data_51870 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51870 _Entry.Title ; AtGRP2 CSD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-03-07 _Entry.Accession_date 2023-03-07 _Entry.Last_release_date 2023-03-07 _Entry.Original_release_date 2023-03-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; 1H, 15N, and 13C backbone and side chain resonance assignments of the cold shock domain of the Arabidopsis thaliana glycine-rich protein AtGRP2. ; _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.ORCID _Entry_author.Entry_ID 1 Karina Pougy . C. . 0000-0001-5937-2026 51870 2 Fabio Almeida . C.L. . 0000-0001-6046-7006 51870 3 Anderson Pinheiro . S. . 0000-0001-5118-6931 51870 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratory of Molecular Biochemistry, Department of Biochemistry, Institute of Chemistry, UFRJ' . 51870 2 . 'National Center for Nuclear Magnetic Resonance, National Center for Structural Biology and Bioimaging, UFRJ' . 51870 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51870 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 51870 '15N chemical shifts' 92 51870 '1H chemical shifts' 542 51870 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 . . 2023-06-22 2023-03-07 update BMRB 'update entry citation' 51870 1 . . 2023-05-23 2023-03-07 original author 'original release' 51870 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51870 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37145295 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C backbone and side chain resonance assignments of the cold shock domain of the Arabidopsis thaliana glycine-rich protein AtGRP2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 1 _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 143 _Citation.Page_last 149 _Citation.Year 2023 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Karina Pougy . C. . . 51870 1 2 Gilberto Sachetto-Martins . C. . . 51870 1 3 Fabio Almeida . C.L. . . 51870 1 4 Anderson Pinheiro . S. . . 51870 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'AtGRP2, AtCSP2, cold shock, RNA-binding, glycine-rich' 51870 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51870 _Assembly.ID 1 _Assembly.Name 'AtGRP2-CSD monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'AtGRP2 CSD' 1 $entity_1 . . yes native yes no 1 'RNA-binding cold shock domain' . 51870 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51870 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMSGDNGGGERRKGSVKWF DTQKGFGFITPDDGGDDLFV HQSSIRSEGFRSLAAEEAVE FEVEIDNNNRPKAIDVSGPD GAPVQGNSGGGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Gly-1 and His0 are cloning artifacts derived from TEV cleavage. AtGRP2-CSD primary sequence starts at Met1. ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 Uniprot Q41188 . CSP2 . . . . . . . . . . . . . . 51870 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA-binding protein from Arabidopsis thaliana involved in development, flowering, and abiotic stress response regulation.' 51870 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 -1 GLY . 51870 1 2 0 HIS . 51870 1 3 1 MET . 51870 1 4 2 SER . 51870 1 5 3 GLY . 51870 1 6 4 ASP . 51870 1 7 5 ASN . 51870 1 8 6 GLY . 51870 1 9 7 GLY . 51870 1 10 8 GLY . 51870 1 11 9 GLU . 51870 1 12 10 ARG . 51870 1 13 11 ARG . 51870 1 14 12 LYS . 51870 1 15 13 GLY . 51870 1 16 14 SER . 51870 1 17 15 VAL . 51870 1 18 16 LYS . 51870 1 19 17 TRP . 51870 1 20 18 PHE . 51870 1 21 19 ASP . 51870 1 22 20 THR . 51870 1 23 21 GLN . 51870 1 24 22 LYS . 51870 1 25 23 GLY . 51870 1 26 24 PHE . 51870 1 27 25 GLY . 51870 1 28 26 PHE . 51870 1 29 27 ILE . 51870 1 30 28 THR . 51870 1 31 29 PRO . 51870 1 32 30 ASP . 51870 1 33 31 ASP . 51870 1 34 32 GLY . 51870 1 35 33 GLY . 51870 1 36 34 ASP . 51870 1 37 35 ASP . 51870 1 38 36 LEU . 51870 1 39 37 PHE . 51870 1 40 38 VAL . 51870 1 41 39 HIS . 51870 1 42 40 GLN . 51870 1 43 41 SER . 51870 1 44 42 SER . 51870 1 45 43 ILE . 51870 1 46 44 ARG . 51870 1 47 45 SER . 51870 1 48 46 GLU . 51870 1 49 47 GLY . 51870 1 50 48 PHE . 51870 1 51 49 ARG . 51870 1 52 50 SER . 51870 1 53 51 LEU . 51870 1 54 52 ALA . 51870 1 55 53 ALA . 51870 1 56 54 GLU . 51870 1 57 55 GLU . 51870 1 58 56 ALA . 51870 1 59 57 VAL . 51870 1 60 58 GLU . 51870 1 61 59 PHE . 51870 1 62 60 GLU . 51870 1 63 61 VAL . 51870 1 64 62 GLU . 51870 1 65 63 ILE . 51870 1 66 64 ASP . 51870 1 67 65 ASN . 51870 1 68 66 ASN . 51870 1 69 67 ASN . 51870 1 70 68 ARG . 51870 1 71 69 PRO . 51870 1 72 70 LYS . 51870 1 73 71 ALA . 51870 1 74 72 ILE . 51870 1 75 73 ASP . 51870 1 76 74 VAL . 51870 1 77 75 SER . 51870 1 78 76 GLY . 51870 1 79 77 PRO . 51870 1 80 78 ASP . 51870 1 81 79 GLY . 51870 1 82 80 ALA . 51870 1 83 81 PRO . 51870 1 84 82 VAL . 51870 1 85 83 GLN . 51870 1 86 84 GLY . 51870 1 87 85 ASN . 51870 1 88 86 SER . 51870 1 89 87 GLY . 51870 1 90 88 GLY . 51870 1 91 89 GLY . 51870 1 92 90 SER . 51870 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 51870 1 . HIS 2 2 51870 1 . MET 3 3 51870 1 . SER 4 4 51870 1 . GLY 5 5 51870 1 . ASP 6 6 51870 1 . ASN 7 7 51870 1 . GLY 8 8 51870 1 . GLY 9 9 51870 1 . GLY 10 10 51870 1 . GLU 11 11 51870 1 . ARG 12 12 51870 1 . ARG 13 13 51870 1 . LYS 14 14 51870 1 . GLY 15 15 51870 1 . SER 16 16 51870 1 . VAL 17 17 51870 1 . LYS 18 18 51870 1 . TRP 19 19 51870 1 . PHE 20 20 51870 1 . ASP 21 21 51870 1 . THR 22 22 51870 1 . GLN 23 23 51870 1 . LYS 24 24 51870 1 . GLY 25 25 51870 1 . PHE 26 26 51870 1 . GLY 27 27 51870 1 . PHE 28 28 51870 1 . ILE 29 29 51870 1 . THR 30 30 51870 1 . PRO 31 31 51870 1 . ASP 32 32 51870 1 . ASP 33 33 51870 1 . GLY 34 34 51870 1 . GLY 35 35 51870 1 . ASP 36 36 51870 1 . ASP 37 37 51870 1 . LEU 38 38 51870 1 . PHE 39 39 51870 1 . VAL 40 40 51870 1 . HIS 41 41 51870 1 . GLN 42 42 51870 1 . SER 43 43 51870 1 . SER 44 44 51870 1 . ILE 45 45 51870 1 . ARG 46 46 51870 1 . SER 47 47 51870 1 . GLU 48 48 51870 1 . GLY 49 49 51870 1 . PHE 50 50 51870 1 . ARG 51 51 51870 1 . SER 52 52 51870 1 . LEU 53 53 51870 1 . ALA 54 54 51870 1 . ALA 55 55 51870 1 . GLU 56 56 51870 1 . GLU 57 57 51870 1 . ALA 58 58 51870 1 . VAL 59 59 51870 1 . GLU 60 60 51870 1 . PHE 61 61 51870 1 . GLU 62 62 51870 1 . VAL 63 63 51870 1 . GLU 64 64 51870 1 . ILE 65 65 51870 1 . ASP 66 66 51870 1 . ASN 67 67 51870 1 . ASN 68 68 51870 1 . ASN 69 69 51870 1 . ARG 70 70 51870 1 . PRO 71 71 51870 1 . LYS 72 72 51870 1 . ALA 73 73 51870 1 . ILE 74 74 51870 1 . ASP 75 75 51870 1 . VAL 76 76 51870 1 . SER 77 77 51870 1 . GLY 78 78 51870 1 . PRO 79 79 51870 1 . ASP 80 80 51870 1 . GLY 81 81 51870 1 . ALA 82 82 51870 1 . PRO 83 83 51870 1 . VAL 84 84 51870 1 . GLN 85 85 51870 1 . GLY 86 86 51870 1 . ASN 87 87 51870 1 . SER 88 88 51870 1 . GLY 89 89 51870 1 . GLY 90 90 51870 1 . GLY 91 91 51870 1 . SER 92 92 51870 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51870 _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_1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . AT4G38680 . 51870 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51870 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . RP1B . . . 51870 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51870 _Sample.ID 1 _Sample.Name 13C/15N-AtGRP2-CSD _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 AtGRP2-CSD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.3 . . mM . . . . 51870 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51870 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51870 1 4 PMSF 'natural abundance' . . . . . . 250 . . uM . . . . 51870 1 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51870 1 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 51870 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51870 _Sample.ID 2 _Sample.Name 15N-AtGRP2-CSD _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 AtGRP2-CSD '[U-100% 15N]' . . 1 $entity_1 . . 1.3 . . mM . . . . 51870 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51870 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51870 2 4 PMSF 'natural abundance' . . . . . . 250 . . uM . . . . 51870 2 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51870 2 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 51870 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51870 _Sample.ID 3 _Sample.Name Unlabeled-AtGRP2-CSD _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 AtGRP2-CSD 'natural abundance' . . 1 $entity_1 . . 1.3 . . mM . . . . 51870 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51870 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51870 3 4 PMSF 'natural abundance' . . . . . . 250 . . uM . . . . 51870 3 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51870 3 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 51870 3 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 51870 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_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' 50 . mM 51870 1 pH 6.5 . pH 51870 1 pressure 1 . atm 51870 1 temperature 298 . K 51870 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51870 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51870 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51870 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51870 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51870 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51870 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51870 _Software.ID 4 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51870 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51870 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 900 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51870 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 5 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 7 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 8 '3D CC(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 9 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 10 '3D HC(C)H-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 11 '2D (HB)CB(CGCD)HD' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 12 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 13 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 14 '2D 1H-1H NOESY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 15 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51870 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51870 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site 'UConn Health' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51870 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name AtGRP2_CSD_chemical_shift_ref_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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51870 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51870 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51870 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51870 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name AtGRP2_CSD_chemical_shift_list _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 $chem_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' . . . 