data_11274 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11274 _Entry.Title ; Solution Structure of the Novel Identified UBA-like Domain in the N-terminal of Human ETEA Protein ; _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 . . . 11274 2 T. Kigawa . . . 11274 3 M. Yoneyama . . . 11274 4 S. Koshiba . . . 11274 5 M. Inoue . . . 11274 6 S. Yokoyama . . . 11274 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)' . 11274 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11274 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 11274 '15N chemical shifts' 68 11274 '1H chemical shifts' 399 11274 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 . 11274 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DAM 'BMRB Entry Tracking System' 11274 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11274 _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 Novel Identified UBA-like Domain in the N-terminal of Human ETEA Protein ; _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 . . . 11274 1 2 T. Kigawa . . . 11274 1 3 M. Yoneyama . . . 11274 1 4 S. Koshiba . . . 11274 1 5 M. Inoue . . . 11274 1 6 S. Yokoyama . . . 11274 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11274 _Assembly.ID 1 _Assembly.Name 'ETEA protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'UBA-like domain' 1 $entity_1 A . yes native no no . . . 11274 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 2dam . . . . . . 11274 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11274 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UBA-like domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGAPEERDLTQEQTE KLLQFQDLTGIESMDQCRHT LEQHNWNIEAAVQDRLNEQE GSGPSSG ; _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 2DAM . "Solution Structure Of The Novel Identified Uba-Like Domain In The N-Terminal Of Human Etea Protein" . . . . . 100.00 67 100.00 100.00 1.61e-39 . . . . 11274 1 2 no DBJ BAA74910 . "KIAA0887 protein [Homo sapiens]" . . . . . 80.60 443 100.00 100.00 2.41e-28 . . . . 11274 1 3 no DBJ BAC22491 . "ETEA [Homo sapiens]" . . . . . 82.09 445 98.18 98.18 1.51e-28 . . . . 11274 1 4 no DBJ BAG09890 . "UBX domain-containing protein 8 [synthetic construct]" . . . . . 82.09 445 98.18 98.18 1.51e-28 . . . . 11274 1 5 no DBJ BAG65190 . "unnamed protein product [Homo sapiens]" . . . . . 82.09 212 98.18 98.18 8.65e-30 . . . . 11274 1 6 no GB AAH01069 . "Fas associated factor family member 2 [Homo sapiens]" . . . . . 82.09 445 98.18 98.18 1.51e-28 . . . . 11274 1 7 no GB AAH06145 . "Fas associated factor family member 2 [Homo sapiens]" . . . . . 82.09 445 98.18 98.18 1.51e-28 . . . . 11274 1 8 no GB AAH14001 . "Fas associated factor family member 2 [Homo sapiens]" . . . . . 82.09 445 98.18 98.18 1.51e-28 . . . . 11274 1 9 no GB AAI05573 . "Fas associated factor family member 2 [Bos taurus]" . . . . . 82.09 445 98.18 98.18 1.58e-28 . . . . 11274 1 10 no GB AIC50926 . "FAF2, partial [synthetic construct]" . . . . . 82.09 445 98.18 98.18 1.51e-28 . . . . 11274 1 11 no REF NP_001070488 . "FAS-associated factor 2 [Bos taurus]" . . . . . 82.09 445 98.18 98.18 1.58e-28 . . . . 11274 1 12 no REF NP_001247827 . "FAS-associated factor 2 [Macaca mulatta]" . . . . . 82.09 445 98.18 98.18 1.44e-28 . . . . 11274 1 13 no REF NP_055428 . "FAS-associated factor 2 [Homo sapiens]" . . . . . 82.09 445 98.18 98.18 1.51e-28 . . . . 11274 1 14 no REF XP_001517276 . "PREDICTED: FAS-associated factor 2, partial [Ornithorhynchus anatinus]" . . . . . 55.22 323 97.30 97.30 1.79e-16 . . . . 11274 1 15 no REF XP_002710457 . "PREDICTED: FAS-associated factor 2 isoform X1 [Oryctolagus cuniculus]" . . . . . 82.09 445 98.18 98.18 1.47e-28 . . . . 11274 1 16 no SP Q2HJD0 . "RecName: Full=FAS-associated factor 2; AltName: Full=UBX domain-containing protein 8" . . . . . 82.09 445 98.18 98.18 1.58e-28 . . . . 11274 1 17 no SP Q96CS3 . "RecName: Full=FAS-associated factor 2; AltName: Full=Protein ETEA; AltName: Full=UBX domain-containing protein 3B; AltName: Ful" . . . . . 82.09 445 98.18 98.18 1.51e-28 . . . . 11274 1 18 no TPG DAA27671 . "TPA: FAS-associated factor 2 [Bos taurus]" . . . . . 82.09 445 98.18 98.18 1.58e-28 . . . . 11274 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'UBA-like domain' . 11274 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 . 11274 1 2 . SER . 11274 1 3 . SER . 11274 1 4 . GLY . 11274 1 5 . SER . 11274 1 6 . SER . 11274 1 7 . GLY . 11274 1 8 . ALA . 11274 1 9 . PRO . 11274 1 10 . GLU . 11274 1 11 . GLU . 11274 1 12 . ARG . 11274 1 13 . ASP . 11274 1 14 . LEU . 11274 1 15 . THR . 11274 1 16 . GLN . 11274 1 17 . GLU . 11274 1 18 . GLN . 11274 1 19 . THR . 11274 1 20 . GLU . 11274 1 21 . LYS . 11274 1 22 . LEU . 11274 1 23 . LEU . 11274 1 24 . GLN . 11274 1 25 . PHE . 11274 1 26 . GLN . 11274 1 27 . ASP . 11274 1 28 . LEU . 11274 1 29 . THR . 11274 1 30 . GLY . 11274 1 31 . ILE . 11274 1 32 . GLU . 11274 1 33 . SER . 11274 1 34 . MET . 11274 1 35 . ASP . 11274 1 36 . GLN . 11274 1 37 . CYS . 11274 1 38 . ARG . 11274 1 39 . HIS . 11274 1 40 . THR . 11274 1 41 . LEU . 11274 1 42 . GLU . 11274 1 43 . GLN . 11274 1 44 . HIS . 11274 1 45 . ASN . 11274 1 46 . TRP . 11274 1 47 . ASN . 11274 1 48 . ILE . 11274 1 49 . GLU . 11274 1 50 . ALA . 11274 1 51 . ALA . 11274 1 52 . VAL . 11274 1 53 . GLN . 11274 1 54 . ASP . 11274 1 55 . ARG . 11274 1 56 . LEU . 11274 1 57 . ASN . 11274 1 58 . GLU . 11274 1 59 . GLN . 11274 1 60 . GLU . 11274 1 61 . GLY . 11274 1 62 . SER . 11274 1 63 . GLY . 11274 1 64 . PRO . 11274 1 65 . SER . 11274 1 66 . SER . 11274 1 67 . GLY . 11274 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 11274 1 . SER 2 2 11274 1 . SER 3 3 11274 1 . GLY 4 4 11274 1 . SER 5 5 11274 1 . SER 6 6 11274 1 . GLY 7 7 11274 1 . ALA 8 8 11274 1 . PRO 9 9 11274 1 . GLU 10 10 11274 1 . GLU 11 11 11274 1 . ARG 12 12 11274 1 . ASP 13 13 11274 1 . LEU 14 14 11274 1 . THR 15 15 11274 1 . GLN 16 16 11274 1 . GLU 17 17 11274 1 . GLN 18 18 11274 1 . THR 19 19 11274 1 . GLU 20 20 11274 1 . LYS 21 21 11274 1 . LEU 22 22 11274 1 . LEU 23 23 11274 1 . GLN 24 24 11274 1 . PHE 25 25 11274 1 . GLN 26 26 11274 1 . ASP 27 27 11274 1 . LEU 28 28 11274 1 . THR 29 29 11274 1 . GLY 30 30 11274 1 . ILE 31 31 11274 1 . GLU 32 32 11274 1 . SER 33 33 11274 1 . MET 34 34 11274 1 . ASP 35 35 11274 1 . GLN 36 36 11274 1 . CYS 37 37 11274 1 . ARG 38 38 11274 1 . HIS 39 39 11274 1 . THR 40 40 11274 1 . LEU 41 41 11274 1 . GLU 42 42 11274 1 . GLN 43 43 11274 1 . HIS 44 44 11274 1 . ASN 45 45 11274 1 . TRP 46 46 11274 1 . ASN 47 47 11274 1 . ILE 48 48 11274 1 . GLU 49 49 11274 1 . ALA 50 50 11274 1 . ALA 51 51 11274 1 . VAL 52 52 11274 1 . GLN 53 53 11274 1 . ASP 54 54 11274 1 . ARG 55 55 11274 1 . LEU 56 56 11274 1 . ASN 57 57 11274 1 . GLU 58 58 11274 1 . GLN 59 59 11274 1 . GLU 60 60 11274 1 . GLY 61 61 11274 1 . SER 62 62 11274 1 . GLY 63 63 11274 1 . PRO 64 64 11274 1 . SER 65 65 11274 1 . SER 66 66 11274 1 . GLY 67 67 11274 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 11274 _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 . . . . . . . . . . . . . . . . . . . . . 11274 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 11274 _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' . . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050815-22 . . . . . . 11274 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11274 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.02mM UBA-like domain U-15N, {13C;} 20mM d-Tris-HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UBA-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.02 . . mM . . . . 11274 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11274 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11274 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11274 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11274 1 6 H2O . . . . . . solvent 90 . . % . . . . 