data_11276 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11276 _Entry.Title ; Solution Structure of the CUE Domain in the Human CUE Domain Containing Protein 1 (CUEDC1) ; _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 . . . 11276 2 T. Kigawa . . . 11276 3 M. Sato . . . 11276 4 S. Koshiba . . . 11276 5 M. Inoue . . . 11276 6 S. Yokoyama . . . 11276 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)' . 11276 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11276 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 261 11276 '15N chemical shifts' 64 11276 '1H chemical shifts' 407 11276 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 . 11276 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DHY 'BMRB Entry Tracking System' 11276 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11276 _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 CUE Domain in the Human CUE Domain Containing Protein 1 (CUEDC1) ; _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 . . . 11276 1 2 T. Kigawa . . . 11276 1 3 M. Sato . . . 11276 1 4 S. Koshiba . . . 11276 1 5 M. Inoue . . . 11276 1 6 S. Yokoyama . . . 11276 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11276 _Assembly.ID 1 _Assembly.Name 'CUE domain-containing protein 1' _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 'CUE domain' 1 $entity_1 A . yes native no no . . . 11276 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 2dhy . . . . . . 11276 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11276 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CUE 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 ; GSSGSSGRPARQVRRLEFNQ AMDDFKTMFPNMDYDIIECV LRANSGAVDATIDQLLQMNL ESGPSSG ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DHY . "Solution Structure Of The Cue Domain In The Human Cue Domain Containing Protein 1 (Cuedc1)" . . . . . 100.00 67 100.00 100.00 2.10e-40 . . . . 11276 1 2 no DBJ BAE36984 . "unnamed protein product [Mus musculus]" . . . . . 62.69 267 97.62 100.00 1.11e-19 . . . . 11276 1 3 no GB EDL15842 . "CUE domain containing 1 [Mus musculus]" . . . . . 83.58 409 98.21 100.00 3.68e-30 . . . . 11276 1 4 no GB EGV99583 . "CUE domain-containing protein 1 [Cricetulus griseus]" . . . . . 62.69 334 97.62 100.00 9.55e-20 . . . . 11276 1 5 no GB EHB16284 . "CUE domain-containing protein 1 [Heterocephalus glaber]" . . . . . 83.58 416 98.21 98.21 4.29e-29 . . . . 11276 1 6 no GB ELK01705 . "CUE domain-containing protein 1 [Pteropus alecto]" . . . . . 62.69 281 97.62 97.62 1.95e-19 . . . . 11276 1 7 no GB ELK35932 . "CUE domain-containing protein 1 [Myotis davidii]" . . . . . 62.69 314 97.62 97.62 2.56e-19 . . . . 11276 1 8 no REF XP_002748438 . "PREDICTED: CUE domain-containing protein 1 [Callithrix jacchus]" . . . . . 83.58 386 98.21 98.21 2.08e-29 . . . . 11276 1 9 no REF XP_003795613 . "PREDICTED: CUE domain-containing protein 1 [Otolemur garnettii]" . . . . . 83.58 387 98.21 98.21 1.27e-29 . . . . 11276 1 10 no REF XP_004329673 . "PREDICTED: CUE domain-containing protein 1-like, partial [Tursiops truncatus]" . . . . . 83.58 413 98.21 100.00 5.76e-30 . . . . 11276 1 11 no REF XP_004645329 . "PREDICTED: CUE domain-containing protein 1 isoform X1 [Octodon degus]" . . . . . 83.58 384 98.21 98.21 9.11e-30 . . . . 11276 1 12 no REF XP_004645330 . "PREDICTED: CUE domain-containing protein 1 isoform X2 [Octodon degus]" . . . . . 83.58 381 98.21 98.21 9.55e-30 . . . . 11276 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CUE domain' . 11276 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 . 11276 1 2 . SER . 11276 1 3 . SER . 11276 1 4 . GLY . 11276 1 5 . SER . 11276 1 6 . SER . 11276 1 7 . GLY . 11276 1 8 . ARG . 11276 1 9 . PRO . 11276 1 10 . ALA . 11276 1 11 . ARG . 11276 1 12 . GLN . 11276 1 13 . VAL . 11276 1 14 . ARG . 11276 1 15 . ARG . 11276 1 16 . LEU . 11276 1 17 . GLU . 11276 1 18 . PHE . 11276 1 19 . ASN . 11276 1 20 . GLN . 11276 1 21 . ALA . 11276 1 22 . MET . 11276 1 23 . ASP . 11276 1 24 . ASP . 11276 1 25 . PHE . 11276 1 26 . LYS . 11276 1 27 . THR . 11276 1 28 . MET . 11276 1 29 . PHE . 11276 1 30 . PRO . 11276 1 31 . ASN . 11276 1 32 . MET . 11276 1 33 . ASP . 11276 1 34 . TYR . 11276 1 35 . ASP . 11276 1 36 . ILE . 11276 1 37 . ILE . 11276 1 38 . GLU . 11276 1 39 . CYS . 11276 1 40 . VAL . 11276 1 41 . LEU . 11276 1 42 . ARG . 11276 1 43 . ALA . 11276 1 44 . ASN . 11276 1 45 . SER . 11276 1 46 . GLY . 11276 1 47 . ALA . 11276 1 48 . VAL . 11276 1 49 . ASP . 11276 1 50 . ALA . 11276 1 51 . THR . 11276 1 52 . ILE . 11276 1 53 . ASP . 11276 1 54 . GLN . 11276 1 55 . LEU . 11276 1 56 . LEU . 11276 1 57 . GLN . 11276 1 58 . MET . 11276 1 59 . ASN . 11276 1 60 . LEU . 11276 1 61 . GLU . 11276 1 62 . SER . 11276 1 63 . GLY . 11276 1 64 . PRO . 11276 1 65 . SER . 11276 1 66 . SER . 11276 1 67 . GLY . 11276 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 11276 1 . SER 2 2 11276 1 . SER 3 3 11276 1 . GLY 4 4 11276 1 . SER 5 5 11276 1 . SER 6 6 11276 1 . GLY 7 7 11276 1 . ARG 8 8 11276 1 . PRO 9 9 11276 1 . ALA 10 10 11276 1 . ARG 11 11 11276 1 . GLN 12 12 11276 1 . VAL 13 13 11276 1 . ARG 14 14 11276 1 . ARG 15 15 11276 1 . LEU 16 16 11276 1 . GLU 17 17 11276 1 . PHE 18 18 11276 1 . ASN 19 19 11276 1 . GLN 20 20 11276 1 . ALA 21 21 11276 1 . MET 22 22 11276 1 . ASP 23 23 11276 1 . ASP 24 24 11276 1 . PHE 25 25 11276 1 . LYS 26 26 11276 1 . THR 27 27 11276 1 . MET 28 28 11276 1 . PHE 29 29 11276 1 . PRO 30 30 11276 1 . ASN 31 31 11276 1 . MET 32 32 11276 1 . ASP 33 33 11276 1 . TYR 34 34 11276 1 . ASP 35 35 11276 1 . ILE 36 36 11276 1 . ILE 37 37 11276 1 . GLU 38 38 11276 1 . CYS 39 39 11276 1 . VAL 40 40 11276 1 . LEU 41 41 11276 1 . ARG 42 42 11276 1 . ALA 43 43 11276 1 . ASN 44 44 11276 1 . SER 45 45 11276 1 . GLY 46 46 11276 1 . ALA 47 47 11276 1 . VAL 48 48 11276 1 . ASP 49 49 11276 1 . ALA 50 50 11276 1 . THR 51 51 11276 1 . ILE 52 52 11276 1 . ASP 53 53 11276 1 . GLN 54 54 11276 1 . LEU 55 55 11276 1 . LEU 56 56 11276 1 . GLN 57 57 11276 1 . MET 58 58 11276 1 . ASN 59 59 11276 1 . LEU 60 60 11276 1 . GLU 61 61 11276 1 . SER 62 62 11276 1 . GLY 63 63 11276 1 . PRO 64 64 11276 1 . SER 65 65 11276 1 . SER 66 66 11276 1 . GLY 67 67 11276 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 11276 _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 . . . . . . . . . . . . . . . . . . . . . 11276 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 11276 _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 . . P050905-16 . . . . . . 11276 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11276 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.40mM CUE domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} {90%H2O;} 10%D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CUE domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.40 . . mM . . . . 11276 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11276 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11276 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11276 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11276 1 6 H2O . . . . . . solvent 90 . . % . . . . 11276 1 7 D2O . . . . . . solvent 10 . . % . . . . 11276 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 11276 _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 11276 1 pH 7.0 0.05 pH 11276 1 pressure 1 0.001 atm 11276 1 temperature 296.0 0.1 K 11276 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11276 _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 . . 11276 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11276 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11276 _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.' . . 11276 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11276 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11276 _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.' . . 