419 . 1 1 41 41 ALA CA C 13 55.399 0.300 . 1 . . . . 41 ALA CA . 11271 1 420 . 1 1 41 41 ALA CB C 13 17.294 0.300 . 1 . . . . 41 ALA CB . 11271 1 421 . 1 1 41 41 ALA N N 15 123.930 0.300 . 1 . . . . 41 ALA N . 11271 1 422 . 1 1 42 42 VAL H H 1 8.431 0.030 . 1 . . . . 42 VAL H . 11271 1 423 . 1 1 42 42 VAL HA H 1 2.958 0.030 . 1 . . . . 42 VAL HA . 11271 1 424 . 1 1 42 42 VAL HB H 1 2.170 0.030 . 1 . . . . 42 VAL HB . 11271 1 425 . 1 1 42 42 VAL HG11 H 1 0.937 0.030 . 1 . . . . 42 VAL HG1 . 11271 1 426 . 1 1 42 42 VAL HG12 H 1 0.937 0.030 . 1 . . . . 42 VAL HG1 . 11271 1 427 . 1 1 42 42 VAL HG13 H 1 0.937 0.030 . 1 . . . . 42 VAL HG1 . 11271 1 428 . 1 1 42 42 VAL HG21 H 1 0.931 0.030 . 1 . . . . 42 VAL HG2 . 11271 1 429 . 1 1 42 42 VAL HG22 H 1 0.931 0.030 . 1 . . . . 42 VAL HG2 . 11271 1 430 . 1 1 42 42 VAL HG23 H 1 0.931 0.030 . 1 . . . . 42 VAL HG2 . 11271 1 431 . 1 1 42 42 VAL C C 13 177.463 0.300 . 1 . . . . 42 VAL C . 11271 1 432 . 1 1 42 42 VAL CA C 13 66.942 0.300 . 1 . . . . 42 VAL CA . 11271 1 433 . 1 1 42 42 VAL CB C 13 31.678 0.300 . 1 . . . . 42 VAL CB . 11271 1 434 . 1 1 42 42 VAL CG1 C 13 21.179 0.300 . 2 . . . . 42 VAL CG1 . 11271 1 435 . 1 1 42 42 VAL CG2 C 13 24.186 0.300 . 2 . . . . 42 VAL CG2 . 11271 1 436 . 1 1 42 42 VAL N N 15 118.874 0.300 . 1 . . . . 42 VAL N . 11271 1 437 . 1 1 43 43 GLU H H 1 7.089 0.030 . 1 . . . . 43 GLU H . 11271 1 438 . 1 1 43 43 GLU HA H 1 3.982 0.030 . 1 . . . . 43 GLU HA . 11271 1 439 . 1 1 43 43 GLU HB2 H 1 2.065 0.030 . 1 . . . . 43 GLU HB2 . 11271 1 440 . 1 1 43 43 GLU HB3 H 1 2.065 0.030 . 1 . . . . 43 GLU HB3 . 11271 1 441 . 1 1 43 43 GLU HG2 H 1 2.257 0.030 . 2 . . . . 43 GLU HG2 . 11271 1 442 . 1 1 43 43 GLU HG3 H 1 2.350 0.030 . 2 . . . . 43 GLU HG3 . 11271 1 443 . 1 1 43 43 GLU C C 13 179.135 0.300 . 1 . . . . 43 GLU C . 11271 1 444 . 1 1 43 43 GLU CA C 13 59.274 0.300 . 1 . . . . 43 GLU CA . 11271 1 445 . 1 1 43 43 GLU CB C 13 29.046 0.300 . 1 . . . . 43 GLU CB . 11271 1 446 . 1 1 43 43 GLU CG C 13 35.903 0.300 . 1 . . . . 43 GLU CG . 11271 1 447 . 1 1 43 43 GLU N N 15 116.738 0.300 . 1 . . . . 43 GLU N . 11271 1 448 . 1 1 44 44 LYS H H 1 7.427 0.030 . 1 . . . . 44 LYS H . 11271 1 449 . 1 1 44 44 LYS HA H 1 4.035 0.030 . 1 . . . . 44 LYS HA . 11271 1 450 . 1 1 44 44 LYS HB2 H 1 1.886 0.030 . 1 . . . . 44 LYS HB2 . 11271 1 451 . 1 1 44 44 LYS HB3 H 1 1.886 0.030 . 1 . . . . 44 LYS HB3 . 11271 1 452 . 1 1 44 44 LYS HD2 H 1 1.572 0.030 . 1 . . . . 44 LYS HD2 . 11271 1 453 . 1 1 44 44 LYS HD3 H 1 1.572 0.030 . 1 . . . . 44 LYS HD3 . 11271 1 454 . 1 1 44 44 LYS HE2 H 1 2.830 0.030 . 2 . . . . 44 LYS HE2 . 11271 1 455 . 