data_11297 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11297 _Entry.Title ; Solusion structure of the Todor domain of human Lamin-B receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _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 M. Yoneyama . . . 11297 2 N. Tochio . . . 11297 3 S. Koshiba . . . 11297 4 M. Inoue . . . 11297 5 T. Kigawa . . . 11297 6 S. Yokoyama . . . 11297 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)' . 11297 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11297 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 258 11297 '15N chemical shifts' 59 11297 '1H chemical shifts' 408 11297 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 . . 2011-08-19 2010-08-09 original author . 11297 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DIG 'BMRB Entry Tracking System' 11297 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11297 _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 'Solusion structure of the Todor domain of human Lamin-B receptor' _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 M. Yoneyama . . . 11297 1 2 N. Tochio . . . 11297 1 3 S. Koshiba . . . 11297 1 4 M. Inoue . . . 11297 1 5 T. Kigawa . . . 11297 1 6 S. Yokoyama . . . 11297 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11297 _Assembly.ID 1 _Assembly.Name 'Lamin-B receptor' _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 'Tudor domain' 1 $entity_1 A . yes native no no . . . 11297 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 2dig . . . . . . 11297 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11297 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tudor 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 ; GSSGSSGMPSRKFADGEVVR GRWPGSSLYYEVEILSHDST SQLYTVKYKDGTELELKEND IKSGPSSG ; _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 68 _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 2DIG . "Solusion Structure Of The Todor Domain Of Human Lamin-B Receptor" . . . . . 100.00 68 100.00 100.00 2.60e-39 . . . . 11297 1 2 no DBJ BAD92751 . "lamin B receptor variant [Homo sapiens]" . . . . . 80.88 616 100.00 100.00 4.73e-28 . . . . 11297 1 3 no DBJ BAD96554 . "lamin B receptor variant [Homo sapiens]" . . . . . 80.88 615 100.00 100.00 4.70e-28 . . . . 11297 1 4 no DBJ BAG10816 . "lamin-B receptor [synthetic construct]" . . . . . 80.88 615 100.00 100.00 4.51e-28 . . . . 11297 1 5 no DBJ BAG35190 . "unnamed protein product [Homo sapiens]" . . . . . 80.88 615 100.00 100.00 4.51e-28 . . . . 11297 1 6 no DBJ BAG64605 . "unnamed protein product [Homo sapiens]" . . . . . 80.88 150 100.00 100.00 1.10e-31 . . . . 11297 1 7 no EMBL CAH92286 . "hypothetical protein [Pongo abelii]" . . . . . 80.88 615 98.18 98.18 1.70e-27 . . . . 11297 1 8 no GB AAA59494 . "lamin B receptor [Homo sapiens]" . . . . . 80.88 615 100.00 100.00 4.47e-28 . . . . 11297 1 9 no GB AAA59495 . "integral nuclear envelope inner membrane protein [Homo sapiens]" . . . . . 80.88 615 100.00 100.00 4.51e-28 . . . . 11297 1 10 no GB AAH20079 . "Lamin B receptor [Homo sapiens]" . . . . . 80.88 615 100.00 100.00 4.29e-28 . . . . 11297 1 11 no GB ABM81975 . "lamin B receptor [synthetic construct]" . . . . . 80.88 615 100.00 100.00 4.29e-28 . . . . 11297 1 12 no GB ABM85153 . "lamin B receptor [synthetic construct]" . . . . . 80.88 615 100.00 100.00 4.29e-28 . . . . 11297 1 13 no REF NP_001127533 . "lamin-B receptor [Pongo abelii]" . . . . . 80.88 615 98.18 98.18 1.70e-27 . . . . 11297 1 14 no REF NP_001248262 . "lamin-B receptor [Macaca mulatta]" . . . . . 80.88 615 100.00 100.00 4.16e-28 . . . . 11297 1 15 no REF NP_002287 . "lamin-B receptor [Homo sapiens]" . . . . . 80.88 615 100.00 100.00 4.29e-28 . . . . 11297 1 16 no REF NP_919424 . "lamin-B receptor [Homo sapiens]" . . . . . 80.88 615 100.00 100.00 4.29e-28 . . . . 11297 1 17 no REF XP_002760653 . "PREDICTED: lamin-B receptor isoform X1 [Callithrix jacchus]" . . . . . 80.88 616 100.00 100.00 4.19e-28 . . . . 11297 1 18 no SP Q14739 . "RecName: Full=Lamin-B receptor; AltName: Full=Integral nuclear envelope inner membrane protein; AltName: Full=LMN2R" . . . . . 80.88 615 100.00 100.00 4.29e-28 . . . . 11297 1 19 no SP Q5R7H4 . "RecName: Full=Lamin-B receptor; AltName: Full=Integral nuclear envelope inner membrane protein" . . . . . 80.88 615 98.18 98.18 1.70e-27 . . . . 11297 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Tudor domain' . 11297 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 . 11297 1 2 . SER . 11297 1 3 . SER . 11297 1 4 . GLY . 11297 1 5 . SER . 11297 1 6 . SER . 11297 1 7 . GLY . 11297 1 8 . MET . 11297 1 9 . PRO . 11297 1 10 . SER . 11297 1 11 . ARG . 11297 1 12 . LYS . 11297 1 13 . PHE . 11297 1 14 . ALA . 11297 1 15 . ASP . 11297 1 16 . GLY . 11297 1 17 . GLU . 11297 1 18 . VAL . 11297 1 19 . VAL . 11297 1 20 . ARG . 11297 1 21 . GLY . 11297 1 22 . ARG . 11297 1 23 . TRP . 11297 1 24 . PRO . 11297 1 25 . GLY . 11297 1 26 . SER . 11297 1 27 . SER . 11297 1 28 . LEU . 11297 1 29 . TYR . 11297 1 30 . TYR . 11297 1 31 . GLU . 11297 1 32 . VAL . 11297 1 33 . GLU . 11297 1 34 . ILE . 11297 1 35 . LEU . 11297 1 36 . SER . 11297 1 37 . HIS . 11297 1 38 . ASP . 11297 1 39 . SER . 11297 1 40 . THR . 11297 1 41 . SER . 11297 1 42 . GLN . 11297 1 43 . LEU . 11297 1 44 . TYR . 11297 1 45 . THR . 11297 1 46 . VAL . 11297 1 47 . LYS . 11297 1 48 . TYR . 11297 1 49 . LYS . 11297 1 50 . ASP . 11297 1 51 . GLY . 11297 1 52 . THR . 11297 1 53 . GLU . 11297 1 54 . LEU . 11297 1 55 . GLU . 11297 1 56 . LEU . 11297 1 57 . LYS . 11297 1 58 . GLU . 11297 1 59 . ASN . 11297 1 60 . ASP . 11297 1 61 . ILE . 11297 1 62 . LYS . 11297 1 63 . SER . 11297 1 64 . GLY . 11297 1 65 . PRO . 11297 1 66 . SER . 11297 1 67 . SER . 11297 1 68 . GLY . 11297 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 11297 1 . SER 2 2 11297 1 . SER 3 3 11297 1 . GLY 4 4 11297 1 . SER 5 5 11297 1 . SER 6 6 11297 1 . GLY 7 7 11297 1 . MET 8 8 11297 1 . PRO 9 9 11297 1 . SER 10 10 11297 1 . ARG 11 11 11297 1 . LYS 12 12 11297 1 . PHE 13 13 11297 1 . ALA 14 14 11297 1 . ASP 15 15 11297 1 . GLY 16 16 11297 1 . GLU 17 17 11297 1 . VAL 18 18 11297 1 . VAL 19 19 11297 1 . ARG 20 20 11297 1 . GLY 21 21 11297 1 . ARG 22 22 11297 1 . TRP 23 23 11297 1 . PRO 24 24 11297 1 . GLY 25 25 11297 1 . SER 26 26 11297 1 . SER 27 27 11297 1 . LEU 28 28 11297 1 . TYR 29 29 11297 1 . TYR 30 30 11297 1 . GLU 31 31 11297 1 . VAL 32 32 11297 1 . GLU 33 33 11297 1 . ILE 34 34 11297 1 . LEU 35 35 11297 1 . SER 36 36 11297 1 . HIS 37 37 11297 1 . ASP 38 38 11297 1 . SER 39 39 11297 1 . THR 40 40 11297 1 . SER 41 41 11297 1 . GLN 42 42 11297 1 . LEU 43 43 11297 1 . TYR 44 44 11297 1 . THR 45 45 11297 1 . VAL 46 46 11297 1 . LYS 47 47 11297 1 . TYR 48 48 11297 1 . LYS 49 49 11297 1 . ASP 50 50 11297 1 . GLY 51 51 11297 1 . THR 52 52 11297 1 . GLU 53 53 11297 1 . LEU 54 54 11297 1 . GLU 55 55 11297 1 . LEU 56 56 11297 1 . LYS 57 57 11297 1 . GLU 58 58 11297 1 . ASN 59 59 11297 1 . ASP 60 60 11297 1 . ILE 61 61 11297 1 . LYS 62 62 11297 1 . SER 63 63 11297 1 . GLY 64 64 11297 1 . PRO 65 65 11297 1 . SER 66 66 11297 1 . SER 67 67 11297 1 . GLY 68 68 11297 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 11297 _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 . . . . . . . . . . . . . . . . . . . . . 11297 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 11297 _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 . . P050905-15 . . . . . . 11297 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11297 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.17mM Tudor domain {U-15N,13C;} 20mM d-Tris HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 'Tudor domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.17 . . mM . . . . 