data_25564 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25564 _Entry.Title ; Structure of the Third Type III Domain from Human Fibronectin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-04 _Entry.Accession_date 2015-04-04 _Entry.Last_release_date 2015-11-09 _Entry.Original_release_date 2015-11-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _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 Jessica Stine . M. . 25564 2 Yizhi Sun . . . 25564 3 Geoffrey Armstrong . . . 25564 4 Klara Briknarova . . . 25564 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 1 'not applicable' 'not applicable' . 25564 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'FN3 domain' . 25564 fibronectin . 25564 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25564 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 439 25564 '15N chemical shifts' 99 25564 '1H chemical shifts' 681 25564 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 2 . . 2016-01-20 2015-04-04 update BMRB 'update entry citation' 25564 1 . . 2015-11-09 2015-04-04 original author 'original release' 25564 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25562 'PR domain from PRDM16' 25564 PDB 2N1K 'BMRB Entry Tracking System' 25564 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25564 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26517579 _Citation.Full_citation . _Citation.Title ; Structure and Unfolding of the Third Type III Domain from Human Fibronectin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 54 _Citation.Journal_issue 44 _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 6724 _Citation.Page_last 6733 _Citation.Year 2015 _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 Jessica Stine . M. . 25564 1 2 Yizhi Sun . . . 25564 1 3 Geoffrey Armstrong . . . 25564 1 4 Klara Briknarova . . . 25564 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25564 _Assembly.ID 1 _Assembly.Name 'Third Type III Domain from Human Fibronectin' _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 entity 1 $entity A . yes native no no . . . 25564 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25564 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GSHMGTTTAPDAPPDPTVDQ VDDTSIVVRWSRPQAPITGY RIVYSPSVEGSSTELNLPET ANSVTLSDLQPGVQYNITIY AVEENQESTPVVIQQETTGT PRSDGT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The recombinant protein contains six extraneous amino acids at the N-terminus, residues 808-905 of human fibronectin, and two extraneous amino acids at the C-terminus (gshmgtTTAP...PRSDgt). ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'the third FN3 domain from human fibronectin (3FN3)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11337.317 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP P02751 . fibronectin . . . . . . . . . . . . . . 25564 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 . 25564 1 2 . SER . 25564 1 3 . HIS . 25564 1 4 . MET . 25564 1 5 . GLY . 25564 1 6 . THR . 25564 1 7 . THR . 25564 1 8 . THR . 25564 1 9 . ALA . 25564 1 10 . PRO . 25564 1 11 . ASP . 25564 1 12 . ALA . 25564 1 13 . PRO . 25564 1 14 . PRO . 25564 1 15 . ASP . 25564 1 16 . PRO . 25564 1 17 . THR . 25564 1 18 . VAL . 25564 1 19 . ASP . 25564 1 20 . GLN . 25564 1 21 . VAL . 25564 1 22 . ASP . 25564 1 23 . ASP . 25564 1 24 . THR . 25564 1 25 . SER . 25564 1 26 . ILE . 25564 1 27 . VAL . 25564 1 28 . VAL . 25564 1 29 . ARG . 25564 1 30 . TRP . 25564 1 31 . SER . 25564 1 32 . ARG . 25564 1 33 . PRO . 25564 1 34 . GLN . 25564 1 35 . ALA . 25564 1 36 . PRO . 25564 1 37 . ILE . 25564 1 38 . THR . 25564 1 39 . GLY . 25564 1 40 . TYR . 25564 1 41 . ARG . 25564 1 42 . ILE . 25564 1 43 . VAL . 25564 1 44 . TYR . 25564 1 45 . SER . 25564 1 46 . PRO . 25564 1 47 . SER . 25564 1 48 . VAL . 25564 1 49 . GLU . 25564 1 50 . GLY . 25564 1 51 . SER . 25564 1 52 . SER . 25564 1 53 . THR . 25564 1 54 . GLU . 25564 1 55 . LEU . 25564 1 56 . ASN . 25564 1 57 . LEU . 25564 1 58 . PRO . 25564 1 59 . GLU . 25564 1 60 . THR . 25564 1 61 . ALA . 25564 1 62 . ASN . 25564 1 63 . SER . 25564 1 64 . VAL . 25564 1 65 . THR . 25564 1 66 . LEU . 25564 1 67 . SER . 25564 1 68 . ASP . 25564 1 69 . LEU . 25564 1 70 . GLN . 25564 1 71 . PRO . 25564 1 72 . GLY . 25564 1 73 . VAL . 25564 1 74 . GLN . 25564 1 75 . TYR . 25564 1 76 . ASN . 25564 1 77 . ILE . 25564 1 78 . THR . 25564 1 79 . ILE . 25564 1 80 . TYR . 25564 1 81 . ALA . 25564 1 82 . VAL . 25564 1 83 . GLU . 25564 1 84 . GLU . 25564 1 85 . ASN . 25564 1 86 . GLN . 25564 1 87 . GLU . 25564 1 88 . SER . 25564 1 89 . THR . 25564 1 90 . PRO . 25564 1 91 . VAL . 25564 1 92 . VAL . 25564 1 93 . ILE . 25564 1 94 . GLN . 25564 1 95 . GLN . 25564 1 96 . GLU . 25564 1 97 . THR . 25564 1 98 . THR . 25564 1 99 . GLY . 25564 1 100 . THR . 25564 1 101 . PRO . 25564 1 102 . ARG . 25564 1 103 . SER . 25564 1 104 . ASP . 25564 1 105 . GLY . 25564 1 106 . THR . 25564 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 25564 1 . SER 2 2 25564 1 . HIS 3 3 25564 1 . MET 4 4 25564 1 . GLY 5 5 25564 1 . THR 6 6 25564 1 . THR 7 7 25564 1 . THR 8 8 25564 1 . ALA 9 9 25564 1 . PRO 10 10 25564 1 . ASP 11 11 25564 1 . ALA 12 12 25564 1 . PRO 13 13 25564 1 . PRO 14 14 25564 1 . ASP 15 15 25564 1 . PRO 16 16 25564 1 . THR 17 17 25564 1 . VAL 18 18 25564 1 . ASP 19 19 25564 1 . GLN 20 20 25564 1 . VAL 21 21 25564 1 . ASP 22 22 25564 1 . ASP 23 23 25564 1 . THR 24 24 25564 1 . SER 25 25 25564 1 . ILE 26 26 25564 1 . VAL 27 27 25564 1 . VAL 28 28 25564 1 . ARG 29 29 25564 1 . TRP 30 30 25564 1 . SER 31 31 25564 1 . ARG 32 32 25564 1 . PRO 33 33 25564 1 . GLN 34 34 25564 1 . ALA 35 35 25564 1 . PRO 36 36 25564 1 . ILE 37 37 25564 1 . THR 38 38 25564 1 . GLY 39 39 25564 1 . TYR 40 40 25564 1 . ARG 41 41 25564 1 . ILE 42 42 25564 1 . VAL 43 43 25564 1 . TYR 44 44 25564 1 . SER 45 45 25564 1 . PRO 46 46 25564 1 . SER 47 47 25564 1 . VAL 48 48 25564 1 . GLU 49 49 25564 1 . GLY 50 50 25564 1 . SER 51 51 25564 1 . SER 52 52 25564 1 . THR 53 53 25564 1 . GLU 54 54 25564 1 . LEU 55 55 25564 1 . ASN 56 56 25564 1 . LEU 57 57 25564 1 . PRO 58 58 25564 1 . GLU 59 59 25564 1 . THR 60 60 25564 1 . ALA 61 61 25564 1 . ASN 62 62 25564 1 . SER 63 63 25564 1 . VAL 64 64 25564 1 . THR 65 65 25564 1 . LEU 66 66 25564 1 . SER 67 67 25564 1 . ASP 68 68 25564 1 . LEU 69 69 25564 1 . GLN 70 70 25564 1 . PRO 71 71 25564 1 . GLY 72 72 25564 1 . VAL 73 73 25564 1 . GLN 74 74 25564 1 . TYR 75 75 25564 1 . ASN 76 76 25564 1 . ILE 77 77 25564 1 . THR 78 78 25564 1 . ILE 79 79 25564 1 . TYR 80 80 25564 1 . ALA 81 81 25564 1 . VAL 82 82 25564 1 . GLU 83 83 25564 1 . GLU 84 84 25564 1 . ASN 85 85 25564 1 . GLN 86 86 25564 1 . GLU 87 87 25564 1 . SER 88 88 25564 1 . THR 89 89 25564 1 . PRO 90 90 25564 1 . VAL 91 91 25564 1 . VAL 92 92 25564 1 . ILE 93 93 25564 1 . GLN 94 94 25564 1 . GLN 95 95 25564 1 . GLU 96 96 25564 1 . THR 97 97 25564 1 . THR 98 98 25564 1 . GLY 99 99 25564 1 . THR 100 100 25564 1 . PRO 101 101 25564 1 . ARG 102 102 25564 1 . SER 103 103 25564 1 . ASP 104 104 25564 1 . GLY 105 105 25564 1 . THR 106 106 25564 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 25564 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25564 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 25564 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-CodonPlus(DE3)-RIPL . . . . . pET15b . . . 25564 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25564 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.6 . . mM . . . . 25564 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25564 1 3 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 25564 1 4 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 25564 1 5 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 25564 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25564 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25564 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25564 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-99% 15N]' . . 1 $entity . . 0.6 . . mM . . . . 25564 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25564 2 3 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 25564 2 4 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 25564 2 5 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 25564 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25564 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25564 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25564 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity 'natural abundance' . . 1 $entity . . 0.6 . . mM . . . . 25564 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25564 3 3 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 25564 3 4 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 25564 3 5 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 25564 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25564 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25564 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25564 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity 'natural abundance' . . 1 $entity . . 0.6 . . mM . . . . 25564 4 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25564 4 3 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 25564 4 4 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 25564 4 5 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 25564 4 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25564 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 25564 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.9 . . mM . . . . 25564 5 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25564 5 3 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 25564 5 4 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 25564 5 5 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 25564 5 6 entity 'natural abundance' . . . . . . 0.9 . . mM . . . . 25564 5 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25564 5 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25564 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25564 _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' 0.17 . M 25564 1 pH 7.5 . pH 25564 1 pressure 1 . atm 25564 1 temperature 298.15 . K 25564 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25564 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Agilent . . 25564 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25564 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25564 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25564 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25564 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25564 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25564 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25564 3 stop_ save_ save_CcpNmr _Software.Sf_category software _Software.Sf_framecode CcpNmr _Software.Entry_ID 25564 _Software.ID 4 _Software.Name CcpNmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25564 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25564 4 'data analysis' 25564 4 'peak picking' 25564 4 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25564 _Software.ID 5 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25564 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25564 5 'structure solution' 25564 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25564 _Software.ID 6 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25564 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25564 6 'structure solution' 25564 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25564 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25564 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'generation of torsion angle restraints' 25564 7 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 25564 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Varian NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25564 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Varian NMR System' _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 25564 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Varian NMR System' . 600 . . . 25564 1 2 spectrometer_2 Varian 'Varian NMR System' . 800 . . . 25564 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 25564 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 11 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 14 '2D HBCB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 16 '2D 15N HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 17 '2D DQF-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 18 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 19 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 20 '2D DQF-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 21 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 22 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25564 1 23 '2D 13C/15N-filtered 13C/15N-edited NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25564 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25564 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 water protons . . . . ppm 4.755 internal indirect 0.251449530 . . . . . . . . . 