1 1 44 44 LYS HE3 H 1 2.876 0.030 . 2 . . . . 44 LYS HE3 . 11271 1 456 . 1 1 44 44 LYS HG2 H 1 1.449 0.030 . 1 . . . . 44 LYS HG2 . 11271 1 457 . 1 1 44 44 LYS HG3 H 1 1.449 0.030 . 1 . . . . 44 LYS HG3 . 11271 1 458 . 1 1 44 44 LYS C C 13 179.740 0.300 . 1 . . . . 44 LYS C . 11271 1 459 . 1 1 44 44 LYS CA C 13 58.781 0.300 . 1 . . . . 44 LYS CA . 11271 1 460 . 1 1 44 44 LYS CB C 13 32.171 0.300 . 1 . . . . 44 LYS CB . 11271 1 461 . 1 1 44 44 LYS CD C 13 28.606 0.300 . 1 . . . . 44 LYS CD . 11271 1 462 . 1 1 44 44 LYS CE C 13 41.741 0.300 . 1 . . . . 44 LYS CE . 11271 1 463 . 1 1 44 44 LYS CG C 13 24.598 0.300 . 1 . . . . 44 LYS CG . 11271 1 464 . 1 1 44 44 LYS N N 15 118.236 0.300 . 1 . . . . 44 LYS N . 11271 1 465 . 1 1 45 45 LEU H H 1 8.396 0.030 . 1 . . . . 45 LEU H . 11271 1 466 . 1 1 45 45 LEU HA H 1 3.958 0.030 . 1 . . . . 45 LEU HA . 11271 1 467 . 1 1 45 45 LEU HB2 H 1 1.129 0.030 . 2 . . . . 45 LEU HB2 . 11271 1 468 . 1 1 45 45 LEU HB3 H 1 1.348 0.030 . 2 . . . . 45 LEU HB3 . 11271 1 469 . 1 1 45 45 LEU HD11 H 1 0.745 0.030 . 1 . . . . 45 LEU HD1 . 11271 1 470 . 1 1 45 45 LEU HD12 H 1 0.745 0.030 . 1 . . . . 45 LEU HD1 . 11271 1 471 . 1 1 45 45 LEU HD13 H 1 0.745 0.030 . 1 . . . . 45 LEU HD1 . 11271 1 472 . 1 1 45 45 LEU HD21 H 1 0.238 0.030 . 1 . . . . 45 LEU HD2 . 11271 1 473 . 1 1 45 45 LEU HD22 H 1 0.238 0.030 . 1 . . . . 45 LEU HD2 . 11271 1 474 . 1 1 45 45 LEU HD23 H 1 0.238 0.030 . 1 . . . . 45 LEU HD2 . 11271 1 475 . 1 1 45 45 LEU HG H 1 1.335 0.030 . 1 . . . . 45 LEU HG . 11271 1 476 . 1 1 45 45 LEU C C 13 180.031 0.300 . 1 . . . . 45 LEU C . 11271 1 477 . 1 1 45 45 LEU CA C 13 57.338 0.300 . 1 . . . . 45 LEU CA . 11271 1 478 . 1 1 45 45 LEU CB C 13 42.532 0.300 . 1 . . . . 45 LEU CB . 11271 1 479 . 1 1 45 45 LEU CD1 C 13 22.348 0.300 . 2 . . . . 45 LEU CD1 . 11271 1 480 . 1 1 45 45 LEU CD2 C 13 26.151 0.300 . 2 . . . . 45 LEU CD2 . 11271 1 481 . 1 1 45 45 LEU CG C 13 27.045 0.300 . 1 . . . . 45 LEU CG . 11271 1 482 . 1 1 45 45 LEU N N 15 121.599 0.300 . 1 . . . . 45 LEU N . 11271 1 483 . 1 1 46 46 ARG H H 1 8.325 0.030 . 1 . . . . 46 ARG H . 11271 1 484 . 1 1 46 46 ARG HA H 1 4.274 0.030 . 1 . . . . 46 ARG HA . 11271 1 485 . 1 1 46 46 ARG HB2 H 1 1.956 0.030 . 1 . . . . 46 ARG HB2 . 11271 1 486 . 1 1 46 46 ARG HB3 H 1 1.956 0.030 . 1 . . . . 46 ARG HB3 . 11271 1 487 . 1 1 46 46 ARG HD2 H 1 3.217 0.030 . 1 . . . . 46 ARG HD2 . 11271 1 488 . 1 1 46 46 ARG HD3 H 1 3.217 0.030 . 1 . . . . 46 ARG HD3 . 11271 1 489 . 1 1 46 46 ARG HG2 H 1 1.812 0.030 . 2 . . . . 46 ARG HG2 . 11271 1 490 . 1 1 46 46 ARG HG3 H 1 1.999 0.030 . 2 . . . . 46 ARG HG3 . 