11297 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11297 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11297 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11297 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11297 1 6 H2O . . . . . . solvent 90 . . % . . . . 11297 1 7 D2O . . . . . . solvent 10 . . % . . . . 11297 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 11297 _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 11297 1 pH 7.0 0.05 pH 11297 1 pressure 1 0.001 atm 11297 1 temperature 296 0.1 K 11297 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11297 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11297 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11297 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11297 _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.' . . 11297 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11297 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11297 _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.' . . 11297 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11297 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11297 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9736 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11297 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11297 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11297 _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.' . . 11297 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11297 5 'structure solution' 11297 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 11297 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11297 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11297 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 11297 _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 . . . . . . . . . . . . . . . . 11297 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11297 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 11297 _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 . . . . . . . . . 11297 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11297 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11297 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 11297 _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 11297 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11297 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 . . 11297 1 2 $NMRPipe . . 11297 1 3 $NMRVIEW . . 11297 1 4 $Kujira . . 11297 1 5 $CYANA . . 11297 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.946 0.030 . 1 . . . . 7 GLY HA2 . 11297 1 2 . 1 1 7 7 GLY HA3 H 1 3.946 0.030 . 1 . . . . 7 GLY HA3 . 11297 1 3 . 1 1 7 7 GLY CA C 13 45.169 0.300 . 1 . . . . 7 GLY CA . 11297 1 4 . 1 1 8 8 MET H H 1 8.145 0.030 . 1 . . . . 8 MET H . 11297 1 5 . 1 1 8 8 MET HA H 1 4.814 0.030 . 1 . . . . 8 MET HA . 11297 1 6 . 1 1 8 8 MET HB2 H 1 2.049 0.030 . 2 . . . . 8 MET HB2 . 11297 1 7 . 1 1 8 8 MET HB3 H 1 1.939 0.030 . 2 . . . . 8 MET HB3 . 11297 1 8 . 1 1 8 8 MET HE1 H 1 2.109 0.030 . 1 . . . . 8 MET HE . 11297 1 9 . 1 1 8 8 MET HE2 H 1 2.109 0.030 . 1 . . . . 8 MET HE . 11297 1 10 . 1 1 8 8 MET HE3 H 1 2.109 0.030 . 1 . . . . 8 MET HE . 11297 1 11 . 1 1 8 8 MET HG2 H 1 2.626 0.030 . 2 . . . . 8 MET HG2 . 11297 1 12 . 1 1 8 8 MET HG3 H 1 2.539 0.030 . 2 . . . . 8 MET HG3 . 11297 1 13 . 1 1 8 8 MET CA C 13 53.250 0.300 . 1 . . . . 8 MET CA . 11297 1 14 . 1 1 8 8 MET CB C 13 32.270 0.300 . 1 . . . . 8 MET CB . 11297 1 15 . 1 1 8 8 MET CE C 13 17.112 0.300 . 1 . . . . 8 MET CE . 11297 1 16 . 1 1 8 8 MET CG C 13 32.192 0.300 . 1 . . . . 8 MET CG . 11297 1 17 . 1 1 8 8 MET N N 15 120.979 0.300 . 1 . . . . 8 MET N . 11297 1 18 . 1 1 9 9 PRO HA H 1 4.453 0.030 . 1 . . . . 9 PRO HA . 11297 1 19 . 1 1 9 9 PRO HB2 H 1 2.303 0.030 . 2 . . . . 9 PRO HB2 . 11297 1 20 . 1 1 9 9 PRO HB3 H 1 1.915 0.030 . 2 . . . . 9 PRO HB3 . 11297 1 21 . 1 1 9 9 PRO HD2 H 1 3.848 0.030 . 2 . . . . 9 PRO HD2 . 11297 1 22 . 1 1 9 9 PRO HD3 H 1 3.669 0.030 . 2 . . . . 9 PRO HD3 . 11297 1 23 . 1 1 9 9 PRO HG2 H 1 2.023 0.030 . 1 . . . . 9 PRO HG2 . 11297 1 24 . 1 1 9 9 PRO HG3 H 1 2.023 0.030 . 1 . . . . 9 PRO HG3 . 11297 1 25 . 1 1 9 9 PRO C C 13 176.860 0.300 . 1 . . . . 9 PRO C . 11297 1 26 . 1 1 9 9 PRO CA C 13 63.132 0.300 . 1 . . . . 9 PRO CA . 11297 1 27 . 1 1 9 9 PRO CB C 13 32.119 0.300 . 1 . . . . 9 PRO CB . 11297 1 28 . 1 1 9 9 PRO CD C 13 50.682 0.300 . 1 . . . . 9 PRO CD . 11297 1 29 . 1 1 9 9 PRO CG C 13 27.436 0.300 . 1 . . . . 9 PRO CG . 11297 1 30 . 1 1 10 10 SER H H 1 8.444 0.030 . 1 . . . . 10 SER H . 11297 1 31 . 1 1 10 10 SER HA H 1 4.377 0.030 . 1 . . . . 10 SER HA . 11297 1 32 . 1 1 10 10 SER HB2 H 1 3.797 0.030 . 1 . . . . 10 SER HB2 . 11297 1 33 . 1 1 10 10 SER HB3 H 1 3.797 0.030 . 1 . . . . 10 SER HB3 . 11297 1 34 . 1 1 10 10 SER C C 13 174.226 0.300 . 1 . . . . 10 SER C . 11297 1 35 . 1 1 10 10 SER CA C 13 58.140 0.300 . 1 . . . . 10 SER CA . 11297 1 36 . 1 1 10 10 SER CB C 13 63.927 0.300 . 1 . . . . 10 SER CB . 11297 1 37 . 1 1 10 10 SER N N 15 116.757 0.300 . 1 . . . . 10 SER N . 11297 1 38 . 1 1 11 11 ARG H H 1 8.142 0.030 . 1 . . . . 11 ARG H . 11297 1 39 . 1 1 11 11 ARG HA H 1 4.140 0.030 . 1 . . . . 11 ARG HA . 11297 1 40 . 1 1 11 11 ARG HB2 H 1 1.544 0.030 . 2 . . . . 11 ARG HB2 . 11297 1 41 . 1 1 11 11 ARG HB3 H 1 1.361 0.030 . 2 . . . . 11 ARG HB3 . 11297 1 42 . 1 1 11 11 ARG HD2 H 1 2.948 0.030 . 2 . . . . 11 ARG HD2 . 11297 1 43 . 1 1 11 11 ARG HD3 H 1 2.906 0.030 . 2 . . . . 11 ARG HD3 . 11297 1 44 . 1 1 11 11 ARG HE H 1 6.558 0.030 . 1 . . . . 11 ARG HE . 11297 1 45 . 1 1 11 11 ARG HG2 H 1 1.285 0.030 . 2 . . . . 11 ARG HG2 . 11297 1 46 . 1 1 11 11 ARG HG3 H 1 1.219 0.030 . 2 . . . . 11 ARG HG3 . 11297 1 47 . 1 1 11 11 ARG C C 13 176.047 0.300 . 1 . . . . 11 ARG C . 11297 1 48 . 1 1 11 11 ARG CA C 13 55.497 0.300 . 1 . . . . 11 ARG CA . 11297 1 49 . 1 1 11 11 ARG CB C 13 30.533 0.300 . 1 . . . . 11 ARG CB . 11297 1 50 . 1 1 11 11 ARG CD C 13 43.777 0.300 . 1 . . . . 11 ARG CD . 11297 1 51 . 1 1 11 11 ARG CG C 13 25.184 0.300 . 1 . . . . 11 ARG CG . 11297 1 52 . 1 1 11 11 ARG N N 15 121.178 0.300 . 1 . . . . 11 ARG N . 11297 1 53 . 1 1 11 11 ARG NE N 15 84.336 0.300 . 1 . . . . 11 ARG NE . 11297 1 54 . 1 1 12 12 LYS H H 1 7.963 0.030 . 1 . . . . 12 LYS H . 11297 1 55 . 1 1 12 12 LYS HA H 1 3.775 0.030 . 1 . . . . 12 LYS HA . 11297 1 56 . 1 1 12 12 LYS HB2 H 1 1.170 0.030 . 2 . . . . 12 LYS HB2 . 11297 1 57 . 1 1 12 12 LYS HB3 H 1 0.867 0.030 . 2 . . . . 12 LYS HB3 . 11297 1 58 . 1 1 12 12 LYS HD2 H 1 1.336 0.030 . 1 . . . . 12 LYS HD2 . 11297 1 59 . 1 1 12 12 LYS HD3 H 1 1.336 0.030 . 1 . . . . 12 LYS HD3 . 11297 1 60 . 1 1 12 12 LYS HE2 H 1 2.800 0.030 . 1 . . . . 12 LYS HE2 . 11297 1 61 . 1 1 12 12 LYS HE3 H 1 2.800 0.030 . 1 . . . . 12 LYS HE3 . 11297 1 62 . 1 1 12 12 LYS HG2 H 1 0.940 0.030 . 2 . . . . 12 LYS HG2 . 11297 1 63 . 1 1 12 12 LYS HG3 H 1 0.465 0.030 . 2 . . . . 12 LYS HG3 . 11297 1 64 . 1 1 12 12 LYS C C 13 175.890 0.300 . 1 . . . . 12 LYS C . 11297 1 65 . 1 1 12 12 LYS CA C 13 58.204 0.300 . 1 . . . . 12 LYS CA . 11297 1 66 . 1 1 12 12 LYS CB C 13 33.803 0.300 . 1 . . . . 12 LYS CB . 11297 1 67 . 1 1 12 12 LYS CD C 13 29.189 0.300 . 1 . . . . 12 LYS CD . 11297 1 68 . 1 1 12 12 LYS CE C 13 41.940 0.300 . 1 . . . . 12 LYS CE . 11297 1 69 . 1 1 12 12 LYS CG C 13 24.848 0.300 . 1 . . . . 12 LYS CG . 11297 1 70 . 1 1 12 12 LYS N N 15 123.100 0.300 . 1 . . . . 12 LYS N . 11297 1 71 . 1 1 13 13 PHE H H 1 7.352 0.030 . 1 . . . . 13 PHE H . 11297 1 72 . 1 1 13 13 PHE HA H 1 4.927 0.030 . 1 . . . . 13 PHE HA . 11297 1 73 . 1 1 13 13 PHE HB2 H 1 2.760 0.030 . 2 . . . . 13 PHE HB2 . 11297 1 74 . 1 1 13 13 PHE HB3 H 1 2.349 0.030 . 2 . . . . 13 PHE HB3 . 11297 1 75 . 1 1 13 13 PHE HD1 H 1 6.828 0.030 . 1 . . . . 13 PHE HD1 . 11297 1 76 . 1 1 13 13 PHE HD2 H 1 6.828 0.030 . 1 . . . . 13 PHE HD2 . 11297 1 77 . 1 1 13 13 PHE HE1 H 1 7.156 0.030 . 1 . . . . 13 PHE HE1 . 11297 1 78 . 