11274 1 7 D2O . . . . . . solvent 10 . . % . . . . 11274 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 11274 _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 11274 1 pH 7.0 0.05 pH 11274 1 pressure 1 0.001 atm 11274 1 temperature 298.0 0.1 K 11274 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11274 _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 . . 11274 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11274 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11274 _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.' . . 11274 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11274 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11274 _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.' . . 11274 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11274 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11274 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11274 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11274 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11274 _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.' . . 11274 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11274 5 'structure solution' 11274 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 11274 _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 11274 _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 . . . 11274 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 11274 _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 . . . . . . . . . . . . . . . . 11274 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11274 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 11274 _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 . . . . . . . . . 11274 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11274 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11274 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 11274 _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 11274 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11274 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 . . 11274 1 2 $NMRPipe . . 11274 1 3 $NMRView . . 11274 1 4 $Kujira . . 11274 1 5 $CYANA . . 11274 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.505 0.030 . 1 . . . . 6 SER HA . 11274 1 2 . 1 1 6 6 SER HB2 H 1 3.928 0.030 . 1 . . . . 6 SER HB2 . 11274 1 3 . 1 1 6 6 SER HB3 H 1 3.928 0.030 . 1 . . . . 6 SER HB3 . 11274 1 4 . 1 1 6 6 SER C C 13 175.015 0.300 . 1 . . . . 6 SER C . 11274 1 5 . 1 1 6 6 SER CA C 13 58.639 0.300 . 1 . . . . 6 SER CA . 11274 1 6 . 1 1 6 6 SER CB C 13 64.073 0.300 . 1 . . . . 6 SER CB . 11274 1 7 . 1 1 7 7 GLY H H 1 8.413 0.030 . 1 . . . . 7 GLY H . 11274 1 8 . 1 1 7 7 GLY HA2 H 1 3.970 0.030 . 1 . . . . 7 GLY HA2 . 11274 1 9 . 1 1 7 7 GLY HA3 H 1 3.970 0.030 . 1 . . . . 7 GLY HA3 . 11274 1 10 . 1 1 7 7 GLY C C 13 173.465 0.300 . 1 . . . . 7 GLY C . 11274 1 11 . 1 1 7 7 GLY CA C 13 45.095 0.300 . 1 . . . . 7 GLY CA . 11274 1 12 . 1 1 7 7 GLY N N 15 110.929 0.300 . 1 . . . . 7 GLY N . 11274 1 13 . 1 1 8 8 ALA H H 1 8.132 0.030 . 1 . . . . 8 ALA H . 11274 1 14 . 1 1 8 8 ALA HA H 1 4.618 0.030 . 1 . . . . 8 ALA HA . 11274 1 15 . 1 1 8 8 ALA HB1 H 1 1.360 0.030 . 1 . . . . 8 ALA HB . 11274 1 16 . 1 1 8 8 ALA HB2 H 1 1.360 0.030 . 1 . . . . 8 ALA HB . 11274 1 17 . 1 1 8 8 ALA HB3 H 1 1.360 0.030 . 1 . . . . 8 ALA HB . 11274 1 18 . 1 1 8 8 ALA C C 13 175.766 0.300 . 1 . . . . 8 ALA C . 11274 1 19 . 1 1 8 8 ALA CA C 13 50.531 0.300 . 1 . . . . 8 ALA CA . 11274 1 20 . 1 1 8 8 ALA CB C 13 18.259 0.300 . 1 . . . . 8 ALA CB . 11274 1 21 . 1 1 8 8 ALA N N 15 125.056 0.300 . 1 . . . . 8 ALA N . 11274 1 22 . 1 1 9 9 PRO HA H 1 4.374 0.030 . 1 . . . . 9 PRO HA . 11274 1 23 . 1 1 9 9 PRO HB2 H 1 1.914 0.030 . 2 . . . . 9 PRO HB2 . 11274 1 24 . 1 1 9 9 PRO HB3 H 1 2.302 0.030 . 2 . . . . 9 PRO HB3 . 11274 1 25 . 1 1 9 9 PRO HD2 H 1 3.672 0.030 . 2 . . . . 9 PRO HD2 . 11274 1 26 . 1 1 9 9 PRO HD3 H 1 3.806 0.030 . 2 . . . . 9 PRO HD3 . 11274 1 27 . 1 1 9 9 PRO HG2 H 1 2.027 0.030 . 1 . . . . 9 PRO HG2 . 11274 1 28 . 1 1 9 9 PRO HG3 H 1 2.027 0.030 . 1 . . . . 9 PRO HG3 . 11274 1 29 . 1 1 9 9 PRO C C 13 177.268 0.300 . 1 . . . . 9 PRO C . 11274 1 30 . 1 1 9 9 PRO CA C 13 63.599 0.300 . 1 . . . . 9 PRO CA . 11274 1 31 . 1 1 9 9 PRO CB C 13 31.992 0.300 . 1 . . . . 9 PRO CB . 11274 1 32 . 1 1 9 9 PRO CD C 13 50.438 0.300 . 1 . . . . 9 PRO CD . 11274 1 33 . 1 1 9 9 PRO CG C 13 27.209 0.300 . 1 . . . . 9 PRO CG . 11274 1 34 . 1 1 10 10 GLU H H 1 8.655 0.030 . 1 . . . . 10 GLU H . 11274 1 35 . 1 1 10 10 GLU HA H 1 4.235 0.030 . 1 . . . . 10 GLU HA . 11274 1 36 . 1 1 10 10 GLU HB2 H 1 1.934 0.030 . 2 . . . . 10 GLU HB2 . 11274 1 37 . 1 1 10 10 GLU HB3 H 1 2.036 0.030 . 2 . . . . 10 GLU HB3 . 11274 1 38 . 1 1 10 10 GLU HG2 H 1 2.279 0.030 . 1 . . . . 10 GLU HG2 . 11274 1 39 . 1 1 10 10 GLU HG3 H 1 2.279 0.030 . 1 . . . . 10 GLU HG3 . 11274 1 40 . 1 1 10 10 GLU C C 13 176.590 0.300 . 1 . . . . 10 GLU C . 11274 1 41 . 1 1 10 10 GLU CA C 13 56.806 0.300 . 1 . . . . 10 GLU CA . 11274 1 42 . 1 1 10 10 GLU CB C 13 30.016 0.300 . 1 . . . . 10 GLU CB . 11274 1 43 . 1 1 10 10 GLU CG C 13 36.579 0.300 . 1 . . . . 10 GLU CG . 11274 1 44 . 1 1 10 10 GLU N N 15 120.409 0.300 . 1 . . . . 10 GLU N . 11274 1 45 . 1 1 11 11 GLU H H 1 8.337 0.030 . 1 . . . . 11 GLU H . 11274 1 46 . 1 1 11 11 GLU HA H 1 4.288 0.030 . 1 . . . . 11 GLU HA . 11274 1 47 . 1 1 11 11 GLU HB2 H 1 2.016 0.030 . 1 . . . . 11 GLU HB2 . 11274 1 48 . 1 1 11 11 GLU HB3 H 1 2.016 0.030 . 1 . . . . 11 GLU HB3 . 11274 1 49 . 1 1 11 11 GLU HG2 H 1 2.261 0.030 . 1 . . . . 11 GLU HG2 . 11274 1 50 . 1 1 11 11 GLU HG3 H 1 2.261 0.030 . 1 . . . . 11 GLU HG3 . 11274 1 51 . 1 1 11 11 GLU C C 13 176.420 0.300 . 1 . . . . 11 GLU C . 11274 1 52 . 1 1 11 11 GLU CA C 13 56.493 0.300 . 1 . . . . 11 GLU CA . 11274 1 53 . 1 1 11 11 GLU CB C 13 30.280 0.300 . 1 . . . . 11 GLU CB . 11274 1 54 . 1 1 11 11 GLU CG C 13 36.415 0.300 . 1 . . . . 11 GLU CG . 11274 1 55 . 1 1 11 11 GLU N N 15 121.945 0.300 . 1 . . . . 11 GLU N . 11274 1 56 . 1 1 12 12 ARG H H 1 8.289 0.030 . 1 . . . . 12 ARG H . 11274 1 57 . 1 1 12 12 ARG HA H 1 4.348 0.030 . 1 . . . . 12 ARG HA . 11274 1 58 . 1 1 12 12 ARG HB2 H 1 1.751 0.030 . 2 . . . . 12 ARG HB2 . 11274 1 59 . 1 1 12 12 ARG HB3 H 1 1.847 0.030 . 2 . . . . 12 ARG HB3 . 11274 1 60 . 1 1 12 12 ARG HD2 H 1 3.196 0.030 . 1 . . . . 12 ARG HD2 . 11274 1 61 . 1 1 12 12 ARG HD3 H 1 3.196 0.030 . 1 . . . . 12 ARG HD3 . 11274 1 62 . 1 1 12 12 ARG HG2 H 1 1.632 0.030 . 1 . . . . 12 ARG HG2 . 11274 1 63 . 1 1 12 12 ARG HG3 H 1 1.632 0.030 . 1 . . . . 12 ARG HG3 . 11274 1 64 . 1 1 12 12 ARG C C 13 175.935 0.300 . 1 . . . . 12 ARG C . 11274 1 65 . 1 1 12 12 ARG CA C 13 56.001 0.300 . 1 . . . . 12 ARG CA . 11274 1 66 . 1 1 12 12 ARG CB C 13 31.114 0.300 . 1 . . . . 12 ARG CB . 11274 1 67 . 1 1 12 12 ARG CD C 13 43.335 0.300 . 1 . . . . 12 ARG CD . 11274 1 68 . 1 1 12 12 ARG CG C 13 26.942 0.300 . 1 . . . . 12 ARG CG . 11274 1 69 . 1 1 12 12 ARG N N 15 121.912 0.300 . 1 . . . . 12 ARG N . 11274 1 70 . 1 1 13 13 ASP H H 1 8.393 0.030 . 1 . . . . 13 ASP H . 11274 1 71 . 1 1 13 13 ASP HA H 1 4.572 0.030 . 1 . . . . 13 ASP HA . 11274 1 72 . 1 1 13 13 ASP HB2 H 1 2.680 0.030 . 2 . . . . 13 ASP HB2 . 11274 1 73 . 1 1 13 13 ASP HB3 H 1 2.572 0.030 . 2 . . . . 13 ASP HB3 . 11274 1 74 . 1 1 13 13 ASP C C 13 176.202 0.300 . 1 . . . . 13 ASP C . 11274 1 75 . 1 1 13 13 ASP CA C 13 54.417 0.300 . 1 . . . . 13 ASP CA . 11274 1 76 . 1 1 13 13 ASP CB C 13 41.051 0.300 . 1 . . . . 13 ASP CB . 11274 1 77 . 1 1 13 13 ASP N N 15 121.780 0.300 . 1 . . . . 13 ASP N . 11274 1 78 . 1 1 14 14 LEU H H 1 8.168 0.030 . 