25564 1 H 1 water protons . . . . ppm 4.755 internal direct 1.0 . . . . . . . . . 25564 1 N 15 water protons . . . . ppm 4.755 internal indirect 0.101329118 . . . . . . . . . 25564 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25564 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 25564 1 2 '2D 1H-13C HSQC aliphatic' . . . 25564 1 3 '2D 1H-13C HSQC aromatic' . . . 25564 1 4 '3D HNCACB' . . . 25564 1 5 '3D CBCA(CO)NH' . . . 25564 1 6 '3D C(CO)NH' . . . 25564 1 7 '3D HNCO' . . . 25564 1 8 '3D HN(CA)CO' . . . 25564 1 9 '3D H(CCO)NH' . . . 25564 1 10 '3D HCCH-TOCSY' . . . 25564 1 11 '3D CCH-TOCSY' . . . 25564 1 12 '3D 1H-13C NOESY aliphatic' . . . 25564 1 13 '3D 1H-13C NOESY aromatic' . . . 25564 1 14 '2D HBCB(CGCD)HD' . . . 25564 1 15 '3D 1H-15N NOESY' . . . 25564 1 16 '2D 15N HMQC' . . . 25564 1 17 '2D DQF-COSY' . . . 25564 1 18 '2D 1H-1H TOCSY' . . . 25564 1 19 '2D 1H-1H NOESY' . . . 25564 1 20 '2D DQF-COSY' . . . 25564 1 21 '2D 1H-1H TOCSY' . . . 25564 1 22 '2D 1H-1H NOESY' . . . 25564 1 23 '2D 13C/15N-filtered 13C/15N-edited NOESY' . . . 25564 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 1 1 GLY HA2 H 1 3.710 0.020 . 1 . . . A 1 GLY HA2 . 25564 1 2 . 1 1 1 1 GLY HA3 H 1 3.710 0.020 . 1 . . . A 1 GLY HA3 . 25564 1 3 . 1 1 1 1 GLY CA C 13 44.702 0.000 . 1 . . . A 1 GLY CA . 25564 1 4 . 1 1 3 3 HIS HA H 1 4.623 0.022 . 1 . . . A 3 HIS HA . 25564 1 5 . 1 1 3 3 HIS HB2 H 1 3.099 0.019 . 1 . . . A 3 HIS HB2 . 25564 1 6 . 1 1 3 3 HIS HB3 H 1 3.099 0.019 . 1 . . . A 3 HIS HB3 . 25564 1 7 . 1 1 3 3 HIS HD2 H 1 7.003 0.011 . 1 . . . A 3 HIS HD2 . 25564 1 8 . 1 1 3 3 HIS HE1 H 1 7.751 0.017 . 1 . . . A 3 HIS HE1 . 25564 1 9 . 1 1 3 3 HIS CA C 13 56.936 0.180 . 1 . . . A 3 HIS CA . 25564 1 10 . 1 1 3 3 HIS CB C 13 31.271 0.114 . 1 . . . A 3 HIS CB . 25564 1 11 . 1 1 3 3 HIS CD2 C 13 119.863 0.000 . 1 . . . A 3 HIS CD2 . 25564 1 12 . 1 1 3 3 HIS CE1 C 13 138.820 0.000 . 1 . . . A 3 HIS CE1 . 25564 1 13 . 1 1 3 3 HIS ND1 N 15 227.486 0.000 . 1 . . . A 3 HIS ND1 . 25564 1 14 . 1 1 3 3 HIS NE2 N 15 179.982 0.004 . 1 . . . A 3 HIS NE2 . 25564 1 15 . 1 1 4 4 MET HE1 H 1 2.088 0.016 . 1 . . . A 4 MET HE1 . 25564 1 16 . 1 1 4 4 MET HE2 H 1 2.088 0.016 . 1 . . . A 4 MET HE2 . 25564 1 17 . 1 1 4 4 MET HE3 H 1 2.088 0.016 . 1 . . . A 4 MET HE3 . 25564 1 18 . 1 1 4 4 MET CE C 13 17.051 0.009 . 1 . . . A 4 MET CE . 25564 1 19 . 1 1 7 7 THR HA H 1 4.470 0.012 . 1 . . . A 7 THR HA . 25564 1 20 . 1 1 7 7 THR HB H 1 4.259 0.028 . 1 . . . A 7 THR HB . 25564 1 21 . 1 1 7 7 THR HG21 H 1 1.189 0.019 . 1 . . . A 7 THR HG21 . 25564 1 22 . 1 1 7 7 THR HG22 H 1 1.189 0.019 . 1 . . . A 7 THR HG22 . 25564 1 23 . 1 1 7 7 THR HG23 H 1 1.189 0.019 . 1 . . . A 7 THR HG23 . 25564 1 24 . 1 1 7 7 THR CA C 13 61.923 0.042 . 1 . . . A 7 THR CA . 25564 1 25 . 1 1 7 7 THR CB C 13 70.142 0.138 . 1 . . . A 7 THR CB . 25564 1 26 . 1 1 7 7 THR CG2 C 13 22.047 0.239 . 1 . . . A 7 THR CG2 . 25564 1 27 . 1 1 8 8 THR H H 1 8.238 0.000 . 1 . . . A 8 THR H . 25564 1 28 . 1 1 8 8 THR HA H 1 4.371 0.005 . 1 . . . A 8 THR HA . 25564 1 29 . 1 1 8 8 THR HB H 1 4.198 0.014 . 1 . . . A 8 THR HB . 25564 1 30 . 1 1 8 8 THR HG21 H 1 1.196 0.007 . 1 . . . A 8 THR HG21 . 25564 1 31 . 1 1 8 8 THR HG22 H 1 1.196 0.007 . 1 . . . A 8 THR HG22 . 25564 1 32 . 1 1 8 8 THR HG23 H 1 1.196 0.007 . 1 . . . A 8 THR HG23 . 25564 1 33 . 1 1 8 8 THR C C 13 173.590 0.000 . 1 . . . A 8 THR C . 25564 1 34 . 1 1 8 8 THR CA C 13 61.606 0.087 . 1 . . . A 8 THR CA . 25564 1 35 . 1 1 8 8 THR CB C 13 70.303 0.038 . 1 . . . A 8 THR CB . 25564 1 36 . 1 1 8 8 THR CG2 C 13 21.849 0.024 . 1 . . . A 8 THR CG2 . 25564 1 37 . 1 1 8 8 THR N N 15 116.706 0.000 . 1 . . . A 8 THR N . 25564 1 38 . 1 1 9 9 ALA H H 1 8.220 0.011 . 1 . . . A 9 ALA H . 25564 1 39 . 1 1 9 9 ALA HA H 1 4.293 0.014 . 1 . . . A 9 ALA HA . 25564 1 40 . 1 1 9 9 ALA HB1 H 1 1.365 0.005 . 1 . . . A 9 ALA HB1 . 25564 1 41 . 1 1 9 9 ALA HB2 H 1 1.365 0.005 . 1 . . . A 9 ALA HB2 . 25564 1 42 . 1 1 9 9 ALA HB3 H 1 1.365 0.005 . 1 . . . A 9 ALA HB3 . 25564 1 43 . 1 1 9 9 ALA C C 13 175.005 0.000 . 1 . . . A 9 ALA C . 25564 1 44 . 1 1 9 9 ALA CA C 13 50.813 0.067 . 1 . . . A 9 ALA CA . 25564 1 45 . 1 1 9 9 ALA CB C 13 18.430 0.036 . 1 . . . A 9 ALA CB . 25564 1 46 . 1 1 9 9 ALA N N 15 127.030 0.049 . 1 . . . A 9 ALA N . 25564 1 47 . 1 1 10 10 PRO HA H 1 4.329 0.014 . 1 . . . A 10 PRO HA . 25564 1 48 . 1 1 10 10 PRO HB2 H 1 2.215 0.012 . 1 . . . A 10 PRO HB2 . 25564 1 49 . 1 1 10 10 PRO HB3 H 1 1.750 0.009 . 1 . . . A 10 PRO HB3 . 25564 1 50 . 1 1 10 10 PRO HG2 H 1 1.762 0.006 . 2 . . . A 10 PRO HG2 . 25564 1 51 . 1 1 10 10 PRO HG3 H 1 1.705 0.011 . 2 . . . A 10 PRO HG3 . 25564 1 52 . 1 1 10 10 PRO HD2 H 1 3.585 0.007 . 2 . . . A 10 PRO HD2 . 25564 1 53 . 1 1 10 10 PRO HD3 H 1 3.240 0.006 . 2 . . . A 10 PRO HD3 . 25564 1 54 . 1 1 10 10 PRO C C 13 175.138 0.000 . 1 . . . A 10 PRO C . 25564 1 55 . 1 1 10 10 PRO CA C 13 62.797 0.091 . 1 . . . A 10 PRO CA . 25564 1 56 . 1 1 10 10 PRO CB C 13 31.837 0.147 . 1 . . . A 10 PRO CB . 25564 1 57 . 1 1 10 10 PRO CG C 13 27.267 0.011 . 1 . . . A 10 PRO CG . 25564 1 58 . 1 1 10 10 PRO CD C 13 50.060 0.032 . 1 . . . A 10 PRO CD . 25564 1 59 . 1 1 11 11 ASP H H 1 9.038 0.009 . 1 . . . A 11 ASP H . 25564 1 60 . 1 1 11 11 ASP HA H 1 4.410 0.008 . 1 . . . A 11 ASP HA . 25564 1 61 . 1 1 11 11 ASP HB2 H 1 2.629 0.008 . 2 . . . A 11 ASP HB2 . 25564 1 62 . 1 1 11 11 ASP HB3 H 1 2.748 0.013 . 2 . . . A 11 ASP HB3 . 25564 1 63 . 1 1 11 11 ASP C C 13 174.009 0.000 . 1 . . . A 11 ASP C . 25564 1 64 . 1 1 11 11 ASP CA C 13 53.383 0.070 . 1 . . . A 11 ASP CA . 25564 1 65 . 1 1 11 11 ASP CB C 13 39.829 0.045 . 1 . . . A 11 ASP CB . 25564 1 66 . 1 1 11 11 ASP N N 15 116.244 0.083 . 1 . . . A 11 ASP N . 25564 1 67 . 1 1 12 12 ALA H H 1 7.944 0.008 . 1 . . . A 12 ALA H . 25564 1 68 . 1 1 12 12 ALA HA H 1 4.467 0.011 . 1 . . . A 12 ALA HA . 25564 1 69 . 1 1 12 12 ALA HB1 H 1 1.297 0.007 . 1 . . . A 12 ALA HB1 . 25564 1 70 . 1 1 12 12 ALA HB2 H 1 1.297 0.007 . 1 . . . A 12 ALA HB2 . 25564 1 71 . 1 1 12 12 ALA HB3 H 1 1.297 0.007 . 1 . . . A 12 ALA HB3 . 25564 1 72 . 1 1 12 12 ALA C C 13 175.669 0.000 . 1 . . . A 12 ALA C . 25564 1 73 . 1 1 12 12 ALA CA C 13 50.240 0.038 . 1 . . . A 12 ALA CA . 25564 1 74 . 1 1 12 12 ALA CB C 13 17.910 0.029 . 1 . . . A 12 ALA CB . 25564 1 75 . 1 1 12 12 ALA N N 15 120.012 0.054 . 1 . . . A 12 ALA N . 25564 1 76 . 1 1 13 13 PRO HA H 1 4.489 0.009 . 1 . . . A 13 PRO HA . 25564 1 77 . 1 1 13 13 PRO HB2 H 1 2.475 0.013 . 1 . . . A 13 PRO HB2 . 25564 1 78 . 1 1 13 13 PRO HB3 H 1 2.419 0.014 . 1 . . . A 13 PRO HB3 . 25564 1 79 . 1 1 13 13 PRO HG2 H 1 1.729 0.015 . 2 . . . A 13 PRO HG2 . 25564 1 80 . 1 1 13 13 PRO HG3 H 1 1.581 0.006 . 2 . . . A 13 PRO HG3 . 25564 1 81 . 1 1 13 13 PRO HD2 H 1 3.709 0.011 . 2 . . . A 13 PRO HD2 . 25564 1 82 . 1 1 13 13 PRO HD3 H 1 3.386 0.008 . 2 . . . A 13 PRO HD3 . 25564 1 83 . 1 1 13 13 PRO CA C 13 61.325 0.035 . 1 . . . A 13 PRO CA . 25564 1 84 . 1 1 13 13 PRO CB C 13 31.829 0.200 . 1 . . . A 13 PRO CB . 25564 1 85 . 1 1 13 13 PRO CG C 13 28.637 0.042 . 1 . . . A 13 PRO CG . 25564 1 86 . 1 1 13 13 PRO CD C 13 49.754 0.091 . 1 . . . A 13 PRO CD . 25564 1 87 . 1 1 14 14 PRO HA H 1 4.486 0.010 . 1 . . . A 14 PRO HA . 25564 1 88 . 1 1 14 14 PRO HB2 H 1 1.898 0.009 . 1 . . . A 14 PRO HB2 . 25564 1 89 . 1 1 14 14 PRO HB3 H 1 2.286 0.006 . 1 . . . A 14 PRO HB3 . 25564 1 90 . 1 1 14 14 PRO HG2 H 1 2.024 0.005 . 2 . . . A 14 PRO HG2 . 25564 1 91 . 1 1 14 14 PRO HG3 H 1 1.856 0.004 . 2 . . . A 14 PRO HG3 . 25564 1 92 . 1 1 14 14 PRO HD2 H 1 3.798 0.007 . 2 . . . A 14 PRO HD2 . 25564 1 93 . 1 1 14 14 PRO HD3 H 1 3.653 0.010 . 2 . . . A 14 PRO HD3 . 25564 1 94 . 1 1 14 14 PRO C C 13 175.966 0.000 . 1 . . . A 14 PRO C . 25564 1 95 . 1 1 14 14 PRO CA C 13 62.995 0.101 . 1 . . . A 14 PRO CA . 25564 1 96 . 1 1 14 14 PRO CB C 13 32.629 0.108 . 1 . . . A 14 PRO CB . 25564 1 97 . 1 1 14 14 PRO CG C 13 27.476 0.038 . 1 . . . A 14 PRO CG . 25564 1 98 . 1 1 14 14 PRO CD C 13 50.706 0.012 . 1 . . . A 14 PRO CD . 25564 1 99 . 1 1 15 15 ASP H H 1 8.470 0.009 . 1 . . . A 15 ASP H . 25564 1 100 . 1 1 15 15 ASP HA H 1 4.558 0.005 . 1 . . . A 15 ASP HA . 25564 1 101 . 1 1 15 15 ASP HB2 H 1 2.619 0.005 . 2 . . . A 15 ASP HB2 . 25564 1 102 . 1 1 15 15 ASP HB3 H 1 2.733 0.005 . 2 . . . A 15 ASP HB3 . 25564 1 103 . 1 1 15 15 ASP C C 13 173.011 0.000 . 1 . . . A 15 ASP C . 25564 1 104 . 1 1 15 15 ASP CA C 13 54.230 0.060 . 1 . . . A 15 ASP CA . 25564 1 105 . 1 1 15 15 ASP CB C 13 41.322 0.039 . 1 . . . A 15 ASP CB . 25564 1 106 . 1 1 15 15 ASP N N 15 117.405 0.048 . 1 . . . A 15 ASP N . 25564 1 107 . 1 1 16 16 PRO HA H 1 5.352 0.008 . 1 . . . A 16 PRO HA . 25564 1 108 . 1 1 16 16 PRO HB2 H 1 1.806 0.017 . 1 . . . A 16 PRO HB2 . 25564 1 109 . 1 1 16 16 PRO HB3 H 1 1.746 0.019 . 1 . . . A 16 PRO HB3 . 25564 1 110 . 1 1 16 16 PRO HG2 H 1 2.116 0.004 . 2 . . . A 16 PRO HG2 . 25564 1 111 . 1 1 16 16 PRO HG3 H 1 1.790 0.008 . 2 . . . A 16 PRO HG3 . 25564 1 112 . 1 1 16 16 PRO HD2 H 1 3.776 0.007 . 2 . . . A 16 PRO HD2 . 25564 1 113 . 1 1 16 16 PRO HD3 H 1 3.654 0.007 . 2 . . . A 16 PRO HD3 . 25564 1 114 . 1 1 16 16 PRO C C 13 177.534 0.000 . 1 . . . A 16 PRO C . 25564 1 115 . 1 1 16 16 PRO CA C 13 63.604 0.052 . 1 . . . A 16 PRO CA . 25564 1 116 . 1 1 16 16 PRO CB C 13 31.484 0.050 . 1 . . . A 16 PRO CB . 25564 1 117 . 1 1 16 16 PRO CG C 13 28.467 0.040 . 1 . . . A 16 PRO CG . 25564 1 118 . 1 1 16 16 PRO CD C 13 50.404 0.086 . 1 . . . A 16 PRO CD . 25564 1 119 . 1 1 17 17 THR H H 1 9.415 0.005 . 1 . . . A 17 THR H . 25564 1 120 . 1 1 17 17 THR HA H 1 4.563 0.008 . 1 . . . A 17 THR HA . 25564 1 121 . 1 1 17 17 THR HB H 1 3.919 0.006 . 1 . . . A 17 THR HB . 25564 1 122 . 1 1 17 17 THR HG21 H 1 1.090 0.007 . 1 . . . A 17 THR HG21 . 25564 1 123 . 1 1 17 17 THR HG22 H 1 1.090 0.007 . 1 . . . A 17 THR HG22 . 25564 1 124 . 1 1 17 17 THR HG23 H 1 1.090 0.007 . 1 . . . A 17 THR HG23 . 25564 1 125 . 1 1 17 17 THR C C 13 172.578 0.000 . 1 . . . A 17 THR C . 25564 1 126 . 1 1 17 17 THR CA C 13 61.093 0.040 . 1 . . . A 17 THR CA . 25564 1 127 . 1 1 17 17 THR CB C 13 72.478 0.152 . 1 . . . A 17 THR CB . 25564 1 128 . 1 1 17 17 THR CG2 C 13 20.945 0.055 . 1 . . . A 17 THR CG2 . 25564 1 129 . 1 1 17 17 THR N N 15 117.955 0.063 . 1 . . . A 17 THR N . 25564 1 130 . 1 1 18 18 VAL H H 1 8.645 0.007 . 1 . . . A 18 VAL H . 25564 1 131 . 1 1 18 18 VAL HA H 1 4.372 0.014 . 1 . . . A 18 VAL HA . 25564 1 132 . 1 1 18 18 VAL HB H 1 1.958 0.007 . 1 . . . A 18 VAL HB . 25564 1 133 . 1 1 18 18 VAL HG11 H 1 0.753 0.007 . 2 . . . A 18 VAL HG11 . 25564 1 134 . 1 1 18 18 VAL HG12 H 1 0.753 0.007 . 2 . . . A 18 VAL HG12 . 25564 1 135 . 1 1 18 18 VAL HG13 H 1 0.753 0.007 . 2 . . . A 18 VAL HG13 . 25564 1 136 . 1 1 18 18 VAL HG21 H 1 0.944 0.006 . 2 . . . A 18 VAL HG21 . 25564 1 137 . 1 1 18 18 VAL HG22 H 1 0.944 0.006 . 2 . . . A 18 VAL HG22 . 25564 1 138 . 1 1 18 18 VAL HG23 H 1 0.944 0.006 . 2 . . . A 18 VAL HG23 . 25564 1 139 . 1 1 18 18 VAL C C 13 175.392 0.000 . 1 . . . A 18 VAL C . 25564 1 140 . 1 1 18 18 VAL CA C 13 62.850 0.112 . 1 . . . A 18 VAL CA . 25564 1 141 . 1 1 18 18 VAL CB C 13 32.074 0.093 . 1 . . . A 18 VAL CB . 25564 1 142 . 1 1 18 18 VAL CG1 C 13 21.964 0.114 . 2 . . . A 18 VAL CG1 . 25564 1 143 . 1 1 18 18 VAL CG2 C 13 21.841 0.173 . 2 . . . A 18 VAL CG2 . 25564 1 144 . 1 1 18 18 VAL N N 15 124.494 0.026 . 1 . . . A 18 VAL N . 25564 1 145 . 1 1 19 19 ASP H H 1 8.805 0.012 . 1 . . . A 19 ASP H . 25564 1 146 . 1 1 19 19 ASP HA H 1 4.723 0.007 . 1 . . . A 19 ASP HA . 25564 1 147 . 1 1 19 19 ASP HB2 H 1 2.218 0.005 . 2 . . . A 19 ASP HB2 . 25564 1 148 . 1 1 19 19 ASP HB3 H 1 2.429 0.006 . 2 . . . A 19 ASP HB3 . 25564 1 149 . 1 1 19 19 ASP C C 13 175.427 0.000 . 1 . . . A 19 ASP C . 25564 1 150 . 1 1 19 19 ASP CA C 13 54.903 0.055 . 1 . . . A 19 ASP CA . 25564 1 151 . 1 1 19 19 ASP CB C 13 44.271 0.023 . 1 . . . A 19 ASP CB . 25564 1 152 . 1 1 19 19 ASP N N 15 129.904 0.020 . 1 . . . A 19 ASP N . 25564 1 153 . 1 1 20 20 GLN H H 1 7.431 0.008 . 1 . . . A 20 GLN H . 25564 1 154 . 1 1 20 20 GLN HA H 1 4.450 0.009 . 1 . . . A 20 GLN HA . 25564 1 155 . 1 1 20 20 GLN HB2 H 1 1.869 0.009 . 2 . . . A 20 GLN HB2 . 25564 1 156 . 1 1 20 20 GLN HB3 H 1 1.944 0.004 . 2 . . . A 20 GLN HB3 . 25564 1 157 . 1 1 20 20 GLN HG2 H 1 2.239 0.008 . 2 . . . A 20 GLN HG2 . 25564 1 158 . 1 1 20 20 GLN HG3 H 1 2.216 0.007 . 2 . . . A 20 GLN HG3 . 25564 1 159 . 1 1 20 20 GLN HE21 H 1 7.440 0.004 . 1 . . . A 20 GLN HE21 . 25564 1 160 . 1 1 20 20 GLN HE22 H 1 6.648 0.005 . 1 . . . A 20 GLN HE22 . 25564 1 161 . 1 1 20 20 GLN C C 13 173.593 0.000 . 1 . . . A 20 GLN C . 25564 1 162 . 1 1 20 20 GLN CA C 13 55.945 0.109 . 1 . . . A 20 GLN CA . 25564 1 163 . 1 1 20 20 GLN CB C 13 31.989 0.145 . 