1 1 13 13 PHE HE2 H 1 7.156 0.030 . 1 . . . . 13 PHE HE2 . 11297 1 79 . 1 1 13 13 PHE HZ H 1 7.079 0.030 . 1 . . . . 13 PHE HZ . 11297 1 80 . 1 1 13 13 PHE C C 13 174.967 0.300 . 1 . . . . 13 PHE C . 11297 1 81 . 1 1 13 13 PHE CA C 13 55.875 0.300 . 1 . . . . 13 PHE CA . 11297 1 82 . 1 1 13 13 PHE CB C 13 41.426 0.300 . 1 . . . . 13 PHE CB . 11297 1 83 . 1 1 13 13 PHE CD1 C 13 132.071 0.300 . 1 . . . . 13 PHE CD1 . 11297 1 84 . 1 1 13 13 PHE CD2 C 13 132.071 0.300 . 1 . . . . 13 PHE CD2 . 11297 1 85 . 1 1 13 13 PHE CE1 C 13 131.001 0.300 . 1 . . . . 13 PHE CE1 . 11297 1 86 . 1 1 13 13 PHE CE2 C 13 131.001 0.300 . 1 . . . . 13 PHE CE2 . 11297 1 87 . 1 1 13 13 PHE CZ C 13 129.868 0.300 . 1 . . . . 13 PHE CZ . 11297 1 88 . 1 1 13 13 PHE N N 15 115.020 0.300 . 1 . . . . 13 PHE N . 11297 1 89 . 1 1 14 14 ALA H H 1 9.420 0.030 . 1 . . . . 14 ALA H . 11297 1 90 . 1 1 14 14 ALA HA H 1 4.320 0.030 . 1 . . . . 14 ALA HA . 11297 1 91 . 1 1 14 14 ALA HB1 H 1 1.431 0.030 . 1 . . . . 14 ALA HB . 11297 1 92 . 1 1 14 14 ALA HB2 H 1 1.431 0.030 . 1 . . . . 14 ALA HB . 11297 1 93 . 1 1 14 14 ALA HB3 H 1 1.431 0.030 . 1 . . . . 14 ALA HB . 11297 1 94 . 1 1 14 14 ALA C C 13 176.715 0.300 . 1 . . . . 14 ALA C . 11297 1 95 . 1 1 14 14 ALA CA C 13 51.364 0.300 . 1 . . . . 14 ALA CA . 11297 1 96 . 1 1 14 14 ALA CB C 13 20.786 0.300 . 1 . . . . 14 ALA CB . 11297 1 97 . 1 1 14 14 ALA N N 15 129.147 0.300 . 1 . . . . 14 ALA N . 11297 1 98 . 1 1 15 15 ASP H H 1 8.535 0.030 . 1 . . . . 15 ASP H . 11297 1 99 . 1 1 15 15 ASP HA H 1 4.072 0.030 . 1 . . . . 15 ASP HA . 11297 1 100 . 1 1 15 15 ASP HB2 H 1 2.626 0.030 . 2 . . . . 15 ASP HB2 . 11297 1 101 . 1 1 15 15 ASP HB3 H 1 2.508 0.030 . 2 . . . . 15 ASP HB3 . 11297 1 102 . 1 1 15 15 ASP C C 13 178.026 0.300 . 1 . . . . 15 ASP C . 11297 1 103 . 1 1 15 15 ASP CA C 13 56.130 0.300 . 1 . . . . 15 ASP CA . 11297 1 104 . 1 1 15 15 ASP CB C 13 39.324 0.300 . 1 . . . . 15 ASP CB . 11297 1 105 . 1 1 15 15 ASP N N 15 120.762 0.300 . 1 . . . . 15 ASP N . 11297 1 106 . 1 1 16 16 GLY H H 1 9.227 0.030 . 1 . . . . 16 GLY H . 11297 1 107 . 1 1 16 16 GLY HA2 H 1 4.283 0.030 . 2 . . . . 16 GLY HA2 . 11297 1 108 . 1 1 16 16 GLY HA3 H 1 3.873 0.030 . 2 . . . . 16 GLY HA3 . 11297 1 109 . 1 1 16 16 GLY C C 13 174.044 0.300 . 1 . . . . 16 GLY C . 11297 1 110 . 1 1 16 16 GLY CA C 13 45.122 0.300 . 1 . . . . 16 GLY CA . 11297 1 111 . 1 1 16 16 GLY N N 15 112.694 0.300 . 1 . . . . 16 GLY N . 11297 1 112 . 1 1 17 17 GLU H H 1 7.860 0.030 . 1 . . . . 17 GLU H . 11297 1 113 . 1 1 17 17 GLU HA H 1 4.124 0.030 . 1 . . . . 17 GLU HA . 11297 1 114 . 1 1 17 17 GLU HB2 H 1 2.094 0.030 . 2 . . . . 17 GLU HB2 . 11297 1 115 . 1 1 17 17 GLU HB3 H 1 2.033 0.030 . 2 . . . . 17 GLU HB3 . 11297 1 116 . 1 1 17 17 GLU HG2 H 1 2.455 0.030 . 2 . . . . 17 GLU HG2 . 11297 1 117 . 1 1 17 17 GLU HG3 H 1 2.202 0.030 . 2 . . . . 17 GLU HG3 . 11297 1 118 . 1 1 17 17 GLU C C 13 175.052 0.300 . 1 . . . . 17 GLU C . 11297 1 119 . 1 1 17 17 GLU CA C 13 58.100 0.300 . 1 . . . . 17 GLU CA . 11297 1 120 . 1 1 17 17 GLU CB C 13 31.312 0.300 . 1 . . . . 17 GLU CB . 11297 1 121 . 1 1 17 17 GLU CG C 13 37.676 0.300 . 1 . . . . 17 GLU CG . 11297 1 122 . 1 1 17 17 GLU N N 15 121.714 0.300 . 1 . . . . 17 GLU N . 11297 1 123 . 1 1 18 18 VAL H H 1 8.393 0.030 . 1 . . . . 18 VAL H . 11297 1 124 . 1 1 18 18 VAL HA H 1 4.736 0.030 . 1 . . . . 18 VAL HA . 11297 1 125 . 1 1 18 18 VAL HB H 1 1.951 0.030 . 1 . . . . 18 VAL HB . 11297 1 126 . 1 1 18 18 VAL HG11 H 1 0.957 0.030 . 1 . . . . 18 VAL HG1 . 11297 1 127 . 1 1 18 18 VAL HG12 H 1 0.957 0.030 . 1 . . . . 18 VAL HG1 . 11297 1 128 . 1 1 18 18 VAL HG13 H 1 0.957 0.030 . 1 . . . . 18 VAL HG1 . 11297 1 129 . 1 1 18 18 VAL HG21 H 1 0.889 0.030 . 1 . . . . 18 VAL HG2 . 11297 1 130 . 1 1 18 18 VAL HG22 H 1 0.889 0.030 . 1 . . . . 18 VAL HG2 . 11297 1 131 . 1 1 18 18 VAL HG23 H 1 0.889 0.030 . 1 . . . . 18 VAL HG2 . 11297 1 132 . 1 1 18 18 VAL C C 13 176.654 0.300 . 1 . . . . 18 VAL C . 11297 1 133 . 1 1 18 18 VAL CA C 13 62.697 0.300 . 1 . . . . 18 VAL CA . 11297 1 134 . 1 1 18 18 VAL CB C 13 31.440 0.300 . 1 . . . . 18 VAL CB . 11297 1 135 . 1 1 18 18 VAL CG1 C 13 21.223 0.300 . 2 . . . . 18 VAL CG1 . 11297 1 136 . 1 1 18 18 VAL CG2 C 13 21.333 0.300 . 2 . . . . 18 VAL CG2 . 11297 1 137 . 1 1 18 18 VAL N N 15 124.831 0.300 . 1 . . . . 18 VAL N . 11297 1 138 . 1 1 19 19 VAL H H 1 8.798 0.030 . 1 . . . . 19 VAL H . 11297 1 139 . 1 1 19 19 VAL HA H 1 4.656 0.030 . 1 . . . . 19 VAL HA . 11297 1 140 . 1 1 19 19 VAL HB H 1 2.001 0.030 . 1 . . . . 19 VAL HB . 11297 1 141 . 1 1 19 19 VAL HG11 H 1 0.502 0.030 . 1 . . . . 19 VAL HG1 . 11297 1 142 . 1 1 19 19 VAL HG12 H 1 0.502 0.030 . 1 . . . . 19 VAL HG1 . 11297 1 143 . 1 1 19 19 VAL HG13 H 1 0.502 0.030 . 1 . . . . 19 VAL HG1 . 11297 1 144 . 1 1 19 19 VAL HG21 H 1 0.188 0.030 . 1 . . . . 19 VAL HG2 . 11297 1 145 . 1 1 19 19 VAL HG22 H 1 0.188 0.030 . 1 . . . . 19 VAL HG2 . 11297 1 146 . 1 1 19 19 VAL HG23 H 1 0.188 0.030 . 1 . . . . 19 VAL HG2 . 11297 1 147 . 1 1 19 19 VAL C C 13 174.190 0.300 . 1 . . . . 19 VAL C . 11297 1 148 . 1 1 19 19 VAL CA C 13 59.005 0.300 . 1 . . . . 19 VAL CA . 11297 1 149 . 1 1 19 19 VAL CB C 13 34.051 0.300 . 1 . . . . 19 VAL CB . 11297 1 150 . 1 1 19 19 VAL CG1 C 13 22.225 0.300 . 2 . . . . 19 VAL CG1 . 11297 1 151 . 1 1 19 19 VAL CG2 C 13 18.797 0.300 . 2 . . . . 19 VAL CG2 . 11297 1 152 . 1 1 19 19 VAL N N 15 122.720 0.300 . 1 . . . . 19 VAL N . 11297 1 153 . 1 1 20 20 ARG H H 1 8.497 0.030 . 1 . . . . 20 ARG H . 11297 1 154 . 1 1 20 20 ARG HA H 1 5.249 0.030 . 1 . . . . 20 ARG HA . 11297 1 155 . 1 1 20 20 ARG HB2 H 1 1.631 0.030 . 2 . . . . 20 ARG HB2 . 11297 1 156 . 1 1 20 20 ARG HB3 H 1 1.483 0.030 . 2 . . . . 20 ARG HB3 . 11297 1 157 . 1 1 20 20 ARG HD2 H 1 2.974 0.030 . 1 . . . . 20 ARG HD2 . 11297 1 158 . 1 1 20 20 ARG HD3 H 1 2.974 0.030 . 1 . . . . 20 ARG HD3 . 11297 1 159 . 1 1 20 20 ARG HG2 H 1 1.564 0.030 . 2 . . . . 20 ARG HG2 . 11297 1 160 . 1 1 20 20 ARG HG3 H 1 1.430 0.030 . 2 . . . . 20 ARG HG3 . 11297 1 161 . 1 1 20 20 ARG C C 13 174.906 0.300 . 1 . . . . 20 ARG C . 11297 1 162 . 1 1 20 20 ARG CA C 13 54.161 0.300 . 1 . . . . 20 ARG CA . 11297 1 163 . 1 1 20 20 ARG CB C 13 32.194 0.300 . 1 . . . . 20 ARG CB . 11297 1 164 . 1 1 20 20 ARG CD C 13 43.335 0.300 . 1 . . . . 20 ARG CD . 11297 1 165 . 1 1 20 20 ARG CG C 13 27.313 0.300 . 1 . . . . 20 ARG CG . 11297 1 166 . 1 1 20 20 ARG N N 15 118.450 0.300 . 1 . . . . 20 ARG N . 11297 1 167 . 1 1 21 21 GLY H H 1 9.563 0.030 . 1 . . . . 21 GLY H . 11297 1 168 . 1 1 21 21 GLY HA2 H 1 5.194 0.030 . 2 . . . . 21 GLY HA2 . 11297 1 169 . 1 1 21 21 GLY HA3 H 1 3.056 0.030 . 2 . . . . 21 GLY HA3 . 11297 1 170 . 1 1 21 21 GLY C C 13 172.199 0.300 . 1 . . . . 21 GLY C . 11297 1 171 . 1 1 21 21 GLY CA C 13 43.876 0.300 . 1 . . . . 21 GLY CA . 11297 1 172 . 1 1 21 21 GLY N N 15 109.453 0.300 . 1 . . . . 21 GLY N . 11297 1 173 . 1 1 22 22 ARG H H 1 8.479 0.030 . 1 . . . . 22 ARG H . 11297 1 174 . 1 1 22 22 ARG HA H 1 3.903 0.030 . 1 . . . . 22 ARG HA . 11297 1 175 . 1 1 22 22 ARG HB2 H 1 1.393 0.030 . 2 . . . . 22 ARG HB2 . 11297 1 176 . 1 1 22 22 ARG HB3 H 1 0.982 0.030 . 2 . . . . 22 ARG HB3 . 11297 1 177 . 1 1 22 22 ARG HD2 H 1 3.188 0.030 . 2 . . . . 22 ARG HD2 . 11297 1 178 . 1 1 22 22 ARG HD3 H 1 2.836 0.030 . 2 . . . . 22 ARG HD3 . 11297 1 179 . 1 1 22 22 ARG HE H 1 7.258 0.030 . 1 . . . . 22 ARG HE . 11297 1 180 . 1 1 22 22 ARG HG2 H 1 1.203 0.030 . 2 . . . . 22 ARG HG2 . 11297 1 181 . 1 1 22 22 ARG HG3 H 1 0.801 0.030 . 2 . . . . 22 ARG HG3 . 11297 1 182 . 1 1 22 22 ARG C C 13 175.513 0.300 . 1 . . . . 22 ARG C . 11297 1 183 . 1 1 22 22 ARG CA C 13 55.791 0.300 . 1 . . . . 22 ARG CA . 11297 1 184 . 1 1 22 22 ARG CB C 13 31.263 0.300 . 1 . . . . 22 ARG CB . 11297 1 185 . 1 1 22 22 ARG CD C 13 43.692 0.300 . 1 . . . . 22 ARG CD . 11297 1 186 . 1 1 22 22 ARG CG C 13 26.864 0.300 . 1 . . . . 