11276 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11276 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11276 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9732 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11276 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11276 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11276 _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.' . . 11276 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11276 5 'structure solution' 11276 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 11276 _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 11276 _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 . . . 11276 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 11276 _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 . . . . . . . . . . . . . . . . 11276 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11276 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 11276 _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 . . . . . . . . . 11276 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11276 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11276 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 11276 _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 11276 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11276 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 . . 11276 1 2 $NMRPipe . . 11276 1 3 $NMRView . . 11276 1 4 $Kujira . . 11276 1 5 $CYANA . . 11276 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 3.945 0.030 . 1 . . . . 7 GLY HA2 . 11276 1 2 . 1 1 7 7 GLY HA3 H 1 3.945 0.030 . 1 . . . . 7 GLY HA3 . 11276 1 3 . 1 1 7 7 GLY C C 13 173.737 0.300 . 1 . . . . 7 GLY C . 11276 1 4 . 1 1 7 7 GLY CA C 13 45.240 0.300 . 1 . . . . 7 GLY CA . 11276 1 5 . 1 1 8 8 ARG H H 1 8.118 0.030 . 1 . . . . 8 ARG H . 11276 1 6 . 1 1 8 8 ARG HA H 1 4.622 0.030 . 1 . . . . 8 ARG HA . 11276 1 7 . 1 1 8 8 ARG HB2 H 1 1.814 0.030 . 2 . . . . 8 ARG HB2 . 11276 1 8 . 1 1 8 8 ARG HB3 H 1 1.725 0.030 . 2 . . . . 8 ARG HB3 . 11276 1 9 . 1 1 8 8 ARG HD2 H 1 3.185 0.030 . 2 . . . . 8 ARG HD2 . 11276 1 10 . 1 1 8 8 ARG HG2 H 1 1.637 0.030 . 2 . . . . 8 ARG HG2 . 11276 1 11 . 1 1 8 8 ARG C C 13 174.221 0.300 . 1 . . . . 8 ARG C . 11276 1 12 . 1 1 8 8 ARG CA C 13 54.071 0.300 . 1 . . . . 8 ARG CA . 11276 1 13 . 1 1 8 8 ARG CB C 13 30.181 0.300 . 1 . . . . 8 ARG CB . 11276 1 14 . 1 1 8 8 ARG CD C 13 43.418 0.300 . 1 . . . . 8 ARG CD . 11276 1 15 . 1 1 8 8 ARG CG C 13 26.876 0.300 . 1 . . . . 8 ARG CG . 11276 1 16 . 1 1 8 8 ARG N N 15 121.530 0.300 . 1 . . . . 8 ARG N . 11276 1 17 . 1 1 9 9 PRO HA H 1 4.404 0.030 . 1 . . . . 9 PRO HA . 11276 1 18 . 1 1 9 9 PRO HB2 H 1 1.870 0.030 . 2 . . . . 9 PRO HB2 . 11276 1 19 . 1 1 9 9 PRO HB3 H 1 2.300 0.030 . 2 . . . . 9 PRO HB3 . 11276 1 20 . 1 1 9 9 PRO HD2 H 1 3.602 0.030 . 2 . . . . 9 PRO HD2 . 11276 1 21 . 1 1 9 9 PRO HD3 H 1 3.818 0.030 . 2 . . . . 9 PRO HD3 . 11276 1 22 . 1 1 9 9 PRO HG2 H 1 1.997 0.030 . 1 . . . . 9 PRO HG2 . 11276 1 23 . 1 1 9 9 PRO HG3 H 1 1.997 0.030 . 1 . . . . 9 PRO HG3 . 11276 1 24 . 1 1 9 9 PRO C C 13 176.644 0.300 . 1 . . . . 9 PRO C . 11276 1 25 . 1 1 9 9 PRO CA C 13 63.079 0.300 . 1 . . . . 9 PRO CA . 11276 1 26 . 1 1 9 9 PRO CB C 13 32.176 0.300 . 1 . . . . 9 PRO CB . 11276 1 27 . 1 1 9 9 PRO CD C 13 50.609 0.300 . 1 . . . . 9 PRO CD . 11276 1 28 . 1 1 9 9 PRO CG C 13 27.548 0.300 . 1 . . . . 9 PRO CG . 11276 1 29 . 1 1 10 10 ALA H H 1 8.445 0.030 . 1 . . . . 10 ALA H . 11276 1 30 . 1 1 10 10 ALA HA H 1 4.269 0.030 . 1 . . . . 10 ALA HA . 11276 1 31 . 1 1 10 10 ALA HB1 H 1 1.388 0.030 . 1 . . . . 10 ALA HB . 11276 1 32 . 1 1 10 10 ALA HB2 H 1 1.388 0.030 . 1 . . . . 10 ALA HB . 11276 1 33 . 1 1 10 10 ALA HB3 H 1 1.388 0.030 . 1 . . . . 10 ALA HB . 11276 1 34 . 1 1 10 10 ALA C C 13 177.856 0.300 . 1 . . . . 10 ALA C . 11276 1 35 . 1 1 10 10 ALA CA C 13 52.523 0.300 . 1 . . . . 10 ALA CA . 11276 1 36 . 1 1 10 10 ALA CB C 13 19.348 0.300 . 1 . . . . 10 ALA CB . 11276 1 37 . 1 1 10 10 ALA N N 15 124.769 0.300 . 1 . . . . 10 ALA N . 11276 1 38 . 1 1 11 11 ARG H H 1 8.313 0.030 . 1 . . . . 11 ARG H . 11276 1 39 . 1 1 11 11 ARG HA H 1 4.298 0.030 . 1 . . . . 11 ARG HA . 11276 1 40 . 1 1 11 11 ARG HB2 H 1 1.768 0.030 . 2 . . . . 11 ARG HB2 . 11276 1 41 . 1 1 11 11 ARG HB3 H 1 1.838 0.030 . 2 . . . . 11 ARG HB3 . 11276 1 42 . 1 1 11 11 ARG HD2 H 1 3.177 0.030 . 1 . . . . 11 ARG HD2 . 11276 1 43 . 1 1 11 11 ARG HD3 H 1 3.177 0.030 . 1 . . . . 11 ARG HD3 . 11276 1 44 . 1 1 11 11 ARG HG2 H 1 1.644 0.030 . 2 . . . . 11 ARG HG2 . 11276 1 45 . 1 1 11 11 ARG HG3 H 1 1.587 0.030 . 2 . . . . 11 ARG HG3 . 11276 1 46 . 1 1 11 11 ARG C C 13 176.160 0.300 . 1 . . . . 11 ARG C . 11276 1 47 . 1 1 11 11 ARG CA C 13 56.112 0.300 . 1 . . . . 11 ARG CA . 11276 1 48 . 1 1 11 11 ARG CB C 13 30.899 0.300 . 1 . . . . 11 ARG CB . 11276 1 49 . 1 1 11 11 ARG CD C 13 43.412 0.300 . 1 . . . . 11 ARG CD . 11276 1 50 . 1 1 11 11 ARG CG C 13 27.101 0.300 . 1 . . . . 11 ARG CG . 11276 1 51 . 1 1 11 11 ARG N N 15 120.097 0.300 . 1 . . . . 11 ARG N . 11276 1 52 . 1 1 12 12 GLN H H 1 8.401 0.030 . 1 . . . . 12 GLN H . 11276 1 53 . 1 1 12 12 GLN HA H 1 4.377 0.030 . 1 . . . . 12 GLN HA . 11276 1 54 . 1 1 12 12 GLN HB2 H 1 1.945 0.030 . 2 . . . . 12 GLN HB2 . 11276 1 55 . 1 1 12 12 GLN HB3 H 1 2.044 0.030 . 2 . . . . 12 GLN HB3 . 11276 1 56 . 1 1 12 12 GLN HE21 H 1 6.885 0.030 . 2 . . . . 12 GLN HE21 . 11276 1 57 . 1 1 12 12 GLN HE22 H 1 7.549 0.030 . 2 . . . . 12 GLN HE22 . 11276 1 58 . 1 1 12 12 GLN HG2 H 1 2.340 0.030 . 2 . . . . 12 GLN HG2 . 11276 1 59 . 1 1 12 12 GLN C C 13 175.796 0.300 . 1 . . . . 12 GLN C . 11276 1 60 . 1 1 12 12 GLN CA C 13 55.725 0.300 . 1 . . . . 12 GLN CA . 11276 1 61 . 1 1 12 12 GLN CB C 13 29.559 0.300 . 1 . . . . 12 GLN CB . 11276 1 62 . 1 1 12 12 GLN CG C 13 33.821 0.300 . 1 . . . . 12 GLN CG . 11276 1 63 . 1 1 12 12 GLN N N 15 122.305 0.300 . 1 . . . . 12 GLN N . 11276 1 64 . 1 1 12 12 GLN NE2 N 15 112.431 0.300 . 1 . . . . 12 GLN NE2 . 11276 1 65 . 1 1 13 13 VAL H H 1 8.250 0.030 . 1 . . . . 13 VAL H . 11276 1 66 . 1 1 13 13 VAL HA H 1 4.076 0.030 . 1 . . . . 13 VAL HA . 11276 1 67 . 1 1 13 13 VAL HB H 1 2.033 0.030 . 1 . . . . 13 VAL HB . 11276 1 68 . 1 1 13 13 VAL HG11 H 1 0.910 0.030 . 1 . . . . 13 VAL HG1 . 11276 1 69 . 1 1 13 13 VAL HG12 H 1 0.910 0.030 . 1 . . . . 13 VAL HG1 . 11276 1 70 . 1 1 13 13 VAL HG13 H 1 0.910 0.030 . 1 . . . . 13 VAL HG1 . 11276 1 71 . 1 1 13 13 VAL C C 13 175.990 0.300 . 1 . . . . 13 VAL C . 11276 1 72 . 1 1 13 13 VAL CA C 13 62.516 0.300 . 1 . . . . 13 VAL CA . 11276 1 73 . 1 1 13 13 VAL CB C 13 32.752 0.300 . 1 . . . . 13 VAL CB . 11276 1 74 . 1 1 13 13 VAL CG1 C 13 21.068 0.300 . 2 . . . . 13 VAL CG1 . 11276 1 75 . 1 1 13 13 VAL N N 15 122.311 0.300 . 1 . . . . 13 VAL N . 11276 1 76 . 1 1 14 14 ARG H H 1 8.465 0.030 . 1 . . . . 14 ARG H . 11276 1 77 . 1 1 14 14 ARG HA H 1 4.347 0.030 . 1 . . . . 14 ARG HA . 11276 1 78 . 1 1 14 14 ARG HB2 H 1 1.763 0.030 . 2 . . . . 14 ARG HB2 . 11276 1 79 . 1 1 14 14 ARG HB3 H 1 1.837 0.030 . 2 . . . . 14 ARG HB3 . 11276 1 80 . 1 1 14 14 ARG HD2 H 1 3.179 0.030 . 2 . . . . 14 ARG HD2 . 11276 1 81 . 1 1 14 14 ARG HG2 H 1 1.640 0.030 . 2 . . . . 14 ARG HG2 . 11276 1 82 . 1 1 14 14 ARG C C 13 176.038 0.300 . 1 . . . . 14 ARG C . 11276 1 83 . 1 1 14 14 ARG CA C 13 56.042 0.300 . 1 . . . . 14 ARG CA . 11276 1 84 . 1 1 14 14 ARG CB C 13 31.271 0.300 . 1 . . . . 14 ARG CB . 11276 1 85 . 1 1 14 14 ARG CD C 13 43.412 0.300 . 1 . . . . 14 ARG CD . 11276 1 86 . 1 1 14 14 ARG CG C 13 27.242 0.300 . 1 . . . . 14 ARG CG . 11276 1 87 . 1 1 14 14 ARG N N 15 125.214 0.300 . 1 . . . . 14 ARG N . 11276 1 88 . 1 1 15 15 ARG H H 1 8.409 0.030 . 1 . . . . 15 ARG H . 11276 1 89 . 