1 . . . A 20 GLN CB . 25564 1 164 . 1 1 20 20 GLN CG C 13 33.954 0.036 . 1 . . . A 20 GLN CG . 25564 1 165 . 1 1 20 20 GLN CD C 13 180.468 0.000 . 1 . . . A 20 GLN CD . 25564 1 166 . 1 1 20 20 GLN N N 15 115.835 0.055 . 1 . . . A 20 GLN N . 25564 1 167 . 1 1 20 20 GLN NE2 N 15 111.660 0.050 . 1 . . . A 20 GLN NE2 . 25564 1 168 . 1 1 21 21 VAL H H 1 8.317 0.006 . 1 . . . A 21 VAL H . 25564 1 169 . 1 1 21 21 VAL HA H 1 4.719 0.007 . 1 . . . A 21 VAL HA . 25564 1 170 . 1 1 21 21 VAL HB H 1 1.967 0.006 . 1 . . . A 21 VAL HB . 25564 1 171 . 1 1 21 21 VAL HG11 H 1 1.088 0.018 . 2 . . . A 21 VAL HG11 . 25564 1 172 . 1 1 21 21 VAL HG12 H 1 1.088 0.018 . 2 . . . A 21 VAL HG12 . 25564 1 173 . 1 1 21 21 VAL HG13 H 1 1.088 0.018 . 2 . . . A 21 VAL HG13 . 25564 1 174 . 1 1 21 21 VAL HG21 H 1 1.103 0.015 . 2 . . . A 21 VAL HG21 . 25564 1 175 . 1 1 21 21 VAL HG22 H 1 1.103 0.015 . 2 . . . A 21 VAL HG22 . 25564 1 176 . 1 1 21 21 VAL HG23 H 1 1.103 0.015 . 2 . . . A 21 VAL HG23 . 25564 1 177 . 1 1 21 21 VAL C C 13 173.753 0.000 . 1 . . . A 21 VAL C . 25564 1 178 . 1 1 21 21 VAL CA C 13 61.319 0.104 . 1 . . . A 21 VAL CA . 25564 1 179 . 1 1 21 21 VAL CB C 13 35.003 0.017 . 1 . . . A 21 VAL CB . 25564 1 180 . 1 1 21 21 VAL CG1 C 13 21.914 0.004 . 2 . . . A 21 VAL CG1 . 25564 1 181 . 1 1 21 21 VAL CG2 C 13 21.264 0.071 . 2 . . . A 21 VAL CG2 . 25564 1 182 . 1 1 21 21 VAL N N 15 122.956 0.085 . 1 . . . A 21 VAL N . 25564 1 183 . 1 1 22 22 ASP H H 1 8.778 0.010 . 1 . . . A 22 ASP H . 25564 1 184 . 1 1 22 22 ASP HA H 1 4.754 0.006 . 1 . . . A 22 ASP HA . 25564 1 185 . 1 1 22 22 ASP HB2 H 1 2.751 0.006 . 2 . . . A 22 ASP HB2 . 25564 1 186 . 1 1 22 22 ASP HB3 H 1 3.035 0.007 . 2 . . . A 22 ASP HB3 . 25564 1 187 . 1 1 22 22 ASP C C 13 176.114 0.000 . 1 . . . A 22 ASP C . 25564 1 188 . 1 1 22 22 ASP CA C 13 53.639 0.084 . 1 . . . A 22 ASP CA . 25564 1 189 . 1 1 22 22 ASP CB C 13 41.377 0.016 . 1 . . . A 22 ASP CB . 25564 1 190 . 1 1 22 22 ASP N N 15 129.722 0.124 . 1 . . . A 22 ASP N . 25564 1 191 . 1 1 23 23 ASP H H 1 8.049 0.007 . 1 . . . A 23 ASP H . 25564 1 192 . 1 1 23 23 ASP HA H 1 4.634 0.007 . 1 . . . A 23 ASP HA . 25564 1 193 . 1 1 23 23 ASP HB2 H 1 2.600 0.008 . 2 . . . A 23 ASP HB2 . 25564 1 194 . 1 1 23 23 ASP HB3 H 1 2.664 0.008 . 2 . . . A 23 ASP HB3 . 25564 1 195 . 1 1 23 23 ASP C C 13 175.820 0.000 . 1 . . . A 23 ASP C . 25564 1 196 . 1 1 23 23 ASP CA C 13 56.327 0.090 . 1 . . . A 23 ASP CA . 25564 1 197 . 1 1 23 23 ASP CB C 13 40.906 0.016 . 1 . . . A 23 ASP CB . 25564 1 198 . 1 1 23 23 ASP N N 15 115.970 0.059 . 1 . . . A 23 ASP N . 25564 1 199 . 1 1 24 24 THR H H 1 7.392 0.009 . 1 . . . A 24 THR H . 25564 1 200 . 1 1 24 24 THR HA H 1 4.566 0.009 . 1 . . . A 24 THR HA . 25564 1 201 . 1 1 24 24 THR HB H 1 4.594 0.006 . 1 . . . A 24 THR HB . 25564 1 202 . 1 1 24 24 THR HG21 H 1 1.063 0.009 . 1 . . . A 24 THR HG21 . 25564 1 203 . 1 1 24 24 THR HG22 H 1 1.063 0.009 . 1 . . . A 24 THR HG22 . 25564 1 204 . 1 1 24 24 THR HG23 H 1 1.063 0.009 . 1 . . . A 24 THR HG23 . 25564 1 205 . 1 1 24 24 THR C C 13 174.274 0.000 . 1 . . . A 24 THR C . 25564 1 206 . 1 1 24 24 THR CA C 13 59.595 0.040 . 1 . . . A 24 THR CA . 25564 1 207 . 1 1 24 24 THR CB C 13 71.670 0.136 . 1 . . . A 24 THR CB . 25564 1 208 . 1 1 24 24 THR CG2 C 13 21.177 0.027 . 1 . . . A 24 THR CG2 . 25564 1 209 . 1 1 24 24 THR N N 15 97.756 0.037 . 1 . . . A 24 THR N . 25564 1 210 . 1 1 25 25 SER H H 1 7.693 0.007 . 1 . . . A 25 SER H . 25564 1 211 . 1 1 25 25 SER HA H 1 5.440 0.008 . 1 . . . A 25 SER HA . 25564 1 212 . 1 1 25 25 SER HB2 H 1 3.482 0.006 . 2 . . . A 25 SER HB2 . 25564 1 213 . 1 1 25 25 SER HB3 H 1 3.795 0.008 . 2 . . . A 25 SER HB3 . 25564 1 214 . 1 1 25 25 SER C C 13 171.891 0.000 . 1 . . . A 25 SER C . 25564 1 215 . 1 1 25 25 SER CA C 13 57.670 0.052 . 1 . . . A 25 SER CA . 25564 1 216 . 1 1 25 25 SER CB C 13 67.439 0.075 . 1 . . . A 25 SER CB . 25564 1 217 . 1 1 25 25 SER N N 15 116.249 0.052 . 1 . . . A 25 SER N . 25564 1 218 . 1 1 26 26 ILE H H 1 8.141 0.013 . 1 . . . A 26 ILE H . 25564 1 219 . 1 1 26 26 ILE HA H 1 4.414 0.013 . 1 . . . A 26 ILE HA . 25564 1 220 . 1 1 26 26 ILE HB H 1 1.159 0.008 . 1 . . . A 26 ILE HB . 25564 1 221 . 1 1 26 26 ILE HG12 H 1 1.452 0.008 . 2 . . . A 26 ILE HG12 . 25564 1 222 . 1 1 26 26 ILE HG13 H 1 0.811 0.009 . 2 . . . A 26 ILE HG13 . 25564 1 223 . 1 1 26 26 ILE HG21 H 1 0.688 0.010 . 1 . . . A 26 ILE HG21 . 25564 1 224 . 1 1 26 26 ILE HG22 H 1 0.688 0.010 . 1 . . . A 26 ILE HG22 . 25564 1 225 . 1 1 26 26 ILE HG23 H 1 0.688 0.010 . 1 . . . A 26 ILE HG23 . 25564 1 226 . 1 1 26 26 ILE HD11 H 1 0.536 0.007 . 1 . . . A 26 ILE HD11 . 25564 1 227 . 1 1 26 26 ILE HD12 H 1 0.536 0.007 . 1 . . . A 26 ILE HD12 . 25564 1 228 . 1 1 26 26 ILE HD13 H 1 0.536 0.007 . 1 . . . A 26 ILE HD13 . 25564 1 229 . 1 1 26 26 ILE C C 13 174.020 0.000 . 1 . . . A 26 ILE C . 25564 1 230 . 1 1 26 26 ILE CA C 13 61.134 0.090 . 1 . . . A 26 ILE CA . 25564 1 231 . 1 1 26 26 ILE CB C 13 45.088 0.056 . 1 . . . A 26 ILE CB . 25564 1 232 . 1 1 26 26 ILE CG1 C 13 29.096 0.036 . 1 . . . A 26 ILE CG1 . 25564 1 233 . 1 1 26 26 ILE CG2 C 13 18.481 0.032 . 1 . . . A 26 ILE CG2 . 25564 1 234 . 1 1 26 26 ILE CD1 C 13 14.752 0.047 . 1 . . . A 26 ILE CD1 . 25564 1 235 . 1 1 26 26 ILE N N 15 118.594 0.080 . 1 . . . A 26 ILE N . 25564 1 236 . 1 1 27 27 VAL H H 1 8.642 0.013 . 1 . . . A 27 VAL H . 25564 1 237 . 1 1 27 27 VAL HA H 1 4.973 0.008 . 1 . . . A 27 VAL HA . 25564 1 238 . 1 1 27 27 VAL HB H 1 1.873 0.010 . 1 . . . A 27 VAL HB . 25564 1 239 . 1 1 27 27 VAL HG11 H 1 0.769 0.006 . 2 . . . A 27 VAL HG11 . 25564 1 240 . 1 1 27 27 VAL HG12 H 1 0.769 0.006 . 2 . . . A 27 VAL HG12 . 25564 1 241 . 1 1 27 27 VAL HG13 H 1 0.769 0.006 . 2 . . . A 27 VAL HG13 . 25564 1 242 . 1 1 27 27 VAL HG21 H 1 0.947 0.006 . 2 . . . A 27 VAL HG21 . 25564 1 243 . 1 1 27 27 VAL HG22 H 1 0.947 0.006 . 2 . . . A 27 VAL HG22 . 25564 1 244 . 1 1 27 27 VAL HG23 H 1 0.947 0.006 . 2 . . . A 27 VAL HG23 . 25564 1 245 . 1 1 27 27 VAL C C 13 175.692 0.000 . 1 . . . A 27 VAL C . 25564 1 246 . 1 1 27 27 VAL CA C 13 61.449 0.054 . 1 . . . A 27 VAL CA . 25564 1 247 . 1 1 27 27 VAL CB C 13 33.813 0.036 . 1 . . . A 27 VAL CB . 25564 1 248 . 1 1 27 27 VAL CG1 C 13 20.696 0.029 . 2 . . . A 27 VAL CG1 . 25564 1 249 . 1 1 27 27 VAL CG2 C 13 21.161 0.030 . 2 . . . A 27 VAL CG2 . 25564 1 250 . 1 1 27 27 VAL N N 15 126.778 0.068 . 1 . . . A 27 VAL N . 25564 1 251 . 1 1 28 28 VAL H H 1 8.656 0.007 . 1 . . . A 28 VAL H . 25564 1 252 . 1 1 28 28 VAL HA H 1 4.860 0.006 . 1 . . . A 28 VAL HA . 25564 1 253 . 1 1 28 28 VAL HB H 1 1.958 0.005 . 1 . . . A 28 VAL HB . 25564 1 254 . 1 1 28 28 VAL HG11 H 1 0.843 0.007 . 2 . . . A 28 VAL HG11 . 25564 1 255 . 1 1 28 28 VAL HG12 H 1 0.843 0.007 . 2 . . . A 28 VAL HG12 . 25564 1 256 . 1 1 28 28 VAL HG13 H 1 0.843 0.007 . 2 . . . A 28 VAL HG13 . 25564 1 257 . 1 1 28 28 VAL HG21 H 1 1.014 0.010 . 2 . . . A 28 VAL HG21 . 25564 1 258 . 1 1 28 28 VAL HG22 H 1 1.014 0.010 . 2 . . . A 28 VAL HG22 . 25564 1 259 . 1 1 28 28 VAL HG23 H 1 1.014 0.010 . 2 . . . A 28 VAL HG23 . 25564 1 260 . 1 1 28 28 VAL C C 13 173.467 0.000 . 1 . . . A 28 VAL C . 25564 1 261 . 1 1 28 28 VAL CA C 13 60.454 0.092 . 1 . . . A 28 VAL CA . 25564 1 262 . 1 1 28 28 VAL CB C 13 34.952 0.053 . 1 . . . A 28 VAL CB . 25564 1 263 . 1 1 28 28 VAL CG1 C 13 22.318 0.036 . 2 . . . A 28 VAL CG1 . 25564 1 264 . 1 1 28 28 VAL CG2 C 13 22.226 0.038 . 2 . . . A 28 VAL CG2 . 25564 1 265 . 1 1 28 28 VAL N N 15 127.624 0.066 . 1 . . . A 28 VAL N . 25564 1 266 . 1 1 29 29 ARG H H 1 9.075 0.008 . 1 . . . A 29 ARG H . 25564 1 267 . 1 1 29 29 ARG HA H 1 4.717 0.009 . 1 . . . A 29 ARG HA . 25564 1 268 . 1 1 29 29 ARG HB2 H 1 1.548 0.006 . 1 . . . A 29 ARG HB2 . 25564 1 269 . 1 1 29 29 ARG HB3 H 1 1.548 0.006 . 1 . . . A 29 ARG HB3 . 25564 1 270 . 1 1 29 29 ARG HG2 H 1 1.388 0.009 . 1 . . . A 29 ARG HG2 . 25564 1 271 . 1 1 29 29 ARG HG3 H 1 1.388 0.009 . 1 . . . A 29 ARG HG3 . 25564 1 272 . 1 1 29 29 ARG HD2 H 1 2.965 0.005 . 1 . . . A 29 ARG HD2 . 25564 1 273 . 1 1 29 29 ARG HD3 H 1 2.965 0.005 . 1 . . . A 29 ARG HD3 . 25564 1 274 . 1 1 29 29 ARG C C 13 174.147 0.000 . 1 . . . A 29 ARG C . 25564 1 275 . 1 1 29 29 ARG CA C 13 54.866 0.064 . 1 . . . A 29 ARG CA . 25564 1 276 . 1 1 29 29 ARG CB C 13 34.191 0.029 . 1 . . . A 29 ARG CB . 25564 1 277 . 1 1 29 29 ARG CG C 13 27.473 0.033 . 1 . . . A 29 ARG CG . 25564 1 278 . 1 1 29 29 ARG CD C 13 43.259 0.028 . 1 . . . A 29 ARG CD . 25564 1 279 . 1 1 29 29 ARG N N 15 123.905 0.096 . 1 . . . A 29 ARG N . 25564 1 280 . 1 1 30 30 TRP H H 1 7.512 0.010 . 1 . . . A 30 TRP H . 25564 1 281 . 1 1 30 30 TRP HA H 1 4.846 0.007 . 1 . . . A 30 TRP HA . 25564 1 282 . 1 1 30 30 TRP HB2 H 1 3.039 0.008 . 2 . . . A 30 TRP HB2 . 25564 1 283 . 1 1 30 30 TRP HB3 H 1 3.173 0.010 . 2 . . . A 30 TRP HB3 . 25564 1 284 . 1 1 30 30 TRP HD1 H 1 6.978 0.006 . 1 . . . A 30 TRP HD1 . 25564 1 285 . 1 1 30 30 TRP HE1 H 1 7.676 0.011 . 1 . . . A 30 TRP HE1 . 25564 1 286 . 1 1 30 30 TRP HE3 H 1 6.798 0.008 . 1 . . . A 30 TRP HE3 . 25564 1 287 . 1 1 30 30 TRP HZ2 H 1 5.993 0.008 . 1 . . . A 30 TRP HZ2 . 25564 1 288 . 1 1 30 30 TRP HZ3 H 1 6.433 0.006 . 1 . . . A 30 TRP HZ3 . 25564 1 289 . 1 1 30 30 TRP HH2 H 1 6.245 0.007 . 1 . . . A 30 TRP HH2 . 25564 1 290 . 1 1 30 30 TRP C C 13 174.778 0.000 . 1 . . . A 30 TRP C . 25564 1 291 . 1 1 30 30 TRP CA C 13 57.535 0.055 . 1 . . . A 30 TRP CA . 25564 1 292 . 1 1 30 30 TRP CB C 13 30.298 0.046 . 1 . . . A 30 TRP CB . 25564 1 293 . 1 1 30 30 TRP CD1 C 13 126.542 0.052 . 1 . . . A 30 TRP CD1 . 25564 1 294 . 1 1 30 30 TRP CE2 C 13 137.786 0.000 . 1 . . . A 30 TRP CE2 . 25564 1 295 . 1 1 30 30 TRP CE3 C 13 119.134 0.175 . 1 . . . A 30 TRP CE3 . 25564 1 296 . 1 1 30 30 TRP CZ2 C 13 112.775 0.086 . 1 . . . A 30 TRP CZ2 . 25564 1 297 . 1 1 30 30 TRP CZ3 C 13 120.821 0.106 . 1 . . . A 30 TRP CZ3 . 25564 1 298 . 1 1 30 30 TRP CH2 C 13 122.949 0.090 . 1 . . . A 30 TRP CH2 . 25564 1 299 . 1 1 30 30 TRP N N 15 116.284 0.046 . 1 . . . A 30 TRP N . 25564 1 300 . 1 1 30 30 TRP NE1 N 15 127.845 0.038 . 1 . . . A 30 TRP NE1 . 25564 1 301 . 1 1 31 31 SER HA H 1 4.747 0.013 . 1 . . . A 31 SER HA . 25564 1 302 . 1 1 31 31 SER HB2 H 1 3.804 0.013 . 2 . . . A 31 SER HB2 . 25564 1 303 . 1 1 31 31 SER HB3 H 1 3.940 0.004 . 2 . . . A 31 SER HB3 . 25564 1 304 . 1 1 31 31 SER C C 13 172.773 0.000 . 1 . . . A 31 SER C . 25564 1 305 . 1 1 31 31 SER CA C 13 57.875 0.046 . 1 . . . A 31 SER CA . 25564 1 306 . 1 1 31 31 SER CB C 13 64.093 0.029 . 1 . . . A 31 SER CB . 25564 1 307 . 1 1 32 32 ARG H H 1 8.337 0.008 . 1 . . . A 32 ARG H . 25564 1 308 . 1 1 32 32 ARG HA H 1 4.879 0.008 . 1 . . . A 32 ARG HA . 25564 1 309 . 1 1 32 32 ARG HB2 H 1 1.893 0.016 . 2 . . . A 32 ARG HB2 . 25564 1 310 . 1 1 32 32 ARG HB3 H 1 1.911 0.005 . 2 . . . A 32 ARG HB3 . 25564 1 311 . 1 1 32 32 ARG HG2 H 1 2.152 0.007 . 2 . . . A 32 ARG HG2 . 25564 1 312 . 1 1 32 32 ARG HG3 H 1 1.901 0.007 . 2 . . . A 32 ARG HG3 . 25564 1 313 . 1 1 32 32 ARG HD2 H 1 3.308 0.009 . 2 . . . A 32 ARG HD2 . 25564 1 314 . 1 1 32 32 ARG HD3 H 1 3.262 0.016 . 2 . . . A 32 ARG HD3 . 25564 1 315 . 1 1 32 32 ARG C C 13 175.788 0.000 . 1 . . . A 32 ARG C . 25564 1 316 . 1 1 32 32 ARG CA C 13 55.285 0.071 . 1 . . . A 32 ARG CA . 25564 1 317 . 1 1 32 32 ARG CB C 13 31.420 0.094 . 1 . . . A 32 ARG CB . 25564 1 318 . 1 1 32 32 ARG CG C 13 27.233 0.063 . 1 . . . A 32 ARG CG . 25564 1 319 . 1 1 32 32 ARG CD C 13 43.942 0.103 . 1 . . . A 32 ARG CD . 25564 1 320 . 1 1 32 32 ARG N N 15 122.062 0.051 . 1 . . . A 32 ARG N . 25564 1 321 . 1 1 33 33 PRO HA H 1 4.476 0.009 . 1 . . . A 33 PRO HA . 25564 1 322 . 1 1 33 33 PRO HB2 H 1 2.021 0.009 . 1 . . . A 33 PRO HB2 . 25564 1 323 . 1 1 33 33 PRO HB3 H 1 2.411 0.010 . 1 . . . A 33 PRO HB3 . 25564 1 324 . 1 1 33 33 PRO HG2 H 1 2.030 0.009 . 2 . . . A 33 PRO HG2 . 25564 1 325 . 1 1 33 33 PRO HG3 H 1 1.814 0.006 . 2 . . . A 33 PRO HG3 . 25564 1 326 . 1 1 33 33 PRO HD2 H 1 4.345 0.006 . 2 . . . A 33 PRO HD2 . 25564 1 327 . 1 1 33 33 PRO HD3 H 1 3.969 0.007 . 2 . . . A 33 PRO HD3 . 25564 1 328 . 1 1 33 33 PRO C C 13 175.739 0.000 . 1 . . . A 33 PRO C . 25564 1 329 . 1 1 33 33 PRO CA C 13 62.966 0.093 . 1 . . . A 33 PRO CA . 25564 1 330 . 1 1 33 33 PRO CB C 13 32.975 0.045 . 1 . . . A 33 PRO CB . 25564 1 331 . 1 1 33 33 PRO CG C 13 28.278 0.078 . 1 . . . A 33 PRO CG . 25564 1 332 . 1 1 33 33 PRO CD C 13 52.132 0.087 . 1 . . . A 33 PRO CD . 25564 1 333 . 1 1 34 34 GLN H H 1 10.310 0.012 . 1 . . . A 34 GLN H . 25564 1 334 . 1 1 34 34 GLN HA H 1 4.154 0.007 . 1 . . . A 34 GLN HA . 25564 1 335 . 1 1 34 34 GLN HB2 H 1 2.033 0.006 . 2 . . . A 34 GLN HB2 . 25564 1 336 . 1 1 34 34 GLN HB3 H 1 2.119 0.011 . 2 . . . A 34 GLN HB3 . 25564 1 337 . 1 1 34 34 GLN HG2 H 1 2.452 0.011 . 2 . . . A 34 GLN HG2 . 25564 1 338 . 1 1 34 34 GLN HG3 H 1 2.422 0.011 . 2 . . . A 34 GLN HG3 . 25564 1 339 . 1 1 34 34 GLN HE21 H 1 7.643 0.006 . 1 . . . A 34 GLN HE21 . 25564 1 340 . 1 1 34 34 GLN HE22 H 1 6.837 0.005 . 