11271 1 491 . 1 1 46 46 ARG C C 13 177.802 0.300 . 1 . . . . 46 ARG C . 11271 1 492 . 1 1 46 46 ARG CA C 13 58.570 0.300 . 1 . . . . 46 ARG CA . 11271 1 493 . 1 1 46 46 ARG CB C 13 30.526 0.300 . 1 . . . . 46 ARG CB . 11271 1 494 . 1 1 46 46 ARG CD C 13 43.719 0.300 . 1 . . . . 46 ARG CD . 11271 1 495 . 1 1 46 46 ARG CG C 13 28.307 0.300 . 1 . . . . 46 ARG CG . 11271 1 496 . 1 1 46 46 ARG N N 15 118.984 0.300 . 1 . . . . 46 ARG N . 11271 1 497 . 1 1 47 47 GLN H H 1 7.723 0.030 . 1 . . . . 47 GLN H . 11271 1 498 . 1 1 47 47 GLN HA H 1 4.260 0.030 . 1 . . . . 47 GLN HA . 11271 1 499 . 1 1 47 47 GLN HB2 H 1 2.127 0.030 . 2 . . . . 47 GLN HB2 . 11271 1 500 . 1 1 47 47 GLN HB3 H 1 2.193 0.030 . 2 . . . . 47 GLN HB3 . 11271 1 501 . 1 1 47 47 GLN HE21 H 1 7.544 0.030 . 2 . . . . 47 GLN HE21 . 11271 1 502 . 1 1 47 47 GLN HE22 H 1 6.836 0.030 . 2 . . . . 47 GLN HE22 . 11271 1 503 . 1 1 47 47 GLN HG2 H 1 2.450 0.030 . 2 . . . . 47 GLN HG2 . 11271 1 504 . 1 1 47 47 GLN HG3 H 1 2.562 0.030 . 2 . . . . 47 GLN HG3 . 11271 1 505 . 1 1 47 47 GLN C C 13 176.833 0.300 . 1 . . . . 47 GLN C . 11271 1 506 . 1 1 47 47 GLN CA C 13 56.921 0.300 . 1 . . . . 47 GLN CA . 11271 1 507 . 1 1 47 47 GLN CB C 13 28.717 0.300 . 1 . . . . 47 GLN CB . 11271 1 508 . 1 1 47 47 GLN CG C 13 33.911 0.300 . 1 . . . . 47 GLN CG . 11271 1 509 . 1 1 47 47 GLN N N 15 118.106 0.300 . 1 . . . . 47 GLN N . 11271 1 510 . 1 1 47 47 GLN NE2 N 15 112.105 0.300 . 1 . . . . 47 GLN NE2 . 11271 1 511 . 1 1 48 48 SER H H 1 7.963 0.030 . 1 . . . . 48 SER H . 11271 1 512 . 1 1 48 48 SER HA H 1 4.513 0.030 . 1 . . . . 48 SER HA . 11271 1 513 . 1 1 48 48 SER HB2 H 1 3.940 0.030 . 1 . . . . 48 SER HB2 . 11271 1 514 . 1 1 48 48 SER HB3 H 1 3.940 0.030 . 1 . . . . 48 SER HB3 . 11271 1 515 . 1 1 48 48 SER C C 13 174.677 0.300 . 1 . . . . 48 SER C . 11271 1 516 . 1 1 48 48 SER CA C 13 58.816 0.300 . 1 . . . . 48 SER CA . 11271 1 517 . 1 1 48 48 SER CB C 13 63.913 0.300 . 1 . . . . 48 SER CB . 11271 1 518 . 1 1 48 48 SER N N 15 114.691 0.300 . 1 . . . . 48 SER N . 11271 1 519 . 1 1 49 49 SER H H 1 8.160 0.030 . 1 . . . . 49 SER H . 11271 1 520 . 1 1 49 49 SER HA H 1 4.561 0.030 . 1 . . . . 49 SER HA . 11271 1 521 . 1 1 49 49 SER HB2 H 1 3.948 0.030 . 2 . . . . 49 SER HB2 . 11271 1 522 . 1 1 49 49 SER HB3 H 1 4.561 0.030 . 2 . . . . 49 SER HB3 . 11271 1 523 . 1 1 49 49 SER C C 13 174.555 0.300 . 1 . . . . 49 SER C . 11271 1 524 . 1 1 49 49 SER CA C 13 58.640 0.300 . 1 . . . . 49 SER CA . 11271 1 525 . 1 1 49 49 SER CB C 13 64.078 0.300 . 1 . . . . 49 SER CB . 11271 1 526 . 1 1 49 49 SER N N 15 117.359 0.300 . 1 . . . . 49 SER N . 