22 ARG CG . 11297 1 187 . 1 1 22 22 ARG N N 15 127.008 0.300 . 1 . . . . 22 ARG N . 11297 1 188 . 1 1 22 22 ARG NE N 15 84.169 0.300 . 1 . . . . 22 ARG NE . 11297 1 189 . 1 1 23 23 TRP H H 1 8.442 0.030 . 1 . . . . 23 TRP H . 11297 1 190 . 1 1 23 23 TRP HA H 1 4.772 0.030 . 1 . . . . 23 TRP HA . 11297 1 191 . 1 1 23 23 TRP HB2 H 1 3.151 0.030 . 2 . . . . 23 TRP HB2 . 11297 1 192 . 1 1 23 23 TRP HB3 H 1 2.894 0.030 . 2 . . . . 23 TRP HB3 . 11297 1 193 . 1 1 23 23 TRP HD1 H 1 7.065 0.030 . 1 . . . . 23 TRP HD1 . 11297 1 194 . 1 1 23 23 TRP HE1 H 1 9.881 0.030 . 1 . . . . 23 TRP HE1 . 11297 1 195 . 1 1 23 23 TRP HE3 H 1 6.850 0.030 . 1 . . . . 23 TRP HE3 . 11297 1 196 . 1 1 23 23 TRP HH2 H 1 6.829 0.030 . 1 . . . . 23 TRP HH2 . 11297 1 197 . 1 1 23 23 TRP HZ2 H 1 7.224 0.030 . 1 . . . . 23 TRP HZ2 . 11297 1 198 . 1 1 23 23 TRP HZ3 H 1 6.045 0.030 . 1 . . . . 23 TRP HZ3 . 11297 1 199 . 1 1 23 23 TRP C C 13 174.554 0.300 . 1 . . . . 23 TRP C . 11297 1 200 . 1 1 23 23 TRP CA C 13 54.372 0.300 . 1 . . . . 23 TRP CA . 11297 1 201 . 1 1 23 23 TRP CB C 13 29.518 0.300 . 1 . . . . 23 TRP CB . 11297 1 202 . 1 1 23 23 TRP CD1 C 13 127.220 0.300 . 1 . . . . 23 TRP CD1 . 11297 1 203 . 1 1 23 23 TRP CE3 C 13 120.486 0.300 . 1 . . . . 23 TRP CE3 . 11297 1 204 . 1 1 23 23 TRP CH2 C 13 123.908 0.300 . 1 . . . . 23 TRP CH2 . 11297 1 205 . 1 1 23 23 TRP CZ2 C 13 114.251 0.300 . 1 . . . . 23 TRP CZ2 . 11297 1 206 . 1 1 23 23 TRP CZ3 C 13 120.888 0.300 . 1 . . . . 23 TRP CZ3 . 11297 1 207 . 1 1 23 23 TRP N N 15 129.779 0.300 . 1 . . . . 23 TRP N . 11297 1 208 . 1 1 23 23 TRP NE1 N 15 128.503 0.300 . 1 . . . . 23 TRP NE1 . 11297 1 209 . 1 1 24 24 PRO HA H 1 4.095 0.030 . 1 . . . . 24 PRO HA . 11297 1 210 . 1 1 24 24 PRO HB2 H 1 2.097 0.030 . 2 . . . . 24 PRO HB2 . 11297 1 211 . 1 1 24 24 PRO HB3 H 1 1.583 0.030 . 2 . . . . 24 PRO HB3 . 11297 1 212 . 1 1 24 24 PRO HD2 H 1 3.491 0.030 . 2 . . . . 24 PRO HD2 . 11297 1 213 . 1 1 24 24 PRO HD3 H 1 2.240 0.030 . 2 . . . . 24 PRO HD3 . 11297 1 214 . 1 1 24 24 PRO HG2 H 1 1.673 0.030 . 2 . . . . 24 PRO HG2 . 11297 1 215 . 1 1 24 24 PRO HG3 H 1 1.635 0.030 . 2 . . . . 24 PRO HG3 . 11297 1 216 . 1 1 24 24 PRO CA C 13 64.153 0.300 . 1 . . . . 24 PRO CA . 11297 1 217 . 1 1 24 24 PRO CB C 13 31.543 0.300 . 1 . . . . 24 PRO CB . 11297 1 218 . 1 1 24 24 PRO CD C 13 50.744 0.300 . 1 . . . . 24 PRO CD . 11297 1 219 . 1 1 24 24 PRO CG C 13 27.429 0.300 . 1 . . . . 24 PRO CG . 11297 1 220 . 1 1 25 25 GLY H H 1 8.594 0.030 . 1 . . . . 25 GLY H . 11297 1 221 . 1 1 25 25 GLY HA2 H 1 4.116 0.030 . 2 . . . . 25 GLY HA2 . 11297 1 222 . 1 1 25 25 GLY HA3 H 1 3.704 0.030 . 2 . . . . 25 GLY HA3 . 11297 1 223 . 1 1 25 25 GLY CA C 13 45.388 0.300 . 1 . . . . 25 GLY CA . 11297 1 224 . 1 1 25 25 GLY N N 15 111.074 0.300 . 1 . . . . 25 GLY N . 11297 1 225 . 1 1 26 26 SER H H 1 8.274 0.030 . 1 . . . . 26 SER H . 11297 1 226 . 1 1 26 26 SER HA H 1 4.980 0.030 . 1 . . . . 26 SER HA . 11297 1 227 . 1 1 26 26 SER HB2 H 1 4.061 0.030 . 2 . . . . 26 SER HB2 . 11297 1 228 . 1 1 26 26 SER HB3 H 1 3.929 0.030 . 2 . . . . 26 SER HB3 . 11297 1 229 . 1 1 26 26 SER CA C 13 56.677 0.300 . 1 . . . . 26 SER CA . 11297 1 230 . 1 1 26 26 SER CB C 13 66.886 0.300 . 1 . . . . 26 SER CB . 11297 1 231 . 1 1 26 26 SER N N 15 116.052 0.300 . 1 . . . . 26 SER N . 11297 1 232 . 1 1 27 27 SER HA H 1 4.568 0.030 . 1 . . . . 27 SER HA . 11297 1 233 . 1 1 27 27 SER HB2 H 1 3.988 0.030 . 2 . . . . 27 SER HB2 . 11297 1 234 . 1 1 27 27 SER HB3 H 1 3.961 0.030 . 2 . . . . 27 SER HB3 . 11297 1 235 . 1 1 27 27 SER C C 13 173.826 0.300 . 1 . . . . 27 SER C . 11297 1 236 . 1 1 27 27 SER CA C 13 57.744 0.300 . 1 . . . . 27 SER CA . 11297 1 237 . 1 1 27 27 SER CB C 13 63.700 0.300 . 1 . . . . 27 SER CB . 11297 1 238 . 1 1 28 28 LEU H H 1 8.295 0.030 . 1 . . . . 28 LEU H . 11297 1 239 . 1 1 28 28 LEU HA H 1 4.445 0.030 . 1 . . . . 28 LEU HA . 11297 1 240 . 1 1 28 28 LEU HB2 H 1 1.690 0.030 . 2 . . . . 28 LEU HB2 . 11297 1 241 . 1 1 28 28 LEU HB3 H 1 1.173 0.030 . 2 . . . . 28 LEU HB3 . 11297 1 242 . 1 1 28 28 LEU HD11 H 1 0.911 0.030 . 1 . . . . 28 LEU HD1 . 11297 1 243 . 1 1 28 28 LEU HD12 H 1 0.911 0.030 . 1 . . . . 28 LEU HD1 . 11297 1 244 . 1 1 28 28 LEU HD13 H 1 0.911 0.030 . 1 . . . . 28 LEU HD1 . 11297 1 245 . 1 1 28 28 LEU HD21 H 1 0.819 0.030 . 1 . . . . 28 LEU HD2 . 11297 1 246 . 1 1 28 28 LEU HD22 H 1 0.819 0.030 . 1 . . . . 28 LEU HD2 . 11297 1 247 . 1 1 28 28 LEU HD23 H 1 0.819 0.030 . 1 . . . . 28 LEU HD2 . 11297 1 248 . 1 1 28 28 LEU HG H 1 1.587 0.030 . 1 . . . . 28 LEU HG . 11297 1 249 . 1 1 28 28 LEU C C 13 175.027 0.300 . 1 . . . . 28 LEU C . 11297 1 250 . 1 1 28 28 LEU CA C 13 54.499 0.300 . 1 . . . . 28 LEU CA . 11297 1 251 . 1 1 28 28 LEU CB C 13 43.557 0.300 . 1 . . . . 28 LEU CB . 11297 1 252 . 1 1 28 28 LEU CD1 C 13 25.184 0.300 . 2 . . . . 28 LEU CD1 . 11297 1 253 . 1 1 28 28 LEU CD2 C 13 23.007 0.300 . 2 . . . . 28 LEU CD2 . 11297 1 254 . 1 1 28 28 LEU CG C 13 27.050 0.300 . 1 . . . . 28 LEU CG . 11297 1 255 . 1 1 28 28 LEU N N 15 123.176 0.300 . 1 . . . . 28 LEU N . 11297 1 256 . 1 1 29 29 TYR H H 1 8.281 0.030 . 1 . . . . 29 TYR H . 11297 1 257 . 1 1 29 29 TYR HA H 1 4.883 0.030 . 1 . . . . 29 TYR HA . 11297 1 258 . 1 1 29 29 TYR HB2 H 1 2.821 0.030 . 2 . . . . 29 TYR HB2 . 11297 1 259 . 1 1 29 29 TYR HB3 H 1 2.367 0.030 . 2 . . . . 29 TYR HB3 . 11297 1 260 . 1 1 29 29 TYR HD1 H 1 6.849 0.030 . 1 . . . . 29 TYR HD1 . 11297 1 261 . 1 1 29 29 TYR HD2 H 1 6.849 0.030 . 1 . . . . 29 TYR HD2 . 11297 1 262 . 1 1 29 29 TYR HE1 H 1 6.642 0.030 . 1 . . . . 29 TYR HE1 . 11297 1 263 . 1 1 29 29 TYR HE2 H 1 6.642 0.030 . 1 . . . . 29 TYR HE2 . 11297 1 264 . 1 1 29 29 TYR C C 13 175.926 0.300 . 1 . . . . 29 TYR C . 11297 1 265 . 1 1 29 29 TYR CA C 13 57.041 0.300 . 1 . . . . 29 TYR CA . 11297 1 266 . 1 1 29 29 TYR CB C 13 40.841 0.300 . 1 . . . . 29 TYR CB . 11297 1 267 . 1 1 29 29 TYR CD1 C 13 132.804 0.300 . 1 . . . . 29 TYR CD1 . 11297 1 268 . 1 1 29 29 TYR CD2 C 13 132.804 0.300 . 1 . . . . 29 TYR CD2 . 11297 1 269 . 1 1 29 29 TYR CE1 C 13 118.249 0.300 . 1 . . . . 29 TYR CE1 . 11297 1 270 . 1 1 29 29 TYR CE2 C 13 118.249 0.300 . 1 . . . . 29 TYR CE2 . 11297 1 271 . 1 1 29 29 TYR N N 15 118.089 0.300 . 1 . . . . 29 TYR N . 11297 1 272 . 1 1 30 30 TYR H H 1 8.910 0.030 . 1 . . . . 30 TYR H . 11297 1 273 . 1 1 30 30 TYR HA H 1 4.896 0.030 . 1 . . . . 30 TYR HA . 11297 1 274 . 1 1 30 30 TYR HB2 H 1 3.301 0.030 . 2 . . . . 30 TYR HB2 . 11297 1 275 . 1 1 30 30 TYR HB3 H 1 2.708 0.030 . 2 . . . . 30 TYR HB3 . 11297 1 276 . 1 1 30 30 TYR HD1 H 1 6.956 0.030 . 1 . . . . 30 TYR HD1 . 11297 1 277 . 1 1 30 30 TYR HD2 H 1 6.956 0.030 . 1 . . . . 30 TYR HD2 . 11297 1 278 . 1 1 30 30 TYR HE1 H 1 6.367 0.030 . 1 . . . . 30 TYR HE1 . 11297 1 279 . 1 1 30 30 TYR HE2 H 1 6.367 0.030 . 1 . . . . 30 TYR HE2 . 11297 1 280 . 1 1 30 30 TYR C C 13 175.003 0.300 . 1 . . . . 30 TYR C . 11297 1 281 . 1 1 30 30 TYR CA C 13 55.719 0.300 . 1 . . . . 30 TYR CA . 11297 1 282 . 1 1 30 30 TYR CB C 13 42.191 0.300 . 1 . . . . 30 TYR CB . 11297 1 283 . 1 1 30 30 TYR CD1 C 13 132.527 0.300 . 1 . . . . 30 TYR CD1 . 11297 1 284 . 1 1 30 30 TYR CD2 C 13 132.527 0.300 . 1 . . . . 30 TYR CD2 . 11297 1 285 . 1 1 30 30 TYR CE1 C 13 117.791 0.300 . 1 . . . . 30 TYR CE1 . 11297 1 286 . 1 1 30 30 TYR CE2 C 13 117.791 0.300 . 1 . . . . 30 TYR CE2 . 11297 1 287 . 1 1 30 30 TYR N N 15 120.921 0.300 . 1 . . . . 30 TYR N . 11297 1 288 . 1 1 31 31 GLU H H 1 8.957 0.030 . 1 . . . . 31 GLU H . 11297 1 289 . 1 1 31 31 GLU HA H 1 4.707 0.030 . 1 . . . . 31 GLU HA . 11297 1 290 . 1 1 31 31 GLU HB2 H 1 2.036 0.030 . 2 . . . . 31 GLU HB2 . 11297 1 291 . 1 1 31 31 GLU HB3 H 1 1.959 0.030 . 2 . . . . 31 GLU HB3 . 11297 1 292 . 1 1 31 31 GLU HG2 H 1 2.249 0.030 . 2 . . . . 31 GLU HG2 . 11297 1 293 . 1 1 31 31 GLU HG3 H 1 2.054 0.030 . 2 . . . . 31 GLU HG3 . 11297 1 294 . 