51870 1 2 '2D 1H-13C HSQC' . . . 51870 1 4 '3D HNCO' . . . 51870 1 5 '3D HN(CA)CO' . . . 51870 1 13 '2D 1H-1H TOCSY' . . . 51870 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 51870 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3 3 MET HA H 1 4.528 0.013 . 1 . . . . . 1 MET HA . 51870 1 2 . 1 . 1 3 3 MET HB2 H 1 1.988 0.011 . 2 . . . . . 1 MET HB2 . 51870 1 3 . 1 . 1 3 3 MET HB3 H 1 2.075 0.015 . 2 . . . . . 1 MET HB3 . 51870 1 4 . 1 . 1 3 3 MET HG2 H 1 2.556 0.000 . 2 . . . . . 1 MET HG2 . 51870 1 5 . 1 . 1 3 3 MET HG3 H 1 2.483 0.003 . 2 . . . . . 1 MET HG3 . 51870 1 6 . 1 . 1 3 3 MET HE1 H 1 2.086 0.016 . 1 . . . . . 1 MET HE1 . 51870 1 7 . 1 . 1 3 3 MET HE2 H 1 2.086 0.016 . 1 . . . . . 1 MET HE2 . 51870 1 8 . 1 . 1 3 3 MET HE3 H 1 2.086 0.016 . 1 . . . . . 1 MET HE3 . 51870 1 9 . 1 . 1 3 3 MET C C 13 175.450 0.000 . 1 . . . . . 1 MET C . 51870 1 10 . 1 . 1 3 3 MET CA C 13 55.483 0.121 . 1 . . . . . 1 MET CA . 51870 1 11 . 1 . 1 3 3 MET CB C 13 32.821 0.001 . 1 . . . . . 1 MET CB . 51870 1 12 . 1 . 1 3 3 MET CG C 13 31.980 0.000 . 1 . . . . . 1 MET CG . 51870 1 13 . 1 . 1 3 3 MET CE C 13 17.124 0.118 . 1 . . . . . 1 MET CE . 51870 1 14 . 1 . 1 4 4 SER H H 1 8.423 0.007 . 1 . . . . . 2 SER H . 51870 1 15 . 1 . 1 4 4 SER HA H 1 4.433 0.023 . 1 . . . . . 2 SER HA . 51870 1 16 . 1 . 1 4 4 SER HB2 H 1 3.916 0.000 . 1 . . . . . 2 SER HB2 . 51870 1 17 . 1 . 1 4 4 SER HB3 H 1 3.902 0.017 . 1 . . . . . 2 SER HB3 . 51870 1 18 . 1 . 1 4 4 SER C C 13 175.026 0.000 . 1 . . . . . 2 SER C . 51870 1 19 . 1 . 1 4 4 SER CA C 13 58.636 0.105 . 1 . . . . . 2 SER CA . 51870 1 20 . 1 . 1 4 4 SER CB C 13 63.768 0.074 . 1 . . . . . 2 SER CB . 51870 1 21 . 1 . 1 4 4 SER N N 15 117.017 0.107 . 1 . . . . . 2 SER N . 51870 1 22 . 1 . 1 5 5 GLY H H 1 8.471 0.010 . 1 . . . . . 3 GLY H . 51870 1 23 . 1 . 1 5 5 GLY HA2 H 1 3.994 0.015 . 1 . . . . . 3 GLY HA2 . 51870 1 24 . 1 . 1 5 5 GLY HA3 H 1 3.993 0.015 . 1 . . . . . 3 GLY HA3 . 51870 1 25 . 1 . 1 5 5 GLY C C 13 173.931 0.000 . 1 . . . . . 3 GLY C . 51870 1 26 . 1 . 1 5 5 GLY CA C 13 45.349 0.113 . 1 . . . . . 3 GLY CA . 51870 1 27 . 1 . 1 5 5 GLY N N 15 111.074 0.038 . 1 . . . . . 3 GLY N . 51870 1 28 . 1 . 1 6 6 ASP H H 1 8.212 0.010 . 1 . . . . . 4 ASP H . 51870 1 29 . 1 . 1 6 6 ASP HA H 1 4.627 0.024 . 1 . . . . . 4 ASP HA . 51870 1 30 . 1 . 1 6 6 ASP HB2 H 1 2.726 0.014 . 2 . . . . . 4 ASP HB2 . 51870 1 31 . 1 . 1 6 6 ASP HB3 H 1 2.647 0.011 . 2 . . . . . 4 ASP HB3 . 51870 1 32 . 1 . 1 6 6 ASP C C 13 176.218 0.000 . 1 . . . . . 4 ASP C . 51870 1 33 . 1 . 1 6 6 ASP CA C 13 54.353 0.000 . 1 . . . . . 4 ASP CA . 51870 1 34 . 1 . 1 6 6 ASP CB C 13 41.276 0.009 . 1 . . . . . 4 ASP CB . 51870 1 35 . 1 . 1 6 6 ASP N N 15 120.325 0.000 . 1 . . . . . 4 ASP N . 51870 1 36 . 1 . 1 7 7 ASN H H 1 8.484 0.009 . 1 . . . . . 5 ASN H . 51870 1 37 . 1 . 1 7 7 ASN HA H 1 4.765 0.024 . 1 . . . . . 5 ASN HA . 51870 1 38 . 1 . 1 7 7 ASN HB2 H 1 2.893 0.008 . 2 . . . . . 5 ASN HB2 . 51870 1 39 . 1 . 1 7 7 ASN HB3 H 1 2.786 0.017 . 2 . . . . . 5 ASN HB3 . 51870 1 40 . 1 . 1 7 7 ASN HD21 H 1 7.606 0.025 . 1 . . . . . 5 ASN HD21 . 51870 1 41 . 1 . 1 7 7 ASN HD22 H 1 6.919 0.000 . 1 . . . . . 5 ASN HD22 . 51870 1 42 . 1 . 1 7 7 ASN C C 13 175.857 0.000 . 1 . . . . . 5 ASN C . 51870 1 43 . 1 . 1 7 7 ASN CA C 13 53.286 0.009 . 1 . . . . . 5 ASN CA . 51870 1 44 . 1 . 1 7 7 ASN CB C 13 38.977 0.033 . 1 . . . . . 5 ASN CB . 51870 1 45 . 1 . 1 7 7 ASN N N 15 119.184 0.067 . 1 . . . . . 5 ASN N . 51870 1 46 . 1 . 1 7 7 ASN ND2 N 15 112.967 0.206 . 1 . . . . . 5 ASN ND2 . 51870 1 47 . 1 . 1 8 8 GLY H H 1 8.472 0.011 . 1 . . . . . 6 GLY H . 51870 1 48 . 1 . 1 8 8 GLY HA2 H 1 3.999 0.016 . 1 . . . . . 6 GLY HA2 . 51870 1 49 . 1 . 1 8 8 GLY HA3 H 1 4.000 0.020 . 1 . . . . . 6 GLY HA3 . 51870 1 50 . 1 . 1 8 8 GLY C C 13 174.818 0.000 . 1 . . . . . 6 GLY C . 51870 1 51 . 1 . 1 8 8 GLY CA C 13 45.412 0.120 . 1 . . . . . 6 GLY CA . 51870 1 52 . 1 . 1 8 8 GLY N N 15 109.212 0.038 . 1 . . . . . 6 GLY N . 51870 1 53 . 1 . 1 9 9 GLY H H 1 8.342 0.015 . 1 . . . . . 7 GLY H . 51870 1 54 . 1 . 1 9 9 GLY HA2 H 1 4.013 0.021 . 1 . . . . . 7 GLY HA2 . 51870 1 55 . 1 . 1 9 9 GLY HA3 H 1 4.013 0.022 . 1 . . . . . 7 GLY HA3 . 51870 1 56 . 1 . 1 9 9 GLY C C 13 174.782 0.000 . 1 . . . . . 7 GLY C . 51870 1 57 . 1 . 1 9 9 GLY CA C 13 45.394 0.128 . 1 . . . . . 7 GLY CA . 51870 1 58 . 1 . 1 9 9 GLY N N 15 109.017 0.090 . 1 . . . . . 7 GLY N . 51870 1 59 . 1 . 1 10 10 GLY H H 1 8.365 0.014 . 1 . . . . . 8 GLY H . 51870 1 60 . 1 . 1 10 10 GLY HA2 H 1 3.993 0.016 . 1 . . . . . 8 GLY HA2 . 51870 1 61 . 1 . 1 10 10 GLY HA3 H 1 3.996 0.015 . 1 . . . . . 8 GLY HA3 . 51870 1 62 . 1 . 1 10 10 GLY C C 13 173.858 0.000 . 1 . . . . . 8 GLY C . 51870 1 63 . 1 . 1 10 10 GLY CA C 13 45.428 0.121 . 1 . . . . . 8 GLY CA . 51870 1 64 . 1 . 1 10 10 GLY N N 15 109.179 0.073 . 1 . . . . . 8 GLY N . 51870 1 65 . 1 . 1 11 11 GLU H H 1 8.343 0.013 . 1 . . . . . 9 GLU H . 51870 1 66 . 1 . 1 11 11 GLU HA H 1 4.279 0.014 . 1 . . . . . 9 GLU HA . 51870 1 67 . 1 . 1 11 11 GLU HB2 H 1 2.036 0.023 . 2 . . . . . 9 GLU HB2 . 51870 1 68 . 1 . 1 11 11 GLU HB3 H 1 1.897 0.019 . 2 . . . . . 9 GLU HB3 . 51870 1 69 . 1 . 1 11 11 GLU HG2 H 1 2.265 0.017 . 2 . . . . . 9 GLU HG2 . 51870 1 70 . 1 . 1 11 11 GLU HG3 H 1 2.197 0.024 . 2 . . . . . 9 GLU HG3 . 51870 1 71 . 1 . 1 11 11 GLU C C 13 176.028 0.000 . 1 . . . . . 9 GLU C . 51870 1 72 . 1 . 1 11 11 GLU CA C 13 56.298 0.040 . 1 . . . . . 9 GLU CA . 51870 1 73 . 1 . 1 11 11 GLU CB C 13 30.408 0.074 . 1 . . . . . 9 GLU CB . 51870 1 74 . 1 . 1 11 11 GLU CG C 13 36.346 0.187 . 1 . . . . . 9 GLU CG . 51870 1 75 . 1 . 1 11 11 GLU N N 15 120.666 0.048 . 1 . . . . . 9 GLU N . 51870 1 76 . 1 . 1 12 12 ARG H H 1 8.345 0.012 . 1 . . . . . 10 ARG H . 51870 1 77 . 1 . 1 12 12 ARG HA H 1 4.276 0.017 . 1 . . . . . 10 ARG HA . 51870 1 78 . 1 . 1 12 12 ARG HB2 H 1 1.536 0.017 . 2 . . . . . 10 ARG HB2 . 51870 1 79 . 1 . 1 12 12 ARG HB3 H 1 1.586 0.020 . 2 . . . . . 10 ARG HB3 . 51870 1 80 . 1 . 1 12 12 ARG HG2 H 1 1.571 0.023 . 2 . . . . . 10 ARG HG2 . 51870 1 81 . 1 . 1 12 12 ARG HG3 H 1 1.468 0.006 . 2 . . . . . 10 ARG HG3 . 51870 1 82 . 1 . 1 12 12 ARG HD2 H 1 3.122 0.013 . 2 . . . . . 10 ARG HD2 . 51870 1 83 . 1 . 1 12 12 ARG HD3 H 1 3.130 0.014 . 2 . . . . . 10 ARG HD3 . 51870 1 84 . 1 . 1 12 12 ARG C C 13 176.007 0.000 . 1 . . . . . 10 ARG C . 51870 1 85 . 1 . 1 12 12 ARG CA C 13 56.305 0.057 . 1 . . . . . 10 ARG CA . 51870 1 86 . 1 . 1 12 12 ARG CB C 13 29.956 0.012 . 1 . . . . . 10 ARG CB . 51870 1 87 . 1 . 1 12 12 ARG CG C 13 26.967 0.278 . 1 . . . . . 10 ARG CG . 51870 1 88 . 1 . 1 12 12 ARG CD C 13 43.194 0.195 . 1 . . . . . 10 ARG CD . 51870 1 89 . 1 . 1 12 12 ARG N N 15 123.620 0.023 . 1 . . . . . 10 ARG N . 51870 1 90 . 1 . 1 13 13 ARG H H 1 8.427 0.008 . 1 . . . . . 11 ARG H . 51870 1 91 . 1 . 1 13 13 ARG HA H 1 4.249 0.019 . 1 . . . . . 11 ARG HA . 51870 1 92 . 1 . 1 13 13 ARG HB2 H 1 1.467 0.015 . 2 . . . . . 11 ARG HB2 . 51870 1 93 . 1 . 1 13 13 ARG HB3 H 1 0.618 0.015 . 2 . . . . . 11 ARG HB3 . 51870 1 94 . 1 . 1 13 13 ARG HG2 H 1 1.558 0.022 . 2 . . . . . 11 ARG HG2 . 51870 1 95 . 1 . 1 13 13 ARG HG3 H 1 1.552 0.021 . 2 . . . . . 11 ARG HG3 . 51870 1 96 . 1 . 1 13 13 ARG HD2 H 1 3.129 0.013 . 1 . . . . . 11 ARG HD2 . 51870 1 97 . 1 . 1 13 13 ARG HD3 H 1 3.128 0.011 . 1 . . . . . 11 ARG HD3 . 51870 1 98 . 1 . 1 13 13 ARG C C 13 173.796 0.000 . 1 . . . . . 11 ARG C . 51870 1 99 . 1 . 1 13 13 ARG CA C 13 54.308 0.156 . 1 . . . . . 11 ARG CA . 51870 1 100 . 1 . 1 13 13 ARG CB C 13 32.612 0.053 . 1 . . . . . 11 ARG CB . 51870 1 101 . 1 . 1 13 13 ARG CG C 13 26.673 0.415 . 1 . . . . . 11 ARG CG . 51870 1 102 . 1 . 1 13 13 ARG CD C 13 43.187 0.172 . 1 . . . . . 11 ARG CD . 51870 1 103 . 1 . 1 13 13 ARG N N 15 124.740 0.020 . 1 . . . . . 11 ARG N . 51870 1 104 . 1 . 1 14 14 LYS H H 1 7.915 0.014 . 1 . . . . . 12 LYS H . 51870 1 105 . 1 . 1 14 14 LYS HA H 1 5.094 0.014 . 1 . . . . . 12 LYS HA . 51870 1 106 . 1 . 1 14 14 LYS HB2 H 1 1.717 0.013 . 2 . . . . . 12 LYS HB2 . 51870 1 107 . 1 . 1 14 14 LYS HB3 H 1 2.038 0.016 . 2 . . . . . 12 LYS HB3 . 51870 1 108 . 1 . 1 14 14 LYS HG2 H 1 1.454 0.014 . 1 . . . . . 12 LYS HG2 . 51870 1 109 . 1 . 1 14 14 LYS HG3 H 1 1.452 0.013 . 1 . . . . . 12 LYS HG3 . 51870 1 110 . 1 . 1 14 14 LYS HD2 H 1 1.708 0.010 . 1 . . . . . 12 LYS HD2 . 51870 1 111 . 1 . 1 14 14 LYS HD3 H 1 1.709 0.011 . 1 . . . . . 12 LYS HD3 . 51870 1 112 . 1 . 1 14 14 LYS HE2 H 1 3.013 0.006 . 1 . . . . . 12 LYS HE2 . 51870 1 113 . 1 . 1 14 14 LYS HE3 H 1 3.013 0.006 . 1 . . . . . 12 LYS HE3 . 51870 1 114 . 1 . 1 14 14 LYS C C 13 177.851 0.000 . 1 . . . . . 12 LYS C . 51870 1 115 . 1 . 1 14 14 LYS CA C 13 54.820 0.058 . 1 . . . . . 12 LYS CA . 51870 1 116 . 1 . 1 14 14 LYS CB C 13 35.730 0.041 . 1 . . . . . 12 LYS CB . 51870 1 117 . 1 . 1 14 14 LYS CG C 13 25.742 0.228 . 1 . . . . . 12 LYS CG . 51870 1 118 . 1 . 1 14 14 LYS CD C 13 29.484 0.048 . 1 . . . . . 12 LYS CD . 51870 1 119 . 1 . 1 14 14 LYS CE C 13 42.229 0.007 . 1 . . . . . 12 LYS CE . 51870 1 120 . 1 . 1 14 14 LYS N N 15 115.618 0.041 . 1 . . . . . 12 LYS N . 51870 1 121 . 1 . 1 15 15 GLY H H 1 8.595 0.008 . 1 . . . . . 13 GLY H . 51870 1 122 . 1 . 1 15 15 GLY HA2 H 1 4.651 0.008 . 2 . . . . . 13 GLY HA2 . 51870 1 123 . 1 . 1 15 15 GLY HA3 H 1 3.988 0.014 . 2 . . . . . 13 GLY HA3 . 51870 1 124 . 1 . 1 15 15 GLY C C 13 171.225 0.000 . 1 . . . . . 13 GLY C . 51870 1 125 . 1 . 1 15 15 GLY CA C 13 46.429 0.024 . 1 . . . . . 13 GLY CA . 51870 1 126 . 1 . 1 15 15 GLY N N 15 108.041 0.029 . 1 . . . . . 13 GLY N . 51870 1 127 . 1 . 1 16 16 SER H H 1 8.495 0.008 . 1 . . . . . 14 SER H . 51870 1 128 . 1 . 1 16 16 SER HA H 1 5.530 0.007 . 1 . . . . . 14 SER HA . 51870 1 129 . 1 . 1 16 16 SER HB2 H 1 3.699 0.014 . 2 . . . . . 14 SER HB2 . 51870 1 130 . 1 . 1 16 16 SER HB3 H 1 3.552 0.015 . 2 . . . . . 14 SER HB3 . 51870 1 131 . 1 . 1 16 16 SER C C 13 173.755 0.000 . 1 . . . . . 14 SER C . 51870 1 132 . 1 . 