1 1 15 15 ARG HA H 1 4.308 0.030 . 1 . . . . 15 ARG HA . 11276 1 90 . 1 1 15 15 ARG HB2 H 1 1.762 0.030 . 2 . . . . 15 ARG HB2 . 11276 1 91 . 1 1 15 15 ARG HB3 H 1 1.836 0.030 . 2 . . . . 15 ARG HB3 . 11276 1 92 . 1 1 15 15 ARG HD2 H 1 3.180 0.030 . 2 . . . . 15 ARG HD2 . 11276 1 93 . 1 1 15 15 ARG HG2 H 1 1.583 0.030 . 2 . . . . 15 ARG HG2 . 11276 1 94 . 1 1 15 15 ARG HG3 H 1 1.645 0.030 . 2 . . . . 15 ARG HG3 . 11276 1 95 . 1 1 15 15 ARG C C 13 176.281 0.300 . 1 . . . . 15 ARG C . 11276 1 96 . 1 1 15 15 ARG CA C 13 56.569 0.300 . 1 . . . . 15 ARG CA . 11276 1 97 . 1 1 15 15 ARG CB C 13 30.860 0.300 . 1 . . . . 15 ARG CB . 11276 1 98 . 1 1 15 15 ARG CD C 13 43.278 0.300 . 1 . . . . 15 ARG CD . 11276 1 99 . 1 1 15 15 ARG CG C 13 27.078 0.300 . 1 . . . . 15 ARG CG . 11276 1 100 . 1 1 15 15 ARG N N 15 122.915 0.300 . 1 . . . . 15 ARG N . 11276 1 101 . 1 1 16 16 LEU H H 1 8.330 0.030 . 1 . . . . 16 LEU H . 11276 1 102 . 1 1 16 16 LEU HA H 1 4.319 0.030 . 1 . . . . 16 LEU HA . 11276 1 103 . 1 1 16 16 LEU HB2 H 1 1.538 0.030 . 2 . . . . 16 LEU HB2 . 11276 1 104 . 1 1 16 16 LEU HB3 H 1 1.626 0.030 . 2 . . . . 16 LEU HB3 . 11276 1 105 . 1 1 16 16 LEU HD11 H 1 0.893 0.030 . 1 . . . . 16 LEU HD1 . 11276 1 106 . 1 1 16 16 LEU HD12 H 1 0.893 0.030 . 1 . . . . 16 LEU HD1 . 11276 1 107 . 1 1 16 16 LEU HD13 H 1 0.893 0.030 . 1 . . . . 16 LEU HD1 . 11276 1 108 . 1 1 16 16 LEU HD21 H 1 0.851 0.030 . 1 . . . . 16 LEU HD2 . 11276 1 109 . 1 1 16 16 LEU HD22 H 1 0.851 0.030 . 1 . . . . 16 LEU HD2 . 11276 1 110 . 1 1 16 16 LEU HD23 H 1 0.851 0.030 . 1 . . . . 16 LEU HD2 . 11276 1 111 . 1 1 16 16 LEU HG H 1 1.594 0.030 . 1 . . . . 16 LEU HG . 11276 1 112 . 1 1 16 16 LEU C C 13 177.613 0.300 . 1 . . . . 16 LEU C . 11276 1 113 . 1 1 16 16 LEU CA C 13 55.725 0.300 . 1 . . . . 16 LEU CA . 11276 1 114 . 1 1 16 16 LEU CB C 13 42.639 0.300 . 1 . . . . 16 LEU CB . 11276 1 115 . 1 1 16 16 LEU CD1 C 13 25.022 0.300 . 2 . . . . 16 LEU CD1 . 11276 1 116 . 1 1 16 16 LEU CD2 C 13 23.591 0.300 . 2 . . . . 16 LEU CD2 . 11276 1 117 . 1 1 16 16 LEU CG C 13 27.101 0.300 . 1 . . . . 16 LEU CG . 11276 1 118 . 1 1 16 16 LEU N N 15 122.933 0.300 . 1 . . . . 16 LEU N . 11276 1 119 . 1 1 17 17 GLU H H 1 8.407 0.030 . 1 . . . . 17 GLU H . 11276 1 120 . 1 1 17 17 GLU HA H 1 4.253 0.030 . 1 . . . . 17 GLU HA . 11276 1 121 . 1 1 17 17 GLU HB2 H 1 1.966 0.030 . 2 . . . . 17 GLU HB2 . 11276 1 122 . 1 1 17 17 GLU HB3 H 1 2.070 0.030 . 2 . . . . 17 GLU HB3 . 11276 1 123 . 1 1 17 17 GLU HG2 H 1 2.270 0.030 . 1 . . . . 17 GLU HG2 . 11276 1 124 . 1 1 17 17 GLU HG3 H 1 2.270 0.030 . 1 . . . . 17 GLU HG3 . 11276 1 125 . 1 1 17 17 GLU C C 13 176.983 0.300 . 1 . . . . 17 GLU C . 11276 1 126 . 1 1 17 17 GLU CA C 13 57.167 0.300 . 1 . . . . 17 GLU CA . 11276 1 127 . 1 1 17 17 GLU CB C 13 30.006 0.300 . 1 . . . . 17 GLU CB . 11276 1 128 . 1 1 17 17 GLU CG C 13 36.370 0.300 . 1 . . . . 17 GLU CG . 11276 1 129 . 1 1 17 17 GLU N N 15 120.839 0.300 . 1 . . . . 17 GLU N . 11276 1 130 . 1 1 18 18 PHE H H 1 8.413 0.030 . 1 . . . . 18 PHE H . 11276 1 131 . 1 1 18 18 PHE HA H 1 4.316 0.030 . 1 . . . . 18 PHE HA . 11276 1 132 . 1 1 18 18 PHE HB2 H 1 3.114 0.030 . 1 . . . . 18 PHE HB2 . 11276 1 133 . 1 1 18 18 PHE HB3 H 1 3.114 0.030 . 1 . . . . 18 PHE HB3 . 11276 1 134 . 1 1 18 18 PHE HD1 H 1 7.176 0.030 . 1 . . . . 18 PHE HD1 . 11276 1 135 . 1 1 18 18 PHE HD2 H 1 7.176 0.030 . 1 . . . . 18 PHE HD2 . 11276 1 136 . 1 1 18 18 PHE HE1 H 1 7.235 0.030 . 1 . . . . 18 PHE HE1 . 11276 1 137 . 1 1 18 18 PHE HE2 H 1 7.235 0.030 . 1 . . . . 18 PHE HE2 . 11276 1 138 . 1 1 18 18 PHE HZ H 1 7.228 0.030 . 1 . . . . 18 PHE HZ . 11276 1 139 . 1 1 18 18 PHE C C 13 176.087 0.300 . 1 . . . . 18 PHE C . 11276 1 140 . 1 1 18 18 PHE CA C 13 60.158 0.300 . 1 . . . . 18 PHE CA . 11276 1 141 . 1 1 18 18 PHE CB C 13 39.532 0.300 . 1 . . . . 18 PHE CB . 11276 1 142 . 1 1 18 18 PHE CD1 C 13 131.825 0.300 . 1 . . . . 18 PHE CD1 . 11276 1 143 . 1 1 18 18 PHE CD2 C 13 131.825 0.300 . 1 . . . . 18 PHE CD2 . 11276 1 144 . 1 1 18 18 PHE CE1 C 13 131.238 0.300 . 1 . . . . 18 PHE CE1 . 11276 1 145 . 1 1 18 18 PHE CE2 C 13 131.238 0.300 . 1 . . . . 18 PHE CE2 . 11276 1 146 . 1 1 18 18 PHE CZ C 13 129.665 0.300 . 1 . . . . 18 PHE CZ . 11276 1 147 . 1 1 18 18 PHE N N 15 122.199 0.300 . 1 . . . . 18 PHE N . 11276 1 148 . 1 1 19 19 ASN H H 1 8.487 0.030 . 1 . . . . 19 ASN H . 11276 1 149 . 1 1 19 19 ASN HA H 1 4.412 0.030 . 1 . . . . 19 ASN HA . 11276 1 150 . 1 1 19 19 ASN HB2 H 1 2.834 0.030 . 1 . . . . 19 ASN HB2 . 11276 1 151 . 1 1 19 19 ASN HB3 H 1 2.834 0.030 . 1 . . . . 19 ASN HB3 . 11276 1 152 . 1 1 19 19 ASN HD21 H 1 6.955 0.030 . 2 . . . . 19 ASN HD21 . 11276 1 153 . 1 1 19 19 ASN HD22 H 1 7.706 0.030 . 2 . . . . 19 ASN HD22 . 11276 1 154 . 1 1 19 19 ASN C C 13 176.620 0.300 . 1 . . . . 19 ASN C . 11276 1 155 . 1 1 19 19 ASN CA C 13 55.267 0.300 . 1 . . . . 19 ASN CA . 11276 1 156 . 1 1 19 19 ASN CB C 13 38.261 0.300 . 1 . . . . 19 ASN CB . 11276 1 157 . 1 1 19 19 ASN N N 15 117.969 0.300 . 1 . . . . 19 ASN N . 11276 1 158 . 1 1 19 19 ASN ND2 N 15 112.487 0.300 . 1 . . . . 19 ASN ND2 . 11276 1 159 . 1 1 20 20 GLN H H 1 8.080 0.030 . 1 . . . . 20 GLN H . 11276 1 160 . 1 1 20 20 GLN HA H 1 4.097 0.030 . 1 . . . . 20 GLN HA . 11276 1 161 . 1 1 20 20 GLN HB2 H 1 2.071 0.030 . 2 . . . . 20 GLN HB2 . 11276 1 162 . 1 1 20 20 GLN HB3 H 1 2.126 0.030 . 2 . . . . 20 GLN HB3 . 11276 1 163 . 1 1 20 20 GLN HE21 H 1 6.874 0.030 . 2 . . . . 20 GLN HE21 . 11276 1 164 . 1 1 20 20 GLN HE22 H 1 7.660 0.030 . 2 . . . . 20 GLN HE22 . 11276 1 165 . 1 1 20 20 GLN HG2 H 1 2.392 0.030 . 2 . . . . 20 GLN HG2 . 11276 1 166 . 1 1 20 20 GLN C C 13 177.032 0.300 . 1 . . . . 20 GLN C . 11276 1 167 . 1 1 20 20 GLN CA C 13 57.906 0.300 . 1 . . . . 20 GLN CA . 11276 1 168 . 1 1 20 20 GLN CB C 13 28.888 0.300 . 1 . . . . 20 GLN CB . 11276 1 169 . 1 1 20 20 GLN CG C 13 34.028 0.300 . 1 . . . . 20 GLN CG . 11276 1 170 . 1 1 20 20 GLN N N 15 120.416 0.300 . 1 . . . . 20 GLN N . 11276 1 171 . 1 1 20 20 GLN NE2 N 15 113.604 0.300 . 1 . . . . 20 GLN NE2 . 11276 1 172 . 1 1 21 21 ALA H H 1 8.100 0.030 . 1 . . . . 21 ALA H . 11276 1 173 . 1 1 21 21 ALA HA H 1 4.037 0.030 . 1 . . . . 21 ALA HA . 11276 1 174 . 1 1 21 21 ALA HB1 H 1 1.323 0.030 . 1 . . . . 21 ALA HB . 11276 1 175 . 1 1 21 21 ALA HB2 H 1 1.323 0.030 . 1 . . . . 21 ALA HB . 11276 1 176 . 1 1 21 21 ALA HB3 H 1 1.323 0.030 . 1 . . . . 21 ALA HB . 11276 1 177 . 1 1 21 21 ALA C C 13 179.140 0.300 . 1 . . . . 21 ALA C . 11276 1 178 . 1 1 21 21 ALA CA C 13 54.458 0.300 . 1 . . . . 21 ALA CA . 11276 1 179 . 1 1 21 21 ALA CB C 13 18.133 0.300 . 1 . . . . 21 ALA CB . 11276 1 180 . 1 1 21 21 ALA N N 15 122.298 0.300 . 1 . . . . 21 ALA N . 11276 1 181 . 1 1 22 22 MET H H 1 8.094 0.030 . 1 . . . . 22 MET H . 11276 1 182 . 1 1 22 22 MET HA H 1 4.389 0.030 . 1 . . . . 22 MET HA . 11276 1 183 . 1 1 22 22 MET HB2 H 1 1.975 0.030 . 2 . . . . 22 MET HB2 . 11276 1 184 . 1 1 22 22 MET HB3 H 1 2.099 0.030 . 2 . . . . 22 MET HB3 . 11276 1 185 . 1 1 22 22 MET HE1 H 1 1.742 0.030 . 1 . . . . 22 MET HE . 11276 1 186 . 1 1 22 22 MET HE2 H 1 1.742 0.030 . 1 . . . . 22 MET HE . 11276 1 187 . 1 1 22 22 MET HE3 H 1 1.742 0.030 . 1 . . . . 22 MET HE . 11276 1 188 . 1 1 22 22 MET HG2 H 1 2.188 0.030 . 2 . . . . 22 MET HG2 . 11276 1 189 . 1 1 22 22 MET HG3 H 1 2.497 0.030 . 2 . . . . 22 MET HG3 . 11276 1 190 . 1 1 22 22 MET C C 13 178.364 0.300 . 1 . . . . 22 MET C . 11276 1 191 . 1 1 22 22 MET CA C 13 56.851 0.300 . 1 . . . . 22 MET CA . 11276 1 192 . 1 1 22 22 MET CB C 13 30.860 0.300 . 1 . . . . 22 MET CB . 11276 1 193 . 1 1 22 22 MET CE C 13 16.062 0.300 . 1 . . . . 22 MET CE . 11276 1 194 . 1 1 22 22 MET CG C 13 32.017 0.300 . 1 . . . . 22 MET CG . 11276 1 195 . 1 1 22 22 MET N N 15 116.031 0.300 . 1 . . . . 22 MET N . 11276 1 196 . 1 1 23 23 ASP H H 1 7.917 0.030 . 