1 1 31 31 GLU C C 13 175.962 0.300 . 1 . . . . 31 GLU C . 11297 1 295 . 1 1 31 31 GLU CA C 13 57.774 0.300 . 1 . . . . 31 GLU CA . 11297 1 296 . 1 1 31 31 GLU CB C 13 30.431 0.300 . 1 . . . . 31 GLU CB . 11297 1 297 . 1 1 31 31 GLU CG C 13 37.594 0.300 . 1 . . . . 31 GLU CG . 11297 1 298 . 1 1 31 31 GLU N N 15 122.612 0.300 . 1 . . . . 31 GLU N . 11297 1 299 . 1 1 32 32 VAL H H 1 8.872 0.030 . 1 . . . . 32 VAL H . 11297 1 300 . 1 1 32 32 VAL HA H 1 4.947 0.030 . 1 . . . . 32 VAL HA . 11297 1 301 . 1 1 32 32 VAL HB H 1 1.575 0.030 . 1 . . . . 32 VAL HB . 11297 1 302 . 1 1 32 32 VAL HG11 H 1 0.393 0.030 . 1 . . . . 32 VAL HG1 . 11297 1 303 . 1 1 32 32 VAL HG12 H 1 0.393 0.030 . 1 . . . . 32 VAL HG1 . 11297 1 304 . 1 1 32 32 VAL HG13 H 1 0.393 0.030 . 1 . . . . 32 VAL HG1 . 11297 1 305 . 1 1 32 32 VAL HG21 H 1 0.344 0.030 . 1 . . . . 32 VAL HG2 . 11297 1 306 . 1 1 32 32 VAL HG22 H 1 0.344 0.030 . 1 . . . . 32 VAL HG2 . 11297 1 307 . 1 1 32 32 VAL HG23 H 1 0.344 0.030 . 1 . . . . 32 VAL HG2 . 11297 1 308 . 1 1 32 32 VAL C C 13 172.915 0.300 . 1 . . . . 32 VAL C . 11297 1 309 . 1 1 32 32 VAL CA C 13 58.480 0.300 . 1 . . . . 32 VAL CA . 11297 1 310 . 1 1 32 32 VAL CB C 13 36.927 0.300 . 1 . . . . 32 VAL CB . 11297 1 311 . 1 1 32 32 VAL CG1 C 13 21.797 0.300 . 2 . . . . 32 VAL CG1 . 11297 1 312 . 1 1 32 32 VAL CG2 C 13 18.204 0.300 . 2 . . . . 32 VAL CG2 . 11297 1 313 . 1 1 32 32 VAL N N 15 118.386 0.300 . 1 . . . . 32 VAL N . 11297 1 314 . 1 1 33 33 GLU H H 1 8.244 0.030 . 1 . . . . 33 GLU H . 11297 1 315 . 1 1 33 33 GLU HA H 1 5.066 0.030 . 1 . . . . 33 GLU HA . 11297 1 316 . 1 1 33 33 GLU HB2 H 1 1.867 0.030 . 2 . . . . 33 GLU HB2 . 11297 1 317 . 1 1 33 33 GLU HB3 H 1 1.807 0.030 . 2 . . . . 33 GLU HB3 . 11297 1 318 . 1 1 33 33 GLU HG2 H 1 2.004 0.030 . 2 . . . . 33 GLU HG2 . 11297 1 319 . 1 1 33 33 GLU HG3 H 1 1.925 0.030 . 2 . . . . 33 GLU HG3 . 11297 1 320 . 1 1 33 33 GLU C C 13 177.067 0.300 . 1 . . . . 33 GLU C . 11297 1 321 . 1 1 33 33 GLU CA C 13 53.505 0.300 . 1 . . . . 33 GLU CA . 11297 1 322 . 1 1 33 33 GLU CB C 13 33.252 0.300 . 1 . . . . 33 GLU CB . 11297 1 323 . 1 1 33 33 GLU CG C 13 36.177 0.300 . 1 . . . . 33 GLU CG . 11297 1 324 . 1 1 33 33 GLU N N 15 119.943 0.300 . 1 . . . . 33 GLU N . 11297 1 325 . 1 1 34 34 ILE H H 1 8.728 0.030 . 1 . . . . 34 ILE H . 11297 1 326 . 1 1 34 34 ILE HA H 1 3.946 0.030 . 1 . . . . 34 ILE HA . 11297 1 327 . 1 1 34 34 ILE HB H 1 2.526 0.030 . 1 . . . . 34 ILE HB . 11297 1 328 . 1 1 34 34 ILE HD11 H 1 0.300 0.030 . 1 . . . . 34 ILE HD1 . 11297 1 329 . 1 1 34 34 ILE HD12 H 1 0.300 0.030 . 1 . . . . 34 ILE HD1 . 11297 1 330 . 1 1 34 34 ILE HD13 H 1 0.300 0.030 . 1 . . . . 34 ILE HD1 . 11297 1 331 . 1 1 34 34 ILE HG12 H 1 1.442 0.030 . 2 . . . . 34 ILE HG12 . 11297 1 332 . 1 1 34 34 ILE HG13 H 1 1.290 0.030 . 2 . . . . 34 ILE HG13 . 11297 1 333 . 1 1 34 34 ILE HG21 H 1 0.953 0.030 . 1 . . . . 34 ILE HG2 . 11297 1 334 . 1 1 34 34 ILE HG22 H 1 0.953 0.030 . 1 . . . . 34 ILE HG2 . 11297 1 335 . 1 1 34 34 ILE HG23 H 1 0.953 0.030 . 1 . . . . 34 ILE HG2 . 11297 1 336 . 1 1 34 34 ILE C C 13 176.702 0.300 . 1 . . . . 34 ILE C . 11297 1 337 . 1 1 34 34 ILE CA C 13 61.045 0.300 . 1 . . . . 34 ILE CA . 11297 1 338 . 1 1 34 34 ILE CB C 13 36.111 0.300 . 1 . . . . 34 ILE CB . 11297 1 339 . 1 1 34 34 ILE CD1 C 13 11.075 0.300 . 1 . . . . 34 ILE CD1 . 11297 1 340 . 1 1 34 34 ILE CG1 C 13 26.614 0.300 . 1 . . . . 34 ILE CG1 . 11297 1 341 . 1 1 34 34 ILE CG2 C 13 19.068 0.300 . 1 . . . . 34 ILE CG2 . 11297 1 342 . 1 1 34 34 ILE N N 15 124.194 0.300 . 1 . . . . 34 ILE N . 11297 1 343 . 1 1 35 35 LEU H H 1 9.640 0.030 . 1 . . . . 35 LEU H . 11297 1 344 . 1 1 35 35 LEU HA H 1 4.560 0.030 . 1 . . . . 35 LEU HA . 11297 1 345 . 1 1 35 35 LEU HB2 H 1 1.604 0.030 . 2 . . . . 35 LEU HB2 . 11297 1 346 . 1 1 35 35 LEU HB3 H 1 1.469 0.030 . 2 . . . . 35 LEU HB3 . 11297 1 347 . 1 1 35 35 LEU HD11 H 1 0.814 0.030 . 1 . . . . 35 LEU HD1 . 11297 1 348 . 1 1 35 35 LEU HD12 H 1 0.814 0.030 . 1 . . . . 35 LEU HD1 . 11297 1 349 . 1 1 35 35 LEU HD13 H 1 0.814 0.030 . 1 . . . . 35 LEU HD1 . 11297 1 350 . 1 1 35 35 LEU HD21 H 1 0.749 0.030 . 1 . . . . 35 LEU HD2 . 11297 1 351 . 1 1 35 35 LEU HD22 H 1 0.749 0.030 . 1 . . . . 35 LEU HD2 . 11297 1 352 . 1 1 35 35 LEU HD23 H 1 0.749 0.030 . 1 . . . . 35 LEU HD2 . 11297 1 353 . 1 1 35 35 LEU HG H 1 1.565 0.030 . 1 . . . . 35 LEU HG . 11297 1 354 . 1 1 35 35 LEU C C 13 176.630 0.300 . 1 . . . . 35 LEU C . 11297 1 355 . 1 1 35 35 LEU CA C 13 56.036 0.300 . 1 . . . . 35 LEU CA . 11297 1 356 . 1 1 35 35 LEU CB C 13 42.970 0.300 . 1 . . . . 35 LEU CB . 11297 1 357 . 1 1 35 35 LEU CD1 C 13 25.854 0.300 . 2 . . . . 35 LEU CD1 . 11297 1 358 . 1 1 35 35 LEU CD2 C 13 22.260 0.300 . 2 . . . . 35 LEU CD2 . 11297 1 359 . 1 1 35 35 LEU CG C 13 26.657 0.300 . 1 . . . . 35 LEU CG . 11297 1 360 . 1 1 35 35 LEU N N 15 130.068 0.300 . 1 . . . . 35 LEU N . 11297 1 361 . 1 1 36 36 SER H H 1 7.863 0.030 . 1 . . . . 36 SER H . 11297 1 362 . 1 1 36 36 SER HA H 1 4.949 0.030 . 1 . . . . 36 SER HA . 11297 1 363 . 1 1 36 36 SER HB2 H 1 3.932 0.030 . 2 . . . . 36 SER HB2 . 11297 1 364 . 1 1 36 36 SER HB3 H 1 3.908 0.030 . 2 . . . . 36 SER HB3 . 11297 1 365 . 1 1 36 36 SER C C 13 172.405 0.300 . 1 . . . . 36 SER C . 11297 1 366 . 1 1 36 36 SER CA C 13 57.920 0.300 . 1 . . . . 36 SER CA . 11297 1 367 . 1 1 36 36 SER CB C 13 64.127 0.300 . 1 . . . . 36 SER CB . 11297 1 368 . 1 1 36 36 SER N N 15 109.068 0.300 . 1 . . . . 36 SER N . 11297 1 369 . 1 1 37 37 HIS H H 1 8.692 0.030 . 1 . . . . 37 HIS H . 11297 1 370 . 1 1 37 37 HIS HA H 1 4.765 0.030 . 1 . . . . 37 HIS HA . 11297 1 371 . 1 1 37 37 HIS HB2 H 1 2.729 0.030 . 2 . . . . 37 HIS HB2 . 11297 1 372 . 1 1 37 37 HIS HB3 H 1 2.687 0.030 . 2 . . . . 37 HIS HB3 . 11297 1 373 . 1 1 37 37 HIS HE1 H 1 7.346 0.030 . 1 . . . . 37 HIS HE1 . 11297 1 374 . 1 1 37 37 HIS C C 13 172.818 0.300 . 1 . . . . 37 HIS C . 11297 1 375 . 1 1 37 37 HIS CA C 13 56.318 0.300 . 1 . . . . 37 HIS CA . 11297 1 376 . 1 1 37 37 HIS CB C 13 33.680 0.300 . 1 . . . . 37 HIS CB . 11297 1 377 . 1 1 37 37 HIS CE1 C 13 136.655 0.300 . 1 . . . . 37 HIS CE1 . 11297 1 378 . 1 1 37 37 HIS N N 15 119.724 0.300 . 1 . . . . 37 HIS N . 11297 1 379 . 1 1 38 38 ASP H H 1 7.355 0.030 . 1 . . . . 38 ASP H . 11297 1 380 . 1 1 38 38 ASP HA H 1 4.795 0.030 . 1 . . . . 38 ASP HA . 11297 1 381 . 1 1 38 38 ASP HB2 H 1 2.873 0.030 . 2 . . . . 38 ASP HB2 . 11297 1 382 . 1 1 38 38 ASP HB3 H 1 2.325 0.030 . 2 . . . . 38 ASP HB3 . 11297 1 383 . 1 1 38 38 ASP C C 13 175.938 0.300 . 1 . . . . 38 ASP C . 11297 1 384 . 1 1 38 38 ASP CA C 13 52.213 0.300 . 1 . . . . 38 ASP CA . 11297 1 385 . 1 1 38 38 ASP CB C 13 42.867 0.300 . 1 . . . . 38 ASP CB . 11297 1 386 . 1 1 38 38 ASP N N 15 126.569 0.300 . 1 . . . . 38 ASP N . 11297 1 387 . 1 1 39 39 SER H H 1 8.797 0.030 . 1 . . . . 39 SER H . 11297 1 388 . 1 1 39 39 SER HA H 1 3.948 0.030 . 1 . . . . 39 SER HA . 11297 1 389 . 1 1 39 39 SER HB2 H 1 4.022 0.030 . 2 . . . . 39 SER HB2 . 11297 1 390 . 1 1 39 39 SER HB3 H 1 3.976 0.030 . 2 . . . . 39 SER HB3 . 11297 1 391 . 1 1 39 39 SER C C 13 175.440 0.300 . 1 . . . . 39 SER C . 11297 1 392 . 1 1 39 39 SER CA C 13 60.528 0.300 . 1 . . . . 39 SER CA . 11297 1 393 . 1 1 39 39 SER CB C 13 63.205 0.300 . 1 . . . . 39 SER CB . 11297 1 394 . 1 1 39 39 SER N N 15 120.521 0.300 . 1 . . . . 39 SER N . 11297 1 395 . 1 1 40 40 THR H H 1 8.551 0.030 . 1 . . . . 40 THR H . 11297 1 396 . 1 1 40 40 THR HA H 1 4.146 0.030 . 1 . . . . 40 THR HA . 11297 1 397 . 1 1 40 40 THR HB H 1 4.284 0.030 . 1 . . . . 40 THR HB . 11297 1 398 . 1 1 40 40 THR HG21 H 1 1.190 0.030 . 1 . . . . 40 THR HG2 . 11297 1 399 . 1 1 40 40 THR HG22 H 1 1.190 0.030 . 1 . . . . 40 THR HG2 . 11297 1 400 . 1 1 40 40 THR HG23 H 1 1.190 0.030 . 1 . . . . 40 THR HG2 . 11297 1 401 . 1 1 40 40 THR C C 13 175.513 0.300 . 1 . . . . 40 THR C . 11297 1 402 . 1 1 40 40 THR CA C 13 65.489 0.300 . 