1 . . . . 14 LEU H . 11274 1 79 . 1 1 14 14 LEU HA H 1 4.453 0.030 . 1 . . . . 14 LEU HA . 11274 1 80 . 1 1 14 14 LEU HB2 H 1 1.592 0.030 . 2 . . . . 14 LEU HB2 . 11274 1 81 . 1 1 14 14 LEU HB3 H 1 1.426 0.030 . 2 . . . . 14 LEU HB3 . 11274 1 82 . 1 1 14 14 LEU HD11 H 1 0.897 0.030 . 1 . . . . 14 LEU HD1 . 11274 1 83 . 1 1 14 14 LEU HD12 H 1 0.897 0.030 . 1 . . . . 14 LEU HD1 . 11274 1 84 . 1 1 14 14 LEU HD13 H 1 0.897 0.030 . 1 . . . . 14 LEU HD1 . 11274 1 85 . 1 1 14 14 LEU HD21 H 1 0.790 0.030 . 1 . . . . 14 LEU HD2 . 11274 1 86 . 1 1 14 14 LEU HD22 H 1 0.790 0.030 . 1 . . . . 14 LEU HD2 . 11274 1 87 . 1 1 14 14 LEU HD23 H 1 0.790 0.030 . 1 . . . . 14 LEU HD2 . 11274 1 88 . 1 1 14 14 LEU HG H 1 1.683 0.030 . 1 . . . . 14 LEU HG . 11274 1 89 . 1 1 14 14 LEU C C 13 178.527 0.300 . 1 . . . . 14 LEU C . 11274 1 90 . 1 1 14 14 LEU CA C 13 54.558 0.300 . 1 . . . . 14 LEU CA . 11274 1 91 . 1 1 14 14 LEU CB C 13 43.271 0.300 . 1 . . . . 14 LEU CB . 11274 1 92 . 1 1 14 14 LEU CD1 C 13 26.456 0.300 . 2 . . . . 14 LEU CD1 . 11274 1 93 . 1 1 14 14 LEU CD2 C 13 23.669 0.300 . 2 . . . . 14 LEU CD2 . 11274 1 94 . 1 1 14 14 LEU CG C 13 27.021 0.300 . 1 . . . . 14 LEU CG . 11274 1 95 . 1 1 14 14 LEU N N 15 121.542 0.300 . 1 . . . . 14 LEU N . 11274 1 96 . 1 1 15 15 THR H H 1 8.363 0.030 . 1 . . . . 15 THR H . 11274 1 97 . 1 1 15 15 THR HA H 1 4.300 0.030 . 1 . . . . 15 THR HA . 11274 1 98 . 1 1 15 15 THR HB H 1 4.619 0.030 . 1 . . . . 15 THR HB . 11274 1 99 . 1 1 15 15 THR HG21 H 1 1.165 0.030 . 1 . . . . 15 THR HG2 . 11274 1 100 . 1 1 15 15 THR HG22 H 1 1.165 0.030 . 1 . . . . 15 THR HG2 . 11274 1 101 . 1 1 15 15 THR HG23 H 1 1.165 0.030 . 1 . . . . 15 THR HG2 . 11274 1 102 . 1 1 15 15 THR C C 13 176.057 0.300 . 1 . . . . 15 THR C . 11274 1 103 . 1 1 15 15 THR CA C 13 61.103 0.300 . 1 . . . . 15 THR CA . 11274 1 104 . 1 1 15 15 THR CB C 13 70.769 0.300 . 1 . . . . 15 THR CB . 11274 1 105 . 1 1 15 15 THR CG2 C 13 21.671 0.300 . 1 . . . . 15 THR CG2 . 11274 1 106 . 1 1 15 15 THR N N 15 112.993 0.300 . 1 . . . . 15 THR N . 11274 1 107 . 1 1 16 16 GLN HA H 1 4.024 0.030 . 1 . . . . 16 GLN HA . 11274 1 108 . 1 1 16 16 GLN HB2 H 1 2.166 0.030 . 2 . . . . 16 GLN HB2 . 11274 1 109 . 1 1 16 16 GLN HB3 H 1 2.009 0.030 . 2 . . . . 16 GLN HB3 . 11274 1 110 . 1 1 16 16 GLN HE21 H 1 6.839 0.030 . 2 . . . . 16 GLN HE21 . 11274 1 111 . 1 1 16 16 GLN HE22 H 1 7.815 0.030 . 2 . . . . 16 GLN HE22 . 11274 1 112 . 1 1 16 16 GLN HG2 H 1 2.407 0.030 . 1 . . . . 16 GLN HG2 . 11274 1 113 . 1 1 16 16 GLN HG3 H 1 2.407 0.030 . 1 . . . . 16 GLN HG3 . 11274 1 114 . 1 1 16 16 GLN C C 13 178.140 0.300 . 1 . . . . 16 GLN C . 11274 1 115 . 1 1 16 16 GLN CA C 13 59.554 0.300 . 1 . . . . 16 GLN CA . 11274 1 116 . 1 1 16 16 GLN CB C 13 27.649 0.300 . 1 . . . . 16 GLN CB . 11274 1 117 . 1 1 16 16 GLN CG C 13 33.537 0.300 . 1 . . . . 16 GLN CG . 11274 1 118 . 1 1 16 16 GLN NE2 N 15 112.798 0.300 . 1 . . . . 16 GLN NE2 . 11274 1 119 . 1 1 17 17 GLU H H 1 8.483 0.030 . 1 . . . . 17 GLU H . 11274 1 120 . 1 1 17 17 GLU HA H 1 4.041 0.030 . 1 . . . . 17 GLU HA . 11274 1 121 . 1 1 17 17 GLU HB2 H 1 1.824 0.030 . 2 . . . . 17 GLU HB2 . 11274 1 122 . 1 1 17 17 GLU HB3 H 1 2.046 0.030 . 2 . . . . 17 GLU HB3 . 11274 1 123 . 1 1 17 17 GLU HG2 H 1 2.318 0.030 . 2 . . . . 17 GLU HG2 . 11274 1 124 . 1 1 17 17 GLU HG3 H 1 2.113 0.030 . 2 . . . . 17 GLU HG3 . 11274 1 125 . 1 1 17 17 GLU C C 13 179.206 0.300 . 1 . . . . 17 GLU C . 11274 1 126 . 1 1 17 17 GLU CA C 13 59.483 0.300 . 1 . . . . 17 GLU CA . 11274 1 127 . 1 1 17 17 GLU CB C 13 29.577 0.300 . 1 . . . . 17 GLU CB . 11274 1 128 . 1 1 17 17 GLU CG C 13 36.643 0.300 . 1 . . . . 17 GLU CG . 11274 1 129 . 1 1 17 17 GLU N N 15 119.124 0.300 . 1 . . . . 17 GLU N . 11274 1 130 . 1 1 18 18 GLN H H 1 7.544 0.030 . 1 . . . . 18 GLN H . 11274 1 131 . 1 1 18 18 GLN HA H 1 3.512 0.030 . 1 . . . . 18 GLN HA . 11274 1 132 . 1 1 18 18 GLN HB2 H 1 0.990 0.030 . 2 . . . . 18 GLN HB2 . 11274 1 133 . 1 1 18 18 GLN HB3 H 1 1.916 0.030 . 2 . . . . 18 GLN HB3 . 11274 1 134 . 1 1 18 18 GLN HE21 H 1 6.269 0.030 . 2 . . . . 18 GLN HE21 . 11274 1 135 . 1 1 18 18 GLN HE22 H 1 5.384 0.030 . 2 . . . . 18 GLN HE22 . 11274 1 136 . 1 1 18 18 GLN HG2 H 1 1.773 0.030 . 2 . . . . 18 GLN HG2 . 11274 1 137 . 1 1 18 18 GLN HG3 H 1 0.373 0.030 . 2 . . . . 18 GLN HG3 . 11274 1 138 . 1 1 18 18 GLN C C 13 177.970 0.300 . 1 . . . . 18 GLN C . 11274 1 139 . 1 1 18 18 GLN CA C 13 59.061 0.300 . 1 . . . . 18 GLN CA . 11274 1 140 . 1 1 18 18 GLN CB C 13 28.389 0.300 . 1 . . . . 18 GLN CB . 11274 1 141 . 1 1 18 18 GLN CG C 13 33.836 0.300 . 1 . . . . 18 GLN CG . 11274 1 142 . 1 1 18 18 GLN N N 15 118.585 0.300 . 1 . . . . 18 GLN N . 11274 1 143 . 1 1 18 18 GLN NE2 N 15 107.788 0.300 . 1 . . . . 18 GLN NE2 . 11274 1 144 . 1 1 19 19 THR H H 1 8.426 0.030 . 1 . . . . 19 THR H . 11274 1 145 . 1 1 19 19 THR HA H 1 3.795 0.030 . 1 . . . . 19 THR HA . 11274 1 146 . 1 1 19 19 THR HB H 1 4.334 0.030 . 1 . . . . 19 THR HB . 11274 1 147 . 1 1 19 19 THR HG21 H 1 1.241 0.030 . 1 . . . . 19 THR HG2 . 11274 1 148 . 1 1 19 19 THR HG22 H 1 1.241 0.030 . 1 . . . . 19 THR HG2 . 11274 1 149 . 1 1 19 19 THR HG23 H 1 1.241 0.030 . 1 . . . . 19 THR HG2 . 11274 1 150 . 1 1 19 19 THR C C 13 176.105 0.300 . 1 . . . . 19 THR C . 11274 1 151 . 1 1 19 19 THR CA C 13 67.821 0.300 . 1 . . . . 19 THR CA . 11274 1 152 . 1 1 19 19 THR CB C 13 68.617 0.300 . 1 . . . . 19 THR CB . 11274 1 153 . 1 1 19 19 THR CG2 C 13 21.613 0.300 . 1 . . . . 19 THR CG2 . 11274 1 154 . 1 1 19 19 THR N N 15 116.842 0.300 . 1 . . . . 19 THR N . 11274 1 155 . 1 1 20 20 GLU H H 1 8.053 0.030 . 1 . . . . 20 GLU H . 11274 1 156 . 1 1 20 20 GLU HA H 1 4.030 0.030 . 1 . . . . 20 GLU HA . 11274 1 157 . 1 1 20 20 GLU HB2 H 1 2.203 0.030 . 2 . . . . 20 GLU HB2 . 11274 1 158 . 1 1 20 20 GLU HB3 H 1 2.096 0.030 . 2 . . . . 20 GLU HB3 . 11274 1 159 . 1 1 20 20 GLU HG2 H 1 2.282 0.030 . 2 . . . . 20 GLU HG2 . 11274 1 160 . 1 1 20 20 GLU HG3 H 1 2.496 0.030 . 2 . . . . 20 GLU HG3 . 11274 1 161 . 1 1 20 20 GLU C C 13 180.005 0.300 . 1 . . . . 20 GLU C . 11274 1 162 . 1 1 20 20 GLU CA C 13 59.905 0.300 . 1 . . . . 20 GLU CA . 11274 1 163 . 1 1 20 20 GLU CB C 13 29.294 0.300 . 1 . . . . 20 GLU CB . 11274 1 164 . 1 1 20 20 GLU CG C 13 36.616 0.300 . 1 . . . . 20 GLU CG . 11274 1 165 . 1 1 20 20 GLU N N 15 120.308 0.300 . 1 . . . . 20 GLU N . 11274 1 166 . 1 1 21 21 LYS H H 1 8.061 0.030 . 1 . . . . 21 LYS H . 11274 1 167 . 1 1 21 21 LYS HA H 1 4.223 0.030 . 1 . . . . 21 LYS HA . 11274 1 168 . 1 1 21 21 LYS HB2 H 1 1.901 0.030 . 2 . . . . 21 LYS HB2 . 11274 1 169 . 1 1 21 21 LYS HB3 H 1 2.450 0.030 . 2 . . . . 21 LYS HB3 . 11274 1 170 . 1 1 21 21 LYS HD2 H 1 2.113 0.030 . 2 . . . . 21 LYS HD2 . 11274 1 171 . 1 1 21 21 LYS HD3 H 1 1.922 0.030 . 2 . . . . 21 LYS HD3 . 11274 1 172 . 1 1 21 21 LYS HE2 H 1 3.099 0.030 . 2 . . . . 21 LYS HE2 . 11274 1 173 . 1 1 21 21 LYS HE3 H 1 3.223 0.030 . 2 . . . . 21 LYS HE3 . 11274 1 174 . 1 1 21 21 LYS HG2 H 1 1.593 0.030 . 2 . . . . 21 LYS HG2 . 11274 1 175 . 1 1 21 21 LYS HG3 H 1 2.034 0.030 . 2 . . . . 21 LYS HG3 . 11274 1 176 . 1 1 21 21 LYS C C 13 178.213 0.300 . 1 . . . . 21 LYS C . 11274 1 177 . 1 1 21 21 LYS CA C 13 60.363 0.300 . 1 . . . . 21 LYS CA . 11274 1 178 . 1 1 21 21 LYS CB C 13 34.079 0.300 . 1 . . . . 21 LYS CB . 11274 1 179 . 1 1 21 21 LYS CD C 13 30.988 0.300 . 1 . . . . 21 LYS CD . 11274 1 180 . 1 1 21 21 LYS CE C 13 42.828 0.300 . 1 . . . . 21 LYS CE . 11274 1 181 . 1 1 21 21 LYS CG C 13 27.124 0.300 . 1 . . . . 21 LYS CG . 11274 1 182 . 1 1 21 21 LYS N N 15 119.847 0.300 . 1 . . . . 21 LYS N . 11274 1 183 . 1 1 22 22 LEU H H 1 8.665 0.030 . 1 . . . . 22 LEU H . 11274 1 184 . 1 1 22 22 LEU HA H 1 3.960 0.030 . 1 . . . . 22 LEU HA . 11274 1 185 . 1 1 22 22 LEU HB2 H 1 2.034 0.030 . 