1 16 16 SER CA C 13 56.300 0.104 . 1 . . . . . 14 SER CA . 51870 1 133 . 1 . 1 16 16 SER CB C 13 66.028 0.116 . 1 . . . . . 14 SER CB . 51870 1 134 . 1 . 1 16 16 SER N N 15 114.983 0.050 . 1 . . . . . 14 SER N . 51870 1 135 . 1 . 1 17 17 VAL H H 1 8.671 0.010 . 1 . . . . . 15 VAL H . 51870 1 136 . 1 . 1 17 17 VAL HA H 1 3.616 0.016 . 1 . . . . . 15 VAL HA . 51870 1 137 . 1 . 1 17 17 VAL HB H 1 2.471 0.012 . 1 . . . . . 15 VAL HB . 51870 1 138 . 1 . 1 17 17 VAL HG11 H 1 0.521 0.010 . 2 . . . . . 15 VAL HG11 . 51870 1 139 . 1 . 1 17 17 VAL HG12 H 1 0.521 0.010 . 2 . . . . . 15 VAL HG12 . 51870 1 140 . 1 . 1 17 17 VAL HG13 H 1 0.521 0.010 . 2 . . . . . 15 VAL HG13 . 51870 1 141 . 1 . 1 17 17 VAL HG21 H 1 0.921 0.013 . 2 . . . . . 15 VAL HG21 . 51870 1 142 . 1 . 1 17 17 VAL HG22 H 1 0.921 0.013 . 2 . . . . . 15 VAL HG22 . 51870 1 143 . 1 . 1 17 17 VAL HG23 H 1 0.921 0.013 . 2 . . . . . 15 VAL HG23 . 51870 1 144 . 1 . 1 17 17 VAL C C 13 175.848 0.000 . 1 . . . . . 15 VAL C . 51870 1 145 . 1 . 1 17 17 VAL CA C 13 64.638 0.144 . 1 . . . . . 15 VAL CA . 51870 1 146 . 1 . 1 17 17 VAL CB C 13 31.900 0.086 . 1 . . . . . 15 VAL CB . 51870 1 147 . 1 . 1 17 17 VAL CG1 C 13 21.060 0.042 . 2 . . . . . 15 VAL CG1 . 51870 1 148 . 1 . 1 17 17 VAL CG2 C 13 25.001 0.076 . 2 . . . . . 15 VAL CG2 . 51870 1 149 . 1 . 1 17 17 VAL N N 15 124.889 0.028 . 1 . . . . . 15 VAL N . 51870 1 150 . 1 . 1 18 18 LYS H H 1 9.329 0.008 . 1 . . . . . 16 LYS H . 51870 1 151 . 1 . 1 18 18 LYS HA H 1 4.325 0.012 . 1 . . . . . 16 LYS HA . 51870 1 152 . 1 . 1 18 18 LYS HB2 H 1 1.999 0.011 . 2 . . . . . 16 LYS HB2 . 51870 1 153 . 1 . 1 18 18 LYS HB3 H 1 1.592 0.017 . 2 . . . . . 16 LYS HB3 . 51870 1 154 . 1 . 1 18 18 LYS HG2 H 1 1.600 0.012 . 1 . . . . . 16 LYS HG2 . 51870 1 155 . 1 . 1 18 18 LYS HG3 H 1 1.602 0.014 . 1 . . . . . 16 LYS HG3 . 51870 1 156 . 1 . 1 18 18 LYS HD2 H 1 1.650 0.013 . 1 . . . . . 16 LYS HD2 . 51870 1 157 . 1 . 1 18 18 LYS HD3 H 1 1.650 0.013 . 1 . . . . . 16 LYS HD3 . 51870 1 158 . 1 . 1 18 18 LYS HE2 H 1 3.096 0.035 . 1 . . . . . 16 LYS HE2 . 51870 1 159 . 1 . 1 18 18 LYS HE3 H 1 3.094 0.035 . 1 . . . . . 16 LYS HE3 . 51870 1 160 . 1 . 1 18 18 LYS C C 13 176.436 0.000 . 1 . . . . . 16 LYS C . 51870 1 161 . 1 . 1 18 18 LYS CA C 13 58.765 0.066 . 1 . . . . . 16 LYS CA . 51870 1 162 . 1 . 1 18 18 LYS CB C 13 33.760 0.032 . 1 . . . . . 16 LYS CB . 51870 1 163 . 1 . 1 18 18 LYS CG C 13 25.110 0.034 . 1 . . . . . 16 LYS CG . 51870 1 164 . 1 . 1 18 18 LYS CD C 13 29.232 0.013 . 1 . . . . . 16 LYS CD . 51870 1 165 . 1 . 1 18 18 LYS CE C 13 43.029 0.364 . 1 . . . . . 16 LYS CE . 51870 1 166 . 1 . 1 18 18 LYS N N 15 134.789 0.026 . 1 . . . . . 16 LYS N . 51870 1 167 . 1 . 1 19 19 TRP H H 1 7.448 0.004 . 1 . . . . . 17 TRP H . 51870 1 168 . 1 . 1 19 19 TRP HA H 1 4.638 0.008 . 1 . . . . . 17 TRP HA . 51870 1 169 . 1 . 1 19 19 TRP HB2 H 1 3.517 0.007 . 2 . . . . . 17 TRP HB2 . 51870 1 170 . 1 . 1 19 19 TRP HB3 H 1 3.410 0.012 . 2 . . . . . 17 TRP HB3 . 51870 1 171 . 1 . 1 19 19 TRP HD1 H 1 7.069 0.021 . 1 . . . . . 17 TRP HD1 . 51870 1 172 . 1 . 1 19 19 TRP HE1 H 1 10.422 0.002 . 1 . . . . . 17 TRP HE1 . 51870 1 173 . 1 . 1 19 19 TRP HE3 H 1 7.081 0.010 . 1 . . . . . 17 TRP HE3 . 51870 1 174 . 1 . 1 19 19 TRP C C 13 173.294 0.000 . 1 . . . . . 17 TRP C . 51870 1 175 . 1 . 1 19 19 TRP CA C 13 55.704 0.163 . 1 . . . . . 17 TRP CA . 51870 1 176 . 1 . 1 19 19 TRP CB C 13 31.292 0.170 . 1 . . . . . 17 TRP CB . 51870 1 177 . 1 . 1 19 19 TRP N N 15 111.371 0.037 . 1 . . . . . 17 TRP N . 51870 1 178 . 1 . 1 19 19 TRP NE1 N 15 130.037 0.083 . 1 . . . . . 17 TRP NE1 . 51870 1 179 . 1 . 1 20 20 PHE H H 1 9.072 0.007 . 1 . . . . . 18 PHE H . 51870 1 180 . 1 . 1 20 20 PHE HA H 1 4.245 0.011 . 1 . . . . . 18 PHE HA . 51870 1 181 . 1 . 1 20 20 PHE HB2 H 1 2.905 0.011 . 2 . . . . . 18 PHE HB2 . 51870 1 182 . 1 . 1 20 20 PHE HB3 H 1 2.425 0.013 . 2 . . . . . 18 PHE HB3 . 51870 1 183 . 1 . 1 20 20 PHE HD1 H 1 6.734 0.013 . 1 . . . . . 18 PHE HD1 . 51870 1 184 . 1 . 1 20 20 PHE HD2 H 1 6.734 0.013 . 1 . . . . . 18 PHE HD2 . 51870 1 185 . 1 . 1 20 20 PHE HE1 H 1 6.979 0.007 . 1 . . . . . 18 PHE HE1 . 51870 1 186 . 1 . 1 20 20 PHE HE2 H 1 6.979 0.007 . 1 . . . . . 18 PHE HE2 . 51870 1 187 . 1 . 1 20 20 PHE HZ H 1 6.606 0.010 . 1 . . . . . 18 PHE HZ . 51870 1 188 . 1 . 1 20 20 PHE C C 13 172.387 0.000 . 1 . . . . . 18 PHE C . 51870 1 189 . 1 . 1 20 20 PHE CA C 13 59.562 0.059 . 1 . . . . . 18 PHE CA . 51870 1 190 . 1 . 1 20 20 PHE CB C 13 42.488 0.029 . 1 . . . . . 18 PHE CB . 51870 1 191 . 1 . 1 20 20 PHE N N 15 120.163 0.082 . 1 . . . . . 18 PHE N . 51870 1 192 . 1 . 1 21 21 ASP H H 1 8.103 0.011 . 1 . . . . . 19 ASP H . 51870 1 193 . 1 . 1 21 21 ASP HA H 1 4.983 0.016 . 1 . . . . . 19 ASP HA . 51870 1 194 . 1 . 1 21 21 ASP HB2 H 1 2.443 0.010 . 2 . . . . . 19 ASP HB2 . 51870 1 195 . 1 . 1 21 21 ASP HB3 H 1 2.661 0.011 . 2 . . . . . 19 ASP HB3 . 51870 1 196 . 1 . 1 21 21 ASP C C 13 175.782 0.000 . 1 . . . . . 19 ASP C . 51870 1 197 . 1 . 1 21 21 ASP CA C 13 52.259 0.202 . 1 . . . . . 19 ASP CA . 51870 1 198 . 1 . 1 21 21 ASP CB C 13 42.843 0.034 . 1 . . . . . 19 ASP CB . 51870 1 199 . 1 . 1 21 21 ASP N N 15 129.352 0.101 . 1 . . . . . 19 ASP N . 51870 1 200 . 1 . 1 22 22 THR H H 1 8.868 0.006 . 1 . . . . . 20 THR H . 51870 1 201 . 1 . 1 22 22 THR HA H 1 4.034 0.006 . 1 . . . . . 20 THR HA . 51870 1 202 . 1 . 1 22 22 THR HB H 1 4.376 0.006 . 1 . . . . . 20 THR HB . 51870 1 203 . 1 . 1 22 22 THR C C 13 175.831 0.000 . 1 . . . . . 20 THR C . 51870 1 204 . 1 . 1 22 22 THR CA C 13 65.006 0.081 . 1 . . . . . 20 THR CA . 51870 1 205 . 1 . 1 22 22 THR CB C 13 68.862 0.100 . 1 . . . . . 20 THR CB . 51870 1 206 . 1 . 1 22 22 THR N N 15 119.835 0.064 . 1 . . . . . 20 THR N . 51870 1 207 . 1 . 1 23 23 GLN H H 1 8.311 0.009 . 1 . . . . . 21 GLN H . 51870 1 208 . 1 . 1 23 23 GLN HA H 1 4.193 0.012 . 1 . . . . . 21 GLN HA . 51870 1 209 . 1 . 1 23 23 GLN HB2 H 1 2.221 0.021 . 2 . . . . . 21 GLN HB2 . 51870 1 210 . 1 . 1 23 23 GLN HB3 H 1 2.200 0.009 . 2 . . . . . 21 GLN HB3 . 51870 1 211 . 1 . 1 23 23 GLN HG2 H 1 2.458 0.026 . 2 . . . . . 21 GLN HG2 . 51870 1 212 . 1 . 1 23 23 GLN HG3 H 1 2.390 0.022 . 2 . . . . . 21 GLN HG3 . 51870 1 213 . 1 . 1 23 23 GLN HE21 H 1 7.568 0.016 . 1 . . . . . 21 GLN HE21 . 51870 1 214 . 1 . 1 23 23 GLN HE22 H 1 6.861 0.013 . 1 . . . . . 21 GLN HE22 . 51870 1 215 . 1 . 1 23 23 GLN C C 13 178.149 0.000 . 1 . . . . . 21 GLN C . 51870 1 216 . 1 . 1 23 23 GLN CA C 13 58.451 0.015 . 1 . . . . . 21 GLN CA . 51870 1 217 . 1 . 1 23 23 GLN CB C 13 28.458 0.034 . 1 . . . . . 21 GLN CB . 51870 1 218 . 1 . 1 23 23 GLN CG C 13 34.167 0.199 . 1 . . . . . 21 GLN CG . 51870 1 219 . 1 . 1 23 23 GLN N N 15 121.070 0.040 . 1 . . . . . 21 GLN N . 51870 1 220 . 1 . 1 23 23 GLN NE2 N 15 112.764 0.007 . 1 . . . . . 21 GLN NE2 . 51870 1 221 . 1 . 1 24 24 LYS H H 1 7.799 0.011 . 1 . . . . . 22 LYS H . 51870 1 222 . 1 . 1 24 24 LYS HA H 1 4.179 0.013 . 1 . . . . . 22 LYS HA . 51870 1 223 . 1 . 1 24 24 LYS HB2 H 1 1.104 0.009 . 2 . . . . . 22 LYS HB2 . 51870 1 224 . 1 . 1 24 24 LYS HB3 H 1 1.702 0.015 . 2 . . . . . 22 LYS HB3 . 51870 1 225 . 1 . 1 24 24 LYS HG2 H 1 1.455 0.022 . 2 . . . . . 22 LYS HG2 . 51870 1 226 . 1 . 1 24 24 LYS HG3 H 1 1.359 0.011 . 2 . . . . . 22 LYS HG3 . 51870 1 227 . 1 . 1 24 24 LYS HD2 H 1 1.519 0.019 . 2 . . . . . 22 LYS HD2 . 51870 1 228 . 1 . 1 24 24 LYS HD3 H 1 1.610 0.011 . 2 . . . . . 22 LYS HD3 . 51870 1 229 . 1 . 1 24 24 LYS HE2 H 1 3.148 0.004 . 2 . . . . . 22 LYS HE2 . 51870 1 230 . 1 . 1 24 24 LYS HE3 H 1 3.001 0.011 . 2 . . . . . 22 LYS HE3 . 51870 1 231 . 1 . 1 24 24 LYS C C 13 177.494 0.000 . 1 . . . . . 22 LYS C . 51870 1 232 . 1 . 1 24 24 LYS CA C 13 57.229 0.128 . 1 . . . . . 22 LYS CA . 51870 1 233 . 1 . 1 24 24 LYS CB C 13 33.564 0.024 . 1 . . . . . 22 LYS CB . 51870 1 234 . 1 . 1 24 24 LYS CG C 13 25.953 0.218 . 1 . . . . . 22 LYS CG . 51870 1 235 . 1 . 1 24 24 LYS CD C 13 29.146 0.009 . 1 . . . . . 22 LYS CD . 51870 1 236 . 1 . 1 24 24 LYS CE C 13 40.399 0.019 . 1 . . . . . 22 LYS CE . 51870 1 237 . 1 . 1 24 24 LYS N N 15 117.614 0.061 . 1 . . . . . 22 LYS N . 51870 1 238 . 1 . 1 25 25 GLY H H 1 8.187 0.012 . 1 . . . . . 23 GLY H . 51870 1 239 . 1 . 1 25 25 GLY HA2 H 1 3.578 0.011 . 2 . . . . . 23 GLY HA2 . 51870 1 240 . 1 . 1 25 25 GLY HA3 H 1 3.973 0.021 . 2 . . . . . 23 GLY HA3 . 51870 1 241 . 1 . 1 25 25 GLY C C 13 172.048 0.000 . 1 . . . . . 23 GLY C . 51870 1 242 . 1 . 1 25 25 GLY CA C 13 45.867 0.326 . 1 . . . . . 23 GLY CA . 51870 1 243 . 1 . 1 25 25 GLY N N 15 107.158 0.042 . 1 . . . . . 23 GLY N . 51870 1 244 . 1 . 1 26 26 PHE H H 1 6.638 0.017 . 1 . . . . . 24 PHE H . 51870 1 245 . 1 . 1 26 26 PHE HA H 1 4.797 0.017 . 1 . . . . . 24 PHE HA . 51870 1 246 . 1 . 1 26 26 PHE HB2 H 1 2.902 0.016 . 2 . . . . . 24 PHE HB2 . 51870 1 247 . 1 . 1 26 26 PHE HB3 H 1 2.762 0.010 . 2 . . . . . 24 PHE HB3 . 51870 1 248 . 1 . 1 26 26 PHE HD1 H 1 6.902 0.010 . 1 . . . . . 24 PHE HD1 . 51870 1 249 . 1 . 1 26 26 PHE HD2 H 1 6.902 0.010 . 1 . . . . . 24 PHE HD2 . 51870 1 250 . 1 . 1 26 26 PHE HE1 H 1 7.573 0.009 . 1 . . . . . 24 PHE HE1 . 51870 1 251 . 1 . 1 26 26 PHE HE2 H 1 7.573 0.009 . 1 . . . . . 24 PHE HE2 . 51870 1 252 . 1 . 1 26 26 PHE HZ H 1 7.540 0.010 . 1 . . . . . 24 PHE HZ . 51870 1 253 . 1 . 1 26 26 PHE C C 13 171.395 0.000 . 1 . . . . . 24 PHE C . 51870 1 254 . 1 . 1 26 26 PHE CA C 13 55.207 0.000 . 1 . . . . . 24 PHE CA . 51870 1 255 . 1 . 1 26 26 PHE CB C 13 42.185 0.022 . 1 . . . . . 24 PHE CB . 51870 1 256 . 1 . 1 26 26 PHE N N 15 112.321 0.061 . 1 . . . . . 24 PHE N . 51870 1 257 . 1 . 1 27 27 GLY H H 1 7.957 0.018 . 1 . . . . . 25 GLY H . 51870 1 258 . 1 . 1 27 27 GLY HA2 H 1 2.752 0.011 . 2 . . . . . 25 GLY HA2 . 51870 1 259 . 1 . 1 27 27 GLY HA3 H 1 3.822 0.015 . 2 . . . . . 25 GLY HA3 . 51870 1 260 . 1 . 1 27 27 GLY C C 13 170.284 0.000 . 1 . . . . . 25 GLY C . 51870 1 261 . 1 . 1 27 27 GLY CA C 13 45.125 0.082 . 1 . . . . . 25 GLY CA . 51870 1 262 . 1 . 1 27 27 GLY N N 15 105.247 0.076 . 1 . . . . . 25 GLY N . 51870 1 263 . 1 . 1 28 28 PHE H H 1 7.778 0.008 . 1 . . . . . 26 PHE H . 51870 1 264 . 1 . 1 28 28 PHE HA H 1 5.346 0.004 . 1 . . . . . 26 PHE HA . 51870 1 265 . 1 . 1 28 28 PHE HB2 H 1 2.142 0.011 . 2 . . . . . 26 PHE HB2 . 51870 1 266 . 1 . 1 28 28 PHE HB3 H 1 2.545 0.010 . 2 . . . . . 26 PHE HB3 . 51870 1 267 . 1 . 1 28 28 PHE HD1 H 1 6.698 0.030 . 1 . . . . . 26 PHE HD1 . 51870 1 268 . 1 . 1 28 28 PHE HD2 H 1 6.698 0.030 . 1 . . . . . 26 PHE HD2 . 51870 1 269 . 1 . 1 28 28 PHE HE1 H 1 6.684 0.023 . 1 . . . . . 26 PHE HE1 . 