1 . . . . 23 ASP H . 11276 1 197 . 1 1 23 23 ASP HA H 1 4.440 0.030 . 1 . . . . 23 ASP HA . 11276 1 198 . 1 1 23 23 ASP HB2 H 1 2.721 0.030 . 2 . . . . 23 ASP HB2 . 11276 1 199 . 1 1 23 23 ASP HB3 H 1 2.679 0.030 . 2 . . . . 23 ASP HB3 . 11276 1 200 . 1 1 23 23 ASP C C 13 178.679 0.300 . 1 . . . . 23 ASP C . 11276 1 201 . 1 1 23 23 ASP CA C 13 57.414 0.300 . 1 . . . . 23 ASP CA . 11276 1 202 . 1 1 23 23 ASP CB C 13 40.564 0.300 . 1 . . . . 23 ASP CB . 11276 1 203 . 1 1 23 23 ASP N N 15 120.035 0.300 . 1 . . . . 23 ASP N . 11276 1 204 . 1 1 24 24 ASP H H 1 8.126 0.030 . 1 . . . . 24 ASP H . 11276 1 205 . 1 1 24 24 ASP HA H 1 4.413 0.030 . 1 . . . . 24 ASP HA . 11276 1 206 . 1 1 24 24 ASP HB2 H 1 2.436 0.030 . 2 . . . . 24 ASP HB2 . 11276 1 207 . 1 1 24 24 ASP HB3 H 1 2.630 0.030 . 2 . . . . 24 ASP HB3 . 11276 1 208 . 1 1 24 24 ASP C C 13 179.382 0.300 . 1 . . . . 24 ASP C . 11276 1 209 . 1 1 24 24 ASP CA C 13 56.921 0.300 . 1 . . . . 24 ASP CA . 11276 1 210 . 1 1 24 24 ASP CB C 13 40.060 0.300 . 1 . . . . 24 ASP CB . 11276 1 211 . 1 1 24 24 ASP N N 15 120.771 0.300 . 1 . . . . 24 ASP N . 11276 1 212 . 1 1 25 25 PHE H H 1 8.551 0.030 . 1 . . . . 25 PHE H . 11276 1 213 . 1 1 25 25 PHE HA H 1 4.486 0.030 . 1 . . . . 25 PHE HA . 11276 1 214 . 1 1 25 25 PHE HB2 H 1 3.223 0.030 . 1 . . . . 25 PHE HB2 . 11276 1 215 . 1 1 25 25 PHE HB3 H 1 3.223 0.030 . 1 . . . . 25 PHE HB3 . 11276 1 216 . 1 1 25 25 PHE HD1 H 1 7.327 0.030 . 1 . . . . 25 PHE HD1 . 11276 1 217 . 1 1 25 25 PHE HD2 H 1 7.327 0.030 . 1 . . . . 25 PHE HD2 . 11276 1 218 . 1 1 25 25 PHE HE1 H 1 7.244 0.030 . 1 . . . . 25 PHE HE1 . 11276 1 219 . 1 1 25 25 PHE HE2 H 1 7.244 0.030 . 1 . . . . 25 PHE HE2 . 11276 1 220 . 1 1 25 25 PHE HZ H 1 7.277 0.030 . 1 . . . . 25 PHE HZ . 11276 1 221 . 1 1 25 25 PHE C C 13 177.710 0.300 . 1 . . . . 25 PHE C . 11276 1 222 . 1 1 25 25 PHE CA C 13 61.284 0.300 . 1 . . . . 25 PHE CA . 11276 1 223 . 1 1 25 25 PHE CB C 13 39.345 0.300 . 1 . . . . 25 PHE CB . 11276 1 224 . 1 1 25 25 PHE CD1 C 13 131.256 0.300 . 1 . . . . 25 PHE CD1 . 11276 1 225 . 1 1 25 25 PHE CD2 C 13 131.256 0.300 . 1 . . . . 25 PHE CD2 . 11276 1 226 . 1 1 25 25 PHE CE1 C 13 130.998 0.300 . 1 . . . . 25 PHE CE1 . 11276 1 227 . 1 1 25 25 PHE CE2 C 13 130.998 0.300 . 1 . . . . 25 PHE CE2 . 11276 1 228 . 1 1 25 25 PHE CZ C 13 129.088 0.300 . 1 . . . . 25 PHE CZ . 11276 1 229 . 1 1 25 25 PHE N N 15 120.195 0.300 . 1 . . . . 25 PHE N . 11276 1 230 . 1 1 26 26 LYS H H 1 8.357 0.030 . 1 . . . . 26 LYS H . 11276 1 231 . 1 1 26 26 LYS HA H 1 4.024 0.030 . 1 . . . . 26 LYS HA . 11276 1 232 . 1 1 26 26 LYS HB2 H 1 1.910 0.030 . 2 . . . . 26 LYS HB2 . 11276 1 233 . 1 1 26 26 LYS HB3 H 1 1.963 0.030 . 2 . . . . 26 LYS HB3 . 11276 1 234 . 1 1 26 26 LYS HD2 H 1 1.480 0.030 . 2 . . . . 26 LYS HD2 . 11276 1 235 . 1 1 26 26 LYS HD3 H 1 1.676 0.030 . 2 . . . . 26 LYS HD3 . 11276 1 236 . 1 1 26 26 LYS HE2 H 1 2.778 0.030 . 2 . . . . 26 LYS HE2 . 11276 1 237 . 1 1 26 26 LYS HE3 H 1 2.826 0.030 . 2 . . . . 26 LYS HE3 . 11276 1 238 . 1 1 26 26 LYS HG2 H 1 1.339 0.030 . 2 . . . . 26 LYS HG2 . 11276 1 239 . 1 1 26 26 LYS HG3 H 1 1.585 0.030 . 2 . . . . 26 LYS HG3 . 11276 1 240 . 1 1 26 26 LYS C C 13 178.292 0.300 . 1 . . . . 26 LYS C . 11276 1 241 . 1 1 26 26 LYS CA C 13 58.716 0.300 . 1 . . . . 26 LYS CA . 11276 1 242 . 1 1 26 26 LYS CB C 13 32.176 0.300 . 1 . . . . 26 LYS CB . 11276 1 243 . 1 1 26 26 LYS CD C 13 29.293 0.300 . 1 . . . . 26 LYS CD . 11276 1 244 . 1 1 26 26 LYS CE C 13 42.209 0.300 . 1 . . . . 26 LYS CE . 11276 1 245 . 1 1 26 26 LYS CG C 13 25.090 0.300 . 1 . . . . 26 LYS CG . 11276 1 246 . 1 1 26 26 LYS N N 15 119.610 0.300 . 1 . . . . 26 LYS N . 11276 1 247 . 1 1 27 27 THR H H 1 7.577 0.030 . 1 . . . . 27 THR H . 11276 1 248 . 1 1 27 27 THR HA H 1 3.989 0.030 . 1 . . . . 27 THR HA . 11276 1 249 . 1 1 27 27 THR HB H 1 4.242 0.030 . 1 . . . . 27 THR HB . 11276 1 250 . 1 1 27 27 THR HG21 H 1 1.207 0.030 . 1 . . . . 27 THR HG2 . 11276 1 251 . 1 1 27 27 THR HG22 H 1 1.207 0.030 . 1 . . . . 27 THR HG2 . 11276 1 252 . 1 1 27 27 THR HG23 H 1 1.207 0.030 . 1 . . . . 27 THR HG2 . 11276 1 253 . 1 1 27 27 THR C C 13 175.675 0.300 . 1 . . . . 27 THR C . 11276 1 254 . 1 1 27 27 THR CA C 13 65.084 0.300 . 1 . . . . 27 THR CA . 11276 1 255 . 1 1 27 27 THR CB C 13 68.852 0.300 . 1 . . . . 27 THR CB . 11276 1 256 . 1 1 27 27 THR CG2 C 13 21.936 0.300 . 1 . . . . 27 THR CG2 . 11276 1 257 . 1 1 27 27 THR N N 15 112.562 0.300 . 1 . . . . 27 THR N . 11276 1 258 . 1 1 28 28 MET H H 1 7.598 0.030 . 1 . . . . 28 MET H . 11276 1 259 . 1 1 28 28 MET HA H 1 3.881 0.030 . 1 . . . . 28 MET HA . 11276 1 260 . 1 1 28 28 MET HB2 H 1 1.501 0.030 . 2 . . . . 28 MET HB2 . 11276 1 261 . 1 1 28 28 MET HB3 H 1 1.911 0.030 . 2 . . . . 28 MET HB3 . 11276 1 262 . 1 1 28 28 MET HE1 H 1 1.882 0.030 . 1 . . . . 28 MET HE . 11276 1 263 . 1 1 28 28 MET HE2 H 1 1.882 0.030 . 1 . . . . 28 MET HE . 11276 1 264 . 1 1 28 28 MET HE3 H 1 1.882 0.030 . 1 . . . . 28 MET HE . 11276 1 265 . 1 1 28 28 MET HG2 H 1 2.308 0.030 . 2 . . . . 28 MET HG2 . 11276 1 266 . 1 1 28 28 MET HG3 H 1 1.827 0.030 . 2 . . . . 28 MET HG3 . 11276 1 267 . 1 1 28 28 MET C C 13 175.627 0.300 . 1 . . . . 28 MET C . 11276 1 268 . 1 1 28 28 MET CA C 13 58.258 0.300 . 1 . . . . 28 MET CA . 11276 1 269 . 1 1 28 28 MET CB C 13 34.716 0.300 . 1 . . . . 28 MET CB . 11276 1 270 . 1 1 28 28 MET CE C 13 16.806 0.300 . 1 . . . . 28 MET CE . 11276 1 271 . 1 1 28 28 MET CG C 13 31.929 0.300 . 1 . . . . 28 MET CG . 11276 1 272 . 1 1 28 28 MET N N 15 120.623 0.300 . 1 . . . . 28 MET N . 11276 1 273 . 1 1 29 29 PHE H H 1 8.038 0.030 . 1 . . . . 29 PHE H . 11276 1 274 . 1 1 29 29 PHE HA H 1 5.054 0.030 . 1 . . . . 29 PHE HA . 11276 1 275 . 1 1 29 29 PHE HB2 H 1 3.026 0.030 . 2 . . . . 29 PHE HB2 . 11276 1 276 . 1 1 29 29 PHE HB3 H 1 2.977 0.030 . 2 . . . . 29 PHE HB3 . 11276 1 277 . 1 1 29 29 PHE HD1 H 1 7.302 0.030 . 1 . . . . 29 PHE HD1 . 11276 1 278 . 1 1 29 29 PHE HD2 H 1 7.302 0.030 . 1 . . . . 29 PHE HD2 . 11276 1 279 . 1 1 29 29 PHE HE1 H 1 7.185 0.030 . 1 . . . . 29 PHE HE1 . 11276 1 280 . 1 1 29 29 PHE HE2 H 1 7.185 0.030 . 1 . . . . 29 PHE HE2 . 11276 1 281 . 1 1 29 29 PHE HZ H 1 7.179 0.030 . 1 . . . . 29 PHE HZ . 11276 1 282 . 1 1 29 29 PHE C C 13 173.446 0.300 . 1 . . . . 29 PHE C . 11276 1 283 . 1 1 29 29 PHE CA C 13 55.171 0.300 . 1 . . . . 29 PHE CA . 11276 1 284 . 1 1 29 29 PHE CB C 13 39.390 0.300 . 1 . . . . 29 PHE CB . 11276 1 285 . 1 1 29 29 PHE CD1 C 13 132.858 0.300 . 1 . . . . 29 PHE CD1 . 11276 1 286 . 1 1 29 29 PHE CD2 C 13 132.858 0.300 . 1 . . . . 29 PHE CD2 . 11276 1 287 . 1 1 29 29 PHE CE1 C 13 130.742 0.300 . 1 . . . . 29 PHE CE1 . 11276 1 288 . 1 1 29 29 PHE CE2 C 13 130.742 0.300 . 1 . . . . 29 PHE CE2 . 11276 1 289 . 1 1 29 29 PHE CZ C 13 128.806 0.300 . 1 . . . . 29 PHE CZ . 11276 1 290 . 1 1 29 29 PHE N N 15 116.143 0.300 . 1 . . . . 29 PHE N . 11276 1 291 . 1 1 30 30 PRO HA H 1 4.635 0.030 . 1 . . . . 30 PRO HA . 11276 1 292 . 1 1 30 30 PRO HB2 H 1 1.956 0.030 . 2 . . . . 30 PRO HB2 . 11276 1 293 . 1 1 30 30 PRO HB3 H 1 2.368 0.030 . 2 . . . . 30 PRO HB3 . 11276 1 294 . 1 1 30 30 PRO HD2 H 1 3.350 0.030 . 2 . . . . 30 PRO HD2 . 11276 1 295 . 1 1 30 30 PRO HD3 H 1 3.574 0.030 . 2 . . . . 30 PRO HD3 . 11276 1 296 . 1 1 30 30 PRO HG2 H 1 1.898 0.030 . 2 . . . . 30 PRO HG2 . 11276 1 297 . 1 1 30 30 PRO HG3 H 1 2.010 0.030 . 2 . . . . 30 PRO HG3 . 11276 1 298 . 1 1 30 30 PRO C C 13 177.952 0.300 . 1 . . . . 30 PRO C . 11276 1 299 . 1 1 30 30 PRO CA C 13 64.697 0.300 . 1 . . . . 30 PRO CA . 11276 1 300 . 1 1 30 30 PRO CB C 13 32.176 0.300 . 1 . . . . 30 PRO CB . 11276 1 301 . 1 1 30 30 PRO CD C 13 50.103 0.300 . 1 . . . . 30 PRO CD . 11276 1 302 . 1 1 30 30 PRO CG C 13 27.186 0.300 . 1 . . . . 30 PRO CG . 11276 1 303 . 1 1 31 31 ASN H H 1 8.742 0.030 . 1 . . . . 31 ASN H . 