1 . . . . 22 LEU HB2 . 11274 1 186 . 1 1 22 22 LEU HB3 H 1 2.034 0.030 . 1 . . . . 22 LEU HB3 . 11274 1 187 . 1 1 22 22 LEU HD11 H 1 1.040 0.030 . 1 . . . . 22 LEU HD1 . 11274 1 188 . 1 1 22 22 LEU HD12 H 1 1.040 0.030 . 1 . . . . 22 LEU HD1 . 11274 1 189 . 1 1 22 22 LEU HD13 H 1 1.040 0.030 . 1 . . . . 22 LEU HD1 . 11274 1 190 . 1 1 22 22 LEU HD21 H 1 0.942 0.030 . 1 . . . . 22 LEU HD2 . 11274 1 191 . 1 1 22 22 LEU HD22 H 1 0.942 0.030 . 1 . . . . 22 LEU HD2 . 11274 1 192 . 1 1 22 22 LEU HD23 H 1 0.942 0.030 . 1 . . . . 22 LEU HD2 . 11274 1 193 . 1 1 22 22 LEU HG H 1 1.885 0.030 . 1 . . . . 22 LEU HG . 11274 1 194 . 1 1 22 22 LEU C C 13 178.770 0.300 . 1 . . . . 22 LEU C . 11274 1 195 . 1 1 22 22 LEU CA C 13 59.378 0.300 . 1 . . . . 22 LEU CA . 11274 1 196 . 1 1 22 22 LEU CB C 13 42.284 0.300 . 1 . . . . 22 LEU CB . 11274 1 197 . 1 1 22 22 LEU CD1 C 13 26.562 0.300 . 2 . . . . 22 LEU CD1 . 11274 1 198 . 1 1 22 22 LEU CD2 C 13 25.315 0.300 . 2 . . . . 22 LEU CD2 . 11274 1 199 . 1 1 22 22 LEU CG C 13 27.600 0.300 . 1 . . . . 22 LEU CG . 11274 1 200 . 1 1 22 22 LEU N N 15 121.160 0.300 . 1 . . . . 22 LEU N . 11274 1 201 . 1 1 23 23 LEU H H 1 7.958 0.030 . 1 . . . . 23 LEU H . 11274 1 202 . 1 1 23 23 LEU HA H 1 4.144 0.030 . 1 . . . . 23 LEU HA . 11274 1 203 . 1 1 23 23 LEU HB2 H 1 1.912 0.030 . 2 . . . . 23 LEU HB2 . 11274 1 204 . 1 1 23 23 LEU HB3 H 1 1.642 0.030 . 2 . . . . 23 LEU HB3 . 11274 1 205 . 1 1 23 23 LEU HD11 H 1 0.868 0.030 . 1 . . . . 23 LEU HD1 . 11274 1 206 . 1 1 23 23 LEU HD12 H 1 0.868 0.030 . 1 . . . . 23 LEU HD1 . 11274 1 207 . 1 1 23 23 LEU HD13 H 1 0.868 0.030 . 1 . . . . 23 LEU HD1 . 11274 1 208 . 1 1 23 23 LEU HD21 H 1 0.919 0.030 . 1 . . . . 23 LEU HD2 . 11274 1 209 . 1 1 23 23 LEU HD22 H 1 0.919 0.030 . 1 . . . . 23 LEU HD2 . 11274 1 210 . 1 1 23 23 LEU HD23 H 1 0.919 0.030 . 1 . . . . 23 LEU HD2 . 11274 1 211 . 1 1 23 23 LEU HG H 1 1.919 0.030 . 1 . . . . 23 LEU HG . 11274 1 212 . 1 1 23 23 LEU C C 13 180.223 0.300 . 1 . . . . 23 LEU C . 11274 1 213 . 1 1 23 23 LEU CA C 13 58.146 0.300 . 1 . . . . 23 LEU CA . 11274 1 214 . 1 1 23 23 LEU CB C 13 41.462 0.300 . 1 . . . . 23 LEU CB . 11274 1 215 . 1 1 23 23 LEU CD1 C 13 25.151 0.300 . 2 . . . . 23 LEU CD1 . 11274 1 216 . 1 1 23 23 LEU CD2 C 13 22.869 0.300 . 2 . . . . 23 LEU CD2 . 11274 1 217 . 1 1 23 23 LEU CG C 13 27.161 0.300 . 1 . . . . 23 LEU CG . 11274 1 218 . 1 1 23 23 LEU N N 15 118.653 0.300 . 1 . . . . 23 LEU N . 11274 1 219 . 1 1 24 24 GLN H H 1 8.149 0.030 . 1 . . . . 24 GLN H . 11274 1 220 . 1 1 24 24 GLN HA H 1 4.189 0.030 . 1 . . . . 24 GLN HA . 11274 1 221 . 1 1 24 24 GLN HB2 H 1 2.300 0.030 . 2 . . . . 24 GLN HB2 . 11274 1 222 . 1 1 24 24 GLN HB3 H 1 2.187 0.030 . 2 . . . . 24 GLN HB3 . 11274 1 223 . 1 1 24 24 GLN HE21 H 1 6.788 0.030 . 2 . . . . 24 GLN HE21 . 11274 1 224 . 1 1 24 24 GLN HE22 H 1 7.322 0.030 . 2 . . . . 24 GLN HE22 . 11274 1 225 . 1 1 24 24 GLN HG2 H 1 2.639 0.030 . 2 . . . . 24 GLN HG2 . 11274 1 226 . 1 1 24 24 GLN HG3 H 1 2.359 0.030 . 2 . . . . 24 GLN HG3 . 11274 1 227 . 1 1 24 24 GLN C C 13 178.649 0.300 . 1 . . . . 24 GLN C . 11274 1 228 . 1 1 24 24 GLN CA C 13 59.096 0.300 . 1 . . . . 24 GLN CA . 11274 1 229 . 1 1 24 24 GLN CB C 13 28.698 0.300 . 1 . . . . 24 GLN CB . 11274 1 230 . 1 1 24 24 GLN CG C 13 33.866 0.300 . 1 . . . . 24 GLN CG . 11274 1 231 . 1 1 24 24 GLN N N 15 120.086 0.300 . 1 . . . . 24 GLN N . 11274 1 232 . 1 1 24 24 GLN NE2 N 15 109.935 0.300 . 1 . . . . 24 GLN NE2 . 11274 1 233 . 1 1 25 25 PHE H H 1 9.063 0.030 . 1 . . . . 25 PHE H . 11274 1 234 . 1 1 25 25 PHE HA H 1 4.037 0.030 . 1 . . . . 25 PHE HA . 11274 1 235 . 1 1 25 25 PHE HB2 H 1 3.181 0.030 . 2 . . . . 25 PHE HB2 . 11274 1 236 . 1 1 25 25 PHE HB3 H 1 3.306 0.030 . 2 . . . . 25 PHE HB3 . 11274 1 237 . 1 1 25 25 PHE HD1 H 1 7.027 0.030 . 1 . . . . 25 PHE HD1 . 11274 1 238 . 1 1 25 25 PHE HD2 H 1 7.027 0.030 . 1 . . . . 25 PHE HD2 . 11274 1 239 . 1 1 25 25 PHE HE1 H 1 7.115 0.030 . 1 . . . . 25 PHE HE1 . 11274 1 240 . 1 1 25 25 PHE HE2 H 1 7.115 0.030 . 1 . . . . 25 PHE HE2 . 11274 1 241 . 1 1 25 25 PHE HZ H 1 7.117 0.030 . 1 . . . . 25 PHE HZ . 11274 1 242 . 1 1 25 25 PHE C C 13 178.697 0.300 . 1 . . . . 25 PHE C . 11274 1 243 . 1 1 25 25 PHE CA C 13 62.262 0.300 . 1 . . . . 25 PHE CA . 11274 1 244 . 1 1 25 25 PHE CB C 13 40.558 0.300 . 1 . . . . 25 PHE CB . 11274 1 245 . 1 1 25 25 PHE CD1 C 13 131.181 0.300 . 1 . . . . 25 PHE CD1 . 11274 1 246 . 1 1 25 25 PHE CD2 C 13 131.181 0.300 . 1 . . . . 25 PHE CD2 . 11274 1 247 . 1 1 25 25 PHE CE1 C 13 129.884 0.300 . 1 . . . . 25 PHE CE1 . 11274 1 248 . 1 1 25 25 PHE CE2 C 13 129.884 0.300 . 1 . . . . 25 PHE CE2 . 11274 1 249 . 1 1 25 25 PHE CZ C 13 131.977 0.300 . 1 . . . . 25 PHE CZ . 11274 1 250 . 1 1 25 25 PHE N N 15 120.437 0.300 . 1 . . . . 25 PHE N . 11274 1 251 . 1 1 26 26 GLN H H 1 8.937 0.030 . 1 . . . . 26 GLN H . 11274 1 252 . 1 1 26 26 GLN HA H 1 3.789 0.030 . 1 . . . . 26 GLN HA . 11274 1 253 . 1 1 26 26 GLN HB2 H 1 2.334 0.030 . 2 . . . . 26 GLN HB2 . 11274 1 254 . 1 1 26 26 GLN HB3 H 1 2.261 0.030 . 2 . . . . 26 GLN HB3 . 11274 1 255 . 1 1 26 26 GLN HE21 H 1 7.200 0.030 . 2 . . . . 26 GLN HE21 . 11274 1 256 . 1 1 26 26 GLN HE22 H 1 6.265 0.030 . 2 . . . . 26 GLN HE22 . 11274 1 257 . 1 1 26 26 GLN HG2 H 1 2.681 0.030 . 2 . . . . 26 GLN HG2 . 11274 1 258 . 1 1 26 26 GLN HG3 H 1 2.297 0.030 . 2 . . . . 26 GLN HG3 . 11274 1 259 . 1 1 26 26 GLN C C 13 178.285 0.300 . 1 . . . . 26 GLN C . 11274 1 260 . 1 1 26 26 GLN CA C 13 60.679 0.300 . 1 . . . . 26 GLN CA . 11274 1 261 . 1 1 26 26 GLN CB C 13 29.106 0.300 . 1 . . . . 26 GLN CB . 11274 1 262 . 1 1 26 26 GLN CG C 13 34.576 0.300 . 1 . . . . 26 GLN CG . 11274 1 263 . 1 1 26 26 GLN N N 15 122.718 0.300 . 1 . . . . 26 GLN N . 11274 1 264 . 1 1 26 26 GLN NE2 N 15 109.626 0.300 . 1 . . . . 26 GLN NE2 . 11274 1 265 . 1 1 27 27 ASP H H 1 8.103 0.030 . 1 . . . . 27 ASP H . 11274 1 266 . 1 1 27 27 ASP HA H 1 4.337 0.030 . 1 . . . . 27 ASP HA . 11274 1 267 . 1 1 27 27 ASP HB2 H 1 2.722 0.030 . 2 . . . . 27 ASP HB2 . 11274 1 268 . 1 1 27 27 ASP HB3 H 1 2.840 0.030 . 2 . . . . 27 ASP HB3 . 11274 1 269 . 1 1 27 27 ASP C C 13 178.455 0.300 . 1 . . . . 27 ASP C . 11274 1 270 . 1 1 27 27 ASP CA C 13 57.584 0.300 . 1 . . . . 27 ASP CA . 11274 1 271 . 1 1 27 27 ASP CB C 13 41.298 0.300 . 1 . . . . 27 ASP CB . 11274 1 272 . 1 1 27 27 ASP N N 15 120.468 0.300 . 1 . . . . 27 ASP N . 11274 1 273 . 1 1 28 28 LEU H H 1 7.932 0.030 . 1 . . . . 28 LEU H . 11274 1 274 . 1 1 28 28 LEU HA H 1 4.105 0.030 . 1 . . . . 28 LEU HA . 11274 1 275 . 1 1 28 28 LEU HB2 H 1 1.383 0.030 . 2 . . . . 28 LEU HB2 . 11274 1 276 . 1 1 28 28 LEU HB3 H 1 1.735 0.030 . 2 . . . . 28 LEU HB3 . 11274 1 277 . 1 1 28 28 LEU HD11 H 1 0.875 0.030 . 1 . . . . 28 LEU HD1 . 11274 1 278 . 1 1 28 28 LEU HD12 H 1 0.875 0.030 . 1 . . . . 28 LEU HD1 . 11274 1 279 . 1 1 28 28 LEU HD13 H 1 0.875 0.030 . 1 . . . . 28 LEU HD1 . 11274 1 280 . 1 1 28 28 LEU HD21 H 1 0.880 0.030 . 1 . . . . 28 LEU HD2 . 11274 1 281 . 1 1 28 28 LEU HD22 H 1 0.880 0.030 . 1 . . . . 28 LEU HD2 . 11274 1 282 . 1 1 28 28 LEU HD23 H 1 0.880 0.030 . 1 . . . . 28 LEU HD2 . 11274 1 283 . 1 1 28 28 LEU HG H 1 1.834 0.030 . 1 . . . . 28 LEU HG . 11274 1 284 . 1 1 28 28 LEU C C 13 179.133 0.300 . 1 . . . . 28 LEU C . 11274 1 285 . 1 1 28 28 LEU CA C 13 57.232 0.300 . 1 . . . . 28 LEU CA . 11274 1 286 . 1 1 28 28 LEU CB C 13 43.682 0.300 . 1 . . . . 28 LEU CB . 11274 1 287 . 1 1 28 28 LEU CD1 C 13 25.808 0.300 . 2 . . . . 28 LEU CD1 . 11274 1 288 . 1 1 28 28 LEU CD2 C 13 23.175 0.300 . 2 . . . . 28 LEU CD2 . 11274 1 289 . 1 1 28 28 LEU CG C 13 26.915 0.300 . 1 . . . . 28 LEU CG . 11274 1 290 . 1 1 28 28 LEU N N 15 116.877 0.300 . 1 . . . . 28 LEU N . 11274 1 291 . 1 1 29 29 THR H H 1 7.544 0.030 . 1 . . . . 29 THR H . 