51870 1 270 . 1 . 1 28 28 PHE HE2 H 1 6.684 0.023 . 1 . . . . . 26 PHE HE2 . 51870 1 271 . 1 . 1 28 28 PHE HZ H 1 7.526 0.007 . 1 . . . . . 26 PHE HZ . 51870 1 272 . 1 . 1 28 28 PHE C C 13 174.874 0.000 . 1 . . . . . 26 PHE C . 51870 1 273 . 1 . 1 28 28 PHE CA C 13 56.388 0.051 . 1 . . . . . 26 PHE CA . 51870 1 274 . 1 . 1 28 28 PHE CB C 13 45.174 0.009 . 1 . . . . . 26 PHE CB . 51870 1 275 . 1 . 1 28 28 PHE N N 15 114.889 0.051 . 1 . . . . . 26 PHE N . 51870 1 276 . 1 . 1 29 29 ILE H H 1 9.503 0.008 . 1 . . . . . 27 ILE H . 51870 1 277 . 1 . 1 29 29 ILE HA H 1 4.207 0.015 . 1 . . . . . 27 ILE HA . 51870 1 278 . 1 . 1 29 29 ILE HB H 1 1.022 0.008 . 1 . . . . . 27 ILE HB . 51870 1 279 . 1 . 1 29 29 ILE HG12 H 1 0.530 0.012 . 2 . . . . . 27 ILE HG12 . 51870 1 280 . 1 . 1 29 29 ILE HG13 H 1 1.240 0.015 . 2 . . . . . 27 ILE HG13 . 51870 1 281 . 1 . 1 29 29 ILE HG21 H 1 0.207 0.012 . 1 . . . . . 27 ILE HG21 . 51870 1 282 . 1 . 1 29 29 ILE HG22 H 1 0.207 0.012 . 1 . . . . . 27 ILE HG22 . 51870 1 283 . 1 . 1 29 29 ILE HG23 H 1 0.207 0.012 . 1 . . . . . 27 ILE HG23 . 51870 1 284 . 1 . 1 29 29 ILE HD11 H 1 0.188 0.012 . 1 . . . . . 27 ILE HD11 . 51870 1 285 . 1 . 1 29 29 ILE HD12 H 1 0.188 0.012 . 1 . . . . . 27 ILE HD12 . 51870 1 286 . 1 . 1 29 29 ILE HD13 H 1 0.188 0.012 . 1 . . . . . 27 ILE HD13 . 51870 1 287 . 1 . 1 29 29 ILE C C 13 174.320 0.000 . 1 . . . . . 27 ILE C . 51870 1 288 . 1 . 1 29 29 ILE CA C 13 59.623 0.049 . 1 . . . . . 27 ILE CA . 51870 1 289 . 1 . 1 29 29 ILE CB C 13 42.662 0.072 . 1 . . . . . 27 ILE CB . 51870 1 290 . 1 . 1 29 29 ILE CG1 C 13 28.520 0.073 . 1 . . . . . 27 ILE CG1 . 51870 1 291 . 1 . 1 29 29 ILE CG2 C 13 17.389 0.087 . 1 . . . . . 27 ILE CG2 . 51870 1 292 . 1 . 1 29 29 ILE CD1 C 13 14.314 0.147 . 1 . . . . . 27 ILE CD1 . 51870 1 293 . 1 . 1 29 29 ILE N N 15 122.146 0.037 . 1 . . . . . 27 ILE N . 51870 1 294 . 1 . 1 30 30 THR H H 1 9.308 0.016 . 1 . . . . . 28 THR H . 51870 1 295 . 1 . 1 30 30 THR HA H 1 5.197 0.010 . 1 . . . . . 28 THR HA . 51870 1 296 . 1 . 1 30 30 THR HB H 1 3.910 0.001 . 1 . . . . . 28 THR HB . 51870 1 297 . 1 . 1 30 30 THR HG21 H 1 1.373 0.018 . 1 . . . . . 28 THR HG21 . 51870 1 298 . 1 . 1 30 30 THR HG22 H 1 1.373 0.018 . 1 . . . . . 28 THR HG22 . 51870 1 299 . 1 . 1 30 30 THR HG23 H 1 1.373 0.018 . 1 . . . . . 28 THR HG23 . 51870 1 300 . 1 . 1 30 30 THR C C 13 173.797 0.000 . 1 . . . . . 28 THR C . 51870 1 301 . 1 . 1 30 30 THR CA C 13 59.138 0.030 . 1 . . . . . 28 THR CA . 51870 1 302 . 1 . 1 30 30 THR CB C 13 70.591 0.070 . 1 . . . . . 28 THR CB . 51870 1 303 . 1 . 1 30 30 THR CG2 C 13 19.221 0.091 . 1 . . . . . 28 THR CG2 . 51870 1 304 . 1 . 1 30 30 THR N N 15 126.607 0.073 . 1 . . . . . 28 THR N . 51870 1 305 . 1 . 1 31 31 PRO HA H 1 4.780 0.014 . 1 . . . . . 29 PRO HA . 51870 1 306 . 1 . 1 31 31 PRO HB2 H 1 2.355 0.015 . 2 . . . . . 29 PRO HB2 . 51870 1 307 . 1 . 1 31 31 PRO HB3 H 1 2.479 0.012 . 2 . . . . . 29 PRO HB3 . 51870 1 308 . 1 . 1 31 31 PRO HG2 H 1 2.242 0.023 . 2 . . . . . 29 PRO HG2 . 51870 1 309 . 1 . 1 31 31 PRO HG3 H 1 2.209 0.018 . 2 . . . . . 29 PRO HG3 . 51870 1 310 . 1 . 1 31 31 PRO HD2 H 1 3.858 0.013 . 2 . . . . . 29 PRO HD2 . 51870 1 311 . 1 . 1 31 31 PRO HD3 H 1 4.168 0.008 . 2 . . . . . 29 PRO HD3 . 51870 1 312 . 1 . 1 31 31 PRO C C 13 177.072 0.000 . 1 . . . . . 29 PRO C . 51870 1 313 . 1 . 1 31 31 PRO CA C 13 62.928 0.000 . 1 . . . . . 29 PRO CA . 51870 1 314 . 1 . 1 31 31 PRO CB C 13 32.979 0.076 . 1 . . . . . 29 PRO CB . 51870 1 315 . 1 . 1 31 31 PRO CG C 13 27.380 0.104 . 1 . . . . . 29 PRO CG . 51870 1 316 . 1 . 1 31 31 PRO CD C 13 52.168 0.163 . 1 . . . . . 29 PRO CD . 51870 1 317 . 1 . 1 32 32 ASP H H 1 9.043 0.010 . 1 . . . . . 30 ASP H . 51870 1 318 . 1 . 1 32 32 ASP HA H 1 4.463 0.003 . 1 . . . . . 30 ASP HA . 51870 1 319 . 1 . 1 32 32 ASP HB2 H 1 2.645 0.011 . 1 . . . . . 30 ASP HB2 . 51870 1 320 . 1 . 1 32 32 ASP HB3 H 1 2.647 0.016 . 1 . . . . . 30 ASP HB3 . 51870 1 321 . 1 . 1 32 32 ASP C C 13 177.113 0.000 . 1 . . . . . 30 ASP C . 51870 1 322 . 1 . 1 32 32 ASP CA C 13 56.313 0.026 . 1 . . . . . 30 ASP CA . 51870 1 323 . 1 . 1 32 32 ASP CB C 13 40.405 0.006 . 1 . . . . . 30 ASP CB . 51870 1 324 . 1 . 1 32 32 ASP N N 15 124.270 0.042 . 1 . . . . . 30 ASP N . 51870 1 325 . 1 . 1 33 33 ASP H H 1 8.108 0.008 . 1 . . . . . 31 ASP H . 51870 1 326 . 1 . 1 33 33 ASP HA H 1 4.576 0.011 . 1 . . . . . 31 ASP HA . 51870 1 327 . 1 . 1 33 33 ASP HB2 H 1 2.986 0.011 . 2 . . . . . 31 ASP HB2 . 51870 1 328 . 1 . 1 33 33 ASP HB3 H 1 2.742 0.019 . 2 . . . . . 31 ASP HB3 . 51870 1 329 . 1 . 1 33 33 ASP C C 13 177.104 0.000 . 1 . . . . . 31 ASP C . 51870 1 330 . 1 . 1 33 33 ASP CA C 13 53.871 0.049 . 1 . . . . . 31 ASP CA . 51870 1 331 . 1 . 1 33 33 ASP CB C 13 40.460 0.105 . 1 . . . . . 31 ASP CB . 51870 1 332 . 1 . 1 33 33 ASP N N 15 115.822 0.026 . 1 . . . . . 31 ASP N . 51870 1 333 . 1 . 1 34 34 GLY H H 1 7.638 0.007 . 1 . . . . . 32 GLY H . 51870 1 334 . 1 . 1 34 34 GLY HA2 H 1 3.857 0.019 . 2 . . . . . 32 GLY HA2 . 51870 1 335 . 1 . 1 34 34 GLY HA3 H 1 4.257 0.015 . 2 . . . . . 32 GLY HA3 . 51870 1 336 . 1 . 1 34 34 GLY C C 13 174.588 0.000 . 1 . . . . . 32 GLY C . 51870 1 337 . 1 . 1 34 34 GLY CA C 13 45.290 0.139 . 1 . . . . . 32 GLY CA . 51870 1 338 . 1 . 1 34 34 GLY N N 15 107.416 0.043 . 1 . . . . . 32 GLY N . 51870 1 339 . 1 . 1 35 35 GLY H H 1 8.102 0.010 . 1 . . . . . 33 GLY H . 51870 1 340 . 1 . 1 35 35 GLY HA2 H 1 4.083 0.013 . 2 . . . . . 33 GLY HA2 . 51870 1 341 . 1 . 1 35 35 GLY HA3 H 1 4.049 0.014 . 2 . . . . . 33 GLY HA3 . 51870 1 342 . 1 . 1 35 35 GLY C C 13 172.249 0.000 . 1 . . . . . 33 GLY C . 51870 1 343 . 1 . 1 35 35 GLY CA C 13 44.142 0.000 . 1 . . . . . 33 GLY CA . 51870 1 344 . 1 . 1 35 35 GLY N N 15 106.696 0.065 . 1 . . . . . 33 GLY N . 51870 1 345 . 1 . 1 36 36 ASP H H 1 8.058 0.007 . 1 . . . . . 34 ASP H . 51870 1 346 . 1 . 1 36 36 ASP HA H 1 4.446 0.007 . 1 . . . . . 34 ASP HA . 51870 1 347 . 1 . 1 36 36 ASP HB2 H 1 2.763 0.016 . 2 . . . . . 34 ASP HB2 . 51870 1 348 . 1 . 1 36 36 ASP HB3 H 1 2.474 0.010 . 2 . . . . . 34 ASP HB3 . 51870 1 349 . 1 . 1 36 36 ASP C C 13 175.690 0.000 . 1 . . . . . 34 ASP C . 51870 1 350 . 1 . 1 36 36 ASP CA C 13 54.774 0.062 . 1 . . . . . 34 ASP CA . 51870 1 351 . 1 . 1 36 36 ASP CB C 13 41.540 0.028 . 1 . . . . . 34 ASP CB . 51870 1 352 . 1 . 1 36 36 ASP N N 15 118.566 0.066 . 1 . . . . . 34 ASP N . 51870 1 353 . 1 . 1 37 37 ASP H H 1 8.242 0.010 . 1 . . . . . 35 ASP H . 51870 1 354 . 1 . 1 37 37 ASP HA H 1 4.912 0.010 . 1 . . . . . 35 ASP HA . 51870 1 355 . 1 . 1 37 37 ASP HB2 H 1 2.433 0.014 . 1 . . . . . 35 ASP HB2 . 51870 1 356 . 1 . 1 37 37 ASP HB3 H 1 2.433 0.015 . 1 . . . . . 35 ASP HB3 . 51870 1 357 . 1 . 1 37 37 ASP C C 13 176.485 0.000 . 1 . . . . . 35 ASP C . 51870 1 358 . 1 . 1 37 37 ASP CA C 13 55.270 0.023 . 1 . . . . . 35 ASP CA . 51870 1 359 . 1 . 1 37 37 ASP CB C 13 41.395 0.024 . 1 . . . . . 35 ASP CB . 51870 1 360 . 1 . 1 37 37 ASP N N 15 118.366 0.080 . 1 . . . . . 35 ASP N . 51870 1 361 . 1 . 1 38 38 LEU H H 1 9.423 0.011 . 1 . . . . . 36 LEU H . 51870 1 362 . 1 . 1 38 38 LEU HA H 1 4.694 0.013 . 1 . . . . . 36 LEU HA . 51870 1 363 . 1 . 1 38 38 LEU HB2 H 1 1.272 0.014 . 1 . . . . . 36 LEU HB2 . 51870 1 364 . 1 . 1 38 38 LEU HB3 H 1 1.273 0.014 . 1 . . . . . 36 LEU HB3 . 51870 1 365 . 1 . 1 38 38 LEU HG H 1 1.606 0.027 . 1 . . . . . 36 LEU HG . 51870 1 366 . 1 . 1 38 38 LEU HD11 H 1 0.746 0.014 . 1 . . . . . 36 LEU HD11 . 51870 1 367 . 1 . 1 38 38 LEU HD12 H 1 0.746 0.014 . 1 . . . . . 36 LEU HD12 . 51870 1 368 . 1 . 1 38 38 LEU HD13 H 1 0.746 0.014 . 1 . . . . . 36 LEU HD13 . 51870 1 369 . 1 . 1 38 38 LEU HD21 H 1 0.743 0.015 . 1 . . . . . 36 LEU HD21 . 51870 1 370 . 1 . 1 38 38 LEU HD22 H 1 0.743 0.015 . 1 . . . . . 36 LEU HD22 . 51870 1 371 . 1 . 1 38 38 LEU HD23 H 1 0.743 0.015 . 1 . . . . . 36 LEU HD23 . 51870 1 372 . 1 . 1 38 38 LEU C C 13 175.406 0.000 . 1 . . . . . 36 LEU C . 51870 1 373 . 1 . 1 38 38 LEU CA C 13 54.060 0.165 . 1 . . . . . 36 LEU CA . 51870 1 374 . 1 . 1 38 38 LEU CB C 13 45.599 0.105 . 1 . . . . . 36 LEU CB . 51870 1 375 . 1 . 1 38 38 LEU CG C 13 26.689 0.227 . 1 . . . . . 36 LEU CG . 51870 1 376 . 1 . 1 38 38 LEU CD1 C 13 26.530 0.099 . 1 . . . . . 36 LEU CD1 . 51870 1 377 . 1 . 1 38 38 LEU N N 15 122.079 0.028 . 1 . . . . . 36 LEU N . 51870 1 378 . 1 . 1 39 39 PHE H H 1 8.481 0.013 . 1 . . . . . 37 PHE H . 51870 1 379 . 1 . 1 39 39 PHE HA H 1 3.651 0.010 . 1 . . . . . 37 PHE HA . 51870 1 380 . 1 . 1 39 39 PHE HB2 H 1 2.991 0.008 . 2 . . . . . 37 PHE HB2 . 51870 1 381 . 1 . 1 39 39 PHE HB3 H 1 2.749 0.017 . 2 . . . . . 37 PHE HB3 . 51870 1 382 . 1 . 1 39 39 PHE HD1 H 1 6.811 0.010 . 1 . . . . . 37 PHE HD1 . 51870 1 383 . 1 . 1 39 39 PHE HD2 H 1 6.811 0.010 . 1 . . . . . 37 PHE HD2 . 51870 1 384 . 1 . 1 39 39 PHE HE1 H 1 6.876 0.011 . 1 . . . . . 37 PHE HE1 . 51870 1 385 . 1 . 1 39 39 PHE HE2 H 1 6.876 0.011 . 1 . . . . . 37 PHE HE2 . 51870 1 386 . 1 . 1 39 39 PHE HZ H 1 6.958 0.003 . 1 . . . . . 37 PHE HZ . 51870 1 387 . 1 . 1 39 39 PHE C C 13 172.558 0.000 . 1 . . . . . 37 PHE C . 51870 1 388 . 1 . 1 39 39 PHE CA C 13 58.303 0.041 . 1 . . . . . 37 PHE CA . 51870 1 389 . 1 . 1 39 39 PHE CB C 13 40.387 0.199 . 1 . . . . . 37 PHE CB . 51870 1 390 . 1 . 1 39 39 PHE N N 15 126.444 0.062 . 1 . . . . . 37 PHE N . 51870 1 391 . 1 . 1 40 40 VAL H H 1 7.646 0.009 . 1 . . . . . 38 VAL H . 51870 1 392 . 1 . 1 40 40 VAL HA H 1 4.535 0.012 . 1 . . . . . 38 VAL HA . 51870 1 393 . 1 . 1 40 40 VAL HB H 1 1.560 0.017 . 1 . . . . . 38 VAL HB . 51870 1 394 . 1 . 1 40 40 VAL HG11 H 1 0.674 0.014 . 2 . . . . . 38 VAL HG11 . 51870 1 395 . 1 . 1 40 40 VAL HG12 H 1 0.674 0.014 . 2 . . . . . 38 VAL HG12 . 51870 1 396 . 1 . 1 40 40 VAL HG13 H 1 0.674 0.014 . 2 . . . . . 38 VAL HG13 . 51870 1 397 . 1 . 1 40 40 VAL HG21 H 1 0.445 0.014 . 2 . . . . . 38 VAL HG21 . 51870 1 398 . 1 . 1 40 40 VAL HG22 H 1 0.445 0.014 . 2 . . . . . 38 VAL HG22 . 51870 1 399 . 1 . 1 40 40 VAL HG23 H 1 0.445 0.014 . 2 . . . . . 38 VAL HG23 . 51870 1 400 . 1 . 1 40 40 VAL C C 13 170.626 0.000 . 1 . . . . . 38 VAL C . 51870 1 401 . 1 . 1 40 40 VAL CA C 13 58.075 0.105 . 1 . . . . . 38 VAL CA . 51870 1 402 . 1 . 1 40 40 VAL CB C 13 34.740 0.043 . 1 . . . . . 38 VAL CB . 51870 1 403 . 1 . 1 40 40 VAL CG1 C 13 22.581 0.111 . 2 . . . . . 38 VAL CG1 . 51870 1 404 . 1 . 1 40 40 VAL CG2 C 13 18.216 0.127 . 2 . . . . . 38 VAL CG2 . 51870 1 405 . 1 . 1 40 40 VAL N N 15 124.107 0.044 . 1 . . . . . 38 VAL N . 51870 1 406 . 1 . 1 41 41 HIS H H 1 8.624 0.008 . 1 . . . . . 39 HIS H . 51870 1 407 . 1 . 