11276 1 304 . 1 1 31 31 ASN HA H 1 4.832 0.030 . 1 . . . . 31 ASN HA . 11276 1 305 . 1 1 31 31 ASN HB2 H 1 2.800 0.030 . 2 . . . . 31 ASN HB2 . 11276 1 306 . 1 1 31 31 ASN HB3 H 1 2.961 0.030 . 2 . . . . 31 ASN HB3 . 11276 1 307 . 1 1 31 31 ASN HD21 H 1 7.072 0.030 . 2 . . . . 31 ASN HD21 . 11276 1 308 . 1 1 31 31 ASN HD22 H 1 7.680 0.030 . 2 . . . . 31 ASN HD22 . 11276 1 309 . 1 1 31 31 ASN C C 13 175.045 0.300 . 1 . . . . 31 ASN C . 11276 1 310 . 1 1 31 31 ASN CA C 13 53.051 0.300 . 1 . . . . 31 ASN CA . 11276 1 311 . 1 1 31 31 ASN CB C 13 38.512 0.300 . 1 . . . . 31 ASN CB . 11276 1 312 . 1 1 31 31 ASN N N 15 114.931 0.300 . 1 . . . . 31 ASN N . 11276 1 313 . 1 1 31 31 ASN ND2 N 15 114.151 0.300 . 1 . . . . 31 ASN ND2 . 11276 1 314 . 1 1 32 32 MET H H 1 7.588 0.030 . 1 . . . . 32 MET H . 11276 1 315 . 1 1 32 32 MET HA H 1 4.516 0.030 . 1 . . . . 32 MET HA . 11276 1 316 . 1 1 32 32 MET HB2 H 1 1.919 0.030 . 2 . . . . 32 MET HB2 . 11276 1 317 . 1 1 32 32 MET HB3 H 1 2.092 0.030 . 2 . . . . 32 MET HB3 . 11276 1 318 . 1 1 32 32 MET HE1 H 1 1.887 0.030 . 1 . . . . 32 MET HE . 11276 1 319 . 1 1 32 32 MET HE2 H 1 1.887 0.030 . 1 . . . . 32 MET HE . 11276 1 320 . 1 1 32 32 MET HE3 H 1 1.887 0.030 . 1 . . . . 32 MET HE . 11276 1 321 . 1 1 32 32 MET HG2 H 1 2.494 0.030 . 1 . . . . 32 MET HG2 . 11276 1 322 . 1 1 32 32 MET HG3 H 1 2.494 0.030 . 1 . . . . 32 MET HG3 . 11276 1 323 . 1 1 32 32 MET C C 13 174.948 0.300 . 1 . . . . 32 MET C . 11276 1 324 . 1 1 32 32 MET CA C 13 55.162 0.300 . 1 . . . . 32 MET CA . 11276 1 325 . 1 1 32 32 MET CB C 13 34.409 0.300 . 1 . . . . 32 MET CB . 11276 1 326 . 1 1 32 32 MET CE C 13 17.581 0.300 . 1 . . . . 32 MET CE . 11276 1 327 . 1 1 32 32 MET CG C 13 32.921 0.300 . 1 . . . . 32 MET CG . 11276 1 328 . 1 1 32 32 MET N N 15 120.221 0.300 . 1 . . . . 32 MET N . 11276 1 329 . 1 1 33 33 ASP H H 1 8.384 0.030 . 1 . . . . 33 ASP H . 11276 1 330 . 1 1 33 33 ASP HA H 1 4.497 0.030 . 1 . . . . 33 ASP HA . 11276 1 331 . 1 1 33 33 ASP HB2 H 1 2.648 0.030 . 2 . . . . 33 ASP HB2 . 11276 1 332 . 1 1 33 33 ASP HB3 H 1 2.819 0.030 . 2 . . . . 33 ASP HB3 . 11276 1 333 . 1 1 33 33 ASP C C 13 177.032 0.300 . 1 . . . . 33 ASP C . 11276 1 334 . 1 1 33 33 ASP CA C 13 54.493 0.300 . 1 . . . . 33 ASP CA . 11276 1 335 . 1 1 33 33 ASP CB C 13 41.846 0.300 . 1 . . . . 33 ASP CB . 11276 1 336 . 1 1 33 33 ASP N N 15 123.450 0.300 . 1 . . . . 33 ASP N . 11276 1 337 . 1 1 34 34 TYR H H 1 8.670 0.030 . 1 . . . . 34 TYR H . 11276 1 338 . 1 1 34 34 TYR HA H 1 4.048 0.030 . 1 . . . . 34 TYR HA . 11276 1 339 . 1 1 34 34 TYR HB2 H 1 3.091 0.030 . 1 . . . . 34 TYR HB2 . 11276 1 340 . 1 1 34 34 TYR HB3 H 1 3.091 0.030 . 1 . . . . 34 TYR HB3 . 11276 1 341 . 1 1 34 34 TYR HD1 H 1 7.133 0.030 . 1 . . . . 34 TYR HD1 . 11276 1 342 . 1 1 34 34 TYR HD2 H 1 7.133 0.030 . 1 . . . . 34 TYR HD2 . 11276 1 343 . 1 1 34 34 TYR HE1 H 1 6.871 0.030 . 1 . . . . 34 TYR HE1 . 11276 1 344 . 1 1 34 34 TYR HE2 H 1 6.871 0.030 . 1 . . . . 34 TYR HE2 . 11276 1 345 . 1 1 34 34 TYR C C 13 176.959 0.300 . 1 . . . . 34 TYR C . 11276 1 346 . 1 1 34 34 TYR CA C 13 61.089 0.300 . 1 . . . . 34 TYR CA . 11276 1 347 . 1 1 34 34 TYR CB C 13 38.426 0.300 . 1 . . . . 34 TYR CB . 11276 1 348 . 1 1 34 34 TYR CD1 C 13 133.080 0.300 . 1 . . . . 34 TYR CD1 . 11276 1 349 . 1 1 34 34 TYR CD2 C 13 133.080 0.300 . 1 . . . . 34 TYR CD2 . 11276 1 350 . 1 1 34 34 TYR CE1 C 13 118.473 0.300 . 1 . . . . 34 TYR CE1 . 11276 1 351 . 1 1 34 34 TYR CE2 C 13 118.473 0.300 . 1 . . . . 34 TYR CE2 . 11276 1 352 . 1 1 34 34 TYR N N 15 124.957 0.300 . 1 . . . . 34 TYR N . 11276 1 353 . 1 1 35 35 ASP H H 1 8.641 0.030 . 1 . . . . 35 ASP H . 11276 1 354 . 1 1 35 35 ASP HA H 1 4.418 0.030 . 1 . . . . 35 ASP HA . 11276 1 355 . 1 1 35 35 ASP HB2 H 1 2.651 0.030 . 2 . . . . 35 ASP HB2 . 11276 1 356 . 1 1 35 35 ASP HB3 H 1 2.727 0.030 . 2 . . . . 35 ASP HB3 . 11276 1 357 . 1 1 35 35 ASP C C 13 179.188 0.300 . 1 . . . . 35 ASP C . 11276 1 358 . 1 1 35 35 ASP CA C 13 57.238 0.300 . 1 . . . . 35 ASP CA . 11276 1 359 . 1 1 35 35 ASP CB C 13 40.153 0.300 . 1 . . . . 35 ASP CB . 11276 1 360 . 1 1 35 35 ASP N N 15 117.154 0.300 . 1 . . . . 35 ASP N . 11276 1 361 . 1 1 36 36 ILE H H 1 7.468 0.030 . 1 . . . . 36 ILE H . 11276 1 362 . 1 1 36 36 ILE HA H 1 3.832 0.030 . 1 . . . . 36 ILE HA . 11276 1 363 . 1 1 36 36 ILE HB H 1 2.010 0.030 . 1 . . . . 36 ILE HB . 11276 1 364 . 1 1 36 36 ILE HD11 H 1 0.887 0.030 . 1 . . . . 36 ILE HD1 . 11276 1 365 . 1 1 36 36 ILE HD12 H 1 0.887 0.030 . 1 . . . . 36 ILE HD1 . 11276 1 366 . 1 1 36 36 ILE HD13 H 1 0.887 0.030 . 1 . . . . 36 ILE HD1 . 11276 1 367 . 1 1 36 36 ILE HG12 H 1 1.582 0.030 . 2 . . . . 36 ILE HG12 . 11276 1 368 . 1 1 36 36 ILE HG13 H 1 1.243 0.030 . 2 . . . . 36 ILE HG13 . 11276 1 369 . 1 1 36 36 ILE HG21 H 1 0.822 0.030 . 1 . . . . 36 ILE HG2 . 11276 1 370 . 1 1 36 36 ILE HG22 H 1 0.822 0.030 . 1 . . . . 36 ILE HG2 . 11276 1 371 . 1 1 36 36 ILE HG23 H 1 0.822 0.030 . 1 . . . . 36 ILE HG2 . 11276 1 372 . 1 1 36 36 ILE C C 13 177.468 0.300 . 1 . . . . 36 ILE C . 11276 1 373 . 1 1 36 36 ILE CA C 13 63.468 0.300 . 1 . . . . 36 ILE CA . 11276 1 374 . 1 1 36 36 ILE CB C 13 37.357 0.300 . 1 . . . . 36 ILE CB . 11276 1 375 . 1 1 36 36 ILE CD1 C 13 12.279 0.300 . 1 . . . . 36 ILE CD1 . 11276 1 376 . 1 1 36 36 ILE CG1 C 13 28.393 0.300 . 1 . . . . 36 ILE CG1 . 11276 1 377 . 1 1 36 36 ILE CG2 C 13 17.374 0.300 . 1 . . . . 36 ILE CG2 . 11276 1 378 . 1 1 36 36 ILE N N 15 121.168 0.300 . 1 . . . . 36 ILE N . 11276 1 379 . 1 1 37 37 ILE H H 1 7.312 0.030 . 1 . . . . 37 ILE H . 11276 1 380 . 1 1 37 37 ILE HA H 1 3.247 0.030 . 1 . . . . 37 ILE HA . 11276 1 381 . 1 1 37 37 ILE HB H 1 1.763 0.030 . 1 . . . . 37 ILE HB . 11276 1 382 . 1 1 37 37 ILE HD11 H 1 0.857 0.030 . 1 . . . . 37 ILE HD1 . 11276 1 383 . 1 1 37 37 ILE HD12 H 1 0.857 0.030 . 1 . . . . 37 ILE HD1 . 11276 1 384 . 1 1 37 37 ILE HD13 H 1 0.857 0.030 . 1 . . . . 37 ILE HD1 . 11276 1 385 . 1 1 37 37 ILE HG12 H 1 0.773 0.030 . 2 . . . . 37 ILE HG12 . 11276 1 386 . 1 1 37 37 ILE HG13 H 1 1.636 0.030 . 2 . . . . 37 ILE HG13 . 11276 1 387 . 1 1 37 37 ILE HG21 H 1 0.616 0.030 . 1 . . . . 37 ILE HG2 . 11276 1 388 . 1 1 37 37 ILE HG22 H 1 0.616 0.030 . 1 . . . . 37 ILE HG2 . 11276 1 389 . 1 1 37 37 ILE HG23 H 1 0.616 0.030 . 1 . . . . 37 ILE HG2 . 11276 1 390 . 1 1 37 37 ILE C C 13 177.153 0.300 . 1 . . . . 37 ILE C . 11276 1 391 . 1 1 37 37 ILE CA C 13 65.898 0.300 . 1 . . . . 37 ILE CA . 11276 1 392 . 1 1 37 37 ILE CB C 13 37.765 0.300 . 1 . . . . 37 ILE CB . 11276 1 393 . 1 1 37 37 ILE CD1 C 13 13.836 0.300 . 1 . . . . 37 ILE CD1 . 11276 1 394 . 1 1 37 37 ILE CG1 C 13 28.640 0.300 . 1 . . . . 37 ILE CG1 . 11276 1 395 . 1 1 37 37 ILE CG2 C 13 17.845 0.300 . 1 . . . . 37 ILE CG2 . 11276 1 396 . 1 1 37 37 ILE N N 15 119.467 0.300 . 1 . . . . 37 ILE N . 11276 1 397 . 1 1 38 38 GLU H H 1 8.319 0.030 . 1 . . . . 38 GLU H . 11276 1 398 . 1 1 38 38 GLU HA H 1 3.873 0.030 . 1 . . . . 38 GLU HA . 11276 1 399 . 1 1 38 38 GLU HB2 H 1 2.032 0.030 . 2 . . . . 38 GLU HB2 . 11276 1 400 . 1 1 38 38 GLU HB3 H 1 2.078 0.030 . 2 . . . . 38 GLU HB3 . 11276 1 401 . 1 1 38 38 GLU HG2 H 1 2.272 0.030 . 2 . . . . 38 GLU HG2 . 11276 1 402 . 1 1 38 38 GLU HG3 H 1 2.420 0.030 . 2 . . . . 38 GLU HG3 . 11276 1 403 . 1 1 38 38 GLU C C 13 178.243 0.300 . 1 . . . . 38 GLU C . 11276 1 404 . 1 1 38 38 GLU CA C 13 60.053 0.300 . 1 . . . . 38 GLU CA . 11276 1 405 . 1 1 38 38 GLU CB C 13 29.462 0.300 . 1 . . . . 38 GLU CB . 11276 1 406 . 1 1 38 38 GLU CG C 13 36.699 0.300 . 1 . . . . 38 GLU CG . 11276 1 407 . 1 1 38 38 GLU N N 15 118.183 0.300 . 1 . . . . 38 GLU N . 11276 1 408 . 1 1 39 39 CYS H H 1 7.772 0.030 . 1 . . . . 39 CYS H . 11276 1 409 . 1 1 39 39 CYS HA H 1 4.073 0.030 . 1 . . . . 39 CYS HA . 11276 1 410 . 1 1 39 39 CYS HB2 H 1 2.995 0.030 . 2 . . . . 39 CYS HB2 . 11276 1 411 . 