11271 1 527 . 1 1 50 50 GLY H H 1 8.194 0.030 . 1 . . . . 50 GLY H . 11271 1 528 . 1 1 50 50 GLY C C 13 171.818 0.300 . 1 . . . . 50 GLY C . 11271 1 529 . 1 1 50 50 GLY CA C 13 44.835 0.300 . 1 . . . . 50 GLY CA . 11271 1 530 . 1 1 50 50 GLY N N 15 110.461 0.300 . 1 . . . . 50 GLY N . 11271 1 531 . 1 1 51 51 PRO HA H 1 4.460 0.030 . 1 . . . . 51 PRO HA . 11271 1 532 . 1 1 51 51 PRO HB2 H 1 1.962 0.030 . 2 . . . . 51 PRO HB2 . 11271 1 533 . 1 1 51 51 PRO HB3 H 1 2.256 0.030 . 2 . . . . 51 PRO HB3 . 11271 1 534 . 1 1 51 51 PRO HD2 H 1 3.618 0.030 . 1 . . . . 51 PRO HD2 . 11271 1 535 . 1 1 51 51 PRO HD3 H 1 3.618 0.030 . 1 . . . . 51 PRO HD3 . 11271 1 536 . 1 1 51 51 PRO HG2 H 1 2.001 0.030 . 1 . . . . 51 PRO HG2 . 11271 1 537 . 1 1 51 51 PRO HG3 H 1 2.001 0.030 . 1 . . . . 51 PRO HG3 . 11271 1 538 . 1 1 51 51 PRO C C 13 177.414 0.300 . 1 . . . . 51 PRO C . 11271 1 539 . 1 1 51 51 PRO CA C 13 63.250 0.300 . 1 . . . . 51 PRO CA . 11271 1 540 . 1 1 51 51 PRO CB C 13 32.253 0.300 . 1 . . . . 51 PRO CB . 11271 1 541 . 1 1 51 51 PRO CD C 13 49.808 0.300 . 1 . . . . 51 PRO CD . 11271 1 542 . 1 1 51 51 PRO CG C 13 27.130 0.300 . 1 . . . . 51 PRO CG . 11271 1 543 . 1 1 52 52 SER H H 1 8.543 0.030 . 1 . . . . 52 SER H . 11271 1 544 . 1 1 52 52 SER HA H 1 4.491 0.030 . 1 . . . . 52 SER HA . 11271 1 545 . 1 1 52 52 SER HB2 H 1 3.896 0.030 . 1 . . . . 52 SER HB2 . 11271 1 546 . 1 1 52 52 SER HB3 H 1 3.896 0.030 . 1 . . . . 52 SER HB3 . 11271 1 547 . 1 1 52 52 SER C C 13 174.701 0.300 . 1 . . . . 52 SER C . 11271 1 548 . 1 1 52 52 SER CA C 13 58.429 0.300 . 1 . . . . 52 SER CA . 11271 1 549 . 1 1 52 52 SER CB C 13 63.749 0.300 . 1 . . . . 52 SER CB . 11271 1 550 . 1 1 52 52 SER N N 15 116.444 0.300 . 1 . . . . 52 SER N . 11271 1 551 . 1 1 53 53 SER H H 1 8.334 0.030 . 1 . . . . 53 SER H . 11271 1 552 . 1 1 53 53 SER HA H 1 4.481 0.030 . 1 . . . . 53 SER HA . 11271 1 553 . 1 1 53 53 SER HB2 H 1 3.880 0.030 . 1 . . . . 53 SER HB2 . 11271 1 554 . 1 1 53 53 SER HB3 H 1 3.880 0.030 . 1 . . . . 53 SER HB3 . 11271 1 555 . 1 1 53 53 SER C C 13 173.950 0.300 . 1 . . . . 53 SER C . 11271 1 556 . 1 1 53 53 SER CA C 13 58.394 0.300 . 1 . . . . 53 SER CA . 11271 1 557 . 1 1 53 53 SER CB C 13 64.160 0.300 . 1 . . . . 53 SER CB . 11271 1 558 . 1 1 53 53 SER N N 15 117.861 0.300 . 1 . . . . 53 SER N . 11271 1 559 . 1 1 54 54 GLY H H 1 8.046 0.030 . 1 . . . . 54 GLY H . 11271 1 560 . 1 1 54 54 GLY C C 13 179.013 0.300 . 1 . . . . 54 GLY C . 11271 1 561 . 1 1 54 54 GLY CA C 13 46.315 0.300 . 1 . . . . 54 GLY CA . 11271 1 562 . 1 1 54 54 GLY N N 15 116.875 0.300 . 1 . . . . 54 GLY N . 11271 1 stop_ save_