1 41 41 HIS HA H 1 4.740 0.016 . 1 . . . . . 39 HIS HA . 51870 1 408 . 1 . 1 41 41 HIS HB2 H 1 3.208 0.015 . 2 . . . . . 39 HIS HB2 . 51870 1 409 . 1 . 1 41 41 HIS HB3 H 1 3.008 0.015 . 2 . . . . . 39 HIS HB3 . 51870 1 410 . 1 . 1 41 41 HIS HD2 H 1 7.320 0.012 . 1 . . . . . 39 HIS HD2 . 51870 1 411 . 1 . 1 41 41 HIS HE1 H 1 6.777 0.022 . 1 . . . . . 39 HIS HE1 . 51870 1 412 . 1 . 1 41 41 HIS C C 13 176.671 0.000 . 1 . . . . . 39 HIS C . 51870 1 413 . 1 . 1 41 41 HIS CA C 13 56.112 0.056 . 1 . . . . . 39 HIS CA . 51870 1 414 . 1 . 1 41 41 HIS CB C 13 34.221 0.095 . 1 . . . . . 39 HIS CB . 51870 1 415 . 1 . 1 41 41 HIS N N 15 126.705 0.056 . 1 . . . . . 39 HIS N . 51870 1 416 . 1 . 1 42 42 GLN H H 1 8.183 0.006 . 1 . . . . . 40 GLN H . 51870 1 417 . 1 . 1 42 42 GLN HA H 1 3.878 0.011 . 1 . . . . . 40 GLN HA . 51870 1 418 . 1 . 1 42 42 GLN HB2 H 1 2.220 0.015 . 2 . . . . . 40 GLN HB2 . 51870 1 419 . 1 . 1 42 42 GLN HB3 H 1 1.933 0.018 . 2 . . . . . 40 GLN HB3 . 51870 1 420 . 1 . 1 42 42 GLN HG2 H 1 2.312 0.016 . 1 . . . . . 40 GLN HG2 . 51870 1 421 . 1 . 1 42 42 GLN HG3 H 1 2.315 0.016 . 1 . . . . . 40 GLN HG3 . 51870 1 422 . 1 . 1 42 42 GLN HE21 H 1 7.519 0.004 . 1 . . . . . 40 GLN HE21 . 51870 1 423 . 1 . 1 42 42 GLN HE22 H 1 6.864 0.008 . 1 . . . . . 40 GLN HE22 . 51870 1 424 . 1 . 1 42 42 GLN C C 13 176.338 0.000 . 1 . . . . . 40 GLN C . 51870 1 425 . 1 . 1 42 42 GLN CA C 13 58.808 0.059 . 1 . . . . . 40 GLN CA . 51870 1 426 . 1 . 1 42 42 GLN CB C 13 27.807 0.261 . 1 . . . . . 40 GLN CB . 51870 1 427 . 1 . 1 42 42 GLN CG C 13 32.514 0.064 . 1 . . . . . 40 GLN CG . 51870 1 428 . 1 . 1 42 42 GLN N N 15 124.162 0.045 . 1 . . . . . 40 GLN N . 51870 1 429 . 1 . 1 42 42 GLN NE2 N 15 110.867 0.073 . 1 . . . . . 40 GLN NE2 . 51870 1 430 . 1 . 1 43 43 SER H H 1 9.368 0.007 . 1 . . . . . 41 SER H . 51870 1 431 . 1 . 1 43 43 SER HA H 1 4.288 0.009 . 1 . . . . . 41 SER HA . 51870 1 432 . 1 . 1 43 43 SER HB2 H 1 4.242 0.013 . 1 . . . . . 41 SER HB2 . 51870 1 433 . 1 . 1 43 43 SER HB3 H 1 4.242 0.012 . 1 . . . . . 41 SER HB3 . 51870 1 434 . 1 . 1 43 43 SER C C 13 175.713 0.000 . 1 . . . . . 41 SER C . 51870 1 435 . 1 . 1 43 43 SER CA C 13 60.752 0.101 . 1 . . . . . 41 SER CA . 51870 1 436 . 1 . 1 43 43 SER CB C 13 63.300 0.000 . 1 . . . . . 41 SER CB . 51870 1 437 . 1 . 1 43 43 SER N N 15 115.461 0.046 . 1 . . . . . 41 SER N . 51870 1 438 . 1 . 1 44 44 SER H H 1 8.320 0.009 . 1 . . . . . 42 SER H . 51870 1 439 . 1 . 1 44 44 SER HA H 1 4.804 0.018 . 1 . . . . . 42 SER HA . 51870 1 440 . 1 . 1 44 44 SER HB2 H 1 4.387 0.015 . 2 . . . . . 42 SER HB2 . 51870 1 441 . 1 . 1 44 44 SER HB3 H 1 4.152 0.011 . 2 . . . . . 42 SER HB3 . 51870 1 442 . 1 . 1 44 44 SER C C 13 173.053 0.000 . 1 . . . . . 42 SER C . 51870 1 443 . 1 . 1 44 44 SER CA C 13 58.590 0.147 . 1 . . . . . 42 SER CA . 51870 1 444 . 1 . 1 44 44 SER CB C 13 64.091 0.132 . 1 . . . . . 42 SER CB . 51870 1 445 . 1 . 1 44 44 SER N N 15 118.182 0.047 . 1 . . . . . 42 SER N . 51870 1 446 . 1 . 1 45 45 ILE H H 1 7.244 0.013 . 1 . . . . . 43 ILE H . 51870 1 447 . 1 . 1 45 45 ILE HA H 1 3.870 0.015 . 1 . . . . . 43 ILE HA . 51870 1 448 . 1 . 1 45 45 ILE HB H 1 1.637 0.015 . 1 . . . . . 43 ILE HB . 51870 1 449 . 1 . 1 45 45 ILE HG12 H 1 0.389 0.020 . 2 . . . . . 43 ILE HG12 . 51870 1 450 . 1 . 1 45 45 ILE HG13 H 1 1.536 0.017 . 2 . . . . . 43 ILE HG13 . 51870 1 451 . 1 . 1 45 45 ILE HG21 H 1 0.731 0.014 . 1 . . . . . 43 ILE HG21 . 51870 1 452 . 1 . 1 45 45 ILE HG22 H 1 0.731 0.014 . 1 . . . . . 43 ILE HG22 . 51870 1 453 . 1 . 1 45 45 ILE HG23 H 1 0.731 0.014 . 1 . . . . . 43 ILE HG23 . 51870 1 454 . 1 . 1 45 45 ILE HD11 H 1 0.354 0.012 . 1 . . . . . 43 ILE HD11 . 51870 1 455 . 1 . 1 45 45 ILE HD12 H 1 0.354 0.012 . 1 . . . . . 43 ILE HD12 . 51870 1 456 . 1 . 1 45 45 ILE HD13 H 1 0.354 0.012 . 1 . . . . . 43 ILE HD13 . 51870 1 457 . 1 . 1 45 45 ILE C C 13 175.636 0.000 . 1 . . . . . 43 ILE C . 51870 1 458 . 1 . 1 45 45 ILE CA C 13 62.208 0.019 . 1 . . . . . 43 ILE CA . 51870 1 459 . 1 . 1 45 45 ILE CB C 13 38.939 0.035 . 1 . . . . . 43 ILE CB . 51870 1 460 . 1 . 1 45 45 ILE CG1 C 13 28.037 0.071 . 1 . . . . . 43 ILE CG1 . 51870 1 461 . 1 . 1 45 45 ILE CG2 C 13 17.826 0.117 . 1 . . . . . 43 ILE CG2 . 51870 1 462 . 1 . 1 45 45 ILE CD1 C 13 14.226 0.132 . 1 . . . . . 43 ILE CD1 . 51870 1 463 . 1 . 1 45 45 ILE N N 15 121.296 0.064 . 1 . . . . . 43 ILE N . 51870 1 464 . 1 . 1 46 46 ARG H H 1 9.293 0.010 . 1 . . . . . 44 ARG H . 51870 1 465 . 1 . 1 46 46 ARG HA H 1 4.277 0.013 . 1 . . . . . 44 ARG HA . 51870 1 466 . 1 . 1 46 46 ARG HB2 H 1 1.707 0.015 . 2 . . . . . 44 ARG HB2 . 51870 1 467 . 1 . 1 46 46 ARG HB3 H 1 1.846 0.019 . 2 . . . . . 44 ARG HB3 . 51870 1 468 . 1 . 1 46 46 ARG HG2 H 1 1.528 0.027 . 2 . . . . . 44 ARG HG2 . 51870 1 469 . 1 . 1 46 46 ARG HG3 H 1 1.432 0.016 . 2 . . . . . 44 ARG HG3 . 51870 1 470 . 1 . 1 46 46 ARG HD2 H 1 3.208 0.015 . 2 . . . . . 44 ARG HD2 . 51870 1 471 . 1 . 1 46 46 ARG HD3 H 1 2.890 0.016 . 2 . . . . . 44 ARG HD3 . 51870 1 472 . 1 . 1 46 46 ARG C C 13 175.232 0.000 . 1 . . . . . 44 ARG C . 51870 1 473 . 1 . 1 46 46 ARG CA C 13 57.116 0.074 . 1 . . . . . 44 ARG CA . 51870 1 474 . 1 . 1 46 46 ARG CB C 13 30.511 0.064 . 1 . . . . . 44 ARG CB . 51870 1 475 . 1 . 1 46 46 ARG CG C 13 26.138 0.288 . 1 . . . . . 44 ARG CG . 51870 1 476 . 1 . 1 46 46 ARG CD C 13 44.578 0.014 . 1 . . . . . 44 ARG CD . 51870 1 477 . 1 . 1 46 46 ARG N N 15 130.400 0.066 . 1 . . . . . 44 ARG N . 51870 1 478 . 1 . 1 47 47 SER H H 1 7.981 0.010 . 1 . . . . . 45 SER H . 51870 1 479 . 1 . 1 47 47 SER HA H 1 4.514 0.016 . 1 . . . . . 45 SER HA . 51870 1 480 . 1 . 1 47 47 SER HB2 H 1 3.796 0.010 . 2 . . . . . 45 SER HB2 . 51870 1 481 . 1 . 1 47 47 SER HB3 H 1 3.593 0.016 . 2 . . . . . 45 SER HB3 . 51870 1 482 . 1 . 1 47 47 SER C C 13 174.089 0.000 . 1 . . . . . 45 SER C . 51870 1 483 . 1 . 1 47 47 SER CA C 13 57.944 0.202 . 1 . . . . . 45 SER CA . 51870 1 484 . 1 . 1 47 47 SER CB C 13 64.869 0.113 . 1 . . . . . 45 SER CB . 51870 1 485 . 1 . 1 47 47 SER N N 15 117.553 0.045 . 1 . . . . . 45 SER N . 51870 1 486 . 1 . 1 48 48 GLU H H 1 8.691 0.010 . 1 . . . . . 46 GLU H . 51870 1 487 . 1 . 1 48 48 GLU HA H 1 4.368 0.015 . 1 . . . . . 46 GLU HA . 51870 1 488 . 1 . 1 48 48 GLU HB2 H 1 1.927 0.020 . 2 . . . . . 46 GLU HB2 . 51870 1 489 . 1 . 1 48 48 GLU HB3 H 1 2.116 0.010 . 2 . . . . . 46 GLU HB3 . 51870 1 490 . 1 . 1 48 48 GLU HG2 H 1 2.267 0.009 . 1 . . . . . 46 GLU HG2 . 51870 1 491 . 1 . 1 48 48 GLU HG3 H 1 2.268 0.009 . 1 . . . . . 46 GLU HG3 . 51870 1 492 . 1 . 1 48 48 GLU C C 13 176.597 0.000 . 1 . . . . . 46 GLU C . 51870 1 493 . 1 . 1 48 48 GLU CA C 13 56.838 0.035 . 1 . . . . . 46 GLU CA . 51870 1 494 . 1 . 1 48 48 GLU CB C 13 29.963 0.038 . 1 . . . . . 46 GLU CB . 51870 1 495 . 1 . 1 48 48 GLU CG C 13 36.376 0.271 . 1 . . . . . 46 GLU CG . 51870 1 496 . 1 . 1 48 48 GLU N N 15 123.793 0.042 . 1 . . . . . 46 GLU N . 51870 1 497 . 1 . 1 49 49 GLY H H 1 8.382 0.009 . 1 . . . . . 47 GLY H . 51870 1 498 . 1 . 1 49 49 GLY HA2 H 1 3.923 0.019 . 2 . . . . . 47 GLY HA2 . 51870 1 499 . 1 . 1 49 49 GLY HA3 H 1 3.860 0.026 . 2 . . . . . 47 GLY HA3 . 51870 1 500 . 1 . 1 49 49 GLY C C 13 173.472 0.000 . 1 . . . . . 47 GLY C . 51870 1 501 . 1 . 1 49 49 GLY CA C 13 45.202 0.019 . 1 . . . . . 47 GLY CA . 51870 1 502 . 1 . 1 49 49 GLY N N 15 110.064 0.028 . 1 . . . . . 47 GLY N . 51870 1 503 . 1 . 1 50 50 PHE H H 1 8.286 0.008 . 1 . . . . . 48 PHE H . 51870 1 504 . 1 . 1 50 50 PHE HA H 1 4.442 0.006 . 1 . . . . . 48 PHE HA . 51870 1 505 . 1 . 1 50 50 PHE HB2 H 1 2.966 0.009 . 1 . . . . . 48 PHE HB2 . 51870 1 506 . 1 . 1 50 50 PHE HB3 H 1 2.966 0.011 . 1 . . . . . 48 PHE HB3 . 51870 1 507 . 1 . 1 50 50 PHE HD1 H 1 7.185 0.010 . 1 . . . . . 48 PHE HD1 . 51870 1 508 . 1 . 1 50 50 PHE HD2 H 1 7.185 0.010 . 1 . . . . . 48 PHE HD2 . 51870 1 509 . 1 . 1 50 50 PHE HE1 H 1 7.303 0.012 . 1 . . . . . 48 PHE HE1 . 51870 1 510 . 1 . 1 50 50 PHE HE2 H 1 7.303 0.012 . 1 . . . . . 48 PHE HE2 . 51870 1 511 . 1 . 1 50 50 PHE HZ H 1 7.279 0.013 . 1 . . . . . 48 PHE HZ . 51870 1 512 . 1 . 1 50 50 PHE C C 13 175.873 0.000 . 1 . . . . . 48 PHE C . 51870 1 513 . 1 . 1 50 50 PHE CA C 13 58.611 0.162 . 1 . . . . . 48 PHE CA . 51870 1 514 . 1 . 1 50 50 PHE CB C 13 39.360 0.134 . 1 . . . . . 48 PHE CB . 51870 1 515 . 1 . 1 50 50 PHE N N 15 123.392 0.069 . 1 . . . . . 48 PHE N . 51870 1 516 . 1 . 1 51 51 ARG H H 1 8.230 0.013 . 1 . . . . . 49 ARG H . 51870 1 517 . 1 . 1 51 51 ARG HA H 1 4.189 0.012 . 1 . . . . . 49 ARG HA . 51870 1 518 . 1 . 1 51 51 ARG HB2 H 1 1.602 0.015 . 2 . . . . . 49 ARG HB2 . 51870 1 519 . 1 . 1 51 51 ARG HB3 H 1 1.767 0.027 . 2 . . . . . 49 ARG HB3 . 51870 1 520 . 1 . 1 51 51 ARG HG2 H 1 1.414 0.015 . 2 . . . . . 49 ARG HG2 . 51870 1 521 . 1 . 1 51 51 ARG HG3 H 1 1.559 0.029 . 2 . . . . . 49 ARG HG3 . 51870 1 522 . 1 . 1 51 51 ARG HD2 H 1 3.124 0.011 . 2 . . . . . 49 ARG HD2 . 51870 1 523 . 1 . 1 51 51 ARG HD3 H 1 3.240 0.026 . 2 . . . . . 49 ARG HD3 . 51870 1 524 . 1 . 1 51 51 ARG C C 13 173.704 0.000 . 1 . . . . . 49 ARG C . 51870 1 525 . 1 . 1 51 51 ARG CA C 13 55.477 0.148 . 1 . . . . . 49 ARG CA . 51870 1 526 . 1 . 1 51 51 ARG CB C 13 30.572 0.049 . 1 . . . . . 49 ARG CB . 51870 1 527 . 1 . 1 51 51 ARG CG C 13 27.136 0.254 . 1 . . . . . 49 ARG CG . 51870 1 528 . 1 . 1 51 51 ARG CD C 13 43.024 0.205 . 1 . . . . . 49 ARG CD . 51870 1 529 . 1 . 1 51 51 ARG N N 15 124.681 0.088 . 1 . . . . . 49 ARG N . 51870 1 530 . 1 . 1 52 52 SER H H 1 7.421 0.009 . 1 . . . . . 50 SER H . 51870 1 531 . 1 . 1 52 52 SER HA H 1 3.891 0.008 . 1 . . . . . 50 SER HA . 51870 1 532 . 1 . 1 52 52 SER HB2 H 1 3.582 0.021 . 2 . . . . . 50 SER HB2 . 51870 1 533 . 1 . 1 52 52 SER HB3 H 1 3.564 0.022 . 2 . . . . . 50 SER HB3 . 51870 1 534 . 1 . 1 52 52 SER C C 13 171.160 0.000 . 1 . . . . . 50 SER C . 51870 1 535 . 1 . 1 52 52 SER CA C 13 56.733 0.078 . 1 . . . . . 50 SER CA . 51870 1 536 . 1 . 1 52 52 SER CB C 13 64.682 0.054 . 1 . . . . . 50 SER CB . 51870 1 537 . 1 . 1 52 52 SER N N 15 113.468 0.112 . 1 . . . . . 50 SER N . 51870 1 538 . 1 . 1 53 53 LEU H H 1 5.413 0.009 . 1 . . . . . 51 LEU H . 51870 1 539 . 1 . 1 53 53 LEU HA H 1 4.395 0.009 . 1 . . . . . 51 LEU HA . 51870 1 540 . 1 . 1 53 53 LEU HB2 H 1 1.090 0.013 . 2 . . . . . 51 LEU HB2 . 51870 1 541 . 1 . 1 53 53 LEU HB3 H 1 0.446 0.013 . 2 . . . . . 51 LEU HB3 . 51870 1 542 . 1 . 1 53 53 LEU HG H 1 0.719 0.019 . 1 . . . . . 51 LEU HG . 51870 1 543 . 1 . 1 53 53 LEU HD11 H 1 0.535 0.016 . 2 . . . . . 51 LEU HD11 . 51870 1 544 . 1 . 1 53 53 LEU HD12 H 1 0.535 0.016 . 