1 . . . A 34 GLN HE22 . 25564 1 341 . 1 1 34 34 GLN C C 13 177.396 0.000 . 1 . . . A 34 GLN C . 25564 1 342 . 1 1 34 34 GLN CA C 13 57.503 0.105 . 1 . . . A 34 GLN CA . 25564 1 343 . 1 1 34 34 GLN CB C 13 29.646 0.069 . 1 . . . A 34 GLN CB . 25564 1 344 . 1 1 34 34 GLN CG C 13 34.472 0.097 . 1 . . . A 34 GLN CG . 25564 1 345 . 1 1 34 34 GLN CD C 13 180.684 0.000 . 1 . . . A 34 GLN CD . 25564 1 346 . 1 1 34 34 GLN N N 15 122.510 0.067 . 1 . . . A 34 GLN N . 25564 1 347 . 1 1 34 34 GLN NE2 N 15 113.032 0.077 . 1 . . . A 34 GLN NE2 . 25564 1 348 . 1 1 35 35 ALA H H 1 8.725 0.011 . 1 . . . A 35 ALA H . 25564 1 349 . 1 1 35 35 ALA HA H 1 4.478 0.009 . 1 . . . A 35 ALA HA . 25564 1 350 . 1 1 35 35 ALA HB1 H 1 1.448 0.008 . 1 . . . A 35 ALA HB1 . 25564 1 351 . 1 1 35 35 ALA HB2 H 1 1.448 0.008 . 1 . . . A 35 ALA HB2 . 25564 1 352 . 1 1 35 35 ALA HB3 H 1 1.448 0.008 . 1 . . . A 35 ALA HB3 . 25564 1 353 . 1 1 35 35 ALA C C 13 174.959 0.000 . 1 . . . A 35 ALA C . 25564 1 354 . 1 1 35 35 ALA CA C 13 50.867 0.122 . 1 . . . A 35 ALA CA . 25564 1 355 . 1 1 35 35 ALA CB C 13 19.170 0.034 . 1 . . . A 35 ALA CB . 25564 1 356 . 1 1 35 35 ALA N N 15 123.797 0.074 . 1 . . . A 35 ALA N . 25564 1 357 . 1 1 36 36 PRO HA H 1 4.583 0.005 . 1 . . . A 36 PRO HA . 25564 1 358 . 1 1 36 36 PRO HB2 H 1 2.029 0.006 . 1 . . . A 36 PRO HB2 . 25564 1 359 . 1 1 36 36 PRO HB3 H 1 2.029 0.006 . 1 . . . A 36 PRO HB3 . 25564 1 360 . 1 1 36 36 PRO HG2 H 1 2.048 0.008 . 2 . . . A 36 PRO HG2 . 25564 1 361 . 1 1 36 36 PRO HG3 H 1 1.965 0.006 . 2 . . . A 36 PRO HG3 . 25564 1 362 . 1 1 36 36 PRO HD2 H 1 3.681 0.005 . 2 . . . A 36 PRO HD2 . 25564 1 363 . 1 1 36 36 PRO HD3 H 1 3.585 0.005 . 2 . . . A 36 PRO HD3 . 25564 1 364 . 1 1 36 36 PRO C C 13 175.555 0.000 . 1 . . . A 36 PRO C . 25564 1 365 . 1 1 36 36 PRO CA C 13 63.002 0.036 . 1 . . . A 36 PRO CA . 25564 1 366 . 1 1 36 36 PRO CB C 13 29.975 0.050 . 1 . . . A 36 PRO CB . 25564 1 367 . 1 1 36 36 PRO CG C 13 27.883 0.061 . 1 . . . A 36 PRO CG . 25564 1 368 . 1 1 36 36 PRO CD C 13 50.254 0.071 . 1 . . . A 36 PRO CD . 25564 1 369 . 1 1 37 37 ILE H H 1 7.946 0.007 . 1 . . . A 37 ILE H . 25564 1 370 . 1 1 37 37 ILE HA H 1 4.400 0.010 . 1 . . . A 37 ILE HA . 25564 1 371 . 1 1 37 37 ILE HB H 1 2.214 0.008 . 1 . . . A 37 ILE HB . 25564 1 372 . 1 1 37 37 ILE HG12 H 1 1.287 0.009 . 2 . . . A 37 ILE HG12 . 25564 1 373 . 1 1 37 37 ILE HG13 H 1 1.094 0.006 . 2 . . . A 37 ILE HG13 . 25564 1 374 . 1 1 37 37 ILE HG21 H 1 0.841 0.010 . 1 . . . A 37 ILE HG21 . 25564 1 375 . 1 1 37 37 ILE HG22 H 1 0.841 0.010 . 1 . . . A 37 ILE HG22 . 25564 1 376 . 1 1 37 37 ILE HG23 H 1 0.841 0.010 . 1 . . . A 37 ILE HG23 . 25564 1 377 . 1 1 37 37 ILE HD11 H 1 0.663 0.009 . 1 . . . A 37 ILE HD11 . 25564 1 378 . 1 1 37 37 ILE HD12 H 1 0.663 0.009 . 1 . . . A 37 ILE HD12 . 25564 1 379 . 1 1 37 37 ILE HD13 H 1 0.663 0.009 . 1 . . . A 37 ILE HD13 . 25564 1 380 . 1 1 37 37 ILE C C 13 176.204 0.000 . 1 . . . A 37 ILE C . 25564 1 381 . 1 1 37 37 ILE CA C 13 61.111 0.108 . 1 . . . A 37 ILE CA . 25564 1 382 . 1 1 37 37 ILE CB C 13 41.642 0.046 . 1 . . . A 37 ILE CB . 25564 1 383 . 1 1 37 37 ILE CG1 C 13 25.831 0.065 . 1 . . . A 37 ILE CG1 . 25564 1 384 . 1 1 37 37 ILE CG2 C 13 20.015 0.034 . 1 . . . A 37 ILE CG2 . 25564 1 385 . 1 1 37 37 ILE CD1 C 13 15.300 0.066 . 1 . . . A 37 ILE CD1 . 25564 1 386 . 1 1 37 37 ILE N N 15 114.656 0.079 . 1 . . . A 37 ILE N . 25564 1 387 . 1 1 38 38 THR H H 1 9.767 0.007 . 1 . . . A 38 THR H . 25564 1 388 . 1 1 38 38 THR HA H 1 4.576 0.008 . 1 . . . A 38 THR HA . 25564 1 389 . 1 1 38 38 THR HB H 1 4.493 0.011 . 1 . . . A 38 THR HB . 25564 1 390 . 1 1 38 38 THR HG21 H 1 1.266 0.007 . 1 . . . A 38 THR HG21 . 25564 1 391 . 1 1 38 38 THR HG22 H 1 1.266 0.007 . 1 . . . A 38 THR HG22 . 25564 1 392 . 1 1 38 38 THR HG23 H 1 1.266 0.007 . 1 . . . A 38 THR HG23 . 25564 1 393 . 1 1 38 38 THR C C 13 175.325 0.000 . 1 . . . A 38 THR C . 25564 1 394 . 1 1 38 38 THR CA C 13 61.858 0.097 . 1 . . . A 38 THR CA . 25564 1 395 . 1 1 38 38 THR CB C 13 69.971 0.000 . 1 . . . A 38 THR CB . 25564 1 396 . 1 1 38 38 THR CG2 C 13 22.327 0.058 . 1 . . . A 38 THR CG2 . 25564 1 397 . 1 1 38 38 THR N N 15 109.332 0.045 . 1 . . . A 38 THR N . 25564 1 398 . 1 1 39 39 GLY H H 1 7.641 0.007 . 1 . . . A 39 GLY H . 25564 1 399 . 1 1 39 39 GLY HA2 H 1 4.423 0.009 . 2 . . . A 39 GLY HA2 . 25564 1 400 . 1 1 39 39 GLY HA3 H 1 3.579 0.007 . 2 . . . A 39 GLY HA3 . 25564 1 401 . 1 1 39 39 GLY C C 13 169.390 0.000 . 1 . . . A 39 GLY C . 25564 1 402 . 1 1 39 39 GLY CA C 13 45.640 0.045 . 1 . . . A 39 GLY CA . 25564 1 403 . 1 1 39 39 GLY N N 15 109.326 0.051 . 1 . . . A 39 GLY N . 25564 1 404 . 1 1 40 40 TYR H H 1 8.470 0.008 . 1 . . . A 40 TYR H . 25564 1 405 . 1 1 40 40 TYR HA H 1 5.352 0.006 . 1 . . . A 40 TYR HA . 25564 1 406 . 1 1 40 40 TYR HB2 H 1 2.430 0.006 . 2 . . . A 40 TYR HB2 . 25564 1 407 . 1 1 40 40 TYR HB3 H 1 2.719 0.008 . 2 . . . A 40 TYR HB3 . 25564 1 408 . 1 1 40 40 TYR HD1 H 1 6.843 0.012 . 3 . . . A 40 TYR HD1 . 25564 1 409 . 1 1 40 40 TYR HD2 H 1 6.843 0.012 . 3 . . . A 40 TYR HD2 . 25564 1 410 . 1 1 40 40 TYR HE1 H 1 6.696 0.009 . 3 . . . A 40 TYR HE1 . 25564 1 411 . 1 1 40 40 TYR HE2 H 1 6.696 0.009 . 3 . . . A 40 TYR HE2 . 25564 1 412 . 1 1 40 40 TYR HH H 1 9.552 0.003 . 1 . . . A 40 TYR HH . 25564 1 413 . 1 1 40 40 TYR C C 13 174.719 0.000 . 1 . . . A 40 TYR C . 25564 1 414 . 1 1 40 40 TYR CA C 13 56.989 0.042 . 1 . . . A 40 TYR CA . 25564 1 415 . 1 1 40 40 TYR CB C 13 43.319 0.063 . 1 . . . A 40 TYR CB . 25564 1 416 . 1 1 40 40 TYR CD1 C 13 133.366 0.031 . 3 . . . A 40 TYR CD1 . 25564 1 417 . 1 1 40 40 TYR CD2 C 13 133.366 0.031 . 3 . . . A 40 TYR CD2 . 25564 1 418 . 1 1 40 40 TYR CE1 C 13 118.300 0.000 . 3 . . . A 40 TYR CE1 . 25564 1 419 . 1 1 40 40 TYR CE2 C 13 118.300 0.000 . 3 . . . A 40 TYR CE2 . 25564 1 420 . 1 1 40 40 TYR N N 15 113.638 0.048 . 1 . . . A 40 TYR N . 25564 1 421 . 1 1 41 41 ARG H H 1 9.148 0.008 . 1 . . . A 41 ARG H . 25564 1 422 . 1 1 41 41 ARG HA H 1 5.282 0.007 . 1 . . . A 41 ARG HA . 25564 1 423 . 1 1 41 41 ARG HB2 H 1 1.528 0.008 . 2 . . . A 41 ARG HB2 . 25564 1 424 . 1 1 41 41 ARG HB3 H 1 1.739 0.010 . 2 . . . A 41 ARG HB3 . 25564 1 425 . 1 1 41 41 ARG HG2 H 1 1.511 0.010 . 2 . . . A 41 ARG HG2 . 25564 1 426 . 1 1 41 41 ARG HG3 H 1 1.208 0.008 . 2 . . . A 41 ARG HG3 . 25564 1 427 . 1 1 41 41 ARG HD2 H 1 3.155 0.011 . 2 . . . A 41 ARG HD2 . 25564 1 428 . 1 1 41 41 ARG HD3 H 1 2.778 0.006 . 2 . . . A 41 ARG HD3 . 25564 1 429 . 1 1 41 41 ARG HE H 1 8.201 0.013 . 1 . . . A 41 ARG HE . 25564 1 430 . 1 1 41 41 ARG C C 13 173.714 0.000 . 1 . . . A 41 ARG C . 25564 1 431 . 1 1 41 41 ARG CA C 13 55.769 0.097 . 1 . . . A 41 ARG CA . 25564 1 432 . 1 1 41 41 ARG CB C 13 34.701 0.027 . 1 . . . A 41 ARG CB . 25564 1 433 . 1 1 41 41 ARG CG C 13 28.636 0.057 . 1 . . . A 41 ARG CG . 25564 1 434 . 1 1 41 41 ARG CD C 13 43.670 0.054 . 1 . . . A 41 ARG CD . 25564 1 435 . 1 1 41 41 ARG N N 15 125.140 0.047 . 1 . . . A 41 ARG N . 25564 1 436 . 1 1 41 41 ARG NE N 15 83.667 0.048 . 1 . . . A 41 ARG NE . 25564 1 437 . 1 1 42 42 ILE H H 1 9.237 0.007 . 1 . . . A 42 ILE H . 25564 1 438 . 1 1 42 42 ILE HA H 1 5.342 0.009 . 1 . . . A 42 ILE HA . 25564 1 439 . 1 1 42 42 ILE HB H 1 1.911 0.006 . 1 . . . A 42 ILE HB . 25564 1 440 . 1 1 42 42 ILE HG12 H 1 1.347 0.013 . 2 . . . A 42 ILE HG12 . 25564 1 441 . 1 1 42 42 ILE HG13 H 1 1.239 0.018 . 2 . . . A 42 ILE HG13 . 25564 1 442 . 1 1 42 42 ILE HG21 H 1 0.874 0.009 . 1 . . . A 42 ILE HG21 . 25564 1 443 . 1 1 42 42 ILE HG22 H 1 0.874 0.009 . 1 . . . A 42 ILE HG22 . 25564 1 444 . 1 1 42 42 ILE HG23 H 1 0.874 0.009 . 1 . . . A 42 ILE HG23 . 25564 1 445 . 1 1 42 42 ILE HD11 H 1 0.595 0.007 . 1 . . . A 42 ILE HD11 . 25564 1 446 . 1 1 42 42 ILE HD12 H 1 0.595 0.007 . 1 . . . A 42 ILE HD12 . 25564 1 447 . 1 1 42 42 ILE HD13 H 1 0.595 0.007 . 1 . . . A 42 ILE HD13 . 25564 1 448 . 1 1 42 42 ILE C C 13 174.706 0.000 . 1 . . . A 42 ILE C . 25564 1 449 . 1 1 42 42 ILE CA C 13 58.783 0.067 . 1 . . . A 42 ILE CA . 25564 1 450 . 1 1 42 42 ILE CB C 13 40.394 0.041 . 1 . . . A 42 ILE CB . 25564 1 451 . 1 1 42 42 ILE CG1 C 13 29.018 0.036 . 1 . . . A 42 ILE CG1 . 25564 1 452 . 1 1 42 42 ILE CG2 C 13 17.905 0.037 . 1 . . . A 42 ILE CG2 . 25564 1 453 . 1 1 42 42 ILE CD1 C 13 14.120 0.042 . 1 . . . A 42 ILE CD1 . 25564 1 454 . 1 1 42 42 ILE N N 15 126.999 0.054 . 1 . . . A 42 ILE N . 25564 1 455 . 1 1 43 43 VAL H H 1 9.369 0.007 . 1 . . . A 43 VAL H . 25564 1 456 . 1 1 43 43 VAL HA H 1 5.348 0.005 . 1 . . . A 43 VAL HA . 25564 1 457 . 1 1 43 43 VAL HB H 1 2.054 0.006 . 1 . . . A 43 VAL HB . 25564 1 458 . 1 1 43 43 VAL HG11 H 1 0.972 0.009 . 2 . . . A 43 VAL HG11 . 25564 1 459 . 1 1 43 43 VAL HG12 H 1 0.972 0.009 . 2 . . . A 43 VAL HG12 . 25564 1 460 . 1 1 43 43 VAL HG13 H 1 0.972 0.009 . 2 . . . A 43 VAL HG13 . 25564 1 461 . 1 1 43 43 VAL HG21 H 1 1.059 0.009 . 2 . . . A 43 VAL HG21 . 25564 1 462 . 1 1 43 43 VAL HG22 H 1 1.059 0.009 . 2 . . . A 43 VAL HG22 . 25564 1 463 . 1 1 43 43 VAL HG23 H 1 1.059 0.009 . 2 . . . A 43 VAL HG23 . 25564 1 464 . 1 1 43 43 VAL C C 13 175.795 0.000 . 1 . . . A 43 VAL C . 25564 1 465 . 1 1 43 43 VAL CA C 13 60.604 0.047 . 1 . . . A 43 VAL CA . 25564 1 466 . 1 1 43 43 VAL CB C 13 35.179 0.066 . 1 . . . A 43 VAL CB . 25564 1 467 . 1 1 43 43 VAL CG1 C 13 21.758 0.028 . 2 . . . A 43 VAL CG1 . 25564 1 468 . 1 1 43 43 VAL CG2 C 13 21.646 0.075 . 2 . . . A 43 VAL CG2 . 25564 1 469 . 1 1 43 43 VAL N N 15 126.775 0.060 . 1 . . . A 43 VAL N . 25564 1 470 . 1 1 44 44 TYR H H 1 9.253 0.008 . 1 . . . A 44 TYR H . 25564 1 471 . 1 1 44 44 TYR HA H 1 6.244 0.005 . 1 . . . A 44 TYR HA . 25564 1 472 . 1 1 44 44 TYR HB2 H 1 2.882 0.011 . 1 . . . A 44 TYR HB2 . 25564 1 473 . 1 1 44 44 TYR HB3 H 1 2.882 0.011 . 1 . . . A 44 TYR HB3 . 25564 1 474 . 1 1 44 44 TYR HD1 H 1 6.773 0.007 . 3 . . . A 44 TYR HD1 . 25564 1 475 . 1 1 44 44 TYR HD2 H 1 6.773 0.007 . 3 . . . A 44 TYR HD2 . 25564 1 476 . 1 1 44 44 TYR HE1 H 1 6.650 0.007 . 3 . . . A 44 TYR HE1 . 25564 1 477 . 1 1 44 44 TYR HE2 H 1 6.650 0.007 . 3 . . . A 44 TYR HE2 . 25564 1 478 . 1 1 44 44 TYR C C 13 174.353 0.000 . 1 . . . A 44 TYR C . 25564 1 479 . 1 1 44 44 TYR CA C 13 55.410 0.047 . 1 . . . A 44 TYR CA . 25564 1 480 . 1 1 44 44 TYR CB C 13 43.350 0.048 . 1 . . . A 44 TYR CB . 25564 1 481 . 1 1 44 44 TYR CD1 C 13 133.356 0.064 . 3 . . . A 44 TYR CD1 . 25564 1 482 . 1 1 44 44 TYR CD2 C 13 133.356 0.064 . 3 . . . A 44 TYR CD2 . 25564 1 483 . 1 1 44 44 TYR CE1 C 13 118.482 0.067 . 3 . . . A 44 TYR CE1 . 25564 1 484 . 1 1 44 44 TYR CE2 C 13 118.482 0.067 . 3 . . . A 44 TYR CE2 . 25564 1 485 . 1 1 44 44 TYR N N 15 122.788 0.052 . 1 . . . A 44 TYR N . 25564 1 486 . 1 1 45 45 SER H H 1 8.797 0.005 . 1 . . . A 45 SER H . 25564 1 487 . 1 1 45 45 SER HA H 1 5.208 0.003 . 1 . . . A 45 SER HA . 25564 1 488 . 1 1 45 45 SER HB2 H 1 3.776 0.006 . 1 . . . A 45 SER HB2 . 25564 1 489 . 1 1 45 45 SER HB3 H 1 3.776 0.006 . 1 . . . A 45 SER HB3 . 25564 1 490 . 1 1 45 45 SER C C 13 171.693 0.000 . 1 . . . A 45 SER C . 25564 1 491 . 1 1 45 45 SER CA C 13 55.870 0.031 . 1 . . . A 45 SER CA . 25564 1 492 . 1 1 45 45 SER CB C 13 65.646 0.100 . 1 . . . A 45 SER CB . 25564 1 493 . 1 1 45 45 SER N N 15 114.339 0.035 . 1 . . . A 45 SER N . 25564 1 494 . 1 1 46 46 PRO HA H 1 4.386 0.008 . 1 . . . A 46 PRO HA . 25564 1 495 . 1 1 46 46 PRO HB2 H 1 1.822 0.004 . 1 . . . A 46 PRO HB2 . 25564 1 496 . 1 1 46 46 PRO HB3 H 1 1.937 0.010 . 1 . . . A 46 PRO HB3 . 25564 1 497 . 1 1 46 46 PRO HG2 H 1 2.181 0.012 . 2 . . . A 46 PRO HG2 . 25564 1 498 . 1 1 46 46 PRO HG3 H 1 1.995 0.004 . 2 . . . A 46 PRO HG3 . 25564 1 499 . 1 1 46 46 PRO HD2 H 1 3.949 0.010 . 2 . . . A 46 PRO HD2 . 25564 1 500 . 1 1 46 46 PRO HD3 H 1 3.796 0.011 . 2 . . . A 46 PRO HD3 . 25564 1 501 . 1 1 46 46 PRO C C 13 177.666 0.000 . 1 . . . A 46 PRO C . 25564 1 502 . 1 1 46 46 PRO CA C 13 62.692 0.170 . 1 . . . A 46 PRO CA . 25564 1 503 . 1 1 46 46 PRO CB C 13 32.017 0.061 . 1 . . . A 46 PRO CB . 25564 1 504 . 1 1 46 46 PRO CG C 13 27.694 0.023 . 1 . . . A 46 PRO CG . 25564 1 505 . 1 1 46 46 PRO CD C 13 51.090 0.109 . 1 . . . A 46 PRO CD . 25564 1 506 . 1 1 47 47 SER H H 1 8.648 0.007 . 1 . . . A 47 SER H . 25564 1 507 . 1 1 47 47 SER HA H 1 4.069 0.005 . 1 . . . A 47 SER HA . 25564 1 508 . 1 1 47 47 SER HB2 H 1 3.761 0.011 . 2 . . . A 47 SER HB2 . 25564 1 509 . 1 1 47 47 SER HB3 H 1 3.772 0.010 . 2 . . . A 47 SER HB3 . 25564 1 510 . 1 1 47 47 SER C C 13 175.055 0.000 . 1 . . . A 47 SER C . 25564 1 511 . 1 1 47 47 SER CA C 13 60.992 0.038 . 1 . . . A 47 SER CA . 25564 1 512 . 1 1 47 47 SER CB C 13 63.541 0.075 . 1 . . . A 47 SER CB . 25564 1 513 . 1 1 47 47 SER N N 15 118.732 0.031 . 1 . . . A 47 SER N . 25564 1 514 . 1 1 48 48 VAL H H 1 7.640 0.008 . 1 . . . A 48 VAL H . 25564 1 515 . 1 1 48 48 VAL HA H 1 4.082 0.008 . 1 . . . A 48 VAL HA . 25564 1 516 . 1 1 48 48 VAL HB H 1 2.116 0.005 . 1 . . . A 48 VAL HB . 25564 1 517 . 1 1 48 48 VAL HG11 H 1 0.885 0.008 . 