1 . . . . 40 THR CA . 11297 1 403 . 1 1 40 40 THR CB C 13 68.185 0.300 . 1 . . . . 40 THR CB . 11297 1 404 . 1 1 40 40 THR CG2 C 13 21.682 0.300 . 1 . . . . 40 THR CG2 . 11297 1 405 . 1 1 40 40 THR N N 15 118.226 0.300 . 1 . . . . 40 THR N . 11297 1 406 . 1 1 41 41 SER H H 1 7.987 0.030 . 1 . . . . 41 SER H . 11297 1 407 . 1 1 41 41 SER HA H 1 4.265 0.030 . 1 . . . . 41 SER HA . 11297 1 408 . 1 1 41 41 SER HB2 H 1 3.811 0.030 . 2 . . . . 41 SER HB2 . 11297 1 409 . 1 1 41 41 SER HB3 H 1 3.695 0.030 . 2 . . . . 41 SER HB3 . 11297 1 410 . 1 1 41 41 SER C C 13 175.125 0.300 . 1 . . . . 41 SER C . 11297 1 411 . 1 1 41 41 SER CA C 13 58.442 0.300 . 1 . . . . 41 SER CA . 11297 1 412 . 1 1 41 41 SER CB C 13 64.359 0.300 . 1 . . . . 41 SER CB . 11297 1 413 . 1 1 41 41 SER N N 15 116.406 0.300 . 1 . . . . 41 SER N . 11297 1 414 . 1 1 42 42 GLN H H 1 7.956 0.030 . 1 . . . . 42 GLN H . 11297 1 415 . 1 1 42 42 GLN HA H 1 3.540 0.030 . 1 . . . . 42 GLN HA . 11297 1 416 . 1 1 42 42 GLN HB2 H 1 2.419 0.030 . 1 . . . . 42 GLN HB2 . 11297 1 417 . 1 1 42 42 GLN HB3 H 1 2.419 0.030 . 1 . . . . 42 GLN HB3 . 11297 1 418 . 1 1 42 42 GLN HE21 H 1 7.659 0.030 . 2 . . . . 42 GLN HE21 . 11297 1 419 . 1 1 42 42 GLN HE22 H 1 6.993 0.030 . 2 . . . . 42 GLN HE22 . 11297 1 420 . 1 1 42 42 GLN HG2 H 1 2.280 0.030 . 2 . . . . 42 GLN HG2 . 11297 1 421 . 1 1 42 42 GLN HG3 H 1 2.203 0.030 . 2 . . . . 42 GLN HG3 . 11297 1 422 . 1 1 42 42 GLN C C 13 174.505 0.300 . 1 . . . . 42 GLN C . 11297 1 423 . 1 1 42 42 GLN CA C 13 57.335 0.300 . 1 . . . . 42 GLN CA . 11297 1 424 . 1 1 42 42 GLN CB C 13 25.432 0.300 . 1 . . . . 42 GLN CB . 11297 1 425 . 1 1 42 42 GLN CG C 13 34.039 0.300 . 1 . . . . 42 GLN CG . 11297 1 426 . 1 1 42 42 GLN N N 15 115.332 0.300 . 1 . . . . 42 GLN N . 11297 1 427 . 1 1 42 42 GLN NE2 N 15 113.734 0.300 . 1 . . . . 42 GLN NE2 . 11297 1 428 . 1 1 43 43 LEU H H 1 7.258 0.030 . 1 . . . . 43 LEU H . 11297 1 429 . 1 1 43 43 LEU HA H 1 4.768 0.030 . 1 . . . . 43 LEU HA . 11297 1 430 . 1 1 43 43 LEU HB2 H 1 1.532 0.030 . 2 . . . . 43 LEU HB2 . 11297 1 431 . 1 1 43 43 LEU HB3 H 1 1.032 0.030 . 2 . . . . 43 LEU HB3 . 11297 1 432 . 1 1 43 43 LEU HD11 H 1 0.754 0.030 . 1 . . . . 43 LEU HD1 . 11297 1 433 . 1 1 43 43 LEU HD12 H 1 0.754 0.030 . 1 . . . . 43 LEU HD1 . 11297 1 434 . 1 1 43 43 LEU HD13 H 1 0.754 0.030 . 1 . . . . 43 LEU HD1 . 11297 1 435 . 1 1 43 43 LEU HD21 H 1 0.727 0.030 . 1 . . . . 43 LEU HD2 . 11297 1 436 . 1 1 43 43 LEU HD22 H 1 0.727 0.030 . 1 . . . . 43 LEU HD2 . 11297 1 437 . 1 1 43 43 LEU HD23 H 1 0.727 0.030 . 1 . . . . 43 LEU HD2 . 11297 1 438 . 1 1 43 43 LEU HG H 1 1.432 0.030 . 1 . . . . 43 LEU HG . 11297 1 439 . 1 1 43 43 LEU C C 13 178.256 0.300 . 1 . . . . 43 LEU C . 11297 1 440 . 1 1 43 43 LEU CA C 13 53.948 0.300 . 1 . . . . 43 LEU CA . 11297 1 441 . 1 1 43 43 LEU CB C 13 43.979 0.300 . 1 . . . . 43 LEU CB . 11297 1 442 . 1 1 43 43 LEU CD1 C 13 25.059 0.300 . 2 . . . . 43 LEU CD1 . 11297 1 443 . 1 1 43 43 LEU CD2 C 13 23.829 0.300 . 2 . . . . 43 LEU CD2 . 11297 1 444 . 1 1 43 43 LEU CG C 13 26.027 0.300 . 1 . . . . 43 LEU CG . 11297 1 445 . 1 1 43 43 LEU N N 15 117.183 0.300 . 1 . . . . 43 LEU N . 11297 1 446 . 1 1 44 44 TYR H H 1 9.596 0.030 . 1 . . . . 44 TYR H . 11297 1 447 . 1 1 44 44 TYR HA H 1 5.108 0.030 . 1 . . . . 44 TYR HA . 11297 1 448 . 1 1 44 44 TYR HB2 H 1 2.857 0.030 . 2 . . . . 44 TYR HB2 . 11297 1 449 . 1 1 44 44 TYR HB3 H 1 2.757 0.030 . 2 . . . . 44 TYR HB3 . 11297 1 450 . 1 1 44 44 TYR HD1 H 1 7.253 0.030 . 1 . . . . 44 TYR HD1 . 11297 1 451 . 1 1 44 44 TYR HD2 H 1 7.253 0.030 . 1 . . . . 44 TYR HD2 . 11297 1 452 . 1 1 44 44 TYR HE1 H 1 7.053 0.030 . 1 . . . . 44 TYR HE1 . 11297 1 453 . 1 1 44 44 TYR HE2 H 1 7.053 0.030 . 1 . . . . 44 TYR HE2 . 11297 1 454 . 1 1 44 44 TYR C C 13 176.508 0.300 . 1 . . . . 44 TYR C . 11297 1 455 . 1 1 44 44 TYR CA C 13 57.976 0.300 . 1 . . . . 44 TYR CA . 11297 1 456 . 1 1 44 44 TYR CB C 13 40.159 0.300 . 1 . . . . 44 TYR CB . 11297 1 457 . 1 1 44 44 TYR CD1 C 13 133.904 0.300 . 1 . . . . 44 TYR CD1 . 11297 1 458 . 1 1 44 44 TYR CD2 C 13 133.904 0.300 . 1 . . . . 44 TYR CD2 . 11297 1 459 . 1 1 44 44 TYR CE1 C 13 118.197 0.300 . 1 . . . . 44 TYR CE1 . 11297 1 460 . 1 1 44 44 TYR CE2 C 13 118.197 0.300 . 1 . . . . 44 TYR CE2 . 11297 1 461 . 1 1 44 44 TYR N N 15 123.383 0.300 . 1 . . . . 44 TYR N . 11297 1 462 . 1 1 45 45 THR H H 1 8.941 0.030 . 1 . . . . 45 THR H . 11297 1 463 . 1 1 45 45 THR HA H 1 4.970 0.030 . 1 . . . . 45 THR HA . 11297 1 464 . 1 1 45 45 THR HB H 1 4.118 0.030 . 1 . . . . 45 THR HB . 11297 1 465 . 1 1 45 45 THR HG21 H 1 1.130 0.030 . 1 . . . . 45 THR HG2 . 11297 1 466 . 1 1 45 45 THR HG22 H 1 1.130 0.030 . 1 . . . . 45 THR HG2 . 11297 1 467 . 1 1 45 45 THR HG23 H 1 1.130 0.030 . 1 . . . . 45 THR HG2 . 11297 1 468 . 1 1 45 45 THR C C 13 174.190 0.300 . 1 . . . . 45 THR C . 11297 1 469 . 1 1 45 45 THR CA C 13 63.476 0.300 . 1 . . . . 45 THR CA . 11297 1 470 . 1 1 45 45 THR CB C 13 68.479 0.300 . 1 . . . . 45 THR CB . 11297 1 471 . 1 1 45 45 THR CG2 C 13 21.328 0.300 . 1 . . . . 45 THR CG2 . 11297 1 472 . 1 1 45 45 THR N N 15 119.729 0.300 . 1 . . . . 45 THR N . 11297 1 473 . 1 1 46 46 VAL H H 1 9.347 0.030 . 1 . . . . 46 VAL H . 11297 1 474 . 1 1 46 46 VAL HA H 1 5.423 0.030 . 1 . . . . 46 VAL HA . 11297 1 475 . 1 1 46 46 VAL HB H 1 1.735 0.030 . 1 . . . . 46 VAL HB . 11297 1 476 . 1 1 46 46 VAL HG11 H 1 0.688 0.030 . 1 . . . . 46 VAL HG1 . 11297 1 477 . 1 1 46 46 VAL HG12 H 1 0.688 0.030 . 1 . . . . 46 VAL HG1 . 11297 1 478 . 1 1 46 46 VAL HG13 H 1 0.688 0.030 . 1 . . . . 46 VAL HG1 . 11297 1 479 . 1 1 46 46 VAL HG21 H 1 0.679 0.030 . 1 . . . . 46 VAL HG2 . 11297 1 480 . 1 1 46 46 VAL HG22 H 1 0.679 0.030 . 1 . . . . 46 VAL HG2 . 11297 1 481 . 1 1 46 46 VAL HG23 H 1 0.679 0.030 . 1 . . . . 46 VAL HG2 . 11297 1 482 . 1 1 46 46 VAL C C 13 172.952 0.300 . 1 . . . . 46 VAL C . 11297 1 483 . 1 1 46 46 VAL CA C 13 57.951 0.300 . 1 . . . . 46 VAL CA . 11297 1 484 . 1 1 46 46 VAL CB C 13 34.247 0.300 . 1 . . . . 46 VAL CB . 11297 1 485 . 1 1 46 46 VAL CG1 C 13 21.575 0.300 . 2 . . . . 46 VAL CG1 . 11297 1 486 . 1 1 46 46 VAL CG2 C 13 18.849 0.300 . 2 . . . . 46 VAL CG2 . 11297 1 487 . 1 1 46 46 VAL N N 15 121.222 0.300 . 1 . . . . 46 VAL N . 11297 1 488 . 1 1 47 47 LYS H H 1 8.826 0.030 . 1 . . . . 47 LYS H . 11297 1 489 . 1 1 47 47 LYS HA H 1 5.457 0.030 . 1 . . . . 47 LYS HA . 11297 1 490 . 1 1 47 47 LYS HB2 H 1 1.821 0.030 . 2 . . . . 47 LYS HB2 . 11297 1 491 . 1 1 47 47 LYS HB3 H 1 1.587 0.030 . 2 . . . . 47 LYS HB3 . 11297 1 492 . 1 1 47 47 LYS HD2 H 1 1.751 0.030 . 2 . . . . 47 LYS HD2 . 11297 1 493 . 1 1 47 47 LYS HD3 H 1 1.708 0.030 . 2 . . . . 47 LYS HD3 . 11297 1 494 . 1 1 47 47 LYS HE2 H 1 2.974 0.030 . 1 . . . . 47 LYS HE2 . 11297 1 495 . 1 1 47 47 LYS HE3 H 1 2.974 0.030 . 1 . . . . 47 LYS HE3 . 11297 1 496 . 1 1 47 47 LYS HG2 H 1 1.597 0.030 . 2 . . . . 47 LYS HG2 . 11297 1 497 . 1 1 47 47 LYS HG3 H 1 1.392 0.030 . 2 . . . . 47 LYS HG3 . 11297 1 498 . 1 1 47 47 LYS C C 13 176.873 0.300 . 1 . . . . 47 LYS C . 11297 1 499 . 1 1 47 47 LYS CA C 13 54.390 0.300 . 1 . . . . 47 LYS CA . 11297 1 500 . 1 1 47 47 LYS CB C 13 36.987 0.300 . 1 . . . . 47 LYS CB . 11297 1 501 . 1 1 47 47 LYS CD C 13 29.963 0.300 . 1 . . . . 47 LYS CD . 11297 1 502 . 1 1 47 47 LYS CE C 13 41.961 0.300 . 1 . . . . 47 LYS CE . 11297 1 503 . 1 1 47 47 LYS CG C 13 24.505 0.300 . 1 . . . . 47 LYS CG . 11297 1 504 . 1 1 47 47 LYS N N 15 120.157 0.300 . 1 . . . . 47 LYS N . 11297 1 505 . 1 1 48 48 TYR H H 1 9.346 0.030 . 1 . . . . 48 TYR H . 11297 1 506 . 1 1 48 48 TYR HA H 1 4.944 0.030 . 1 . . . . 48 TYR HA . 11297 1 507 . 1 1 48 48 TYR HB2 H 1 3.263 0.030 . 2 . . . . 48 TYR HB2 . 11297 1 508 . 1 1 48 48 TYR HB3 H 1 3.153 0.030 . 2 . . . . 48 TYR HB3 . 11297 1 509 . 1 1 48 48 TYR HD1 H 1 7.428 0.030 . 1 . . . . 48 TYR HD1 . 11297 1 510 . 