1 1 39 39 CYS HB3 H 1 3.126 0.030 . 2 . . . . 39 CYS HB3 . 11276 1 412 . 1 1 39 39 CYS C C 13 177.807 0.300 . 1 . . . . 39 CYS C . 11276 1 413 . 1 1 39 39 CYS CA C 13 62.973 0.300 . 1 . . . . 39 CYS CA . 11276 1 414 . 1 1 39 39 CYS CB C 13 26.469 0.300 . 1 . . . . 39 CYS CB . 11276 1 415 . 1 1 39 39 CYS N N 15 117.134 0.300 . 1 . . . . 39 CYS N . 11276 1 416 . 1 1 40 40 VAL H H 1 8.115 0.030 . 1 . . . . 40 VAL H . 11276 1 417 . 1 1 40 40 VAL HA H 1 3.612 0.030 . 1 . . . . 40 VAL HA . 11276 1 418 . 1 1 40 40 VAL HB H 1 1.924 0.030 . 1 . . . . 40 VAL HB . 11276 1 419 . 1 1 40 40 VAL HG11 H 1 0.834 0.030 . 1 . . . . 40 VAL HG1 . 11276 1 420 . 1 1 40 40 VAL HG12 H 1 0.834 0.030 . 1 . . . . 40 VAL HG1 . 11276 1 421 . 1 1 40 40 VAL HG13 H 1 0.834 0.030 . 1 . . . . 40 VAL HG1 . 11276 1 422 . 1 1 40 40 VAL HG21 H 1 0.915 0.030 . 1 . . . . 40 VAL HG2 . 11276 1 423 . 1 1 40 40 VAL HG22 H 1 0.915 0.030 . 1 . . . . 40 VAL HG2 . 11276 1 424 . 1 1 40 40 VAL HG23 H 1 0.915 0.030 . 1 . . . . 40 VAL HG2 . 11276 1 425 . 1 1 40 40 VAL C C 13 178.074 0.300 . 1 . . . . 40 VAL C . 11276 1 426 . 1 1 40 40 VAL CA C 13 66.316 0.300 . 1 . . . . 40 VAL CA . 11276 1 427 . 1 1 40 40 VAL CB C 13 31.600 0.300 . 1 . . . . 40 VAL CB . 11276 1 428 . 1 1 40 40 VAL CG1 C 13 22.801 0.300 . 2 . . . . 40 VAL CG1 . 11276 1 429 . 1 1 40 40 VAL CG2 C 13 22.632 0.300 . 2 . . . . 40 VAL CG2 . 11276 1 430 . 1 1 40 40 VAL N N 15 122.488 0.300 . 1 . . . . 40 VAL N . 11276 1 431 . 1 1 41 41 LEU H H 1 8.531 0.030 . 1 . . . . 41 LEU H . 11276 1 432 . 1 1 41 41 LEU HA H 1 4.379 0.030 . 1 . . . . 41 LEU HA . 11276 1 433 . 1 1 41 41 LEU HB2 H 1 1.366 0.030 . 2 . . . . 41 LEU HB2 . 11276 1 434 . 1 1 41 41 LEU HB3 H 1 1.760 0.030 . 2 . . . . 41 LEU HB3 . 11276 1 435 . 1 1 41 41 LEU HD11 H 1 0.648 0.030 . 1 . . . . 41 LEU HD1 . 11276 1 436 . 1 1 41 41 LEU HD12 H 1 0.648 0.030 . 1 . . . . 41 LEU HD1 . 11276 1 437 . 1 1 41 41 LEU HD13 H 1 0.648 0.030 . 1 . . . . 41 LEU HD1 . 11276 1 438 . 1 1 41 41 LEU HD21 H 1 0.748 0.030 . 1 . . . . 41 LEU HD2 . 11276 1 439 . 1 1 41 41 LEU HD22 H 1 0.748 0.030 . 1 . . . . 41 LEU HD2 . 11276 1 440 . 1 1 41 41 LEU HD23 H 1 0.748 0.030 . 1 . . . . 41 LEU HD2 . 11276 1 441 . 1 1 41 41 LEU HG H 1 1.403 0.030 . 1 . . . . 41 LEU HG . 11276 1 442 . 1 1 41 41 LEU C C 13 180.496 0.300 . 1 . . . . 41 LEU C . 11276 1 443 . 1 1 41 41 LEU CA C 13 57.695 0.300 . 1 . . . . 41 LEU CA . 11276 1 444 . 1 1 41 41 LEU CB C 13 42.128 0.300 . 1 . . . . 41 LEU CB . 11276 1 445 . 1 1 41 41 LEU CD1 C 13 25.843 0.300 . 2 . . . . 41 LEU CD1 . 11276 1 446 . 1 1 41 41 LEU CD2 C 13 24.141 0.300 . 2 . . . . 41 LEU CD2 . 11276 1 447 . 1 1 41 41 LEU CG C 13 27.406 0.300 . 1 . . . . 41 LEU CG . 11276 1 448 . 1 1 41 41 LEU N N 15 122.962 0.300 . 1 . . . . 41 LEU N . 11276 1 449 . 1 1 42 42 ARG H H 1 8.458 0.030 . 1 . . . . 42 ARG H . 11276 1 450 . 1 1 42 42 ARG HA H 1 4.079 0.030 . 1 . . . . 42 ARG HA . 11276 1 451 . 1 1 42 42 ARG HB2 H 1 1.945 0.030 . 2 . . . . 42 ARG HB2 . 11276 1 452 . 1 1 42 42 ARG HB3 H 1 1.901 0.030 . 2 . . . . 42 ARG HB3 . 11276 1 453 . 1 1 42 42 ARG HD2 H 1 3.186 0.030 . 1 . . . . 42 ARG HD2 . 11276 1 454 . 1 1 42 42 ARG HD3 H 1 3.186 0.030 . 1 . . . . 42 ARG HD3 . 11276 1 455 . 1 1 42 42 ARG HG2 H 1 1.631 0.030 . 2 . . . . 42 ARG HG2 . 11276 1 456 . 1 1 42 42 ARG HG3 H 1 1.847 0.030 . 2 . . . . 42 ARG HG3 . 11276 1 457 . 1 1 42 42 ARG C C 13 180.666 0.300 . 1 . . . . 42 ARG C . 11276 1 458 . 1 1 42 42 ARG CA C 13 59.525 0.300 . 1 . . . . 42 ARG CA . 11276 1 459 . 1 1 42 42 ARG CB C 13 29.956 0.300 . 1 . . . . 42 ARG CB . 11276 1 460 . 1 1 42 42 ARG CD C 13 43.278 0.300 . 1 . . . . 42 ARG CD . 11276 1 461 . 1 1 42 42 ARG CG C 13 28.230 0.300 . 1 . . . . 42 ARG CG . 11276 1 462 . 1 1 42 42 ARG N N 15 118.776 0.300 . 1 . . . . 42 ARG N . 11276 1 463 . 1 1 43 43 ALA H H 1 8.274 0.030 . 1 . . . . 43 ALA H . 11276 1 464 . 1 1 43 43 ALA HA H 1 4.211 0.030 . 1 . . . . 43 ALA HA . 11276 1 465 . 1 1 43 43 ALA HB1 H 1 1.546 0.030 . 1 . . . . 43 ALA HB . 11276 1 466 . 1 1 43 43 ALA HB2 H 1 1.546 0.030 . 1 . . . . 43 ALA HB . 11276 1 467 . 1 1 43 43 ALA HB3 H 1 1.546 0.030 . 1 . . . . 43 ALA HB . 11276 1 468 . 1 1 43 43 ALA C C 13 178.922 0.300 . 1 . . . . 43 ALA C . 11276 1 469 . 1 1 43 43 ALA CA C 13 54.775 0.300 . 1 . . . . 43 ALA CA . 11276 1 470 . 1 1 43 43 ALA CB C 13 17.944 0.300 . 1 . . . . 43 ALA CB . 11276 1 471 . 1 1 43 43 ALA N N 15 124.535 0.300 . 1 . . . . 43 ALA N . 11276 1 472 . 1 1 44 44 ASN H H 1 7.550 0.030 . 1 . . . . 44 ASN H . 11276 1 473 . 1 1 44 44 ASN HA H 1 4.860 0.030 . 1 . . . . 44 ASN HA . 11276 1 474 . 1 1 44 44 ASN HB2 H 1 2.681 0.030 . 2 . . . . 44 ASN HB2 . 11276 1 475 . 1 1 44 44 ASN HB3 H 1 2.994 0.030 . 2 . . . . 44 ASN HB3 . 11276 1 476 . 1 1 44 44 ASN HD21 H 1 7.257 0.030 . 2 . . . . 44 ASN HD21 . 11276 1 477 . 1 1 44 44 ASN HD22 H 1 7.185 0.030 . 2 . . . . 44 ASN HD22 . 11276 1 478 . 1 1 44 44 ASN C C 13 175.312 0.300 . 1 . . . . 44 ASN C . 11276 1 479 . 1 1 44 44 ASN CA C 13 53.438 0.300 . 1 . . . . 44 ASN CA . 11276 1 480 . 1 1 44 44 ASN CB C 13 39.345 0.300 . 1 . . . . 44 ASN CB . 11276 1 481 . 1 1 44 44 ASN N N 15 114.515 0.300 . 1 . . . . 44 ASN N . 11276 1 482 . 1 1 44 44 ASN ND2 N 15 115.381 0.300 . 1 . . . . 44 ASN ND2 . 11276 1 483 . 1 1 45 45 SER H H 1 8.323 0.030 . 1 . . . . 45 SER H . 11276 1 484 . 1 1 45 45 SER HA H 1 4.190 0.030 . 1 . . . . 45 SER HA . 11276 1 485 . 1 1 45 45 SER HB2 H 1 4.017 0.030 . 2 . . . . 45 SER HB2 . 11276 1 486 . 1 1 45 45 SER HB3 H 1 4.142 0.030 . 2 . . . . 45 SER HB3 . 11276 1 487 . 1 1 45 45 SER C C 13 174.997 0.300 . 1 . . . . 45 SER C . 11276 1 488 . 1 1 45 45 SER CA C 13 58.997 0.300 . 1 . . . . 45 SER CA . 11276 1 489 . 1 1 45 45 SER CB C 13 61.648 0.300 . 1 . . . . 45 SER CB . 11276 1 490 . 1 1 45 45 SER N N 15 115.462 0.300 . 1 . . . . 45 SER N . 11276 1 491 . 1 1 46 46 GLY H H 1 8.595 0.030 . 1 . . . . 46 GLY H . 11276 1 492 . 1 1 46 46 GLY HA2 H 1 3.337 0.030 . 2 . . . . 46 GLY HA2 . 11276 1 493 . 1 1 46 46 GLY HA3 H 1 4.154 0.030 . 2 . . . . 46 GLY HA3 . 11276 1 494 . 1 1 46 46 GLY C C 13 173.519 0.300 . 1 . . . . 46 GLY C . 11276 1 495 . 1 1 46 46 GLY CA C 13 45.099 0.300 . 1 . . . . 46 GLY CA . 11276 1 496 . 1 1 46 46 GLY N N 15 105.091 0.300 . 1 . . . . 46 GLY N . 11276 1 497 . 1 1 47 47 ALA H H 1 7.533 0.030 . 1 . . . . 47 ALA H . 11276 1 498 . 1 1 47 47 ALA HA H 1 4.453 0.030 . 1 . . . . 47 ALA HA . 11276 1 499 . 1 1 47 47 ALA HB1 H 1 1.575 0.030 . 1 . . . . 47 ALA HB . 11276 1 500 . 1 1 47 47 ALA HB2 H 1 1.575 0.030 . 1 . . . . 47 ALA HB . 11276 1 501 . 1 1 47 47 ALA HB3 H 1 1.575 0.030 . 1 . . . . 47 ALA HB . 11276 1 502 . 1 1 47 47 ALA C C 13 178.267 0.300 . 1 . . . . 47 ALA C . 11276 1 503 . 1 1 47 47 ALA CA C 13 52.382 0.300 . 1 . . . . 47 ALA CA . 11276 1 504 . 1 1 47 47 ALA CB C 13 18.721 0.300 . 1 . . . . 47 ALA CB . 11276 1 505 . 1 1 47 47 ALA N N 15 122.792 0.300 . 1 . . . . 47 ALA N . 11276 1 506 . 1 1 48 48 VAL H H 1 8.717 0.030 . 1 . . . . 48 VAL H . 11276 1 507 . 1 1 48 48 VAL HA H 1 3.608 0.030 . 1 . . . . 48 VAL HA . 11276 1 508 . 1 1 48 48 VAL HB H 1 2.090 0.030 . 1 . . . . 48 VAL HB . 11276 1 509 . 1 1 48 48 VAL HG11 H 1 0.977 0.030 . 1 . . . . 48 VAL HG1 . 11276 1 510 . 1 1 48 48 VAL HG12 H 1 0.977 0.030 . 1 . . . . 48 VAL HG1 . 11276 1 511 . 1 1 48 48 VAL HG13 H 1 0.977 0.030 . 1 . . . . 48 VAL HG1 . 11276 1 512 . 1 1 48 48 VAL HG21 H 1 1.108 0.030 . 1 . . . . 48 VAL HG2 . 11276 1 513 . 1 1 48 48 VAL HG22 H 1 1.108 0.030 . 1 . . . . 48 VAL HG2 . 11276 1 514 . 1 1 48 48 VAL HG23 H 1 1.108 0.030 . 1 . . . . 48 VAL HG2 . 11276 1 515 . 1 1 48 48 VAL C C 13 177.032 0.300 . 1 . . . . 48 VAL C . 11276 1 516 . 1 1 48 48 VAL CA C 13 67.301 0.300 . 1 . . . . 48 VAL CA . 11276 1 517 . 1 1 48 48 VAL CB C 13 32.463 0.300 . 1 . . . . 48 VAL CB . 11276 1 518 . 1 1 48 48 VAL CG1 C 13 21.241 0.300 . 