2 . . . A 48 VAL HG11 . 25564 1 518 . 1 1 48 48 VAL HG12 H 1 0.885 0.008 . 2 . . . A 48 VAL HG12 . 25564 1 519 . 1 1 48 48 VAL HG13 H 1 0.885 0.008 . 2 . . . A 48 VAL HG13 . 25564 1 520 . 1 1 48 48 VAL HG21 H 1 0.909 0.007 . 2 . . . A 48 VAL HG21 . 25564 1 521 . 1 1 48 48 VAL HG22 H 1 0.909 0.007 . 2 . . . A 48 VAL HG22 . 25564 1 522 . 1 1 48 48 VAL HG23 H 1 0.909 0.007 . 2 . . . A 48 VAL HG23 . 25564 1 523 . 1 1 48 48 VAL C C 13 175.456 0.000 . 1 . . . A 48 VAL C . 25564 1 524 . 1 1 48 48 VAL CA C 13 62.987 0.124 . 1 . . . A 48 VAL CA . 25564 1 525 . 1 1 48 48 VAL CB C 13 32.869 0.045 . 1 . . . A 48 VAL CB . 25564 1 526 . 1 1 48 48 VAL CG1 C 13 20.555 0.051 . 2 . . . A 48 VAL CG1 . 25564 1 527 . 1 1 48 48 VAL CG2 C 13 21.520 0.040 . 2 . . . A 48 VAL CG2 . 25564 1 528 . 1 1 48 48 VAL N N 15 117.213 0.077 . 1 . . . A 48 VAL N . 25564 1 529 . 1 1 49 49 GLU H H 1 8.150 0.008 . 1 . . . A 49 GLU H . 25564 1 530 . 1 1 49 49 GLU HA H 1 4.148 0.011 . 1 . . . A 49 GLU HA . 25564 1 531 . 1 1 49 49 GLU HB2 H 1 1.974 0.006 . 2 . . . A 49 GLU HB2 . 25564 1 532 . 1 1 49 49 GLU HB3 H 1 2.094 0.007 . 2 . . . A 49 GLU HB3 . 25564 1 533 . 1 1 49 49 GLU HG2 H 1 2.292 0.005 . 2 . . . A 49 GLU HG2 . 25564 1 534 . 1 1 49 49 GLU HG3 H 1 2.212 0.013 . 2 . . . A 49 GLU HG3 . 25564 1 535 . 1 1 49 49 GLU C C 13 176.081 0.000 . 1 . . . A 49 GLU C . 25564 1 536 . 1 1 49 49 GLU CA C 13 57.174 0.151 . 1 . . . A 49 GLU CA . 25564 1 537 . 1 1 49 49 GLU CB C 13 30.168 0.056 . 1 . . . A 49 GLU CB . 25564 1 538 . 1 1 49 49 GLU CG C 13 36.413 0.015 . 1 . . . A 49 GLU CG . 25564 1 539 . 1 1 49 49 GLU N N 15 119.528 0.057 . 1 . . . A 49 GLU N . 25564 1 540 . 1 1 50 50 GLY H H 1 8.144 0.008 . 1 . . . A 50 GLY H . 25564 1 541 . 1 1 50 50 GLY HA2 H 1 4.020 0.009 . 1 . . . A 50 GLY HA2 . 25564 1 542 . 1 1 50 50 GLY HA3 H 1 4.020 0.009 . 1 . . . A 50 GLY HA3 . 25564 1 543 . 1 1 50 50 GLY C C 13 173.617 0.000 . 1 . . . A 50 GLY C . 25564 1 544 . 1 1 50 50 GLY CA C 13 45.410 0.084 . 1 . . . A 50 GLY CA . 25564 1 545 . 1 1 50 50 GLY N N 15 108.013 0.073 . 1 . . . A 50 GLY N . 25564 1 546 . 1 1 51 51 SER H H 1 8.248 0.000 . 1 . . . A 51 SER H . 25564 1 547 . 1 1 51 51 SER HA H 1 4.604 0.006 . 1 . . . A 51 SER HA . 25564 1 548 . 1 1 51 51 SER HB2 H 1 3.855 0.014 . 2 . . . A 51 SER HB2 . 25564 1 549 . 1 1 51 51 SER HB3 H 1 3.895 0.007 . 2 . . . A 51 SER HB3 . 25564 1 550 . 1 1 51 51 SER CA C 13 58.145 0.045 . 1 . . . A 51 SER CA . 25564 1 551 . 1 1 51 51 SER CB C 13 64.429 0.043 . 1 . . . A 51 SER CB . 25564 1 552 . 1 1 51 51 SER N N 15 115.893 0.000 . 1 . . . A 51 SER N . 25564 1 553 . 1 1 52 52 SER HA H 1 4.795 0.005 . 1 . . . A 52 SER HA . 25564 1 554 . 1 1 52 52 SER HB2 H 1 3.704 0.012 . 1 . . . A 52 SER HB2 . 25564 1 555 . 1 1 52 52 SER HB3 H 1 3.704 0.012 . 1 . . . A 52 SER HB3 . 25564 1 556 . 1 1 52 52 SER C C 13 173.840 0.000 . 1 . . . A 52 SER C . 25564 1 557 . 1 1 52 52 SER CA C 13 58.319 0.042 . 1 . . . A 52 SER CA . 25564 1 558 . 1 1 52 52 SER CB C 13 65.231 0.034 . 1 . . . A 52 SER CB . 25564 1 559 . 1 1 53 53 THR H H 1 8.344 0.008 . 1 . . . A 53 THR H . 25564 1 560 . 1 1 53 53 THR HA H 1 4.294 0.008 . 1 . . . A 53 THR HA . 25564 1 561 . 1 1 53 53 THR HB H 1 2.653 0.005 . 1 . . . A 53 THR HB . 25564 1 562 . 1 1 53 53 THR HG21 H 1 1.146 0.005 . 1 . . . A 53 THR HG21 . 25564 1 563 . 1 1 53 53 THR HG22 H 1 1.146 0.005 . 1 . . . A 53 THR HG22 . 25564 1 564 . 1 1 53 53 THR HG23 H 1 1.146 0.005 . 1 . . . A 53 THR HG23 . 25564 1 565 . 1 1 53 53 THR C C 13 171.241 0.000 . 1 . . . A 53 THR C . 25564 1 566 . 1 1 53 53 THR CA C 13 62.799 0.063 . 1 . . . A 53 THR CA . 25564 1 567 . 1 1 53 53 THR CB C 13 70.995 0.068 . 1 . . . A 53 THR CB . 25564 1 568 . 1 1 53 53 THR CG2 C 13 21.745 0.037 . 1 . . . A 53 THR CG2 . 25564 1 569 . 1 1 53 53 THR N N 15 121.052 0.045 . 1 . . . A 53 THR N . 25564 1 570 . 1 1 54 54 GLU H H 1 8.458 0.006 . 1 . . . A 54 GLU H . 25564 1 571 . 1 1 54 54 GLU HA H 1 5.614 0.006 . 1 . . . A 54 GLU HA . 25564 1 572 . 1 1 54 54 GLU HB2 H 1 1.952 0.006 . 1 . . . A 54 GLU HB2 . 25564 1 573 . 1 1 54 54 GLU HB3 H 1 1.953 0.007 . 1 . . . A 54 GLU HB3 . 25564 1 574 . 1 1 54 54 GLU HG2 H 1 2.107 0.005 . 2 . . . A 54 GLU HG2 . 25564 1 575 . 1 1 54 54 GLU HG3 H 1 1.974 0.007 . 2 . . . A 54 GLU HG3 . 25564 1 576 . 1 1 54 54 GLU C C 13 175.175 0.000 . 1 . . . A 54 GLU C . 25564 1 577 . 1 1 54 54 GLU CA C 13 54.512 0.037 . 1 . . . A 54 GLU CA . 25564 1 578 . 1 1 54 54 GLU CB C 13 33.671 0.023 . 1 . . . A 54 GLU CB . 25564 1 579 . 1 1 54 54 GLU CG C 13 37.783 0.042 . 1 . . . A 54 GLU CG . 25564 1 580 . 1 1 54 54 GLU N N 15 125.190 0.055 . 1 . . . A 54 GLU N . 25564 1 581 . 1 1 55 55 LEU H H 1 9.755 0.012 . 1 . . . A 55 LEU H . 25564 1 582 . 1 1 55 55 LEU HA H 1 4.855 0.006 . 1 . . . A 55 LEU HA . 25564 1 583 . 1 1 55 55 LEU HB2 H 1 1.605 0.005 . 2 . . . A 55 LEU HB2 . 25564 1 584 . 1 1 55 55 LEU HB3 H 1 1.709 0.009 . 2 . . . A 55 LEU HB3 . 25564 1 585 . 1 1 55 55 LEU HG H 1 1.053 0.004 . 1 . . . A 55 LEU HG . 25564 1 586 . 1 1 55 55 LEU HD11 H 1 0.983 0.008 . 1 . . . A 55 LEU HD11 . 25564 1 587 . 1 1 55 55 LEU HD12 H 1 0.983 0.008 . 1 . . . A 55 LEU HD12 . 25564 1 588 . 1 1 55 55 LEU HD13 H 1 0.983 0.008 . 1 . . . A 55 LEU HD13 . 25564 1 589 . 1 1 55 55 LEU HD21 H 1 0.983 0.008 . 1 . . . A 55 LEU HD21 . 25564 1 590 . 1 1 55 55 LEU HD22 H 1 0.983 0.008 . 1 . . . A 55 LEU HD22 . 25564 1 591 . 1 1 55 55 LEU HD23 H 1 0.983 0.008 . 1 . . . A 55 LEU HD23 . 25564 1 592 . 1 1 55 55 LEU C C 13 175.121 0.000 . 1 . . . A 55 LEU C . 25564 1 593 . 1 1 55 55 LEU CA C 13 54.006 0.072 . 1 . . . A 55 LEU CA . 25564 1 594 . 1 1 55 55 LEU CB C 13 45.736 0.040 . 1 . . . A 55 LEU CB . 25564 1 595 . 1 1 55 55 LEU CG C 13 24.244 0.054 . 1 . . . A 55 LEU CG . 25564 1 596 . 1 1 55 55 LEU CD1 C 13 26.443 0.041 . 1 . . . A 55 LEU CD1 . 25564 1 597 . 1 1 55 55 LEU CD2 C 13 26.443 0.041 . 1 . . . A 55 LEU CD2 . 25564 1 598 . 1 1 55 55 LEU N N 15 125.745 0.059 . 1 . . . A 55 LEU N . 25564 1 599 . 1 1 56 56 ASN H H 1 8.727 0.010 . 1 . . . A 56 ASN H . 25564 1 600 . 1 1 56 56 ASN HA H 1 5.564 0.009 . 1 . . . A 56 ASN HA . 25564 1 601 . 1 1 56 56 ASN HB2 H 1 2.703 0.012 . 1 . . . A 56 ASN HB2 . 25564 1 602 . 1 1 56 56 ASN HB3 H 1 2.703 0.012 . 1 . . . A 56 ASN HB3 . 25564 1 603 . 1 1 56 56 ASN HD21 H 1 7.485 0.006 . 1 . . . A 56 ASN HD21 . 25564 1 604 . 1 1 56 56 ASN HD22 H 1 7.285 0.007 . 1 . . . A 56 ASN HD22 . 25564 1 605 . 1 1 56 56 ASN C C 13 174.180 0.000 . 1 . . . A 56 ASN C . 25564 1 606 . 1 1 56 56 ASN CA C 13 53.275 0.107 . 1 . . . A 56 ASN CA . 25564 1 607 . 1 1 56 56 ASN CB C 13 41.451 0.056 . 1 . . . A 56 ASN CB . 25564 1 608 . 1 1 56 56 ASN CG C 13 177.180 0.000 . 1 . . . A 56 ASN CG . 25564 1 609 . 1 1 56 56 ASN N N 15 120.517 0.038 . 1 . . . A 56 ASN N . 25564 1 610 . 1 1 56 56 ASN ND2 N 15 113.384 0.088 . 1 . . . A 56 ASN ND2 . 25564 1 611 . 1 1 57 57 LEU H H 1 9.075 0.008 . 1 . . . A 57 LEU H . 25564 1 612 . 1 1 57 57 LEU HA H 1 5.135 0.006 . 1 . . . A 57 LEU HA . 25564 1 613 . 1 1 57 57 LEU HB2 H 1 1.800 0.007 . 2 . . . A 57 LEU HB2 . 25564 1 614 . 1 1 57 57 LEU HB3 H 1 1.925 0.009 . 2 . . . A 57 LEU HB3 . 25564 1 615 . 1 1 57 57 LEU HG H 1 1.718 0.010 . 1 . . . A 57 LEU HG . 25564 1 616 . 1 1 57 57 LEU HD11 H 1 1.015 0.006 . 2 . . . A 57 LEU HD11 . 25564 1 617 . 1 1 57 57 LEU HD12 H 1 1.015 0.006 . 2 . . . A 57 LEU HD12 . 25564 1 618 . 1 1 57 57 LEU HD13 H 1 1.015 0.006 . 2 . . . A 57 LEU HD13 . 25564 1 619 . 1 1 57 57 LEU HD21 H 1 1.090 0.005 . 2 . . . A 57 LEU HD21 . 25564 1 620 . 1 1 57 57 LEU HD22 H 1 1.090 0.005 . 2 . . . A 57 LEU HD22 . 25564 1 621 . 1 1 57 57 LEU HD23 H 1 1.090 0.005 . 2 . . . A 57 LEU HD23 . 25564 1 622 . 1 1 57 57 LEU C C 13 174.960 0.000 . 1 . . . A 57 LEU C . 25564 1 623 . 1 1 57 57 LEU CA C 13 52.125 0.065 . 1 . . . A 57 LEU CA . 25564 1 624 . 1 1 57 57 LEU CB C 13 44.808 0.030 . 1 . . . A 57 LEU CB . 25564 1 625 . 1 1 57 57 LEU CG C 13 27.813 0.158 . 1 . . . A 57 LEU CG . 25564 1 626 . 1 1 57 57 LEU CD1 C 13 26.822 0.033 . 2 . . . A 57 LEU CD1 . 25564 1 627 . 1 1 57 57 LEU CD2 C 13 23.756 0.043 . 2 . . . A 57 LEU CD2 . 25564 1 628 . 1 1 57 57 LEU N N 15 123.534 0.041 . 1 . . . A 57 LEU N . 25564 1 629 . 1 1 58 58 PRO HA H 1 5.055 0.007 . 1 . . . A 58 PRO HA . 25564 1 630 . 1 1 58 58 PRO HB2 H 1 2.280 0.013 . 1 . . . A 58 PRO HB2 . 25564 1 631 . 1 1 58 58 PRO HB3 H 1 2.571 0.005 . 1 . . . A 58 PRO HB3 . 25564 1 632 . 1 1 58 58 PRO HG2 H 1 2.227 0.014 . 2 . . . A 58 PRO HG2 . 25564 1 633 . 1 1 58 58 PRO HG3 H 1 2.037 0.010 . 2 . . . A 58 PRO HG3 . 25564 1 634 . 1 1 58 58 PRO HD2 H 1 3.940 0.011 . 2 . . . A 58 PRO HD2 . 25564 1 635 . 1 1 58 58 PRO HD3 H 1 3.880 0.011 . 2 . . . A 58 PRO HD3 . 25564 1 636 . 1 1 58 58 PRO C C 13 176.897 0.000 . 1 . . . A 58 PRO C . 25564 1 637 . 1 1 58 58 PRO CA C 13 62.590 0.070 . 1 . . . A 58 PRO CA . 25564 1 638 . 1 1 58 58 PRO CB C 13 33.867 0.050 . 1 . . . A 58 PRO CB . 25564 1 639 . 1 1 58 58 PRO CG C 13 27.273 0.060 . 1 . . . A 58 PRO CG . 25564 1 640 . 1 1 58 58 PRO CD C 13 50.490 0.099 . 1 . . . A 58 PRO CD . 25564 1 641 . 1 1 59 59 GLU H H 1 8.905 0.006 . 1 . . . A 59 GLU H . 25564 1 642 . 1 1 59 59 GLU HA H 1 3.981 0.007 . 1 . . . A 59 GLU HA . 25564 1 643 . 1 1 59 59 GLU HB2 H 1 1.706 0.010 . 2 . . . A 59 GLU HB2 . 25564 1 644 . 1 1 59 59 GLU HB3 H 1 2.128 0.008 . 2 . . . A 59 GLU HB3 . 25564 1 645 . 1 1 59 59 GLU HG2 H 1 2.368 0.007 . 2 . . . A 59 GLU HG2 . 25564 1 646 . 1 1 59 59 GLU HG3 H 1 2.329 0.015 . 2 . . . A 59 GLU HG3 . 25564 1 647 . 1 1 59 59 GLU C C 13 175.246 0.000 . 1 . . . A 59 GLU C . 25564 1 648 . 1 1 59 59 GLU CA C 13 58.905 0.054 . 1 . . . A 59 GLU CA . 25564 1 649 . 1 1 59 59 GLU CB C 13 28.924 0.040 . 1 . . . A 59 GLU CB . 25564 1 650 . 1 1 59 59 GLU CG C 13 35.032 0.036 . 1 . . . A 59 GLU CG . 25564 1 651 . 1 1 59 59 GLU N N 15 117.522 0.057 . 1 . . . A 59 GLU N . 25564 1 652 . 1 1 60 60 THR H H 1 7.056 0.005 . 1 . . . A 60 THR H . 25564 1 653 . 1 1 60 60 THR HA H 1 4.155 0.004 . 1 . . . A 60 THR HA . 25564 1 654 . 1 1 60 60 THR HB H 1 4.475 0.005 . 1 . . . A 60 THR HB . 25564 1 655 . 1 1 60 60 THR HG21 H 1 1.318 0.005 . 1 . . . A 60 THR HG21 . 25564 1 656 . 1 1 60 60 THR HG22 H 1 1.318 0.005 . 1 . . . A 60 THR HG22 . 25564 1 657 . 1 1 60 60 THR HG23 H 1 1.318 0.005 . 1 . . . A 60 THR HG23 . 25564 1 658 . 1 1 60 60 THR C C 13 175.087 0.000 . 1 . . . A 60 THR C . 25564 1 659 . 1 1 60 60 THR CA C 13 61.646 0.043 . 1 . . . A 60 THR CA . 25564 1 660 . 1 1 60 60 THR CB C 13 69.638 0.068 . 1 . . . A 60 THR CB . 25564 1 661 . 1 1 60 60 THR CG2 C 13 22.803 0.029 . 1 . . . A 60 THR CG2 . 25564 1 662 . 1 1 60 60 THR N N 15 106.153 0.061 . 1 . . . A 60 THR N . 25564 1 663 . 1 1 61 61 ALA H H 1 7.808 0.007 . 1 . . . A 61 ALA H . 25564 1 664 . 1 1 61 61 ALA HA H 1 4.350 0.005 . 1 . . . A 61 ALA HA . 25564 1 665 . 1 1 61 61 ALA HB1 H 1 1.719 0.004 . 1 . . . A 61 ALA HB1 . 25564 1 666 . 1 1 61 61 ALA HB2 H 1 1.719 0.004 . 1 . . . A 61 ALA HB2 . 25564 1 667 . 1 1 61 61 ALA HB3 H 1 1.719 0.004 . 1 . . . A 61 ALA HB3 . 25564 1 668 . 1 1 61 61 ALA C C 13 176.988 0.000 . 1 . . . A 61 ALA C . 25564 1 669 . 1 1 61 61 ALA CA C 13 53.470 0.034 . 1 . . . A 61 ALA CA . 25564 1 670 . 1 1 61 61 ALA CB C 13 21.224 0.039 . 1 . . . A 61 ALA CB . 25564 1 671 . 1 1 61 61 ALA N N 15 125.590 0.067 . 1 . . . A 61 ALA N . 25564 1 672 . 1 1 62 62 ASN HA H 1 3.663 0.005 . 1 . . . A 62 ASN HA . 25564 1 673 . 1 1 62 62 ASN HB2 H 1 2.543 0.013 . 2 . . . A 62 ASN HB2 . 25564 1 674 . 1 1 62 62 ASN HB3 H 1 2.611 0.012 . 2 . . . A 62 ASN HB3 . 25564 1 675 . 1 1 62 62 ASN HD21 H 1 7.310 0.008 . 1 . . . A 62 ASN HD21 . 25564 1 676 . 1 1 62 62 ASN HD22 H 1 6.332 0.007 . 1 . . . A 62 ASN HD22 . 25564 1 677 . 1 1 62 62 ASN C C 13 171.666 0.000 . 1 . . . A 62 ASN C . 25564 1 678 . 1 1 62 62 ASN CA C 13 52.178 0.037 . 1 . . . A 62 ASN CA . 25564 1 679 . 1 1 62 62 ASN CB C 13 39.676 0.049 . 1 . . . A 62 ASN CB . 25564 1 680 . 1 1 62 62 ASN CG C 13 178.373 0.000 . 1 . . . A 62 ASN CG . 25564 1 681 . 1 1 62 62 ASN ND2 N 15 109.633 0.087 . 1 . . . A 62 ASN ND2 . 25564 1 682 . 1 1 63 63 SER H H 1 6.764 0.007 . 1 . . . A 63 SER H . 25564 1 683 . 1 1 63 63 SER HA H 1 4.341 0.010 . 1 . . . A 63 SER HA . 25564 1 684 . 1 1 63 63 SER HB2 H 1 3.456 0.007 . 1 . . . A 63 SER HB2 . 25564 1 685 . 1 1 63 63 SER HB3 H 1 3.456 0.007 . 1 . . . A 63 SER HB3 . 25564 1 686 . 1 1 63 63 SER C C 13 172.378 0.000 . 1 . . . A 63 SER C . 25564 1 687 . 1 1 63 63 SER CA C 13 56.541 0.111 . 1 . . . A 63 SER CA . 25564 1 688 . 1 1 63 63 SER CB C 13 65.498 0.043 . 1 . . . A 63 SER CB . 25564 1 689 . 1 1 63 63 SER N N 15 109.802 0.070 . 1 . . . A 63 SER N . 25564 1 690 . 1 1 64 64 VAL H H 1 8.793 0.007 . 1 . . . A 64 VAL H . 25564 1 691 . 1 1 64 64 VAL HA H 1 4.440 0.005 . 1 . . . A 64 VAL HA . 25564 1 692 . 1 1 64 64 VAL HB H 1 2.218 0.008 . 1 . . . A 64 VAL HB . 25564 1 693 . 1 1 64 64 VAL HG11 H 1 0.926 0.007 . 2 . . . A 64 VAL HG11 . 25564 1 694 . 1 1 64 64 VAL HG12 H 1 0.926 0.007 . 2 . . . A 64 VAL HG12 . 