2 . . . . . 51 LEU HD12 . 51870 1 545 . 1 . 1 53 53 LEU HD13 H 1 0.535 0.016 . 2 . . . . . 51 LEU HD13 . 51870 1 546 . 1 . 1 53 53 LEU HD21 H 1 0.312 0.009 . 2 . . . . . 51 LEU HD21 . 51870 1 547 . 1 . 1 53 53 LEU HD22 H 1 0.312 0.009 . 2 . . . . . 51 LEU HD22 . 51870 1 548 . 1 . 1 53 53 LEU HD23 H 1 0.312 0.009 . 2 . . . . . 51 LEU HD23 . 51870 1 549 . 1 . 1 53 53 LEU C C 13 174.157 0.000 . 1 . . . . . 51 LEU C . 51870 1 550 . 1 . 1 53 53 LEU CA C 13 52.606 0.034 . 1 . . . . . 51 LEU CA . 51870 1 551 . 1 . 1 53 53 LEU CB C 13 45.480 0.128 . 1 . . . . . 51 LEU CB . 51870 1 552 . 1 . 1 53 53 LEU CG C 13 25.901 0.258 . 1 . . . . . 51 LEU CG . 51870 1 553 . 1 . 1 53 53 LEU CD1 C 13 23.266 0.083 . 2 . . . . . 51 LEU CD1 . 51870 1 554 . 1 . 1 53 53 LEU CD2 C 13 25.687 0.089 . 2 . . . . . 51 LEU CD2 . 51870 1 555 . 1 . 1 53 53 LEU N N 15 116.696 0.072 . 1 . . . . . 51 LEU N . 51870 1 556 . 1 . 1 54 54 ALA H H 1 9.220 0.010 . 1 . . . . . 52 ALA H . 51870 1 557 . 1 . 1 54 54 ALA HA H 1 4.560 0.005 . 1 . . . . . 52 ALA HA . 51870 1 558 . 1 . 1 54 54 ALA HB1 H 1 1.284 0.011 . 1 . . . . . 52 ALA HB1 . 51870 1 559 . 1 . 1 54 54 ALA HB2 H 1 1.284 0.011 . 1 . . . . . 52 ALA HB2 . 51870 1 560 . 1 . 1 54 54 ALA HB3 H 1 1.284 0.011 . 1 . . . . . 52 ALA HB3 . 51870 1 561 . 1 . 1 54 54 ALA C C 13 176.641 0.000 . 1 . . . . . 52 ALA C . 51870 1 562 . 1 . 1 54 54 ALA CA C 13 49.996 0.034 . 1 . . . . . 52 ALA CA . 51870 1 563 . 1 . 1 54 54 ALA CB C 13 21.008 0.101 . 1 . . . . . 52 ALA CB . 51870 1 564 . 1 . 1 54 54 ALA N N 15 124.174 0.043 . 1 . . . . . 52 ALA N . 51870 1 565 . 1 . 1 55 55 ALA H H 1 8.503 0.008 . 1 . . . . . 53 ALA H . 51870 1 566 . 1 . 1 55 55 ALA HA H 1 3.641 0.011 . 1 . . . . . 53 ALA HA . 51870 1 567 . 1 . 1 55 55 ALA HB1 H 1 1.535 0.013 . 1 . . . . . 53 ALA HB1 . 51870 1 568 . 1 . 1 55 55 ALA HB2 H 1 1.535 0.013 . 1 . . . . . 53 ALA HB2 . 51870 1 569 . 1 . 1 55 55 ALA HB3 H 1 1.535 0.013 . 1 . . . . . 53 ALA HB3 . 51870 1 570 . 1 . 1 55 55 ALA C C 13 178.149 0.000 . 1 . . . . . 53 ALA C . 51870 1 571 . 1 . 1 55 55 ALA CA C 13 54.146 0.040 . 1 . . . . . 53 ALA CA . 51870 1 572 . 1 . 1 55 55 ALA CB C 13 18.387 0.020 . 1 . . . . . 53 ALA CB . 51870 1 573 . 1 . 1 55 55 ALA N N 15 122.259 0.043 . 1 . . . . . 53 ALA N . 51870 1 574 . 1 . 1 56 56 GLU H H 1 9.033 0.009 . 1 . . . . . 54 GLU H . 51870 1 575 . 1 . 1 56 56 GLU HA H 1 3.854 0.011 . 1 . . . . . 54 GLU HA . 51870 1 576 . 1 . 1 56 56 GLU HB2 H 1 2.306 0.017 . 2 . . . . . 54 GLU HB2 . 51870 1 577 . 1 . 1 56 56 GLU HB3 H 1 2.478 0.011 . 2 . . . . . 54 GLU HB3 . 51870 1 578 . 1 . 1 56 56 GLU HG2 H 1 2.236 0.024 . 2 . . . . . 54 GLU HG2 . 51870 1 579 . 1 . 1 56 56 GLU HG3 H 1 2.253 0.031 . 2 . . . . . 54 GLU HG3 . 51870 1 580 . 1 . 1 56 56 GLU C C 13 175.702 0.000 . 1 . . . . . 54 GLU C . 51870 1 581 . 1 . 1 56 56 GLU CA C 13 58.669 0.089 . 1 . . . . . 54 GLU CA . 51870 1 582 . 1 . 1 56 56 GLU CB C 13 27.702 0.026 . 1 . . . . . 54 GLU CB . 51870 1 583 . 1 . 1 56 56 GLU CG C 13 37.035 0.210 . 1 . . . . . 54 GLU CG . 51870 1 584 . 1 . 1 56 56 GLU N N 15 114.147 0.038 . 1 . . . . . 54 GLU N . 51870 1 585 . 1 . 1 57 57 GLU H H 1 7.878 0.007 . 1 . . . . . 55 GLU H . 51870 1 586 . 1 . 1 57 57 GLU HA H 1 4.288 0.018 . 1 . . . . . 55 GLU HA . 51870 1 587 . 1 . 1 57 57 GLU HB2 H 1 2.258 0.015 . 2 . . . . . 55 GLU HB2 . 51870 1 588 . 1 . 1 57 57 GLU HB3 H 1 1.956 0.013 . 2 . . . . . 55 GLU HB3 . 51870 1 589 . 1 . 1 57 57 GLU HG2 H 1 2.130 0.013 . 2 . . . . . 55 GLU HG2 . 51870 1 590 . 1 . 1 57 57 GLU HG3 H 1 2.465 0.016 . 2 . . . . . 55 GLU HG3 . 51870 1 591 . 1 . 1 57 57 GLU C C 13 175.260 0.000 . 1 . . . . . 55 GLU C . 51870 1 592 . 1 . 1 57 57 GLU CA C 13 57.071 0.231 . 1 . . . . . 55 GLU CA . 51870 1 593 . 1 . 1 57 57 GLU CB C 13 31.018 0.004 . 1 . . . . . 55 GLU CB . 51870 1 594 . 1 . 1 57 57 GLU CG C 13 36.266 0.000 . 1 . . . . . 55 GLU CG . 51870 1 595 . 1 . 1 57 57 GLU N N 15 121.528 0.018 . 1 . . . . . 55 GLU N . 51870 1 596 . 1 . 1 58 58 ALA H H 1 8.456 0.012 . 1 . . . . . 56 ALA H . 51870 1 597 . 1 . 1 58 58 ALA HA H 1 4.758 0.024 . 1 . . . . . 56 ALA HA . 51870 1 598 . 1 . 1 58 58 ALA HB1 H 1 1.520 0.014 . 1 . . . . . 56 ALA HB1 . 51870 1 599 . 1 . 1 58 58 ALA HB2 H 1 1.520 0.014 . 1 . . . . . 56 ALA HB2 . 51870 1 600 . 1 . 1 58 58 ALA HB3 H 1 1.520 0.014 . 1 . . . . . 56 ALA HB3 . 51870 1 601 . 1 . 1 58 58 ALA C C 13 177.270 0.000 . 1 . . . . . 56 ALA C . 51870 1 602 . 1 . 1 58 58 ALA CA C 13 52.530 0.003 . 1 . . . . . 56 ALA CA . 51870 1 603 . 1 . 1 58 58 ALA CB C 13 19.270 0.057 . 1 . . . . . 56 ALA CB . 51870 1 604 . 1 . 1 58 58 ALA N N 15 127.614 0.021 . 1 . . . . . 56 ALA N . 51870 1 605 . 1 . 1 59 59 VAL H H 1 8.387 0.015 . 1 . . . . . 57 VAL H . 51870 1 606 . 1 . 1 59 59 VAL HA H 1 5.431 0.013 . 1 . . . . . 57 VAL HA . 51870 1 607 . 1 . 1 59 59 VAL HB H 1 2.383 0.013 . 1 . . . . . 57 VAL HB . 51870 1 608 . 1 . 1 59 59 VAL HG11 H 1 0.522 0.011 . 2 . . . . . 57 VAL HG11 . 51870 1 609 . 1 . 1 59 59 VAL HG12 H 1 0.522 0.011 . 2 . . . . . 57 VAL HG12 . 51870 1 610 . 1 . 1 59 59 VAL HG13 H 1 0.522 0.011 . 2 . . . . . 57 VAL HG13 . 51870 1 611 . 1 . 1 59 59 VAL HG21 H 1 0.641 0.011 . 2 . . . . . 57 VAL HG21 . 51870 1 612 . 1 . 1 59 59 VAL HG22 H 1 0.641 0.011 . 2 . . . . . 57 VAL HG22 . 51870 1 613 . 1 . 1 59 59 VAL HG23 H 1 0.641 0.011 . 2 . . . . . 57 VAL HG23 . 51870 1 614 . 1 . 1 59 59 VAL C C 13 175.583 0.000 . 1 . . . . . 57 VAL C . 51870 1 615 . 1 . 1 59 59 VAL CA C 13 58.268 0.064 . 1 . . . . . 57 VAL CA . 51870 1 616 . 1 . 1 59 59 VAL CB C 13 37.638 0.068 . 1 . . . . . 57 VAL CB . 51870 1 617 . 1 . 1 59 59 VAL CG1 C 13 18.298 0.119 . 2 . . . . . 57 VAL CG1 . 51870 1 618 . 1 . 1 59 59 VAL CG2 C 13 23.057 0.099 . 2 . . . . . 57 VAL CG2 . 51870 1 619 . 1 . 1 59 59 VAL N N 15 112.296 0.051 . 1 . . . . . 57 VAL N . 51870 1 620 . 1 . 1 60 60 GLU H H 1 8.729 0.009 . 1 . . . . . 58 GLU H . 51870 1 621 . 1 . 1 60 60 GLU HA H 1 5.450 0.010 . 1 . . . . . 58 GLU HA . 51870 1 622 . 1 . 1 60 60 GLU HB2 H 1 1.726 0.014 . 2 . . . . . 58 GLU HB2 . 51870 1 623 . 1 . 1 60 60 GLU HB3 H 1 1.835 0.008 . 2 . . . . . 58 GLU HB3 . 51870 1 624 . 1 . 1 60 60 GLU HG2 H 1 2.154 0.010 . 2 . . . . . 58 GLU HG2 . 51870 1 625 . 1 . 1 60 60 GLU HG3 H 1 2.070 0.015 . 2 . . . . . 58 GLU HG3 . 51870 1 626 . 1 . 1 60 60 GLU C C 13 175.585 0.000 . 1 . . . . . 58 GLU C . 51870 1 627 . 1 . 1 60 60 GLU CA C 13 54.005 0.083 . 1 . . . . . 58 GLU CA . 51870 1 628 . 1 . 1 60 60 GLU CB C 13 34.226 0.018 . 1 . . . . . 58 GLU CB . 51870 1 629 . 1 . 1 60 60 GLU CG C 13 37.090 0.020 . 1 . . . . . 58 GLU CG . 51870 1 630 . 1 . 1 60 60 GLU N N 15 120.263 0.035 . 1 . . . . . 58 GLU N . 51870 1 631 . 1 . 1 61 61 PHE H H 1 8.002 0.018 . 1 . . . . . 59 PHE H . 51870 1 632 . 1 . 1 61 61 PHE HA H 1 5.017 0.012 . 1 . . . . . 59 PHE HA . 51870 1 633 . 1 . 1 61 61 PHE HB2 H 1 3.281 0.014 . 2 . . . . . 59 PHE HB2 . 51870 1 634 . 1 . 1 61 61 PHE HB3 H 1 3.144 0.015 . 2 . . . . . 59 PHE HB3 . 51870 1 635 . 1 . 1 61 61 PHE HD1 H 1 6.641 0.014 . 1 . . . . . 59 PHE HD1 . 51870 1 636 . 1 . 1 61 61 PHE HD2 H 1 6.641 0.014 . 1 . . . . . 59 PHE HD2 . 51870 1 637 . 1 . 1 61 61 PHE HE1 H 1 6.733 0.011 . 1 . . . . . 59 PHE HE1 . 51870 1 638 . 1 . 1 61 61 PHE HE2 H 1 6.733 0.011 . 1 . . . . . 59 PHE HE2 . 51870 1 639 . 1 . 1 61 61 PHE C C 13 172.919 0.000 . 1 . . . . . 59 PHE C . 51870 1 640 . 1 . 1 61 61 PHE CA C 13 56.846 0.029 . 1 . . . . . 59 PHE CA . 51870 1 641 . 1 . 1 61 61 PHE CB C 13 40.484 0.083 . 1 . . . . . 59 PHE CB . 51870 1 642 . 1 . 1 61 61 PHE N N 15 114.664 0.065 . 1 . . . . . 59 PHE N . 51870 1 643 . 1 . 1 62 62 GLU H H 1 8.624 0.012 . 1 . . . . . 60 GLU H . 51870 1 644 . 1 . 1 62 62 GLU HA H 1 4.852 0.011 . 1 . . . . . 60 GLU HA . 51870 1 645 . 1 . 1 62 62 GLU HB2 H 1 1.768 0.015 . 2 . . . . . 60 GLU HB2 . 51870 1 646 . 1 . 1 62 62 GLU HB3 H 1 2.145 0.014 . 2 . . . . . 60 GLU HB3 . 51870 1 647 . 1 . 1 62 62 GLU HG2 H 1 2.323 0.021 . 2 . . . . . 60 GLU HG2 . 51870 1 648 . 1 . 1 62 62 GLU HG3 H 1 2.286 0.027 . 2 . . . . . 60 GLU HG3 . 51870 1 649 . 1 . 1 62 62 GLU C C 13 175.295 0.000 . 1 . . . . . 60 GLU C . 51870 1 650 . 1 . 1 62 62 GLU CA C 13 54.399 0.122 . 1 . . . . . 60 GLU CA . 51870 1 651 . 1 . 1 62 62 GLU CB C 13 32.660 0.188 . 1 . . . . . 60 GLU CB . 51870 1 652 . 1 . 1 62 62 GLU CG C 13 36.757 0.039 . 1 . . . . . 60 GLU CG . 51870 1 653 . 1 . 1 62 62 GLU N N 15 117.965 0.058 . 1 . . . . . 60 GLU N . 51870 1 654 . 1 . 1 63 63 VAL H H 1 8.753 0.017 . 1 . . . . . 61 VAL H . 51870 1 655 . 1 . 1 63 63 VAL HA H 1 5.085 0.014 . 1 . . . . . 61 VAL HA . 51870 1 656 . 1 . 1 63 63 VAL HB H 1 1.974 0.011 . 1 . . . . . 61 VAL HB . 51870 1 657 . 1 . 1 63 63 VAL HG11 H 1 1.124 0.008 . 2 . . . . . 61 VAL HG11 . 51870 1 658 . 1 . 1 63 63 VAL HG12 H 1 1.124 0.008 . 2 . . . . . 61 VAL HG12 . 51870 1 659 . 1 . 1 63 63 VAL HG13 H 1 1.124 0.008 . 2 . . . . . 61 VAL HG13 . 51870 1 660 . 1 . 1 63 63 VAL HG21 H 1 0.952 0.013 . 2 . . . . . 61 VAL HG21 . 51870 1 661 . 1 . 1 63 63 VAL HG22 H 1 0.952 0.013 . 2 . . . . . 61 VAL HG22 . 51870 1 662 . 1 . 1 63 63 VAL HG23 H 1 0.952 0.013 . 2 . . . . . 61 VAL HG23 . 51870 1 663 . 1 . 1 63 63 VAL C C 13 175.884 0.000 . 1 . . . . . 61 VAL C . 51870 1 664 . 1 . 1 63 63 VAL CA C 13 61.954 0.047 . 1 . . . . . 61 VAL CA . 51870 1 665 . 1 . 1 63 63 VAL CB C 13 34.371 0.066 . 1 . . . . . 61 VAL CB . 51870 1 666 . 1 . 1 63 63 VAL CG1 C 13 22.641 0.072 . 2 . . . . . 61 VAL CG1 . 51870 1 667 . 1 . 1 63 63 VAL CG2 C 13 21.583 0.119 . 2 . . . . . 61 VAL CG2 . 51870 1 668 . 1 . 1 63 63 VAL N N 15 120.982 0.033 . 1 . . . . . 61 VAL N . 51870 1 669 . 1 . 1 64 64 GLU H H 1 9.050 0.012 . 1 . . . . . 62 GLU H . 51870 1 670 . 1 . 1 64 64 GLU HA H 1 4.707 0.015 . 1 . . . . . 62 GLU HA . 51870 1 671 . 1 . 1 64 64 GLU HB2 H 1 1.890 0.012 . 2 . . . . . 62 GLU HB2 . 51870 1 672 . 1 . 1 64 64 GLU HB3 H 1 1.927 0.014 . 2 . . . . . 62 GLU HB3 . 51870 1 673 . 1 . 1 64 64 GLU HG2 H 1 2.173 0.020 . 2 . . . . . 62 GLU HG2 . 51870 1 674 . 1 . 1 64 64 GLU HG3 H 1 2.015 0.002 . 2 . . . . . 62 GLU HG3 . 51870 1 675 . 1 . 1 64 64 GLU C C 13 174.071 0.000 . 1 . . . . . 62 GLU C . 51870 1 676 . 1 . 1 64 64 GLU CA C 13 54.347 0.006 . 1 . . . . . 62 GLU CA . 51870 1 677 . 1 . 1 64 64 GLU CB C 13 34.100 0.031 . 1 . . . . . 62 GLU CB . 51870 1 678 . 1 . 1 64 64 GLU CG C 13 36.738 0.014 . 1 . . . . . 62 GLU CG . 51870 1 679 . 1 . 1 64 64 GLU N N 15 128.785 0.021 . 1 . . . . . 62 GLU N . 51870 1 680 . 1 . 1 65 65 ILE H H 1 8.629 0.009 . 1 . . . . . 63 ILE H . 51870 1 681 . 1 . 1 65 65 ILE HA H 1 4.450 0.006 . 1 . . . . . 63 ILE HA . 