11274 1 292 . 1 1 29 29 THR HA H 1 4.172 0.030 . 1 . . . . 29 THR HA . 11274 1 293 . 1 1 29 29 THR HB H 1 3.758 0.030 . 1 . . . . 29 THR HB . 11274 1 294 . 1 1 29 29 THR HG21 H 1 0.487 0.030 . 1 . . . . 29 THR HG2 . 11274 1 295 . 1 1 29 29 THR HG22 H 1 0.487 0.030 . 1 . . . . 29 THR HG2 . 11274 1 296 . 1 1 29 29 THR HG23 H 1 0.487 0.030 . 1 . . . . 29 THR HG2 . 11274 1 297 . 1 1 29 29 THR C C 13 176.493 0.300 . 1 . . . . 29 THR C . 11274 1 298 . 1 1 29 29 THR CA C 13 62.649 0.300 . 1 . . . . 29 THR CA . 11274 1 299 . 1 1 29 29 THR CB C 13 71.447 0.300 . 1 . . . . 29 THR CB . 11274 1 300 . 1 1 29 29 THR CG2 C 13 20.960 0.300 . 1 . . . . 29 THR CG2 . 11274 1 301 . 1 1 29 29 THR N N 15 105.379 0.300 . 1 . . . . 29 THR N . 11274 1 302 . 1 1 30 30 GLY H H 1 8.454 0.030 . 1 . . . . 30 GLY H . 11274 1 303 . 1 1 30 30 GLY HA2 H 1 3.788 0.030 . 2 . . . . 30 GLY HA2 . 11274 1 304 . 1 1 30 30 GLY HA3 H 1 4.002 0.030 . 2 . . . . 30 GLY HA3 . 11274 1 305 . 1 1 30 30 GLY C C 13 174.458 0.300 . 1 . . . . 30 GLY C . 11274 1 306 . 1 1 30 30 GLY CA C 13 46.207 0.300 . 1 . . . . 30 GLY CA . 11274 1 307 . 1 1 30 30 GLY N N 15 112.396 0.300 . 1 . . . . 30 GLY N . 11274 1 308 . 1 1 31 31 ILE H H 1 7.194 0.030 . 1 . . . . 31 ILE H . 11274 1 309 . 1 1 31 31 ILE HA H 1 3.737 0.030 . 1 . . . . 31 ILE HA . 11274 1 310 . 1 1 31 31 ILE HB H 1 1.636 0.030 . 1 . . . . 31 ILE HB . 11274 1 311 . 1 1 31 31 ILE HD11 H 1 0.895 0.030 . 1 . . . . 31 ILE HD1 . 11274 1 312 . 1 1 31 31 ILE HD12 H 1 0.895 0.030 . 1 . . . . 31 ILE HD1 . 11274 1 313 . 1 1 31 31 ILE HD13 H 1 0.895 0.030 . 1 . . . . 31 ILE HD1 . 11274 1 314 . 1 1 31 31 ILE HG12 H 1 0.970 0.030 . 2 . . . . 31 ILE HG12 . 11274 1 315 . 1 1 31 31 ILE HG13 H 1 1.321 0.030 . 2 . . . . 31 ILE HG13 . 11274 1 316 . 1 1 31 31 ILE HG21 H 1 0.972 0.030 . 1 . . . . 31 ILE HG2 . 11274 1 317 . 1 1 31 31 ILE HG22 H 1 0.972 0.030 . 1 . . . . 31 ILE HG2 . 11274 1 318 . 1 1 31 31 ILE HG23 H 1 0.972 0.030 . 1 . . . . 31 ILE HG2 . 11274 1 319 . 1 1 31 31 ILE C C 13 176.250 0.300 . 1 . . . . 31 ILE C . 11274 1 320 . 1 1 31 31 ILE CA C 13 62.601 0.300 . 1 . . . . 31 ILE CA . 11274 1 321 . 1 1 31 31 ILE CB C 13 38.420 0.300 . 1 . . . . 31 ILE CB . 11274 1 322 . 1 1 31 31 ILE CD1 C 13 13.064 0.300 . 1 . . . . 31 ILE CD1 . 11274 1 323 . 1 1 31 31 ILE CG1 C 13 28.632 0.300 . 1 . . . . 31 ILE CG1 . 11274 1 324 . 1 1 31 31 ILE CG2 C 13 18.404 0.300 . 1 . . . . 31 ILE CG2 . 11274 1 325 . 1 1 31 31 ILE N N 15 121.693 0.300 . 1 . . . . 31 ILE N . 11274 1 326 . 1 1 32 32 GLU H H 1 8.412 0.030 . 1 . . . . 32 GLU H . 11274 1 327 . 1 1 32 32 GLU HA H 1 3.919 0.030 . 1 . . . . 32 GLU HA . 11274 1 328 . 1 1 32 32 GLU HB2 H 1 1.953 0.030 . 2 . . . . 32 GLU HB2 . 11274 1 329 . 1 1 32 32 GLU HB3 H 1 2.027 0.030 . 2 . . . . 32 GLU HB3 . 11274 1 330 . 1 1 32 32 GLU HG2 H 1 2.209 0.030 . 2 . . . . 32 GLU HG2 . 11274 1 331 . 1 1 32 32 GLU HG3 H 1 2.345 0.030 . 2 . . . . 32 GLU HG3 . 11274 1 332 . 1 1 32 32 GLU C C 13 177.026 0.300 . 1 . . . . 32 GLU C . 11274 1 333 . 1 1 32 32 GLU CA C 13 58.780 0.300 . 1 . . . . 32 GLU CA . 11274 1 334 . 1 1 32 32 GLU CB C 13 30.609 0.300 . 1 . . . . 32 GLU CB . 11274 1 335 . 1 1 32 32 GLU CG C 13 37.043 0.300 . 1 . . . . 32 GLU CG . 11274 1 336 . 1 1 32 32 GLU N N 15 127.205 0.300 . 1 . . . . 32 GLU N . 11274 1 337 . 1 1 33 33 SER H H 1 7.556 0.030 . 1 . . . . 33 SER H . 11274 1 338 . 1 1 33 33 SER HA H 1 4.592 0.030 . 1 . . . . 33 SER HA . 11274 1 339 . 1 1 33 33 SER HB2 H 1 4.074 0.030 . 2 . . . . 33 SER HB2 . 11274 1 340 . 1 1 33 33 SER HB3 H 1 3.834 0.030 . 2 . . . . 33 SER HB3 . 11274 1 341 . 1 1 33 33 SER C C 13 176.250 0.300 . 1 . . . . 33 SER C . 11274 1 342 . 1 1 33 33 SER CA C 13 56.659 0.300 . 1 . . . . 33 SER CA . 11274 1 343 . 1 1 33 33 SER CB C 13 63.207 0.300 . 1 . . . . 33 SER CB . 11274 1 344 . 1 1 33 33 SER N N 15 111.324 0.300 . 1 . . . . 33 SER N . 11274 1 345 . 1 1 34 34 MET HA H 1 4.181 0.030 . 1 . . . . 34 MET HA . 11274 1 346 . 1 1 34 34 MET HB2 H 1 2.246 0.030 . 2 . . . . 34 MET HB2 . 11274 1 347 . 1 1 34 34 MET HB3 H 1 2.093 0.030 . 2 . . . . 34 MET HB3 . 11274 1 348 . 1 1 34 34 MET HE1 H 1 2.105 0.030 . 1 . . . . 34 MET HE . 11274 1 349 . 1 1 34 34 MET HE2 H 1 2.105 0.030 . 1 . . . . 34 MET HE . 11274 1 350 . 1 1 34 34 MET HE3 H 1 2.105 0.030 . 1 . . . . 34 MET HE . 11274 1 351 . 1 1 34 34 MET HG2 H 1 2.632 0.030 . 2 . . . . 34 MET HG2 . 11274 1 352 . 1 1 34 34 MET HG3 H 1 2.748 0.030 . 2 . . . . 34 MET HG3 . 11274 1 353 . 1 1 34 34 MET C C 13 178.552 0.300 . 1 . . . . 34 MET C . 11274 1 354 . 1 1 34 34 MET CA C 13 58.885 0.300 . 1 . . . . 34 MET CA . 11274 1 355 . 1 1 34 34 MET CB C 13 32.089 0.300 . 1 . . . . 34 MET CB . 11274 1 356 . 1 1 34 34 MET CE C 13 17.299 0.300 . 1 . . . . 34 MET CE . 11274 1 357 . 1 1 34 34 MET CG C 13 32.730 0.300 . 1 . . . . 34 MET CG . 11274 1 358 . 1 1 35 35 ASP H H 1 8.320 0.030 . 1 . . . . 35 ASP H . 11274 1 359 . 1 1 35 35 ASP HA H 1 4.320 0.030 . 1 . . . . 35 ASP HA . 11274 1 360 . 1 1 35 35 ASP HB2 H 1 2.572 0.030 . 2 . . . . 35 ASP HB2 . 11274 1 361 . 1 1 35 35 ASP HB3 H 1 2.485 0.030 . 2 . . . . 35 ASP HB3 . 11274 1 362 . 1 1 35 35 ASP C C 13 178.431 0.300 . 1 . . . . 35 ASP C . 11274 1 363 . 1 1 35 35 ASP CA C 13 57.548 0.300 . 1 . . . . 35 ASP CA . 11274 1 364 . 1 1 35 35 ASP CB C 13 40.618 0.300 . 1 . . . . 35 ASP CB . 11274 1 365 . 1 1 35 35 ASP N N 15 119.482 0.300 . 1 . . . . 35 ASP N . 11274 1 366 . 1 1 36 36 GLN H H 1 7.876 0.030 . 1 . . . . 36 GLN H . 11274 1 367 . 1 1 36 36 GLN HA H 1 4.137 0.030 . 1 . . . . 36 GLN HA . 11274 1 368 . 1 1 36 36 GLN HB2 H 1 2.162 0.030 . 1 . . . . 36 GLN HB2 . 11274 1 369 . 1 1 36 36 GLN HB3 H 1 2.162 0.030 . 1 . . . . 36 GLN HB3 . 11274 1 370 . 1 1 36 36 GLN HE21 H 1 6.970 0.030 . 2 . . . . 36 GLN HE21 . 11274 1 371 . 1 1 36 36 GLN HE22 H 1 7.655 0.030 . 2 . . . . 36 GLN HE22 . 11274 1 372 . 1 1 36 36 GLN HG2 H 1 2.409 0.030 . 2 . . . . 36 GLN HG2 . 11274 1 373 . 1 1 36 36 GLN HG3 H 1 2.532 0.030 . 2 . . . . 36 GLN HG3 . 11274 1 374 . 1 1 36 36 GLN C C 13 179.690 0.300 . 1 . . . . 36 GLN C . 11274 1 375 . 1 1 36 36 GLN CA C 13 58.780 0.300 . 1 . . . . 36 GLN CA . 11274 1 376 . 1 1 36 36 GLN CB C 13 28.479 0.300 . 1 . . . . 36 GLN CB . 11274 1 377 . 1 1 36 36 GLN CG C 13 33.701 0.300 . 1 . . . . 36 GLN CG . 11274 1 378 . 1 1 36 36 GLN N N 15 120.582 0.300 . 1 . . . . 36 GLN N . 11274 1 379 . 1 1 36 36 GLN NE2 N 15 112.140 0.300 . 1 . . . . 36 GLN NE2 . 11274 1 380 . 1 1 37 37 CYS H H 1 7.935 0.030 . 1 . . . . 37 CYS H . 11274 1 381 . 1 1 37 37 CYS HA H 1 3.968 0.030 . 1 . . . . 37 CYS HA . 11274 1 382 . 1 1 37 37 CYS HB2 H 1 2.544 0.030 . 2 . . . . 37 CYS HB2 . 11274 1 383 . 1 1 37 37 CYS HB3 H 1 3.408 0.030 . 2 . . . . 37 CYS HB3 . 11274 1 384 . 1 1 37 37 CYS C C 13 175.427 0.300 . 1 . . . . 37 CYS C . 11274 1 385 . 1 1 37 37 CYS CA C 13 64.338 0.300 . 1 . . . . 37 CYS CA . 11274 1 386 . 1 1 37 37 CYS CB C 13 27.351 0.300 . 1 . . . . 37 CYS CB . 11274 1 387 . 1 1 37 37 CYS N N 15 118.302 0.300 . 1 . . . . 37 CYS N . 11274 1 388 . 1 1 38 38 ARG H H 1 8.427 0.030 . 1 . . . . 38 ARG H . 11274 1 389 . 1 1 38 38 ARG HA H 1 3.533 0.030 . 1 . . . . 38 ARG HA . 11274 1 390 . 1 1 38 38 ARG HB2 H 1 1.893 0.030 . 2 . . . . 38 ARG HB2 . 11274 1 391 . 1 1 38 38 ARG HB3 H 1 2.007 0.030 . 2 . . . . 38 ARG HB3 . 11274 1 392 . 1 1 38 38 ARG HD2 H 1 3.255 0.030 . 1 . . . . 38 ARG HD2 . 11274 1 393 . 1 1 38 38 ARG HD3 H 1 3.255 0.030 . 1 . . . . 38 ARG HD3 . 11274 1 394 . 1 1 38 38 ARG HE H 1 7.772 0.030 . 1 . . . . 38 ARG HE . 11274 1 395 . 1 1 38 38 ARG HG2 H 1 1.705 0.030 . 2 . . . . 38 ARG HG2 . 11274 1 396 . 1 1 38 38 ARG HG3 H 1 1.655 0.030 . 2 . . . . 38 ARG HG3 . 11274 1 397 . 1 1 38 38 ARG C C 13 176.953 0.300 . 1 . . . . 38 ARG C . 11274 1 398 . 1 1 38 38 ARG CA C 13 60.152 0.300 . 1 . . . . 38 ARG CA . 