25564 1 695 . 1 1 64 64 VAL HG13 H 1 0.926 0.007 . 2 . . . A 64 VAL HG13 . 25564 1 696 . 1 1 64 64 VAL HG21 H 1 1.041 0.003 . 2 . . . A 64 VAL HG21 . 25564 1 697 . 1 1 64 64 VAL HG22 H 1 1.041 0.003 . 2 . . . A 64 VAL HG22 . 25564 1 698 . 1 1 64 64 VAL HG23 H 1 1.041 0.003 . 2 . . . A 64 VAL HG23 . 25564 1 699 . 1 1 64 64 VAL C C 13 171.395 0.000 . 1 . . . A 64 VAL C . 25564 1 700 . 1 1 64 64 VAL CA C 13 60.744 0.065 . 1 . . . A 64 VAL CA . 25564 1 701 . 1 1 64 64 VAL CB C 13 35.091 0.081 . 1 . . . A 64 VAL CB . 25564 1 702 . 1 1 64 64 VAL CG1 C 13 19.352 0.029 . 2 . . . A 64 VAL CG1 . 25564 1 703 . 1 1 64 64 VAL CG2 C 13 22.727 0.079 . 2 . . . A 64 VAL CG2 . 25564 1 704 . 1 1 64 64 VAL N N 15 117.873 0.080 . 1 . . . A 64 VAL N . 25564 1 705 . 1 1 65 65 THR H H 1 8.377 0.006 . 1 . . . A 65 THR H . 25564 1 706 . 1 1 65 65 THR HA H 1 4.703 0.016 . 1 . . . A 65 THR HA . 25564 1 707 . 1 1 65 65 THR HB H 1 3.946 0.007 . 1 . . . A 65 THR HB . 25564 1 708 . 1 1 65 65 THR HG21 H 1 0.937 0.005 . 1 . . . A 65 THR HG21 . 25564 1 709 . 1 1 65 65 THR HG22 H 1 0.937 0.005 . 1 . . . A 65 THR HG22 . 25564 1 710 . 1 1 65 65 THR HG23 H 1 0.937 0.005 . 1 . . . A 65 THR HG23 . 25564 1 711 . 1 1 65 65 THR C C 13 173.608 0.000 . 1 . . . A 65 THR C . 25564 1 712 . 1 1 65 65 THR CA C 13 62.094 0.071 . 1 . . . A 65 THR CA . 25564 1 713 . 1 1 65 65 THR CB C 13 69.754 0.072 . 1 . . . A 65 THR CB . 25564 1 714 . 1 1 65 65 THR CG2 C 13 21.109 0.107 . 1 . . . A 65 THR CG2 . 25564 1 715 . 1 1 65 65 THR N N 15 123.328 0.044 . 1 . . . A 65 THR N . 25564 1 716 . 1 1 66 66 LEU H H 1 9.232 0.009 . 1 . . . A 66 LEU H . 25564 1 717 . 1 1 66 66 LEU HA H 1 4.351 0.008 . 1 . . . A 66 LEU HA . 25564 1 718 . 1 1 66 66 LEU HB2 H 1 0.553 0.008 . 2 . . . A 66 LEU HB2 . 25564 1 719 . 1 1 66 66 LEU HB3 H 1 1.646 0.008 . 2 . . . A 66 LEU HB3 . 25564 1 720 . 1 1 66 66 LEU HG H 1 1.306 0.009 . 1 . . . A 66 LEU HG . 25564 1 721 . 1 1 66 66 LEU HD11 H 1 0.216 0.011 . 2 . . . A 66 LEU HD11 . 25564 1 722 . 1 1 66 66 LEU HD12 H 1 0.216 0.011 . 2 . . . A 66 LEU HD12 . 25564 1 723 . 1 1 66 66 LEU HD13 H 1 0.216 0.011 . 2 . . . A 66 LEU HD13 . 25564 1 724 . 1 1 66 66 LEU HD21 H 1 0.246 0.009 . 2 . . . A 66 LEU HD21 . 25564 1 725 . 1 1 66 66 LEU HD22 H 1 0.246 0.009 . 2 . . . A 66 LEU HD22 . 25564 1 726 . 1 1 66 66 LEU HD23 H 1 0.246 0.009 . 2 . . . A 66 LEU HD23 . 25564 1 727 . 1 1 66 66 LEU C C 13 174.738 0.000 . 1 . . . A 66 LEU C . 25564 1 728 . 1 1 66 66 LEU CA C 13 53.558 0.048 . 1 . . . A 66 LEU CA . 25564 1 729 . 1 1 66 66 LEU CB C 13 41.206 0.058 . 1 . . . A 66 LEU CB . 25564 1 730 . 1 1 66 66 LEU CG C 13 26.613 0.036 . 1 . . . A 66 LEU CG . 25564 1 731 . 1 1 66 66 LEU CD1 C 13 25.335 0.052 . 2 . . . A 66 LEU CD1 . 25564 1 732 . 1 1 66 66 LEU CD2 C 13 23.845 0.035 . 2 . . . A 66 LEU CD2 . 25564 1 733 . 1 1 66 66 LEU N N 15 130.029 0.057 . 1 . . . A 66 LEU N . 25564 1 734 . 1 1 67 67 SER H H 1 8.174 0.007 . 1 . . . A 67 SER H . 25564 1 735 . 1 1 67 67 SER HA H 1 4.936 0.006 . 1 . . . A 67 SER HA . 25564 1 736 . 1 1 67 67 SER HB2 H 1 3.663 0.006 . 2 . . . A 67 SER HB2 . 25564 1 737 . 1 1 67 67 SER HB3 H 1 3.775 0.008 . 2 . . . A 67 SER HB3 . 25564 1 738 . 1 1 67 67 SER C C 13 172.509 0.000 . 1 . . . A 67 SER C . 25564 1 739 . 1 1 67 67 SER CA C 13 57.340 0.064 . 1 . . . A 67 SER CA . 25564 1 740 . 1 1 67 67 SER CB C 13 66.115 0.055 . 1 . . . A 67 SER CB . 25564 1 741 . 1 1 67 67 SER N N 15 117.107 0.072 . 1 . . . A 67 SER N . 25564 1 742 . 1 1 68 68 ASP H H 1 9.003 0.006 . 1 . . . A 68 ASP H . 25564 1 743 . 1 1 68 68 ASP HA H 1 4.354 0.007 . 1 . . . A 68 ASP HA . 25564 1 744 . 1 1 68 68 ASP HB2 H 1 2.729 0.007 . 2 . . . A 68 ASP HB2 . 25564 1 745 . 1 1 68 68 ASP HB3 H 1 2.952 0.006 . 2 . . . A 68 ASP HB3 . 25564 1 746 . 1 1 68 68 ASP C C 13 175.654 0.000 . 1 . . . A 68 ASP C . 25564 1 747 . 1 1 68 68 ASP CA C 13 55.602 0.080 . 1 . . . A 68 ASP CA . 25564 1 748 . 1 1 68 68 ASP CB C 13 39.714 0.021 . 1 . . . A 68 ASP CB . 25564 1 749 . 1 1 68 68 ASP N N 15 116.924 0.054 . 1 . . . A 68 ASP N . 25564 1 750 . 1 1 69 69 LEU H H 1 8.605 0.010 . 1 . . . A 69 LEU H . 25564 1 751 . 1 1 69 69 LEU HA H 1 4.336 0.006 . 1 . . . A 69 LEU HA . 25564 1 752 . 1 1 69 69 LEU HB2 H 1 0.995 0.014 . 2 . . . A 69 LEU HB2 . 25564 1 753 . 1 1 69 69 LEU HB3 H 1 1.374 0.010 . 2 . . . A 69 LEU HB3 . 25564 1 754 . 1 1 69 69 LEU HG H 1 1.059 0.014 . 1 . . . A 69 LEU HG . 25564 1 755 . 1 1 69 69 LEU HD11 H 1 -0.068 0.006 . 2 . . . A 69 LEU HD11 . 25564 1 756 . 1 1 69 69 LEU HD12 H 1 -0.068 0.006 . 2 . . . A 69 LEU HD12 . 25564 1 757 . 1 1 69 69 LEU HD13 H 1 -0.068 0.006 . 2 . . . A 69 LEU HD13 . 25564 1 758 . 1 1 69 69 LEU HD21 H 1 0.170 0.005 . 2 . . . A 69 LEU HD21 . 25564 1 759 . 1 1 69 69 LEU HD22 H 1 0.170 0.005 . 2 . . . A 69 LEU HD22 . 25564 1 760 . 1 1 69 69 LEU HD23 H 1 0.170 0.005 . 2 . . . A 69 LEU HD23 . 25564 1 761 . 1 1 69 69 LEU C C 13 175.793 0.000 . 1 . . . A 69 LEU C . 25564 1 762 . 1 1 69 69 LEU CA C 13 53.547 0.040 . 1 . . . A 69 LEU CA . 25564 1 763 . 1 1 69 69 LEU CB C 13 41.034 0.039 . 1 . . . A 69 LEU CB . 25564 1 764 . 1 1 69 69 LEU CG C 13 25.860 0.000 . 1 . . . A 69 LEU CG . 25564 1 765 . 1 1 69 69 LEU CD1 C 13 25.955 0.041 . 2 . . . A 69 LEU CD1 . 25564 1 766 . 1 1 69 69 LEU CD2 C 13 20.638 0.037 . 2 . . . A 69 LEU CD2 . 25564 1 767 . 1 1 69 69 LEU N N 15 116.713 0.054 . 1 . . . A 69 LEU N . 25564 1 768 . 1 1 70 70 GLN H H 1 8.288 0.008 . 1 . . . A 70 GLN H . 25564 1 769 . 1 1 70 70 GLN HA H 1 4.766 0.010 . 1 . . . A 70 GLN HA . 25564 1 770 . 1 1 70 70 GLN HB2 H 1 1.955 0.064 . 2 . . . A 70 GLN HB2 . 25564 1 771 . 1 1 70 70 GLN HB3 H 1 2.214 0.008 . 2 . . . A 70 GLN HB3 . 25564 1 772 . 1 1 70 70 GLN HG2 H 1 2.493 0.013 . 2 . . . A 70 GLN HG2 . 25564 1 773 . 1 1 70 70 GLN HG3 H 1 2.418 0.003 . 2 . . . A 70 GLN HG3 . 25564 1 774 . 1 1 70 70 GLN HE21 H 1 7.531 0.007 . 1 . . . A 70 GLN HE21 . 25564 1 775 . 1 1 70 70 GLN HE22 H 1 6.914 0.030 . 1 . . . A 70 GLN HE22 . 25564 1 776 . 1 1 70 70 GLN C C 13 174.178 0.000 . 1 . . . A 70 GLN C . 25564 1 777 . 1 1 70 70 GLN CA C 13 52.948 0.135 . 1 . . . A 70 GLN CA . 25564 1 778 . 1 1 70 70 GLN CB C 13 30.626 0.057 . 1 . . . A 70 GLN CB . 25564 1 779 . 1 1 70 70 GLN CG C 13 34.052 0.095 . 1 . . . A 70 GLN CG . 25564 1 780 . 1 1 70 70 GLN CD C 13 180.712 0.000 . 1 . . . A 70 GLN CD . 25564 1 781 . 1 1 70 70 GLN N N 15 118.301 0.045 . 1 . . . A 70 GLN N . 25564 1 782 . 1 1 70 70 GLN NE2 N 15 112.565 0.046 . 1 . . . A 70 GLN NE2 . 25564 1 783 . 1 1 71 71 PRO HA H 1 5.252 0.012 . 1 . . . A 71 PRO HA . 25564 1 784 . 1 1 71 71 PRO HB2 H 1 1.847 0.008 . 1 . . . A 71 PRO HB2 . 25564 1 785 . 1 1 71 71 PRO HB3 H 1 2.376 0.004 . 1 . . . A 71 PRO HB3 . 25564 1 786 . 1 1 71 71 PRO HG2 H 1 2.054 0.007 . 2 . . . A 71 PRO HG2 . 25564 1 787 . 1 1 71 71 PRO HG3 H 1 1.954 0.007 . 2 . . . A 71 PRO HG3 . 25564 1 788 . 1 1 71 71 PRO HD2 H 1 3.794 0.015 . 2 . . . A 71 PRO HD2 . 25564 1 789 . 1 1 71 71 PRO HD3 H 1 3.737 0.011 . 2 . . . A 71 PRO HD3 . 25564 1 790 . 1 1 71 71 PRO C C 13 177.837 0.000 . 1 . . . A 71 PRO C . 25564 1 791 . 1 1 71 71 PRO CA C 13 63.098 0.108 . 1 . . . A 71 PRO CA . 25564 1 792 . 1 1 71 71 PRO CB C 13 33.393 0.072 . 1 . . . A 71 PRO CB . 25564 1 793 . 1 1 71 71 PRO CG C 13 27.719 0.076 . 1 . . . A 71 PRO CG . 25564 1 794 . 1 1 71 71 PRO CD C 13 51.328 0.105 . 1 . . . A 71 PRO CD . 25564 1 795 . 1 1 72 72 GLY H H 1 7.348 0.007 . 1 . . . A 72 GLY H . 25564 1 796 . 1 1 72 72 GLY HA2 H 1 3.586 0.011 . 2 . . . A 72 GLY HA2 . 25564 1 797 . 1 1 72 72 GLY HA3 H 1 3.485 0.007 . 2 . . . A 72 GLY HA3 . 25564 1 798 . 1 1 72 72 GLY C C 13 174.621 0.000 . 1 . . . A 72 GLY C . 25564 1 799 . 1 1 72 72 GLY CA C 13 47.226 0.045 . 1 . . . A 72 GLY CA . 25564 1 800 . 1 1 72 72 GLY N N 15 111.077 0.071 . 1 . . . A 72 GLY N . 25564 1 801 . 1 1 73 73 VAL H H 1 7.670 0.007 . 1 . . . A 73 VAL H . 25564 1 802 . 1 1 73 73 VAL HA H 1 4.112 0.008 . 1 . . . A 73 VAL HA . 25564 1 803 . 1 1 73 73 VAL HB H 1 1.959 0.004 . 1 . . . A 73 VAL HB . 25564 1 804 . 1 1 73 73 VAL HG11 H 1 0.466 0.004 . 2 . . . A 73 VAL HG11 . 25564 1 805 . 1 1 73 73 VAL HG12 H 1 0.466 0.004 . 2 . . . A 73 VAL HG12 . 25564 1 806 . 1 1 73 73 VAL HG13 H 1 0.466 0.004 . 2 . . . A 73 VAL HG13 . 25564 1 807 . 1 1 73 73 VAL HG21 H 1 0.787 0.005 . 2 . . . A 73 VAL HG21 . 25564 1 808 . 1 1 73 73 VAL HG22 H 1 0.787 0.005 . 2 . . . A 73 VAL HG22 . 25564 1 809 . 1 1 73 73 VAL HG23 H 1 0.787 0.005 . 2 . . . A 73 VAL HG23 . 25564 1 810 . 1 1 73 73 VAL C C 13 173.963 0.000 . 1 . . . A 73 VAL C . 25564 1 811 . 1 1 73 73 VAL CA C 13 61.694 0.045 . 1 . . . A 73 VAL CA . 25564 1 812 . 1 1 73 73 VAL CB C 13 35.423 0.052 . 1 . . . A 73 VAL CB . 25564 1 813 . 1 1 73 73 VAL CG1 C 13 21.595 0.026 . 2 . . . A 73 VAL CG1 . 25564 1 814 . 1 1 73 73 VAL CG2 C 13 23.013 0.049 . 2 . . . A 73 VAL CG2 . 25564 1 815 . 1 1 73 73 VAL N N 15 120.434 0.078 . 1 . . . A 73 VAL N . 25564 1 816 . 1 1 74 74 GLN H H 1 8.263 0.009 . 1 . . . A 74 GLN H . 25564 1 817 . 1 1 74 74 GLN HA H 1 4.207 0.006 . 1 . . . A 74 GLN HA . 25564 1 818 . 1 1 74 74 GLN HB2 H 1 1.923 0.011 . 2 . . . A 74 GLN HB2 . 25564 1 819 . 1 1 74 74 GLN HB3 H 1 2.022 0.017 . 2 . . . A 74 GLN HB3 . 25564 1 820 . 1 1 74 74 GLN HG2 H 1 1.999 0.005 . 2 . . . A 74 GLN HG2 . 25564 1 821 . 1 1 74 74 GLN HG3 H 1 1.906 0.004 . 2 . . . A 74 GLN HG3 . 25564 1 822 . 1 1 74 74 GLN HE21 H 1 7.664 0.007 . 1 . . . A 74 GLN HE21 . 25564 1 823 . 1 1 74 74 GLN HE22 H 1 6.756 0.006 . 1 . . . A 74 GLN HE22 . 25564 1 824 . 1 1 74 74 GLN C C 13 174.283 0.000 . 1 . . . A 74 GLN C . 25564 1 825 . 1 1 74 74 GLN CA C 13 56.505 0.089 . 1 . . . A 74 GLN CA . 25564 1 826 . 1 1 74 74 GLN CB C 13 30.475 0.059 . 1 . . . A 74 GLN CB . 25564 1 827 . 1 1 74 74 GLN CG C 13 35.014 0.094 . 1 . . . A 74 GLN CG . 25564 1 828 . 1 1 74 74 GLN CD C 13 179.514 0.000 . 1 . . . A 74 GLN CD . 25564 1 829 . 1 1 74 74 GLN N N 15 123.606 0.074 . 1 . . . A 74 GLN N . 25564 1 830 . 1 1 74 74 GLN NE2 N 15 112.657 0.072 . 1 . . . A 74 GLN NE2 . 25564 1 831 . 1 1 75 75 TYR H H 1 8.916 0.006 . 1 . . . A 75 TYR H . 25564 1 832 . 1 1 75 75 TYR HA H 1 4.740 0.014 . 1 . . . A 75 TYR HA . 25564 1 833 . 1 1 75 75 TYR HB2 H 1 2.544 0.007 . 2 . . . A 75 TYR HB2 . 25564 1 834 . 1 1 75 75 TYR HB3 H 1 2.936 0.005 . 2 . . . A 75 TYR HB3 . 25564 1 835 . 1 1 75 75 TYR HD1 H 1 7.044 0.042 . 3 . . . A 75 TYR HD1 . 25564 1 836 . 1 1 75 75 TYR HD2 H 1 7.044 0.042 . 3 . . . A 75 TYR HD2 . 25564 1 837 . 1 1 75 75 TYR HE1 H 1 6.803 0.017 . 3 . . . A 75 TYR HE1 . 25564 1 838 . 1 1 75 75 TYR HE2 H 1 6.803 0.017 . 3 . . . A 75 TYR HE2 . 25564 1 839 . 1 1 75 75 TYR C C 13 174.412 0.000 . 1 . . . A 75 TYR C . 25564 1 840 . 1 1 75 75 TYR CA C 13 59.183 0.048 . 1 . . . A 75 TYR CA . 25564 1 841 . 1 1 75 75 TYR CB C 13 40.881 0.035 . 1 . . . A 75 TYR CB . 25564 1 842 . 1 1 75 75 TYR CD1 C 13 134.014 0.000 . 3 . . . A 75 TYR CD1 . 25564 1 843 . 1 1 75 75 TYR CD2 C 13 134.014 0.000 . 3 . . . A 75 TYR CD2 . 25564 1 844 . 1 1 75 75 TYR CE1 C 13 119.002 0.000 . 3 . . . A 75 TYR CE1 . 25564 1 845 . 1 1 75 75 TYR CE2 C 13 119.002 0.000 . 3 . . . A 75 TYR CE2 . 25564 1 846 . 1 1 75 75 TYR N N 15 127.153 0.082 . 1 . . . A 75 TYR N . 25564 1 847 . 1 1 76 76 ASN H H 1 9.014 0.006 . 1 . . . A 76 ASN H . 25564 1 848 . 1 1 76 76 ASN HA H 1 5.193 0.005 . 1 . . . A 76 ASN HA . 25564 1 849 . 1 1 76 76 ASN HB2 H 1 2.622 0.005 . 2 . . . A 76 ASN HB2 . 25564 1 850 . 1 1 76 76 ASN HB3 H 1 2.727 0.007 . 2 . . . A 76 ASN HB3 . 25564 1 851 . 1 1 76 76 ASN HD21 H 1 7.360 0.006 . 1 . . . A 76 ASN HD21 . 25564 1 852 . 1 1 76 76 ASN HD22 H 1 6.833 0.005 . 1 . . . A 76 ASN HD22 . 25564 1 853 . 1 1 76 76 ASN C C 13 174.903 0.000 . 1 . . . A 76 ASN C . 25564 1 854 . 1 1 76 76 ASN CA C 13 52.839 0.022 . 1 . . . A 76 ASN CA . 25564 1 855 . 1 1 76 76 ASN CB C 13 40.339 0.093 . 1 . . . A 76 ASN CB . 25564 1 856 . 1 1 76 76 ASN CG C 13 176.466 0.000 . 1 . . . A 76 ASN CG . 25564 1 857 . 1 1 76 76 ASN N N 15 120.363 0.047 . 1 . . . A 76 ASN N . 25564 1 858 . 1 1 76 76 ASN ND2 N 15 112.427 0.082 . 1 . . . A 76 ASN ND2 . 25564 1 859 . 1 1 77 77 ILE H H 1 9.466 0.007 . 1 . . . A 77 ILE H . 25564 1 860 . 1 1 77 77 ILE HA H 1 4.648 0.009 . 1 . . . A 77 ILE HA . 25564 1 861 . 1 1 77 77 ILE HB H 1 1.813 0.006 . 1 . . . A 77 ILE HB . 25564 1 862 . 1 1 77 77 ILE HG12 H 1 1.520 0.006 . 2 . . . A 77 ILE HG12 . 25564 1 863 . 1 1 77 77 ILE HG13 H 1 0.752 0.006 . 2 . . . A 77 ILE HG13 . 25564 1 864 . 1 1 77 77 ILE HG21 H 1 0.702 0.013 . 1 . . . A 77 ILE HG21 . 25564 1 865 . 1 1 77 77 ILE HG22 H 1 0.702 0.013 . 1 . . . A 77 ILE HG22 . 25564 1 866 . 1 1 77 77 ILE HG23 H 1 0.702 0.013 . 1 . . . A 77 ILE HG23 . 25564 1 867 . 1 1 77 77 ILE HD11 H 1 0.651 0.012 . 1 . . . A 77 ILE HD11 . 25564 1 868 . 1 1 77 77 ILE HD12 H 1 0.651 0.012 . 1 . . . A 77 ILE HD12 . 25564 1 869 . 1 1 77 77 ILE HD13 H 1 0.651 0.012 . 1 . . . A 77 ILE HD13 . 25564 1 870 . 1 1 77 77 ILE C C 13 173.510 0.000 . 1 . . . A 77 ILE C . 25564 1 871 . 1 1 77 77 ILE CA C 13 61.356 0.022 . 