51870 1 682 . 1 . 1 65 65 ILE HB H 1 1.853 0.015 . 1 . . . . . 63 ILE HB . 51870 1 683 . 1 . 1 65 65 ILE HG12 H 1 1.175 0.012 . 2 . . . . . 63 ILE HG12 . 51870 1 684 . 1 . 1 65 65 ILE HG13 H 1 1.473 0.014 . 2 . . . . . 63 ILE HG13 . 51870 1 685 . 1 . 1 65 65 ILE HG21 H 1 0.909 0.015 . 1 . . . . . 63 ILE HG21 . 51870 1 686 . 1 . 1 65 65 ILE HG22 H 1 0.909 0.015 . 1 . . . . . 63 ILE HG22 . 51870 1 687 . 1 . 1 65 65 ILE HG23 H 1 0.909 0.015 . 1 . . . . . 63 ILE HG23 . 51870 1 688 . 1 . 1 65 65 ILE HD11 H 1 0.756 0.010 . 1 . . . . . 63 ILE HD11 . 51870 1 689 . 1 . 1 65 65 ILE HD12 H 1 0.756 0.010 . 1 . . . . . 63 ILE HD12 . 51870 1 690 . 1 . 1 65 65 ILE HD13 H 1 0.756 0.010 . 1 . . . . . 63 ILE HD13 . 51870 1 691 . 1 . 1 65 65 ILE C C 13 176.201 0.000 . 1 . . . . . 63 ILE C . 51870 1 692 . 1 . 1 65 65 ILE CA C 13 59.801 0.082 . 1 . . . . . 63 ILE CA . 51870 1 693 . 1 . 1 65 65 ILE CB C 13 37.594 0.188 . 1 . . . . . 63 ILE CB . 51870 1 694 . 1 . 1 65 65 ILE CG1 C 13 27.029 0.274 . 1 . . . . . 63 ILE CG1 . 51870 1 695 . 1 . 1 65 65 ILE CG2 C 13 17.693 0.111 . 1 . . . . . 63 ILE CG2 . 51870 1 696 . 1 . 1 65 65 ILE CD1 C 13 11.476 0.075 . 1 . . . . . 63 ILE CD1 . 51870 1 697 . 1 . 1 65 65 ILE N N 15 124.863 0.039 . 1 . . . . . 63 ILE N . 51870 1 698 . 1 . 1 66 66 ASP H H 1 8.506 0.012 . 1 . . . . . 64 ASP H . 51870 1 699 . 1 . 1 66 66 ASP HA H 1 4.706 0.019 . 1 . . . . . 64 ASP HA . 51870 1 700 . 1 . 1 66 66 ASP HB2 H 1 2.650 0.006 . 2 . . . . . 64 ASP HB2 . 51870 1 701 . 1 . 1 66 66 ASP HB3 H 1 3.229 0.017 . 2 . . . . . 64 ASP HB3 . 51870 1 702 . 1 . 1 66 66 ASP C C 13 177.294 0.000 . 1 . . . . . 64 ASP C . 51870 1 703 . 1 . 1 66 66 ASP CA C 13 52.860 0.191 . 1 . . . . . 64 ASP CA . 51870 1 704 . 1 . 1 66 66 ASP CB C 13 41.905 0.024 . 1 . . . . . 64 ASP CB . 51870 1 705 . 1 . 1 66 66 ASP N N 15 127.807 0.016 . 1 . . . . . 64 ASP N . 51870 1 706 . 1 . 1 67 67 ASN H H 1 8.409 0.011 . 1 . . . . . 65 ASN H . 51870 1 707 . 1 . 1 67 67 ASN HA H 1 4.479 0.011 . 1 . . . . . 65 ASN HA . 51870 1 708 . 1 . 1 67 67 ASN HB2 H 1 2.825 0.009 . 2 . . . . . 65 ASN HB2 . 51870 1 709 . 1 . 1 67 67 ASN HB3 H 1 2.816 0.015 . 2 . . . . . 65 ASN HB3 . 51870 1 710 . 1 . 1 67 67 ASN HD21 H 1 7.587 0.018 . 1 . . . . . 65 ASN HD21 . 51870 1 711 . 1 . 1 67 67 ASN HD22 H 1 6.862 0.007 . 1 . . . . . 65 ASN HD22 . 51870 1 712 . 1 . 1 67 67 ASN C C 13 175.509 0.000 . 1 . . . . . 65 ASN C . 51870 1 713 . 1 . 1 67 67 ASN CA C 13 55.160 0.023 . 1 . . . . . 65 ASN CA . 51870 1 714 . 1 . 1 67 67 ASN CB C 13 37.799 0.063 . 1 . . . . . 65 ASN CB . 51870 1 715 . 1 . 1 67 67 ASN N N 15 115.412 0.090 . 1 . . . . . 65 ASN N . 51870 1 716 . 1 . 1 67 67 ASN ND2 N 15 112.737 0.214 . 1 . . . . . 65 ASN ND2 . 51870 1 717 . 1 . 1 68 68 ASN H H 1 8.564 0.010 . 1 . . . . . 66 ASN H . 51870 1 718 . 1 . 1 68 68 ASN HA H 1 4.843 0.008 . 1 . . . . . 66 ASN HA . 51870 1 719 . 1 . 1 68 68 ASN HB2 H 1 2.683 0.008 . 2 . . . . . 66 ASN HB2 . 51870 1 720 . 1 . 1 68 68 ASN HB3 H 1 2.935 0.004 . 2 . . . . . 66 ASN HB3 . 51870 1 721 . 1 . 1 68 68 ASN HD21 H 1 7.587 0.014 . 1 . . . . . 66 ASN HD21 . 51870 1 722 . 1 . 1 68 68 ASN HD22 H 1 6.817 0.002 . 1 . . . . . 66 ASN HD22 . 51870 1 723 . 1 . 1 68 68 ASN C C 13 174.462 0.000 . 1 . . . . . 66 ASN C . 51870 1 724 . 1 . 1 68 68 ASN CA C 13 52.675 0.170 . 1 . . . . . 66 ASN CA . 51870 1 725 . 1 . 1 68 68 ASN CB C 13 39.096 0.182 . 1 . . . . . 66 ASN CB . 51870 1 726 . 1 . 1 68 68 ASN N N 15 118.313 0.043 . 1 . . . . . 66 ASN N . 51870 1 727 . 1 . 1 68 68 ASN ND2 N 15 113.761 0.013 . 1 . . . . . 66 ASN ND2 . 51870 1 728 . 1 . 1 69 69 ASN H H 1 8.312 0.005 . 1 . . . . . 67 ASN H . 51870 1 729 . 1 . 1 69 69 ASN HA H 1 4.290 0.009 . 1 . . . . . 67 ASN HA . 51870 1 730 . 1 . 1 69 69 ASN HB2 H 1 2.823 0.015 . 2 . . . . . 67 ASN HB2 . 51870 1 731 . 1 . 1 69 69 ASN HB3 H 1 3.103 0.014 . 2 . . . . . 67 ASN HB3 . 51870 1 732 . 1 . 1 69 69 ASN HD21 H 1 7.515 0.001 . 1 . . . . . 67 ASN HD21 . 51870 1 733 . 1 . 1 69 69 ASN HD22 H 1 6.802 0.001 . 1 . . . . . 67 ASN HD22 . 51870 1 734 . 1 . 1 69 69 ASN C C 13 173.975 0.000 . 1 . . . . . 67 ASN C . 51870 1 735 . 1 . 1 69 69 ASN CA C 13 54.557 0.095 . 1 . . . . . 67 ASN CA . 51870 1 736 . 1 . 1 69 69 ASN CB C 13 37.777 0.174 . 1 . . . . . 67 ASN CB . 51870 1 737 . 1 . 1 69 69 ASN N N 15 114.600 0.015 . 1 . . . . . 67 ASN N . 51870 1 738 . 1 . 1 69 69 ASN ND2 N 15 112.549 0.023 . 1 . . . . . 67 ASN ND2 . 51870 1 739 . 1 . 1 71 71 PRO HA H 1 5.038 0.010 . 1 . . . . . 69 PRO HA . 51870 1 740 . 1 . 1 71 71 PRO HB2 H 1 1.888 0.016 . 2 . . . . . 69 PRO HB2 . 51870 1 741 . 1 . 1 71 71 PRO HB3 H 1 2.093 0.015 . 2 . . . . . 69 PRO HB3 . 51870 1 742 . 1 . 1 71 71 PRO HG2 H 1 2.211 0.011 . 2 . . . . . 69 PRO HG2 . 51870 1 743 . 1 . 1 71 71 PRO HG3 H 1 2.043 0.010 . 2 . . . . . 69 PRO HG3 . 51870 1 744 . 1 . 1 71 71 PRO HD2 H 1 3.986 0.005 . 2 . . . . . 69 PRO HD2 . 51870 1 745 . 1 . 1 71 71 PRO HD3 H 1 3.811 0.007 . 2 . . . . . 69 PRO HD3 . 51870 1 746 . 1 . 1 71 71 PRO C C 13 176.252 0.000 . 1 . . . . . 69 PRO C . 51870 1 747 . 1 . 1 71 71 PRO CA C 13 62.451 0.032 . 1 . . . . . 69 PRO CA . 51870 1 748 . 1 . 1 71 71 PRO CB C 13 32.518 0.088 . 1 . . . . . 69 PRO CB . 51870 1 749 . 1 . 1 71 71 PRO CG C 13 27.497 0.285 . 1 . . . . . 69 PRO CG . 51870 1 750 . 1 . 1 71 71 PRO CD C 13 50.864 0.071 . 1 . . . . . 69 PRO CD . 51870 1 751 . 1 . 1 72 72 LYS H H 1 9.124 0.013 . 1 . . . . . 70 LYS H . 51870 1 752 . 1 . 1 72 72 LYS HA H 1 5.044 0.012 . 1 . . . . . 70 LYS HA . 51870 1 753 . 1 . 1 72 72 LYS HB2 H 1 1.966 0.013 . 2 . . . . . 70 LYS HB2 . 51870 1 754 . 1 . 1 72 72 LYS HB3 H 1 1.931 0.015 . 2 . . . . . 70 LYS HB3 . 51870 1 755 . 1 . 1 72 72 LYS HG2 H 1 1.404 0.016 . 2 . . . . . 70 LYS HG2 . 51870 1 756 . 1 . 1 72 72 LYS HG3 H 1 1.454 0.014 . 2 . . . . . 70 LYS HG3 . 51870 1 757 . 1 . 1 72 72 LYS HD2 H 1 1.747 0.007 . 2 . . . . . 70 LYS HD2 . 51870 1 758 . 1 . 1 72 72 LYS HD3 H 1 1.712 0.015 . 2 . . . . . 70 LYS HD3 . 51870 1 759 . 1 . 1 72 72 LYS HE2 H 1 2.988 0.018 . 1 . . . . . 70 LYS HE2 . 51870 1 760 . 1 . 1 72 72 LYS HE3 H 1 2.987 0.016 . 1 . . . . . 70 LYS HE3 . 51870 1 761 . 1 . 1 72 72 LYS C C 13 173.730 0.000 . 1 . . . . . 70 LYS C . 51870 1 762 . 1 . 1 72 72 LYS CA C 13 54.822 0.069 . 1 . . . . . 70 LYS CA . 51870 1 763 . 1 . 1 72 72 LYS CB C 13 36.065 0.003 . 1 . . . . . 70 LYS CB . 51870 1 764 . 1 . 1 72 72 LYS CG C 13 24.303 0.004 . 1 . . . . . 70 LYS CG . 51870 1 765 . 1 . 1 72 72 LYS CD C 13 29.830 0.118 . 1 . . . . . 70 LYS CD . 51870 1 766 . 1 . 1 72 72 LYS CE C 13 42.238 0.000 . 1 . . . . . 70 LYS CE . 51870 1 767 . 1 . 1 72 72 LYS N N 15 121.491 0.091 . 1 . . . . . 70 LYS N . 51870 1 768 . 1 . 1 73 73 ALA H H 1 8.776 0.006 . 1 . . . . . 71 ALA H . 51870 1 769 . 1 . 1 73 73 ALA HA H 1 5.013 0.011 . 1 . . . . . 71 ALA HA . 51870 1 770 . 1 . 1 73 73 ALA HB1 H 1 0.715 0.012 . 1 . . . . . 71 ALA HB1 . 51870 1 771 . 1 . 1 73 73 ALA HB2 H 1 0.715 0.012 . 1 . . . . . 71 ALA HB2 . 51870 1 772 . 1 . 1 73 73 ALA HB3 H 1 0.715 0.012 . 1 . . . . . 71 ALA HB3 . 51870 1 773 . 1 . 1 73 73 ALA C C 13 175.974 0.000 . 1 . . . . . 71 ALA C . 51870 1 774 . 1 . 1 73 73 ALA CA C 13 50.572 0.121 . 1 . . . . . 71 ALA CA . 51870 1 775 . 1 . 1 73 73 ALA CB C 13 20.147 0.072 . 1 . . . . . 71 ALA CB . 51870 1 776 . 1 . 1 73 73 ALA N N 15 124.590 0.042 . 1 . . . . . 71 ALA N . 51870 1 777 . 1 . 1 74 74 ILE H H 1 9.080 0.014 . 1 . . . . . 72 ILE H . 51870 1 778 . 1 . 1 74 74 ILE HA H 1 4.788 0.013 . 1 . . . . . 72 ILE HA . 51870 1 779 . 1 . 1 74 74 ILE HB H 1 1.966 0.010 . 1 . . . . . 72 ILE HB . 51870 1 780 . 1 . 1 74 74 ILE HG12 H 1 0.861 0.005 . 2 . . . . . 72 ILE HG12 . 51870 1 781 . 1 . 1 74 74 ILE HG13 H 1 1.229 0.013 . 2 . . . . . 72 ILE HG13 . 51870 1 782 . 1 . 1 74 74 ILE HG21 H 1 0.911 0.011 . 1 . . . . . 72 ILE HG21 . 51870 1 783 . 1 . 1 74 74 ILE HG22 H 1 0.911 0.011 . 1 . . . . . 72 ILE HG22 . 51870 1 784 . 1 . 1 74 74 ILE HG23 H 1 0.911 0.011 . 1 . . . . . 72 ILE HG23 . 51870 1 785 . 1 . 1 74 74 ILE HD11 H 1 0.851 0.014 . 1 . . . . . 72 ILE HD11 . 51870 1 786 . 1 . 1 74 74 ILE HD12 H 1 0.851 0.014 . 1 . . . . . 72 ILE HD12 . 51870 1 787 . 1 . 1 74 74 ILE HD13 H 1 0.851 0.014 . 1 . . . . . 72 ILE HD13 . 51870 1 788 . 1 . 1 74 74 ILE C C 13 174.232 0.000 . 1 . . . . . 72 ILE C . 51870 1 789 . 1 . 1 74 74 ILE CA C 13 59.037 0.000 . 1 . . . . . 72 ILE CA . 51870 1 790 . 1 . 1 74 74 ILE CB C 13 42.285 0.049 . 1 . . . . . 72 ILE CB . 51870 1 791 . 1 . 1 74 74 ILE CG1 C 13 26.667 0.063 . 1 . . . . . 72 ILE CG1 . 51870 1 792 . 1 . 1 74 74 ILE CG2 C 13 18.802 0.127 . 1 . . . . . 72 ILE CG2 . 51870 1 793 . 1 . 1 74 74 ILE CD1 C 13 14.026 0.080 . 1 . . . . . 72 ILE CD1 . 51870 1 794 . 1 . 1 74 74 ILE N N 15 115.776 0.046 . 1 . . . . . 72 ILE N . 51870 1 795 . 1 . 1 75 75 ASP H H 1 8.647 0.008 . 1 . . . . . 73 ASP H . 51870 1 796 . 1 . 1 75 75 ASP HA H 1 4.275 0.008 . 1 . . . . . 73 ASP HA . 51870 1 797 . 1 . 1 75 75 ASP HB2 H 1 2.959 0.013 . 2 . . . . . 73 ASP HB2 . 51870 1 798 . 1 . 1 75 75 ASP HB3 H 1 2.385 0.006 . 2 . . . . . 73 ASP HB3 . 51870 1 799 . 1 . 1 75 75 ASP C C 13 175.319 0.000 . 1 . . . . . 73 ASP C . 51870 1 800 . 1 . 1 75 75 ASP CA C 13 54.527 0.087 . 1 . . . . . 73 ASP CA . 51870 1 801 . 1 . 1 75 75 ASP CB C 13 39.710 0.218 . 1 . . . . . 73 ASP CB . 51870 1 802 . 1 . 1 75 75 ASP N N 15 122.442 0.045 . 1 . . . . . 73 ASP N . 51870 1 803 . 1 . 1 76 76 VAL H H 1 8.278 0.011 . 1 . . . . . 74 VAL H . 51870 1 804 . 1 . 1 76 76 VAL HA H 1 4.651 0.019 . 1 . . . . . 74 VAL HA . 51870 1 805 . 1 . 1 76 76 VAL HB H 1 1.723 0.013 . 1 . . . . . 74 VAL HB . 51870 1 806 . 1 . 1 76 76 VAL HG11 H 1 0.815 0.012 . 2 . . . . . 74 VAL HG11 . 51870 1 807 . 1 . 1 76 76 VAL HG12 H 1 0.815 0.012 . 2 . . . . . 74 VAL HG12 . 51870 1 808 . 1 . 1 76 76 VAL HG13 H 1 0.815 0.012 . 2 . . . . . 74 VAL HG13 . 51870 1 809 . 1 . 1 76 76 VAL HG21 H 1 0.678 0.010 . 2 . . . . . 74 VAL HG21 . 51870 1 810 . 1 . 1 76 76 VAL HG22 H 1 0.678 0.010 . 2 . . . . . 74 VAL HG22 . 51870 1 811 . 1 . 1 76 76 VAL HG23 H 1 0.678 0.010 . 2 . . . . . 74 VAL HG23 . 51870 1 812 . 1 . 1 76 76 VAL C C 13 175.033 0.000 . 1 . . . . . 74 VAL C . 51870 1 813 . 1 . 1 76 76 VAL CA C 13 62.730 0.010 . 1 . . . . . 74 VAL CA . 51870 1 814 . 1 . 1 76 76 VAL CB C 13 32.395 0.036 . 1 . . . . . 74 VAL CB . 51870 1 815 . 1 . 1 76 76 VAL CG1 C 13 21.554 0.077 . 2 . . . . . 74 VAL CG1 . 51870 1 816 . 1 . 1 76 76 VAL CG2 C 13 21.981 0.021 . 2 . . . . . 74 VAL CG2 . 51870 1 817 . 1 . 1 76 76 VAL N N 15 118.790 0.046 . 1 . . . . . 74 VAL N . 51870 1 818 . 1 . 1 77 77 SER H H 1 9.310 0.014 . 1 . . . . . 