11274 1 399 . 1 1 38 38 ARG CB C 13 29.796 0.300 . 1 . . . . 38 ARG CB . 11274 1 400 . 1 1 38 38 ARG CD C 13 43.884 0.300 . 1 . . . . 38 ARG CD . 11274 1 401 . 1 1 38 38 ARG CG C 13 27.820 0.300 . 1 . . . . 38 ARG CG . 11274 1 402 . 1 1 38 38 ARG N N 15 119.334 0.300 . 1 . . . . 38 ARG N . 11274 1 403 . 1 1 38 38 ARG NE N 15 84.408 0.300 . 1 . . . . 38 ARG NE . 11274 1 404 . 1 1 39 39 HIS H H 1 8.163 0.030 . 1 . . . . 39 HIS H . 11274 1 405 . 1 1 39 39 HIS HA H 1 4.293 0.030 . 1 . . . . 39 HIS HA . 11274 1 406 . 1 1 39 39 HIS HB2 H 1 3.187 0.030 . 1 . . . . 39 HIS HB2 . 11274 1 407 . 1 1 39 39 HIS HB3 H 1 3.187 0.030 . 1 . . . . 39 HIS HB3 . 11274 1 408 . 1 1 39 39 HIS HD2 H 1 7.069 0.030 . 1 . . . . 39 HIS HD2 . 11274 1 409 . 1 1 39 39 HIS C C 13 177.801 0.300 . 1 . . . . 39 HIS C . 11274 1 410 . 1 1 39 39 HIS CA C 13 59.589 0.300 . 1 . . . . 39 HIS CA . 11274 1 411 . 1 1 39 39 HIS CB C 13 29.577 0.300 . 1 . . . . 39 HIS CB . 11274 1 412 . 1 1 39 39 HIS CD2 C 13 119.989 0.300 . 1 . . . . 39 HIS CD2 . 11274 1 413 . 1 1 39 39 HIS N N 15 117.153 0.300 . 1 . . . . 39 HIS N . 11274 1 414 . 1 1 40 40 THR H H 1 7.937 0.030 . 1 . . . . 40 THR H . 11274 1 415 . 1 1 40 40 THR HA H 1 3.935 0.030 . 1 . . . . 40 THR HA . 11274 1 416 . 1 1 40 40 THR HB H 1 3.947 0.030 . 1 . . . . 40 THR HB . 11274 1 417 . 1 1 40 40 THR HG21 H 1 1.229 0.030 . 1 . . . . 40 THR HG2 . 11274 1 418 . 1 1 40 40 THR HG22 H 1 1.229 0.030 . 1 . . . . 40 THR HG2 . 11274 1 419 . 1 1 40 40 THR HG23 H 1 1.229 0.030 . 1 . . . . 40 THR HG2 . 11274 1 420 . 1 1 40 40 THR C C 13 176.638 0.300 . 1 . . . . 40 THR C . 11274 1 421 . 1 1 40 40 THR CA C 13 66.660 0.300 . 1 . . . . 40 THR CA . 11274 1 422 . 1 1 40 40 THR CB C 13 68.685 0.300 . 1 . . . . 40 THR CB . 11274 1 423 . 1 1 40 40 THR CG2 C 13 22.702 0.300 . 1 . . . . 40 THR CG2 . 11274 1 424 . 1 1 40 40 THR N N 15 114.872 0.300 . 1 . . . . 40 THR N . 11274 1 425 . 1 1 41 41 LEU H H 1 7.653 0.030 . 1 . . . . 41 LEU H . 11274 1 426 . 1 1 41 41 LEU HA H 1 3.202 0.030 . 1 . . . . 41 LEU HA . 11274 1 427 . 1 1 41 41 LEU HB2 H 1 -0.268 0.030 . 2 . . . . 41 LEU HB2 . 11274 1 428 . 1 1 41 41 LEU HB3 H 1 0.711 0.030 . 2 . . . . 41 LEU HB3 . 11274 1 429 . 1 1 41 41 LEU HD11 H 1 0.520 0.030 . 1 . . . . 41 LEU HD1 . 11274 1 430 . 1 1 41 41 LEU HD12 H 1 0.520 0.030 . 1 . . . . 41 LEU HD1 . 11274 1 431 . 1 1 41 41 LEU HD13 H 1 0.520 0.030 . 1 . . . . 41 LEU HD1 . 11274 1 432 . 1 1 41 41 LEU HD21 H 1 0.146 0.030 . 1 . . . . 41 LEU HD2 . 11274 1 433 . 1 1 41 41 LEU HD22 H 1 0.146 0.030 . 1 . . . . 41 LEU HD2 . 11274 1 434 . 1 1 41 41 LEU HD23 H 1 0.146 0.030 . 1 . . . . 41 LEU HD2 . 11274 1 435 . 1 1 41 41 LEU HG H 1 0.635 0.030 . 1 . . . . 41 LEU HG . 11274 1 436 . 1 1 41 41 LEU C C 13 179.642 0.300 . 1 . . . . 41 LEU C . 11274 1 437 . 1 1 41 41 LEU CA C 13 58.441 0.300 . 1 . . . . 41 LEU CA . 11274 1 438 . 1 1 41 41 LEU CB C 13 39.736 0.300 . 1 . . . . 41 LEU CB . 11274 1 439 . 1 1 41 41 LEU CD1 C 13 25.808 0.300 . 2 . . . . 41 LEU CD1 . 11274 1 440 . 1 1 41 41 LEU CD2 C 13 22.989 0.300 . 2 . . . . 41 LEU CD2 . 11274 1 441 . 1 1 41 41 LEU CG C 13 27.396 0.300 . 1 . . . . 41 LEU CG . 11274 1 442 . 1 1 41 41 LEU N N 15 122.368 0.300 . 1 . . . . 41 LEU N . 11274 1 443 . 1 1 42 42 GLU H H 1 8.300 0.030 . 1 . . . . 42 GLU H . 11274 1 444 . 1 1 42 42 GLU HA H 1 3.294 0.030 . 1 . . . . 42 GLU HA . 11274 1 445 . 1 1 42 42 GLU HB2 H 1 1.894 0.030 . 2 . . . . 42 GLU HB2 . 11274 1 446 . 1 1 42 42 GLU HB3 H 1 2.078 0.030 . 2 . . . . 42 GLU HB3 . 11274 1 447 . 1 1 42 42 GLU HG2 H 1 2.358 0.030 . 1 . . . . 42 GLU HG2 . 11274 1 448 . 1 1 42 42 GLU HG3 H 1 2.358 0.030 . 1 . . . . 42 GLU HG3 . 11274 1 449 . 1 1 42 42 GLU C C 13 180.659 0.300 . 1 . . . . 42 GLU C . 11274 1 450 . 1 1 42 42 GLU CA C 13 59.905 0.300 . 1 . . . . 42 GLU CA . 11274 1 451 . 1 1 42 42 GLU CB C 13 29.047 0.300 . 1 . . . . 42 GLU CB . 11274 1 452 . 1 1 42 42 GLU CG C 13 37.072 0.300 . 1 . . . . 42 GLU CG . 11274 1 453 . 1 1 42 42 GLU N N 15 121.030 0.300 . 1 . . . . 42 GLU N . 11274 1 454 . 1 1 43 43 GLN H H 1 7.657 0.030 . 1 . . . . 43 GLN H . 11274 1 455 . 1 1 43 43 GLN HA H 1 3.868 0.030 . 1 . . . . 43 GLN HA . 11274 1 456 . 1 1 43 43 GLN HB2 H 1 1.964 0.030 . 2 . . . . 43 GLN HB2 . 11274 1 457 . 1 1 43 43 GLN HB3 H 1 1.868 0.030 . 2 . . . . 43 GLN HB3 . 11274 1 458 . 1 1 43 43 GLN HE21 H 1 7.138 0.030 . 2 . . . . 43 GLN HE21 . 11274 1 459 . 1 1 43 43 GLN HE22 H 1 6.772 0.030 . 2 . . . . 43 GLN HE22 . 11274 1 460 . 1 1 43 43 GLN HG2 H 1 2.016 0.030 . 2 . . . . 43 GLN HG2 . 11274 1 461 . 1 1 43 43 GLN HG3 H 1 2.097 0.030 . 2 . . . . 43 GLN HG3 . 11274 1 462 . 1 1 43 43 GLN C C 13 176.541 0.300 . 1 . . . . 43 GLN C . 11274 1 463 . 1 1 43 43 GLN CA C 13 57.935 0.300 . 1 . . . . 43 GLN CA . 11274 1 464 . 1 1 43 43 GLN CB C 13 28.259 0.300 . 1 . . . . 43 GLN CB . 11274 1 465 . 1 1 43 43 GLN CG C 13 33.619 0.300 . 1 . . . . 43 GLN CG . 11274 1 466 . 1 1 43 43 GLN N N 15 119.064 0.300 . 1 . . . . 43 GLN N . 11274 1 467 . 1 1 43 43 GLN NE2 N 15 112.229 0.300 . 1 . . . . 43 GLN NE2 . 11274 1 468 . 1 1 44 44 HIS H H 1 7.029 0.030 . 1 . . . . 44 HIS H . 11274 1 469 . 1 1 44 44 HIS HA H 1 4.541 0.030 . 1 . . . . 44 HIS HA . 11274 1 470 . 1 1 44 44 HIS HB2 H 1 2.387 0.030 . 2 . . . . 44 HIS HB2 . 11274 1 471 . 1 1 44 44 HIS HB3 H 1 3.631 0.030 . 2 . . . . 44 HIS HB3 . 11274 1 472 . 1 1 44 44 HIS HD2 H 1 7.199 0.030 . 1 . . . . 44 HIS HD2 . 11274 1 473 . 1 1 44 44 HIS C C 13 175.160 0.300 . 1 . . . . 44 HIS C . 11274 1 474 . 1 1 44 44 HIS CA C 13 56.247 0.300 . 1 . . . . 44 HIS CA . 11274 1 475 . 1 1 44 44 HIS CB C 13 29.952 0.300 . 1 . . . . 44 HIS CB . 11274 1 476 . 1 1 44 44 HIS CD2 C 13 120.215 0.300 . 1 . . . . 44 HIS CD2 . 11274 1 477 . 1 1 44 44 HIS N N 15 115.031 0.300 . 1 . . . . 44 HIS N . 11274 1 478 . 1 1 45 45 ASN H H 1 8.019 0.030 . 1 . . . . 45 ASN H . 11274 1 479 . 1 1 45 45 ASN HA H 1 4.493 0.030 . 1 . . . . 45 ASN HA . 11274 1 480 . 1 1 45 45 ASN HB2 H 1 2.737 0.030 . 2 . . . . 45 ASN HB2 . 11274 1 481 . 1 1 45 45 ASN HB3 H 1 3.156 0.030 . 2 . . . . 45 ASN HB3 . 11274 1 482 . 1 1 45 45 ASN HD21 H 1 7.615 0.030 . 2 . . . . 45 ASN HD21 . 11274 1 483 . 1 1 45 45 ASN HD22 H 1 6.881 0.030 . 2 . . . . 45 ASN HD22 . 11274 1 484 . 1 1 45 45 ASN C C 13 174.119 0.300 . 1 . . . . 45 ASN C . 11274 1 485 . 1 1 45 45 ASN CA C 13 55.086 0.300 . 1 . . . . 45 ASN CA . 11274 1 486 . 1 1 45 45 ASN CB C 13 37.105 0.300 . 1 . . . . 45 ASN CB . 11274 1 487 . 1 1 45 45 ASN N N 15 118.608 0.300 . 1 . . . . 45 ASN N . 11274 1 488 . 1 1 45 45 ASN ND2 N 15 112.461 0.300 . 1 . . . . 45 ASN ND2 . 11274 1 489 . 1 1 46 46 TRP H H 1 8.680 0.030 . 1 . . . . 46 TRP H . 11274 1 490 . 1 1 46 46 TRP HA H 1 3.103 0.030 . 1 . . . . 46 TRP HA . 11274 1 491 . 1 1 46 46 TRP HB2 H 1 3.324 0.030 . 2 . . . . 46 TRP HB2 . 11274 1 492 . 1 1 46 46 TRP HB3 H 1 3.475 0.030 . 2 . . . . 46 TRP HB3 . 11274 1 493 . 1 1 46 46 TRP HD1 H 1 7.183 0.030 . 1 . . . . 46 TRP HD1 . 11274 1 494 . 1 1 46 46 TRP HE1 H 1 10.423 0.030 . 1 . . . . 46 TRP HE1 . 11274 1 495 . 1 1 46 46 TRP HE3 H 1 7.293 0.030 . 1 . . . . 46 TRP HE3 . 11274 1 496 . 1 1 46 46 TRP HH2 H 1 6.881 0.030 . 1 . . . . 46 TRP HH2 . 11274 1 497 . 1 1 46 46 TRP HZ2 H 1 7.446 0.030 . 1 . . . . 46 TRP HZ2 . 11274 1 498 . 1 1 46 46 TRP HZ3 H 1 7.162 0.030 . 1 . . . . 46 TRP HZ3 . 11274 1 499 . 1 1 46 46 TRP C C 13 172.859 0.300 . 1 . . . . 46 TRP C . 11274 1 500 . 1 1 46 46 TRP CA C 13 59.624 0.300 . 1 . . . . 46 TRP CA . 11274 1 501 . 1 1 46 46 TRP CB C 13 24.616 0.300 . 1 . . . . 46 TRP CB . 11274 1 502 . 1 1 46 46 TRP CD1 C 13 127.462 0.300 . 1 . . . . 46 TRP CD1 . 11274 1 503 . 1 1 46 46 TRP CE3 C 13 118.834 0.300 . 1 . . . . 46 TRP CE3 . 11274 1 504 . 1 1 46 46 TRP CH2 C 13 123.399 0.300 . 1 . . . . 46 TRP CH2 . 11274 1 505 . 1 1 46 46 TRP CZ2 C 13 115.498 0.300 . 