1 . . . A 77 ILE CA . 25564 1 872 . 1 1 77 77 ILE CB C 13 40.911 0.033 . 1 . . . A 77 ILE CB . 25564 1 873 . 1 1 77 77 ILE CG1 C 13 27.712 0.042 . 1 . . . A 77 ILE CG1 . 25564 1 874 . 1 1 77 77 ILE CG2 C 13 17.828 0.009 . 1 . . . A 77 ILE CG2 . 25564 1 875 . 1 1 77 77 ILE CD1 C 13 15.230 0.076 . 1 . . . A 77 ILE CD1 . 25564 1 876 . 1 1 77 77 ILE N N 15 127.376 0.058 . 1 . . . A 77 ILE N . 25564 1 877 . 1 1 78 78 THR H H 1 9.535 0.008 . 1 . . . A 78 THR H . 25564 1 878 . 1 1 78 78 THR HA H 1 5.117 0.005 . 1 . . . A 78 THR HA . 25564 1 879 . 1 1 78 78 THR HB H 1 3.991 0.009 . 1 . . . A 78 THR HB . 25564 1 880 . 1 1 78 78 THR HG21 H 1 0.774 0.009 . 1 . . . A 78 THR HG21 . 25564 1 881 . 1 1 78 78 THR HG22 H 1 0.774 0.009 . 1 . . . A 78 THR HG22 . 25564 1 882 . 1 1 78 78 THR HG23 H 1 0.774 0.009 . 1 . . . A 78 THR HG23 . 25564 1 883 . 1 1 78 78 THR C C 13 173.140 0.000 . 1 . . . A 78 THR C . 25564 1 884 . 1 1 78 78 THR CA C 13 61.961 0.054 . 1 . . . A 78 THR CA . 25564 1 885 . 1 1 78 78 THR CB C 13 70.244 0.080 . 1 . . . A 78 THR CB . 25564 1 886 . 1 1 78 78 THR CG2 C 13 22.884 0.043 . 1 . . . A 78 THR CG2 . 25564 1 887 . 1 1 78 78 THR N N 15 124.282 0.052 . 1 . . . A 78 THR N . 25564 1 888 . 1 1 79 79 ILE H H 1 8.974 0.010 . 1 . . . A 79 ILE H . 25564 1 889 . 1 1 79 79 ILE HA H 1 4.591 0.010 . 1 . . . A 79 ILE HA . 25564 1 890 . 1 1 79 79 ILE HB H 1 1.277 0.009 . 1 . . . A 79 ILE HB . 25564 1 891 . 1 1 79 79 ILE HG12 H 1 1.290 0.006 . 2 . . . A 79 ILE HG12 . 25564 1 892 . 1 1 79 79 ILE HG13 H 1 0.515 0.009 . 2 . . . A 79 ILE HG13 . 25564 1 893 . 1 1 79 79 ILE HG21 H 1 0.081 0.009 . 1 . . . A 79 ILE HG21 . 25564 1 894 . 1 1 79 79 ILE HG22 H 1 0.081 0.009 . 1 . . . A 79 ILE HG22 . 25564 1 895 . 1 1 79 79 ILE HG23 H 1 0.081 0.009 . 1 . . . A 79 ILE HG23 . 25564 1 896 . 1 1 79 79 ILE HD11 H 1 0.276 0.008 . 1 . . . A 79 ILE HD11 . 25564 1 897 . 1 1 79 79 ILE HD12 H 1 0.276 0.008 . 1 . . . A 79 ILE HD12 . 25564 1 898 . 1 1 79 79 ILE HD13 H 1 0.276 0.008 . 1 . . . A 79 ILE HD13 . 25564 1 899 . 1 1 79 79 ILE C C 13 173.827 0.000 . 1 . . . A 79 ILE C . 25564 1 900 . 1 1 79 79 ILE CA C 13 60.748 0.040 . 1 . . . A 79 ILE CA . 25564 1 901 . 1 1 79 79 ILE CB C 13 41.270 0.037 . 1 . . . A 79 ILE CB . 25564 1 902 . 1 1 79 79 ILE CG1 C 13 27.606 0.042 . 1 . . . A 79 ILE CG1 . 25564 1 903 . 1 1 79 79 ILE CG2 C 13 16.523 0.029 . 1 . . . A 79 ILE CG2 . 25564 1 904 . 1 1 79 79 ILE CD1 C 13 14.544 0.042 . 1 . . . A 79 ILE CD1 . 25564 1 905 . 1 1 79 79 ILE N N 15 125.033 0.054 . 1 . . . A 79 ILE N . 25564 1 906 . 1 1 80 80 TYR H H 1 9.137 0.012 . 1 . . . A 80 TYR H . 25564 1 907 . 1 1 80 80 TYR HA H 1 4.519 0.009 . 1 . . . A 80 TYR HA . 25564 1 908 . 1 1 80 80 TYR HB2 H 1 2.771 0.005 . 1 . . . A 80 TYR HB2 . 25564 1 909 . 1 1 80 80 TYR HB3 H 1 2.771 0.005 . 1 . . . A 80 TYR HB3 . 25564 1 910 . 1 1 80 80 TYR HD1 H 1 7.150 0.006 . 3 . . . A 80 TYR HD1 . 25564 1 911 . 1 1 80 80 TYR HD2 H 1 7.150 0.006 . 3 . . . A 80 TYR HD2 . 25564 1 912 . 1 1 80 80 TYR HE1 H 1 6.565 0.005 . 3 . . . A 80 TYR HE1 . 25564 1 913 . 1 1 80 80 TYR HE2 H 1 6.565 0.005 . 3 . . . A 80 TYR HE2 . 25564 1 914 . 1 1 80 80 TYR C C 13 177.072 0.000 . 1 . . . A 80 TYR C . 25564 1 915 . 1 1 80 80 TYR CA C 13 56.401 0.137 . 1 . . . A 80 TYR CA . 25564 1 916 . 1 1 80 80 TYR CB C 13 40.900 0.022 . 1 . . . A 80 TYR CB . 25564 1 917 . 1 1 80 80 TYR CD1 C 13 133.974 0.069 . 3 . . . A 80 TYR CD1 . 25564 1 918 . 1 1 80 80 TYR CD2 C 13 133.974 0.069 . 3 . . . A 80 TYR CD2 . 25564 1 919 . 1 1 80 80 TYR CE1 C 13 118.148 0.073 . 3 . . . A 80 TYR CE1 . 25564 1 920 . 1 1 80 80 TYR CE2 C 13 118.148 0.073 . 3 . . . A 80 TYR CE2 . 25564 1 921 . 1 1 80 80 TYR N N 15 122.647 0.038 . 1 . . . A 80 TYR N . 25564 1 922 . 1 1 81 81 ALA H H 1 8.764 0.008 . 1 . . . A 81 ALA H . 25564 1 923 . 1 1 81 81 ALA HA H 1 4.753 0.018 . 1 . . . A 81 ALA HA . 25564 1 924 . 1 1 81 81 ALA HB1 H 1 1.398 0.007 . 1 . . . A 81 ALA HB1 . 25564 1 925 . 1 1 81 81 ALA HB2 H 1 1.398 0.007 . 1 . . . A 81 ALA HB2 . 25564 1 926 . 1 1 81 81 ALA HB3 H 1 1.398 0.007 . 1 . . . A 81 ALA HB3 . 25564 1 927 . 1 1 81 81 ALA C C 13 175.811 0.000 . 1 . . . A 81 ALA C . 25564 1 928 . 1 1 81 81 ALA CA C 13 51.657 0.058 . 1 . . . A 81 ALA CA . 25564 1 929 . 1 1 81 81 ALA CB C 13 21.316 0.040 . 1 . . . A 81 ALA CB . 25564 1 930 . 1 1 81 81 ALA N N 15 124.412 0.065 . 1 . . . A 81 ALA N . 25564 1 931 . 1 1 82 82 VAL H H 1 8.276 0.007 . 1 . . . A 82 VAL H . 25564 1 932 . 1 1 82 82 VAL HA H 1 4.613 0.018 . 1 . . . A 82 VAL HA . 25564 1 933 . 1 1 82 82 VAL HB H 1 1.515 0.011 . 1 . . . A 82 VAL HB . 25564 1 934 . 1 1 82 82 VAL HG11 H 1 0.696 0.011 . 2 . . . A 82 VAL HG11 . 25564 1 935 . 1 1 82 82 VAL HG12 H 1 0.696 0.011 . 2 . . . A 82 VAL HG12 . 25564 1 936 . 1 1 82 82 VAL HG13 H 1 0.696 0.011 . 2 . . . A 82 VAL HG13 . 25564 1 937 . 1 1 82 82 VAL HG21 H 1 0.706 0.010 . 2 . . . A 82 VAL HG21 . 25564 1 938 . 1 1 82 82 VAL HG22 H 1 0.706 0.010 . 2 . . . A 82 VAL HG22 . 25564 1 939 . 1 1 82 82 VAL HG23 H 1 0.706 0.010 . 2 . . . A 82 VAL HG23 . 25564 1 940 . 1 1 82 82 VAL C C 13 174.662 0.000 . 1 . . . A 82 VAL C . 25564 1 941 . 1 1 82 82 VAL CA C 13 61.179 0.077 . 1 . . . A 82 VAL CA . 25564 1 942 . 1 1 82 82 VAL CB C 13 34.671 0.038 . 1 . . . A 82 VAL CB . 25564 1 943 . 1 1 82 82 VAL CG1 C 13 20.823 0.024 . 2 . . . A 82 VAL CG1 . 25564 1 944 . 1 1 82 82 VAL CG2 C 13 21.998 0.033 . 2 . . . A 82 VAL CG2 . 25564 1 945 . 1 1 82 82 VAL N N 15 120.278 0.035 . 1 . . . A 82 VAL N . 25564 1 946 . 1 1 83 83 GLU H H 1 8.849 0.010 . 1 . . . A 83 GLU H . 25564 1 947 . 1 1 83 83 GLU HA H 1 4.537 0.021 . 1 . . . A 83 GLU HA . 25564 1 948 . 1 1 83 83 GLU HB2 H 1 1.751 0.013 . 2 . . . A 83 GLU HB2 . 25564 1 949 . 1 1 83 83 GLU HB3 H 1 2.062 0.014 . 2 . . . A 83 GLU HB3 . 25564 1 950 . 1 1 83 83 GLU HG2 H 1 2.207 0.009 . 2 . . . A 83 GLU HG2 . 25564 1 951 . 1 1 83 83 GLU HG3 H 1 1.895 0.005 . 2 . . . A 83 GLU HG3 . 25564 1 952 . 1 1 83 83 GLU C C 13 175.133 0.000 . 1 . . . A 83 GLU C . 25564 1 953 . 1 1 83 83 GLU CA C 13 56.000 0.142 . 1 . . . A 83 GLU CA . 25564 1 954 . 1 1 83 83 GLU CB C 13 31.716 0.044 . 1 . . . A 83 GLU CB . 25564 1 955 . 1 1 83 83 GLU CG C 13 36.199 0.046 . 1 . . . A 83 GLU CG . 25564 1 956 . 1 1 83 83 GLU N N 15 127.125 0.075 . 1 . . . A 83 GLU N . 25564 1 957 . 1 1 84 84 GLU H H 1 8.952 0.008 . 1 . . . A 84 GLU H . 25564 1 958 . 1 1 84 84 GLU HA H 1 3.682 0.007 . 1 . . . A 84 GLU HA . 25564 1 959 . 1 1 84 84 GLU HB2 H 1 2.115 0.004 . 2 . . . A 84 GLU HB2 . 25564 1 960 . 1 1 84 84 GLU HB3 H 1 2.187 0.012 . 2 . . . A 84 GLU HB3 . 25564 1 961 . 1 1 84 84 GLU HG2 H 1 2.286 0.009 . 2 . . . A 84 GLU HG2 . 25564 1 962 . 1 1 84 84 GLU HG3 H 1 2.201 0.008 . 2 . . . A 84 GLU HG3 . 25564 1 963 . 1 1 84 84 GLU C C 13 174.988 0.000 . 1 . . . A 84 GLU C . 25564 1 964 . 1 1 84 84 GLU CA C 13 59.362 0.046 . 1 . . . A 84 GLU CA . 25564 1 965 . 1 1 84 84 GLU CB C 13 27.722 0.016 . 1 . . . A 84 GLU CB . 25564 1 966 . 1 1 84 84 GLU CG C 13 36.236 0.027 . 1 . . . A 84 GLU CG . 25564 1 967 . 1 1 84 84 GLU N N 15 125.009 0.047 . 1 . . . A 84 GLU N . 25564 1 968 . 1 1 85 85 ASN H H 1 8.412 0.008 . 1 . . . A 85 ASN H . 25564 1 969 . 1 1 85 85 ASN HA H 1 4.706 0.006 . 1 . . . A 85 ASN HA . 25564 1 970 . 1 1 85 85 ASN HB2 H 1 2.878 0.005 . 2 . . . A 85 ASN HB2 . 25564 1 971 . 1 1 85 85 ASN HB3 H 1 2.843 0.009 . 2 . . . A 85 ASN HB3 . 25564 1 972 . 1 1 85 85 ASN HD21 H 1 7.582 0.008 . 1 . . . A 85 ASN HD21 . 25564 1 973 . 1 1 85 85 ASN HD22 H 1 6.928 0.004 . 1 . . . A 85 ASN HD22 . 25564 1 974 . 1 1 85 85 ASN C C 13 174.499 0.000 . 1 . . . A 85 ASN C . 25564 1 975 . 1 1 85 85 ASN CA C 13 53.953 0.078 . 1 . . . A 85 ASN CA . 25564 1 976 . 1 1 85 85 ASN CB C 13 39.030 0.026 . 1 . . . A 85 ASN CB . 25564 1 977 . 1 1 85 85 ASN CG C 13 177.933 0.000 . 1 . . . A 85 ASN CG . 25564 1 978 . 1 1 85 85 ASN N N 15 119.010 0.123 . 1 . . . A 85 ASN N . 25564 1 979 . 1 1 85 85 ASN ND2 N 15 113.274 0.068 . 1 . . . A 85 ASN ND2 . 25564 1 980 . 1 1 86 86 GLN H H 1 8.086 0.005 . 1 . . . A 86 GLN H . 25564 1 981 . 1 1 86 86 GLN HA H 1 4.604 0.005 . 1 . . . A 86 GLN HA . 25564 1 982 . 1 1 86 86 GLN HB2 H 1 2.040 0.014 . 2 . . . A 86 GLN HB2 . 25564 1 983 . 1 1 86 86 GLN HB3 H 1 2.114 0.014 . 2 . . . A 86 GLN HB3 . 25564 1 984 . 1 1 86 86 GLN HG2 H 1 2.322 0.022 . 1 . . . A 86 GLN HG2 . 25564 1 985 . 1 1 86 86 GLN HG3 H 1 2.322 0.022 . 1 . . . A 86 GLN HG3 . 25564 1 986 . 1 1 86 86 GLN HE21 H 1 7.511 0.007 . 1 . . . A 86 GLN HE21 . 25564 1 987 . 1 1 86 86 GLN HE22 H 1 6.698 0.004 . 1 . . . A 86 GLN HE22 . 25564 1 988 . 1 1 86 86 GLN C C 13 174.270 0.000 . 1 . . . A 86 GLN C . 25564 1 989 . 1 1 86 86 GLN CA C 13 55.292 0.097 . 1 . . . A 86 GLN CA . 25564 1 990 . 1 1 86 86 GLN CB C 13 32.011 0.051 . 1 . . . A 86 GLN CB . 25564 1 991 . 1 1 86 86 GLN CG C 13 34.266 0.089 . 1 . . . A 86 GLN CG . 25564 1 992 . 1 1 86 86 GLN CD C 13 180.220 0.000 . 1 . . . A 86 GLN CD . 25564 1 993 . 1 1 86 86 GLN N N 15 119.080 0.047 . 1 . . . A 86 GLN N . 25564 1 994 . 1 1 86 86 GLN NE2 N 15 111.941 0.083 . 1 . . . A 86 GLN NE2 . 25564 1 995 . 1 1 87 87 GLU H H 1 8.498 0.009 . 1 . . . A 87 GLU H . 25564 1 996 . 1 1 87 87 GLU HA H 1 5.214 0.011 . 1 . . . A 87 GLU HA . 25564 1 997 . 1 1 87 87 GLU HB2 H 1 1.854 0.005 . 2 . . . A 87 GLU HB2 . 25564 1 998 . 1 1 87 87 GLU HB3 H 1 2.049 0.007 . 2 . . . A 87 GLU HB3 . 25564 1 999 . 1 1 87 87 GLU HG2 H 1 2.134 0.016 . 2 . . . A 87 GLU HG2 . 25564 1 1000 . 1 1 87 87 GLU HG3 H 1 2.071 0.009 . 2 . . . A 87 GLU HG3 . 25564 1 1001 . 1 1 87 87 GLU C C 13 176.092 0.000 . 1 . . . A 87 GLU C . 25564 1 1002 . 1 1 87 87 GLU CA C 13 54.722 0.030 . 1 . . . A 87 GLU CA . 25564 1 1003 . 1 1 87 87 GLU CB C 13 33.715 0.062 . 1 . . . A 87 GLU CB . 25564 1 1004 . 1 1 87 87 GLU CG C 13 36.812 0.038 . 1 . . . A 87 GLU CG . 25564 1 1005 . 1 1 87 87 GLU N N 15 120.589 0.040 . 1 . . . A 87 GLU N . 25564 1 1006 . 1 1 88 88 SER H H 1 8.954 0.008 . 1 . . . A 88 SER H . 25564 1 1007 . 1 1 88 88 SER HA H 1 4.547 0.007 . 1 . . . A 88 SER HA . 25564 1 1008 . 1 1 88 88 SER HB2 H 1 3.677 0.009 . 2 . . . A 88 SER HB2 . 25564 1 1009 . 1 1 88 88 SER HB3 H 1 4.283 0.006 . 2 . . . A 88 SER HB3 . 25564 1 1010 . 1 1 88 88 SER C C 13 175.202 0.000 . 1 . . . A 88 SER C . 25564 1 1011 . 1 1 88 88 SER CA C 13 58.211 0.063 . 1 . . . A 88 SER CA . 25564 1 1012 . 1 1 88 88 SER CB C 13 66.959 0.075 . 1 . . . A 88 SER CB . 25564 1 1013 . 1 1 88 88 SER N N 15 116.013 0.047 . 1 . . . A 88 SER N . 25564 1 1014 . 1 1 89 89 THR H H 1 8.559 0.006 . 1 . . . A 89 THR H . 25564 1 1015 . 1 1 89 89 THR HA H 1 4.520 0.012 . 1 . . . A 89 THR HA . 25564 1 1016 . 1 1 89 89 THR HB H 1 4.249 0.009 . 1 . . . A 89 THR HB . 25564 1 1017 . 1 1 89 89 THR HG21 H 1 1.395 0.004 . 1 . . . A 89 THR HG21 . 25564 1 1018 . 1 1 89 89 THR HG22 H 1 1.395 0.004 . 1 . . . A 89 THR HG22 . 25564 1 1019 . 1 1 89 89 THR HG23 H 1 1.395 0.004 . 1 . . . A 89 THR HG23 . 25564 1 1020 . 1 1 89 89 THR C C 13 173.754 0.000 . 1 . . . A 89 THR C . 25564 1 1021 . 1 1 89 89 THR CA C 13 61.673 0.105 . 1 . . . A 89 THR CA . 25564 1 1022 . 1 1 89 89 THR CB C 13 69.286 0.115 . 1 . . . A 89 THR CB . 25564 1 1023 . 1 1 89 89 THR CG2 C 13 22.189 0.033 . 1 . . . A 89 THR CG2 . 25564 1 1024 . 1 1 89 89 THR N N 15 114.798 0.047 . 1 . . . A 89 THR N . 25564 1 1025 . 1 1 90 90 PRO HA H 1 4.155 0.004 . 1 . . . A 90 PRO HA . 25564 1 1026 . 1 1 90 90 PRO HB2 H 1 1.201 0.018 . 1 . . . A 90 PRO HB2 . 25564 1 1027 . 1 1 90 90 PRO HB3 H 1 1.245 0.007 . 1 . . . A 90 PRO HB3 . 25564 1 1028 . 1 1 90 90 PRO HG2 H 1 1.981 0.012 . 2 . . . A 90 PRO HG2 . 25564 1 1029 . 1 1 90 90 PRO HG3 H 1 1.935 0.013 . 2 . . . A 90 PRO HG3 . 25564 1 1030 . 1 1 90 90 PRO HD2 H 1 3.889 0.011 . 2 . . . A 90 PRO HD2 . 25564 1 1031 . 1 1 90 90 PRO HD3 H 1 3.820 0.021 . 2 . . . A 90 PRO HD3 . 25564 1 1032 . 1 1 90 90 PRO C C 13 177.970 0.000 . 1 . . . A 90 PRO C . 25564 1 1033 . 1 1 90 90 PRO CA C 13 62.725 0.109 . 1 . . . A 90 PRO CA . 25564 1 1034 . 1 1 90 90 PRO CB C 13 32.403 0.134 . 1 . . . A 90 PRO CB . 25564 1 1035 . 1 1 90 90 PRO CG C 13 26.784 0.040 . 1 . . . A 90 PRO CG . 25564 1 1036 . 1 1 90 90 PRO CD C 13 50.658 0.070 . 1 . . . A 90 PRO CD . 25564 1 1037 . 1 1 91 91 VAL H H 1 8.189 0.009 . 1 . . . A 91 VAL H . 25564 1 1038 . 1 1 91 91 VAL HA H 1 4.277 0.004 . 1 . . . A 91 VAL HA . 25564 1 1039 . 1 1 91 91 VAL HB H 1 1.861 0.008 . 1 . . . A 91 VAL HB . 25564 1 1040 . 1 1 91 91 VAL HG11 H 1 0.868 0.007 . 2 . . . A 91 VAL HG11 . 25564 1 1041 . 1 1 91 91 VAL HG12 H 1 0.868 0.007 . 2 . . . A 91 VAL HG12 . 25564 1 1042 . 1 1 91 91 VAL HG13 H 1 0.868 0.007 . 2 . . . A 91 VAL HG13 . 25564 1 1043 . 1 1 91 91 VAL HG21 H 1 0.925 0.009 . 2 . . . A 91 VAL HG21 . 25564 1 1044 . 1 1 91 91 VAL HG22 H 1 0.925 0.009 . 2 . . . A 91 VAL HG22 . 25564 1 1045 . 1 1 91 91 VAL HG23 H 1 0.925 0.009 . 2 . . . A 91 VAL HG23 . 25564 1 1046 . 1 1 91 91 VAL C C 13 173.958 0.000 . 1 . . . A 91 VAL C . 25564 1 1047 . 1 1 91 91 VAL CA C 13 61.598 0.066 . 1 . . . A 91 VAL CA . 