2 . . . . 48 VAL CG1 . 11276 1 519 . 1 1 48 48 VAL CG2 C 13 22.613 0.300 . 2 . . . . 48 VAL CG2 . 11276 1 520 . 1 1 48 48 VAL N N 15 129.111 0.300 . 1 . . . . 48 VAL N . 11276 1 521 . 1 1 49 49 ASP H H 1 8.609 0.030 . 1 . . . . 49 ASP H . 11276 1 522 . 1 1 49 49 ASP HA H 1 4.328 0.030 . 1 . . . . 49 ASP HA . 11276 1 523 . 1 1 49 49 ASP HB2 H 1 2.692 0.030 . 2 . . . . 49 ASP HB2 . 11276 1 524 . 1 1 49 49 ASP HB3 H 1 2.749 0.030 . 2 . . . . 49 ASP HB3 . 11276 1 525 . 1 1 49 49 ASP C C 13 178.461 0.300 . 1 . . . . 49 ASP C . 11276 1 526 . 1 1 49 49 ASP CA C 13 57.660 0.300 . 1 . . . . 49 ASP CA . 11276 1 527 . 1 1 49 49 ASP CB C 13 39.167 0.300 . 1 . . . . 49 ASP CB . 11276 1 528 . 1 1 49 49 ASP N N 15 120.440 0.300 . 1 . . . . 49 ASP N . 11276 1 529 . 1 1 50 50 ALA H H 1 7.921 0.030 . 1 . . . . 50 ALA H . 11276 1 530 . 1 1 50 50 ALA HA H 1 4.166 0.030 . 1 . . . . 50 ALA HA . 11276 1 531 . 1 1 50 50 ALA HB1 H 1 1.368 0.030 . 1 . . . . 50 ALA HB . 11276 1 532 . 1 1 50 50 ALA HB2 H 1 1.368 0.030 . 1 . . . . 50 ALA HB . 11276 1 533 . 1 1 50 50 ALA HB3 H 1 1.368 0.030 . 1 . . . . 50 ALA HB . 11276 1 534 . 1 1 50 50 ALA C C 13 179.842 0.300 . 1 . . . . 50 ALA C . 11276 1 535 . 1 1 50 50 ALA CA C 13 54.328 0.300 . 1 . . . . 50 ALA CA . 11276 1 536 . 1 1 50 50 ALA CB C 13 18.690 0.300 . 1 . . . . 50 ALA CB . 11276 1 537 . 1 1 50 50 ALA N N 15 121.955 0.300 . 1 . . . . 50 ALA N . 11276 1 538 . 1 1 51 51 THR H H 1 7.501 0.030 . 1 . . . . 51 THR H . 11276 1 539 . 1 1 51 51 THR HA H 1 3.623 0.030 . 1 . . . . 51 THR HA . 11276 1 540 . 1 1 51 51 THR HB H 1 4.333 0.030 . 1 . . . . 51 THR HB . 11276 1 541 . 1 1 51 51 THR HG21 H 1 0.708 0.030 . 1 . . . . 51 THR HG2 . 11276 1 542 . 1 1 51 51 THR HG22 H 1 0.708 0.030 . 1 . . . . 51 THR HG2 . 11276 1 543 . 1 1 51 51 THR HG23 H 1 0.708 0.030 . 1 . . . . 51 THR HG2 . 11276 1 544 . 1 1 51 51 THR C C 13 175.530 0.300 . 1 . . . . 51 THR C . 11276 1 545 . 1 1 51 51 THR CA C 13 67.160 0.300 . 1 . . . . 51 THR CA . 11276 1 546 . 1 1 51 51 THR CB C 13 67.678 0.300 . 1 . . . . 51 THR CB . 11276 1 547 . 1 1 51 51 THR CG2 C 13 21.157 0.300 . 1 . . . . 51 THR CG2 . 11276 1 548 . 1 1 51 51 THR N N 15 115.482 0.300 . 1 . . . . 51 THR N . 11276 1 549 . 1 1 52 52 ILE H H 1 8.518 0.030 . 1 . . . . 52 ILE H . 11276 1 550 . 1 1 52 52 ILE HA H 1 3.600 0.030 . 1 . . . . 52 ILE HA . 11276 1 551 . 1 1 52 52 ILE HB H 1 2.058 0.030 . 1 . . . . 52 ILE HB . 11276 1 552 . 1 1 52 52 ILE HD11 H 1 0.910 0.030 . 1 . . . . 52 ILE HD1 . 11276 1 553 . 1 1 52 52 ILE HD12 H 1 0.910 0.030 . 1 . . . . 52 ILE HD1 . 11276 1 554 . 1 1 52 52 ILE HD13 H 1 0.910 0.030 . 1 . . . . 52 ILE HD1 . 11276 1 555 . 1 1 52 52 ILE HG12 H 1 1.143 0.030 . 2 . . . . 52 ILE HG12 . 11276 1 556 . 1 1 52 52 ILE HG13 H 1 2.068 0.030 . 2 . . . . 52 ILE HG13 . 11276 1 557 . 1 1 52 52 ILE HG21 H 1 1.066 0.030 . 1 . . . . 52 ILE HG2 . 11276 1 558 . 1 1 52 52 ILE HG22 H 1 1.066 0.030 . 1 . . . . 52 ILE HG2 . 11276 1 559 . 1 1 52 52 ILE HG23 H 1 1.066 0.030 . 1 . . . . 52 ILE HG2 . 11276 1 560 . 1 1 52 52 ILE C C 13 176.959 0.300 . 1 . . . . 52 ILE C . 11276 1 561 . 1 1 52 52 ILE CA C 13 66.668 0.300 . 1 . . . . 52 ILE CA . 11276 1 562 . 1 1 52 52 ILE CB C 13 38.215 0.300 . 1 . . . . 52 ILE CB . 11276 1 563 . 1 1 52 52 ILE CD1 C 13 14.123 0.300 . 1 . . . . 52 ILE CD1 . 11276 1 564 . 1 1 52 52 ILE CG1 C 13 30.676 0.300 . 1 . . . . 52 ILE CG1 . 11276 1 565 . 1 1 52 52 ILE CG2 C 13 17.314 0.300 . 1 . . . . 52 ILE CG2 . 11276 1 566 . 1 1 52 52 ILE N N 15 122.221 0.300 . 1 . . . . 52 ILE N . 11276 1 567 . 1 1 53 53 ASP H H 1 7.784 0.030 . 1 . . . . 53 ASP H . 11276 1 568 . 1 1 53 53 ASP HA H 1 4.390 0.030 . 1 . . . . 53 ASP HA . 11276 1 569 . 1 1 53 53 ASP HB2 H 1 2.636 0.030 . 2 . . . . 53 ASP HB2 . 11276 1 570 . 1 1 53 53 ASP HB3 H 1 2.694 0.030 . 2 . . . . 53 ASP HB3 . 11276 1 571 . 1 1 53 53 ASP C C 13 178.849 0.300 . 1 . . . . 53 ASP C . 11276 1 572 . 1 1 53 53 ASP CA C 13 57.695 0.300 . 1 . . . . 53 ASP CA . 11276 1 573 . 1 1 53 53 ASP CB C 13 40.728 0.300 . 1 . . . . 53 ASP CB . 11276 1 574 . 1 1 53 53 ASP N N 15 117.511 0.300 . 1 . . . . 53 ASP N . 11276 1 575 . 1 1 54 54 GLN H H 1 7.731 0.030 . 1 . . . . 54 GLN H . 11276 1 576 . 1 1 54 54 GLN HA H 1 4.022 0.030 . 1 . . . . 54 GLN HA . 11276 1 577 . 1 1 54 54 GLN HB2 H 1 1.877 0.030 . 2 . . . . 54 GLN HB2 . 11276 1 578 . 1 1 54 54 GLN HB3 H 1 2.116 0.030 . 2 . . . . 54 GLN HB3 . 11276 1 579 . 1 1 54 54 GLN HE21 H 1 6.762 0.030 . 2 . . . . 54 GLN HE21 . 11276 1 580 . 1 1 54 54 GLN HE22 H 1 7.339 0.030 . 2 . . . . 54 GLN HE22 . 11276 1 581 . 1 1 54 54 GLN HG2 H 1 2.500 0.030 . 2 . . . . 54 GLN HG2 . 11276 1 582 . 1 1 54 54 GLN HG3 H 1 2.297 0.030 . 2 . . . . 54 GLN HG3 . 11276 1 583 . 1 1 54 54 GLN C C 13 178.897 0.300 . 1 . . . . 54 GLN C . 11276 1 584 . 1 1 54 54 GLN CA C 13 59.173 0.300 . 1 . . . . 54 GLN CA . 11276 1 585 . 1 1 54 54 GLN CB C 13 28.239 0.300 . 1 . . . . 54 GLN CB . 11276 1 586 . 1 1 54 54 GLN CG C 13 33.860 0.300 . 1 . . . . 54 GLN CG . 11276 1 587 . 1 1 54 54 GLN N N 15 118.700 0.300 . 1 . . . . 54 GLN N . 11276 1 588 . 1 1 54 54 GLN NE2 N 15 110.871 0.300 . 1 . . . . 54 GLN NE2 . 11276 1 589 . 1 1 55 55 LEU H H 1 8.510 0.030 . 1 . . . . 55 LEU H . 11276 1 590 . 1 1 55 55 LEU HA H 1 3.873 0.030 . 1 . . . . 55 LEU HA . 11276 1 591 . 1 1 55 55 LEU HB2 H 1 1.491 0.030 . 2 . . . . 55 LEU HB2 . 11276 1 592 . 1 1 55 55 LEU HB3 H 1 0.353 0.030 . 2 . . . . 55 LEU HB3 . 11276 1 593 . 1 1 55 55 LEU HD11 H 1 0.294 0.030 . 1 . . . . 55 LEU HD1 . 11276 1 594 . 1 1 55 55 LEU HD12 H 1 0.294 0.030 . 1 . . . . 55 LEU HD1 . 11276 1 595 . 1 1 55 55 LEU HD13 H 1 0.294 0.030 . 1 . . . . 55 LEU HD1 . 11276 1 596 . 1 1 55 55 LEU HD21 H 1 0.575 0.030 . 1 . . . . 55 LEU HD2 . 11276 1 597 . 1 1 55 55 LEU HD22 H 1 0.575 0.030 . 1 . . . . 55 LEU HD2 . 11276 1 598 . 1 1 55 55 LEU HD23 H 1 0.575 0.030 . 1 . . . . 55 LEU HD2 . 11276 1 599 . 1 1 55 55 LEU HG H 1 1.614 0.030 . 1 . . . . 55 LEU HG . 11276 1 600 . 1 1 55 55 LEU C C 13 179.673 0.300 . 1 . . . . 55 LEU C . 11276 1 601 . 1 1 55 55 LEU CA C 13 57.766 0.300 . 1 . . . . 55 LEU CA . 11276 1 602 . 1 1 55 55 LEU CB C 13 41.057 0.300 . 1 . . . . 55 LEU CB . 11276 1 603 . 1 1 55 55 LEU CD1 C 13 27.325 0.300 . 2 . . . . 55 LEU CD1 . 11276 1 604 . 1 1 55 55 LEU CD2 C 13 22.884 0.300 . 2 . . . . 55 LEU CD2 . 11276 1 605 . 1 1 55 55 LEU CG C 13 26.653 0.300 . 1 . . . . 55 LEU CG . 11276 1 606 . 1 1 55 55 LEU N N 15 120.800 0.300 . 1 . . . . 55 LEU N . 11276 1 607 . 1 1 56 56 LEU H H 1 8.545 0.030 . 1 . . . . 56 LEU H . 11276 1 608 . 1 1 56 56 LEU HA H 1 4.136 0.030 . 1 . . . . 56 LEU HA . 11276 1 609 . 1 1 56 56 LEU HB2 H 1 1.579 0.030 . 2 . . . . 56 LEU HB2 . 11276 1 610 . 1 1 56 56 LEU HB3 H 1 2.023 0.030 . 2 . . . . 56 LEU HB3 . 11276 1 611 . 1 1 56 56 LEU HD11 H 1 1.004 0.030 . 1 . . . . 56 LEU HD1 . 11276 1 612 . 1 1 56 56 LEU HD12 H 1 1.004 0.030 . 1 . . . . 56 LEU HD1 . 11276 1 613 . 1 1 56 56 LEU HD13 H 1 1.004 0.030 . 1 . . . . 56 LEU HD1 . 11276 1 614 . 1 1 56 56 LEU HD21 H 1 1.031 0.030 . 1 . . . . 56 LEU HD2 . 11276 1 615 . 1 1 56 56 LEU HD22 H 1 1.031 0.030 . 1 . . . . 56 LEU HD2 . 11276 1 616 . 1 1 56 56 LEU HD23 H 1 1.031 0.030 . 1 . . . . 56 LEU HD2 . 11276 1 617 . 1 1 56 56 LEU HG H 1 1.999 0.030 . 1 . . . . 56 LEU HG . 11276 1 618 . 1 1 56 56 LEU C C 13 179.842 0.300 . 1 . . . . 56 LEU C . 11276 1 619 . 1 1 56 56 LEU CA C 13 58.082 0.300 . 1 . . . . 56 LEU CA . 11276 1 620 . 1 1 56 56 LEU CB C 13 41.985 0.300 . 1 . . . . 56 LEU CB . 11276 1 621 . 1 1 56 56 LEU CD1 C 13 26.009 0.300 . 2 . . . . 56 LEU CD1 . 11276 1 622 . 1 1 56 56 LEU CD2 C 13 23.526 0.300 . 2 . . . . 56 LEU CD2 . 11276 1 623 . 1 1 56 56 LEU CG C 13 27.100 0.300 . 1 . . . . 56 LEU CG . 11276 1 624 . 1 1 56 56 LEU N N 15 119.585 0.300 . 1 . . . . 56 LEU N . 11276 1 625 . 1 1 57 57 GLN H H 1 7.533 0.030 . 1 . . . . 