75 SER H . 51870 1 819 . 1 . 1 77 77 SER HA H 1 5.019 0.013 . 1 . . . . . 75 SER HA . 51870 1 820 . 1 . 1 77 77 SER HB2 H 1 4.249 0.013 . 2 . . . . . 75 SER HB2 . 51870 1 821 . 1 . 1 77 77 SER HB3 H 1 3.163 0.016 . 2 . . . . . 75 SER HB3 . 51870 1 822 . 1 . 1 77 77 SER C C 13 173.529 0.000 . 1 . . . . . 75 SER C . 51870 1 823 . 1 . 1 77 77 SER CA C 13 56.773 0.188 . 1 . . . . . 75 SER CA . 51870 1 824 . 1 . 1 77 77 SER CB C 13 68.387 0.104 . 1 . . . . . 75 SER CB . 51870 1 825 . 1 . 1 77 77 SER N N 15 123.573 0.043 . 1 . . . . . 75 SER N . 51870 1 826 . 1 . 1 78 78 GLY H H 1 8.842 0.009 . 1 . . . . . 76 GLY H . 51870 1 827 . 1 . 1 78 78 GLY HA2 H 1 3.819 0.018 . 1 . . . . . 76 GLY HA2 . 51870 1 828 . 1 . 1 78 78 GLY HA3 H 1 3.818 0.018 . 1 . . . . . 76 GLY HA3 . 51870 1 829 . 1 . 1 78 78 GLY C C 13 171.824 0.000 . 1 . . . . . 76 GLY C . 51870 1 830 . 1 . 1 78 78 GLY CA C 13 44.514 0.254 . 1 . . . . . 76 GLY CA . 51870 1 831 . 1 . 1 78 78 GLY N N 15 105.570 0.042 . 1 . . . . . 76 GLY N . 51870 1 832 . 1 . 1 79 79 PRO HA H 1 4.222 0.017 . 1 . . . . . 77 PRO HA . 51870 1 833 . 1 . 1 79 79 PRO HB2 H 1 1.804 0.021 . 2 . . . . . 77 PRO HB2 . 51870 1 834 . 1 . 1 79 79 PRO HB3 H 1 2.271 0.010 . 2 . . . . . 77 PRO HB3 . 51870 1 835 . 1 . 1 79 79 PRO HG2 H 1 1.886 0.012 . 2 . . . . . 77 PRO HG2 . 51870 1 836 . 1 . 1 79 79 PRO HG3 H 1 2.114 0.016 . 2 . . . . . 77 PRO HG3 . 51870 1 837 . 1 . 1 79 79 PRO HD2 H 1 3.797 0.014 . 2 . . . . . 77 PRO HD2 . 51870 1 838 . 1 . 1 79 79 PRO HD3 H 1 3.500 0.012 . 2 . . . . . 77 PRO HD3 . 51870 1 839 . 1 . 1 79 79 PRO C C 13 178.061 0.000 . 1 . . . . . 77 PRO C . 51870 1 840 . 1 . 1 79 79 PRO CA C 13 63.500 0.081 . 1 . . . . . 77 PRO CA . 51870 1 841 . 1 . 1 79 79 PRO CB C 13 31.817 0.036 . 1 . . . . . 77 PRO CB . 51870 1 842 . 1 . 1 79 79 PRO CG C 13 28.047 0.041 . 1 . . . . . 77 PRO CG . 51870 1 843 . 1 . 1 79 79 PRO CD C 13 49.550 0.184 . 1 . . . . . 77 PRO CD . 51870 1 844 . 1 . 1 80 80 ASP H H 1 9.304 0.011 . 1 . . . . . 78 ASP H . 51870 1 845 . 1 . 1 80 80 ASP HA H 1 4.366 0.003 . 1 . . . . . 78 ASP HA . 51870 1 846 . 1 . 1 80 80 ASP HB2 H 1 2.657 0.012 . 2 . . . . . 78 ASP HB2 . 51870 1 847 . 1 . 1 80 80 ASP HB3 H 1 2.953 0.018 . 2 . . . . . 78 ASP HB3 . 51870 1 848 . 1 . 1 80 80 ASP C C 13 176.117 0.000 . 1 . . . . . 78 ASP C . 51870 1 849 . 1 . 1 80 80 ASP CA C 13 55.223 0.038 . 1 . . . . . 78 ASP CA . 51870 1 850 . 1 . 1 80 80 ASP CB C 13 39.782 0.037 . 1 . . . . . 78 ASP CB . 51870 1 851 . 1 . 1 80 80 ASP N N 15 122.188 0.065 . 1 . . . . . 78 ASP N . 51870 1 852 . 1 . 1 81 81 GLY H H 1 7.601 0.007 . 1 . . . . . 79 GLY H . 51870 1 853 . 1 . 1 81 81 GLY HA2 H 1 4.001 0.010 . 2 . . . . . 79 GLY HA2 . 51870 1 854 . 1 . 1 81 81 GLY HA3 H 1 3.733 0.011 . 2 . . . . . 79 GLY HA3 . 51870 1 855 . 1 . 1 81 81 GLY C C 13 174.089 0.000 . 1 . . . . . 79 GLY C . 51870 1 856 . 1 . 1 81 81 GLY CA C 13 45.425 0.090 . 1 . . . . . 79 GLY CA . 51870 1 857 . 1 . 1 81 81 GLY N N 15 104.959 0.056 . 1 . . . . . 79 GLY N . 51870 1 858 . 1 . 1 82 82 ALA H H 1 7.174 0.005 . 1 . . . . . 80 ALA H . 51870 1 859 . 1 . 1 82 82 ALA HA H 1 4.437 0.011 . 1 . . . . . 80 ALA HA . 51870 1 860 . 1 . 1 82 82 ALA HB1 H 1 1.354 0.011 . 1 . . . . . 80 ALA HB1 . 51870 1 861 . 1 . 1 82 82 ALA HB2 H 1 1.354 0.011 . 1 . . . . . 80 ALA HB2 . 51870 1 862 . 1 . 1 82 82 ALA HB3 H 1 1.354 0.011 . 1 . . . . . 80 ALA HB3 . 51870 1 863 . 1 . 1 82 82 ALA C C 13 175.125 0.000 . 1 . . . . . 80 ALA C . 51870 1 864 . 1 . 1 82 82 ALA CA C 13 50.904 0.006 . 1 . . . . . 80 ALA CA . 51870 1 865 . 1 . 1 82 82 ALA CB C 13 18.026 0.059 . 1 . . . . . 80 ALA CB . 51870 1 866 . 1 . 1 82 82 ALA N N 15 125.249 0.044 . 1 . . . . . 80 ALA N . 51870 1 867 . 1 . 1 83 83 PRO HA H 1 4.486 0.013 . 1 . . . . . 81 PRO HA . 51870 1 868 . 1 . 1 83 83 PRO HB2 H 1 2.223 0.011 . 2 . . . . . 81 PRO HB2 . 51870 1 869 . 1 . 1 83 83 PRO HB3 H 1 1.845 0.017 . 2 . . . . . 81 PRO HB3 . 51870 1 870 . 1 . 1 83 83 PRO HG2 H 1 2.079 0.011 . 2 . . . . . 81 PRO HG2 . 51870 1 871 . 1 . 1 83 83 PRO HG3 H 1 1.971 0.009 . 2 . . . . . 81 PRO HG3 . 51870 1 872 . 1 . 1 83 83 PRO HD2 H 1 3.829 0.019 . 2 . . . . . 81 PRO HD2 . 51870 1 873 . 1 . 1 83 83 PRO HD3 H 1 3.595 0.015 . 2 . . . . . 81 PRO HD3 . 51870 1 874 . 1 . 1 83 83 PRO C C 13 177.798 0.000 . 1 . . . . . 81 PRO C . 51870 1 875 . 1 . 1 83 83 PRO CA C 13 62.808 0.071 . 1 . . . . . 81 PRO CA . 51870 1 876 . 1 . 1 83 83 PRO CB C 13 31.847 0.089 . 1 . . . . . 81 PRO CB . 51870 1 877 . 1 . 1 83 83 PRO CG C 13 27.848 0.058 . 1 . . . . . 81 PRO CG . 51870 1 878 . 1 . 1 83 83 PRO CD C 13 49.917 0.230 . 1 . . . . . 81 PRO CD . 51870 1 879 . 1 . 1 84 84 VAL H H 1 8.095 0.009 . 1 . . . . . 82 VAL H . 51870 1 880 . 1 . 1 84 84 VAL HA H 1 4.051 0.004 . 1 . . . . . 82 VAL HA . 51870 1 881 . 1 . 1 84 84 VAL HB H 1 2.409 0.013 . 1 . . . . . 82 VAL HB . 51870 1 882 . 1 . 1 84 84 VAL HG11 H 1 0.955 0.007 . 2 . . . . . 82 VAL HG11 . 51870 1 883 . 1 . 1 84 84 VAL HG12 H 1 0.955 0.007 . 2 . . . . . 82 VAL HG12 . 51870 1 884 . 1 . 1 84 84 VAL HG13 H 1 0.955 0.007 . 2 . . . . . 82 VAL HG13 . 51870 1 885 . 1 . 1 84 84 VAL HG21 H 1 0.788 0.009 . 2 . . . . . 82 VAL HG21 . 51870 1 886 . 1 . 1 84 84 VAL HG22 H 1 0.788 0.009 . 2 . . . . . 82 VAL HG22 . 51870 1 887 . 1 . 1 84 84 VAL HG23 H 1 0.788 0.009 . 2 . . . . . 82 VAL HG23 . 51870 1 888 . 1 . 1 84 84 VAL C C 13 175.803 0.000 . 1 . . . . . 82 VAL C . 51870 1 889 . 1 . 1 84 84 VAL CA C 13 62.465 0.066 . 1 . . . . . 82 VAL CA . 51870 1 890 . 1 . 1 84 84 VAL CB C 13 31.387 0.026 . 1 . . . . . 82 VAL CB . 51870 1 891 . 1 . 1 84 84 VAL CG1 C 13 21.685 0.237 . 2 . . . . . 82 VAL CG1 . 51870 1 892 . 1 . 1 84 84 VAL CG2 C 13 18.934 0.066 . 2 . . . . . 82 VAL CG2 . 51870 1 893 . 1 . 1 84 84 VAL N N 15 117.608 0.063 . 1 . . . . . 82 VAL N . 51870 1 894 . 1 . 1 85 85 GLN H H 1 9.898 0.010 . 1 . . . . . 83 GLN H . 51870 1 895 . 1 . 1 85 85 GLN HA H 1 4.166 0.014 . 1 . . . . . 83 GLN HA . 51870 1 896 . 1 . 1 85 85 GLN HB2 H 1 2.063 0.016 . 2 . . . . . 83 GLN HB2 . 51870 1 897 . 1 . 1 85 85 GLN HB3 H 1 1.997 0.016 . 2 . . . . . 83 GLN HB3 . 51870 1 898 . 1 . 1 85 85 GLN HG2 H 1 2.391 0.016 . 1 . . . . . 83 GLN HG2 . 51870 1 899 . 1 . 1 85 85 GLN HG3 H 1 2.391 0.016 . 1 . . . . . 83 GLN HG3 . 51870 1 900 . 1 . 1 85 85 GLN HE21 H 1 7.573 0.010 . 1 . . . . . 83 GLN HE21 . 51870 1 901 . 1 . 1 85 85 GLN HE22 H 1 6.856 0.012 . 1 . . . . . 83 GLN HE22 . 51870 1 902 . 1 . 1 85 85 GLN C C 13 178.066 0.000 . 1 . . . . . 83 GLN C . 51870 1 903 . 1 . 1 85 85 GLN CA C 13 57.430 0.152 . 1 . . . . . 83 GLN CA . 51870 1 904 . 1 . 1 85 85 GLN CB C 13 29.750 0.062 . 1 . . . . . 83 GLN CB . 51870 1 905 . 1 . 1 85 85 GLN CG C 13 34.100 0.155 . 1 . . . . . 83 GLN CG . 51870 1 906 . 1 . 1 85 85 GLN N N 15 122.837 0.081 . 1 . . . . . 83 GLN N . 51870 1 907 . 1 . 1 85 85 GLN NE2 N 15 112.733 0.067 . 1 . . . . . 83 GLN NE2 . 51870 1 908 . 1 . 1 86 86 GLY H H 1 8.854 0.009 . 1 . . . . . 84 GLY H . 51870 1 909 . 1 . 1 86 86 GLY HA2 H 1 3.795 0.009 . 2 . . . . . 84 GLY HA2 . 51870 1 910 . 1 . 1 86 86 GLY HA3 H 1 3.701 0.015 . 2 . . . . . 84 GLY HA3 . 51870 1 911 . 1 . 1 86 86 GLY C C 13 173.495 0.000 . 1 . . . . . 84 GLY C . 51870 1 912 . 1 . 1 86 86 GLY CA C 13 45.435 0.061 . 1 . . . . . 84 GLY CA . 51870 1 913 . 1 . 1 86 86 GLY N N 15 108.373 0.061 . 1 . . . . . 84 GLY N . 51870 1 914 . 1 . 1 87 87 ASN H H 1 8.157 0.012 . 1 . . . . . 85 ASN H . 51870 1 915 . 1 . 1 87 87 ASN HA H 1 4.763 0.017 . 1 . . . . . 85 ASN HA . 51870 1 916 . 1 . 1 87 87 ASN HB2 H 1 2.784 0.007 . 2 . . . . . 85 ASN HB2 . 51870 1 917 . 1 . 1 87 87 ASN HB3 H 1 2.689 0.016 . 2 . . . . . 85 ASN HB3 . 51870 1 918 . 1 . 1 87 87 ASN HD21 H 1 7.645 0.018 . 1 . . . . . 85 ASN HD21 . 51870 1 919 . 1 . 1 87 87 ASN HD22 H 1 6.940 0.014 . 1 . . . . . 85 ASN HD22 . 51870 1 920 . 1 . 1 87 87 ASN C C 13 176.077 0.000 . 1 . . . . . 85 ASN C . 51870 1 921 . 1 . 1 87 87 ASN CA C 13 52.881 0.356 . 1 . . . . . 85 ASN CA . 51870 1 922 . 1 . 1 87 87 ASN CB C 13 39.403 0.097 . 1 . . . . . 85 ASN CB . 51870 1 923 . 1 . 1 87 87 ASN N N 15 117.922 0.082 . 1 . . . . . 85 ASN N . 51870 1 924 . 1 . 1 87 87 ASN ND2 N 15 113.039 0.048 . 1 . . . . . 85 ASN ND2 . 51870 1 925 . 1 . 1 88 88 SER HA H 1 4.414 0.027 . 1 . . . . . 86 SER HA . 51870 1 926 . 1 . 1 88 88 SER HB2 H 1 3.894 0.021 . 1 . . . . . 86 SER HB2 . 51870 1 927 . 1 . 1 88 88 SER HB3 H 1 3.893 0.019 . 1 . . . . . 86 SER HB3 . 51870 1 928 . 1 . 1 88 88 SER C C 13 175.091 0.000 . 1 . . . . . 86 SER C . 51870 1 929 . 1 . 1 88 88 SER CA C 13 58.672 0.062 . 1 . . . . . 86 SER CA . 51870 1 930 . 1 . 1 88 88 SER CB C 13 63.768 0.052 . 1 . . . . . 86 SER CB . 51870 1 931 . 1 . 1 88 88 SER N N 15 116.882 0.148 . 1 . . . . . 86 SER N . 51870 1 932 . 1 . 1 89 89 GLY H H 1 8.450 0.006 . 1 . . . . . 87 GLY H . 51870 1 933 . 1 . 1 89 89 GLY HA2 H 1 4.011 0.024 . 1 . . . . . 87 GLY HA2 . 51870 1 934 . 1 . 1 89 89 GLY HA3 H 1 4.011 0.023 . 1 . . . . . 87 GLY HA3 . 51870 1 935 . 1 . 1 89 89 GLY C C 13 171.859 0.000 . 1 . . . . . 87 GLY C . 51870 1 936 . 1 . 1 89 89 GLY CA C 13 45.446 0.100 . 1 . . . . . 87 GLY CA . 51870 1 937 . 1 . 1 89 89 GLY N N 15 110.692 0.007 . 1 . . . . . 87 GLY N . 51870 1 938 . 1 . 1 90 90 GLY HA2 H 1 4.011 0.019 . 2 . . . . . 88 GLY HA2 . 51870 1 939 . 1 . 1 90 90 GLY HA3 H 1 4.020 0.021 . 2 . . . . . 88 GLY HA3 . 51870 1 940 . 1 . 1 90 90 GLY C C 13 174.650 0.000 . 1 . . . . . 88 GLY C . 51870 1 941 . 1 . 1 90 90 GLY CA C 13 45.443 0.118 . 1 . . . . . 88 GLY CA . 51870 1 942 . 1 . 1 91 91 GLY H H 1 8.318 0.014 . 1 . . . . . 89 GLY H . 51870 1 943 . 1 . 1 91 91 GLY HA2 H 1 4.001 0.012 . 2 . . . . . 89 GLY HA2 . 51870 1 944 . 1 . 1 91 91 GLY HA3 H 1 4.000 0.013 . 2 . . . . . 89 GLY HA3 . 51870 1 945 . 1 . 1 91 91 GLY C C 13 173.430 0.000 . 1 . . . . . 89 GLY C . 51870 1 946 . 1 . 1 91 91 GLY CA C 13 45.385 0.118 . 1 . . . . . 89 GLY CA . 51870 1 947 . 1 . 1 91 91 GLY N N 15 109.199 0.150 . 1 . . . . . 89 GLY N . 51870 1 948 . 1 . 1 92 92 SER H H 1 7.887 0.011 . 1 . . . . . 90 SER H . 51870 1 949 . 1 . 1 92 92 SER HA H 1 4.327 0.015 . 1 . . . . . 90 SER HA . 51870 1 950 . 1 . 1 92 92 SER HB2 H 1 3.868 0.018 . 1 . . . . . 90 SER HB2 . 51870 1 951 . 1 . 1 92 92 SER HB3 H 1 3.868 0.018 . 1 . . . . . 90 SER HB3 . 51870 1 952 . 1 . 1 92 92 SER C C 13 178.630 0.000 . 1 . . . . . 90 SER C . 51870 1 953 . 1 . 1 92 92 SER CA C 13 59.882 0.018 . 1 . . . . . 90 SER CA . 51870 1 954 . 1 . 1 92 92 SER CB C 13 64.945 0.000 . 1 . . . . . 90 SER CB . 51870 1 955 . 1 . 1 92 92 SER N N 15 121.211 0.091 . 1 . . . . . 90 SER N . 51870 1 stop_ save_