25564 1 1048 . 1 1 91 91 VAL CB C 13 33.947 0.059 . 1 . . . A 91 VAL CB . 25564 1 1049 . 1 1 91 91 VAL CG1 C 13 21.485 0.041 . 2 . . . A 91 VAL CG1 . 25564 1 1050 . 1 1 91 91 VAL CG2 C 13 21.765 0.053 . 2 . . . A 91 VAL CG2 . 25564 1 1051 . 1 1 91 91 VAL N N 15 120.679 0.051 . 1 . . . A 91 VAL N . 25564 1 1052 . 1 1 92 92 VAL H H 1 8.300 0.007 . 1 . . . A 92 VAL H . 25564 1 1053 . 1 1 92 92 VAL HA H 1 5.007 0.013 . 1 . . . A 92 VAL HA . 25564 1 1054 . 1 1 92 92 VAL HB H 1 1.814 0.004 . 1 . . . A 92 VAL HB . 25564 1 1055 . 1 1 92 92 VAL HG11 H 1 0.753 0.016 . 2 . . . A 92 VAL HG11 . 25564 1 1056 . 1 1 92 92 VAL HG12 H 1 0.753 0.016 . 2 . . . A 92 VAL HG12 . 25564 1 1057 . 1 1 92 92 VAL HG13 H 1 0.753 0.016 . 2 . . . A 92 VAL HG13 . 25564 1 1058 . 1 1 92 92 VAL HG21 H 1 0.817 0.015 . 2 . . . A 92 VAL HG21 . 25564 1 1059 . 1 1 92 92 VAL HG22 H 1 0.817 0.015 . 2 . . . A 92 VAL HG22 . 25564 1 1060 . 1 1 92 92 VAL HG23 H 1 0.817 0.015 . 2 . . . A 92 VAL HG23 . 25564 1 1061 . 1 1 92 92 VAL C C 13 176.045 0.000 . 1 . . . A 92 VAL C . 25564 1 1062 . 1 1 92 92 VAL CA C 13 61.361 0.051 . 1 . . . A 92 VAL CA . 25564 1 1063 . 1 1 92 92 VAL CB C 13 34.134 0.065 . 1 . . . A 92 VAL CB . 25564 1 1064 . 1 1 92 92 VAL CG1 C 13 20.822 0.041 . 2 . . . A 92 VAL CG1 . 25564 1 1065 . 1 1 92 92 VAL CG2 C 13 21.160 0.016 . 2 . . . A 92 VAL CG2 . 25564 1 1066 . 1 1 92 92 VAL N N 15 125.593 0.040 . 1 . . . A 92 VAL N . 25564 1 1067 . 1 1 93 93 ILE H H 1 9.471 0.012 . 1 . . . A 93 ILE H . 25564 1 1068 . 1 1 93 93 ILE HA H 1 4.416 0.010 . 1 . . . A 93 ILE HA . 25564 1 1069 . 1 1 93 93 ILE HB H 1 1.703 0.006 . 1 . . . A 93 ILE HB . 25564 1 1070 . 1 1 93 93 ILE HG12 H 1 1.359 0.007 . 2 . . . A 93 ILE HG12 . 25564 1 1071 . 1 1 93 93 ILE HG13 H 1 1.047 0.007 . 2 . . . A 93 ILE HG13 . 25564 1 1072 . 1 1 93 93 ILE HG21 H 1 0.799 0.008 . 1 . . . A 93 ILE HG21 . 25564 1 1073 . 1 1 93 93 ILE HG22 H 1 0.799 0.008 . 1 . . . A 93 ILE HG22 . 25564 1 1074 . 1 1 93 93 ILE HG23 H 1 0.799 0.008 . 1 . . . A 93 ILE HG23 . 25564 1 1075 . 1 1 93 93 ILE HD11 H 1 0.700 0.005 . 1 . . . A 93 ILE HD11 . 25564 1 1076 . 1 1 93 93 ILE HD12 H 1 0.700 0.005 . 1 . . . A 93 ILE HD12 . 25564 1 1077 . 1 1 93 93 ILE HD13 H 1 0.700 0.005 . 1 . . . A 93 ILE HD13 . 25564 1 1078 . 1 1 93 93 ILE C C 13 174.071 0.000 . 1 . . . A 93 ILE C . 25564 1 1079 . 1 1 93 93 ILE CA C 13 59.838 0.068 . 1 . . . A 93 ILE CA . 25564 1 1080 . 1 1 93 93 ILE CB C 13 42.232 0.052 . 1 . . . A 93 ILE CB . 25564 1 1081 . 1 1 93 93 ILE CG1 C 13 27.604 0.060 . 1 . . . A 93 ILE CG1 . 25564 1 1082 . 1 1 93 93 ILE CG2 C 13 17.940 0.026 . 1 . . . A 93 ILE CG2 . 25564 1 1083 . 1 1 93 93 ILE CD1 C 13 14.420 0.035 . 1 . . . A 93 ILE CD1 . 25564 1 1084 . 1 1 93 93 ILE N N 15 127.733 0.091 . 1 . . . A 93 ILE N . 25564 1 1085 . 1 1 94 94 GLN H H 1 8.522 0.010 . 1 . . . A 94 GLN H . 25564 1 1086 . 1 1 94 94 GLN HA H 1 5.541 0.005 . 1 . . . A 94 GLN HA . 25564 1 1087 . 1 1 94 94 GLN HB2 H 1 1.787 0.011 . 2 . . . A 94 GLN HB2 . 25564 1 1088 . 1 1 94 94 GLN HB3 H 1 1.965 0.007 . 2 . . . A 94 GLN HB3 . 25564 1 1089 . 1 1 94 94 GLN HG2 H 1 2.273 0.014 . 2 . . . A 94 GLN HG2 . 25564 1 1090 . 1 1 94 94 GLN HG3 H 1 2.222 0.014 . 2 . . . A 94 GLN HG3 . 25564 1 1091 . 1 1 94 94 GLN HE21 H 1 7.581 0.009 . 1 . . . A 94 GLN HE21 . 25564 1 1092 . 1 1 94 94 GLN HE22 H 1 6.685 0.005 . 1 . . . A 94 GLN HE22 . 25564 1 1093 . 1 1 94 94 GLN C C 13 175.328 0.000 . 1 . . . A 94 GLN C . 25564 1 1094 . 1 1 94 94 GLN CA C 13 54.582 0.072 . 1 . . . A 94 GLN CA . 25564 1 1095 . 1 1 94 94 GLN CB C 13 32.029 0.056 . 1 . . . A 94 GLN CB . 25564 1 1096 . 1 1 94 94 GLN CG C 13 34.500 0.070 . 1 . . . A 94 GLN CG . 25564 1 1097 . 1 1 94 94 GLN CD C 13 180.947 0.000 . 1 . . . A 94 GLN CD . 25564 1 1098 . 1 1 94 94 GLN N N 15 123.610 0.039 . 1 . . . A 94 GLN N . 25564 1 1099 . 1 1 94 94 GLN NE2 N 15 111.912 0.078 . 1 . . . A 94 GLN NE2 . 25564 1 1100 . 1 1 95 95 GLN H H 1 8.893 0.009 . 1 . . . A 95 GLN H . 25564 1 1101 . 1 1 95 95 GLN HA H 1 4.510 0.007 . 1 . . . A 95 GLN HA . 25564 1 1102 . 1 1 95 95 GLN HB2 H 1 1.588 0.007 . 2 . . . A 95 GLN HB2 . 25564 1 1103 . 1 1 95 95 GLN HB3 H 1 2.200 0.009 . 2 . . . A 95 GLN HB3 . 25564 1 1104 . 1 1 95 95 GLN HG2 H 1 2.047 0.007 . 1 . . . A 95 GLN HG2 . 25564 1 1105 . 1 1 95 95 GLN HG3 H 1 2.047 0.007 . 1 . . . A 95 GLN HG3 . 25564 1 1106 . 1 1 95 95 GLN HE21 H 1 8.465 0.016 . 1 . . . A 95 GLN HE21 . 25564 1 1107 . 1 1 95 95 GLN HE22 H 1 7.195 0.007 . 1 . . . A 95 GLN HE22 . 25564 1 1108 . 1 1 95 95 GLN C C 13 173.530 0.000 . 1 . . . A 95 GLN C . 25564 1 1109 . 1 1 95 95 GLN CA C 13 54.922 0.031 . 1 . . . A 95 GLN CA . 25564 1 1110 . 1 1 95 95 GLN CB C 13 32.523 0.061 . 1 . . . A 95 GLN CB . 25564 1 1111 . 1 1 95 95 GLN CG C 13 34.550 0.113 . 1 . . . A 95 GLN CG . 25564 1 1112 . 1 1 95 95 GLN CD C 13 177.938 0.000 . 1 . . . A 95 GLN CD . 25564 1 1113 . 1 1 95 95 GLN N N 15 123.044 0.038 . 1 . . . A 95 GLN N . 25564 1 1114 . 1 1 95 95 GLN NE2 N 15 118.047 0.123 . 1 . . . A 95 GLN NE2 . 25564 1 1115 . 1 1 96 96 GLU H H 1 8.913 0.010 . 1 . . . A 96 GLU H . 25564 1 1116 . 1 1 96 96 GLU HA H 1 5.743 0.007 . 1 . . . A 96 GLU HA . 25564 1 1117 . 1 1 96 96 GLU HB2 H 1 1.846 0.005 . 2 . . . A 96 GLU HB2 . 25564 1 1118 . 1 1 96 96 GLU HB3 H 1 1.986 0.010 . 2 . . . A 96 GLU HB3 . 25564 1 1119 . 1 1 96 96 GLU HG2 H 1 2.246 0.007 . 2 . . . A 96 GLU HG2 . 25564 1 1120 . 1 1 96 96 GLU HG3 H 1 2.085 0.008 . 2 . . . A 96 GLU HG3 . 25564 1 1121 . 1 1 96 96 GLU C C 13 178.926 0.000 . 1 . . . A 96 GLU C . 25564 1 1122 . 1 1 96 96 GLU CA C 13 54.819 0.085 . 1 . . . A 96 GLU CA . 25564 1 1123 . 1 1 96 96 GLU CB C 13 31.525 0.060 . 1 . . . A 96 GLU CB . 25564 1 1124 . 1 1 96 96 GLU CG C 13 36.473 0.023 . 1 . . . A 96 GLU CG . 25564 1 1125 . 1 1 96 96 GLU N N 15 128.881 0.053 . 1 . . . A 96 GLU N . 25564 1 1126 . 1 1 97 97 THR H H 1 8.740 0.006 . 1 . . . A 97 THR H . 25564 1 1127 . 1 1 97 97 THR HA H 1 4.344 0.013 . 1 . . . A 97 THR HA . 25564 1 1128 . 1 1 97 97 THR HB H 1 4.962 0.005 . 1 . . . A 97 THR HB . 25564 1 1129 . 1 1 97 97 THR HG21 H 1 1.176 0.005 . 1 . . . A 97 THR HG21 . 25564 1 1130 . 1 1 97 97 THR HG22 H 1 1.176 0.005 . 1 . . . A 97 THR HG22 . 25564 1 1131 . 1 1 97 97 THR HG23 H 1 1.176 0.005 . 1 . . . A 97 THR HG23 . 25564 1 1132 . 1 1 97 97 THR C C 13 176.660 0.000 . 1 . . . A 97 THR C . 25564 1 1133 . 1 1 97 97 THR CA C 13 61.453 0.042 . 1 . . . A 97 THR CA . 25564 1 1134 . 1 1 97 97 THR CB C 13 69.742 0.063 . 1 . . . A 97 THR CB . 25564 1 1135 . 1 1 97 97 THR CG2 C 13 25.111 0.074 . 1 . . . A 97 THR CG2 . 25564 1 1136 . 1 1 97 97 THR N N 15 116.022 0.039 . 1 . . . A 97 THR N . 25564 1 1137 . 1 1 98 98 THR H H 1 7.287 0.009 . 1 . . . A 98 THR H . 25564 1 1138 . 1 1 98 98 THR HA H 1 4.270 0.012 . 1 . . . A 98 THR HA . 25564 1 1139 . 1 1 98 98 THR HB H 1 4.469 0.005 . 1 . . . A 98 THR HB . 25564 1 1140 . 1 1 98 98 THR HG21 H 1 1.169 0.008 . 1 . . . A 98 THR HG21 . 25564 1 1141 . 1 1 98 98 THR HG22 H 1 1.169 0.008 . 1 . . . A 98 THR HG22 . 25564 1 1142 . 1 1 98 98 THR HG23 H 1 1.169 0.008 . 1 . . . A 98 THR HG23 . 25564 1 1143 . 1 1 98 98 THR C C 13 173.859 0.000 . 1 . . . A 98 THR C . 25564 1 1144 . 1 1 98 98 THR CA C 13 62.659 0.067 . 1 . . . A 98 THR CA . 25564 1 1145 . 1 1 98 98 THR CB C 13 69.654 0.012 . 1 . . . A 98 THR CB . 25564 1 1146 . 1 1 98 98 THR CG2 C 13 22.451 0.023 . 1 . . . A 98 THR CG2 . 25564 1 1147 . 1 1 98 98 THR N N 15 110.068 0.024 . 1 . . . A 98 THR N . 25564 1 1148 . 1 1 99 99 GLY H H 1 8.033 0.007 . 1 . . . A 99 GLY H . 25564 1 1149 . 1 1 99 99 GLY HA2 H 1 4.190 0.007 . 2 . . . A 99 GLY HA2 . 25564 1 1150 . 1 1 99 99 GLY HA3 H 1 3.813 0.009 . 2 . . . A 99 GLY HA3 . 25564 1 1151 . 1 1 99 99 GLY C C 13 174.225 0.000 . 1 . . . A 99 GLY C . 25564 1 1152 . 1 1 99 99 GLY CA C 13 44.955 0.087 . 1 . . . A 99 GLY CA . 25564 1 1153 . 1 1 99 99 GLY N N 15 103.540 0.034 . 1 . . . A 99 GLY N . 25564 1 1154 . 1 1 100 100 THR H H 1 8.055 0.008 . 1 . . . A 100 THR H . 25564 1 1155 . 1 1 100 100 THR HA H 1 4.623 0.006 . 1 . . . A 100 THR HA . 25564 1 1156 . 1 1 100 100 THR HB H 1 4.002 0.004 . 1 . . . A 100 THR HB . 25564 1 1157 . 1 1 100 100 THR HG21 H 1 1.254 0.013 . 1 . . . A 100 THR HG21 . 25564 1 1158 . 1 1 100 100 THR HG22 H 1 1.254 0.013 . 1 . . . A 100 THR HG22 . 25564 1 1159 . 1 1 100 100 THR HG23 H 1 1.254 0.013 . 1 . . . A 100 THR HG23 . 25564 1 1160 . 1 1 100 100 THR C C 13 172.336 0.000 . 1 . . . A 100 THR C . 25564 1 1161 . 1 1 100 100 THR CA C 13 59.775 0.045 . 1 . . . A 100 THR CA . 25564 1 1162 . 1 1 100 100 THR CB C 13 70.644 0.150 . 1 . . . A 100 THR CB . 25564 1 1163 . 1 1 100 100 THR CG2 C 13 21.715 0.102 . 1 . . . A 100 THR CG2 . 25564 1 1164 . 1 1 100 100 THR N N 15 114.887 0.064 . 1 . . . A 100 THR N . 25564 1 1165 . 1 1 101 101 PRO HA H 1 4.499 0.010 . 1 . . . A 101 PRO HA . 25564 1 1166 . 1 1 101 101 PRO HB2 H 1 1.868 0.005 . 1 . . . A 101 PRO HB2 . 25564 1 1167 . 1 1 101 101 PRO HB3 H 1 2.331 0.005 . 1 . . . A 101 PRO HB3 . 25564 1 1168 . 1 1 101 101 PRO HG2 H 1 2.094 0.012 . 2 . . . A 101 PRO HG2 . 25564 1 1169 . 1 1 101 101 PRO HG3 H 1 2.060 0.013 . 2 . . . A 101 PRO HG3 . 25564 1 1170 . 1 1 101 101 PRO HD2 H 1 3.908 0.006 . 2 . . . A 101 PRO HD2 . 25564 1 1171 . 1 1 101 101 PRO HD3 H 1 3.745 0.007 . 2 . . . A 101 PRO HD3 . 25564 1 1172 . 1 1 101 101 PRO C C 13 177.344 0.000 . 1 . . . A 101 PRO C . 25564 1 1173 . 1 1 101 101 PRO CA C 13 63.108 0.011 . 1 . . . A 101 PRO CA . 25564 1 1174 . 1 1 101 101 PRO CB C 13 32.286 0.058 . 1 . . . A 101 PRO CB . 25564 1 1175 . 1 1 101 101 PRO CG C 13 27.484 0.014 . 1 . . . A 101 PRO CG . 25564 1 1176 . 1 1 101 101 PRO CD C 13 51.285 0.157 . 1 . . . A 101 PRO CD . 25564 1 1177 . 1 1 102 102 ARG H H 1 8.771 0.014 . 1 . . . A 102 ARG H . 25564 1 1178 . 1 1 102 102 ARG HA H 1 4.314 0.015 . 1 . . . A 102 ARG HA . 25564 1 1179 . 1 1 102 102 ARG HB2 H 1 1.791 0.019 . 2 . . . A 102 ARG HB2 . 25564 1 1180 . 1 1 102 102 ARG HB3 H 1 1.883 0.009 . 2 . . . A 102 ARG HB3 . 25564 1 1181 . 1 1 102 102 ARG HG2 H 1 1.718 0.008 . 2 . . . A 102 ARG HG2 . 25564 1 1182 . 1 1 102 102 ARG HG3 H 1 1.702 0.024 . 2 . . . A 102 ARG HG3 . 25564 1 1183 . 1 1 102 102 ARG HD2 H 1 3.237 0.008 . 1 . . . A 102 ARG HD2 . 25564 1 1184 . 1 1 102 102 ARG HD3 H 1 3.237 0.011 . 1 . . . A 102 ARG HD3 . 25564 1 1185 . 1 1 102 102 ARG C C 13 176.790 0.000 . 1 . . . A 102 ARG C . 25564 1 1186 . 1 1 102 102 ARG CA C 13 56.404 0.132 . 1 . . . A 102 ARG CA . 25564 1 1187 . 1 1 102 102 ARG CB C 13 31.265 0.096 . 1 . . . A 102 ARG CB . 25564 1 1188 . 1 1 102 102 ARG CG C 13 27.557 0.035 . 1 . . . A 102 ARG CG . 25564 1 1189 . 1 1 102 102 ARG CD C 13 43.676 0.094 . 1 . . . A 102 ARG CD . 25564 1 1190 . 1 1 102 102 ARG N N 15 122.476 0.056 . 1 . . . A 102 ARG N . 25564 1 1191 . 1 1 103 103 SER HA H 1 4.523 0.016 . 1 . . . A 103 SER HA . 25564 1 1192 . 1 1 103 103 SER HB2 H 1 3.847 0.028 . 2 . . . A 103 SER HB2 . 25564 1 1193 . 1 1 103 103 SER HB3 H 1 3.906 0.024 . 2 . . . A 103 SER HB3 . 25564 1 1194 . 1 1 103 103 SER CA C 13 58.311 0.139 . 1 . . . A 103 SER CA . 25564 1 1195 . 1 1 103 103 SER CB C 13 64.168 0.071 . 1 . . . A 103 SER CB . 25564 1 1196 . 1 1 104 104 ASP H H 1 8.418 0.006 . 1 . . . A 104 ASP H . 25564 1 1197 . 1 1 104 104 ASP HA H 1 4.648 0.017 . 1 . . . A 104 ASP HA . 25564 1 1198 . 1 1 104 104 ASP HB2 H 1 2.685 0.016 . 2 . . . A 104 ASP HB2 . 25564 1 1199 . 1 1 104 104 ASP HB3 H 1 2.760 0.025 . 2 . . . A 104 ASP HB3 . 25564 1 1200 . 1 1 104 104 ASP CA C 13 54.566 0.065 . 1 . . . A 104 ASP CA . 25564 1 1201 . 1 1 104 104 ASP CB C 13 41.383 0.065 . 1 . . . A 104 ASP CB . 25564 1 1202 . 1 1 104 104 ASP N N 15 122.461 0.000 . 1 . . . A 104 ASP N . 25564 1 1203 . 1 1 105 105 GLY H H 1 8.390 0.011 . 1 . . . A 105 GLY H . 25564 1 1204 . 1 1 105 105 GLY HA2 H 1 4.033 0.006 . 2 . . . A 105 GLY HA2 . 25564 1 1205 . 1 1 105 105 GLY HA3 H 1 3.938 0.024 . 2 . . . A 105 GLY HA3 . 25564 1 1206 . 1 1 105 105 GLY C C 13 173.987 0.019 . 1 . . . A 105 GLY C . 25564 1 1207 . 1 1 105 105 GLY CA C 13 45.773 0.068 . 1 . . . A 105 GLY CA . 25564 1 1208 . 1 1 105 105 GLY N N 15 109.250 0.053 . 1 . . . A 105 GLY N . 25564 1 1209 . 1 1 106 106 THR H H 1 7.755 0.005 . 1 . . . A 106 THR H . 25564 1 1210 . 1 1 106 106 THR HA H 1 4.190 0.022 . 1 . . . A 106 THR HA . 25564 1 1211 . 1 1 106 106 THR HB H 1 4.270 0.022 . 1 . . . A 106 THR HB . 25564 1 1212 . 1 1 106 106 THR HG21 H 1 1.163 0.019 . 1 . . . A 106 THR HG21 . 25564 1 1213 . 1 1 106 106 THR HG22 H 1 1.163 0.019 . 1 . . . A 106 THR HG22 . 25564 1 1214 . 1 1 106 106 THR HG23 H 1 1.163 0.019 . 1 . . . A 106 THR HG23 . 25564 1 1215 . 1 1 106 106 THR C C 13 179.488 0.000 . 1 . . . A 106 THR C . 25564 1 1216 . 1 1 106 106 THR CA C 13 63.552 0.121 . 1 . . . A 106 THR CA . 25564 1 1217 . 1 1 106 106 THR CB C 13 71.067 0.182 . 1 . . . A 106 THR CB . 25564 1 1218 . 1 1 106 106 THR CG2 C 13 22.286 0.127 . 1 . . . A 106 THR CG2 . 25564 1 1219 . 1 1 106 106 THR N N 15 118.495 0.056 . 1 . . . A 106 THR N . 25564 1 stop_ save_