1 . . . . 46 TRP CZ2 . 11274 1 506 . 1 1 46 46 TRP CZ3 C 13 123.347 0.300 . 1 . . . . 46 TRP CZ3 . 11274 1 507 . 1 1 46 46 TRP N N 15 108.707 0.300 . 1 . . . . 46 TRP N . 11274 1 508 . 1 1 46 46 TRP NE1 N 15 130.516 0.300 . 1 . . . . 46 TRP NE1 . 11274 1 509 . 1 1 47 47 ASN H H 1 7.413 0.030 . 1 . . . . 47 ASN H . 11274 1 510 . 1 1 47 47 ASN HA H 1 4.927 0.030 . 1 . . . . 47 ASN HA . 11274 1 511 . 1 1 47 47 ASN HB2 H 1 2.816 0.030 . 2 . . . . 47 ASN HB2 . 11274 1 512 . 1 1 47 47 ASN HB3 H 1 3.325 0.030 . 2 . . . . 47 ASN HB3 . 11274 1 513 . 1 1 47 47 ASN HD21 H 1 7.673 0.030 . 2 . . . . 47 ASN HD21 . 11274 1 514 . 1 1 47 47 ASN HD22 H 1 7.131 0.030 . 2 . . . . 47 ASN HD22 . 11274 1 515 . 1 1 47 47 ASN C C 13 174.918 0.300 . 1 . . . . 47 ASN C . 11274 1 516 . 1 1 47 47 ASN CA C 13 52.307 0.300 . 1 . . . . 47 ASN CA . 11274 1 517 . 1 1 47 47 ASN CB C 13 38.799 0.300 . 1 . . . . 47 ASN CB . 11274 1 518 . 1 1 47 47 ASN N N 15 118.494 0.300 . 1 . . . . 47 ASN N . 11274 1 519 . 1 1 47 47 ASN ND2 N 15 112.505 0.300 . 1 . . . . 47 ASN ND2 . 11274 1 520 . 1 1 48 48 ILE H H 1 8.500 0.030 . 1 . . . . 48 ILE H . 11274 1 521 . 1 1 48 48 ILE HA H 1 3.501 0.030 . 1 . . . . 48 ILE HA . 11274 1 522 . 1 1 48 48 ILE HB H 1 1.838 0.030 . 1 . . . . 48 ILE HB . 11274 1 523 . 1 1 48 48 ILE HD11 H 1 1.091 0.030 . 1 . . . . 48 ILE HD1 . 11274 1 524 . 1 1 48 48 ILE HD12 H 1 1.091 0.030 . 1 . . . . 48 ILE HD1 . 11274 1 525 . 1 1 48 48 ILE HD13 H 1 1.091 0.030 . 1 . . . . 48 ILE HD1 . 11274 1 526 . 1 1 48 48 ILE HG12 H 1 1.751 0.030 . 2 . . . . 48 ILE HG12 . 11274 1 527 . 1 1 48 48 ILE HG13 H 1 1.261 0.030 . 2 . . . . 48 ILE HG13 . 11274 1 528 . 1 1 48 48 ILE HG21 H 1 1.014 0.030 . 1 . . . . 48 ILE HG2 . 11274 1 529 . 1 1 48 48 ILE HG22 H 1 1.014 0.030 . 1 . . . . 48 ILE HG2 . 11274 1 530 . 1 1 48 48 ILE HG23 H 1 1.014 0.030 . 1 . . . . 48 ILE HG2 . 11274 1 531 . 1 1 48 48 ILE C C 13 176.250 0.300 . 1 . . . . 48 ILE C . 11274 1 532 . 1 1 48 48 ILE CA C 13 65.147 0.300 . 1 . . . . 48 ILE CA . 11274 1 533 . 1 1 48 48 ILE CB C 13 38.360 0.300 . 1 . . . . 48 ILE CB . 11274 1 534 . 1 1 48 48 ILE CD1 C 13 14.030 0.300 . 1 . . . . 48 ILE CD1 . 11274 1 535 . 1 1 48 48 ILE CG1 C 13 29.452 0.300 . 1 . . . . 48 ILE CG1 . 11274 1 536 . 1 1 48 48 ILE CG2 C 13 17.180 0.300 . 1 . . . . 48 ILE CG2 . 11274 1 537 . 1 1 48 48 ILE N N 15 126.076 0.300 . 1 . . . . 48 ILE N . 11274 1 538 . 1 1 49 49 GLU H H 1 8.340 0.030 . 1 . . . . 49 GLU H . 11274 1 539 . 1 1 49 49 GLU HA H 1 3.904 0.030 . 1 . . . . 49 GLU HA . 11274 1 540 . 1 1 49 49 GLU HB2 H 1 2.154 0.030 . 2 . . . . 49 GLU HB2 . 11274 1 541 . 1 1 49 49 GLU HB3 H 1 2.012 0.030 . 2 . . . . 49 GLU HB3 . 11274 1 542 . 1 1 49 49 GLU HG2 H 1 2.308 0.030 . 1 . . . . 49 GLU HG2 . 11274 1 543 . 1 1 49 49 GLU HG3 H 1 2.308 0.030 . 1 . . . . 49 GLU HG3 . 11274 1 544 . 1 1 49 49 GLU C C 13 179.133 0.300 . 1 . . . . 49 GLU C . 11274 1 545 . 1 1 49 49 GLU CA C 13 60.398 0.300 . 1 . . . . 49 GLU CA . 11274 1 546 . 1 1 49 49 GLU CB C 13 28.918 0.300 . 1 . . . . 49 GLU CB . 11274 1 547 . 1 1 49 49 GLU CG C 13 37.072 0.300 . 1 . . . . 49 GLU CG . 11274 1 548 . 1 1 49 49 GLU N N 15 119.798 0.300 . 1 . . . . 49 GLU N . 11274 1 549 . 1 1 50 50 ALA H H 1 7.725 0.030 . 1 . . . . 50 ALA H . 11274 1 550 . 1 1 50 50 ALA HA H 1 4.019 0.030 . 1 . . . . 50 ALA HA . 11274 1 551 . 1 1 50 50 ALA HB1 H 1 1.466 0.030 . 1 . . . . 50 ALA HB . 11274 1 552 . 1 1 50 50 ALA HB2 H 1 1.466 0.030 . 1 . . . . 50 ALA HB . 11274 1 553 . 1 1 50 50 ALA HB3 H 1 1.466 0.030 . 1 . . . . 50 ALA HB . 11274 1 554 . 1 1 50 50 ALA C C 13 179.739 0.300 . 1 . . . . 50 ALA C . 11274 1 555 . 1 1 50 50 ALA CA C 13 54.277 0.300 . 1 . . . . 50 ALA CA . 11274 1 556 . 1 1 50 50 ALA CB C 13 18.523 0.300 . 1 . . . . 50 ALA CB . 11274 1 557 . 1 1 50 50 ALA N N 15 121.126 0.300 . 1 . . . . 50 ALA N . 11274 1 558 . 1 1 51 51 ALA H H 1 7.707 0.030 . 1 . . . . 51 ALA H . 11274 1 559 . 1 1 51 51 ALA HA H 1 2.874 0.030 . 1 . . . . 51 ALA HA . 11274 1 560 . 1 1 51 51 ALA HB1 H 1 1.006 0.030 . 1 . . . . 51 ALA HB . 11274 1 561 . 1 1 51 51 ALA HB2 H 1 1.006 0.030 . 1 . . . . 51 ALA HB . 11274 1 562 . 1 1 51 51 ALA HB3 H 1 1.006 0.030 . 1 . . . . 51 ALA HB . 11274 1 563 . 1 1 51 51 ALA C C 13 179.448 0.300 . 1 . . . . 51 ALA C . 11274 1 564 . 1 1 51 51 ALA CA C 13 54.593 0.300 . 1 . . . . 51 ALA CA . 11274 1 565 . 1 1 51 51 ALA CB C 13 19.263 0.300 . 1 . . . . 51 ALA CB . 11274 1 566 . 1 1 51 51 ALA N N 15 120.354 0.300 . 1 . . . . 51 ALA N . 11274 1 567 . 1 1 52 52 VAL H H 1 8.571 0.030 . 1 . . . . 52 VAL H . 11274 1 568 . 1 1 52 52 VAL HA H 1 3.557 0.030 . 1 . . . . 52 VAL HA . 11274 1 569 . 1 1 52 52 VAL HB H 1 2.169 0.030 . 1 . . . . 52 VAL HB . 11274 1 570 . 1 1 52 52 VAL HG11 H 1 0.872 0.030 . 1 . . . . 52 VAL HG1 . 11274 1 571 . 1 1 52 52 VAL HG12 H 1 0.872 0.030 . 1 . . . . 52 VAL HG1 . 11274 1 572 . 1 1 52 52 VAL HG13 H 1 0.872 0.030 . 1 . . . . 52 VAL HG1 . 11274 1 573 . 1 1 52 52 VAL HG21 H 1 1.062 0.030 . 1 . . . . 52 VAL HG2 . 11274 1 574 . 1 1 52 52 VAL HG22 H 1 1.062 0.030 . 1 . . . . 52 VAL HG2 . 11274 1 575 . 1 1 52 52 VAL HG23 H 1 1.062 0.030 . 1 . . . . 52 VAL HG2 . 11274 1 576 . 1 1 52 52 VAL C C 13 177.873 0.300 . 1 . . . . 52 VAL C . 11274 1 577 . 1 1 52 52 VAL CA C 13 66.238 0.300 . 1 . . . . 52 VAL CA . 11274 1 578 . 1 1 52 52 VAL CB C 13 31.925 0.300 . 1 . . . . 52 VAL CB . 11274 1 579 . 1 1 52 52 VAL CG1 C 13 21.411 0.300 . 2 . . . . 52 VAL CG1 . 11274 1 580 . 1 1 52 52 VAL CG2 C 13 23.567 0.300 . 2 . . . . 52 VAL CG2 . 11274 1 581 . 1 1 52 52 VAL N N 15 117.641 0.300 . 1 . . . . 52 VAL N . 11274 1 582 . 1 1 53 53 GLN H H 1 7.787 0.030 . 1 . . . . 53 GLN H . 11274 1 583 . 1 1 53 53 GLN HA H 1 3.966 0.030 . 1 . . . . 53 GLN HA . 11274 1 584 . 1 1 53 53 GLN HB2 H 1 2.090 0.030 . 1 . . . . 53 GLN HB2 . 11274 1 585 . 1 1 53 53 GLN HB3 H 1 2.090 0.030 . 1 . . . . 53 GLN HB3 . 11274 1 586 . 1 1 53 53 GLN HE21 H 1 7.513 0.030 . 2 . . . . 53 GLN HE21 . 11274 1 587 . 1 1 53 53 GLN HE22 H 1 6.864 0.030 . 2 . . . . 53 GLN HE22 . 11274 1 588 . 1 1 53 53 GLN HG2 H 1 2.436 0.030 . 1 . . . . 53 GLN HG2 . 11274 1 589 . 1 1 53 53 GLN HG3 H 1 2.436 0.030 . 1 . . . . 53 GLN HG3 . 11274 1 590 . 1 1 53 53 GLN C C 13 177.510 0.300 . 1 . . . . 53 GLN C . 11274 1 591 . 1 1 53 53 GLN CA C 13 58.217 0.300 . 1 . . . . 53 GLN CA . 11274 1 592 . 1 1 53 53 GLN CB C 13 28.389 0.300 . 1 . . . . 53 GLN CB . 11274 1 593 . 1 1 53 53 GLN CG C 13 33.866 0.300 . 1 . . . . 53 GLN CG . 11274 1 594 . 1 1 53 53 GLN N N 15 118.633 0.300 . 1 . . . . 53 GLN N . 11274 1 595 . 1 1 53 53 GLN NE2 N 15 112.883 0.300 . 1 . . . . 53 GLN NE2 . 11274 1 596 . 1 1 54 54 ASP H H 1 7.647 0.030 . 1 . . . . 54 ASP H . 11274 1 597 . 1 1 54 54 ASP HA H 1 4.511 0.030 . 1 . . . . 54 ASP HA . 11274 1 598 . 1 1 54 54 ASP HB2 H 1 2.619 0.030 . 2 . . . . 54 ASP HB2 . 11274 1 599 . 1 1 54 54 ASP HB3 H 1 2.768 0.030 . 2 . . . . 54 ASP HB3 . 11274 1 600 . 1 1 54 54 ASP C C 13 177.486 0.300 . 1 . . . . 54 ASP C . 11274 1 601 . 1 1 54 54 ASP CA C 13 56.176 0.300 . 1 . . . . 54 ASP CA . 11274 1 602 . 1 1 54 54 ASP CB C 13 41.380 0.300 . 1 . . . . 54 ASP CB . 11274 1 603 . 1 1 54 54 ASP N N 15 118.453 0.300 . 1 . . . . 54 ASP N . 11274 1 604 . 1 1 55 55 ARG H H 1 7.638 0.030 . 1 . . . . 55 ARG H . 11274 1 605 . 1 1 55 55 ARG HA H 1 4.273 0.030 . 1 . . . . 55 ARG HA . 11274 1 606 . 1 1 55 55 ARG HB2 H 1 1.939 0.030 . 2 . . . . 55 ARG HB2 . 11274 1 607 . 1 1 55 55 ARG HB3 H 1 2.014 0.030 . 2 . . . . 55 ARG HB3 . 11274 1 608 . 1 1 55 55 ARG HD2 H 1 3.315 0.030 . 2 . . . . 55 ARG HD2 . 11274 1 609 . 1 1 55 55 ARG HD3 H 1 3.177 0.030 . 2 . . . . 55 ARG HD3 . 11274 1 610 . 1 1 55 55 ARG HG2 H 1 1.725 0.030 . 1 . . . . 55 ARG HG2 . 11274 1 611 . 1 1 55 55 ARG HG3 H 1 1.725 0.030 . 1 . . . . 55 ARG HG3 . 11274 1 612 . 