57 GLN H . 11276 1 626 . 1 1 57 57 GLN HA H 1 4.139 0.030 . 1 . . . . 57 GLN HA . 11276 1 627 . 1 1 57 57 GLN HB2 H 1 2.126 0.030 . 2 . . . . 57 GLN HB2 . 11276 1 628 . 1 1 57 57 GLN HB3 H 1 2.222 0.030 . 2 . . . . 57 GLN HB3 . 11276 1 629 . 1 1 57 57 GLN HE21 H 1 7.510 0.030 . 2 . . . . 57 GLN HE21 . 11276 1 630 . 1 1 57 57 GLN HE22 H 1 6.785 0.030 . 2 . . . . 57 GLN HE22 . 11276 1 631 . 1 1 57 57 GLN HG2 H 1 2.418 0.030 . 2 . . . . 57 GLN HG2 . 11276 1 632 . 1 1 57 57 GLN HG3 H 1 2.501 0.030 . 2 . . . . 57 GLN HG3 . 11276 1 633 . 1 1 57 57 GLN C C 13 177.952 0.300 . 1 . . . . 57 GLN C . 11276 1 634 . 1 1 57 57 GLN CA C 13 57.660 0.300 . 1 . . . . 57 GLN CA . 11276 1 635 . 1 1 57 57 GLN CB C 13 28.491 0.300 . 1 . . . . 57 GLN CB . 11276 1 636 . 1 1 57 57 GLN CG C 13 33.804 0.300 . 1 . . . . 57 GLN CG . 11276 1 637 . 1 1 57 57 GLN N N 15 117.364 0.300 . 1 . . . . 57 GLN N . 11276 1 638 . 1 1 57 57 GLN NE2 N 15 112.534 0.300 . 1 . . . . 57 GLN NE2 . 11276 1 639 . 1 1 58 58 MET H H 1 7.884 0.030 . 1 . . . . 58 MET H . 11276 1 640 . 1 1 58 58 MET HA H 1 4.148 0.030 . 1 . . . . 58 MET HA . 11276 1 641 . 1 1 58 58 MET HB2 H 1 2.134 0.030 . 2 . . . . 58 MET HB2 . 11276 1 642 . 1 1 58 58 MET HB3 H 1 2.027 0.030 . 2 . . . . 58 MET HB3 . 11276 1 643 . 1 1 58 58 MET HE1 H 1 1.964 0.030 . 1 . . . . 58 MET HE . 11276 1 644 . 1 1 58 58 MET HE2 H 1 1.964 0.030 . 1 . . . . 58 MET HE . 11276 1 645 . 1 1 58 58 MET HE3 H 1 1.964 0.030 . 1 . . . . 58 MET HE . 11276 1 646 . 1 1 58 58 MET HG2 H 1 2.515 0.030 . 2 . . . . 58 MET HG2 . 11276 1 647 . 1 1 58 58 MET HG3 H 1 2.713 0.030 . 2 . . . . 58 MET HG3 . 11276 1 648 . 1 1 58 58 MET C C 13 177.080 0.300 . 1 . . . . 58 MET C . 11276 1 649 . 1 1 58 58 MET CA C 13 57.906 0.300 . 1 . . . . 58 MET CA . 11276 1 650 . 1 1 58 58 MET CB C 13 33.638 0.300 . 1 . . . . 58 MET CB . 11276 1 651 . 1 1 58 58 MET CE C 13 16.687 0.300 . 1 . . . . 58 MET CE . 11276 1 652 . 1 1 58 58 MET CG C 13 32.240 0.300 . 1 . . . . 58 MET CG . 11276 1 653 . 1 1 58 58 MET N N 15 118.645 0.300 . 1 . . . . 58 MET N . 11276 1 654 . 1 1 59 59 ASN H H 1 8.080 0.030 . 1 . . . . 59 ASN H . 11276 1 655 . 1 1 59 59 ASN HA H 1 4.613 0.030 . 1 . . . . 59 ASN HA . 11276 1 656 . 1 1 59 59 ASN HB2 H 1 2.766 0.030 . 2 . . . . 59 ASN HB2 . 11276 1 657 . 1 1 59 59 ASN HB3 H 1 2.918 0.030 . 2 . . . . 59 ASN HB3 . 11276 1 658 . 1 1 59 59 ASN HD21 H 1 6.933 0.030 . 2 . . . . 59 ASN HD21 . 11276 1 659 . 1 1 59 59 ASN HD22 H 1 7.686 0.030 . 2 . . . . 59 ASN HD22 . 11276 1 660 . 1 1 59 59 ASN C C 13 175.699 0.300 . 1 . . . . 59 ASN C . 11276 1 661 . 1 1 59 59 ASN CA C 13 54.117 0.300 . 1 . . . . 59 ASN CA . 11276 1 662 . 1 1 59 59 ASN CB C 13 39.330 0.300 . 1 . . . . 59 ASN CB . 11276 1 663 . 1 1 59 59 ASN N N 15 117.957 0.300 . 1 . . . . 59 ASN N . 11276 1 664 . 1 1 59 59 ASN ND2 N 15 113.420 0.300 . 1 . . . . 59 ASN ND2 . 11276 1 665 . 1 1 60 60 LEU H H 1 7.923 0.030 . 1 . . . . 60 LEU H . 11276 1 666 . 1 1 60 60 LEU HA H 1 4.306 0.030 . 1 . . . . 60 LEU HA . 11276 1 667 . 1 1 60 60 LEU HB2 H 1 1.623 0.030 . 2 . . . . 60 LEU HB2 . 11276 1 668 . 1 1 60 60 LEU HB3 H 1 1.749 0.030 . 2 . . . . 60 LEU HB3 . 11276 1 669 . 1 1 60 60 LEU HD11 H 1 0.943 0.030 . 1 . . . . 60 LEU HD1 . 11276 1 670 . 1 1 60 60 LEU HD12 H 1 0.943 0.030 . 1 . . . . 60 LEU HD1 . 11276 1 671 . 1 1 60 60 LEU HD13 H 1 0.943 0.030 . 1 . . . . 60 LEU HD1 . 11276 1 672 . 1 1 60 60 LEU HD21 H 1 0.895 0.030 . 1 . . . . 60 LEU HD2 . 11276 1 673 . 1 1 60 60 LEU HD22 H 1 0.895 0.030 . 1 . . . . 60 LEU HD2 . 11276 1 674 . 1 1 60 60 LEU HD23 H 1 0.895 0.030 . 1 . . . . 60 LEU HD2 . 11276 1 675 . 1 1 60 60 LEU HG H 1 1.718 0.030 . 1 . . . . 60 LEU HG . 11276 1 676 . 1 1 60 60 LEU C C 13 178.025 0.300 . 1 . . . . 60 LEU C . 11276 1 677 . 1 1 60 60 LEU CA C 13 55.971 0.300 . 1 . . . . 60 LEU CA . 11276 1 678 . 1 1 60 60 LEU CB C 13 42.295 0.300 . 1 . . . . 60 LEU CB . 11276 1 679 . 1 1 60 60 LEU CD1 C 13 25.186 0.300 . 2 . . . . 60 LEU CD1 . 11276 1 680 . 1 1 60 60 LEU CD2 C 13 23.360 0.300 . 2 . . . . 60 LEU CD2 . 11276 1 681 . 1 1 60 60 LEU CG C 13 26.878 0.300 . 1 . . . . 60 LEU CG . 11276 1 682 . 1 1 60 60 LEU N N 15 121.237 0.300 . 1 . . . . 60 LEU N . 11276 1 683 . 1 1 61 61 GLU H H 1 8.181 0.030 . 1 . . . . 61 GLU H . 11276 1 684 . 1 1 61 61 GLU HA H 1 4.289 0.030 . 1 . . . . 61 GLU HA . 11276 1 685 . 1 1 61 61 GLU HB2 H 1 2.004 0.030 . 2 . . . . 61 GLU HB2 . 11276 1 686 . 1 1 61 61 GLU HB3 H 1 2.118 0.030 . 2 . . . . 61 GLU HB3 . 11276 1 687 . 1 1 61 61 GLU HG2 H 1 2.239 0.030 . 2 . . . . 61 GLU HG2 . 11276 1 688 . 1 1 61 61 GLU HG3 H 1 2.329 0.030 . 2 . . . . 61 GLU HG3 . 11276 1 689 . 1 1 61 61 GLU C C 13 176.741 0.300 . 1 . . . . 61 GLU C . 11276 1 690 . 1 1 61 61 GLU CA C 13 56.921 0.300 . 1 . . . . 61 GLU CA . 11276 1 691 . 1 1 61 61 GLU CB C 13 30.202 0.300 . 1 . . . . 61 GLU CB . 11276 1 692 . 1 1 61 61 GLU CG C 13 36.288 0.300 . 1 . . . . 61 GLU CG . 11276 1 693 . 1 1 61 61 GLU N N 15 120.168 0.300 . 1 . . . . 61 GLU N . 11276 1 694 . 1 1 62 62 SER H H 1 8.142 0.030 . 1 . . . . 62 SER H . 11276 1 695 . 1 1 62 62 SER HA H 1 4.482 0.030 . 1 . . . . 62 SER HA . 11276 1 696 . 1 1 62 62 SER HB2 H 1 3.900 0.030 . 1 . . . . 62 SER HB2 . 11276 1 697 . 1 1 62 62 SER HB3 H 1 3.900 0.030 . 1 . . . . 62 SER HB3 . 11276 1 698 . 1 1 62 62 SER C C 13 174.682 0.300 . 1 . . . . 62 SER C . 11276 1 699 . 1 1 62 62 SER CA C 13 58.645 0.300 . 1 . . . . 62 SER CA . 11276 1 700 . 1 1 62 62 SER CB C 13 64.000 0.300 . 1 . . . . 62 SER CB . 11276 1 701 . 1 1 62 62 SER N N 15 115.898 0.300 . 1 . . . . 62 SER N . 11276 1 702 . 1 1 63 63 GLY H H 1 8.170 0.030 . 1 . . . . 63 GLY H . 11276 1 703 . 1 1 63 63 GLY HA2 H 1 4.190 0.030 . 2 . . . . 63 GLY HA2 . 11276 1 704 . 1 1 63 63 GLY HA3 H 1 4.087 0.030 . 2 . . . . 63 GLY HA3 . 11276 1 705 . 1 1 63 63 GLY C C 13 171.871 0.300 . 1 . . . . 63 GLY C . 11276 1 706 . 1 1 63 63 GLY CA C 13 44.782 0.300 . 1 . . . . 63 GLY CA . 11276 1 707 . 1 1 63 63 GLY N N 15 110.596 0.300 . 1 . . . . 63 GLY N . 11276 1 708 . 1 1 64 64 PRO HA H 1 4.483 0.030 . 1 . . . . 64 PRO HA . 11276 1 709 . 1 1 64 64 PRO HB2 H 1 1.969 0.030 . 2 . . . . 64 PRO HB2 . 11276 1 710 . 1 1 64 64 PRO HB3 H 1 2.289 0.030 . 2 . . . . 64 PRO HB3 . 11276 1 711 . 1 1 64 64 PRO HD2 H 1 3.639 0.030 . 1 . . . . 64 PRO HD2 . 11276 1 712 . 1 1 64 64 PRO HD3 H 1 3.639 0.030 . 1 . . . . 64 PRO HD3 . 11276 1 713 . 1 1 64 64 PRO HG2 H 1 2.022 0.030 . 1 . . . . 64 PRO HG2 . 11276 1 714 . 1 1 64 64 PRO HG3 H 1 2.022 0.030 . 1 . . . . 64 PRO HG3 . 11276 1 715 . 1 1 64 64 PRO C C 13 177.419 0.300 . 1 . . . . 64 PRO C . 11276 1 716 . 1 1 64 64 PRO CA C 13 63.184 0.300 . 1 . . . . 64 PRO CA . 11276 1 717 . 1 1 64 64 PRO CB C 13 32.258 0.300 . 1 . . . . 64 PRO CB . 11276 1 718 . 1 1 64 64 PRO CD C 13 49.774 0.300 . 1 . . . . 64 PRO CD . 11276 1 719 . 1 1 64 64 PRO CG C 13 27.242 0.300 . 1 . . . . 64 PRO CG . 11276 1 720 . 1 1 65 65 SER H H 1 8.537 0.030 . 1 . . . . 65 SER H . 11276 1 721 . 1 1 65 65 SER HA H 1 4.500 0.030 . 1 . . . . 65 SER HA . 11276 1 722 . 1 1 65 65 SER HB2 H 1 3.903 0.030 . 1 . . . . 65 SER HB2 . 11276 1 723 . 1 1 65 65 SER HB3 H 1 3.903 0.030 . 1 . . . . 65 SER HB3 . 11276 1 724 . 1 1 65 65 SER C C 13 174.803 0.300 . 1 . . . . 65 SER C . 11276 1 725 . 1 1 65 65 SER CA C 13 58.293 0.300 . 1 . . . . 65 SER CA . 11276 1 726 . 1 1 65 65 SER CB C 13 63.918 0.300 . 1 . . . . 65 SER CB . 11276 1 727 . 1 1 65 65 SER N N 15 116.481 0.300 . 1 . . . . 65 SER N . 11276 1 728 . 1 1 66 66 SER H H 1 8.359 0.030 . 1 . . . . 66 SER H . 11276 1 729 . 1 1 66 66 SER C C 13 173.979 0.300 . 1 . . . . 66 SER C . 11276 1 730 . 1 1 66 66 SER CA C 13 58.399 0.300 . 1 . . . . 66 SER CA . 11276 1 731 . 1 1 66 66 SER CB C 13 63.918 0.300 . 1 . . . . 66 SER CB . 11276 1 732 . 1 1 66 66 SER N N 15 118.013 0.300 . 1 . . . . 66 SER N . 11276 1 stop_ save_