1 1 48 48 TYR HD2 H 1 7.428 0.030 . 1 . . . . 48 TYR HD2 . 11297 1 511 . 1 1 48 48 TYR HE1 H 1 6.710 0.030 . 1 . . . . 48 TYR HE1 . 11297 1 512 . 1 1 48 48 TYR HE2 H 1 6.710 0.030 . 1 . . . . 48 TYR HE2 . 11297 1 513 . 1 1 48 48 TYR C C 13 177.431 0.300 . 1 . . . . 48 TYR C . 11297 1 514 . 1 1 48 48 TYR CA C 13 57.144 0.300 . 1 . . . . 48 TYR CA . 11297 1 515 . 1 1 48 48 TYR CB C 13 40.067 0.300 . 1 . . . . 48 TYR CB . 11297 1 516 . 1 1 48 48 TYR CD1 C 13 133.451 0.300 . 1 . . . . 48 TYR CD1 . 11297 1 517 . 1 1 48 48 TYR CD2 C 13 133.451 0.300 . 1 . . . . 48 TYR CD2 . 11297 1 518 . 1 1 48 48 TYR CE1 C 13 118.682 0.300 . 1 . . . . 48 TYR CE1 . 11297 1 519 . 1 1 48 48 TYR CE2 C 13 118.682 0.300 . 1 . . . . 48 TYR CE2 . 11297 1 520 . 1 1 48 48 TYR N N 15 128.177 0.300 . 1 . . . . 48 TYR N . 11297 1 521 . 1 1 49 49 LYS H H 1 8.278 0.030 . 1 . . . . 49 LYS H . 11297 1 522 . 1 1 49 49 LYS HA H 1 4.042 0.030 . 1 . . . . 49 LYS HA . 11297 1 523 . 1 1 49 49 LYS HB2 H 1 1.825 0.030 . 2 . . . . 49 LYS HB2 . 11297 1 524 . 1 1 49 49 LYS HB3 H 1 1.759 0.030 . 2 . . . . 49 LYS HB3 . 11297 1 525 . 1 1 49 49 LYS HD2 H 1 1.628 0.030 . 1 . . . . 49 LYS HD2 . 11297 1 526 . 1 1 49 49 LYS HD3 H 1 1.628 0.030 . 1 . . . . 49 LYS HD3 . 11297 1 527 . 1 1 49 49 LYS HE2 H 1 2.941 0.030 . 1 . . . . 49 LYS HE2 . 11297 1 528 . 1 1 49 49 LYS HE3 H 1 2.941 0.030 . 1 . . . . 49 LYS HE3 . 11297 1 529 . 1 1 49 49 LYS HG2 H 1 1.302 0.030 . 2 . . . . 49 LYS HG2 . 11297 1 530 . 1 1 49 49 LYS HG3 H 1 1.108 0.030 . 2 . . . . 49 LYS HG3 . 11297 1 531 . 1 1 49 49 LYS C C 13 176.860 0.300 . 1 . . . . 49 LYS C . 11297 1 532 . 1 1 49 49 LYS CA C 13 58.974 0.300 . 1 . . . . 49 LYS CA . 11297 1 533 . 1 1 49 49 LYS CB C 13 31.743 0.300 . 1 . . . . 49 LYS CB . 11297 1 534 . 1 1 49 49 LYS CD C 13 28.856 0.300 . 1 . . . . 49 LYS CD . 11297 1 535 . 1 1 49 49 LYS CE C 13 41.965 0.300 . 1 . . . . 49 LYS CE . 11297 1 536 . 1 1 49 49 LYS CG C 13 24.031 0.300 . 1 . . . . 49 LYS CG . 11297 1 537 . 1 1 49 49 LYS N N 15 122.895 0.300 . 1 . . . . 49 LYS N . 11297 1 538 . 1 1 50 50 ASP H H 1 7.448 0.030 . 1 . . . . 50 ASP H . 11297 1 539 . 1 1 50 50 ASP HA H 1 4.514 0.030 . 1 . . . . 50 ASP HA . 11297 1 540 . 1 1 50 50 ASP HB2 H 1 3.100 0.030 . 2 . . . . 50 ASP HB2 . 11297 1 541 . 1 1 50 50 ASP HB3 H 1 2.542 0.030 . 2 . . . . 50 ASP HB3 . 11297 1 542 . 1 1 50 50 ASP C C 13 176.873 0.300 . 1 . . . . 50 ASP C . 11297 1 543 . 1 1 50 50 ASP CA C 13 53.505 0.300 . 1 . . . . 50 ASP CA . 11297 1 544 . 1 1 50 50 ASP CB C 13 39.942 0.300 . 1 . . . . 50 ASP CB . 11297 1 545 . 1 1 50 50 ASP N N 15 116.864 0.300 . 1 . . . . 50 ASP N . 11297 1 546 . 1 1 51 51 GLY H H 1 8.399 0.030 . 1 . . . . 51 GLY H . 11297 1 547 . 1 1 51 51 GLY HA2 H 1 4.510 0.030 . 2 . . . . 51 GLY HA2 . 11297 1 548 . 1 1 51 51 GLY HA3 H 1 3.502 0.030 . 2 . . . . 51 GLY HA3 . 11297 1 549 . 1 1 51 51 GLY C C 13 174.736 0.300 . 1 . . . . 51 GLY C . 11297 1 550 . 1 1 51 51 GLY CA C 13 44.896 0.300 . 1 . . . . 51 GLY CA . 11297 1 551 . 1 1 51 51 GLY N N 15 108.854 0.300 . 1 . . . . 51 GLY N . 11297 1 552 . 1 1 52 52 THR H H 1 8.344 0.030 . 1 . . . . 52 THR H . 11297 1 553 . 1 1 52 52 THR HA H 1 3.960 0.030 . 1 . . . . 52 THR HA . 11297 1 554 . 1 1 52 52 THR HB H 1 4.212 0.030 . 1 . . . . 52 THR HB . 11297 1 555 . 1 1 52 52 THR HG21 H 1 1.212 0.030 . 1 . . . . 52 THR HG2 . 11297 1 556 . 1 1 52 52 THR HG22 H 1 1.212 0.030 . 1 . . . . 52 THR HG2 . 11297 1 557 . 1 1 52 52 THR HG23 H 1 1.212 0.030 . 1 . . . . 52 THR HG2 . 11297 1 558 . 1 1 52 52 THR C C 13 173.158 0.300 . 1 . . . . 52 THR C . 11297 1 559 . 1 1 52 52 THR CA C 13 65.513 0.300 . 1 . . . . 52 THR CA . 11297 1 560 . 1 1 52 52 THR CB C 13 69.123 0.300 . 1 . . . . 52 THR CB . 11297 1 561 . 1 1 52 52 THR CG2 C 13 21.523 0.300 . 1 . . . . 52 THR CG2 . 11297 1 562 . 1 1 52 52 THR N N 15 119.716 0.300 . 1 . . . . 52 THR N . 11297 1 563 . 1 1 53 53 GLU H H 1 8.513 0.030 . 1 . . . . 53 GLU H . 11297 1 564 . 1 1 53 53 GLU HA H 1 5.773 0.030 . 1 . . . . 53 GLU HA . 11297 1 565 . 1 1 53 53 GLU HB2 H 1 1.825 0.030 . 1 . . . . 53 GLU HB2 . 11297 1 566 . 1 1 53 53 GLU HB3 H 1 1.825 0.030 . 1 . . . . 53 GLU HB3 . 11297 1 567 . 1 1 53 53 GLU HG2 H 1 2.400 0.030 . 2 . . . . 53 GLU HG2 . 11297 1 568 . 1 1 53 53 GLU HG3 H 1 2.005 0.030 . 2 . . . . 53 GLU HG3 . 11297 1 569 . 1 1 53 53 GLU C C 13 176.095 0.300 . 1 . . . . 53 GLU C . 11297 1 570 . 1 1 53 53 GLU CA C 13 54.387 0.300 . 1 . . . . 53 GLU CA . 11297 1 571 . 1 1 53 53 GLU CB C 13 32.002 0.300 . 1 . . . . 53 GLU CB . 11297 1 572 . 1 1 53 53 GLU CG C 13 36.523 0.300 . 1 . . . . 53 GLU CG . 11297 1 573 . 1 1 53 53 GLU N N 15 126.023 0.300 . 1 . . . . 53 GLU N . 11297 1 574 . 1 1 54 54 LEU H H 1 8.531 0.030 . 1 . . . . 54 LEU H . 11297 1 575 . 1 1 54 54 LEU HA H 1 4.718 0.030 . 1 . . . . 54 LEU HA . 11297 1 576 . 1 1 54 54 LEU HB2 H 1 1.536 0.030 . 2 . . . . 54 LEU HB2 . 11297 1 577 . 1 1 54 54 LEU HB3 H 1 1.428 0.030 . 2 . . . . 54 LEU HB3 . 11297 1 578 . 1 1 54 54 LEU HD11 H 1 0.453 0.030 . 1 . . . . 54 LEU HD1 . 11297 1 579 . 1 1 54 54 LEU HD12 H 1 0.453 0.030 . 1 . . . . 54 LEU HD1 . 11297 1 580 . 1 1 54 54 LEU HD13 H 1 0.453 0.030 . 1 . . . . 54 LEU HD1 . 11297 1 581 . 1 1 54 54 LEU HD21 H 1 0.330 0.030 . 1 . . . . 54 LEU HD2 . 11297 1 582 . 1 1 54 54 LEU HD22 H 1 0.330 0.030 . 1 . . . . 54 LEU HD2 . 11297 1 583 . 1 1 54 54 LEU HD23 H 1 0.330 0.030 . 1 . . . . 54 LEU HD2 . 11297 1 584 . 1 1 54 54 LEU HG H 1 1.313 0.030 . 1 . . . . 54 LEU HG . 11297 1 585 . 1 1 54 54 LEU C C 13 174.991 0.300 . 1 . . . . 54 LEU C . 11297 1 586 . 1 1 54 54 LEU CA C 13 53.832 0.300 . 1 . . . . 54 LEU CA . 11297 1 587 . 1 1 54 54 LEU CB C 13 45.802 0.300 . 1 . . . . 54 LEU CB . 11297 1 588 . 1 1 54 54 LEU CD1 C 13 24.519 0.300 . 2 . . . . 54 LEU CD1 . 11297 1 589 . 1 1 54 54 LEU CD2 C 13 24.734 0.300 . 2 . . . . 54 LEU CD2 . 11297 1 590 . 1 1 54 54 LEU CG C 13 26.520 0.300 . 1 . . . . 54 LEU CG . 11297 1 591 . 1 1 54 54 LEU N N 15 121.229 0.300 . 1 . . . . 54 LEU N . 11297 1 592 . 1 1 55 55 GLU H H 1 8.101 0.030 . 1 . . . . 55 GLU H . 11297 1 593 . 1 1 55 55 GLU HA H 1 5.616 0.030 . 1 . . . . 55 GLU HA . 11297 1 594 . 1 1 55 55 GLU HB2 H 1 1.941 0.030 . 2 . . . . 55 GLU HB2 . 11297 1 595 . 1 1 55 55 GLU HB3 H 1 1.783 0.030 . 2 . . . . 55 GLU HB3 . 11297 1 596 . 1 1 55 55 GLU HG2 H 1 2.197 0.030 . 2 . . . . 55 GLU HG2 . 11297 1 597 . 1 1 55 55 GLU HG3 H 1 2.100 0.030 . 2 . . . . 55 GLU HG3 . 11297 1 598 . 1 1 55 55 GLU C C 13 175.962 0.300 . 1 . . . . 55 GLU C . 11297 1 599 . 1 1 55 55 GLU CA C 13 54.726 0.300 . 1 . . . . 55 GLU CA . 11297 1 600 . 1 1 55 55 GLU CB C 13 32.114 0.300 . 1 . . . . 55 GLU CB . 11297 1 601 . 1 1 55 55 GLU CG C 13 37.178 0.300 . 1 . . . . 55 GLU CG . 11297 1 602 . 1 1 55 55 GLU N N 15 118.897 0.300 . 1 . . . . 55 GLU N . 11297 1 603 . 1 1 56 56 LEU H H 1 9.280 0.030 . 1 . . . . 56 LEU H . 11297 1 604 . 1 1 56 56 LEU HA H 1 4.897 0.030 . 1 . . . . 56 LEU HA . 11297 1 605 . 1 1 56 56 LEU HB2 H 1 1.723 0.030 . 2 . . . . 56 LEU HB2 . 11297 1 606 . 1 1 56 56 LEU HB3 H 1 1.488 0.030 . 2 . . . . 56 LEU HB3 . 11297 1 607 . 1 1 56 56 LEU HD11 H 1 0.950 0.030 . 1 . . . . 56 LEU HD1 . 11297 1 608 . 1 1 56 56 LEU HD12 H 1 0.950 0.030 . 1 . . . . 56 LEU HD1 . 11297 1 609 . 1 1 56 56 LEU HD13 H 1 0.950 0.030 . 1 . . . . 56 LEU HD1 . 11297 1 610 . 1 1 56 56 LEU HD21 H 1 0.763 0.030 . 1 . . . . 56 LEU HD2 . 11297 1 611 . 1 1 56 56 LEU HD22 H 1 0.763 0.030 . 1 . . . . 56 LEU HD2 . 11297 1 612 . 1 1 56 56 LEU HD23 H 1 0.763 0.030 . 1 . . . . 56 LEU HD2 . 11297 1 613 . 1 1 56 56 LEU HG H 1 1.511 0.030 . 1 . . . . 56 LEU HG . 11297 1 614 . 1 1 56 56 LEU C C 13 176.642 0.300 . 1 . . . . 56 LEU C . 11297 1 615 . 1 1 56 56 LEU CA C 13 53.309 0.300 . 1 . . . . 56 LEU CA . 11297 1 616 . 1 1 56 56 LEU CB C 13 47.143 0.300 . 1 . . . . 56 LEU CB . 11297 1 617 . 1 1 56 56 LEU CD1 C 13 23.372 0.300 . 2 . . . . 56 LEU CD1 . 11297 1 618 . 