1 1 55 55 ARG C C 13 177.873 0.300 . 1 . . . . 55 ARG C . 11274 1 613 . 1 1 55 55 ARG CA C 13 57.373 0.300 . 1 . . . . 55 ARG CA . 11274 1 614 . 1 1 55 55 ARG CB C 13 30.034 0.300 . 1 . . . . 55 ARG CB . 11274 1 615 . 1 1 55 55 ARG CD C 13 43.138 0.300 . 1 . . . . 55 ARG CD . 11274 1 616 . 1 1 55 55 ARG CG C 13 27.042 0.300 . 1 . . . . 55 ARG CG . 11274 1 617 . 1 1 55 55 ARG N N 15 118.649 0.300 . 1 . . . . 55 ARG N . 11274 1 618 . 1 1 56 56 LEU H H 1 8.172 0.030 . 1 . . . . 56 LEU H . 11274 1 619 . 1 1 56 56 LEU HA H 1 4.203 0.030 . 1 . . . . 56 LEU HA . 11274 1 620 . 1 1 56 56 LEU HB2 H 1 1.561 0.030 . 2 . . . . 56 LEU HB2 . 11274 1 621 . 1 1 56 56 LEU HB3 H 1 1.768 0.030 . 2 . . . . 56 LEU HB3 . 11274 1 622 . 1 1 56 56 LEU HD11 H 1 0.868 0.030 . 1 . . . . 56 LEU HD1 . 11274 1 623 . 1 1 56 56 LEU HD12 H 1 0.868 0.030 . 1 . . . . 56 LEU HD1 . 11274 1 624 . 1 1 56 56 LEU HD13 H 1 0.868 0.030 . 1 . . . . 56 LEU HD1 . 11274 1 625 . 1 1 56 56 LEU HD21 H 1 0.841 0.030 . 1 . . . . 56 LEU HD2 . 11274 1 626 . 1 1 56 56 LEU HD22 H 1 0.841 0.030 . 1 . . . . 56 LEU HD2 . 11274 1 627 . 1 1 56 56 LEU HD23 H 1 0.841 0.030 . 1 . . . . 56 LEU HD2 . 11274 1 628 . 1 1 56 56 LEU HG H 1 1.703 0.030 . 1 . . . . 56 LEU HG . 11274 1 629 . 1 1 56 56 LEU C C 13 178.406 0.300 . 1 . . . . 56 LEU C . 11274 1 630 . 1 1 56 56 LEU CA C 13 56.594 0.300 . 1 . . . . 56 LEU CA . 11274 1 631 . 1 1 56 56 LEU CB C 13 41.626 0.300 . 1 . . . . 56 LEU CB . 11274 1 632 . 1 1 56 56 LEU CD1 C 13 25.185 0.300 . 2 . . . . 56 LEU CD1 . 11274 1 633 . 1 1 56 56 LEU CD2 C 13 22.987 0.300 . 2 . . . . 56 LEU CD2 . 11274 1 634 . 1 1 56 56 LEU CG C 13 26.959 0.300 . 1 . . . . 56 LEU CG . 11274 1 635 . 1 1 56 56 LEU N N 15 120.356 0.300 . 1 . . . . 56 LEU N . 11274 1 636 . 1 1 57 57 ASN H H 1 8.143 0.030 . 1 . . . . 57 ASN H . 11274 1 637 . 1 1 57 57 ASN HA H 1 4.629 0.030 . 1 . . . . 57 ASN HA . 11274 1 638 . 1 1 57 57 ASN HB2 H 1 2.889 0.030 . 1 . . . . 57 ASN HB2 . 11274 1 639 . 1 1 57 57 ASN HB3 H 1 2.889 0.030 . 1 . . . . 57 ASN HB3 . 11274 1 640 . 1 1 57 57 ASN HD21 H 1 7.719 0.030 . 2 . . . . 57 ASN HD21 . 11274 1 641 . 1 1 57 57 ASN HD22 H 1 6.923 0.030 . 2 . . . . 57 ASN HD22 . 11274 1 642 . 1 1 57 57 ASN C C 13 176.226 0.300 . 1 . . . . 57 ASN C . 11274 1 643 . 1 1 57 57 ASN CA C 13 54.277 0.300 . 1 . . . . 57 ASN CA . 11274 1 644 . 1 1 57 57 ASN CB C 13 38.580 0.300 . 1 . . . . 57 ASN CB . 11274 1 645 . 1 1 57 57 ASN N N 15 118.003 0.300 . 1 . . . . 57 ASN N . 11274 1 646 . 1 1 57 57 ASN ND2 N 15 112.715 0.300 . 1 . . . . 57 ASN ND2 . 11274 1 647 . 1 1 58 58 GLU H H 1 8.111 0.030 . 1 . . . . 58 GLU H . 11274 1 648 . 1 1 58 58 GLU HA H 1 4.224 0.030 . 1 . . . . 58 GLU HA . 11274 1 649 . 1 1 58 58 GLU HB2 H 1 2.125 0.030 . 2 . . . . 58 GLU HB2 . 11274 1 650 . 1 1 58 58 GLU HB3 H 1 2.052 0.030 . 2 . . . . 58 GLU HB3 . 11274 1 651 . 1 1 58 58 GLU HG2 H 1 2.305 0.030 . 1 . . . . 58 GLU HG2 . 11274 1 652 . 1 1 58 58 GLU HG3 H 1 2.305 0.030 . 1 . . . . 58 GLU HG3 . 11274 1 653 . 1 1 58 58 GLU C C 13 177.219 0.300 . 1 . . . . 58 GLU C . 11274 1 654 . 1 1 58 58 GLU CA C 13 57.443 0.300 . 1 . . . . 58 GLU CA . 11274 1 655 . 1 1 58 58 GLU CB C 13 30.280 0.300 . 1 . . . . 58 GLU CB . 11274 1 656 . 1 1 58 58 GLU CG C 13 36.332 0.300 . 1 . . . . 58 GLU CG . 11274 1 657 . 1 1 58 58 GLU N N 15 120.788 0.300 . 1 . . . . 58 GLU N . 11274 1 658 . 1 1 59 59 GLN H H 1 8.219 0.030 . 1 . . . . 59 GLN H . 11274 1 659 . 1 1 59 59 GLN HA H 1 4.289 0.030 . 1 . . . . 59 GLN HA . 11274 1 660 . 1 1 59 59 GLN HB2 H 1 2.056 0.030 . 2 . . . . 59 GLN HB2 . 11274 1 661 . 1 1 59 59 GLN HB3 H 1 2.147 0.030 . 2 . . . . 59 GLN HB3 . 11274 1 662 . 1 1 59 59 GLN HE21 H 1 7.545 0.030 . 2 . . . . 59 GLN HE21 . 11274 1 663 . 1 1 59 59 GLN HE22 H 1 6.824 0.030 . 2 . . . . 59 GLN HE22 . 11274 1 664 . 1 1 59 59 GLN HG2 H 1 2.405 0.030 . 1 . . . . 59 GLN HG2 . 11274 1 665 . 1 1 59 59 GLN HG3 H 1 2.405 0.030 . 1 . . . . 59 GLN HG3 . 11274 1 666 . 1 1 59 59 GLN C C 13 176.541 0.300 . 1 . . . . 59 GLN C . 11274 1 667 . 1 1 59 59 GLN CA C 13 56.387 0.300 . 1 . . . . 59 GLN CA . 11274 1 668 . 1 1 59 59 GLN CB C 13 29.577 0.300 . 1 . . . . 59 GLN CB . 11274 1 669 . 1 1 59 59 GLN CG C 13 33.948 0.300 . 1 . . . . 59 GLN CG . 11274 1 670 . 1 1 59 59 GLN N N 15 119.819 0.300 . 1 . . . . 59 GLN N . 11274 1 671 . 1 1 59 59 GLN NE2 N 15 112.342 0.300 . 1 . . . . 59 GLN NE2 . 11274 1 672 . 1 1 60 60 GLU H H 1 8.346 0.030 . 1 . . . . 60 GLU H . 11274 1 673 . 1 1 60 60 GLU HA H 1 4.266 0.030 . 1 . . . . 60 GLU HA . 11274 1 674 . 1 1 60 60 GLU HB2 H 1 2.059 0.030 . 1 . . . . 60 GLU HB2 . 11274 1 675 . 1 1 60 60 GLU HB3 H 1 2.059 0.030 . 1 . . . . 60 GLU HB3 . 11274 1 676 . 1 1 60 60 GLU HG2 H 1 2.305 0.030 . 1 . . . . 60 GLU HG2 . 11274 1 677 . 1 1 60 60 GLU HG3 H 1 2.305 0.030 . 1 . . . . 60 GLU HG3 . 11274 1 678 . 1 1 60 60 GLU C C 13 177.316 0.300 . 1 . . . . 60 GLU C . 11274 1 679 . 1 1 60 60 GLU CA C 13 57.197 0.300 . 1 . . . . 60 GLU CA . 11274 1 680 . 1 1 60 60 GLU CB C 13 30.280 0.300 . 1 . . . . 60 GLU CB . 11274 1 681 . 1 1 60 60 GLU CG C 13 36.250 0.300 . 1 . . . . 60 GLU CG . 11274 1 682 . 1 1 60 60 GLU N N 15 121.672 0.300 . 1 . . . . 60 GLU N . 11274 1 683 . 1 1 61 61 GLY H H 1 8.368 0.030 . 1 . . . . 61 GLY H . 11274 1 684 . 1 1 61 61 GLY HA2 H 1 4.018 0.030 . 1 . . . . 61 GLY HA2 . 11274 1 685 . 1 1 61 61 GLY HA3 H 1 4.018 0.030 . 1 . . . . 61 GLY HA3 . 11274 1 686 . 1 1 61 61 GLY C C 13 174.385 0.300 . 1 . . . . 61 GLY C . 11274 1 687 . 1 1 61 61 GLY CA C 13 45.552 0.300 . 1 . . . . 61 GLY CA . 11274 1 688 . 1 1 61 61 GLY N N 15 109.925 0.300 . 1 . . . . 61 GLY N . 11274 1 689 . 1 1 62 62 SER H H 1 8.215 0.030 . 1 . . . . 62 SER H . 11274 1 690 . 1 1 62 62 SER C C 13 174.797 0.300 . 1 . . . . 62 SER C . 11274 1 691 . 1 1 62 62 SER CA C 13 58.498 0.300 . 1 . . . . 62 SER CA . 11274 1 692 . 1 1 62 62 SER CB C 13 64.109 0.300 . 1 . . . . 62 SER CB . 11274 1 693 . 1 1 62 62 SER N N 15 115.498 0.300 . 1 . . . . 62 SER N . 11274 1 694 . 1 1 64 64 PRO HA H 1 4.486 0.030 . 1 . . . . 64 PRO HA . 11274 1 695 . 1 1 64 64 PRO HB2 H 1 1.987 0.030 . 2 . . . . 64 PRO HB2 . 11274 1 696 . 1 1 64 64 PRO HB3 H 1 2.313 0.030 . 2 . . . . 64 PRO HB3 . 11274 1 697 . 1 1 64 64 PRO HD2 H 1 3.639 0.030 . 1 . . . . 64 PRO HD2 . 11274 1 698 . 1 1 64 64 PRO HD3 H 1 3.639 0.030 . 1 . . . . 64 PRO HD3 . 11274 1 699 . 1 1 64 64 PRO HG2 H 1 2.058 0.030 . 1 . . . . 64 PRO HG2 . 11274 1 700 . 1 1 64 64 PRO HG3 H 1 2.058 0.030 . 1 . . . . 64 PRO HG3 . 11274 1 701 . 1 1 64 64 PRO C C 13 177.462 0.300 . 1 . . . . 64 PRO C . 11274 1 702 . 1 1 64 64 PRO CA C 13 63.248 0.300 . 1 . . . . 64 PRO CA . 11274 1 703 . 1 1 64 64 PRO CB C 13 32.171 0.300 . 1 . . . . 64 PRO CB . 11274 1 704 . 1 1 64 64 PRO CD C 13 49.899 0.300 . 1 . . . . 64 PRO CD . 11274 1 705 . 1 1 64 64 PRO CG C 13 27.042 0.300 . 1 . . . . 64 PRO CG . 11274 1 706 . 1 1 65 65 SER H H 1 8.553 0.030 . 1 . . . . 65 SER H . 11274 1 707 . 1 1 65 65 SER HA H 1 4.522 0.030 . 1 . . . . 65 SER HA . 11274 1 708 . 1 1 65 65 SER HB2 H 1 3.926 0.030 . 1 . . . . 65 SER HB2 . 11274 1 709 . 1 1 65 65 SER HB3 H 1 3.926 0.030 . 1 . . . . 65 SER HB3 . 11274 1 710 . 1 1 65 65 SER C C 13 174.748 0.300 . 1 . . . . 65 SER C . 11274 1 711 . 1 1 65 65 SER CA C 13 58.393 0.300 . 1 . . . . 65 SER CA . 11274 1 712 . 1 1 65 65 SER CB C 13 63.990 0.300 . 1 . . . . 65 SER CB . 11274 1 713 . 1 1 65 65 SER N N 15 116.526 0.300 . 1 . . . . 65 SER N . 11274 1 714 . 1 1 66 66 SER H H 1 8.363 0.030 . 1 . . . . 66 SER H . 11274 1 715 . 1 1 66 66 SER C C 13 174.070 0.300 . 1 . . . . 66 SER C . 11274 1 716 . 1 1 66 66 SER CA C 13 58.393 0.300 . 1 . . . . 66 SER CA . 11274 1 717 . 1 1 66 66 SER CB C 13 63.990 0.300 . 1 . . . . 66 SER CB . 11274 1 718 . 1 1 66 66 SER N N 15 117.999 0.300 . 1 . . . . 66 SER N . 11274 1 stop_ save_