1 1 56 56 LEU CD2 C 13 26.523 0.300 . 2 . . . . 56 LEU CD2 . 11297 1 619 . 1 1 56 56 LEU CG C 13 27.138 0.300 . 1 . . . . 56 LEU CG . 11297 1 620 . 1 1 56 56 LEU N N 15 122.750 0.300 . 1 . . . . 56 LEU N . 11297 1 621 . 1 1 57 57 LYS H H 1 9.032 0.030 . 1 . . . . 57 LYS H . 11297 1 622 . 1 1 57 57 LYS HA H 1 4.718 0.030 . 1 . . . . 57 LYS HA . 11297 1 623 . 1 1 57 57 LYS HB2 H 1 2.136 0.030 . 2 . . . . 57 LYS HB2 . 11297 1 624 . 1 1 57 57 LYS HB3 H 1 1.887 0.030 . 2 . . . . 57 LYS HB3 . 11297 1 625 . 1 1 57 57 LYS HD2 H 1 1.824 0.030 . 2 . . . . 57 LYS HD2 . 11297 1 626 . 1 1 57 57 LYS HD3 H 1 1.779 0.030 . 2 . . . . 57 LYS HD3 . 11297 1 627 . 1 1 57 57 LYS HE2 H 1 3.078 0.030 . 2 . . . . 57 LYS HE2 . 11297 1 628 . 1 1 57 57 LYS HE3 H 1 3.059 0.030 . 2 . . . . 57 LYS HE3 . 11297 1 629 . 1 1 57 57 LYS HG2 H 1 1.626 0.030 . 2 . . . . 57 LYS HG2 . 11297 1 630 . 1 1 57 57 LYS HG3 H 1 1.581 0.030 . 2 . . . . 57 LYS HG3 . 11297 1 631 . 1 1 57 57 LYS C C 13 178.390 0.300 . 1 . . . . 57 LYS C . 11297 1 632 . 1 1 57 57 LYS CA C 13 55.675 0.300 . 1 . . . . 57 LYS CA . 11297 1 633 . 1 1 57 57 LYS CB C 13 33.803 0.300 . 1 . . . . 57 LYS CB . 11297 1 634 . 1 1 57 57 LYS CD C 13 29.356 0.300 . 1 . . . . 57 LYS CD . 11297 1 635 . 1 1 57 57 LYS CE C 13 41.992 0.300 . 1 . . . . 57 LYS CE . 11297 1 636 . 1 1 57 57 LYS CG C 13 25.552 0.300 . 1 . . . . 57 LYS CG . 11297 1 637 . 1 1 57 57 LYS N N 15 120.740 0.300 . 1 . . . . 57 LYS N . 11297 1 638 . 1 1 58 58 GLU H H 1 9.616 0.030 . 1 . . . . 58 GLU H . 11297 1 639 . 1 1 58 58 GLU HA H 1 4.050 0.030 . 1 . . . . 58 GLU HA . 11297 1 640 . 1 1 58 58 GLU HB2 H 1 2.634 0.030 . 2 . . . . 58 GLU HB2 . 11297 1 641 . 1 1 58 58 GLU HB3 H 1 2.379 0.030 . 2 . . . . 58 GLU HB3 . 11297 1 642 . 1 1 58 58 GLU HG2 H 1 2.551 0.030 . 2 . . . . 58 GLU HG2 . 11297 1 643 . 1 1 58 58 GLU HG3 H 1 2.466 0.030 . 2 . . . . 58 GLU HG3 . 11297 1 644 . 1 1 58 58 GLU C C 13 177.528 0.300 . 1 . . . . 58 GLU C . 11297 1 645 . 1 1 58 58 GLU CA C 13 60.843 0.300 . 1 . . . . 58 GLU CA . 11297 1 646 . 1 1 58 58 GLU CB C 13 31.122 0.300 . 1 . . . . 58 GLU CB . 11297 1 647 . 1 1 58 58 GLU CG C 13 38.435 0.300 . 1 . . . . 58 GLU CG . 11297 1 648 . 1 1 58 58 GLU N N 15 121.276 0.300 . 1 . . . . 58 GLU N . 11297 1 649 . 1 1 59 59 ASN H H 1 8.307 0.030 . 1 . . . . 59 ASN H . 11297 1 650 . 1 1 59 59 ASN HA H 1 4.730 0.030 . 1 . . . . 59 ASN HA . 11297 1 651 . 1 1 59 59 ASN HB2 H 1 2.875 0.030 . 1 . . . . 59 ASN HB2 . 11297 1 652 . 1 1 59 59 ASN HB3 H 1 2.875 0.030 . 1 . . . . 59 ASN HB3 . 11297 1 653 . 1 1 59 59 ASN HD21 H 1 7.641 0.030 . 2 . . . . 59 ASN HD21 . 11297 1 654 . 1 1 59 59 ASN HD22 H 1 6.925 0.030 . 2 . . . . 59 ASN HD22 . 11297 1 655 . 1 1 59 59 ASN C C 13 175.780 0.300 . 1 . . . . 59 ASN C . 11297 1 656 . 1 1 59 59 ASN CA C 13 54.734 0.300 . 1 . . . . 59 ASN CA . 11297 1 657 . 1 1 59 59 ASN CB C 13 37.759 0.300 . 1 . . . . 59 ASN CB . 11297 1 658 . 1 1 59 59 ASN N N 15 110.718 0.300 . 1 . . . . 59 ASN N . 11297 1 659 . 1 1 59 59 ASN ND2 N 15 112.628 0.300 . 1 . . . . 59 ASN ND2 . 11297 1 660 . 1 1 60 60 ASP H H 1 7.995 0.030 . 1 . . . . 60 ASP H . 11297 1 661 . 1 1 60 60 ASP HA H 1 5.003 0.030 . 1 . . . . 60 ASP HA . 11297 1 662 . 1 1 60 60 ASP HB2 H 1 3.168 0.030 . 2 . . . . 60 ASP HB2 . 11297 1 663 . 1 1 60 60 ASP HB3 H 1 2.913 0.030 . 2 . . . . 60 ASP HB3 . 11297 1 664 . 1 1 60 60 ASP C C 13 173.000 0.300 . 1 . . . . 60 ASP C . 11297 1 665 . 1 1 60 60 ASP CA C 13 54.826 0.300 . 1 . . . . 60 ASP CA . 11297 1 666 . 1 1 60 60 ASP CB C 13 42.833 0.300 . 1 . . . . 60 ASP CB . 11297 1 667 . 1 1 60 60 ASP N N 15 119.829 0.300 . 1 . . . . 60 ASP N . 11297 1 668 . 1 1 61 61 ILE H H 1 7.568 0.030 . 1 . . . . 61 ILE H . 11297 1 669 . 1 1 61 61 ILE HA H 1 4.890 0.030 . 1 . . . . 61 ILE HA . 11297 1 670 . 1 1 61 61 ILE HB H 1 1.469 0.030 . 1 . . . . 61 ILE HB . 11297 1 671 . 1 1 61 61 ILE HD11 H 1 0.134 0.030 . 1 . . . . 61 ILE HD1 . 11297 1 672 . 1 1 61 61 ILE HD12 H 1 0.134 0.030 . 1 . . . . 61 ILE HD1 . 11297 1 673 . 1 1 61 61 ILE HD13 H 1 0.134 0.030 . 1 . . . . 61 ILE HD1 . 11297 1 674 . 1 1 61 61 ILE HG12 H 1 1.508 0.030 . 2 . . . . 61 ILE HG12 . 11297 1 675 . 1 1 61 61 ILE HG13 H 1 0.393 0.030 . 2 . . . . 61 ILE HG13 . 11297 1 676 . 1 1 61 61 ILE HG21 H 1 -0.224 0.030 . 1 . . . . 61 ILE HG2 . 11297 1 677 . 1 1 61 61 ILE HG22 H 1 -0.224 0.030 . 1 . . . . 61 ILE HG2 . 11297 1 678 . 1 1 61 61 ILE HG23 H 1 -0.224 0.030 . 1 . . . . 61 ILE HG2 . 11297 1 679 . 1 1 61 61 ILE C C 13 174.967 0.300 . 1 . . . . 61 ILE C . 11297 1 680 . 1 1 61 61 ILE CA C 13 60.169 0.300 . 1 . . . . 61 ILE CA . 11297 1 681 . 1 1 61 61 ILE CB C 13 40.049 0.300 . 1 . . . . 61 ILE CB . 11297 1 682 . 1 1 61 61 ILE CD1 C 13 13.896 0.300 . 1 . . . . 61 ILE CD1 . 11297 1 683 . 1 1 61 61 ILE CG1 C 13 28.035 0.300 . 1 . . . . 61 ILE CG1 . 11297 1 684 . 1 1 61 61 ILE CG2 C 13 18.185 0.300 . 1 . . . . 61 ILE CG2 . 11297 1 685 . 1 1 61 61 ILE N N 15 119.804 0.300 . 1 . . . . 61 ILE N . 11297 1 686 . 1 1 62 62 LYS H H 1 9.100 0.030 . 1 . . . . 62 LYS H . 11297 1 687 . 1 1 62 62 LYS HA H 1 4.767 0.030 . 1 . . . . 62 LYS HA . 11297 1 688 . 1 1 62 62 LYS HB2 H 1 1.703 0.030 . 2 . . . . 62 LYS HB2 . 11297 1 689 . 1 1 62 62 LYS HB3 H 1 1.430 0.030 . 2 . . . . 62 LYS HB3 . 11297 1 690 . 1 1 62 62 LYS HD2 H 1 1.212 0.030 . 2 . . . . 62 LYS HD2 . 11297 1 691 . 1 1 62 62 LYS HD3 H 1 1.050 0.030 . 2 . . . . 62 LYS HD3 . 11297 1 692 . 1 1 62 62 LYS HE2 H 1 2.423 0.030 . 2 . . . . 62 LYS HE2 . 11297 1 693 . 1 1 62 62 LYS HE3 H 1 2.190 0.030 . 2 . . . . 62 LYS HE3 . 11297 1 694 . 1 1 62 62 LYS HG2 H 1 1.150 0.030 . 2 . . . . 62 LYS HG2 . 11297 1 695 . 1 1 62 62 LYS HG3 H 1 1.069 0.030 . 2 . . . . 62 LYS HG3 . 11297 1 696 . 1 1 62 62 LYS C C 13 175.137 0.300 . 1 . . . . 62 LYS C . 11297 1 697 . 1 1 62 62 LYS CA C 13 54.443 0.300 . 1 . . . . 62 LYS CA . 11297 1 698 . 1 1 62 62 LYS CB C 13 36.148 0.300 . 1 . . . . 62 LYS CB . 11297 1 699 . 1 1 62 62 LYS CD C 13 29.227 0.300 . 1 . . . . 62 LYS CD . 11297 1 700 . 1 1 62 62 LYS CE C 13 41.610 0.300 . 1 . . . . 62 LYS CE . 11297 1 701 . 1 1 62 62 LYS CG C 13 24.599 0.300 . 1 . . . . 62 LYS CG . 11297 1 702 . 1 1 62 62 LYS N N 15 124.462 0.300 . 1 . . . . 62 LYS N . 11297 1 703 . 1 1 63 63 SER H H 1 8.601 0.030 . 1 . . . . 63 SER H . 11297 1 704 . 1 1 63 63 SER HA H 1 4.454 0.030 . 1 . . . . 63 SER HA . 11297 1 705 . 1 1 63 63 SER HB2 H 1 3.980 0.030 . 1 . . . . 63 SER HB2 . 11297 1 706 . 1 1 63 63 SER HB3 H 1 3.980 0.030 . 1 . . . . 63 SER HB3 . 11297 1 707 . 1 1 63 63 SER CA C 13 58.800 0.300 . 1 . . . . 63 SER CA . 11297 1 708 . 1 1 63 63 SER CB C 13 64.359 0.300 . 1 . . . . 63 SER CB . 11297 1 709 . 1 1 63 63 SER N N 15 115.706 0.300 . 1 . . . . 63 SER N . 11297 1 710 . 1 1 64 64 GLY H H 1 8.666 0.030 . 1 . . . . 64 GLY H . 11297 1 711 . 1 1 64 64 GLY HA2 H 1 4.094 0.030 . 2 . . . . 64 GLY HA2 . 11297 1 712 . 1 1 64 64 GLY HA3 H 1 4.035 0.030 . 2 . . . . 64 GLY HA3 . 11297 1 713 . 1 1 64 64 GLY CA C 13 44.598 0.300 . 1 . . . . 64 GLY CA . 11297 1 714 . 1 1 64 64 GLY N N 15 109.853 0.300 . 1 . . . . 64 GLY N . 11297 1 715 . 1 1 65 65 PRO HA H 1 4.426 0.030 . 1 . . . . 65 PRO HA . 11297 1 716 . 1 1 65 65 PRO HB2 H 1 2.224 0.030 . 2 . . . . 65 PRO HB2 . 11297 1 717 . 1 1 65 65 PRO HB3 H 1 1.964 0.030 . 2 . . . . 65 PRO HB3 . 11297 1 718 . 1 1 65 65 PRO HD2 H 1 3.578 0.030 . 2 . . . . 65 PRO HD2 . 11297 1 719 . 1 1 65 65 PRO HD3 H 1 3.477 0.030 . 2 . . . . 65 PRO HD3 . 11297 1 720 . 1 1 65 65 PRO HG2 H 1 1.961 0.030 . 1 . . . . 65 PRO HG2 . 11297 1 721 . 1 1 65 65 PRO HG3 H 1 1.961 0.030 . 1 . . . . 65 PRO HG3 . 11297 1 722 . 1 1 65 65 PRO CA C 13 63.153 0.300 . 1 . . . . 65 PRO CA . 11297 1 723 . 1 1 65 65 PRO CB C 13 32.222 0.300 . 1 . . . . 65 PRO CB . 11297 1 724 . 1 1 65 65 PRO CD C 13 49.692 0.300 . 1 . . . . 65 PRO CD . 11297 1 725 . 1 1 65 65 PRO CG C 13 27.050 0.300 . 1 . . . . 65 PRO CG . 11297 1 stop_ save_